smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3OC)c2C(=O)OC)C1 688781 OYEDKILHKXYRLM-LLVKDONJSA-N 407.919 4.964 0 40 HJAB CC(=O)c1cc(F)c(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1C 707589 BDIYPMQAPIPKMZ-UHFFFAOYSA-N 409.288 4.606 0 40 HJAB Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1F 919467 OUGJFYLPPFVBNX-BBRMVZONSA-N 408.355 4.836 0 40 HJAB CC[C@H]1Oc2ccc(C(=O)n3nc(C)cc3C)cc2N(Cc2ccccc2Cl)C1=O 1328662 PRWQEBYOKVNBBN-HXUWFJFHSA-N 423.900 4.546 0 40 HJAB O=C(Nc1cccc(Br)c1)c1ccc(OC(=S)N2CCCCC2)cc1 1439253 AYZUIPAEHKQHHD-UHFFFAOYSA-N 419.344 4.851 0 40 HJAB CNC(=O)Oc1ccc(Sc2ccc(OC(=O)NC)c(Cl)c2)cc1Cl 1671489 YVWAXVNCSCWXQV-UHFFFAOYSA-N 401.271 4.581 0 40 HJAB CCOc1cccc(N(CCN(C)C)C(=O)C(c2ccccc2)c2ccccc2)c1 1758901 XBPVJHVQSKSPCJ-UHFFFAOYSA-N 402.538 4.812 0 40 HJAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccc(F)cc2)cc1 2206126 PVFZEXPBJVVRRR-UHFFFAOYSA-N 413.452 4.908 0 40 HJAB CCC[C@H]1Cc2c(sc3nc(SCC(=O)c4ccc(F)cc4)nc(N)c23)CO1 2235558 LKWJCIJKLVVFOP-ZDUSSCGKSA-N 417.531 4.629 0 40 HJAB CCOc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2N=CNC2=N3)cc1 2267690 COKQPBUCEUGRFT-JWQCQUIFSA-N 422.488 4.890 0 40 HJAB CCSc1nc(NCCN(CC)CC)c2c3c(sc2n1)CO[C@](C)(CC)C3 2414610 OFGIAPSPGBEBEQ-HXUWFJFHSA-N 408.637 4.798 0 40 HJAB CCC[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3OC)c2C(N)=O)C1 2762757 IPYLBHBEZHYORA-NSHDSACASA-N 406.935 4.666 0 40 HJAB CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccn(C(F)F)n5)nc4c23)C1 2797701 RTDRZYKVNLMOKO-JTQLQIEISA-N 402.474 4.749 0 40 HJAB COc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1OC 3153407 IIPDZNBFAAPZKG-QGMBQPNBSA-N 415.081 4.685 0 40 HJAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 3345974 IOJCAXYRPDLEBN-FQEVSTJZSA-N 412.411 4.685 0 40 HJAB CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 3864276 IDLBJAWSPQZDTF-CVEARBPZSA-N 415.511 4.810 0 40 HJAB Cc1c(CC(=O)NC[C@@H](C)c2ccccc2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 4089465 YLSWBRWAYNLSML-MRXNPFEDSA-N 419.521 4.667 0 40 HJAB biogenic O=C(Cn1cc(C(=O)c2ccccc2)c(=O)c2ccccc21)Nc1ccc(Cl)cc1 4316040 KHLRMLRLWXHYRE-UHFFFAOYSA-N 416.864 4.525 0 40 HJAB CCOc1ccc([C@H](CC(=O)O)NC(=O)C2c3ccccc3Oc3ccccc32)cc1 4581216 ZAHXGKQFRHRICV-FQEVSTJZSA-N 417.461 4.655 0 40 HJAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1N=CC[C@H]1c1ccccc1 4702743 YPFDYCMLSXZDJP-INIZCTEOSA-N 412.565 4.715 0 40 HJAB COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)c(Br)c(OC)c1OC 4727642 WJTQSTSKYOOTSX-UHFFFAOYSA-N 414.683 4.689 0 40 HJAB Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)Nc2ccccc2)c2ccccc2n1C 4734663 ULNNEQHETLXEPJ-VWLOTQADSA-N 409.489 4.671 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(Cc1ccco1)C(=O)Cc1cccs1 4848005 QDXRXWFBPNCQHB-HSZRJFAPSA-N 422.550 4.713 0 40 HJAB CCCCN(C(=O)Cc1cccs1)c1nnc(-c2cc(OC)cc(OC)c2)s1 4881228 IAZSMMXVVOFPTO-UHFFFAOYSA-N 417.556 4.660 0 40 HJAB CCCCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccco1 4882065 QWJZNVRFIOBTDO-UHFFFAOYSA-N 413.528 4.679 0 40 HJAB O=C1Nc2ccccc2[C@]12CC(c1ccc(F)cc1)=NC(=S)N2c1ccccc1 5800011 QOZFHCUZWPFFIM-HSZRJFAPSA-N 401.466 4.658 0 40 HJAB Cc1ccc(-c2csc(NC(=O)CSc3nc(-c4cccs4)n[nH]3)n2)cc1 6035354 WHTMAZDYHRZJRB-UHFFFAOYSA-N 413.553 4.696 0 40 HJAB CC1CCN(C(=S)c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)CC1 6348769 ICUCHVDSMUPXFC-UHFFFAOYSA-N 402.947 4.765 0 40 HJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)o1 6587862 NSVJYDACDRKFOG-UHFFFAOYSA-N 409.298 4.786 0 40 HJAB CC(C)c1nn2c(=O)cc(CSc3ccccc3NC(=O)C(C)(C)C)nc2s1 7007202 BLNDYCZALQDARZ-UHFFFAOYSA-N 416.572 4.551 0 40 HJAB C[C@H](NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1cc2ccccc2o1 7229906 KOGMPGONACTIFR-HNNXBMFYSA-N 418.522 4.860 0 40 HJAB COc1cc(CNCc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1cccs1 7539935 SQDXJPQBDGUMOI-UHFFFAOYSA-N 417.914 4.977 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnnn2C2CCCC2)c2ccccc2)c1 8230704 PCKZBRIESFMQQO-HXUWFJFHSA-N 407.543 4.877 0 40 HJAB Cc1c(Cl)cccc1-n1nc(C(=O)NCc2ccccc2)nc1-c1ccccc1 8476654 SNMKLXIOIOGSLU-UHFFFAOYSA-N 402.885 4.826 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@H]2C(=O)N1c1ccc(Cl)cc1 9234616 BLRJGWCBCDORJS-QHAWAJNXSA-N 422.843 4.530 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)[C@@H]1CCCN1C(=O)c1cccs1 9254285 ZXRDIVZZPRWDCA-SFHVURJKSA-N 423.563 4.604 0 40 HJAB Cc1c(C)n(-c2nccs2)c2ncn3nc(-c4ccc5ccccc5c4O)nc3c12 9420463 BBVRXHNFYDEOII-UHFFFAOYSA-N 412.478 4.667 0 40 HJAB CCSc1ncc(Cl)c(C(=O)Nc2nnc(SCc3ccccc3)s2)n1 9431777 ZJUXFQWDMODDJL-UHFFFAOYSA-N 423.976 4.638 0 40 HJAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1C 9827886 CWNINOUIUUJTKH-UHFFFAOYSA-N 422.506 4.795 0 40 HJAB COc1ccc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@@H]2c2ccc(C)cc2)cc1 10059786 YVWBZGLDWIYNMC-RPWUZVMVSA-N 424.504 4.976 0 40 HJAB O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1C[C@@H]1CCCO1 10145631 UIXYKQWYCKDDDR-HNNXBMFYSA-N 420.456 4.887 0 40 HJAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 10253610 JLGDVARFPXTGPJ-UHFFFAOYSA-N 419.506 4.664 0 40 HJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccccc2Cl)cc1 11117097 ZUZALZQOZIDTNT-PMACEKPBSA-N 413.930 4.856 0 40 HJAB COc1ccccc1CN1CCC[C@@H]([C@@H](NC(=O)c2ccccc2)c2nccs2)C1 12183396 MHLJWTHDLJMNJQ-IFMALSPDSA-N 421.566 4.535 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 12599763 GYVCNUQHCIVRGB-XBLGPDGASA-N 420.347 4.519 0 40 HJAB COc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc(OC)c1Br 12793381 UDTFMEPDVSAZBV-GFCCVEGCSA-N 422.344 4.997 0 40 HJAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1ccc(C)c(Cl)c1 12860411 IPMOQCNYMFVLMZ-UHFFFAOYSA-N 418.324 4.520 0 40 HJAB CN(C)C(=O)c1cccc(NC(=O)c2cccnc2Sc2ccc(Cl)cc2)c1 13002976 KAOPBVXSGKBBOK-UHFFFAOYSA-N 411.914 4.840 0 40 HJAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)CC2 13576667 AFCDQFMNNKOSHS-QWHCGFSZSA-N 424.324 4.924 0 40 HJAB CC[C@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714765 JLVMQLPRRDUCIM-LJQANCHMSA-N 422.978 4.955 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1C 14081813 JSFTWORXEHSTME-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)c(C)c1 14426542 SNGCBYIIWKANDS-CALCHBBNSA-N 414.571 4.531 0 40 HJAB Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)c(Cl)c1 14669264 VCKVGJCWHVVOOB-INIZCTEOSA-N 420.962 4.772 0 40 HJAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1F 16841445 KCSBGTVSERBNGR-UHFFFAOYSA-N 410.449 4.714 0 40 HJAB CCOc1ccc(NC(=O)CCc2csc(NC(=O)NC3CCCCC3)n2)cc1 16978764 MHRDCFYZIBUAKH-UHFFFAOYSA-N 416.547 4.567 0 40 HJAB Cc1cc(-c2cnc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc2C(C)C)on1 19121638 GIGJMWQHPMUNDQ-UHFFFAOYSA-N 422.504 4.651 0 40 HJAB CCn1nc2c(c1C(=O)NCCc1nc(-c3ccc(Cl)cc3)cs1)CCCC2 19524107 DRINOBRLALQPEJ-UHFFFAOYSA-N 414.962 4.531 0 40 HJAB COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccsc2)C1 19568963 NCCGPZKAXYQFCC-AUSIDOKSSA-N 421.566 4.535 0 40 HJAB FC(F)(F)c1cnc(N2CCC(c3ncnn3-c3ccccc3)CC2)c(Cl)c1 20218505 XOMUYQGUEPUHBI-UHFFFAOYSA-N 407.827 4.719 0 40 HJAB COc1ccc2nc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)sc2c1 22024716 CWOQNXNIWPHPRU-UHFFFAOYSA-N 409.492 4.871 0 40 HJAB O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1F 22197552 TZTIUVNQNHMVCA-UHFFFAOYSA-N 417.528 4.562 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCCC1 22521869 UXBDHEIAJOSYGS-IBGZPJMESA-N 400.906 4.762 0 40 HJAB COC(=O)c1ccc(CSc2nnc(C(C)C)c3cnn(-c4ccccc4)c23)o1 23137592 XCXVDLATSKKQQE-UHFFFAOYSA-N 408.483 4.611 0 40 HJAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cc3ccccc3nc2Cl)C1=O 23261900 UMWFONUWHOQLTC-NRFANRHFSA-N 414.292 4.899 0 40 HJAB O=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(Cc2ccccc2)CC1 26416829 ZARRXHHXXVKVQG-UHFFFAOYSA-N 415.562 4.709 0 40 HJAB O=C(c1cc(=O)c2cc(Cl)cc(Cl)c2o1)N(Cc1ccco1)C[C@@H]1CCCO1 27985605 UIWRATLEFSROOW-AWEZNQCLSA-N 422.264 4.514 0 40 HJAB CCCC[C@H](CC)c1nnc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)s1 28227198 PBUPBCULLNTJAW-HNNXBMFYSA-N 401.536 4.929 0 40 HJAB COc1ncccc1CNC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1 30304564 MDUXTYPOSZJYLA-XMMPIXPASA-N 417.534 4.517 0 40 HJAB COc1cc(CN(C(=O)c2nc(Cl)ccc2Cl)C2CC2)ccc1OC(F)F 31496614 DXUCIPRJOACJPK-UHFFFAOYSA-N 417.239 4.803 0 40 HJAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 32833760 ZAZDWRJSWQTCBT-UHFFFAOYSA-N 406.866 4.562 0 40 HJAB CCOc1ccc(C(=O)CCC(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1 40116318 UDIFBXUKCIDWMV-UHFFFAOYSA-N 420.484 4.985 0 40 HJAB Cc1ccc(CN(C(=O)CSc2nncn2-c2ccc(C(C)C)cc2)C(C)C)o1 40151007 HQEOFBXPRXVUOL-UHFFFAOYSA-N 412.559 4.821 0 40 HJAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 44408221 SPLRYQBIIXAWSV-SOLBZPMBSA-N 415.452 4.563 0 40 HJAB Cc1nc(N(C)Cc2nnc3n2CCCCC3)c2c(-c3ccccc3)csc2n1 48274668 MBUGGTCTPVCSEF-UHFFFAOYSA-N 404.543 4.621 0 40 HJAB Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccc2)c2c(C)noc2n1 58265714 GIGAGWVWAKTRCR-UHFFFAOYSA-N 400.360 4.901 0 40 HJAB COc1ccc(Cc2noc(C3(c4cccc(C(F)(F)F)c4)CCOCC3)n2)cc1 69972833 BAAHKRQYYXSTLV-UHFFFAOYSA-N 418.415 4.784 0 40 HJAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC[C@H]2CCCC[C@H]21 71794063 QYUCAMBOGOAFBE-RHSMWYFYSA-N 407.436 4.695 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1C[S@@](=O)Cc1coc(-c2cccs2)n1 71846933 LXKDIEVWBJXRNS-HHHXNRCGSA-N 417.943 5.000 0 40 HJAB CC[C@H](C)Sc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c(C)c1 84726697 QUSBHBHISJAHBU-RNVRALISSA-N 421.632 4.550 0 40 HJAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 96053055 WIABEZJQBFQXRW-LJQANCHMSA-N 410.583 4.668 0 40 HJAB O=C(NCc1ccccc1)c1ccc2onc(-c3csc(-c4cccnc4)n3)c2c1 96154415 FFVHLJHTGMISKY-UHFFFAOYSA-N 412.474 4.943 0 40 HJAB CCN(C(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl)[C@H]1CCCc2cccnc21 97105109 RUSVEAXHMBIXBB-CVTTXWKISA-N 400.954 4.835 0 40 HJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc(Cl)c4)[C@H]3C2=O)c1 101089510 GVADMOBWKCUKNK-FSSWDIPSSA-N 418.880 4.700 0 40 HJAB O=C(c1cncc(Br)c1)N1CCS[C@H](c2ccccc2Cl)CC1 211146736 TVHYHPSTPPXCSK-INIZCTEOSA-N 411.752 4.818 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 222544834 ZWZHGHKQQKYKOV-NRFANRHFSA-N 400.950 4.523 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2nccs2)c1C 222953242 ACFUEOUUYFHHJZ-MOPGFXCFSA-N 411.600 4.718 0 40 HJAB CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 223730095 NADNNFLATHLFCN-HXUWFJFHSA-N 412.549 4.530 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 224906701 DINQFGPYXJPNSX-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB CCOc1ccc(CNC(=S)Nc2cccc(Br)c2)cc1OCC 225527924 RWIRRZQYYVQVHH-UHFFFAOYSA-N 409.349 4.733 0 40 HJAB CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)[C@H]3Cc2ccccc2)[nH]n1 257248600 JEJHSKXBPKFBPZ-TYUWDEHNSA-N 420.601 4.622 0 40 HJAB Cc1csc2nc(SCC(=O)Nc3ccc(Cl)cc3Cl)nc(O)c12 408596518 QRMNIFZKCVFHCW-UHFFFAOYSA-N 400.312 4.743 0 40 HJAB CCc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc2ccccc12 408644028 DGGCHDADVQRWFA-UHFFFAOYSA-N 418.493 4.693 0 40 HJAB CC(=O)c1ccc2c3c(cccc13)C(=O)N(c1c(C)nn(-c3ccccc3)c1C)C2=O 408973829 CBAHCMVDHYZPPK-UHFFFAOYSA-N 409.445 4.646 0 40 HJAB CCCN1CCC(N(C)C(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)CC1 541012807 CIPJCHCTIOMARU-UHFFFAOYSA-N 410.345 4.903 0 40 HJAB Cc1cc(F)ccc1[C@H]1CCCN1C(=O)NCCc1ccc2c(c1)OC(F)(F)O2 1636590107 FSPXCTDDXXMJJV-QGZVFWFLSA-N 406.404 4.545 0 40 HJAB CCc1cccc(CC)c1NC(=O)CSc1nnc(CNc2ccc(C)cc2)n1C 649862 CKUCTNNMRAZDTA-UHFFFAOYSA-N 423.586 4.591 0 40 HJAB C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)Nc1ccccc1 900225 NWTBIIZJXWIGKI-KRWDZBQOSA-N 415.522 4.508 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)c(C)c1 1266374 BULYLAMJSPSDTN-UHFFFAOYSA-N 417.490 4.944 0 40 HJAB O=C(C1CCCCC1)N1CCN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1 1377046 ZUNYSQBAWFRFDN-UHFFFAOYSA-N 424.614 4.676 0 40 HJAB Cc1coc2cc3oc(=O)c(CCC(=O)NC4CC(C)(C)NC(C)(C)C4)c(C)c3cc12 2095682 AMWJMQAAENXRMS-UHFFFAOYSA-N 424.541 4.514 0 40 HJAB biogenic C[C@]1(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)CC1(Cl)Cl 2655420 GVCYLWYGRRSGDI-GOSISDBHSA-N 410.322 4.903 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)o2)c1 2720282 ZIJUYOPYGDDJGN-UHFFFAOYSA-N 408.508 4.899 0 40 HJAB C[C@@]1(C(=O)NC(=S)N(CCc2ccccc2)Cc2ccccc2)CC1(Cl)Cl 3281158 GZDXSNVIWTUKRU-FQEVSTJZSA-N 421.393 4.716 0 40 HJAB CCCCCCn1nc(C(=O)Nc2nc3c(s2)CCCC3)c2ccccc2c1=O 3336696 LCEUCKBEIDOIFU-UHFFFAOYSA-N 410.543 4.564 0 40 HJAB COc1cc(/C=C/C(=O)N(Cc2ccccc2)c2ccccc2)cc(OC)c1OC 3430928 LEHUOWGQXKCRBB-CCEZHUSRSA-N 403.478 4.959 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2Cc2ccco2)c1 5196264 NUANQGARFJDMDL-UHFFFAOYSA-N 418.522 4.934 0 40 HJAB CCc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1 6398705 OSNLSYHPRTZCTA-UHFFFAOYSA-N 401.462 4.849 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1Br 6570222 AEXOILYMVOSLRW-UHFFFAOYSA-N 414.097 4.566 0 40 HJAB CN(Cc1ccccc1)C(=O)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F 6878757 SSCYQUITHMYSFI-RDJZCZTQSA-N 420.460 4.877 0 40 HJAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 6881932 RGFWZUBRSZMCSL-LLVKDONJSA-N 414.720 4.544 0 40 HJAB CCN(CC)CCCn1c(-c2cccc(OC(F)(F)C(F)F)c2)n[nH]c1=S 6891349 QVOZZERBVAOKSV-UHFFFAOYSA-N 406.449 4.576 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(C)=O)cc3)cc2)cc1 7058926 JNNLTPBKTIKATL-UHFFFAOYSA-N 417.465 4.548 0 40 HJAB COc1ccccc1[C@H](CNC(=O)C(c1ccccc1)c1ccccc1)N1CCCC1 7671234 WZGYRNRRINVQQF-DEOSSOPVSA-N 414.549 4.780 0 40 HJAB Cc1ccc(CN2CCC(C(=O)NCCSCc3cccc(Cl)c3)CC2)cc1 9063113 DMGZCISCNGOYQT-UHFFFAOYSA-N 417.018 4.910 0 40 HJAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)cc1 9198982 FBBLKZFUOOPDOW-GOSISDBHSA-N 423.944 4.974 0 40 HJAB COc1cccc(C(=O)Nc2c(C(=O)c3ccc4c(c3)OCO4)oc3ccccc23)c1 9328379 QICVVKAWVAFPNW-UHFFFAOYSA-N 415.401 4.653 0 40 HJAB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)cc1Cl 9443734 XQTXNPOTAXTPGB-GOSISDBHSA-N 420.296 4.659 0 40 HJAB CC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(C)cc3)=NN12 10213819 CLYVXKSPYFNVQC-OAQYLSRUSA-N 409.917 4.531 0 40 HJAB O=C(COC(=O)c1ccc(COc2ccccc2)o1)Nc1cccc(Cl)c1Cl 10563951 HYHKGGFFFFQWBG-UHFFFAOYSA-N 420.248 4.961 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 11451134 MOOWLBSZSSGSDO-UHFFFAOYSA-N 407.495 4.734 0 40 HJAB Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c(N)n(Cc2cccc(Cl)c2)c1C 12372572 HSSBGFLYZPJLQH-UHFFFAOYSA-N 409.338 4.875 0 40 HJAB CC1=CC(C)(C)N2C(=O)[C@]3(SCC(=O)N3c3ccc(C)cc3)c3cc(C)cc1c32 14671889 BYZUJYIRFWZLIA-XMMPIXPASA-N 404.535 4.778 0 40 HJAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccn(Cc2ccccc2Cl)c1=O 15882803 HEHPGEZGNLYWHV-UHFFFAOYSA-N 424.781 4.960 0 40 HJAB COc1cc2c(cc1OC)CN(Cc1c(-c3ccc(F)cc3)[nH]c3ncccc13)CC2 19550733 JJNCWZBPUVVMPC-UHFFFAOYSA-N 417.484 4.945 0 40 HJAB CN(C)c1ncc(-c2cccc(Cl)c2)c(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)n1 19695102 DSRZABTVKSVFPK-GOSISDBHSA-N 424.976 4.925 0 40 HJAB COc1ccc(OCc2sc([C@@]3(O)CCCN(CC(C)(C)C)CC3)nc2C)cc1 19705276 ZLDZQMCAMRNOQI-HSZRJFAPSA-N 418.603 4.759 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1Br 20142378 WFIGZOIGESSAQQ-UHFFFAOYSA-N 416.271 4.852 0 40 HJAB COc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1-c1ccc(CO)o1 20151649 YXQLPWABPIAFBH-UHFFFAOYSA-N 424.522 4.698 0 40 HJAB CCOc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccc(OC)cc4)nc32)cc1 21801383 UTHMEJZQVJUBKX-UHFFFAOYSA-N 413.481 4.759 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)CNC(=O)c3ccccc3Cl)ccc21 21894601 XRGOKZMPXNMGGN-UHFFFAOYSA-N 405.885 4.836 0 40 HJAB COC(=O)c1c(NC(=O)CSCc2ccc(Cl)cc2)sc2c1CCCC2 24539314 DEUSOFOXXUUOAH-UHFFFAOYSA-N 409.960 4.939 0 40 HJAB C[C@@H]1CCc2nc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)sc2C1 24832045 YRSNOQLVWQRFSK-SNVBAGLBSA-N 424.423 4.864 0 40 HJAB COc1ccc(OCC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 29013090 CRVKWCXGCAWITJ-UHFFFAOYSA-N 408.401 4.855 0 40 HJAB COc1cc(CNCc2ccc(OC(F)(F)F)cc2)ccc1OCc1ccncc1 30629245 IORBLTQNBRQZEJ-UHFFFAOYSA-N 418.415 4.858 0 40 HJAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)N[C@@H](c1ccccc1)C1CCCCC1 32379818 DYXRRJFVRDNOCL-NRFANRHFSA-N 405.947 4.552 0 40 HJAB COc1ccc(C)cc1NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 32578547 INCFJYNGJWBLRM-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 32743480 PFKJWGOXHYCVNC-UHFFFAOYSA-N 423.778 4.568 0 40 HJAB Cc1oc2cc(OCC(=O)N(C)Cc3ccsc3)ccc2c(=O)c1-c1ccccc1 32907866 VZDJCGVPYGWIEE-UHFFFAOYSA-N 419.502 4.867 0 40 HJAB CC(=O)Nc1sc(NC(=O)COc2ccccc2Cl)nc1-c1ccc(C)cc1 35671518 NOMSFOXQNXDEGM-UHFFFAOYSA-N 415.902 4.748 0 40 HJAB CCn1nccc1CNc1nc(-c2ccc(Br)cc2)cc(C(F)F)n1 36613783 OKRLAJAFQKWYHW-UHFFFAOYSA-N 408.250 4.672 0 40 HJAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1ccc(-n2cccc2)cc1 49524315 SCAUKRAVFIXLIY-NRFANRHFSA-N 415.493 4.507 0 40 HJAB Cc1cc(=O)n(CC(=O)Nc2cccc(C(C)C)c2)c(Nc2ccc(F)c(C)c2)n1 57507825 AAJQRFOMYNWJRG-UHFFFAOYSA-N 408.477 4.505 0 40 HJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)NCc1ccccc1 57911355 PIXUEOAHCBGDTQ-INIZCTEOSA-N 408.523 4.709 0 40 HJAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CCCc3nc4ccccc4[nH]3)cc2)C1 57985866 NLPIPHDFOBYAIZ-BGYRXZFFSA-N 418.585 4.680 0 40 HJAB CC[C@H](NC(=O)N(Cc1ccc(C(=O)NC)cc1)C1CC1)C12CC3CC(CC(C3)C1)C2 58203048 FGGXUXHVUXUIMR-KROKWJMESA-N 423.601 4.715 0 40 HJAB O=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1 59483298 GJJZAGMLCUYKRO-UHFFFAOYSA-N 406.444 4.654 0 40 HJAB CCc1nnc2c(SCC(=O)Nc3ccc(C)cc3Cl)nc3ccccc3n12 64949155 MFLCVIOUZXZMPO-UHFFFAOYSA-N 411.918 4.533 0 40 HJAB COc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1 67289792 IFFQZPZAROPHFT-UHFFFAOYSA-N 418.522 4.753 0 40 HJAB COc1cc(OC)c2cc(C(=O)N3CCC[C@H](Cc4ccc(C)cc4)C3)[nH]c2c1OC 70006045 LOPMXJLZILRICP-GOSISDBHSA-N 422.525 4.597 0 40 HJAB CCCS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@@H]2[C@H](CC)c2ccccc2)c1 71844265 OEYVDVBDVBBOAE-FGZHOGPDSA-N 414.571 4.637 0 40 HJAB Cc1ccc([C@@H](CNc2ncnc3scc(-c4ccccc4)c23)N2CCOCC2)o1 71873523 JHPAIQQRUOFCNN-LJQANCHMSA-N 420.538 4.745 0 40 HJAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 72346231 HWDWNXGGPKTYQJ-HXUWFJFHSA-N 418.516 4.594 0 40 HJAB COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC(=O)[C@@H](C)c1ccccc1 95470995 NGYCXMLMLFCACX-KRWDZBQOSA-N 424.522 4.547 0 40 HJAB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1 100565910 GOYZKYVQWGNNAH-HBMCJLEFSA-N 422.843 4.530 0 40 HJAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccc3c(c2)OCCO3)C[C@H](c2cccs2)C1 102750981 OULKSYCWRVBARL-BUXKBTBVSA-N 422.466 4.531 0 40 HJAB COc1cc([C@H]2CC(c3c(O)oc(C)cc3=O)=Nc3ccccc3S2)ccc1O 137818805 GSXARWKBUWXWEH-HXUWFJFHSA-N 409.463 4.726 0 40 HJAB CCOC(=O)c1cn(Cc2cccc(C)c2)c2cc(C(F)(F)F)c(F)cc2c1=O 199801402 LDNXTBPGIDNADE-UHFFFAOYSA-N 407.363 4.693 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3C)cc2C)cc1 224001096 CRWHVURSAQIBCG-LJQANCHMSA-N 422.550 4.904 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 224052174 VBPOYBVUAPNMPG-SFHVURJKSA-N 414.977 4.831 0 40 HJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1C 224127604 YVOLYCRNLPHCJX-UHFFFAOYSA-N 404.713 4.529 0 40 HJAB CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224622127 PGJNRYCLEPXDTH-UHFFFAOYSA-N 424.733 4.879 0 40 HJAB CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 224737290 SRZZVKKJEBPOQW-UHFFFAOYSA-N 409.132 4.971 0 40 HJAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O 224858895 OJNANMURXFWONR-SJORKVTESA-N 401.944 4.988 0 40 HJAB CCOc1ccc(-c2noc(CN(C)C(=S)Nc3ccc(Cl)cc3)n2)cc1 225466638 HFSMUPMYENDGLR-UHFFFAOYSA-N 402.907 4.618 0 40 HJAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCN=C1Cc1cccc2ccccc12 231426686 GUYFUIQENRYQIR-UHFFFAOYSA-N 422.550 4.617 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1cnc(OC2CCOCC2)c(Cl)c1 238828885 FKRSDIWSKQXMJS-UHFFFAOYSA-N 400.784 4.564 0 40 HJAB O=C(c1cccc(OC(F)(F)F)c1)N1CCC(Oc2cccc3cccnc23)CC1 238915143 SLWMGSCQXOKIGP-UHFFFAOYSA-N 416.399 4.817 0 40 HJAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccccc1)CN(C(=O)c1ccccc1Cl)CCO2 257261013 LFKICHRZENZSRY-SSPYTLHUSA-N 413.945 4.985 0 40 HJAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4Cl)OCC[C@@]31C2 257339460 ZBVJOJWEFHXGGS-NTQHEYMJSA-N 409.929 4.514 0 40 HJAB COc1ccc(OC)c(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3)n2)c1 408699562 XVUJGHCKVXRMAE-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB Cc1cccc(C)c1NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 408736781 HTUFGLKPMLWLDT-JOCHJYFZSA-N 402.494 4.780 0 40 HJAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCCCCCC1)OCc1ccccc1 409000769 XUDXCKHUERFLFC-QHCPKHFHSA-N 408.542 4.753 0 40 HJAB COCCCN1C(=O)S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C1=O 409233951 ITFZGAUNEJQCQW-FOWTUZBSSA-N 410.417 4.569 0 40 HJAB NC(=O)/C=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 409416150 WQGMFUPXACNNMY-UTCJRWHESA-N 401.087 4.833 0 40 HJAB CN(CCOc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccccc2)CC1 500216451 ZAAJVYVGARKWGO-UHFFFAOYSA-N 407.341 4.609 0 40 HJAB COc1ccc(S(=O)(=O)n2nc(Nc3ccccc3)cc2Nc2ccccc2)cc1 575442803 BFVFAKRRGPAUMD-UHFFFAOYSA-N 420.494 4.616 0 40 HJAB O=C(NCc1cccc(OCC(F)(F)F)c1)Nc1ccn(-c2ccccc2Cl)n1 1669883262 AGZPBOHFBAFTJZ-UHFFFAOYSA-N 424.810 4.789 0 40 HJAB 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]3CC[C@@]21C 2061000370 GRQROVWZGGDYSW-FEFUHHCMSA-N 406.607 4.566 0 40 HJAB CC(C)N(C(=O)CSc1nc(COc2ccccc2)nc2ccccc12)C(C)C 1356113 NNNYBKWFBWNLCS-UHFFFAOYSA-N 409.555 4.946 0 40 HJAB Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1C1CCCCC1 2297567 OVZOBZRKZRNMBU-UHFFFAOYSA-N 413.525 4.644 0 40 HJAB CC(=O)c1ccc(NC(=O)COc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 2623004 XNPSWHFNHRBUTB-UHFFFAOYSA-N 421.453 4.718 0 40 HJAB Fc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)o2)c(F)c1 2788939 YUQCIRYSNGVNAA-UHFFFAOYSA-N 424.432 4.945 0 40 HJAB Cc1cc2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)n2c2ccccc12 3444896 RGOACMJTIJJKRS-LSDHHAIUSA-N 408.502 4.688 0 40 HJAB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OP(=O)(N1CC1)N1CC1 4026768 QCLKOEHQDXOBGN-PCEJQYDGSA-N 418.518 4.643 0 40 HJAB biogenic Cc1cccc2cc(CN(C(=S)NCc3ccccc3)C3CCCC3)c(=O)[nH]c12 4131867 FTRIMPDUUJYKJL-UHFFFAOYSA-N 405.567 4.656 0 40 HJAB COc1ccc(-c2noc(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)cc1 4512672 SSHGQZPNNMGTAH-UHFFFAOYSA-N 409.530 4.699 0 40 HJAB O=c1[nH]cnc2c1[C@@H](c1ccc(Br)cc1)c1c(ccc3ccccc13)O2 4663958 IUYNBWGZMQYIMO-KRWDZBQOSA-N 405.251 4.972 0 40 HJAB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2ccc(Cl)cc2)NC(=S)N1 4953318 BMAKMCLYFPFFCS-KRWDZBQOSA-N 406.338 4.733 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](Oc1ccc(C(C)=O)cc1OC)c1ccccc1 5194371 SXZXSBFPTPSOIU-DEOSSOPVSA-N 419.477 4.974 0 40 HJAB COc1ccc(-c2nc3c(c(SCC(=O)c4ccccc4)n2)COC(C)(C)C3)cc1 5305296 WUAGCCWIYNNWSO-UHFFFAOYSA-N 420.534 4.979 0 40 HJAB CCc1s/c(=N\c2ccc(Cl)c(C(F)(F)F)c2)n(C(C)=O)c1OC(C)=O 5375718 PQSQZUUAVQKUFJ-QNGOZBTKSA-N 406.813 4.602 0 40 HJAB CC(C)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 5477880 MOVYXAASYHGYPS-UHFFFAOYSA-N 403.511 4.670 0 40 HJAB Cc1cc2oc(=O)c3c(c2cc1OCC(=O)c1ccc(N2CCCC2)cc1)CCCC3 5547366 GMPSRECHLRZYPW-UHFFFAOYSA-N 417.505 4.842 0 40 HJAB Cc1cc(C)c(NC(=O)CN2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c(C)c1 5625870 CJRHHKZEIZMSCZ-UHFFFAOYSA-N 410.949 4.960 0 40 HJAB COc1cccc(-n2cnnc2SCc2ccc(C(=O)Nc3ccccc3)cc2)c1 5895067 UYPCTTNZSKGUDH-UHFFFAOYSA-N 416.506 4.821 0 40 HJAB CCOC(=O)CC[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 5952793 ZFVNCIMEWULGEX-FUQZVELYSA-N 420.634 4.956 0 40 HJAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 7362272 YBUDUTYCCCHUDI-MRXNPFEDSA-N 418.566 4.812 0 40 HJAB CCCCN1C(=O)CC[C@@H](C(=O)NC2CCCCCC2)[C@@H]1c1ccccc1OC 8193304 HEXWYJBOAWORJF-OFNKIYASSA-N 400.563 4.614 0 40 HJAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(C)cc2)o1 8317364 NYMYSLZUQYHSRI-OAHLLOKOSA-N 409.577 4.989 0 40 HJAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCC(N)=O)cc1 9095214 NHVGJMRJKUFZDN-RUZDIDTESA-N 409.489 4.564 0 40 HJAB O=c1[nH]c(CSc2nnc(-c3cccs3)n2C2CC2)nc2cc(Cl)ccc12 9862720 GJTZBUQMCZEWQQ-UHFFFAOYSA-N 415.931 4.524 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1cccc(NS(=O)(=O)c2ccccc2)c1 10357017 JFRNNHCTIPSRCH-UHFFFAOYSA-N 420.412 4.759 0 40 HJAB CCCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1 11915076 MYKMNVAGPSEHPO-UHFFFAOYSA-N 408.523 4.821 0 40 HJAB Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)c3ccncc3)cc2)on1 12159074 RXJHLJPRNWOPLV-UHFFFAOYSA-N 413.481 4.555 0 40 HJAB Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 12166907 ADYHPBDCMWNGBM-UHFFFAOYSA-N 421.255 4.663 0 40 HJAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)[C@H]3CC=CCC3)cc2n1 12230135 HTAFZCVTEOOLPE-YOEHRIQHSA-N 406.452 4.720 0 40 HJAB CC(C)(C)C(=O)N[C@@H](c1nccs1)C1CCN(Cc2cccc(F)c2F)CC1 12365697 GNYIVBSNHQSCFP-GOSISDBHSA-N 407.530 4.537 0 40 HJAB O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 12408207 RRXVUHBFJQNFRY-TZIWHRDSSA-N 409.530 4.666 0 40 HJAB O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@H]1COc2ccccc2O1 12749560 HEVQDLTULMDJLL-QGZVFWFLSA-N 420.412 4.531 0 40 HJAB COc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)c(OC)c1 12777995 BDHWDIKXBMTIPY-UHFFFAOYSA-N 413.477 4.868 0 40 HJAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCC[C@H]2c2cccs2)cs1 12985746 BODNMNBFANWBTL-FQEVSTJZSA-N 409.580 4.906 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CN2CCCC2)n3C)c1 13110978 ASSSPENVVLQIQS-UHFFFAOYSA-N 420.557 4.618 0 40 HJAB CC(C)Cn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nnc1-c1ccccc1F 13141712 MWVIQLJUDIYSJI-JTDSTZFVSA-N 418.582 4.773 0 40 HJAB Cc1nc(SCc2ccc(C(=O)Nc3ccccc3)cc2)c(C(N)=O)c(C)c1C 14125709 OHTIUVYXHDVTDW-UHFFFAOYSA-N 405.523 4.650 0 40 HJAB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)N[C@@H]1CCc2ccccc21 14683076 DTMSCYHTVNVXPH-IVYUTVGYSA-N 420.516 4.810 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1C 14862059 PAUFGBGRBLWQTN-UHFFFAOYSA-N 402.454 4.604 0 40 HJAB O=C(NN=C(c1ccccc1)c1ccccc1)c1cnn(Cc2ccccc2Cl)c1 15554188 OOSKIXUBPRKHNV-UHFFFAOYSA-N 414.896 4.767 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(Br)cc2)cc1 15574598 XIYSIVSQHUBQTG-SFHVURJKSA-N 406.345 4.914 0 40 HJAB Cc1cc(Cc2ccccc2F)cc(C2CCN(C(=O)CC[C@H]3CCCO3)CC2)n1 19691814 VJRKWJWSXDQPHR-JOCHJYFZSA-N 410.533 4.785 0 40 HJAB O=C(O)COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1-c1nc2ccccc2o1 20157972 JAFWEZLTBVFIBI-UHFFFAOYSA-N 422.824 4.864 0 40 HJAB CS(=O)(=O)Nc1ccc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2)cc1 23662901 UKKHVWNHSAYMMD-DTQAZKPQSA-N 408.479 4.502 0 40 HJAB COc1cc(CNC(=O)c2ccc(C(F)(F)F)nc2)ccc1OCc1ccccc1 25588779 QVONZCKXLINIQG-UHFFFAOYSA-N 416.399 4.618 0 40 HJAB COc1ccc(N(Cc2ccco2)C(=O)COc2ccc(Br)cc2)cc1 27795677 NHFHZQNSMBCKLF-UHFFFAOYSA-N 416.271 4.663 0 40 HJAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 27912266 FFYPSEBSUAZRPN-SNVBAGLBSA-N 406.294 4.595 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 32093708 HFXZUDUYMCPHJV-INIZCTEOSA-N 400.360 4.740 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)n[nH]2)cc1 35317082 LWLUTRYEUPOGNL-KRWDZBQOSA-N 404.514 4.712 0 40 HJAB COCc1nn2c(C)c(C(=O)Nc3cccc(Cl)c3)cnc2c1-c1ccc(F)cc1 36125607 ZZZIHWRVICZQLV-UHFFFAOYSA-N 424.863 4.896 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@H](C)c1ccccc1OC(F)F 40133051 QSAAERTXDKIPCK-CYBMUJFWSA-N 417.431 4.650 0 40 HJAB O=C1S/C(=C\c2ccc(-c3cc[nH]n3)o2)C(=O)N1c1cccc(C(F)(F)F)c1 40556508 KZCAZITXRBVVMV-DHDCSXOGSA-N 405.357 4.929 0 40 HJAB COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)n2)c1 72357989 RMPOIUNZLSLHBQ-XMMPIXPASA-N 404.485 4.726 0 40 HJAB COc1ccccc1CN1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 72369964 RXESIRYGLDESHX-MRXNPFEDSA-N 403.404 4.754 0 40 HJAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)CCc2ccccc2)n1 72376900 KZHSAFSDOOQXRP-NRFANRHFSA-N 404.489 4.551 0 40 HJAB Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccncc2)Cc2ccc(C(C)C)cc2)on1 72395065 AERHCBWOXABGBK-ILBGXUMGSA-N 405.542 4.761 0 40 HJAB CSc1cccc(NC(=O)NC2(c3nc(-c4cccnc4)no3)CCCCC2)c1 77197469 ZJZKALVIHGHTFW-UHFFFAOYSA-N 409.515 4.835 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1C[S@@](=O)Cc1cc(-c2ccccc2)on1 84017175 ZBWYSBFMPPSUSF-MUUNZHRXSA-N 411.914 4.938 0 40 HJAB O=C(Cc1coc(-c2cccs2)n1)N[C@@H](Cc1cccc(O)c1)c1ccccc1 84522586 YOJHFYWMQKLGAJ-FQEVSTJZSA-N 404.491 4.751 0 40 HJAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccc(F)cc1)CC2 96037034 ZQBLSJYALSVBHO-UHFFFAOYSA-N 404.533 4.516 0 40 HJAB CCC(=O)OC[C@@]12CO[C@@H](c3ccccc3OC(=O)CC)[C@H](C(C)=C[C@@H]1C)[C@@H]2C 100571484 SILOCWNFXQCZOK-VJCKVCRQSA-N 400.515 4.861 0 40 HJAB C[C@@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 103005117 BHIBQOONCFCENX-PDOZGGDVSA-N 401.522 4.510 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C(=O)O)cc3)N21 222708929 LZYVFQPTGVJUOK-TYCQWZJGSA-N 418.522 4.550 0 40 HJAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(Oc3ccccc3)c2)cc1Cl 223733102 VYIGQXPWKCZBDO-UHFFFAOYSA-N 417.914 4.962 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C 224051923 QQJLOIMIDTYLNI-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)c1 224278863 KIRBWFIXNIDZMD-LJQANCHMSA-N 414.977 4.689 0 40 HJAB CCc1ccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)c(Br)c1 224505702 XUJPLKJOIJJILP-UHFFFAOYSA-N 416.237 4.726 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1nccs1 225008180 RUKQKPVXGXBVQT-PMACEKPBSA-N 423.611 4.861 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 225162928 PHERXWMDPJSSPW-NRFANRHFSA-N 418.940 4.664 0 40 HJAB Cn1c(/C=C2/SCCN2C(=O)c2cccc(C(F)(F)F)c2)nc2ccccc21 225236971 YBBVEHNFOYKLNO-LDADJPATSA-N 403.429 4.780 0 40 HJAB FC(F)(F)c1cccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)c1 225820446 MJFSFCIZBWBYOW-UHFFFAOYSA-N 412.824 4.895 0 40 HJAB O=C(CSCc1ccccc1Br)NCCSC1CCCCC1 409028191 IOMJOUBHCUBTFD-UHFFFAOYSA-N 402.423 4.864 0 40 HJAB CC(C)[C@@H](NC(=O)NCCc1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 642343232 DMWDBBYWDZBYHZ-GOSISDBHSA-N 404.436 4.821 0 40 HJAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1 667162 SRHWOMMTLCCRNK-IBGZPJMESA-N 422.550 4.606 0 40 HJAB O=C(Cn1nnc(-c2ccccc2)n1)N(c1ccccc1)c1ccc2ccccc2c1 859823 WCIIMNACNOLRQF-UHFFFAOYSA-N 405.461 4.858 0 40 HJAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(OCc2ccccc2)cc1 880952 PQUQIFIMCWUDCV-UHFFFAOYSA-N 407.451 4.639 0 40 HJAB Cc1nc2sc3c(c2c2nc(-c4ccc(OC(C)C)cc4)nn12)CC(C)(C)OC3 2334685 UJKPDRRFUBMHSO-UHFFFAOYSA-N 408.527 4.953 0 40 HJAB CSc1nn(-c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)c(=S)s1 3324846 FPNRVLBPSMAXIF-UHFFFAOYSA-N 407.973 4.969 0 40 HJAB COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3C=O)[C@H](COC(C)=O)CC[C@@H]12 4073406 ZHHSQWXVDIXZCB-NWXGMGMZSA-N 418.530 4.600 0 40 HJAB biogenic Cc1ccc(CN2C(=O)[C@@](O)([C@H](C)C(=O)c3ccccc3)c3cc(Cl)ccc32)cc1 4555179 CGFKVWYQIACLEN-CRICUBBOSA-N 419.908 4.902 0 40 HJAB COc1ccc(Cn2c(=S)[nH]c3c(c2=O)C2(CCCC2)Cc2ccccc2-3)cc1 4663842 RNVFFFOLSZJBRZ-UHFFFAOYSA-N 404.535 4.998 0 40 HJAB CCOc1ccccc1Nc1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)s1 4843446 AZCANRVULTZDQN-KBPBESRZSA-N 406.577 4.562 0 40 HJAB COc1ccc(-c2cn3c(C)c(C(=O)N4c5ccccc5C[C@H]4C)sc3n2)cc1 4930966 PUACFSKIXNMSHT-CQSZACIVSA-N 403.507 4.971 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CCc1nc2ccccc2s1 4977701 PDSZEIMSWWMNRV-JFIYKMOQSA-N 403.544 4.776 0 40 HJAB COc1ccc(OCCSc2nnc(-c3cccc(Br)c3)o2)cc1 5262659 RDMSMWKONXAETO-UHFFFAOYSA-N 407.289 4.679 0 40 HJAB COc1ccc2nc(N(Cc3ccccn3)C(=O)CCc3ccccc3)sc2c1 5265129 XADDPMMSSZVHFR-UHFFFAOYSA-N 403.507 4.866 0 40 HJAB Cc1ccccc1CNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 5711660 NDGREHDGECTHID-RUZDIDTESA-N 416.546 4.699 0 40 HJAB CCc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2[C@@H](C)COC)cc1 5985113 ADABJAIWQLLCIU-HOTGVXAUSA-N 410.539 4.530 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl 6056219 NUEBBPVOXHOFHO-UHFFFAOYSA-N 410.297 4.951 0 40 HJAB CCCn1c(SCc2csc(C)n2)nc2ccc(Br)cc2c1=O 6141405 RXIQXISVDJPOHT-UHFFFAOYSA-N 410.362 4.626 0 40 HJAB Clc1ccc(C2=Nc3ccc(Br)cc3C(c3cccnc3)=NN2)cc1 6445076 LWAQQVWWDBWHPC-UHFFFAOYSA-N 411.690 4.931 0 40 HJAB COc1ccccc1Nc1nnc(SCc2nnc(-c3cccs3)o2)s1 6650277 OGZYIDYGBNKREO-UHFFFAOYSA-N 403.514 4.694 0 40 HJAB O=C(NC[C@H](c1cccs1)N1CCCC1)C1c2ccccc2Oc2ccccc21 7687013 QOQQNGWLXTUOQD-LJQANCHMSA-N 404.535 4.939 0 40 HJAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CC(c2ccccc2)c2ccccc2)c1 7796677 ZXLCBDDRIQOVNJ-UHFFFAOYSA-N 400.522 4.923 0 40 HJAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 7881868 JJTKORNAJUVOSH-JTQLQIEISA-N 413.688 4.647 0 40 HJAB Cc1cc(Br)ccc1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 8029026 RGPIXJPAXDQEEW-UHFFFAOYSA-N 404.239 4.518 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(CN3CCCC3=O)cc2)cc1 8724271 CHGHASIIOJWCPB-HSZRJFAPSA-N 406.526 4.575 0 40 HJAB CCCOc1c(Br)cc(C(=O)Nc2cc(OC)cc(OC)c2)cc1OC 8855986 AXYBMZKJCBRYNF-UHFFFAOYSA-N 424.291 4.516 0 40 HJAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 9062080 ZINBTMBJXPLVII-UHFFFAOYSA-N 424.416 4.987 0 40 HJAB O=C(COc1ccc2ccccc2c1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 9391608 GARXCDJGWDEFCH-UHFFFAOYSA-N 419.481 4.929 0 40 HJAB Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C1=O 9462831 BSNNENDIYSJYIY-AQNXPRMDSA-N 424.909 4.761 0 40 HJAB COc1cc2c(cc1NC(=O)COC(=O)[C@@]1(C)CC1(Cl)Cl)oc1ccccc12 9631215 PQPDAUGRHONLRV-LJQANCHMSA-N 422.264 4.660 0 40 HJAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(N)n(CCc2ccc(Cl)cc2)c1C 12372589 CXFDACSVDNYTQZ-UHFFFAOYSA-N 406.910 4.555 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccn2)N1Cc1ccccc1Cl 12523375 JDCYMCWCPMWCCT-HXUWFJFHSA-N 402.837 4.587 0 40 HJAB COc1cc2nc(CSc3cc(C)c4cc(C)cc(C)c4n3)[nH]c(=O)c2cc1OC 12565387 YGPFEBHRUPJTSZ-UHFFFAOYSA-N 421.522 4.706 0 40 HJAB O=C(CCc1nc(-c2ccsc2)no1)NCc1ccc(Oc2ccc(F)cc2)cc1 12858098 YLSVUHNPSFZEDM-UHFFFAOYSA-N 423.469 4.979 0 40 HJAB O=C(N/C(=C\c1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1ccco1 13124258 WAJNGSGMCOPHFS-ATVHPVEESA-N 408.255 4.847 0 40 HJAB C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(=O)c1ccccc1 14044175 CHMFNJNVLBKFGH-QGZVFWFLSA-N 424.545 4.756 0 40 HJAB O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc12)NC(=O)c1ccccc1 14676216 BYLVKEIPJZIBMP-UHFFFAOYSA-N 423.494 4.546 0 40 HJAB O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)CC1 15175365 GATBBEVXWPGKRE-MDZDMXLPSA-N 417.336 4.562 0 40 HJAB O=C(CSCc1nc2ccccc2[nH]1)N1CCC[C@@H]1c1nc2ccccc2s1 15589893 CMKCDYCQNHGMCY-QGZVFWFLSA-N 408.552 4.770 0 40 HJAB COc1ccc(Cc2nc3ccccc3n2C[C@@H](O)COc2cc(C)ccc2C)cc1 15860788 IJUFDUTYXKOJSC-OAQYLSRUSA-N 416.521 4.692 0 40 HJAB O=C(NC1CC1)c1ccccc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 16015721 YFZITCMLBUTJRW-UHFFFAOYSA-N 419.095 4.840 0 40 HJAB CCOc1ccc(NC(=O)c2sc3nc(Cc4ccccc4)[nH]c(=O)c3c2C)cc1 16506480 HUQWGMSQICDFRH-UHFFFAOYSA-N 419.506 4.535 0 40 HJAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 20610415 IGDNPRKJASCWNT-HNNXBMFYSA-N 404.445 4.989 0 40 HJAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 22512890 IWBGZUNJUKLDER-MRXNPFEDSA-N 413.495 4.536 0 40 HJAB Cc1cc(C)c(NC(=O)CNC(=O)c2cc3c(s2)-c2ccccc2CC3)c(C)c1 23039828 MXZXPCNRGRWUIZ-UHFFFAOYSA-N 404.535 4.807 0 40 HJAB CN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(OCc2ccccc2)c1 28189007 ABJQUIVEYVPWBU-UHFFFAOYSA-N 405.479 4.649 0 40 HJAB C[C@H]1C[C@H](C)CN(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)C1 30754278 DEWYIADKEMBQMB-GJZGRUSLSA-N 403.419 4.711 0 40 HJAB Cc1nc(C2CC2)nc2sc(C(=O)N3CCCN(Cc4ccccc4)CC3)c(C)c12 30801331 XXHFYNXCFRVOLR-UHFFFAOYSA-N 420.582 4.534 0 40 HJAB Cc1c(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)sc2nc(C(F)(F)F)ccc12 31479245 IUZYHOXKVMYNNR-PHIMTYICSA-N 414.449 4.570 0 40 HJAB CCN(CC)[C@@H](CNC(=O)Cc1coc(-c2ccccc2)n1)c1ccccc1Cl 32317244 VWJJUWCYDGTIIY-NRFANRHFSA-N 411.933 4.737 0 40 HJAB CCn1c(=O)n(CC)c2cc(NC(=O)CSc3cccc4ccccc34)ccc21 33607687 SQALHDRLQKHLPK-UHFFFAOYSA-N 405.523 4.727 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccn1 35289298 FIGFDBFEZQDYKW-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB CCOc1ccccc1N1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1 36211994 MDNGKNPNURQZRM-UHFFFAOYSA-N 415.537 4.572 0 40 HJAB C[C@H](CCC(=O)O)[C@H]1CC[C@@H]([C@@H]2CC[C@@H]3CCCC[C@]3(C)[C@@H]2C(=O)O)[C@@]1(C)C(=O)O 36372187 YNMXEGGDGUBZKG-FPLTUHIYSA-N 422.562 4.912 0 40 HJAB CCOc1cc(CN[C@@H](C)C(C)(C)C)ccc1OCC(=O)N[C@@H](C)c1ccccc1 36612638 SBADCTQNEPPYJN-OALUTQOASA-N 412.574 4.866 0 40 HJAB Cc1occc1C(=O)Nc1nc(CC(=O)N[C@@H](C)c2cccc3ccccc23)cs1 40130512 IVGSYMFBNXOVJK-AWEZNQCLSA-N 419.506 4.870 0 40 HJAB Cc1sc(NC(=O)CCc2ccc(O)cc2)nc1-c1ccc(OC(F)F)cc1 40156176 HCCFTDXHTALOLA-UHFFFAOYSA-N 404.438 4.997 0 40 HJAB Cc1cccc(NC(=O)c2ccc(Oc3ccc(F)cc3Br)nc2)n1 44908723 IZJDPHNKMXTPHU-UHFFFAOYSA-N 402.223 4.731 0 40 HJAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2c(c1)[C@H]1CCCCC[C@@H]1N2 57841202 QLELVRFKHQWRAB-XLIONFOSSA-N 416.525 4.726 0 40 HJAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(F)ccc2F)n1 67297914 JGVRWELMWCNPBO-ROMGYVFFSA-N 407.376 4.605 0 40 HJAB CC(=O)N1CCCCC[C@@H]1C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 69770136 JQHVYOCUVWWBHI-QGZVFWFLSA-N 403.876 4.761 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(C)C)cc3)c2)cc1 71962299 XEIRWCXSMICXGW-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCN2C(=O)Cc2cccc(C)c2)n1 72390716 CVFGQCFJYAKNDG-OAQYLSRUSA-N 418.541 4.916 0 40 HJAB CN(C)CCN(Cc1cccs1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 79054314 MJAJXFNCGQJWFS-UHFFFAOYSA-N 411.552 4.822 0 40 HJAB NC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 95465134 QBIWZEGHVKJQOR-JKSUJKDBSA-N 411.893 4.619 0 40 HJAB COCc1ccc([C@H]2CCCN2C(=O)c2cc3cc(Br)ccc3o2)o1 97147914 KZQRRCHFVFSDOQ-OAHLLOKOSA-N 404.260 4.912 0 40 HJAB Cc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1C 98212655 VSGZTSITBDQKKZ-UHFFFAOYSA-N 408.933 4.746 0 40 HJAB O=C(CSc1nc2ccccc2o1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219308980 SJHUNPUZHYSPGI-GOSISDBHSA-N 420.506 4.905 0 40 HJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219382633 AUASFTVTWUAQHD-SFHVURJKSA-N 413.905 4.823 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 223087379 SXGTUSKUZWSORI-LJQANCHMSA-N 424.585 4.522 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 223656128 XOHOQOGPYFKKCW-QFIPXVFZSA-N 412.599 4.811 0 40 HJAB CCCC[C@@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 223930140 YIQQWKPPKHCZJY-GOSISDBHSA-N 402.560 4.742 0 40 HJAB COc1cc(C)c(S(=O)(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1C 224190564 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CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 225666781 PQWJTYSHAUGMHH-HRAATJIYSA-N 418.940 4.744 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)c(C)c1 225864716 VJEIJKKUWWFOBH-UHFFFAOYSA-N 412.555 4.936 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1NC(=O)c1ccccc1 408559763 YQRCECUSXZLXEC-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1 409122929 CMYPBFUCYQLCIE-UHFFFAOYSA-N 409.382 4.884 0 40 HJAB CCN1C(=O)S[C@H](Cc2ccccc2OCc2ccc(Br)cc2)C1=O 409162403 VCEUHRDOKFXIKE-QGZVFWFLSA-N 420.328 4.655 0 40 HJAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 409173828 KQIYIIMQLFOANJ-FPXKJXHESA-N 424.522 4.847 0 40 HJAB Cc1cnc(CN2CCC[C@H](c3cccc(-c4cnc5ccc(Cl)cn45)n3)C2)cn1 585262836 KXGJIAUYXVLTCY-KRWDZBQOSA-N 418.932 4.528 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(Br)c2)o1 849780 XTTFUESWMHMYDL-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB Cc1ccc(NC(=O)c2ccc(CSc3nnnn3-c3ccccc3)cc2)c(C)c1 1083516 QBXJSJLASXAKTI-UHFFFAOYSA-N 415.522 4.824 0 40 HJAB CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCCc1ccccc1 1341149 QWLFLBIFDVYPMY-UHFFFAOYSA-N 416.525 4.939 0 40 HJAB CCOc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3cccc(OC)c3)no2)C1 1362477 GPFDMXSEBSVILD-KRWDZBQOSA-N 422.485 4.555 0 40 HJAB Cc1cc(C)n(Cc2ccc(Cl)c(Cl)c2)c(=O)c1S(=O)(=O)c1ccccc1 1401305 HELKTKKWHUHRBQ-UHFFFAOYSA-N 422.333 4.653 0 40 HJAB CCOC(=O)c1cc(-c2cc(C(=O)OCC)c3ccccc3n2)nc2ccccc12 1622212 MHTKEFREHDUDMW-UHFFFAOYSA-N 400.434 4.803 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(O)c2)N1Cc1ccccc1Cl 2703989 MKUNBSPNOSMVJN-OAQYLSRUSA-N 417.848 4.897 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c1C 2726487 TXNUPOCEGVXQDS-UHFFFAOYSA-N 420.494 4.650 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3234808 REOANQGBOQHHLX-QWRGUYRKSA-N 411.342 4.671 0 40 HJAB COc1cccc(OC)c1C(=O)NCCc1sc(-c2ccc(Cl)cc2)nc1C 5108266 QOIZTWMTANWVFN-UHFFFAOYSA-N 416.930 4.762 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269323 SEJPRNSHZVLREB-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB C[C@@H](OC(=O)c1c(F)cccc1Cl)C(=O)Nc1nc(-c2ccccc2)cs1 5872274 SRZVORJREMKIAQ-LLVKDONJSA-N 404.850 4.787 0 40 HJAB COc1ccc(OC)c(-c2csc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)c1 6628317 YNTUROSLTUIKCE-LBPRGKRZSA-N 418.902 4.887 0 40 HJAB CC(C)(C)NC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 6721406 HVLPQFCBIAICTH-UHFFFAOYSA-N 403.404 4.778 0 40 HJAB Cc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)cc1 6752871 LFMIQZVWJQTVRT-RUZDIDTESA-N 409.489 4.879 0 40 HJAB aggregator O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CC=C(c2ccccc2)CC1 7692138 NFXQZKMJTUHYRY-UHFFFAOYSA-N 416.550 4.553 0 40 HJAB COc1ccc(-c2csc3ncnc(N(C)C[C@@H]4COc5ccccc5O4)c23)cc1 7780970 GYBQJAXBUXMDKO-QGZVFWFLSA-N 419.506 4.643 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)N(C)Cc2nc3ccccc3s2)c1 8264537 GMGQFGPEVUTBSY-UHFFFAOYSA-N 407.495 4.752 0 40 HJAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCc1cccc(Cl)c1 8708190 ZYWBHPTWVYGKMZ-UHFFFAOYSA-N 414.720 4.817 0 40 HJAB Cc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 8915482 PJMNPZUHEJBRHL-SFHVURJKSA-N 408.325 4.888 0 40 HJAB O=C(O)COc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 9235701 DFYFYADHWLIGBF-UDWIEESQSA-N 419.458 4.540 0 40 HJAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1Nc1ccccc1 9470861 NUGZYLHTYGLPCJ-UHFFFAOYSA-N 413.521 4.986 0 40 HJAB O=C(CCc1nc(-c2ccsc2)no1)N1CCC(c2nc3ccccc3s2)CC1 9783279 HAIYZWROUQSDGT-UHFFFAOYSA-N 424.551 4.747 0 40 HJAB O=C(NCc1ccccc1OC(F)(F)F)c1ccc(COCC(F)(F)F)cc1 9806111 WBHGCOZOQCINHI-UHFFFAOYSA-N 407.310 4.594 0 40 HJAB O=c1c2sc3ccccc3c2n(Cc2cccc(F)c2)c(=O)n1-c1ccc(F)cc1 9959517 LOXQNQKFYDWLHE-UHFFFAOYSA-N 420.440 4.694 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)[C@@]2(C)CC2(Cl)Cl)c2ccccc2)c1 10863558 MFXZSSYDDKMMEH-FXAWDEMLSA-N 420.292 4.696 0 40 HJAB Cc1cc(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)ccc1Cl 11692531 JHOVLGMISNVMRL-UHFFFAOYSA-N 423.900 4.942 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1CN1CCC[C@](O)(c2ccc(F)cc2)CC1 12251892 IDYGOPWGYZVRBG-RUZDIDTESA-N 407.533 4.561 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)c1 12674537 QTAQJABEKHOJFB-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C)C(=O)Nc1cccc2ccccc12 12903568 KQFCJXVMVYJBPK-LJQANCHMSA-N 412.537 4.818 0 40 HJAB O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1cc(F)cc(F)c1 12926682 PILINEXBGHISNW-UHFFFAOYSA-N 402.832 4.855 0 40 HJAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)Nc1cccc(Br)c1 12981727 AEEOFCFTJDDJHX-IBGZPJMESA-N 419.319 4.967 0 40 HJAB CCOc1ccc(-c2nc(-c3ccc(CCNC(C)=O)s3)cs2)cc1OC 14102994 BVDPGMGHANXGNU-UHFFFAOYSA-N 402.541 4.625 0 40 HJAB O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccccc1CN1CCCC1 14160886 MCJCPZHYLYYUMQ-UHFFFAOYSA-N 406.501 4.931 0 40 HJAB CCn1c(-c2ccco2)nn(CN2CCC[C@@H]2c2cc(OC)ccc2OC)c1=S 14185883 VLNNYRSRXCLPCS-QGZVFWFLSA-N 414.531 4.506 0 40 HJAB COC(=O)CCCCCn1c(SCc2cccc(C)c2)nc2ccccc2c1=O 14247598 UZLOYMNJOBVTQB-UHFFFAOYSA-N 410.539 4.731 0 40 HJAB COc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)ccc1OC(=O)c1ccco1 15261906 VOLIWUJMBYOXKE-YBEGLDIGSA-N 423.808 4.505 0 40 HJAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc3ccccc23)c(F)c1F 17087863 HPWRFJXCDLBHPX-UHFFFAOYSA-N 408.376 4.532 0 40 HJAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(C(C)C)ccc1O 17089483 BMMZNKAIWTULCU-UHFFFAOYSA-N 413.326 4.958 0 40 HJAB CCn1nc(C(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)c2ccccc2c1=O 19660859 YKXYPYBQTJEVID-UHFFFAOYSA-N 415.497 4.524 0 40 HJAB COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1c(F)cccc1Cl 22074786 KQJCQXKAGFDYIY-OAQYLSRUSA-N 415.892 4.890 0 40 HJAB COc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(-c2csc(C)n2)c1)C(C)C 23788177 WBTLWGHMBFGLHC-NRFANRHFSA-N 423.538 4.520 0 40 HJAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n(C2CCCCC2)c1C 24932695 JKTJOVBEBJHMTD-INIZCTEOSA-N 415.559 4.896 0 40 HJAB O=C(c1ccc(Cl)cc1F)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 25052548 VEXGSWDHEWJILY-UHFFFAOYSA-N 421.859 4.558 0 40 HJAB Cc1ccccc1NC(=O)COc1cccc(-c2noc(-c3cccc(F)c3)n2)c1 33327339 UUZWPDUMHXTTIF-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)no1 40112752 NJDLAOHHAZBVMO-INIZCTEOSA-N 411.527 4.949 0 40 HJAB O=C(Nc1ccccc1NC(=O)c1csc(-c2ccsc2)n1)c1ccncc1 40139115 KBDPCCLRNFFSJW-UHFFFAOYSA-N 406.492 4.771 0 40 HJAB CC(=O)Nc1cccc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c1 40313063 GVFFFBRJHCTWOI-UHFFFAOYSA-N 418.449 4.604 0 40 HJAB biogenic COc1ccc(C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2F)cc1 40485561 AAQLLTUMNPPBCJ-HSZRJFAPSA-N 403.453 4.930 0 40 HJAB COc1ccc(Nc2cc(C(=O)N3CCSCC3)nc3ccccc23)cc1Cl 44169709 ABXLRYIPQUTQFN-UHFFFAOYSA-N 413.930 4.829 0 40 HJAB C[C@H](N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 57405932 ACBAQSNJBWUMHR-CABCVRRESA-N 422.356 4.508 0 40 HJAB C[C@@H](Nc1ccc(Cl)c(C(N)=O)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 57993646 XMXPJXUBMDVIOG-MRVPVSSYSA-N 420.218 4.550 0 40 HJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(C)s2)C12CCCCC2 71282877 ZPVUNEROJIYEOK-RDTXWAMCSA-N 412.559 4.526 0 40 HJAB CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1ccccc1C(C)C 71327930 CITCFTHUTWTINZ-UHFFFAOYSA-N 417.553 4.986 0 40 HJAB COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc2c1OCO2 85412189 IDVRIMZEXLIAIE-IBGZPJMESA-N 415.515 4.695 0 40 HJAB Cc1ccc(-c2nc(S(=O)(=O)NCc3ccccc3)c(-c3ccccc3)o2)cc1 94992790 IGNZWWBXBUBIPG-UHFFFAOYSA-N 404.491 4.796 0 40 HJAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccc(C)s1)CC2 96037033 MEXAICBMYYCSIP-UHFFFAOYSA-N 406.599 4.747 0 40 HJAB CCc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(F)c3)no2)c1 98211384 GGZCXWRMZLUBNR-UHFFFAOYSA-N 420.444 4.554 0 40 HJAB Cc1nn(-c2ccccc2)c(O)c1[C@@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 100103199 UBOHQNHSSQYXPL-XMMPIXPASA-N 424.504 4.696 0 40 HJAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OC(C)C 106692531 DBJDKTDUOOVDBY-ODLFYWEKSA-N 401.459 4.858 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccnc4)c3C)N21 222682017 LAPFCBLMMRWYFI-VOQZNFBZSA-N 403.555 4.864 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 223237984 LSSSGYOOYKLYCB-IBGZPJMESA-N 414.977 4.833 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc3c(c1)CCCC3)CC(C)(C)O2 223266852 ZCKPQDPIVBIUJW-KSFYIVLOSA-N 409.526 4.760 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 223653069 BYLCATKPCAGXLK-QHCPKHFHSA-N 424.585 4.714 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 223732143 KVXJMVOOMCFBCM-DEOSSOPVSA-N 424.585 4.714 0 40 HJAB COCc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC 224402867 AYRKDZVCGVQBGC-UHFFFAOYSA-N 409.869 4.978 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 225164352 VBYBAGAPWVADOK-JOCHJYFZSA-N 412.599 4.562 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C 225218241 PAKYAFAKMYACSN-DEOSSOPVSA-N 424.560 4.933 0 40 HJAB COc1ccccc1[C@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 225670397 MLHLWPUIJVPTBQ-IBGZPJMESA-N 400.522 4.745 0 40 HJAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc(Br)cc1 225808162 KSVAPVDZOUNHAX-UHFFFAOYSA-N 406.667 4.724 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@]12C 253617363 VKYNIUNDLMIOEQ-XYRBMCRSSA-N 402.575 4.983 0 40 HJAB CNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)CC(C)(C)C)CC1 257199693 AANCUTKAUBEJSB-UHFFFAOYSA-N 412.599 4.749 0 40 HJAB CC(C)c1ccc(NC(=O)CN2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1 257222292 DSSITBDOODWRMY-RSXGOPAZSA-N 422.569 4.589 0 40 HJAB Cc1ccc(Oc2ccccc2C(=O)N(CCc2cccc(C)c2)CC(=O)O)cc1 257305511 SQIOMXHHIFPABR-UHFFFAOYSA-N 403.478 4.865 0 40 HJAB CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 408653942 FSMLEQAEXOSLIM-CABCVRRESA-N 416.315 4.921 0 40 HJAB COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1ccc(C)cc1 409092988 YJCOVIZKWBSONR-STZFKDTASA-N 420.509 4.808 0 40 HJAB O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)o1 409178827 PBXMHYLWEYAVQR-UHFFFAOYSA-N 418.232 4.861 0 40 HJAB Brc1cc(-c2nc3ccccc3s2)oc1I 409191462 IBEHPAHKQACABA-UHFFFAOYSA-N 406.042 4.923 0 40 HJAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 575844739 KMSGXJQVVLHEPE-UHFFFAOYSA-N 419.456 4.879 0 40 HJAB COc1ccccc1-c1ccccc1CN1CCC[C@@H]1c1ccc(CNC(C)=O)cn1 585261838 VGAVYXJTUKBZBU-RUZDIDTESA-N 415.537 4.730 0 40 HJAB COCC(=O)N1CCCCCCCNCc2cc(-c3cncc4ccccc34)ccc21 643574918 ALHNJCRKLOAIRE-UHFFFAOYSA-N 417.553 4.935 0 40 HJAB C[C]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]12CC[C@@H]1C(=C2C)C[C@H]2[C@@H]1CC=C1C[C@@H](O)CC[C@@]12C 1560410089 BHCMSMIYUWLQKF-BSKPZCHESA-N 410.622 4.960 0 40 HJAB Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CN(C)CC2CCCCC2)n1 2332241389 SHJIBJIEFHMZTR-BDTNDASRSA-N 408.590 4.735 0 40 HJAB COc1cc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)ccc1OC(C)C 662843 OYQHEXJZCVGVAO-CXUHLZMHSA-N 416.271 4.589 0 40 HJAB COc1ccc(CN(C(=O)c2ccco2)c2ccc(Br)cc2)cc1OC 873708 MZNNRQRZBGYIET-UHFFFAOYSA-N 416.271 4.906 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1 882030 FFYVNIXLLHLFMK-UHFFFAOYSA-N 417.490 4.939 0 40 HJAB CCOC(=O)c1sc(NC(=O)c2oc3ccccc3c2C)c(C(=O)OCC)c1C 1474135 YQOKAAOZZUUUIP-UHFFFAOYSA-N 415.467 4.717 0 40 HJAB Cc1cccc(OCc2ccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)o2)c1 2797153 YPFMUXLBWIKQHY-UHFFFAOYSA-N 422.448 4.611 0 40 HJAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)COc2ccccc2)c2ccccc21 4575577 OOKFBSGJFSTOAN-CLOONOSVSA-N 414.505 4.985 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)c(C)c1 5036713 NGNDUMGMBDBFOZ-UHFFFAOYSA-N 409.555 4.790 0 40 HJAB CCc1ccc(N2C(=O)N(Cc3cccc(C)c3)c3ccccc3S2(=O)=O)cc1 5043435 XCDZRQLHQHYLNU-UHFFFAOYSA-N 406.507 4.893 0 40 HJAB Cc1ccc(C(=O)Nc2c(C(=O)Nc3ccc4c(c3)OCO4)oc3ccccc23)cc1 5107107 XRKBGRNBZDEUBM-UHFFFAOYSA-N 414.417 4.975 0 40 HJAB CCN(CC)CCN(C(=O)Cc1ccccc1)c1nc2c(Cl)cccc2s1 5122052 CIZILMNDAKOOEL-UHFFFAOYSA-N 401.963 4.867 0 40 HJAB CN(C)CCCN(C(=O)CCOc1ccccc1)c1nc2c(Cl)cccc2s1 5122434 GYMRLNUJTKSKEX-UHFFFAOYSA-N 417.962 4.704 0 40 HJAB Cc1ccc(-n2ncc3c2ncn2nc(Cc4cccc5ccccc45)nc32)cc1C 5156308 OORGWXKWERPTHC-UHFFFAOYSA-N 404.477 4.824 0 40 HJAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2cc(C)ccc2C)cc1 5191389 QMRMWHQBABTUIB-RZFJZAQRSA-N 422.569 4.619 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccccc1)N(c1ccccn1)C3=O 5321701 KKSDJTKTOFWLCL-FQEVSTJZSA-N 402.837 4.900 0 40 HJAB O=c1c2ccccc2n2c(SCc3ccccc3F)nnc2n1Cc1ccccc1 5362792 UMNCSTBGHURXFO-UHFFFAOYSA-N 416.481 4.524 0 40 HJAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1 6213829 MFUWLRKQMDSEPB-UHFFFAOYSA-N 424.566 4.850 0 40 HJAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)CC(C)C 6546026 LUCQGQAHYCZQGK-UHFFFAOYSA-N 411.527 4.979 0 40 HJAB O=C(NC1CC1)[C@@H](Sc1nc2c(n1-c1ccccc1)CCCC2)c1ccccc1 6931895 WUYHHXHKBSVRIV-QFIPXVFZSA-N 403.551 4.863 0 40 HJAB Cc1cc(C)cc(N2C[C@@H](c3nc(-c4ccc(Br)cc4)no3)CC2=O)c1 7615845 YQFMPUKJACBPOK-HNNXBMFYSA-N 412.287 4.636 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c(Cl)c1 7803519 ZRGKVVHZSKIIKQ-UHFFFAOYSA-N 420.962 4.630 0 40 HJAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1Cl 7912451 PUJBVVDIBCEZCB-HZPDHXFCSA-N 401.938 4.751 0 40 HJAB CCCOc1ccccc1OCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8103343 UFVVUKAGJOLZTR-KRWDZBQOSA-N 410.539 4.870 0 40 HJAB Cc1nc(COc2ccc(C(=O)NCc3ccc(CN4CCCC4)cc3)cc2)cs1 8279422 BUYJFHUQEZKWEL-UHFFFAOYSA-N 421.566 4.556 0 40 HJAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCCC(C)C)c(OC)c1 8917240 DTNQFIMSNHONIY-JOCHJYFZSA-N 421.493 4.792 0 40 HJAB CCOc1ccc(N2C[C@H](CNC(=O)Nc3ccc(C(C)(C)C)cc3)CC2=O)cc1 9039585 PNJDXWDOEXSNDK-KRWDZBQOSA-N 409.530 4.557 0 40 HJAB CSCC[C@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 9219667 IEPXNSXWSJKAMW-KRWDZBQOSA-N 422.476 4.875 0 40 HJAB CC1(C)Cc2c(sc3ncn4nc(-c5ccccc5Br)nc4c23)CO1 9348053 NGPJZFFUKXDIBW-UHFFFAOYSA-N 415.316 4.620 0 40 HJAB O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cc(Cl)ccc1Cl 9639338 KYZFZURPFWVZRR-UHFFFAOYSA-N 423.609 4.638 0 40 HJAB CCN(CC)CCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1ccccc1 10233157 FHDQPHOLZUCQHN-HSZRJFAPSA-N 418.537 4.687 0 40 HJAB CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2cccs2)NC(=S)N1c1ccc(C)cc1 11553552 XEJJNGVNHVVUCQ-LJQANCHMSA-N 424.551 4.701 0 40 HJAB COc1cccc(OC)c1C(=O)N1CCC[C@@H](c2cc3c(C)c(OC)ccc3cn2)C1 12187852 VUZFBJQABXUKPN-GOSISDBHSA-N 420.509 4.589 0 40 HJAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccccc1N1CCCC1 12636736 XYANSENSEKTCMF-VWLOTQADSA-N 417.578 4.935 0 40 HJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(C)c3C)oc12 13138861 FTKWEKDXBQWKIM-FLFQWRMESA-N 405.479 4.999 0 40 HJAB COCCNC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 13686795 LSYRVSYHKNQUSY-UHFFFAOYSA-N 419.506 4.898 0 40 HJAB COc1ccccc1-c1noc(CSc2nnc(-c3cccs3)n2C2CC2)n1 14110076 LLYNDRRDTDRVDE-UHFFFAOYSA-N 411.512 4.692 0 40 HJAB CC(C)n1c(Sc2ncnc3c2cnn3C)nnc1-c1ccc(Cl)cc1Cl 14287070 AZXVPQZJGJNIEC-UHFFFAOYSA-N 420.329 4.661 0 40 HJAB COc1ccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 14427293 GCSSTMJQJCIMRN-UHFFFAOYSA-N 412.555 4.736 0 40 HJAB CCCCCc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)s1 14714616 NXASQUQGMRYDAA-UHFFFAOYSA-N 418.526 4.771 0 40 HJAB COc1cccc([C@@H]2CN(C(=O)C(C)(C)C)[C@H]3CCN(Cc4cccc(C)c4)C[C@H]32)c1 19235068 WIRLSNKDCQFIHK-SDHOMARFSA-N 420.597 4.866 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1Cl 20152309 ILJNPTGSLYZCMP-UHFFFAOYSA-N 417.701 4.780 0 40 HJAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1C 20196908 AADYWZLJFDXHNN-UHFFFAOYSA-N 401.919 4.970 0 40 HJAB CC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20453257 QWHRYNNINYZTMD-UHFFFAOYSA-N 424.522 4.666 0 40 HJAB O=C(Nc1ccccc1F)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20457297 ICYHMSBIXZDZIA-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N(C)C3CCCCC3)c2)cc1 20492631 YVBJSRURURBTBW-UHFFFAOYSA-N 420.962 4.854 0 40 HJAB CC(C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 20610424 NWYHZXRJNMCQBB-UHFFFAOYSA-N 404.445 4.701 0 40 HJAB COc1ccc(NC(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1OC 22679640 KOGNXWVFWCLVHZ-GOSISDBHSA-N 403.548 4.504 0 40 HJAB CC(C)c1ccccc1NC(=O)Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1 23138094 NMWHSBKXNVGTOH-UHFFFAOYSA-N 411.502 4.506 0 40 HJAB Cc1ccc(OCCC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1C 24565378 OKKZKMBZOFPMLE-QHCPKHFHSA-N 403.526 4.511 0 40 HJAB CCSc1nc2n(n1)[C@@H](c1ccco1)C(C(=O)Nc1cccc(C)c1C)=C(C)N2 28250523 UENBGIJDNIIGKH-SFHVURJKSA-N 409.515 4.528 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3OC(C)C)c2)cc1 32288024 MDNKWBGCPKELJZ-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB COc1ccccc1NC(=O)c1sc(=S)n2c1nc(O)c1ccc(Cl)cc12 33251367 WJVAHJJOVKQMFO-UHFFFAOYSA-N 417.899 4.898 0 40 HJAB CCn1nc(NC(=O)c2cc(C3CC3)nc3onc(-c4cccc(OC)c4)c23)cc1C 36619287 BIKKVYULXXTWPZ-UHFFFAOYSA-N 417.469 4.553 0 40 HJAB CCCc1nnsc1C(=O)Nc1nc(-c2ccc(Br)s2)cs1 36709411 DMXMMYMCBLOOIS-UHFFFAOYSA-N 415.363 4.690 0 40 HJAB CCN1CCN(c2ccc(NC(=O)N[C@H](C)c3cc4ccccc4o3)c(C)c2)CC1 40103852 FJQDJMXFKCKYKX-GOSISDBHSA-N 406.530 4.766 0 40 HJAB COc1ccccc1OCc1ccc(C(=O)NCc2csc(Br)c2)o1 40134179 MUULCLADZISUGM-UHFFFAOYSA-N 422.300 4.621 0 40 HJAB O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1cc(F)ccc1-c1ccccc1 44523465 GJMXKQPWXFHIDC-UHFFFAOYSA-N 402.425 4.789 0 40 HJAB COCCOc1cc(C)ccc1NC(=O)c1nn(-c2ccccc2)c2c1CCCCC2 48300021 JYAKGNMBILVUIT-UHFFFAOYSA-N 419.525 4.727 0 40 HJAB CCc1cc(=O)n(CC(=O)Nc2ccc(Cl)cc2F)c(-c2cccc(Cl)c2)n1 57527659 RNQBBDPMCNBKFP-UHFFFAOYSA-N 420.271 4.557 0 40 HJAB O=C(CNC(=O)c1ccc(F)cc1)Nc1cccc(Nc2nc3ccccc3s2)c1 58245094 NBCHDRYMVNZLTA-UHFFFAOYSA-N 420.469 4.548 0 40 HJAB CCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2s1 59294135 RLIIKJSYZXZRKG-UHFFFAOYSA-N 403.891 4.624 0 40 HJAB Cc1cccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)c1 59502305 PXXNABVKCLDUBJ-UHFFFAOYSA-N 404.853 4.549 0 40 HJAB Cc1ccc(-c2cc3c(N4CCN(c5ccc(Cl)cc5)CC4)nccn3n2)c(C)c1 67285134 REYDAMUMAYHSDL-UHFFFAOYSA-N 417.944 4.993 0 40 HJAB CC(C)c1nc(CN2CCC[C@H]2c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)no1 72308664 LOCQBESIVPMJGJ-INIZCTEOSA-N 405.424 4.939 0 40 HJAB O=C(Cc1cccnc1)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349413 PINANVUJEXRIGR-FQEVSTJZSA-N 405.929 4.670 0 40 HJAB Cc1noc(C)c1CC(=O)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72350232 MQTKEQPGYPWJHX-IBGZPJMESA-N 423.944 4.879 0 40 HJAB Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](c4cc(Cc5ccccc5)cc(C)n4)C3)c2c1 72374822 SCAVLYJWUXZBHN-OAQYLSRUSA-N 410.521 4.795 0 40 HJAB COc1ccc(Cl)cc1C(=O)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200124 MPWVUKVFPAIHQI-IRXDYDNUSA-N 402.878 4.638 0 40 HJAB Cc1cccc(NC(=O)c2cc(-c3cnc(-c4cccnc4)nc3)cn2CC2CC2)c1 96037767 FTARQOMWBOOZSP-UHFFFAOYSA-N 409.493 4.978 0 40 HJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C(=O)O)cc3)N21 222708991 LZYVFQPTGVJUOK-ORYQWCPZSA-N 418.522 4.550 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 222962250 RVSNHXJKVGJZBD-HXUWFJFHSA-N 418.990 4.766 0 40 HJAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 223119205 IMPSELUPTLSPSX-XMMPIXPASA-N 420.940 4.616 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 223359587 KDDHFRJLJSCZOZ-OAQYLSRUSA-N 414.977 4.913 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1Cc1ccccn1 223557686 CRPYNZXINCRYPS-FGZHOGPDSA-N 403.555 4.566 0 40 HJAB Cc1cccc(CN2CCC(C(=O)NCc3ccccc3CN3CCCCC3)CC2)c1 224839370 FGTYOBFHMMKNBG-UHFFFAOYSA-N 419.613 4.509 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2cccc(C)c2C)cc1 225212188 ZOFRHXGZXXOJOT-STZFKDTASA-N 406.507 4.783 0 40 HJAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCC[C@@H](C)C1 225663798 FVDBOKQMDKGUGZ-HYBUGGRVSA-N 402.579 4.865 0 40 HJAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H](C(=O)O)[C@H]([C@@]3(C)CCCC[C@H]3C(=O)O)CC[C@]12C 245238875 BWPVHESSENIYDR-OIGQEKKCSA-N 422.562 4.912 0 40 HJAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(OC(F)F)c4)OCC[C@@]31C2 257223946 DZPPMBJYEXQNMO-PQIDGVOGSA-N 423.500 4.705 0 40 HJAB O=C(CNC(=O)c1ccc(COc2ccccc2)o1)Nc1ccc(Cl)c(Cl)c1 408561716 KLAWJMPSBHBEKD-UHFFFAOYSA-N 419.264 4.534 0 40 HJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc2oc(=O)ccc2c1 408573236 NBIBQNSCWMVRPM-FMIVXFBMSA-N 416.458 4.579 0 40 HJAB O=C(COc1ccccc1)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 409062617 XTHOFKDJVMRMAC-UHFFFAOYSA-N 412.555 4.707 0 40 HJAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C 409170098 SXHDKGQQPJYXDZ-ABAIWWIYSA-N 413.374 4.576 0 40 HJAB Nn1c(-c2cccc(OCc3ccc(Cl)cc3Cl)c2)nc2ccccc2c1=O 575415136 SWUNQIGRFNBGRZ-UHFFFAOYSA-N 412.276 4.663 0 40 HJAB Cc1cccc(C(=O)N2CCC3(CCCCc4ccccc4OCCN(C)C3)CC2)c1 643570895 WTKFUKMAVXIRBD-UHFFFAOYSA-N 420.597 4.955 0 40 HJAB Cc1ccc(Nc2nc([C@H]3CCCN3CC(=O)N(C)C3CCCCC3)cs2)nc1 1615189154 DWKLZLRZGLMBME-LJQANCHMSA-N 413.591 4.518 0 40 HJAB O=C(N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccco1 985392 HSBTVZCQJJUQAV-GFCCVEGCSA-N 412.498 4.580 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2O)n1-c1ccccc1 996055 PGCALIGBHJCLCP-UHFFFAOYSA-N 416.506 4.679 0 40 HJAB CCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)c1 1854844 ZMCQUCPIHGUDIM-UHFFFAOYSA-N 401.938 4.523 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2nn(CC(C)C)c3nc4ccc(C)cc4cc23)c1 2222665 JPRVMXUSQSKLAR-UHFFFAOYSA-N 418.497 4.818 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2 3382399 SSTFUSFPXVHKCF-NSHDSACASA-N 407.919 4.639 0 40 HJAB Cc1ccccc1-n1nnnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 3386857 BTRDNLRFFOWTSO-HXUWFJFHSA-N 419.485 4.582 0 40 HJAB CCOc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2ccccc2OC)cc1 3582706 MAZLXLUGGSOCST-QFIPXVFZSA-N 407.539 4.697 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]2CC[C@]2(C)c4c(C)nn(C(C)=O)c4C[C@H]32)C1 4026050 DLCTVKXJNPOKCT-ROKGUJHPSA-N 412.574 4.840 0 40 HJAB Cc1cccc2cc(CN(Cc3ccco3)C(=S)NCc3ccccc3)c(=O)[nH]c12 4131742 JZQNUNFUZAAYMF-UHFFFAOYSA-N 417.534 4.506 0 40 HJAB Cc1ccc(S(=O)(=O)N=[S@](C[C@H]2CC2(Cl)Cl)c2ccccc2)cc1 4145230 LRSPENWZCIZCJT-FATZIPQQSA-N 402.368 4.739 0 40 HJAB COc1ccc(-n2ccnc2SCC(=O)Nc2cccc3ccccc23)c(OC)c1 4248691 WVUBPROVFWQMHL-UHFFFAOYSA-N 419.506 4.774 0 40 HJAB O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)c2ccccc2)cc1 4452322 QMRVIWUEJVDVBL-UHFFFAOYSA-N 423.578 4.856 0 40 HJAB CCOc1ccc(-c2cnc(NCc3c(F)cccc3Cl)n2CCOC)cc1 4679257 SMKVCULPRPMJBR-UHFFFAOYSA-N 403.885 5.000 0 40 HJAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)[C@@H]1C 4843576 OXJAJWMYNWPXBW-JFIYKMOQSA-N 410.543 4.560 0 40 HJAB COc1ccc(-c2nc3cccc(C)n3c2NCc2ccc3c(c2)OCO3)cc1OC 4848467 LVLQVSFYQYCRKL-UHFFFAOYSA-N 417.465 4.668 0 40 HJAB COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 5019736 DXCYIFKOPCPIMU-UHFFFAOYSA-N 411.885 4.946 0 40 HJAB CCOc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1OCC 5414153 AQRRVTTUADGEHZ-ILZDJORESA-N 406.519 4.645 0 40 HJAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)C(c1ccccc1)c1ccccc1 6529228 GWSNNEAFZBUIMI-UHFFFAOYSA-N 404.579 4.778 0 40 HJAB COc1ccc(CC(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1OC 6781415 VTYRQCITIAQANE-UHFFFAOYSA-N 419.506 4.865 0 40 HJAB COc1ccc2c(CC(=O)OCc3cc(Cl)c4c(c3)OCCCO4)coc2c1 7735609 YBMQYIDPQCKVAV-UHFFFAOYSA-N 402.830 4.542 0 40 HJAB Cc1nnc(COc2ccc3c(=O)c(-c4c(F)cccc4Cl)c(C)oc3c2)o1 8190531 QNHCSMNEWNDLME-UHFFFAOYSA-N 400.793 4.831 0 40 HJAB CCc1ccc(-c2n[nH]c(S[C@H](C(=O)N3CCCCC3)c3ccccc3)n2)cc1 8266825 KLAKIIKELWORRK-FQEVSTJZSA-N 406.555 4.880 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)CCN2C(=O)CSc3ccccc32)cc1 8394268 SRJOVFOXXIQGQA-HXUWFJFHSA-N 424.566 4.668 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)c1C 8429217 UGRWCYFVFBDBDV-OAHLLOKOSA-N 408.527 4.656 0 40 HJAB CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(F)c2)c1 8723430 VWDVBLWOLGOJRO-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB COc1ccc([C@H]2CCCCCN2Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 8879944 WLEQXMRNLFYWNA-HXUWFJFHSA-N 423.513 4.880 0 40 HJAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3c(C(C)C)cccc3s2)nn1C 9002440 LBBFSJBMPAEUER-UHFFFAOYSA-N 405.527 4.704 0 40 HJAB COc1ccc(CCNC(=S)c2ccc(OCc3ccccc3)c(OC)c2)cc1 9188127 DELVTGMHSUJAJE-UHFFFAOYSA-N 407.535 4.791 0 40 HJAB Cc1c(NS(=O)(=O)c2ccc(F)cc2F)cccc1-c1nc2cccnc2s1 9403987 UHMMYXUVRSOVHQ-UHFFFAOYSA-N 417.462 4.746 0 40 HJAB CS(=O)(=O)Cc1cccc(C(=O)Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 9700947 WXZKHOWBBAKXDX-UHFFFAOYSA-N 424.562 4.918 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)c4cccc(F)c4)cc32)cc1 9738566 JVVQNLKFUHWLBH-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB O=C(NCc1ccc(COCC(F)(F)F)cc1)NCc1cccc(C(F)(F)F)c1 9756824 FCKDHYIXRWQUIA-UHFFFAOYSA-N 420.353 4.784 0 40 HJAB C[C@@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1ccc(F)c(F)c1 10237045 UHEIILPEQPNGQX-GFCCVEGCSA-N 415.440 4.900 0 40 HJAB COc1ccc(C(=O)OCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)cc1OC 11530796 LWYAODGXEPJZTI-DEOSSOPVSA-N 424.424 4.808 0 40 HJAB COc1ccccc1CC(=O)N1CCC(c2nc3ccccn3c2NC(C)(C)C)CC1 12087443 WHWYLGHKLJPYLU-UHFFFAOYSA-N 420.557 4.502 0 40 HJAB Cc1oc2c(c1C(=O)N1CCC(C(=O)c3nc4ccccc4s3)CC1)CCCC2 12184382 XKNUOLBLXRIJHU-UHFFFAOYSA-N 408.523 4.812 0 40 HJAB O=C(N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccccc2F)C1)C1CCCC1 12408182 XNKYNBCQZVBIDK-AZUAARDMSA-N 401.551 4.542 0 40 HJAB Cc1nn(-c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)c(=O)c2ccccc12 12444841 CNBFCCFPYBABEH-XNTDXEJSSA-N 415.880 4.999 0 40 HJAB Cc1cc(C(=O)N[C@@H](C)CCc2ccccc2)c2cnn(Cc3cccs3)c2n1 12916031 NMPVYXUONKMZII-INIZCTEOSA-N 404.539 4.601 0 40 HJAB CC(C)Cc1ccc([C@@H](C)NCCS(=O)(=O)c2ccc(Br)cc2)cc1 12976470 PHHMILDGXLPXJZ-MRXNPFEDSA-N 424.404 4.772 0 40 HJAB CC(C)(C)c1cc(NC(=O)c2cncc(Br)c2)n(Cc2ccccc2)n1 13002092 YXVXJKAADAQLSD-UHFFFAOYSA-N 413.319 4.639 0 40 HJAB COc1c(C)cc(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c(C)c1C 16807798 INOJSZCZASZVJJ-UHFFFAOYSA-N 421.522 4.736 0 40 HJAB CC(C)COc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc1 17089485 NOEAOLUWYIWBQM-UHFFFAOYSA-N 413.326 4.861 0 40 HJAB COC(=O)c1ccccc1-c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)o1 17112340 JTSQDYYIXQAQKK-UHFFFAOYSA-N 406.463 4.577 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1ccccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O 17987741 KHQSPRMCVPPRPQ-KBPBESRZSA-N 416.399 4.637 0 40 HJAB COc1ccc(C(=O)Nc2ccc([C@@H]3c4ccsc4CCN3C(C)=O)cc2)cc1 19018107 OKYTZSMEGONRTD-JOCHJYFZSA-N 406.507 4.503 0 40 HJAB Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)cc1 19209681 JFINQMWBTYBIPO-HSZRJFAPSA-N 400.526 4.760 0 40 HJAB C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N(C)Cc1cccc(F)c1 21980586 MZFJUIKANVLVCU-GFCCVEGCSA-N 420.510 4.699 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CSc1ccc2c(c1)CCC2 25250158 OUQQVTFJPHPNEH-UHFFFAOYSA-N 405.567 4.729 0 40 HJAB C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)N1CCOCC1 25329154 WJMIMXYRGJRXJX-KUHUBIRLSA-N 408.329 4.577 0 40 HJAB C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Sc4ccccc4)c23)C1 25463023 URCOLTFOBLDFKR-OAHLLOKOSA-N 411.596 4.800 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)nc(Cn2ccc4ccccc42)n3C)cc1 31818062 CWBPTAWMYJSJDB-UHFFFAOYSA-N 410.477 4.837 0 40 HJAB CC(C)Oc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 32288000 FWSNKBKPKCLDOC-UHFFFAOYSA-N 424.522 4.551 0 40 HJAB COc1ccc(Cc2nnc(Sc3ncnc4sc5c(c34)CC[C@H](C)C5)o2)cc1 32857614 AHFFYRTUDBKKLR-LBPRGKRZSA-N 424.551 4.950 0 40 HJAB Cc1nc(N2CCC(C(=O)N3CCCC3)CC2)c2cc(-c3ccccc3)sc2n1 32857656 YBXJYAMGIFRXKY-UHFFFAOYSA-N 406.555 4.506 0 40 HJAB O=C1N=C(O)/C(=C\c2cccc(OCc3ccccc3F)c2)C(=O)N1Cc1ccco1 33481969 ZMLVWFPZQJJBSJ-XDHOZWIPSA-N 420.396 4.500 0 40 HJAB COc1ccc(C2C(C(=O)OC(C)(C)C)=C(C)NC(C)=C2C(=O)OC(C)(C)C)cc1 33624601 SBFGYMFKLZDGTM-UHFFFAOYSA-N 415.530 4.613 0 40 HJAB O=C(O)[C@@H]1ON(c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(Cl)cc1 33821805 FMFPITJUNAVUGJ-NJDAHSKKSA-N 422.868 4.541 0 40 HJAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(C(F)(F)F)c2)cc1O 36360242 QZXQNJWNEMPRTM-AWEZNQCLSA-N 403.360 4.729 0 40 HJAB O=S(=O)(c1ccc(Br)s1)N1CCC(=Cc2cccc(F)c2)CC1 36398449 VFUPCAYRKPMWNH-UHFFFAOYSA-N 416.337 4.518 0 40 HJAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 38857659 QXCNGPVVSYFIIF-MRXNPFEDSA-N 420.340 4.803 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccccc2C)CC1 44855659 SLSYJSQDVDFIKP-HSZRJFAPSA-N 422.569 4.634 0 40 HJAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(Cc2c(F)cccc2Cl)CC1 44933036 ONCXJDCTTPHSQZ-QFIPXVFZSA-N 400.925 4.885 0 40 HJAB O=C(CCc1nc(-c2cccnc2)no1)Nc1ccccc1Sc1ccccc1 46435491 VBRNOPHUQOGZQX-UHFFFAOYSA-N 402.479 4.854 0 40 HJAB COc1cc(C(=O)N(C)[C@H](c2cccc(F)c2)c2ccccn2)cc(Cl)c1OC 58367139 NEFOOJWYKNQXDK-HXUWFJFHSA-N 414.864 4.753 0 40 HJAB COC(=O)c1c(NS(=O)(=O)c2cc(Cl)ccc2Cl)sc2c1CCCC2 59453906 OYHNJHRVSMYFHI-UHFFFAOYSA-N 420.339 4.521 0 40 HJAB Cc1cc(C)n(-c2ccc(NC(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)cc2F)n1 65532878 IAOLLEMIRWWFGT-UHFFFAOYSA-N 409.461 4.937 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(Cc4ccc(F)cc4)n3)C2)cc1 72349577 JXWOQWKJYBFNHJ-OAQYLSRUSA-N 418.512 4.769 0 40 HJAB CCOc1cc(C(=O)NCC2(c3ccncc3)CCCC2)cc(OCC)c1OCC 95453015 KMKVZEQAAXXJAS-UHFFFAOYSA-N 412.530 4.520 0 40 HJAB O=C(N[C@@H](CCc1ccc(F)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 95749089 KUXCZWSGUCCUBR-QHCPKHFHSA-N 419.452 4.750 0 40 HJAB CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC[C@@H](c1ccc(O)cc1O)C2=O 96111561 JFNOODAWRZYNPU-SFHVURJKSA-N 422.477 4.855 0 40 HJAB biogenic,in-vitro CCCCc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220364540 FURUXTJUBIKCOT-MRXNPFEDSA-N 422.978 4.784 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 222554239 SXBOCGHYFWAERW-JOCHJYFZSA-N 414.977 4.831 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)CCc2ccccc2)cc1 223132892 AYZDESUMCCISLA-URPBSQGJSA-N 418.562 4.965 0 40 HJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 223746673 CAPNJUQZQCGTGL-ZWKOTPCHSA-N 401.944 4.982 0 40 HJAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C 223755774 JWIUJVMISDGQEL-VXKWHMMOSA-N 406.555 4.706 0 40 HJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 224059731 VCAVZTDFTMJXSG-DEOSSOPVSA-N 408.586 4.694 0 40 HJAB CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 224083010 FNOIHCKSXXBJCF-GOSISDBHSA-N 402.560 4.742 0 40 HJAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COCc1ccccc1 224352690 KMLCDMIMDRUCFV-UHFFFAOYSA-N 407.466 4.682 0 40 HJAB CCOc1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 225297843 VUUPVFGTVPOFRU-JCMHNJIXSA-N 420.534 4.543 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 225555071 RQCHBYWBEDJRRC-XMSQKQJNSA-N 414.977 4.913 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 225642932 XBQOFWAWTBOVND-UWJYYQICSA-N 416.562 4.640 0 40 HJAB Cc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)cc1 257262852 LNENAQUXGPGEMC-NRFANRHFSA-N 415.541 4.873 0 40 HJAB O=C(CSc1ccc(Br)cc1)Nc1ccc(Cl)c(C(=O)O)c1 314273592 JXNCISMFFNFKFF-UHFFFAOYSA-N 400.681 4.532 0 40 HJAB Cc1cccc(OCc2nn(CC(=O)Nc3cc(Cl)ccc3C)c(=S)o2)c1 409174624 VUMQINNAIYTJHZ-UHFFFAOYSA-N 403.891 4.694 0 40 HJAB C[C@H](Nc1ccc2c(c1)CCC(=O)N2)c1nc(-c2cccc(C(F)(F)F)c2)no1 522278046 GOLOHIOCNFOVGV-NSHDSACASA-N 402.376 4.813 0 40 HJAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[C@H](Oc2ccncc2Cl)C1 575610608 LMKJAXLBHLMRDQ-KRWDZBQOSA-N 419.868 4.837 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=S)NC(=O)c1ccccc1 835764 PABGWMBDDGWIEB-UHFFFAOYSA-N 410.520 4.719 0 40 HJAB aggregator CCCCCCOC[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]12 2101886 OXLUIJSXMUVGQM-RTOMLYRKSA-N 424.578 4.828 0 40 HJAB biogenic Cc1ccccc1NC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1Cc1ccccc1 2240989 OQTKMANTQIJAEB-UHFFFAOYSA-N 422.488 4.567 0 40 HJAB COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1OC 2627029 NADRMCVMCUVUGP-UHFFFAOYSA-N 421.478 4.520 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 3323433 CWTZEZDHTGYODK-UHFFFAOYSA-N 414.571 4.763 0 40 HJAB C[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(F)cc1 3485677 WTKWSLLRGRGOAG-ZDUSSCGKSA-N 402.263 4.998 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)[C@@H](O)[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 4292989 RPBAJJRDQPLSHK-GNPUALQTSA-N 406.607 4.566 0 40 HJAB O=C(/C=C/c1ccccc1)n1nc(-c2cccnc2)nc1NCc1cccc(Cl)c1 4732442 PVZAAUVGDCZWJO-VAWYXSNFSA-N 415.884 4.959 0 40 HJAB COc1ccccc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1ccccc1OC 4907197 KCEQCEATNMBAJT-LCUIJRPUSA-N 416.433 4.640 0 40 HJAB CCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 5002876 LANLPOBZIIZFNC-JOCHJYFZSA-N 408.498 4.627 0 40 HJAB CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccc(OC)c2OC)cc1 5256253 ROKWBMJNFVWBGP-JOCHJYFZSA-N 421.497 4.541 0 40 HJAB COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)c3cccs3)nc12 5265364 NQKGVCZQUWUWFM-UHFFFAOYSA-N 411.508 4.617 0 40 HJAB O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccccc1Br 5601786 UPWOHKJEFAYRNI-UHFFFAOYSA-N 402.313 4.841 0 40 HJAB CCCOc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 5952124 JCTZWJWHXUZEQI-CYBMUJFWSA-N 407.297 4.774 0 40 HJAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nnc3n2CCCCC3)cs1 6096938 LUOZULAUPMJODF-UHFFFAOYSA-N 413.572 4.746 0 40 HJAB Cc1ccc(C)c(-n2c(=O)c3ccccc3n3c(SCc4ccccc4)nnc23)c1 6466116 RGKUFFUCRVEMMP-UHFFFAOYSA-N 412.518 4.943 0 40 HJAB C[C@H](NC(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1)c1ccco1 7095392 QKVIYKKHTVNWIJ-HNNXBMFYSA-N 404.495 4.936 0 40 HJAB COc1cc(CNC(=O)CCC(=O)c2ccccc2)ccc1OCc1ccccc1 7648931 UWHBGEJJRPEJBY-UHFFFAOYSA-N 403.478 4.554 0 40 HJAB c1ccc(-n2nnnc2CSc2nc(C3CCCCC3)n(-c3ccccc3)n2)cc1 8191586 SBKBAFQWCAXDSZ-UHFFFAOYSA-N 417.542 4.583 0 40 HJAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8369084 MAFYPQLPHFIVNW-LJQANCHMSA-N 406.507 4.949 0 40 HJAB COc1ccccc1N1C(=N)S/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C1=O 8443149 PNFZUCFQPLNPLV-OCFWRVAFSA-N 420.446 4.709 0 40 HJAB COc1ccccc1-c1cc(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2o1 9572635 VXWAMMTUVLLSEC-UHFFFAOYSA-N 421.474 4.578 0 40 HJAB biogenic Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2-n2cccc2)c1 9707912 ZZJVJKKVYDVPJV-UHFFFAOYSA-N 423.929 4.751 0 40 HJAB COc1cc(Cl)c(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1OC 10592585 ZRRLTIYJXROBAD-UHFFFAOYSA-N 418.902 4.953 0 40 HJAB CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2COc2ccccc2)cc1 10852259 YJDWVMOTQHXABZ-KRWDZBQOSA-N 417.461 4.652 0 40 HJAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCC[C@H]2CCCC[C@@H]21 12798403 WIADKBODMBAOFZ-OFNKIYASSA-N 400.526 4.788 0 40 HJAB CCC1CCC2(CC1)NC(=O)N(CN(C)C(c1ccccc1)c1ccccc1)C2=O 12819253 ABSKSODNPKWCPJ-UHFFFAOYSA-N 405.542 4.556 0 40 HJAB COc1cccc(NC(=O)CN(C)C(=O)c2sc3cc(Cl)ccc3c2Cl)c1 12917229 YZHCZHXQIFLQPY-UHFFFAOYSA-N 423.321 4.927 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](C)c1cccc(Br)c1 12983494 RUKHNPKWBOUXDC-JLTOFOAXSA-N 413.315 4.591 0 40 HJAB COc1cc(/C=C/C(=O)OCC(=O)c2cc(C)n(C(C)C)c2C)cc(Cl)c1OC 13041687 IEDRWDIWZNNKMU-BQYQJAHWSA-N 419.905 4.796 0 40 HJAB O=c1/c(=C/c2ccc(-c3ccccc3)cc2)sc2nnc(-c3cccc(Cl)c3)n12 13547102 WYYGSOSRTPYHLO-MOSHPQCFSA-N 415.905 4.686 0 40 HJAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c1 13583487 IGCWOFWGQQZWRS-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc([C@H](C)Oc2ccccc2)n1C 13849624 FOOSVWQUIIAQOQ-AWEZNQCLSA-N 416.934 4.648 0 40 HJAB Cc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1C 17090094 ZILXMRBLRDKLGX-HNNXBMFYSA-N 414.571 4.632 0 40 HJAB CCOC(=O)[C@@H](CC)Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1 17268651 QLGICENLFVWQJC-LJQANCHMSA-N 424.501 4.989 0 40 HJAB CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C2CCCC2)C1 19447316 RJIPUERLYCGXHS-SANMLTNESA-N 405.586 4.698 0 40 HJAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)Cc4ccccc4F)C3)noc2n1 19568718 XYHPCJBTSKKWDN-CQSZACIVSA-N 421.394 4.638 0 40 HJAB COCCc1ncc(CN2CCC[C@H]2c2cc(Cc3ccccc3C)cc(C)n2)cn1 19691928 OTDIJZRJJPGKRS-VWLOTQADSA-N 416.569 4.605 0 40 HJAB CCCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccc(C)cc4)n3)cc21 19820282 RWLYNVYZLMWMHF-UHFFFAOYSA-N 407.495 4.506 0 40 HJAB Cc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 22275447 OQLJLTQZQYNMQW-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB C[C@H]1C[C@H](C)CN([C@@H](c2ccccc2)c2sc3nc(-c4ccco4)nn3c2O)C1 22851776 UXNTVZZJUCUIIL-MPGHIAIKSA-N 408.527 4.824 0 40 HJAB COc1c(Br)cc(F)cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 23513635 CIZBOSKYNSYJNO-SECBINFHSA-N 402.647 4.656 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)CCc2cnn(-c3ccccc3)c2)cc1 24392322 IYQJUWXDPWJJQY-XMMPIXPASA-N 403.526 4.957 0 40 HJAB O=C(c1cccc(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1)N1CCCC1 26806480 BJCKGIRCUWZNFK-UHFFFAOYSA-N 416.403 4.604 0 40 HJAB COc1ccc(Cl)c(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccc(F)cc4)cnn32)c1 32092463 HUZSIBCCNFWETC-KRWDZBQOSA-N 414.824 4.523 0 40 HJAB COc1ccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 32623020 WLZMQHXEHYEOII-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3cccc(-c4nnco4)c3)c12 32777366 NMIANAQLHRPOAS-UHFFFAOYSA-N 403.423 4.562 0 40 HJAB COC(=O)c1ccc(CSCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 32905789 VXOYOLVOHKWMIL-UHFFFAOYSA-N 408.401 4.975 0 40 HJAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 32978408 LXZGZRNLLNWZOX-UWJYYQICSA-N 404.535 4.897 0 40 HJAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)s2)o1 33162962 SFWJMGPQPSHNIX-MRXNPFEDSA-N 409.511 4.511 0 40 HJAB Cc1nn(C)cc1-c1cc(C(=O)NCC(C)(C)c2ccc(F)cc2)c2ccccc2n1 35316613 FTIQFVPLAVXILB-UHFFFAOYSA-N 416.500 4.790 0 40 HJAB CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2)cc1C(F)(F)F 35983940 WJSGOXONRXFGRY-UHFFFAOYSA-N 411.449 4.796 0 40 HJAB in-vitro C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC[C@H](C(=O)Nc2ccccc2)C1 37224307 MWCSZCYOAHNCCF-GJZGRUSLSA-N 420.340 4.671 0 40 HJAB COc1ccc([C@@H](C)NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1OC 44839336 KGLJOWXYRCERGI-OAHLLOKOSA-N 401.466 4.738 0 40 HJAB O=C(Nc1nnc([C@@H]2CCCO2)s1)c1cc(-c2ccccc2)nc2ccccc12 46085451 ZEVDIYXCOBIYSD-IBGZPJMESA-N 402.479 4.857 0 40 HJAB CC(=O)N1CCN(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)CC1 48361918 RPCAERKJYOKHEN-UHFFFAOYSA-N 415.965 4.504 0 40 HJAB Cc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3)no2)c1 49001759 ZQJHRVRQKLUCDU-UHFFFAOYSA-N 411.508 4.599 0 40 HJAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1cccc(OC(F)(F)F)c1 51364544 SVRUDYKZDHEBLN-QGZVFWFLSA-N 414.383 4.744 0 40 HJAB CC1CCN(CCCCNC(=O)NCCOc2ccccc2-c2ccccc2)CC1 58161000 AEZCKFSOLUFRMP-UHFFFAOYSA-N 409.574 4.544 0 40 HJAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 58268999 SCRVFBVYMVFLIT-AVRDEDQJSA-N 409.530 4.680 0 40 HJAB O=c1c2ccccc2c(-c2nc(-c3cccc(F)c3)no2)nn1-c1cccc(Cl)c1 64949852 WRBHKKIFCFNZLQ-UHFFFAOYSA-N 418.815 4.895 0 40 HJAB CCC1CCC(N(C(=O)Cn2c(C)csc2=O)[C@@H](C)c2ccc(F)cc2)CC1 72288049 YDRQPRHUCGPOPO-VXESANQCSA-N 404.551 4.916 0 40 HJAB COc1cccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)CCCN(C)c2ccccc2)c1 72380413 JYFQKTBTGQJLEZ-HSZRJFAPSA-N 418.541 4.665 0 40 HJAB COc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(C(C)(C)C)cc3)n2)cc1 95471630 JIRGSPCBBDWTJG-UHFFFAOYSA-N 407.514 4.634 0 40 HJAB c1ccc(C(c2ccccc2)(c2ccccc2)n2cnc(CN3CCOCC3)c2)cc1 97165687 QSDXIQQQWIZCLP-UHFFFAOYSA-N 409.533 4.556 0 40 HJAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 109144078 GCTUWNWNOCVPLE-QMTHXVAHSA-N 400.331 4.830 0 40 HJAB Cc1cccc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1 113964954 ZTGSKJKGQJRRBY-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222795929 DNGMLLQNJQLVPL-RBUKOAKNSA-N 416.472 4.884 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 223258304 WXSZLVMWHZIYMC-QFIPXVFZSA-N 424.585 4.713 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 223793270 DIGMSGMNAHASLZ-NRFANRHFSA-N 418.940 4.745 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223895389 JNDFJJRBYMYPEW-IBGZPJMESA-N 424.560 4.797 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC3CCCCC3)ccc2C)cc1C 223949460 MSQRVCJTVJKJKP-UHFFFAOYSA-N 414.571 4.723 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 224154702 LPGAJBHPZQFFDL-DEOSSOPVSA-N 406.570 4.712 0 40 HJAB CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1COC(C)C 224722459 VHZMREZHJHYEJC-UHFFFAOYSA-N 410.558 4.590 0 40 HJAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)c1 224829874 XTYWVHYSOIMCCT-YADHBBJMSA-N 422.554 4.658 0 40 HJAB CCCCNC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1Cl 225071376 AYLASGZKLNPERB-UHFFFAOYSA-N 409.711 4.885 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCc2ccc(Cl)cc2)cc1 225097876 KSXWKZDXYTXHSE-QNGOZBTKSA-N 424.953 4.840 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225482320 UJZZVOSLRDHHAF-GBXCKJPGSA-N 424.585 4.911 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 225513271 OVXXHTYHFFIBBE-QPPBQGQZSA-N 408.586 4.876 0 40 HJAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCc2cc(-c3ccncc3)ccc21 225640264 QVRITPRQJGAUMB-UHFFFAOYSA-N 404.413 4.519 0 40 HJAB CCn1cc(CN2CCC(c3cc(Nc4cccc(C)n4)cc(C)n3)CC2)c(C)n1 257207965 BKBVOPGFNBPBIE-UHFFFAOYSA-N 404.562 4.741 0 40 HJAB CCc1ccccc1NCC(=O)N1CCC(c2ccnc(Nc3ccccn3)c2)CC1 257306557 SUTPSAFJBSXWQY-UHFFFAOYSA-N 415.541 4.601 0 40 HJAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c(C)c1 408701238 UUZZSACZFHUIGZ-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB Cc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccccc2Br)cc1 408842519 OMAOVOVZKPDCLI-XSFVSMFZSA-N 418.294 4.987 0 40 HJAB Cc1cccc(C(=O)N2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)c1 2037912587 PCXXJOYBDLEAIF-QHCPKHFHSA-N 401.934 4.701 0 40 HJAB Cc1cc(C)c2cc(CN(C[C@@H]3CCCO3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 874816 VHGZSVPLOONRDV-FQEVSTJZSA-N 421.566 4.523 0 40 HJAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)N3c4ccccc4C[C@H]3C)n12 929711 UBNYMPPMGWOXDR-QGZVFWFLSA-N 416.550 4.878 0 40 HJAB COc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2nc3ccccc3n21 1069396 RKUFWYZCLJTRPV-HSZRJFAPSA-N 410.477 4.973 0 40 HJAB CCNC(=O)c1c(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc2c1CCCC2 1159725 HOHXVESMVPHCQO-IAQYHMDHSA-N 415.386 4.906 0 40 HJAB O=C(O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 2664485 KORKJBPWTGQVFH-UHFFFAOYSA-N 414.188 4.511 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc(C)c1-c1ccccc1 2761552 SFCDLQGMQIBEKE-HZPDHXFCSA-N 415.511 4.730 0 40 HJAB COc1ccccc1N1CCN(c2nnc(-c3ccc(C)cc3)c3ccccc23)CC1 3199505 MIYNAWPKIJZAOT-UHFFFAOYSA-N 410.521 4.940 0 40 HJAB Cc1cc(C)cc(NC(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 3239172 WMFXCGQBQRWDPX-UHFFFAOYSA-N 416.688 4.824 0 40 HJAB COc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1Cl 3357074 PIFADWXDEIQCMR-FQEVSTJZSA-N 408.885 4.849 0 40 HJAB CC[C@H](NC[C@H](O)COCc1ccccc1Cl)c1ccc(Br)cc1 3441513 COPLWPMLFGPMNU-HKUYNNGSSA-N 412.755 4.721 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)C(C)C)c3ncnn32)cc1 4816783 HJZYYPSHSVKLCO-PMACEKPBSA-N 410.905 4.664 0 40 HJAB COCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)NCc1ccccc1 4880836 PEPWCMKGBJWCQJ-UHFFFAOYSA-N 411.933 4.863 0 40 HJAB Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 5053755 MCZWQRPBPUICEI-XZOQPEGZSA-N 414.415 4.769 0 40 HJAB COc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1cccc(Cl)c1)CCCS3 5451569 IOQIYUJYRVCRCD-UHFFFAOYSA-N 411.914 4.557 0 40 HJAB Cc1ccc(NC(=O)c2ccc3nc(N4C(=O)c5ccccc5C4=O)sc3c2)cc1 5553814 AYZWVNJETXKOQS-UHFFFAOYSA-N 413.458 4.658 0 40 HJAB Cc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1C 6207527 PQHHJCHAAXWIAB-QHCPKHFHSA-N 406.507 4.923 0 40 HJAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 7735385 VSQIMPXLMVKNQY-UHFFFAOYSA-N 410.861 4.523 0 40 HJAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)COc1ccccc1-c1ccccc1 8327434 QDLMHGBEDUNCDI-UHFFFAOYSA-N 417.465 4.814 0 40 HJAB Cc1c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)oc2c1ccc1ccccc12 8389750 WYHKRKORINWXDV-UHFFFAOYSA-N 412.367 4.680 0 40 HJAB CCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810660 NKOFBLWBZCUUBH-UHFFFAOYSA-N 416.449 4.580 0 40 HJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(n2nnc(-c3cccs3)n2)CC1 9226796 JOPBBQJEXZLAMA-UHFFFAOYSA-N 423.329 4.577 0 40 HJAB Cc1nc2cc(C(=O)OCC(=O)Nc3ccccc3Cl)ccc2n1-c1ccccc1 9632817 UNBNVFKQPAYUQK-UHFFFAOYSA-N 419.868 4.783 0 40 HJAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 9668499 UCMGHKOTEIDECN-UHFFFAOYSA-N 402.494 4.505 0 40 HJAB biogenic Cn1ccnc1[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1 12548213 IQDHDDYIMKAGIV-JOCHJYFZSA-N 406.917 4.783 0 40 HJAB O=C(NCc1ccccc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 12736103 DTXBWEXMCUZOEC-UHFFFAOYSA-N 413.321 4.840 0 40 HJAB CCCN(C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)[C@H]1CCS(=O)(=O)C1 12816431 KUXLDKYUOXZBGZ-HQPKTYMTSA-N 423.987 4.507 0 40 HJAB CNC(=O)c1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 12912378 VZJKMTGJXCYBIQ-OVCLIPMQSA-N 413.502 4.975 0 40 HJAB CCc1ccccc1N1C[C@@H](C(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1=O 12940246 AMANTWPGRUPWPL-PXNSSMCTSA-N 419.550 4.575 0 40 HJAB COc1cccc(/C=C(/C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c2ccccc2)c1 13865418 IPIOFSASIRPEHU-KUYAXXCUSA-N 421.537 4.720 0 40 HJAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc(C)c1Cl 14397667 OLXCCAYRKNLQHQ-QGZVFWFLSA-N 414.933 4.989 0 40 HJAB O=C(COC(=O)c1csc(-c2ccccc2)n1)NCc1ccc(Cl)cc1Cl 17984304 DKRHFJPIFUERRD-UHFFFAOYSA-N 421.305 4.590 0 40 HJAB COc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 18174517 WRQOQXAQBGPLIA-QFIPXVFZSA-N 424.522 4.954 0 40 HJAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-n2cccn2)ccc1Cl 19715175 MSDQJLQIOHBTED-UHFFFAOYSA-N 423.879 4.779 0 40 HJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1OC 20633397 ZTWQMVLUYMEEKD-JOCHJYFZSA-N 421.497 4.684 0 40 HJAB Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)C[C@H](c1ccc(F)cc1)C2 20634848 FTKMUJWVOCTNJX-MRXNPFEDSA-N 413.456 4.832 0 40 HJAB Cc1ccccc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 23077500 VWAIQKOXXASFLW-UHFFFAOYSA-N 410.461 4.581 0 40 HJAB CCc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)c1 23119231 LWGKAVDFFHHWSE-UHFFFAOYSA-N 402.523 4.998 0 40 HJAB O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N(Cc1ccco1)c1ccccc1 24841166 QADMPDYDWVJIQK-UHFFFAOYSA-N 413.477 4.563 0 40 HJAB Cc1ccc([C@H](CNC(=O)c2oc3ccc(Br)cc3c2C)N(C)C)cc1 28294873 ADBJZRSLYOFZPY-SFHVURJKSA-N 415.331 4.845 0 40 HJAB CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(C)cc2)cc1 28527945 UFANOYMFDGWNEF-UHFFFAOYSA-N 419.529 4.950 0 40 HJAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccc(F)cc3)n2)cc1 32622900 XTKIACKBXHFCND-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB CCN(CC)C(=O)[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1 32741631 OGGILTZNWBQONM-FQEVSTJZSA-N 406.555 4.847 0 40 HJAB Cc1ccc(NC(=O)CSCc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1Cl 33064138 LOUMHXSRTCCINC-UHFFFAOYSA-N 400.931 4.979 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)Nc2ccc(C)c(C)c2)cc1 33141793 NAFWNIACWPRGAR-UHFFFAOYSA-N 414.552 4.751 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2C)cc1 33734227 PRCQONNHNYXEPJ-SFHVURJKSA-N 408.523 4.595 0 40 HJAB CNC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(C)cc1 44086613 GVGWVVRUFHRNKX-UHFFFAOYSA-N 406.338 4.993 0 40 HJAB Cc1ccc(-c2csc(NC(=O)CSc3nnc(Cc4ccccc4)o3)n2)cc1 59212641 MVUKNASYMODBTQ-UHFFFAOYSA-N 422.535 4.823 0 40 HJAB CC(C)(C)n1ncc2c1N=C1NC(=O)N(c3ccccc3)[C@H]1[C@@H]2c1ccc(F)cc1 66091491 QRFAKHADZYSJMT-MOPGFXCFSA-N 403.461 4.551 0 40 HJAB COc1cccc(-c2noc(-c3cn(-c4ccc(F)cc4)c(=O)c4ccccc34)n2)c1 67245364 SGPZECSGONTXFM-UHFFFAOYSA-N 413.408 4.855 0 40 HJAB COc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCC2 71281325 PXSCTDUKUKXVEU-JOCHJYFZSA-N 406.526 4.842 0 40 HJAB CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](C5=CC(=O)NC5=O)CC[C@]4(C)C3=CC[C@@H]12 72127552 HBDJSKMXFZVHGN-NWGDQWASSA-N 411.586 4.535 0 40 HJAB biogenic Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(Cc3ccccn3)C2)n1 72345979 DBMJXASZWKXEMT-MRXNPFEDSA-N 413.447 4.519 0 40 HJAB CC(C)[C@H](C(=O)N[C@H]1CCc2cc(Cl)ccc21)n1cnc2cc(F)c(F)cc21 95392552 YRYZMXDXGFUZNJ-FXAWDEMLSA-N 403.860 4.969 0 40 HJAB S=C(Nc1cccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100999075 IDCCYCFBXABYHM-LYYPEUCTSA-N 414.644 4.637 0 40 HJAB COc1ccc([C@H]2CC3=Nc4nonc4N[C@@H](c4ccc(OC)cc4)C3=C(O)C2)cc1 102751377 QHGRGAQCABWDTJ-BTYIYWSLSA-N 418.453 4.716 0 40 HJAB COc1ccc(CN2C(=O)/C(=C\Nc3ccc(C)c(C)c3)c3ccccc3C2=O)cc1 105008639 CWTYSXAHHLYWCR-IWIPYMOSSA-N 412.489 4.948 0 40 HJAB Cc1cccc(NC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 113965151 FRQHIDQGAZLYOI-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C)C=CC[C@H]2C1=O 136688047 IKSDTCDVIXKYID-AUJRIZCKSA-N 408.885 4.602 0 40 HJAB CC(C)(C)c1ccc(NC(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1 206789698 WCBHCMFBHPPOSA-KRWDZBQOSA-N 406.452 4.798 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=O)C1CCN(c3ccc(C)cc3)CC1)CC(C)(C)O2 219865115 LKQZPSDIUQVEGG-JOCHJYFZSA-N 408.542 4.639 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 223032310 DHEQWMBJBPQEMI-QZTJIDSGSA-N 400.950 4.605 0 40 HJAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223125589 BIVMASHMEYPBIZ-FQEVSTJZSA-N 408.586 4.556 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 223410143 UYCRSXYZRYSXLK-JOCHJYFZSA-N 410.901 4.729 0 40 HJAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1C 223761118 PFHYIYHUHCKTAG-UHFFFAOYSA-N 402.494 4.505 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@@H](C)C(=O)NC2CCCC2)c1 223805332 MJKOFKDLTJXJJY-NRFANRHFSA-N 406.570 4.630 0 40 HJAB C[C@H](CCc1ccccc1)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 224423659 PQBQPIHHGQYRNM-LFTLAFEGSA-N 404.535 4.657 0 40 HJAB CCC1(CC)C[C@@H](NS(=O)(=O)c2cc(C)c(OC)cc2C)c2ccccc2O1 224667624 QDXQPZGUEQZEEQ-GOSISDBHSA-N 403.544 4.673 0 40 HJAB Cc1cccc(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCC2)c1 224671884 KENPRYLHYCWEME-GOSISDBHSA-N 412.961 4.667 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 225090322 ZMRLWNUFXQSVOT-LEWJYISDSA-N 424.585 4.829 0 40 HJAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)ccc21 225098060 VNVBAPQMSWMMRQ-ZDUSSCGKSA-N 404.919 4.759 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 225542676 GMUQMGRRGCRHBC-XMSQKQJNSA-N 414.977 4.913 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 225718281 ABXFRDBSQYOJJZ-JOCHJYFZSA-N 412.599 4.560 0 40 HJAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3ccncc3)CC2)n1 257343874 ZUSXMFISLVAUOP-KESTWPANSA-N 415.541 4.761 0 40 HJAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cc2c(ccc3ccccc32)o1 408629991 LUIJFNZQKVQKGC-KRWDZBQOSA-N 414.461 4.747 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 408689938 ZTMZXBJIDDEFHA-YXKFXFPPSA-N 408.885 4.602 0 40 HJAB O=C(NCC(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 408708397 PUYAXYUTDDFHOO-FQEVSTJZSA-N 418.924 4.641 0 40 HJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 408909846 ILZRACGCLBNGSI-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB O=C(CN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O)Nc1ccc(F)cc1 409168368 LWBHPLVDOUBLOB-DHDCSXOGSA-N 424.375 4.520 0 40 HJAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3c(C)[nH]c4ccccc34)C2=O)c1 409359889 ODKIQZPTXGQAFA-RGVLZGJSSA-N 419.506 4.768 0 40 HJAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(-c2noc(C(F)F)n2)cc1 539083054 VUOLFZFWLALXOD-UHFFFAOYSA-N 411.330 4.965 0 40 HJAB O=C(c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCC[C@H]2C[C@@H]21 672124448 CARNRWRBPKKZOB-YJBOKZPZSA-N 412.415 4.578 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 813003 OEDWEELAVUHXEX-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB O=C(CSc1ncccn1)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 818857 KWHWIOVHZSNIBT-UHFFFAOYSA-N 411.339 4.562 0 40 HJAB O=C(c1ccccc1)N1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1 827809 GTPKYIQEMDBGLB-OAQYLSRUSA-N 408.251 4.823 0 40 HJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)n1-c1ccccc1 877850 PAARQFPHBGCHPK-UHFFFAOYSA-N 400.507 4.974 0 40 HJAB Cc1nc(SCC(=O)Nc2nc3c(s2)CCCC3)c2c(C)c(C)sc2n1 1340321 NLXWHWVEARRTOC-UHFFFAOYSA-N 404.586 4.683 0 40 HJAB COc1ccc(-c2noc([C@H]3CCCN(C(=O)Nc4cccc(Cl)c4)C3)n2)cc1 1362612 PTOVQDMIPATKDU-HNNXBMFYSA-N 412.877 4.810 0 40 HJAB COc1ccccc1/C=C/[C@]1(C(=O)NC2CCCCC2)CC(=O)N1c1ccc(C)cc1 1380434 SEKCSPPVTBVAGH-ZMNABIIRSA-N 418.537 4.641 0 40 HJAB C[C@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C[C@H](C)O1 1447662 HFDQYYVFVKIRDR-IRXDYDNUSA-N 402.473 4.840 0 40 HJAB COc1ccccc1-c1nc(C(=O)NCc2cccnc2)cc2c1[nH]c1ccccc12 2122946 QEGDQLBOWTWCAW-UHFFFAOYSA-N 408.461 4.717 0 40 HJAB biogenic CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 2219003 WBRILNUBTRVDCT-UHFFFAOYSA-N 400.573 4.606 0 40 HJAB CCCSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CCCC4 2270761 HJRCDRVDOHTPKF-UHFFFAOYSA-N 410.568 4.784 0 40 HJAB O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccc(Br)cc1 2467171 CIBLEBGPGCRTOU-UHFFFAOYSA-N 414.284 4.869 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)c2cc(C)n(C)c2C)nnc1-c1ccncc1 2617959 AXEMUEGZIPUGKE-UHFFFAOYSA-N 417.538 4.568 0 40 HJAB Cc1cccc(C)c1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 3290069 GYNYBQHVDIFLMJ-UHFFFAOYSA-N 404.495 4.791 0 40 HJAB O=C(Nc1ccc(-c2ccccc2)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 3415150 JSQBCLBDTGFMIH-UHFFFAOYSA-N 402.469 4.984 0 40 HJAB CCOc1ccc([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)cc1 3642465 OWKMXQWWXXCDGZ-IAGOWNOFSA-N 404.301 4.712 0 40 HJAB CCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 5093384 PDWZNLAZPUUUDZ-FQEVSTJZSA-N 411.933 4.704 0 40 HJAB O=C(C[C@H](NCCC1=CCCCC1)C(=O)O)Nc1ccc(Nc2ccccc2)cc1 5257987 ROBCOSGWWOTJSX-QFIPXVFZSA-N 407.514 4.692 0 40 HJAB CCCC(=O)Nc1cccc(NC(=O)/C=C/c2cc(Br)ccc2OC)c1 5711353 HSBYHWMNSVNZGF-DHZHZOJOSA-N 417.303 4.848 0 40 HJAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)c1 6386548 GAARYSVTFJFVLM-UHFFFAOYSA-N 413.543 4.729 0 40 HJAB Fc1ccc(-n2c(SCc3nnsc3Cl)nnc2-c2ccccc2)cc1 6820883 IHTKJHVSQNZIQU-UHFFFAOYSA-N 403.895 4.871 0 40 HJAB Cc1cc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c(C)cc1Br 7882191 YMSFUOUPPRUHSG-DOTOQJQBSA-N 415.331 4.614 0 40 HJAB Cc1ccc(OCCC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 7986050 WIGFCJSLKGUQAX-UHFFFAOYSA-N 415.795 4.618 0 40 HJAB C[C@H](Sc1nnnn1Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 8329068 KNEKNMZAZWURHI-KRWDZBQOSA-N 415.522 4.508 0 40 HJAB CCN(C(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1C)c1cccc2ccccc12 8729155 FIUVABAPVPMVMQ-UHFFFAOYSA-N 417.553 4.688 0 40 HJAB COC[C@H](C)n1c(SCc2cc(-c3cccs3)on2)nc2ccccc2c1=O 8761874 NNZHKUSSMLICBL-ZDUSSCGKSA-N 413.524 4.613 0 40 HJAB Cc1ccc(NC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)Cc2cccs2)cc1 8829198 RANTUWZRGBGZGO-UHFFFAOYSA-N 404.495 4.527 0 40 HJAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1C 8840936 LXQPXKNDPPAFGF-UHFFFAOYSA-N 414.571 4.738 0 40 HJAB Cc1ccc(NC(=O)CSc2nc(CC(=O)NC3CCCCCC3)cs2)cc1 8852786 SBCKIVVKVHXACR-UHFFFAOYSA-N 417.600 4.564 0 40 HJAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(OCC)c(OCC)c3)ccc21 9137014 HKKPOHKUURIIEZ-UHFFFAOYSA-N 410.514 4.816 0 40 HJAB Cc1cccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)c1 9250014 MPFNXSWZVARNGD-UHFFFAOYSA-N 405.523 4.990 0 40 HJAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)c(C(=O)c2ccccc2)c1 10253404 RNPCMTOKTHLGBD-UHFFFAOYSA-N 421.518 4.660 0 40 HJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccc(C)cc2C)cc1 11116642 NOIFJWJRYVFJMY-FCHUYYIVSA-N 407.539 4.820 0 40 HJAB O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccccc1 12408203 JUNUIEZXUONSIU-TZIWHRDSSA-N 409.530 4.666 0 40 HJAB CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](c3ccc(F)cc3)c3nccn3C)o2)cc1 12574890 WLDKBYFOTGQPIE-JOCHJYFZSA-N 417.440 4.541 0 40 HJAB COc1cccc(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)c1 12732745 ZFJIHVUYWCDRQI-RMKNXTFCSA-N 401.462 4.827 0 40 HJAB CC[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Br)cc1 12928510 PVLUMFVDKXHKLY-GOSISDBHSA-N 401.304 4.679 0 40 HJAB COC(=O)c1occc1CSc1nc2ccccc2c(=O)n1[C@H](C)c1ccccc1 13017058 WGXIKZXWBGIRNK-OAHLLOKOSA-N 420.490 4.678 0 40 HJAB COc1ccc(NC(=O)c2nc(SCc3ccccc3)ncc2Cl)c(OC)c1 13626547 KCBKBZCYZOGBPI-UHFFFAOYSA-N 415.902 4.692 0 40 HJAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(I)cc1 13670314 GOANOBDSPMZVBB-UHFFFAOYSA-N 407.251 4.865 0 40 HJAB Cc1ccc(Sc2ccc(NC(=O)COc3ccc(C(N)=O)cc3)cc2)cc1C 14092784 IFXZUNKAFDNWDT-UHFFFAOYSA-N 406.507 4.571 0 40 HJAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc(Cl)cc1C(F)(F)F 15227912 UFGOLJINHCTJOR-UHFFFAOYSA-N 418.853 4.936 0 40 HJAB CC(C)(C)c1ccc(-c2cc(C[C@H]3CNCC[C@H]3CC(=O)N3CCCCC3)no2)cc1 15673751 UFRKIXOITVIVRH-SFTDATJTSA-N 423.601 4.810 0 40 HJAB biogenic,in-vitro COc1ccccc1-c1cc2c(SCC(=O)Nc3ccc(Cl)cc3)nccn2n1 16842051 KWIALXVTLYFCFW-UHFFFAOYSA-N 424.913 4.789 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2F)cc1C 16955984 LUUKNMLAFKJJAX-UHFFFAOYSA-N 422.485 4.930 0 40 HJAB Cc1nc([C@@H]2CCCCN2Cc2ccccn2)ncc1C(=O)Nc1ccc(Cl)cc1 19753749 IAIRICITYLPSCZ-NRFANRHFSA-N 421.932 4.813 0 40 HJAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 20106868 DDBZKAQAZOEGFK-IBGZPJMESA-N 407.558 4.701 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2nc(CN3CCc4ccccc4C3)cs2)cc1 21681382 OAIMCQWOZYLTJJ-UHFFFAOYSA-N 407.539 4.741 0 40 HJAB CCOc1ccc(-c2nc(CSc3nnnn3Cc3ccccc3)cs2)cc1 23175134 NILBUXJCCHCEAX-UHFFFAOYSA-N 409.540 4.536 0 40 HJAB CC(=O)c1sc(NC(=O)Cc2csc(-c3ccco3)n2)nc1-c1ccccc1 24600426 IETGQAOMQCGVFX-UHFFFAOYSA-N 409.492 4.910 0 40 HJAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCSc2c(F)cccc21 24756919 VKHWKTJINVQDSV-CJNGLKHVSA-N 422.934 4.635 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(Cc2ccc(F)cc2)c1 27920537 ARRXEMJGDIMTFS-GFCCVEGCSA-N 408.260 4.783 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cn2cc(Br)cn2)cc1 27969860 NFJNALISLUFVOP-UHFFFAOYSA-N 408.658 4.739 0 40 HJAB Cc1ccc2c(c1)[C@@]1(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2 28464576 HGURFNINUQLLNN-ZJSXRUAMSA-N 415.880 4.997 0 40 HJAB CCOc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1 32870429 KCICYEJCXHMBMJ-UHFFFAOYSA-N 401.466 4.869 0 40 HJAB CC[C@H](C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 32903709 ZLQXJWGXMXEXFX-MAUKXSAKSA-N 420.600 4.609 0 40 HJAB COc1ccc([C@@H](C)NC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c23)cc1 36613385 CMSBDDXUMXVMGF-CQSZACIVSA-N 405.429 4.837 0 40 HJAB C[C@H]1CCCC[C@@H]1N1C(=O)[C@@H](CC(=O)Nc2ccccc2)n2c1nc1ccccc12 39964055 ARQJGEPDWWYSNZ-NBHGPNQESA-N 402.498 4.532 0 40 HJAB O=C(Nc1ccccc1)c1ccc(CS(=O)(=O)[C@@H]2CCCc3ccccc32)cc1 40127611 YACMALPNFWEGMH-HSZRJFAPSA-N 405.519 4.931 0 40 HJAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)cc1 40133864 QQPVGCGEEKLZJB-UHFFFAOYSA-N 422.478 4.523 0 40 HJAB C[C@H](C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)n1ccnc1 40143812 QOBXKMNIIIQFAX-QGZVFWFLSA-N 419.916 4.609 0 40 HJAB Cc1nc2ccc(C(=O)Nc3ccccc3-c3nc(-c4ccccc4)n[nH]3)cc2nc1C 40152020 ADJQHLXQCBOCAK-UHFFFAOYSA-N 420.476 4.951 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 44842057 JPOADSSIAPINIK-LJQANCHMSA-N 422.550 4.904 0 40 HJAB O=Cc1cc(Br)c(Br)c(Br)c1Br 51943791 LSNHXISZQQDLGG-UHFFFAOYSA-N 421.708 4.549 0 40 HJAB O=C(c1ccccn1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 72359531 HLCXBGODEJROFA-UHFFFAOYSA-N 412.415 4.577 0 40 HJAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(-c2ccccc2)o1 79189134 IGHZMHVUJAATKT-KNQAVFIVSA-N 402.402 4.509 0 40 HJAB biogenic O=[S@@](CCSc1nccc(C(F)(F)F)n1)c1cc(Cl)ccc1Cl 95360785 YRNFBHHYZACNED-HSZRJFAPSA-N 401.262 4.702 0 40 HJAB CC(=O)N(c1ccccc1)c1nc(/C=C2/N=C(c3cc(C)cc(C)c3)OC2=O)cs1 96635018 DVQIIDCIYKDXOJ-UDWIEESQSA-N 417.490 4.789 0 40 HJAB COc1ccc(N2C(=O)[C@H]3[C@H]4CCCC[C@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1 102961271 GECBHJXRQAUPDJ-XKPGHWPRSA-N 400.478 4.737 0 40 HJAB O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC[C@H]1c1ccsc1 106078177 QGZOJZOHDLBUKU-YOEHRIQHSA-N 409.477 4.742 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118916251 UWCHXMLXDXSLPL-LBFLDYCISA-N 418.647 4.647 0 40 HJAB O=C(NC1CCCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 197753337 MTPDEVDDISRENY-XMMPIXPASA-N 408.567 4.913 0 40 HJAB Cc1c(C(=O)O)c2ccccc2n1C(=O)C(C)(C)Oc1ccc(Br)cc1 216932254 UXSOMIICFZTUIS-UHFFFAOYSA-N 416.271 4.908 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cc(C)cc(C)c3)c2)cc1 222540068 YVANTZIWJWFYRE-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 223191835 SSGHSDFYCPFTSA-SFHVURJKSA-N 400.950 4.525 0 40 HJAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223486754 JCWHAPPCPXFFDO-QHCPKHFHSA-N 408.586 4.513 0 40 HJAB C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1 224027799 UAIMOOSORGFLEP-HNNXBMFYSA-N 414.914 4.632 0 40 HJAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(C)c3C)c2)c1 224131816 BMQGNQCWJQHXFZ-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c(Cl)c1 224406678 HUEPONICZZZAHV-UHFFFAOYSA-N 414.870 4.863 0 40 HJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)ccc1Br 224919143 QOBPLMDFZRCGNH-ZWKOTPCHSA-N 413.344 4.658 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 225041343 VYMNKZBPMHNLHP-LEWJYISDSA-N 424.585 4.829 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 225490369 QAGJXKRLWDDTKL-OFNKIYASSA-N 424.585 4.911 0 40 HJAB CCCO[C@](C)(C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1)C1CC1 225672806 BCCSOHMEODAIIP-DEOSSOPVSA-N 402.579 4.721 0 40 HJAB O=C(c1ccccc1Cn1ccnc1)N1CCC[C@@H](Cc2ccnc3ccccc23)CC1 257217759 DAMFHPUPVGLFOW-OAQYLSRUSA-N 424.548 4.965 0 40 HJAB O=C(CNC(=O)c1ccc(COc2ccccc2)o1)Nc1cc(Cl)cc(Cl)c1 408563332 VIZYMBXVTDIPQC-UHFFFAOYSA-N 419.264 4.534 0 40 HJAB CCOC(=O)COc1ccccc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O 409189636 MAPJQFQUUYIKMP-GZTJUZNOSA-N 417.870 4.523 0 40 HJAB Cc1nc(CN2CCC3(CC2)C[C@H](Cc2ccccc2)N(CC(C)C)C3=O)cs1 1615152377 AWQMZNMVJQZLPX-QFIPXVFZSA-N 411.615 4.533 0 40 HJAB COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1C1CCCCC1 924472 ICJQHSXGPQXBFO-UHFFFAOYSA-N 423.542 4.585 0 40 HJAB O=C(c1ccccc1)[C@@H](c1ccccc1)[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21 1624263 VWMXTTTURNAMRN-VGSWGCGISA-N 412.272 4.800 0 40 HJAB CCOc1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccccc4)cnn23)cc1 2372759 WXHLFYYHFURKDY-UHFFFAOYSA-N 418.522 4.834 0 40 HJAB Cc1cccc(C)c1Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 3259555 POLYYVRZMLQMDA-UHFFFAOYSA-N 410.568 4.970 0 40 HJAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2Oc2ccccc2)c1 3444242 AAVKBPLWYHMPJE-UHFFFAOYSA-N 401.871 4.788 0 40 HJAB C[C@@H]1CC[C@@H](C)N(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)C1 4164898 SJUIOMIHNPPKAB-SZXPJGKVSA-N 406.452 4.804 0 40 HJAB CCOC(=O)c1c(N2C(=O)c3ccccc3C2=O)sc2c1CC[C@@H](C(C)(C)C)C2 4783973 MSUOIUBDGKFOBY-CYBMUJFWSA-N 411.523 4.876 0 40 HJAB COc1cc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)ccc1OC(C)C 5164790 KFEOJWUZCJWSPS-DKOVKCOZSA-N 406.526 4.510 0 40 HJAB Cc1cc(C)c(NC(=O)[C@]2(N3CCC3=O)CC[C@@H]3Cc4ccccc4C[C@H]3C2)c(C)c1 5242581 ZTLLWPGTVMCZDW-KHVXQDHOSA-N 416.565 4.737 0 40 HJAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)c1ccccc1F 5356927 APEBIELTSYYBGG-UHFFFAOYSA-N 408.433 4.583 0 40 HJAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(C)c1C 6355920 VKCPQZJSKNQSEH-VTGBELTLSA-N 415.335 4.510 0 40 HJAB O=C(CSc1nnc(Nc2ccccc2)s1)NCC12CC3CC(CC(C3)C1)C2 6507365 DKFARUSDHVCONG-UHFFFAOYSA-N 414.600 4.706 0 40 HJAB COc1ccccc1NC(=O)c1nc(SCc2ccccc2F)ncc1Cl 6748042 SEDSPSLGFQVMKZ-UHFFFAOYSA-N 403.866 4.822 0 40 HJAB CN1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)c2nc3ccccc3nc21 7003962 VNIUSFGGXNOTMM-UHFFFAOYSA-N 410.477 4.909 0 40 HJAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccccc1F 7843615 UMWIBMVOVLXOQP-GFCCVEGCSA-N 402.520 4.524 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)c(C)c1 8810654 RLSCSVAHZZEEQK-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 8868745 DRQXLRUPACCJHX-LJQANCHMSA-N 408.325 4.888 0 40 HJAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(Cl)c3)cc21 8959789 QZKRAGPGDKSRLR-UHFFFAOYSA-N 400.906 5.000 0 40 HJAB COc1cc([C@@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)ccc1O 9350206 IKISJUQFPCZSOF-HSZRJFAPSA-N 415.424 4.680 0 40 HJAB CCCCN1C(=O)c2cccc3c(NC(=S)NC(=O)c4ccc(F)cc4)ccc1c23 9391412 QMWKXUIEMIZTKC-UHFFFAOYSA-N 421.497 4.866 0 40 HJAB O=C(COc1ccc(Br)cc1Cl)Nc1nc(-c2cccnc2)cs1 9467565 AGWBMTKEDITFMM-UHFFFAOYSA-N 424.707 4.639 0 40 HJAB Cc1cnc(NC(=O)COc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2)s1 9482398 QYGJQHMHUBLLEJ-UHFFFAOYSA-N 422.462 4.676 0 40 HJAB C[C@@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 9504069 ZSSGKBZTSYRFMC-QGZVFWFLSA-N 400.478 4.834 0 40 HJAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(F)cc1 9892137 OOBWMXAJSQDNDG-UHFFFAOYSA-N 421.453 4.769 0 40 HJAB O=c1nc(SCc2cccc3ccccc23)c2c(n1C[C@H]1CCCO1)CCCC2 10255544 BEIDSBNDSDZYRY-LJQANCHMSA-N 406.551 4.747 0 40 HJAB Cc1c(C)n(C)c2ccc(C(=O)N3CCC([C@H]4CC(=O)c5ccccc5O4)CC3)cc12 12088743 MCKSENHGHDSPNN-RUZDIDTESA-N 416.521 4.681 0 40 HJAB Cc1cc(-c2cnc(NCCCN(C)c3ccccc3)nc2-c2ccoc2C)on1 12223066 QGIJNCBYEQRCLZ-UHFFFAOYSA-N 403.486 4.947 0 40 HJAB Cc1cc(NC(=O)C2CCCCC2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 12442315 OWTANPRKKJUNHI-UHFFFAOYSA-N 410.499 4.552 0 40 HJAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-n2cccc2)cc1 12484380 VSNNFRQTWWIYMD-UHFFFAOYSA-N 416.308 4.885 0 40 HJAB CCCc1ccc(-c2nc(NC(=O)C3CCN(C(=O)C(C)C)CC3)sc2C)cc1 12741860 WMNWLBYOCNMLFC-UHFFFAOYSA-N 413.587 4.904 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 12742046 LKMKZPAZZDWVKH-HZPDHXFCSA-N 420.962 4.568 0 40 HJAB NC(=O)c1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)cc1 12746051 CXKVCFDUVPNOAN-UHFFFAOYSA-N 419.431 4.783 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1SCc1noc(C)n1 12876408 IMFGODHUABBFPG-UHFFFAOYSA-N 403.891 4.893 0 40 HJAB COc1ccc([C@@H](CNc2nc(C)nc3sc4c(c23)CCCCC4)N(C)C)cc1 13040751 XYEDCSSHDONMKY-LJQANCHMSA-N 410.587 4.992 0 40 HJAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)c2cccc(F)c2)n(C(C)C)c1C 13689437 KQNHASFFKGNYPS-UHFFFAOYSA-N 414.502 4.910 0 40 HJAB O=C(/C=C/c1sc2ccccc2c1Cl)OCC(=O)N1CCc2sccc2C1 14304766 NYMZYDDYJKNAIX-AATRIKPKSA-N 417.939 4.758 0 40 HJAB O=C(Nc1ccnn1Cc1ccccc1Cl)c1ccc(F)cc1Br 14635635 PHWDAZWNMRZAOI-UHFFFAOYSA-N 408.658 4.739 0 40 HJAB Cc1ccc(C)c(CN2C(=O)N(Cc3ccc(F)cc3)S(=O)(=O)c3ccccc32)c1 15868366 INKRKXGBDZTXQS-UHFFFAOYSA-N 424.497 4.774 0 40 HJAB Fc1ccc(-n2ncc(-c3nnnn3-c3ccccc3)c2-c2ccccc2Cl)cc1 16523956 AWULBFWCAUMDRF-UHFFFAOYSA-N 416.847 4.975 0 40 HJAB Cc1[nH]nc2c1[C@H](c1ccccc1)c1c(ncn3nc(-c4ccccc4Cl)nc13)O2 17090131 JFMYGKRTCNBCQT-KRWDZBQOSA-N 414.856 4.762 0 40 HJAB CCOCCCNc1nc(Nc2ccccc2C)c2cnn(-c3ccccc3)c2n1 17306915 YRWIBGIKLLPOJF-UHFFFAOYSA-N 402.502 4.706 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 17987733 LQOPOFPJRSVIOF-IYBDPMFKSA-N 416.399 4.637 0 40 HJAB CC(C)[C@H](NC(=O)c1ccoc1CN1CCCCC1)c1ccc2c(c1)OCCCO2 19445849 UMWINNDUCOVNBH-QHCPKHFHSA-N 412.530 4.554 0 40 HJAB CCn1cc(CN2CCC(c3cc(Cc4cccc(OC)c4)cc(C)n3)CC2)c(C)n1 19691845 JBCVKNHQKYDFTR-UHFFFAOYSA-N 418.585 4.894 0 40 HJAB COc1cccc([C@@H]2c3ccccc3CCN2C(=O)c2cc(C)nc3onc(C)c23)c1 19716659 DARRSDOIJIUQDE-HSZRJFAPSA-N 413.477 4.636 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C[C@H](O)CO[C@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 20109639 WWJTXTCUTDBECO-QBTGUUFSSA-N 423.041 4.609 0 40 HJAB CCCOc1ccc(C(=O)Nc2cccc(-c3nn4c(CCC)nnc4s3)c2)cc1 20609646 ARJNPXFSVWYFFR-UHFFFAOYSA-N 421.526 4.846 0 40 HJAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2nc(C)cs2)cc1 21482935 JFRHEJXYMPLOFM-UHFFFAOYSA-N 405.523 4.857 0 40 HJAB COc1ccccc1CNc1ncccc1C(=O)Nc1cccc(C(F)(F)F)c1 22053517 GCAWBLLBGLOZRH-UHFFFAOYSA-N 401.388 4.973 0 40 HJAB O=C(Cn1c(-c2ccccn2)nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 23144061 JHKPBVMTGNVYSQ-UHFFFAOYSA-N 412.371 4.636 0 40 HJAB COc1ccc(CC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1OC 25092471 PQIVPAUSJFCYLW-UHFFFAOYSA-N 405.454 4.529 0 40 HJAB CCN(Cc1csc(-c2ccc(Cl)cc2)n1)Cc1nc2ccccc2c(=O)[nH]1 25720964 YDYFFYKPOYSGOI-UHFFFAOYSA-N 410.930 4.722 0 40 HJAB Cc1nn(Cc2cccc(C(=O)N3c4ccccc4C[C@@H]3C)c2)c(C)c1Br 27970647 ADVVCEBHMAAICB-AWEZNQCLSA-N 424.342 4.902 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)cc1 27980653 DZZTZIZAJKGQPH-UHFFFAOYSA-N 418.291 4.555 0 40 HJAB CC(=O)N[C@@H](CC(=O)N1CC[C@H](C)Sc2ccccc21)c1ccc(Cl)cc1 36648389 NCSULYKSOLXQIR-KSSFIOAISA-N 402.947 4.825 0 40 HJAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1ccccc1SC[C@@H]1CCCO1 40112549 HXJNEBGLAHBCOG-SFHVURJKSA-N 407.495 4.792 0 40 HJAB Cc1nnc(SCCC(=O)Nc2ccc(Br)cc2)n1C1CCCCC1 40123003 ZVSAADFGXBTAAT-UHFFFAOYSA-N 423.380 4.975 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@H](NCCOc2ccc(C)cc2)c2ccccc2)c1 57572271 CKUYVLGQLFXKFQ-XMMPIXPASA-N 402.494 4.546 0 40 HJAB Cc1ccccc1Cn1ccc2ccn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c21 62007353 FBIDLMFKEZUVJZ-UHFFFAOYSA-N 423.875 4.591 0 40 HJAB Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)c1 67209137 GUQOXCQZPPGHJJ-UHFFFAOYSA-N 421.547 4.795 0 40 HJAB COc1cccc([C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)N2CCCC2)c1 72109454 IFIXSFJSLQAXNL-QFIPXVFZSA-N 412.961 4.724 0 40 HJAB O=C(c1ccc(Oc2cccc(Cl)c2)o1)N1CCN(c2ccccc2F)CC1 72264836 ZRNSCMSKTNNZMC-UHFFFAOYSA-N 400.837 4.827 0 40 HJAB CC[C@H](Oc1ccccc1F)C(=O)N1CCc2nc(-c3ccc(F)cc3)sc2C1 72391997 NMRZYLGAABGPSB-SFHVURJKSA-N 414.477 4.831 0 40 HJAB CCOCCn1/c(=N/C(=O)c2ccccc2Br)sc2cc(C)ccc21 100873254 WFDLQWWRELGDTN-VZCXRCSSSA-N 419.344 4.551 0 40 HJAB CCn1cc(-c2cc(C(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c3ccccc3n2)c(C)n1 101596804 APRSLILKLAXMSM-UIXUWTQFSA-N 402.542 4.981 0 40 HJAB O=C(Nc1ccc(F)c(F)c1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 216325546 HQNJQHSLOIIHHN-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCC[C@@H](C)C4)cc3)n2)c1 219241276 IKOABMAOSVZAPD-LJQANCHMSA-N 418.541 4.549 0 40 HJAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)c1 223676236 QJNHCJGEULMQCK-UHFFFAOYSA-N 415.536 4.797 0 40 HJAB CC(C)c1ccccc1OCCNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 223826336 CUSSSVWTAGNGAN-FQEVSTJZSA-N 414.977 4.871 0 40 HJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 224553193 RTUPKMULEYNNCS-MRXNPFEDSA-N 403.504 4.766 0 40 HJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224664306 LYDKFIVSNIZGSV-SFHVURJKSA-N 412.961 4.749 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 225134608 SJHMOSLODSHFAD-IAGOWNOFSA-N 418.990 4.764 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)N[C@@H](C)CC)cc1 225374318 AISSRBPOBQMEFZ-PMACEKPBSA-N 424.585 4.522 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 225525038 CMXSDGNYKHBSMZ-JTHBVZDNSA-N 424.585 4.713 0 40 HJAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1Cl 225570251 AYUCLKOLMLSUCZ-KRWDZBQOSA-N 417.933 4.749 0 40 HJAB COC(=O)c1cccc(NC(=S)NCCCSCc2ccc(F)cc2)c1C 225615455 NIWGTIZYGPFNPA-UHFFFAOYSA-N 406.548 4.531 0 40 HJAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(OC)c(OC)c2)cc1OCC 225749750 TVNOIRXJOUTVQO-AWEZNQCLSA-N 404.532 4.549 0 40 HJAB CC(C)COc1ccc(NC(=O)C2(NC(=O)c3cccs3)CC2)c2ccccc12 225930009 WGPJHBBYGZGJBJ-UHFFFAOYSA-N 408.523 4.837 0 40 HJAB COc1cc(Cl)nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)n1 225975648 LVQZWBAHBLPJGA-UHFFFAOYSA-N 411.358 4.590 0 40 HJAB Cc1nc(Nc2ncc(C)s2)cc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 257281876 ORIBKZAYIKVXED-UHFFFAOYSA-N 421.570 4.632 0 40 HJAB Cc1nc(N)sc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257291792 QIPVLVPICLHYCZ-MRXNPFEDSA-N 416.934 4.633 0 40 HJAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C)CC2)on1 257340523 ZGODBYAMLAUZPF-DDBAPUKQSA-N 410.562 4.784 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 408646750 UJRGEMIDXMIVGL-ZDUSSCGKSA-N 421.722 4.657 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)CCC(=O)Nc1cccc(Cl)c1Cl 408663825 OMZLWXPTSAIYSG-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3OC)nc2-c2ccccc2)cc1 408699883 WRZOXQGPRAGQPN-UHFFFAOYSA-N 414.465 4.594 0 40 HJAB O=C(NCC(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 408708896 VCKLOZVTCGMBQP-FQEVSTJZSA-N 418.924 4.641 0 40 HJAB CCOC(=O)N[C@H](CC(=O)Nc1ccc(Br)c(C)c1C)c1ccccc1 408981966 WWJRAOMTZPKXQC-GOSISDBHSA-N 419.319 4.882 0 40 HJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)CCCc3ccccc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409108633 XUPYUGIJLWHZTA-WWMYMODYSA-N 410.480 4.921 0 40 HJAB Cc1cc(C)cc(C2=CCN([C@H](C)c3nc(N)nc(Nc4ccccc4)n3)CC2)c1 1559657732 PKXXDCDHVMIPLP-GOSISDBHSA-N 400.530 4.665 0 40 HJAB O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912037 DMHVVTPHRCMHPP-FQEVSTJZSA-N 412.288 4.569 0 40 HJAB COc1ccc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1OC 1322729 JEFOPNKBVLVYKF-RUZDIDTESA-N 414.505 4.999 0 40 HJAB biogenic Cc1nc(SCC(=O)NCc2cccs2)c2c3c(sc2n1)C[C@@H](C)CC3 1326300 SHCJAIAVZPXSDW-NSHDSACASA-N 403.598 4.595 0 40 HJAB CC(=O)Nc1ccc(C(=O)COc2c(-c3ccccc3)oc3ccccc3c2=O)cc1 1993873 WIBDZYQIYZSEJQ-UHFFFAOYSA-N 413.429 4.680 0 40 HJAB Cc1ccc(-n2ncc3c2ncn2c(Cc4cccc5ccccc45)nnc32)cc1C 2439784 HWEWZJIGLSIKKA-UHFFFAOYSA-N 404.477 4.824 0 40 HJAB O=S(=O)(Oc1ccc(C2SCCS2)cc1)c1ccc(Br)cc1 2534620 DBDJKXDXJCPDGM-UHFFFAOYSA-N 417.371 4.695 0 40 HJAB COc1ccc(C(=O)c2cn(Cc3ccccc3OC)c3ccc(C)cc3c2=O)cc1 2692194 FQUJMABKRBPUHW-UHFFFAOYSA-N 413.473 4.606 0 40 HJAB O=C(CCSc1ccc(Cl)cc1)OCC(=O)c1ccc(OC(F)F)cc1 3273330 RWJJJFANWOFDPG-UHFFFAOYSA-N 400.830 4.850 0 40 HJAB C[C@H]1CCCN(C(=O)c2cc(-c3cccnc3)nn2-c2ccccc2C(F)(F)F)C1 3292842 SGYNHLQVXFICCS-HNNXBMFYSA-N 414.431 4.825 0 40 HJAB COC(=O)c1cccc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c1 3412200 SQWNKECJNGXRTH-UHFFFAOYSA-N 413.429 4.807 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@]32CCOC(C)(C)C2)cc1 4038638 JMYJAWUSQAQZRN-RDPSFJRHSA-N 408.498 4.533 0 40 HJAB biogenic COc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccc(Br)cc1)=N2 4129722 RHJOQJDWOYZFNV-UHFFFAOYSA-N 406.283 4.892 0 40 HJAB O=S(=O)(NCCSCc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl 4545814 KCDVQIOFYFNEPY-UHFFFAOYSA-N 410.775 4.859 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1cc(C)n(Cc2ccco2)c1C 4580635 CSPITOQRNZIMOB-UHFFFAOYSA-N 418.449 4.749 0 40 HJAB CC[C@@H](Sc1nnc(-c2ccc(N)cc2)n1CC)C(=O)Nc1ccc(Cl)cc1 4676086 KYKNNESZZDDJBQ-QGZVFWFLSA-N 415.950 4.710 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5099290 CXZUXWSVMIWOSN-UHFFFAOYSA-N 419.308 4.700 0 40 HJAB COc1ccc2sc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)nc2c1 5121529 BFXIVRCPTVNLMG-UHFFFAOYSA-N 405.523 4.667 0 40 HJAB C[C@@H]1c2cc3c(cc2CCN1CC(=O)Nc1cc(Cl)cc(Cl)c1)OCCCO3 5423542 PUHDMJIPMKOGKK-CYBMUJFWSA-N 421.324 4.713 0 40 HJAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(I)cc1 6277413 YTRNCVFJPAXHRJ-UHFFFAOYSA-N 409.267 4.741 0 40 HJAB Cc1ccc(C(=O)c2ccccc2C(=O)OCc2cn3cc(Cl)ccc3n2)cc1 6291894 CINIRXWYQJJKIW-UHFFFAOYSA-N 404.853 4.884 0 40 HJAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nnc(Nc2ccccc2)s1 6560295 SDMACFISPDSVGL-NSHDSACASA-N 416.494 4.563 0 40 HJAB COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1cccc(F)c1)oc1ccccc12 6933252 SODXRYZYERSIEP-CYBMUJFWSA-N 407.397 4.918 0 40 HJAB CCN1C2=C(C(=O)CCC2)C(c2ccc(Br)cc2)C2=C1CCCC2=O 6953030 DNQGHBUUCKCHAG-UHFFFAOYSA-N 400.316 4.882 0 40 HJAB COc1ccc(-c2noc(CN(C(=O)c3cccc(F)c3)C3CCCCC3)n2)cc1 7720282 QOHCPPNRIFGSGJ-UHFFFAOYSA-N 409.461 4.859 0 40 HJAB CCc1ccccc1N1C[C@H](C(=O)Nc2cc(C)c(Br)c(C)c2)CC1=O 7881975 GBRXSRPHNNTGRP-MRXNPFEDSA-N 415.331 4.620 0 40 HJAB CCc1ccc(N2C(=O)/C(=C\c3c(O)ccc4ccccc34)C(C(=O)OC)=C2C)cc1 8085556 ZWKHQUIRHCWVSD-JCMHNJIXSA-N 413.473 4.985 0 40 HJAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N[C@@H]1CCSc2ccccc21 8718398 BBYNONQXHXENAY-HXUWFJFHSA-N 408.571 4.915 0 40 HJAB CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1 8894140 QKGVYOGTPACXOX-OAQYLSRUSA-N 413.587 4.544 0 40 HJAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(OCc2ccccc2)c1 9095281 XACHTGZROZGETH-UHFFFAOYSA-N 419.868 4.899 0 40 HJAB CC(C)CCn1c(SCC(=O)NCCC2=CCCCC2)nc2ccccc2c1=O 11828860 HMBIKPGPFLRJCF-UHFFFAOYSA-N 413.587 4.541 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc3cc(C)c4cccc(C)c4n23)cc1 11903191 ZXJINJZKAZDREM-UHFFFAOYSA-N 406.511 4.629 0 40 HJAB C[C@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)c(Cl)c1 12763138 ORCOHFZKWKYQDI-LBPRGKRZSA-N 406.313 4.902 0 40 HJAB CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O 13712491 JOPGFTAAGWDFAX-LJQANCHMSA-N 408.951 4.647 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2C)cc1 13842431 BIXSLUUXKAQLOZ-UHFFFAOYSA-N 410.543 4.557 0 40 HJAB COc1ccc(-c2nn(CN(Cc3ccccc3F)C3CC3)c(=S)o2)c(OC)c1 14201700 OMCUKZSXJOQHDF-UHFFFAOYSA-N 415.490 4.651 0 40 HJAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)N(C)Cc2cccc(F)c2)cc1 14202045 SNYPVCPWEIXBHD-UHFFFAOYSA-N 420.484 4.678 0 40 HJAB CC[C@H](C)NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1 15018880 JGLYEAZIBOGFOJ-HNNXBMFYSA-N 406.511 4.687 0 40 HJAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)cc1 15778706 YUVVMLJRWHKVRQ-HXUWFJFHSA-N 419.868 4.918 0 40 HJAB Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@@H]2c2ccc(C)cc2)cc1 18093895 XFKPMLMJZTXYPT-HSZRJFAPSA-N 413.546 4.872 0 40 HJAB CN(C)c1cc(C2CCN(Cc3cccc4ncccc34)CC2)nc(-c2ccncc2)n1 19584616 FEJNVQBSWDCGAZ-UHFFFAOYSA-N 424.552 4.532 0 40 HJAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN2C(=O)c2ccccc2)n1 19690442 DXEPUZVYVFJRFG-FQEVSTJZSA-N 406.917 4.840 0 40 HJAB Cc1nn2c(ncc3c(=O)n(-c4ccc(F)cc4)ccc32)c1-c1ccc(Cl)cc1 19818869 BZQJXTBIBHBFGS-UHFFFAOYSA-N 404.832 4.801 0 40 HJAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 20106480 KWIGNAVQCDPFMO-HNNXBMFYSA-N 409.869 4.986 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccc(Cl)cc4)cnn32)c1 20718004 DWHUJQGWGLBACA-GOSISDBHSA-N 408.845 4.578 0 40 HJAB COc1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c(OC)cc1Cl 21900787 FTNDCXIPDMSWEP-UHFFFAOYSA-N 416.886 4.923 0 40 HJAB COc1c(Br)cc(F)cc1NC(=O)c1ccc(Br)cc1F 23514718 IPIOQCYMOCEUTB-UHFFFAOYSA-N 421.035 4.751 0 40 HJAB COc1ccc(OC)c(CN(C(=O)COc2cc(Cl)ccc2Cl)C2CC2)c1 25808630 HABBMLHWXVBHQI-UHFFFAOYSA-N 410.297 4.581 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1-c1cc2ccccc2o1 32579514 GRUQNLCRUIQLEZ-UHFFFAOYSA-N 410.474 4.890 0 40 HJAB COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 32905710 SZNKMBOZBXIGBQ-UHFFFAOYSA-N 418.280 4.835 0 40 HJAB CSc1ccc(Cl)c(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)c1 32911966 TUSADOMNUZPHOM-UHFFFAOYSA-N 403.857 4.708 0 40 HJAB CCc1cc(=O)n(CC(=O)Nc2cccc(C(C)C)c2)c(-c2cccc(Cl)c2)n1 57527778 FCNZOZHWIMLDMJ-UHFFFAOYSA-N 409.917 4.888 0 40 HJAB Cc1csc(NC(=O)c2c[nH]c3cc(Br)c(Br)cc23)n1 58326531 ZQMKTHCBTMKYPB-UHFFFAOYSA-N 415.110 4.710 0 40 HJAB CCCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)c(F)cc21 67340631 UVRBWCZIZOMEMQ-UHFFFAOYSA-N 411.857 4.566 0 40 HJAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1cnn(-c2ccc(F)cc2F)c1 84064778 RKQOVKMLSNBYIX-UHFFFAOYSA-N 416.478 4.574 0 40 HJAB Cc1cc(NC(=O)Cn2c(-c3cccc(Cl)c3Cl)nc3ccccc32)no1 84120053 LVUOFRXVPGAOJE-UHFFFAOYSA-N 401.253 4.945 0 40 HJAB COC(=O)C[C@@H](c1ccco1)c1oc(CSc2ccccc2Cl)cc(=O)c1O 95474905 RDBCQHJDBYFZJX-ZDUSSCGKSA-N 420.870 4.579 0 40 HJAB Cc1cc(C(=O)CS[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)c(C)[nH]1 97035924 OULOZUPFGSCPDO-LBPRGKRZSA-N 413.524 4.867 0 40 HJAB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 100822504 LUVGDQLCCMZRFO-GZSHBGDESA-N 404.869 4.610 0 40 HJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c1 101000634 CZNJUCWEUUULRC-FKBYEOEOSA-N 418.880 4.700 0 40 HJAB O=C(COc1ccccc1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 211132052 WMXKBSFXGUXTAN-UHFFFAOYSA-N 402.479 4.966 0 40 HJAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)c1 216033745 IOMAXKAZAKTEMJ-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB CCCOc1ccccc1CCCNC(=O)CCc1ccc(OCC)c(OCC)c1 219278869 KSCZOFSFLUZIFT-UHFFFAOYSA-N 413.558 4.954 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 222411492 CMJULHGUTIIHQK-OAQYLSRUSA-N 418.940 4.662 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CC(c1ccccc1)c1ccccc1 222432154 GOIZOGOHFSCEAR-OAQYLSRUSA-N 414.549 4.680 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 222732626 CHMPMJVFBCDSRC-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 223794293 FWZGBWUCYLJUFI-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 224578553 ZLVNWZRTVCYODO-QFIPXVFZSA-N 414.977 4.771 0 40 HJAB COc1ccc2cc(S(=O)(=O)NCCSCc3ccc(Cl)cc3)ccc2c1 225506009 SJPUNNDTBANRED-UHFFFAOYSA-N 421.971 4.714 0 40 HJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225688883 XEQZWZBCQYAAAV-ROKPMTFOSA-N 404.595 4.823 0 40 HJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)c1C 225791003 LMNMAAGIXTWOEN-INIZCTEOSA-N 400.544 4.542 0 40 HJAB COc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(C)cc2Br)o1 226764533 NIWQJITWKXCOGA-UHFFFAOYSA-N 401.260 4.861 0 40 HJAB CCCc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n(C)n1 257335373 YJWWHCWEURRBQE-IBGZPJMESA-N 412.921 4.582 0 40 HJAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 408664605 RPKOWORDXKEGCZ-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CC(=O)Nc1ccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)cc1 408679366 WFQXKFXJDXBMCJ-UHFFFAOYSA-N 415.424 4.525 0 40 HJAB O=C1/C(=C\c2ccncc2)N=C(c2ccccc2F)N1c1ccc(Br)cc1 408840239 CSKUDEKJZPENMZ-CPNJWEJPSA-N 422.257 4.818 0 40 HJAB Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1C 536087770 LJSUKRXWTPCNAF-UHFFFAOYSA-N 419.506 4.503 0 40 HJAB CC(C)=CC(=O)OC[C@]1(O)C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CCCC(C)(C)[C@@H]1C[C@H]3O 1615811899 HGXSLFHBGBEREA-HDUISLOCSA-N 404.591 4.631 0 40 HJAB biogenic COc1cc(C(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc(OC)c1OC 797338 YPAITLQVNQPXTB-UHFFFAOYSA-N 416.433 4.542 0 40 HJAB O=C1CS[C@H](c2ccc(Br)cc2)N1c1ccc(Br)cc1 1090315 VYVSRHOLFOPNGF-OAHLLOKOSA-N 413.134 4.990 0 40 HJAB O=C(c1ccccc1F)N(Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 1359873 HLQDJLYNNNOZGT-UHFFFAOYSA-N 421.859 4.558 0 40 HJAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[C@@H](C)Cc1cccc(C)c1 2371093 AIHUAHHEWFCXSK-INIZCTEOSA-N 408.498 4.869 0 40 HJAB CCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC 2411346 YJUQPUHTFZALFR-AKNQKSQZSA-N 406.526 4.511 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1F)N(CCCOC(C)C)C3=O 2412905 PFEHFPAGZHQRAK-JOCHJYFZSA-N 423.484 4.909 0 40 HJAB CCOC(=O)c1csc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n1 3209911 LCOOJVGBHGQIBV-UHFFFAOYSA-N 403.463 4.787 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)sc2c1CCCC2 3286473 XAJHQGQDEAHGAH-GFCCVEGCSA-N 407.919 4.863 0 40 HJAB COc1ccc([C@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)N2CCCCC2)cc1 3413667 RZPDFPGUNAUJRZ-NRFANRHFSA-N 420.475 4.600 0 40 HJAB COc1cc2ccccc2cc1C(=O)Nc1ccc(I)cc1 4150567 JRDZZGDPAGGMSP-UHFFFAOYSA-N 403.219 4.705 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 4248117 ZPIGFQPHLRRPSV-JOCHJYFZSA-N 415.445 4.570 0 40 HJAB O=C(Nc1ccc(F)c(F)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 4682307 REUHTMAQCGQALP-NRFANRHFSA-N 414.433 4.584 0 40 HJAB CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccccc1Cl 4691255 YJODESUIRBPNBB-AWEZNQCLSA-N 400.935 4.588 0 40 HJAB C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1ON(c1ccccc1)[C@@H]2c1ccccc1 4908922 JRYISFBJRDAFHH-LGVFNWMJSA-N 418.880 4.781 0 40 HJAB CCCCC1=NN(C(=O)COc2cc(C)ccc2C(C)C)[C@@](O)(C(F)(F)F)C1 5024522 FZXHAVUXGBCYFT-IBGZPJMESA-N 400.441 4.527 0 40 HJAB CC(C)C(=O)N1CCCc2ccc(NC(=O)c3ccc(Br)cc3)cc21 5136372 SLRXLIBIWHUBCV-UHFFFAOYSA-N 401.304 4.637 0 40 HJAB O=C1S/C(=C\c2c[nH]c3ccccc23)C(=O)N1Cc1cc2c(cc1Cl)OCO2 5203468 DOHQVMXRQPNNDB-FXBPXSCXSA-N 412.854 4.787 0 40 HJAB CCn1c(SCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)nnc1-c1ccccc1 5311641 QJMOBKIMBGJTBG-IBGZPJMESA-N 424.570 4.537 0 40 HJAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NC3CCCCC3)cc12 5941429 SOQLXKZYZOJORY-UHFFFAOYSA-N 423.582 4.947 0 40 HJAB COc1ccc(CNC(=O)[C@H](C)Sc2ncc(C(F)(F)F)cc2Cl)cc1 6898869 MANRSHYEVBIJOF-JTQLQIEISA-N 404.841 4.559 0 40 HJAB COc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccc4c(c3)CCC4)cc2)cc1 7518336 JHJGDKVHXGENBV-UHFFFAOYSA-N 400.478 4.617 0 40 HJAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN(C)Cc2ccsc2)cc1 7926933 MMWNYHHUFWJEJH-HSZRJFAPSA-N 419.550 4.566 0 40 HJAB CCOc1ccc(OCC(=O)Nc2scc(-c3cccs3)c2C(=O)OC)cc1 7996280 UOUZAOWMEMVQCA-UHFFFAOYSA-N 417.508 4.679 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2F)N1c1ccccn1 8642951 GBASRPHHQAWLCM-LJQANCHMSA-N 406.800 4.730 0 40 HJAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccccc1N1CCCC1 8727252 MSMWTZVBRLUKNA-QHCPKHFHSA-N 413.521 4.787 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C 9164724 UJOUNUIRCPSPCP-UHFFFAOYSA-N 400.906 4.926 0 40 HJAB CSc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1N 9220877 QXHAXNARIBKEDK-OAHLLOKOSA-N 422.506 4.967 0 40 HJAB CSc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1C 9810094 QDLATBLCWBWIES-LBPRGKRZSA-N 418.975 4.977 0 40 HJAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccc(Cl)cc1F 9821642 RCXAYVBIYXBAAL-UHFFFAOYSA-N 422.938 4.789 0 40 HJAB CN1C(=O)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2Oc2ccccc21 9827782 YVLRYQFAAJCBKF-UHFFFAOYSA-N 408.841 4.740 0 40 HJAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)[nH]1 10475499 YSEOGLYWBMWOLZ-UHFFFAOYSA-N 409.298 4.518 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 10979151 DDOMHLMQJKUTOM-MRXNPFEDSA-N 416.525 4.708 0 40 HJAB COc1cc(C(=O)Nc2nc3c(cc4c5c(cccc53)CC4)s2)cc(OC)c1OC 11852525 FXAACWMPVQEXMR-UHFFFAOYSA-N 420.490 4.826 0 40 HJAB Cc1ccc(N(C(=O)c2cc3c(s2)CCC3)C(=O)c2cc3c(s2)CCC3)nc1 12524560 HYBJGSMCVDQMFG-UHFFFAOYSA-N 408.548 4.978 0 40 HJAB c1ccc(-n2c(SCc3nnc(-c4cccs4)o3)nnc2N2CCCCC2)cc1 12543701 YSTYYDMYBWBLQY-UHFFFAOYSA-N 424.555 4.661 0 40 HJAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 12793099 MYRZGCJLENQFRC-KRWDZBQOSA-N 400.935 4.941 0 40 HJAB CCCCc1ccc(NC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 13713731 TZBIPPHYFGJURP-NRFANRHFSA-N 402.560 4.521 0 40 HJAB COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2F)cc1 13770459 SBJRLDYIRGWRDZ-UHFFFAOYSA-N 416.452 4.831 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)cc1 14123013 CVMWXPSZANVXEW-UHFFFAOYSA-N 410.543 4.557 0 40 HJAB CCOc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 14189977 UIADDRZGGSNSRU-NZQKXSOJSA-N 421.541 4.693 0 40 HJAB Fc1ccc(-c2nc(C3CC3)ncc2-c2nnnn2-c2ccc(Cl)cc2)c(F)c1 16429848 AKJBCUJTSNPPNZ-UHFFFAOYSA-N 410.815 4.595 0 40 HJAB Cc1nc([C@@H]2CCCCN2C(=O)c2oc3ccccc3c2C)nc2c1CCCN2C 19706104 BERSWGYVEPGNSC-IBGZPJMESA-N 404.514 4.589 0 40 HJAB CCOC(=O)c1cnc2cc(OC)ccc2c1Sc1nnc(-c2ccccc2)o1 19897625 VUJHCCDGUNRSHB-UHFFFAOYSA-N 407.451 4.621 0 40 HJAB Cc1cccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 20151549 IDZUHCLIBTZDJR-UHFFFAOYSA-N 400.887 4.528 0 40 HJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 20452743 GCNLYDHDESMYKK-OAQYLSRUSA-N 400.950 4.771 0 40 HJAB O=C(Nc1nc2ccccc2s1)c1ccc(Cn2cc(Br)cn2)cc1 27969972 LUFSFTYBRCYXLV-UHFFFAOYSA-N 413.300 4.556 0 40 HJAB O=C1CN(C(=O)CCc2ccccc2)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2N1 28048025 SZQFCNVJGQEURY-XMMPIXPASA-N 422.887 4.982 0 40 HJAB O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC[C@H]1c1nnc2n1CCCCC2 29249981 KQDUITBHXOAIIV-KRWDZBQOSA-N 420.538 4.603 0 40 HJAB O=C(Nc1ccc(F)cc1)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 33038212 SOCYNMWNFUBVHB-UHFFFAOYSA-N 416.456 4.859 0 40 HJAB Oc1nc(SCc2ccc(Cl)cc2)nc2c1CN(Cc1ccc(F)cc1)CC2 33287252 WMPPKLRFTCSPBA-UHFFFAOYSA-N 415.921 4.825 0 40 HJAB CSc1cccc(NC(=O)C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 48355432 KHIQRHXHVAJARM-UHFFFAOYSA-N 423.519 4.533 0 40 HJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ncccc1OCC1CCCCC1 58163038 PWLZQBFHJNIXGH-UHFFFAOYSA-N 424.476 4.801 0 40 HJAB Cc1oc(C)c(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)c1Br 58736779 JPVRKVVKBUVQQZ-UHFFFAOYSA-N 408.683 4.809 0 40 HJAB CC[C@@H]1CCCCN1c1cc(SCC(=O)Nc2cc(Cl)ccc2C)ncn1 67255837 LOBVWCKJSCXOGI-MRXNPFEDSA-N 404.967 4.938 0 40 HJAB O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1)N1CCc2ccccc2C1 71852302 MTRSMWJNQZVTQA-TZYHBYERSA-N 422.956 4.698 0 40 HJAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc(C(F)(F)F)c1 71980485 MCVUZFXJKQJAKZ-CZDRUDQFSA-N 413.436 4.564 0 40 HJAB CC(C)[C@H](CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)NC(=O)OC(C)(C)C 72286136 JOBCTJQHFVRCJK-AWEZNQCLSA-N 414.333 4.754 0 40 HJAB COc1cccc(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1OC 79352326 SCNVSWGBMPFFRN-LJQANCHMSA-N 409.461 4.600 0 40 HJAB CCC(=O)N1N=C(c2ccccc2OC)C[C@H]1c1cc2cc(OC)ccc2nc1Cl 89941555 KXRWTHQOWQKOEK-FQEVSTJZSA-N 423.900 4.993 0 40 HJAB CN(Cc1ccccn1)C(=O)c1cc2ccc(-c3ccccc3)cn2c1-c1cocn1 96155524 KICCNISNKNCZAU-UHFFFAOYSA-N 408.461 4.929 0 40 HJAB CCOc1ccc(/C=C2\SC(=O)N(CNc3cccc(F)c3)C2=O)cc1OCC 96562402 PSNCBICMSOXMNL-ODLFYWEKSA-N 416.474 4.729 0 40 HJAB CCOc1ccc(NC(=S)N2CCCC3=C[C@@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 100213613 DXSWMNINNXBTCY-DAVBRLECSA-N 411.615 4.677 0 40 HJAB biogenic O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)Nc1ccccc1C(F)(F)F 102187128 UGIJGMXEOBPKNS-NYYJTOMGSA-N 415.839 4.765 0 40 HJAB Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1C(=O)OC(C)C 102632597 XEGVHWKWMUAASM-KKUMJFAQSA-N 407.532 4.562 0 40 HJAB CCc1ccc(OCC(=O)NCCSCc2ccc(C)cc2)c(Br)c1 218859984 JMCRMJSYMSGWCJ-UHFFFAOYSA-N 422.388 4.748 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219324740 XINHWDQSPJWDHQ-OALUTQOASA-N 403.906 4.925 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 222585608 PJUBWUWVZIZXTG-FQEVSTJZSA-N 421.368 4.868 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 223745277 TZTVSRIFQYZNDX-QHCPKHFHSA-N 424.585 4.714 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1 224146867 XZPSYWHLGCCAPO-IBGZPJMESA-N 422.550 4.620 0 40 HJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)[nH]1 224514756 UDPPFJCEZRJEDP-ROUUACIJSA-N 413.344 4.658 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)c1 224731700 LODQGNSIJNPZOH-OAQYLSRUSA-N 406.570 4.712 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)N[C@H](C)CC)cc1 225084278 SHWBRFMARQCXED-NHCUHLMSSA-N 408.586 4.822 0 40 HJAB CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(OC)c(F)c1 225112216 FIFCZLILUCSMDA-UHFFFAOYSA-N 411.804 4.722 0 40 HJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 225196395 JNYJPXUMRODCQP-IBZADVPGSA-N 416.521 4.923 0 40 HJAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)NC(c1ccccc1)c1ccccc1 225725458 ZDGMJEKFZSIAOJ-UHFFFAOYSA-N 402.881 4.561 0 40 HJAB O=C(O)c1cnc(N2CCC[C@H]2c2cccc(F)c2)nc1CCCc1ccccc1 257248774 JFDHATQUBVRSPP-QFIPXVFZSA-N 405.473 4.831 0 40 HJAB Cc1ccn2c(CN3CCC(c4cccc(Nc5ccccn5)n4)CC3)c(C)nc2c1 257269373 MPRORDNQTRBNDL-UHFFFAOYSA-N 412.541 4.864 0 40 HJAB c1ccc(N2CCCC2)c(CN2CCOC[C@@H](Cc3cccc4cnccc34)C2)c1 1848355920 UDDJJAYBYUFNLE-NRFANRHFSA-N 401.554 4.526 0 40 HJAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccccc1Cl 915972 MSABBGNZRJROOU-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccccc3OCC)c2c1 952871 JYVJZWDAZFHKAV-UHFFFAOYSA-N 408.454 4.731 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)cc1 2759846 MJGAXOHUZGMGQD-CYBMUJFWSA-N 416.319 4.703 0 40 HJAB Cc1c(Cl)cnc(NC(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)c1Cl 3389954 YMGQRBKBOQRJNY-VIFPVBQESA-N 413.326 4.679 0 40 HJAB aggregator CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1 3499012 LGJWOVKJFNPAMV-CQSZACIVSA-N 400.935 4.588 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)N1CCCCC1 3561253 ZDEAUCQGKQSIAF-UHFFFAOYSA-N 400.544 4.545 0 40 HJAB CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)nc1C 3643169 YCSCOYMJJFAKMA-SFHVURJKSA-N 416.458 4.510 0 40 HJAB CCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccccc2)cc1 5002877 LANLPOBZIIZFNC-QFIPXVFZSA-N 408.498 4.627 0 40 HJAB O=C(Nc1ncc2c(n1)C[C@@H](c1ccc(Cl)cc1)CC2=O)c1ccc(Cl)cc1 5156878 QUNOZMUEXGNEDT-CQSZACIVSA-N 412.276 4.948 0 40 HJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)Nc1cc(F)ccc1F 5291194 WXMXLKKCMJHSOL-UHFFFAOYSA-N 410.420 4.577 0 40 HJAB O=C([C@@H](Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1)N1CCCC1 5565470 JDQIPTNWIQCODW-SFHVURJKSA-N 410.568 4.797 0 40 HJAB O=C(Cc1ccccc1)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 5616746 NNZKATDTVWBWBV-UHFFFAOYSA-N 405.454 4.690 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1OC 6246833 WQPHZGDXVMUVTJ-FYWRMAATSA-N 402.450 4.608 0 40 HJAB Cc1ccc(C)c(OCC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c1 6626291 KQYURRKINSHWKV-UHFFFAOYSA-N 411.889 4.577 0 40 HJAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)N(Cc2ccccc2F)c2ccccc23)cc1 6997223 BXSBIELASSFPIY-DEOSSOPVSA-N 418.493 4.614 0 40 HJAB O=C(CSc1nnc(Nc2ccccc2C(F)(F)F)s1)N1CCCCCC1 7309532 PWUFXGGXOVXDII-UHFFFAOYSA-N 416.494 4.795 0 40 HJAB Brc1ccccc1-c1nnc(CN2CCC(Cc3ccccc3)CC2)o1 7341692 LMSTUQKVKQDBFD-UHFFFAOYSA-N 412.331 4.954 0 40 HJAB CCCCCC(=O)NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1 8053563 VJUMUXBUVQAWLU-UHFFFAOYSA-N 409.349 4.780 0 40 HJAB COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(-n4cccc4)c3)cc2)cc1 8071141 KQYPSGVWNAUYFA-UHFFFAOYSA-N 411.461 4.991 0 40 HJAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N1[C@H](C)CCC[C@H]1C 8314192 IDPCCKQDLIQGNE-RBSFLKMASA-N 402.539 4.689 0 40 HJAB COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccs2)cc1 9191297 OZOZFQJGZNWMAS-UHFFFAOYSA-N 404.491 4.754 0 40 HJAB CC(C)C1CCC(C(=O)N[C@H](C(=O)Nc2ccc(Br)cc2)C(C)C)CC1 9195291 PNXTYFZANSFZLA-RJYAGPCLSA-N 423.395 4.991 0 40 HJAB COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(Cl)cc1C(F)(F)F)CC2 9302564 KMEBAZNJXJAGDA-UHFFFAOYSA-N 414.811 4.966 0 40 HJAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cc(-c2ccccc2)on1 9531718 ZQOJXPHAPIEOPP-SANMLTNESA-N 423.472 4.532 0 40 HJAB O=c1cc(-c2ccccc2)n2c(SCc3ccc(Cl)c(Cl)c3)nnc2[nH]1 9829348 NDYFLLSCJXOTIU-UHFFFAOYSA-N 403.294 4.684 0 40 HJAB COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3cccc(F)c3)nc12 9829770 AOBPHCICDPDFRV-UHFFFAOYSA-N 423.469 4.695 0 40 HJAB COCCN(Cc1ccccc1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 9987425 MPBSTKDCABNHRB-UHFFFAOYSA-N 421.522 4.915 0 40 HJAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc2c(ccc3ccccc32)s1 10218238 YVRUTFDVSQXVBF-UHFFFAOYSA-N 410.520 4.642 0 40 HJAB COc1ccc(NC(=O)c2sc(-c3c(F)cccc3OC)nc2C)c(OC)c1 12322180 GBAVRCZJOCXPHV-UHFFFAOYSA-N 402.447 4.536 0 40 HJAB O=C(Cc1c(F)cccc1Cl)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 12748943 BAMNPZNQNMAMLC-UHFFFAOYSA-N 411.786 4.924 0 40 HJAB O=C(CN(Cc1ccco1)C(=O)Cc1c(Cl)cccc1Cl)Nc1ccccc1 12896887 JDQSMCYFCIRXFC-UHFFFAOYSA-N 417.292 4.796 0 40 HJAB Cc1cc(C(=O)Nc2ccc(I)cc2)c(C)n1Cc1ccco1 12920921 BQTDQELWZHSABP-UHFFFAOYSA-N 420.250 4.603 0 40 HJAB COc1cc(/C=C/C(=O)NCc2ccc(-c3csc(C)n3)o2)cc(Cl)c1OC 12932078 ARYZZGLRCIOXLN-QPJJXVBHSA-N 418.902 4.712 0 40 HJAB CCOc1ccccc1NC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(C)nn2c1C 13635636 QRDPKOSHLNZAQN-UHFFFAOYSA-N 421.888 4.713 0 40 HJAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc2nc(C(F)(F)F)[nH]c2c1 13727996 TUSGOMQIVYKGEW-UHFFFAOYSA-N 406.795 4.689 0 40 HJAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]32C(=O)N(C)c3ccc(C)cc32)cc1 13810387 AOULRMHNQOUIKM-BVAGGSTKSA-N 409.489 4.676 0 40 HJAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)cc1 13871298 QKRMNVFJGUKWRQ-KRWDZBQOSA-N 424.570 4.865 0 40 HJAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(C2SCCCS2)cc1 14182020 LMACZFGUJSFKJG-OAHLLOKOSA-N 403.569 4.820 0 40 HJAB CC[C@H]1CCCCN1Cc1ccc(CNc2cc(C)nc3nc(-c4ccco4)nn23)o1 15780394 MVVWSZIXMPCJFP-KRWDZBQOSA-N 420.517 4.662 0 40 HJAB Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)noc2n1 19569051 AZTZZXMEKBDIRZ-UHFFFAOYSA-N 421.394 4.638 0 40 HJAB CC(C)n1c(CN2CCC[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)nc2ccccc21 19688266 DIOOYBUCQGCERV-HXUWFJFHSA-N 414.557 4.792 0 40 HJAB Nc1ccc(-c2ccc([C@@H]3CCCN3C(=O)CCc3cccc(Cl)c3)nc2)cn1 19688961 YZMUPKBMBBEVHY-NRFANRHFSA-N 406.917 4.676 0 40 HJAB CC(C)Oc1ccc(CNC(=O)COc2ccc(Cl)cc2Br)cc1 20462060 XRJRVQWTBSHNMF-UHFFFAOYSA-N 412.711 4.585 0 40 HJAB Cn1c(Cc2ccccc2)nnc1Sc1nc(-c2cccnc2)nc2ccccc12 25048601 PROQTBPFDAZGDY-UHFFFAOYSA-N 410.506 4.562 0 40 HJAB C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)cc2)C[C@@H](C)O1 25080987 WSDUDPYGJOQHTF-CALCHBBNSA-N 407.539 4.672 0 40 HJAB COc1ccc(CN(C(=O)COc2cc(C)c(Cl)c(C)c2)c2ccccn2)cc1 27661965 SPBOVMQVMTXFED-UHFFFAOYSA-N 410.901 4.973 0 40 HJAB Cc1nn(Cc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c(C)c1Br 27970627 KYPPVJUSPVMZEX-UHFFFAOYSA-N 419.710 4.611 0 40 HJAB CCCCN(CC)C(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 28494519 QXMZRCNCPOAJET-NTCAYCPXSA-N 420.962 4.803 0 40 HJAB CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(F)cc3)C(O)=NC2=S)cc1 33569888 FONKUGUMNVMIFD-XSFVSMFZSA-N 419.481 4.850 0 40 HJAB COP(=O)(OC)C1(O)[C@H]2CCC[C@@H]1[C@@H](c1ccccc1)N[C@H]2c1ccccc1 36498669 FVURVDZRDOAWTJ-SROUJUHQSA-N 401.443 4.663 0 40 HJAB Cc1nn(C)cc1-c1nn(Cc2cccc(Cl)c2)c(-c2cn(C)nc2C)c1Cl 36611648 OIJACJJDGFQGAA-UHFFFAOYSA-N 415.328 4.656 0 40 HJAB CCOc1cc(CN[C@H](C)C(C)(C)C)ccc1OCC(=O)N[C@@H](C)c1ccccc1 36612640 SBADCTQNEPPYJN-RBUKOAKNSA-N 412.574 4.866 0 40 HJAB COc1cccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)c1 41076875 YPMOUZJQYFWCOZ-UHFFFAOYSA-N 421.497 4.963 0 40 HJAB Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccc(F)cc1 45891031 KZBNASVLOJRIJO-UHFFFAOYSA-N 416.088 4.802 0 40 HJAB COc1ccc(Oc2ccc(CNC(=O)c3cc4ccc(F)cc4nc3C)cn2)cc1 48300240 NKTILBSODGBCED-UHFFFAOYSA-N 417.440 4.808 0 40 HJAB CSCC[C@H]1NC(=S)N(c2ccc(-c3ccccc3)c(C(F)(F)F)c2)C1=O 55180324 KQCBJAFVWSAQKV-MRXNPFEDSA-N 410.486 4.715 0 40 HJAB COc1ccc(C)cc1NC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487251 XBVLZNWGIDJHIU-UHFFFAOYSA-N 422.872 4.814 0 40 HJAB Cc1ccccc1-c1nc(Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c(C)o1 64977422 BTXWQQZMVORXRV-UHFFFAOYSA-N 414.440 4.622 0 40 HJAB C[C@H](NC(=O)NCCc1coc(-c2ccc(F)cc2)n1)c1ccc2c(c1)CCCC2 72083968 VBOSLRVPTDXXOI-INIZCTEOSA-N 407.489 4.962 0 40 HJAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2 84025464 ZUXORKHGMURVIA-UHFFFAOYSA-N 407.495 4.721 0 40 HJAB COc1ccc(-c2nc(NC(=O)c3cc4ccccc4c(OC)n3)sc2C)cc1 84057039 JRCCIDRJKQNFQP-UHFFFAOYSA-N 405.479 4.936 0 40 HJAB COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3c(C)cccc3C)n2)cc1F 98211451 BELFUWOUXNWRKN-UHFFFAOYSA-N 420.444 4.608 0 40 HJAB COc1ccccc1CN/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 103004436 YUICVDVDWIJWEK-XDJHFCHBSA-N 418.880 4.666 0 40 HJAB Cc1cc(Br)cc(Cl)c1OCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 105696494 OOGNZOFNGJOZQA-ABHRYQDASA-N 400.744 4.731 0 40 HJAB C[C@H](NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl)c1ccc(C(C)(C)C)cc1 222500026 FMEZMHKDRLRYMD-AWEZNQCLSA-N 422.978 4.524 0 40 HJAB CCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cc1 223374750 SFLXRXPGPGOIGC-UHFFFAOYSA-N 420.534 4.561 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(CC)cc1 223599801 GPGWICPPVGYTBJ-XMMPIXPASA-N 408.586 4.905 0 40 HJAB CCCC[C@@H](CC)CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 223844868 ONNFCJWNOYVRPR-LJQANCHMSA-N 416.587 4.766 0 40 HJAB C[C@@H](CNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 224547290 ZEPQUCPGLWCCKB-KRWDZBQOSA-N 415.375 4.581 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)c(I)c1 225013468 QZTFRFWJQKPFLI-UHFFFAOYSA-N 405.157 4.871 0 40 HJAB CC(C)Oc1ccc(CCCNC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225569475 KSEQYTMOSPREPV-UHFFFAOYSA-N 411.571 4.520 0 40 HJAB Cc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1N1CCCC1=O 225578904 KDSYQLXWFJPFDQ-GOSISDBHSA-N 409.555 4.711 0 40 HJAB CCC1(CC)C[C@H](NS(=O)(=O)c2c(C)cc(OC)cc2C)c2ccccc2O1 225864849 KYJOAMDILVJJME-IBGZPJMESA-N 403.544 4.673 0 40 HJAB CC(C)c1nc(Cc2ccc(NC(=O)c3ccccc3Br)cc2)no1 226093493 XWFGUISSTDQBEX-UHFFFAOYSA-N 400.276 4.799 0 40 HJAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc(/C=C/C(=O)O)ccc2Cl)cc1 226356913 FNOBGFGFQQUERU-VZUCSPMQSA-N 416.930 4.862 0 40 HJAB COc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccc(F)cc2)o1 227147614 OIZDEWHISXOPSZ-UHFFFAOYSA-N 405.223 4.691 0 40 HJAB CCCc1ccc(CN2C[C@H](c3ccc(OC)c(OC)c3)[C@H]3COCC[C@H]32)s1 257221711 DQFIHOUZDAQZHY-NJDAHSKKSA-N 401.572 4.722 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(O)c(Br)c3)N21 260763059 IHYPZFSBNFQPAP-DQYPLSBCSA-N 404.333 4.529 0 40 HJAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccccc2)cc1 408698820 PVQPSSGXRKGDLV-UHFFFAOYSA-N 402.429 4.724 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 408714883 YEQHRVREMXRACG-QGZVFWFLSA-N 407.514 4.768 0 40 HJAB CCOc1cc2c(cc1/C=C1/SC(=O)N(Cc3ccc(Cl)cc3)C1=O)OCO2 409099816 UHRXFJVGPRRGNP-QGMBQPNBSA-N 417.870 4.704 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3C)ccc2C)c1 409380258 AOVBWLMKPNPCJA-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB O=S(=O)(NCc1ccco1)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1 606422350 OWCWJYQKSZFARG-UHFFFAOYSA-N 414.870 4.734 0 40 HJAB Cc1ccc(CN2CCC3(CCCCc4ccccc4OCCN(C)C3=O)CC2)cc1 643566595 UXXLNTWSNHELLN-UHFFFAOYSA-N 420.597 4.841 0 40 HJAB CCC(CC)CN1CCC2(CC1)C[C@H](CC(=O)NCC(C)C)c1ccccc1O2 1201528324 OQIKEVJGUIEESN-NRFANRHFSA-N 400.607 4.986 0 40 HJAB COc1ccc(Oc2coc3cc(O[C@@H](C)C(=O)OCC(C)C)ccc3c2=O)cc1 710189 OLDNNVJTRLAPGV-HNNXBMFYSA-N 412.438 4.560 0 40 HJAB Cc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 848356 JTDJLNUBRJYKLR-UHFFFAOYSA-N 417.328 4.822 0 40 HJAB COc1cccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)n2)c1 1362484 BNABNQIURISULD-HNNXBMFYSA-N 412.877 4.810 0 40 HJAB CCOC(=O)C1=CN(c2ccc(C)cc2)C=C(C(=O)OCC)C1c1cccc(OC)c1 1438159 GENFODKXYHXHBC-UHFFFAOYSA-N 421.493 4.501 0 40 HJAB Cc1cccc(NC(=O)O[C@H](C)C(=O)OCCOc2ccc(Cl)cc2Cl)c1 1689080 MRVSREAYAYGTJA-CYBMUJFWSA-N 412.269 4.861 0 40 HJAB CCCSc1nnc2n(-c3ccccc3C)c(=O)c3c4c(sc3n12)CCCC4 2375134 QVQOIFLYYIXWDE-UHFFFAOYSA-N 410.568 4.784 0 40 HJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1ccccc1C(F)(F)F 3301982 FZTWMYSYIOIUDY-UHFFFAOYSA-N 414.383 4.538 0 40 HJAB Cc1ccc(C(=O)[C@H](OC(=O)c2ccc3c(c2)OCCO3)c2ccc(C)cc2)cc1 3348924 GOPFFEKVQQUREJ-XMMPIXPASA-N 402.446 4.856 0 40 HJAB Cc1sc(NC(=O)c2ccccc2I)nc1-c1ccccc1 3476515 ZFVYAAXSIUPNBX-UHFFFAOYSA-N 420.275 4.975 0 40 HJAB COc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1 3662851 AZROVIVDHCHVCG-ZHZULCJRSA-N 422.550 4.665 0 40 HJAB CCCC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@H]1c1ccc(OC)cc1 4816872 GLJYUUNXRYBWRT-VQTJNVASSA-N 410.905 4.808 0 40 HJAB COc1cccc([C@@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)c1OC 6679010 JFBNXYZNRVZXLM-BTYIYWSLSA-N 423.538 4.670 0 40 HJAB c1ccc(CC2CCN(c3nc4ccccc4c4nc(-c5cccnc5)nn34)CC2)cc1 6805437 FCFVWYGTBLIKGU-UHFFFAOYSA-N 420.520 4.799 0 40 HJAB CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cccc(C)c1C)S2 6812231 ZZNTWNLYBQRVBK-SFTDATJTSA-N 421.570 4.554 0 40 HJAB Cc1cccc2sc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)nc12 6937138 KTLDSEZYIDEPMD-HNNXBMFYSA-N 413.930 4.749 0 40 HJAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N(Cc1ccco1)Cc1cccs1 8074415 AYSHJWFVTPFRIL-AATRIKPKSA-N 401.871 4.965 0 40 HJAB CCc1ccc(OCC(=O)Nc2ccc(Br)cc2)c(Br)c1 8200254 DNGQVASYHLOMHR-UHFFFAOYSA-N 413.109 4.792 0 40 HJAB O=C(N[C@@H]1CCSc2ccccc21)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 8312029 KYYRAXBQTLPSKD-VQIMIIECSA-N 414.958 4.546 0 40 HJAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 8344556 KRDBYPYTIGIHOB-UHFFFAOYSA-N 419.529 4.624 0 40 HJAB CCCn1c(S[C@H](C)C(=O)Nc2ccccc2F)nc2cc(Cl)ccc2c1=O 8988565 JRJALXLCNKJROD-GFCCVEGCSA-N 419.909 4.718 0 40 HJAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(F)cc1F 10138381 QPKNVXFPHZRDPU-AWEZNQCLSA-N 408.452 4.588 0 40 HJAB O=c1[nH]c(CN2CCCC[C@H]2c2nc3ccccc3s2)nc2ccc(Cl)cc12 12727498 AELAXXYKULNQSK-KRWDZBQOSA-N 410.930 4.913 0 40 HJAB COc1cc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)c(OC)cc1Cl 13677174 YZOGUYYGPGCZIL-UHFFFAOYSA-N 410.706 4.606 0 40 HJAB COc1cccc(-c2nc(CC(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)cs2)c1 13684531 DHQPYWQRURLPHA-HNNXBMFYSA-N 405.523 4.590 0 40 HJAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1cccc(Br)c1 16028134 DTMGKDCUAIZEBN-UHFFFAOYSA-N 424.707 4.883 0 40 HJAB COc1cccc(CNc2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)c1 19565711 DNNWMBVOXJVHEP-UHFFFAOYSA-N 412.449 4.555 0 40 HJAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN2C(=O)c2cn(C)nc2C)n1 19690716 YXSFLQGKEHXPHP-JOCHJYFZSA-N 408.933 4.653 0 40 HJAB CCCOc1cccc(C(=O)Nc2cccc(-c3nn4c(CCC)nnc4s3)c2)c1 20609648 ABEDLTCBKMNSSC-UHFFFAOYSA-N 421.526 4.846 0 40 HJAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2cc(Br)ccc21 20762977 IWTRWWOCJKFKAC-CQSZACIVSA-N 410.315 4.633 0 40 HJAB biogenic O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1cccc2c(Cl)cccc12 21124739 DWFIITPZVVLXOD-UHFFFAOYSA-N 405.870 4.912 0 40 HJAB O[C@H](COCc1ccc(Cl)cc1)Cn1c(COc2ccccc2)nc2ccccc21 22082375 BTDKFPDJSBSWON-FQEVSTJZSA-N 422.912 4.846 0 40 HJAB O=C(Nc1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1)c1ccco1 22411631 BZZIIAJKYJNSQS-UHFFFAOYSA-N 417.295 4.701 0 40 HJAB O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC(c2ccc(O)cc2)CC1 32753500 AOPOTYALECYUTO-UHFFFAOYSA-N 403.453 4.782 0 40 HJAB COc1ccc([C@H](C)NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1F 33160303 CBGQOHJXZAIZDG-ZDUSSCGKSA-N 418.921 4.955 0 40 HJAB CN(C)c1ncccc1C(=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1 36848731 BZDDVALWPYLAJR-UHFFFAOYSA-N 407.326 4.754 0 40 HJAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 39763842 PFPZYBTYCYCCKQ-QGZVFWFLSA-N 402.941 4.829 0 40 HJAB Cc1ccc(-c2nc(-c3nnc(-c4ccccc4)s3)c(N3CCOCC3)o2)cc1 41154364 SXFUFNRMSOKABW-UHFFFAOYSA-N 404.495 4.672 0 40 HJAB CC(C)c1nnc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)s1 44910474 HHJOKASDTHRUPQ-UHFFFAOYSA-N 419.304 4.864 0 40 HJAB O=C(COc1ccc(C2SCCCS2)cc1)N1CCC[C@H]1c1ccccn1 55520917 VVOKAXZOXZWQBV-IBGZPJMESA-N 400.569 4.693 0 40 HJAB Cc1ccc(-c2csc3nc(CN4CCC[C@@H]4c4cccn4C)[nH]c(=O)c23)s1 57292112 AGKXGVQDRHKCCJ-MRXNPFEDSA-N 410.568 4.697 0 40 HJAB CC(C)Nc1ncc(-c2ccccn2)c(C2CCN(C(=O)c3ccccc3F)CC2)n1 72337683 CGGNWXCXBGXYDY-UHFFFAOYSA-N 419.504 4.518 0 40 HJAB CC(C)(C)n1cc(C(=O)Nc2ccccc2N2CCCCC2)c(Br)n1 96001594 KJARVOUAYHMPDR-UHFFFAOYSA-N 405.340 4.643 0 40 HJAB Cc1ccc(NC(=O)c2cc(-c3cnc(N(C)C)nc3)cn2CC2CC2)cc1Cl 96037647 NTVDHQJAFARQLK-UHFFFAOYSA-N 409.921 4.635 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(F)cc2Cl)S1 96118444 OBCGQQQDKNVMSQ-BLLLJJGKSA-N 409.914 4.985 0 40 HJAB O=C1Nc2cccnc2Sc2ccc(NC(=O)c3nc(Cl)ccc3Cl)cc21 96231288 KGHTYPVPZUZXOP-UHFFFAOYSA-N 417.277 4.753 0 40 HJAB CCN(CC)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 97656544 WNFGEEFCPNEYDE-PEZBUJJGSA-N 420.534 4.808 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@H]3C2=O)c(C)c1 101220824 HFOLDOQWPQYRAR-SGNDLWITSA-N 412.489 4.663 0 40 HJAB CCOc1ccc(N2C(=O)/C(=C\Nc3ccc(Cl)cn3)c3ccccc3C2=O)cc1 101775693 GQRHBVVJDRXVBS-ZHZULCJRSA-N 419.868 4.774 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 222399760 MXHQVRKPXMOADW-DEOSSOPVSA-N 424.585 4.829 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 223221962 ARXRSRSPNRDCTQ-QFIPXVFZSA-N 424.585 4.713 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 223621296 WRCGNTPLNVCYSR-HXUWFJFHSA-N 408.586 4.779 0 40 HJAB Cc1ccc(CN(C(=O)CCCOc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224195130 XBUUFJULLLFBIE-QFIPXVFZSA-N 424.585 4.652 0 40 HJAB CC(C)n1cnc2cc(C(=O)N(CC(=O)O)Cc3ccc(Cl)c(Cl)c3)ccc21 257298685 RMWKVUCYPRDFNI-UHFFFAOYSA-N 420.296 4.651 0 40 HJAB CC(C)(C)C(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 408628775 XHSRLPAHCBLLGT-UHFFFAOYSA-N 403.891 4.713 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(Br)c1OCC 409065218 FDBNAHFCFMJKDJ-ZROIWOOFSA-N 414.321 4.691 0 40 HJAB CCOc1cc2c(cc1/C=C1/SC(=O)N(Cc3ccccc3Cl)C1=O)OCO2 409105713 JESGPIDZLPLDNY-QGMBQPNBSA-N 417.870 4.704 0 40 HJAB Cc1cc(C)cc(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1 409118462 QJSCOWPXQATIEY-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc(F)c4)cc3)C2=O)c1 409237243 IWJOKXZOLHIJAM-OEAKJJBVSA-N 416.452 4.806 0 40 HJAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccccc2C(C)C)n1C 409350570 YNXPJBNRWGCGLS-UHFFFAOYSA-N 424.570 4.865 0 40 HJAB Cc1ccc(OCC2(O)CCN(C[C@]3(O)CC[C@@H](c4ccccc4)CC3)CC2)c(C)c1 585286803 IXWBBCXZNUCGGQ-OGLKEZPNSA-N 423.597 4.598 0 40 HJAB Cc1nccc(NCc2cccc(C(=O)N3[C@@H](C)Cc4cc(F)ccc4[C@H]3C)c2)n1 1596409116 INEAAMOBFKFNJY-JKSUJKDBSA-N 404.489 4.684 0 40 HJAB COc1ccc(-c2ccc3c(N)c(C(=O)NCc4ccc(C)cc4)sc3n2)cc1 661581 SGFQUGPMDXRHQI-UHFFFAOYSA-N 403.507 4.793 0 40 HJAB aggregator COc1ccccc1/C=C/[C@@]1(C(=O)NC2CCCCC2)CC(=O)N1c1ccc(C)cc1 1380436 SEKCSPPVTBVAGH-ZOGILVBSSA-N 418.537 4.641 0 40 HJAB CCc1cc(-c2nc(N)ncc2-c2csc(-c3ccccc3)n2)c(O)cc1OC 1508857 FCDFYONJBZVAIH-UHFFFAOYSA-N 404.495 4.793 0 40 HJAB CC(C)c1cc(C(F)(F)F)nc(NNc2nc(C(C)C)cc(C(F)(F)F)n2)n1 1852074 AKHFOJODMTWXAB-UHFFFAOYSA-N 408.350 4.990 0 40 HJAB in-vitro Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1 2255242 SJBGRDLTAGYTNG-BJKOFHAPSA-N 410.452 4.938 0 40 HJAB O=C(c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCCCCC1 2364161 JODRCOJKCZQUEU-DGCLKSJQSA-N 416.831 4.806 0 40 HJAB CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1ccc(Br)cc1 2721898 YPQNEZBZBHGKHZ-UHFFFAOYSA-N 418.316 4.916 0 40 HJAB O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)Nc1ccccc1F 3228611 XZTNLAROCMFDNQ-UHFFFAOYSA-N 418.399 4.976 0 40 HJAB Cc1cccc(CSc2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)c1 4507880 VARDBXGLXYWIGP-UHFFFAOYSA-N 412.518 4.693 0 40 HJAB C[C@@H](NC(=O)CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)c1ccccc1 4742845 KLEJPCWSIFJSAQ-NSYGIPOTSA-N 409.489 4.591 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)c2nc3ccccc3[nH]2)cc1OC 5027309 WLKUKVVCHULREC-AQTBWJFISA-N 405.479 4.570 0 40 HJAB CCN(CC)CCN(C(=O)c1cccc(F)c1)c1nc2c(OC)ccc(C)c2s1 5122175 MONSHQACJQBFCU-UHFFFAOYSA-N 415.534 4.741 0 40 HJAB CCOc1ccccc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 5185785 LHTPZNXDWIWFJB-UHFFFAOYSA-N 401.466 4.653 0 40 HJAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccc(Cl)c2)cc1OC 5256260 LPNZTJGUJNDPKP-OAQYLSRUSA-N 411.889 4.796 0 40 HJAB Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@H]2c2ccc(C)o2)c(C)c1 5451032 VLAJZHFNNMFZIX-XMMPIXPASA-N 402.494 4.943 0 40 HJAB CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(C)cc3)=NN12 5478066 MELZUANDKQOKHQ-JOCHJYFZSA-N 405.542 4.749 0 40 HJAB COc1ccc(OCC(=O)O[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1 5994807 GLAINMFVALHPEA-RUZDIDTESA-N 404.462 4.858 0 40 HJAB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)cc1 6961664 BYVFLIYEEQNKPB-UDWIEESQSA-N 409.848 4.984 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc2ccccc12 7653942 VPDBRUQOFKXVHR-UHFFFAOYSA-N 408.523 4.575 0 40 HJAB Cc1cc(-c2csc(CC(=O)NCc3ccccc3)n2)c(C)n1Cc1ccco1 8103165 FNZSGBBDTLOMIW-UHFFFAOYSA-N 405.523 4.729 0 40 HJAB Cc1ccc2[nH]c(CSc3nnc(NC(=O)c4ccccc4C)s3)cc(=O)c2c1 8598039 GLFZBPLMIKXNAC-UHFFFAOYSA-N 422.535 4.541 0 40 HJAB Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CCCC(=O)O)C1 8624102 AAQDYZARWBIMEO-UYAOXDASSA-N 423.557 4.570 0 40 HJAB biogenic,in-vitro CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(I)o3)C(=O)O2)cc1 8767485 IVSWAQQEHWBLKN-GXDHUFHOSA-N 421.234 4.526 0 40 HJAB O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N(Cc1ccccc1F)C1CC1 9219198 MGMMVNWQFUIRGR-UHFFFAOYSA-N 407.816 4.851 0 40 HJAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1ccccc1Cc1ccccc1 9338315 SSOZHLABRALNLX-UHFFFAOYSA-N 408.914 4.933 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3cccc(C(F)(F)F)c3)n2)cc1 9508226 YDDOAVNJIZAKAX-UHFFFAOYSA-N 419.428 4.969 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)C3CCCCC3)s2)cc1Cl 9599866 FMOOVWATTKDGOG-UHFFFAOYSA-N 424.979 4.750 0 40 HJAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccco4)c3[C@@H]2c2cccs2)cc1 9679548 POHKKJOJPVCJCW-FQEVSTJZSA-N 419.462 4.658 0 40 HJAB COCCCn1c(Sc2ncnc3sccc23)nnc1-c1ccccc1Cl 9950990 BLKBHSWZXGOVSZ-UHFFFAOYSA-N 417.947 4.791 0 40 HJAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 10361431 OPYNHOSBEFIJFG-UHFFFAOYSA-N 412.536 4.603 0 40 HJAB COC(=O)c1ccc(NC(=O)Cc2csc(SCc3ccc(C)cc3)n2)cc1 11027674 MBYHCQKNWWLBCE-UHFFFAOYSA-N 412.536 4.712 0 40 HJAB CCCc1ccc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)cc1 11869944 BTIICCFZAMBKQG-UHFFFAOYSA-N 408.951 4.575 0 40 HJAB CC(C)C(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)CC1 12182517 UPNWCVAHPDBHNW-JKSUJKDBSA-N 400.489 4.579 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](c1ccccc1F)c1nccn1C 12549661 DBVPDFWZAJRLKU-KPZWWZAWSA-N 422.287 4.539 0 40 HJAB O=C(c1ccc(F)cc1Cl)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 12777540 DCUQTTACSLDNIS-UHFFFAOYSA-N 415.921 4.561 0 40 HJAB COc1ccc(CCNCc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1OC 13687870 OSHVKUVUYJLWPO-UHFFFAOYSA-N 415.873 4.648 0 40 HJAB COc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2cc(C)ccc2C)cc1 15413201 AYLRVICSWMKFOW-VWLOTQADSA-N 414.505 4.742 0 40 HJAB NC(=O)c1ccc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 16705784 QTFIMWZLMJKXPL-UHFFFAOYSA-N 400.356 4.849 0 40 HJAB Cc1cc(-c2cnc(C3CCN(C(=O)C4[C@H]5CCCC[C@@H]45)CC3)nc2C(C)C)on1 19121599 NPVRJYFXDMUBDS-HTZLVSCSSA-N 408.546 4.706 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)c2cccc(Cn3nc(C)cc3C)c2)c(OC)c1 19574498 FQYGUJZYBICKKX-HSZRJFAPSA-N 419.525 4.543 0 40 HJAB CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(Cc4cccnc4)C3)cc(C(F)(F)F)c12 19695955 IYUVHPZAHJLGRC-OAHLLOKOSA-N 418.467 4.572 0 40 HJAB Cc1nc(C2CCN(Cc3ccccc3)CC2)ncc1C(=O)Nc1ccc(F)cc1 19763966 VKOOMLGMQOJHOQ-UHFFFAOYSA-N 404.489 4.556 0 40 HJAB Cc1c(C(=O)Nc2ccccc2C(F)(F)F)nnc2c(-c3ccc(F)cc3)cnn12 19817149 YNZYWXJKTFAIBU-UHFFFAOYSA-N 415.350 4.510 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 20568068 CKAGJUOMCYEATH-UHFFFAOYSA-N 422.550 4.776 0 40 HJAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1cccc(O)c1 21005562 YEQDAFIMJADGIU-QHCPKHFHSA-N 411.461 4.731 0 40 HJAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(Br)cc1F 21122614 KZFNAWVQHWLFRL-UHFFFAOYSA-N 424.657 4.863 0 40 HJAB COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCCC2)c1 21581229 RRWJOFDJADGSSP-UHFFFAOYSA-N 404.510 4.820 0 40 HJAB O=C(CCCCc1nc2ccccc2s1)N1CCN(C/C=C/c2ccccc2)CC1 23990128 SFRWDUSANRDGLI-DHZHZOJOSA-N 419.594 4.867 0 40 HJAB Cc1cccc(C)c1NC(=O)c1ccc(CSc2nnnn2-c2ccccc2)cc1 32117640 GZPLKPWRDONKBT-UHFFFAOYSA-N 415.522 4.824 0 40 HJAB O=C(c1ccc2ncsc2c1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 32480043 COMQJBHDAJWGMW-UHFFFAOYSA-N 408.504 4.976 0 40 HJAB O=C(COc1ccc2ccccc2c1Br)N1CCC[C@@H]1c1ccncc1 32809328 NBDGTEGKXKZGCF-GOSISDBHSA-N 411.299 4.740 0 40 HJAB C[C@H](Sc1nnc([C@H](C)Oc2ccc(F)cc2)o1)C(=O)Nc1ccc(Cl)cn1 32945461 BQHUXEGZSSFIQI-QWRGUYRKSA-N 422.869 4.516 0 40 HJAB Cc1ccc(NC(=O)CSc2nc(N3CCCCC3)nc3ccccc23)cc1F 33114726 PWHPYMCYSQXKSA-UHFFFAOYSA-N 410.518 4.798 0 40 HJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(-n4cccn4)cc3)c12 36614132 UWILOAPPMSGHJZ-UHFFFAOYSA-N 413.412 4.775 0 40 HJAB Cc1occc1-c1nnc(S[C@H](C(=O)NC(C)(C)C)C(C)C)n1-c1ccccc1 43276322 MRPIDLQKBUWDNF-SFHVURJKSA-N 412.559 4.867 0 40 HJAB CC(C)Oc1cccc(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 44882684 XNSOHZHCFGWQLW-UHFFFAOYSA-N 414.549 4.962 0 40 HJAB C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)cc1F 57363700 FYCXWLRCHZSNLA-HNNXBMFYSA-N 409.436 4.506 0 40 HJAB Cn1ccnc1-c1cccc(NC(=O)c2c(Br)c3ccccc3n2C)c1 65074047 KEMICTFIXGVACO-UHFFFAOYSA-N 409.287 4.594 0 40 HJAB Clc1ccc(-c2nnc(Cc3nc(-c4ccc(Br)cc4)no3)o2)cc1 67246230 ODEYYDHHGGLRDM-UHFFFAOYSA-N 417.650 4.793 0 40 HJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(OCCC)cc2)cc1 72328986 KDJQSNYMOLIJDZ-UHFFFAOYSA-N 407.514 4.974 0 40 HJAB COc1ccc(OC)c(CN(Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)c1 72395088 LRKQGXPLCYJSSX-GBXCKJPGSA-N 421.541 4.809 0 40 HJAB O=C(C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21)NC1CCC1 96052759 YBTZLPNSMDYYPR-HXUWFJFHSA-N 406.545 4.906 0 40 HJAB Cc1ccccc1CSCC(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 96248317 CNIFNMQMAYBFRY-UHFFFAOYSA-N 401.919 4.590 0 40 HJAB COC(=O)/C=C1/CC[C@H]2[C@@H]3CC=C4C=C(N5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118928984 WWWFGNPHCWUJER-IOMCXBSKSA-N 409.570 4.817 0 40 HJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219034164 COEHTDHPDHTJOZ-AWEZNQCLSA-N 407.857 4.627 0 40 HJAB CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220716041 VPOQHCVDZOYCMD-SFHVURJKSA-N 422.978 4.757 0 40 HJAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223355119 BILNOUHWHLJLEN-SANMLTNESA-N 414.549 4.916 0 40 HJAB CCC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223594278 FDUYKXRSYPTXRA-DYESRHJHSA-N 400.950 4.605 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCSc1ccc(C)cc1 223845688 SXBRCPXAGDJGKJ-GOSISDBHSA-N 416.562 4.560 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(C)cc1 223925031 LNOUDTPSGNZUKM-JOCHJYFZSA-N 408.523 4.677 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSc1ccccc1 224032735 VTOOKHGJYMSPHH-JOCHJYFZSA-N 412.599 4.545 0 40 HJAB CCOc1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)cc1 224272334 ZHWLSDVSZIOLFE-JCMHNJIXSA-N 420.534 4.543 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 224593906 ODROVFKQCYNVFG-QFIPXVFZSA-N 412.599 4.667 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224775987 WWSJHJQREHCMLC-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225011660 DYDGIQPAKJTFHP-HZPDHXFCSA-N 421.368 4.868 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 225131942 KEWFVVJAQRYLSZ-SJORKVTESA-N 418.940 4.662 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 225154032 HGOHJCIHXTWPLR-CVEARBPZSA-N 421.368 4.868 0 40 HJAB CN(C)C(=O)c1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cc1 225610790 RZYZKZUYTJFTBU-UHFFFAOYSA-N 422.019 4.652 0 40 HJAB Cc1cc(Nc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cc3cccnc23)[nH]n1 257304206 SKMMEWDDSKMZSA-UHFFFAOYSA-N 408.506 4.519 0 40 HJAB CC(=O)Nc1ccc(CN2CCC(c3cccc(Nc4ncccc4C)n3)CC2)cc1 257344365 ZWWWGRJUVITYRX-UHFFFAOYSA-N 415.541 4.867 0 40 HJAB CCOc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 409174268 USSSGPRGQAEIQW-UHFFFAOYSA-N 420.383 4.604 0 40 HJAB Cc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cc(Cl)ccc2C)C1=O 409360217 ZEADNNPCWLITQH-RQZCQDPDSA-N 400.887 4.632 0 40 HJAB CS(=O)(=O)c1csc(C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)c1 502941380 ORTPIBAWRRSKJL-UHFFFAOYSA-N 407.900 4.850 0 40 HJAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCCCN1C(=O)CC1CC1 643583548 AYKWKBUZJQPHNJ-NRFANRHFSA-N 414.590 4.755 0 40 HJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 814029 IMJBJPVXAGYUHJ-UHFFFAOYSA-N 410.282 4.822 0 40 HJAB O=C1C(Cl)=C(Nc2cccc(F)c2)C(=O)N1c1cc(C(F)(F)F)ccc1Cl 940330 KBJLSNGSKGMRTB-UHFFFAOYSA-N 419.161 4.934 0 40 HJAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)C2CC2)cc1 1336079 OHNKDHWBNAPBEG-QHCPKHFHSA-N 410.583 4.780 0 40 HJAB CCOC(=O)C(Cc1ccc2c(c1)CCC2)(Cc1ccc2c(c1)CCC2)C(=O)OCC 1855720 LNDPOFBAESHPRZ-UHFFFAOYSA-N 420.549 4.562 0 40 HJAB CC(C)C[C@H](C)NC(=O)[C@H](C)Oc1ccc(Br)cc1Br 2065859 BLHDLBZVGKBGJM-QWRGUYRKSA-N 407.146 4.530 0 40 HJAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1 2344946 ULVBBWYDFIVUAI-UHFFFAOYSA-N 405.479 4.553 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Nc3ccccc3C)s2)c1C 3364836 GBERUMXYLKBPPF-UHFFFAOYSA-N 400.529 4.713 0 40 HJAB O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)c1c[nH]c2ccccc12 3445068 ZOZMBDUUJHGTNH-UHFFFAOYSA-N 403.507 4.968 0 40 HJAB Cc1cc2oc(=O)cc(COC(=O)c3ccccc3NCc3ccco3)c2cc1C 3450043 YWLADMKHECVJBF-UHFFFAOYSA-N 403.434 4.972 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)c4c(C)nn(C(C)=O)c4C[C@H]32)C1 4023876 LFSRWPRCKLPVBQ-RJBKZOIGSA-N 410.558 4.760 0 40 HJAB CC[C@@H](C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 4217983 QNUJTBFTWXWHMM-GOSISDBHSA-N 414.571 4.548 0 40 HJAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NCCc4ccccc4F)c(C)c32)c1C 5235707 QYHDQPGGIJBLPX-UHFFFAOYSA-N 421.468 4.813 0 40 HJAB COc1ccc2sc(N(Cc3ccccn3)C(=O)c3ccc(C(C)=O)cc3)nc2c1 5264986 MHHROZZBUKUXRO-UHFFFAOYSA-N 417.490 4.750 0 40 HJAB O=C(COc1ccc(-c2nc3ccccc3s2)cc1)Nc1ccc2c(c1)OCO2 5475922 VXNZJOIUPFTZCE-UHFFFAOYSA-N 404.447 4.710 0 40 HJAB Cn1c(SCCCC(=O)c2ccc(Br)cc2)nnc1-c1ccco1 5864320 JRIDUTDOXMBOQM-UHFFFAOYSA-N 406.305 4.593 0 40 HJAB Cc1ccccc1CN(C)C(=O)COC(=O)Cc1coc2ccc3ccccc3c12 6156343 FGNNJZVCMUZGGD-UHFFFAOYSA-N 401.462 4.639 0 40 HJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(F)c(F)cc1Cl 6509509 PBQPUCLIJYDWIR-UHFFFAOYSA-N 402.832 4.855 0 40 HJAB COc1ccccc1[C@H](CNc1ncnc2sc3c(c12)CCCC3)N1CCCC1 6510684 UUVYHGCOQBJRMN-SFHVURJKSA-N 408.571 4.828 0 40 HJAB COc1ccc2c(c1)/C(=C1\N=C(c3ccccc3)OC1=O)C=C(c1cccs1)O2 6759636 GGYVMRNAYMGJHL-FXBPSFAMSA-N 401.443 4.905 0 40 HJAB CC(C)Cn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nnc1-c1ccccc1F 6886375 MWVIQLJUDIYSJI-FRQCXROJSA-N 418.582 4.773 0 40 HJAB C[C@H]1CCc2sc(C(=O)OCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cc2C1 7159221 FAWIMDHDEMLNIN-FOLPRYHFSA-N 415.599 4.751 0 40 HJAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(Cl)cc1 7388437 IZWMRYUJAARYFC-UHFFFAOYSA-N 413.886 4.621 0 40 HJAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)COc1ccc(Br)cc1Cl)C2 7989669 LQXUXTBFWOJPLA-BKGUAONASA-N 400.744 4.812 0 40 HJAB O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(N2CCCC2)cc1 8156479 SKBHAAIWHKJLOX-UHFFFAOYSA-N 415.493 4.557 0 40 HJAB CCCCOc1ccc(C(=O)NC(=S)NC2CCCCC2)cc1Br 8564116 FBLYXTBZNMHJNS-UHFFFAOYSA-N 413.381 4.565 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nc3nc(C)cc(C)n3n2)c2ccccc2)c1 8982712 FVJUMEGUXRYRIQ-HXUWFJFHSA-N 417.538 4.830 0 40 HJAB Cc1cc(N2CCCC2)ccc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 10085116 HNCRIKHZUZZWBM-UHFFFAOYSA-N 404.514 4.592 0 40 HJAB COc1cccc2c1O[C@H](c1ccc3c(c1)OCO3)N1N=C(c3cccs3)C[C@H]21 10216111 YTNPAFNRCZQCGT-OPAMFIHVSA-N 406.463 4.728 0 40 HJAB O=C(O)C[C@H](O)C[C@@H](O)/C=C\c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 11616584 VGYFMXBACGZSIL-ZSBDSZQGSA-N 421.468 4.518 0 40 HJAB CCOc1ccccc1C(=O)Nc1nc(-c2ccc(Br)cc2)ns1 11916096 BFCYSBIACIWGFI-UHFFFAOYSA-N 404.289 4.619 0 40 HJAB COc1ccccc1Nc1ncccc1C(=O)N(C)Cc1ccccc1N1CCCC1 12554606 BVQRRLKJKKUVQX-UHFFFAOYSA-N 416.525 4.706 0 40 HJAB Cc1ccc(OCC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c2c1[C@H](C)CC2=O 12736720 ZXTZLVCXGVJQEP-KGLIPLIRSA-N 405.416 4.960 0 40 HJAB CCCc1cc(-c2nc(C)c(C(=O)N3CCN(c4ccccc4F)CC3)s2)ccn1 13725230 JOQKKQGVNLWZGK-UHFFFAOYSA-N 424.545 4.568 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccc(OC(F)F)cc1 13985797 QEVRRFNKHGVKCA-UHFFFAOYSA-N 422.482 4.674 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2F)c1 17206309 ZBJQSBQYADTULJ-UHFFFAOYSA-N 422.485 4.930 0 40 HJAB CN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 18940959 AAFXXXAMXQKDAN-UHFFFAOYSA-N 404.262 4.894 0 40 HJAB CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(Cc4cccc(C)n4)C3)noc2n1 19522017 XUTPVSYHSFFMKW-CQSZACIVSA-N 404.436 4.887 0 40 HJAB COc1ccc(CN(Cc2cccnc2)C(=O)c2cc3cc(OC)ccc3o2)cc1 19554803 FPEKBIJGVIZLSF-UHFFFAOYSA-N 402.450 4.688 0 40 HJAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)c4cc(C(C)C)no4)C3)noc2n1 19568783 SIVPBDNRCHIOMZ-GFCCVEGCSA-N 422.407 4.681 0 40 HJAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 20454106 FOANTPLSYHTIGN-UHFFFAOYSA-N 408.523 4.594 0 40 HJAB CCOP(=O)(OCC)c1nc(-c2ccc(OC)cc2)oc1NCc1ccccc1 27025514 ZAYSNEPPUZPFEB-UHFFFAOYSA-N 416.414 4.854 0 40 HJAB CCc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)N2CCCC2)cc1 28292664 FOUMMQPBHORUJO-JOCHJYFZSA-N 418.537 4.539 0 40 HJAB COc1cc(CNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)ccc1OC(C)C 30860111 RCGANABLQYDSPQ-IBGZPJMESA-N 410.558 4.644 0 40 HJAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1(c2ccc(C(C)(C)C)cc2)CCCC1 32423488 PIVOEKRPYSGSCN-UHFFFAOYSA-N 417.553 4.691 0 40 HJAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4F)s3)CC2)cc1 32816039 QAVSMBAFHXIOEO-UHFFFAOYSA-N 408.498 4.719 0 40 HJAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccccc4)o3)C2=O)o1 35132415 INUATXXBTBOPAF-WOJGMQOQSA-N 409.419 4.563 0 40 HJAB O=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1cccc(C(F)(F)F)c1 35598170 MNLXSPNAPXCTQT-UHFFFAOYSA-N 424.386 4.677 0 40 HJAB CC(C)CC(=O)OC[C@@]1(O)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 40564923 FIOZUJXSEZUYCS-MTSAZYMTSA-N 420.590 4.804 0 40 HJAB biogenic,in-vitro CC1(C)C[C@@H](NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc2O1 44918369 YPCPQEQKPMZCLM-OAQYLSRUSA-N 412.961 4.971 0 40 HJAB Cc1cc(Nc2ccc(NC(=O)c3c[nH]c4ccccc34)cc2)nc(N2CCCC2)n1 49028129 QDJGAYMHWIYFFE-UHFFFAOYSA-N 412.497 4.862 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@@H](c3nccnc3-c3ccc(F)cc3)C2)cc1 72358792 QQTVSZPERPVARI-HXUWFJFHSA-N 419.500 4.630 0 40 HJAB COc1ccccc1C[C@@H](C)Nc1cc(Cn2c(C)nc3ccccc32)nc(C)n1 72373231 DRPDUAAIZNPDCM-MRXNPFEDSA-N 401.514 4.543 0 40 HJAB CCOc1cc(Br)c(COc2ncnc3ccccc23)cc1OCC 82086841 GVIXCOPMYLIDMK-UHFFFAOYSA-N 403.276 4.769 0 40 HJAB COc1cc(C)ccc1O[C@@H](C)C(=O)NCc1sc(-c2cccs2)nc1C 90592684 YXJPTUUKVSCCLR-AWEZNQCLSA-N 402.541 4.581 0 40 HJAB CCOCCC1(CNC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CCCC1 95993262 KBXHTJWOJXKONS-FQEVSTJZSA-N 401.595 4.596 0 40 HJAB CCN1CCN(c2ccc(NC(=O)C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)cc2C)CC1 102120147 GSHOQKHLSGGOHF-UOYQGRGCSA-N 416.009 4.653 0 40 HJAB O=C(O)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 106699384 VNMRHMBORUVRBC-CHHVJCJISA-N 408.262 4.928 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 223745215 TZTVSRIFQYZNDX-HSZRJFAPSA-N 424.585 4.714 0 40 HJAB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccccc3CN3CCCCC3)cc2)C1 224834487 ICFUKGAUSYHJID-QFIPXVFZSA-N 419.613 4.834 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 225003340 MUTZIDOWGVQRLE-HXUWFJFHSA-N 424.585 4.695 0 40 HJAB CCOC(=O)c1cc(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)ccc1Cl 225704775 QWVZOXVLLCDRTA-IBGZPJMESA-N 418.946 4.889 0 40 HJAB CC(C)c1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)cc(Cl)c2Cl)cc1 226354873 QTXJBVUHDVNAIZ-UHFFFAOYSA-N 411.310 4.942 0 40 HJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)Cc3ccc(C)s3)CC2)n1 257212127 CCAZGDQNMQEADK-UHFFFAOYSA-N 409.555 4.926 0 40 HJAB CCn1cc(CN2CC[C@H](c3cc(Nc4nc(C)c(C)s4)cc(C)n3)C2)c(C)n1 257258781 KVMNTDDNIHGAED-SFHVURJKSA-N 410.591 4.721 0 40 HJAB Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)s1 257272430 NCJKAWHLJFXMJD-GOSISDBHSA-N 415.946 4.898 0 40 HJAB O=C(O)c1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1)Cc1ccccc1 257283718 OZNRKEAHTGEBQN-UHFFFAOYSA-N 409.869 4.646 0 40 HJAB Cc1cccc(-c2ccc(CC3(C(=O)N(C)C)CCN(C(=O)C(C)(C)C)CC3)cc2)c1 257284661 PDRYQQAUWDBGCG-UHFFFAOYSA-N 420.597 4.948 0 40 HJAB Cc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)[C@@H]3Cc2ccccc2)s1 257287504 PQGMMKCLJOAQEH-YLYPHGCXSA-N 423.626 4.849 0 40 HJAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3c(F)cccc3F)sc2n1 408635489 CCQZRDQKFOOPSF-UHFFFAOYSA-N 420.510 4.934 0 40 HJAB COc1ccc(OCc2cccc(C(=O)Nc3ccn(Cc4ccccc4)n3)c2)cc1 653027 OIYJRLNNQDJKJD-UHFFFAOYSA-N 413.477 4.771 0 40 HJAB COc1ccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1OC 660304 FFDIBDMYVUUJDD-UHFFFAOYSA-N 411.508 4.877 0 40 HJAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 883190 MGJJRMVXXTVBOS-UHFFFAOYSA-N 403.507 4.829 0 40 HJAB O=C(Nc1ccc(Cl)cc1)OCCOCCOC(=O)Nc1ccc(Cl)cc1 1600168 SRFFEWSZZGYBIQ-UHFFFAOYSA-N 413.257 4.807 0 40 HJAB COc1cc(OC)c([C@@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)c(OC)c1 2146011 XMQWMTWBFQYAMD-LOSJGSFVSA-N 420.461 4.614 0 40 HJAB CC(=O)Nc1ccc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 2634531 KIEZGDRIDVHFRN-DEOSSOPVSA-N 412.445 4.907 0 40 HJAB Cc1ccccc1O[C@@H]1C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 2740865 SRBMJECEOPMKOG-GOTSBHOMSA-N 421.880 4.908 0 40 HJAB Cc1cc(C(F)(F)F)n2nc(-c3nnc(-c4cccc(C(F)(F)F)c4)o3)cc2n1 2803816 KYIIQLZELBWXGZ-UHFFFAOYSA-N 413.281 4.792 0 40 HJAB CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)C(C)(C)C 3295688 ADTCVVXVRSLTSS-UHFFFAOYSA-N 406.602 4.907 0 40 HJAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1Cl 3318521 MAQNZDOEFAMOIK-UHFFFAOYSA-N 405.281 4.979 0 40 HJAB COc1cccc(/C=C(/C(=O)OCC(=O)Nc2cccc(C)c2)c2ccccc2)c1 3333609 FBNQLRZFHJUEFH-XQNSMLJCSA-N 401.462 4.726 0 40 HJAB CCCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC 3999951 OGLZRSRKWCTZHY-ZUSJUXBOSA-N 420.553 4.901 0 40 HJAB biogenic COc1ccc2[nH]cc(CCNC[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@H]34)c2c1 4040024 FGIKHFZJZSAPJO-LXRCUPKFSA-N 422.569 4.767 0 40 HJAB biogenic CN(C)c1nc(-c2ccccc2OC(F)(F)F)nc2c1CCN2c1ccccc1 4623515 ROCRJWIFEQOBER-UHFFFAOYSA-N 400.404 4.802 0 40 HJAB C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1ON(c1ccccc1)[C@H]2c1ccccc1 4908904 JRYISFBJRDAFHH-YZUZCNPQSA-N 418.880 4.781 0 40 HJAB Cc1ccc2sc(N(CCN(C)C)C(=O)c3ccc4ncsc4c3)nc2c1C 5121574 FLDFLYMMNYUAID-UHFFFAOYSA-N 410.568 4.731 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2ccccc2C)n1CC 6225733 JLFXJICLOKZFSF-UHFFFAOYSA-N 424.570 4.787 0 40 HJAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N1CCc2ccccc2C1 7160782 IJWKTRGRHHPNOO-ZDUSSCGKSA-N 417.456 4.714 0 40 HJAB CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)c3ccc(F)c(F)c3)cc2)cc1 7562799 OGLLJXUIBSOZQY-UHFFFAOYSA-N 410.372 4.597 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](NC[C@H]1COc2ccccc2C1)c1ccccc1 9315074 KRQPQYTZIDADTM-DFBJGRDBSA-N 416.521 4.524 0 40 HJAB COc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3Cl)SC2)cc1OC 9454742 PHFMDONTUFUWPR-UHFFFAOYSA-N 421.309 4.627 0 40 HJAB COCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](c1cccs1)C3 10156934 QDODRCYLQXLAFT-ZDUSSCGKSA-N 424.913 4.565 0 40 HJAB COC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 12396041 GZWWUNGFGIDWQZ-UHFFFAOYSA-N 417.440 4.899 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(Cl)ccc1N1CCCC1 12557383 MKKURSBADACUAI-QFIPXVFZSA-N 409.917 4.843 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 12757302 VQGZYHBKHKKZDD-UHFFFAOYSA-N 418.534 4.684 0 40 HJAB COc1ccccc1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 12761042 BBKMNXUAUINMDX-UHFFFAOYSA-N 403.301 4.757 0 40 HJAB Cc1sc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)nc1-c1ccc(F)c(F)c1 12979280 RUQIYVMBLHPZAW-OAQYLSRUSA-N 414.433 4.507 0 40 HJAB C[C@H](OC(=O)c1cccnc1Sc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1 15127413 QLAJTAHBLUEALX-CVEARBPZSA-N 424.497 4.795 0 40 HJAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 15136182 OSUYOZFBISAGAE-UHFFFAOYSA-N 401.462 4.704 0 40 HJAB COc1ccc(CCNCc2ccc(OCc3ccccc3C)c(OC)c2)cc1OC 16362780 CJKRFUVKCVGXRH-UHFFFAOYSA-N 421.537 4.932 0 40 HJAB COc1ccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1Cl 18185202 CKOPILJGQYIOQR-UHFFFAOYSA-N 402.903 4.874 0 40 HJAB Cc1cc(-c2cncnc2-c2ccc(CNC(=O)c3csc(C)c3C)cc2)on1 19124364 IEDITJSTAFHETG-UHFFFAOYSA-N 404.495 4.715 0 40 HJAB Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)c4ccccc4F)C3)noc2n1 19568820 ABTZKAHFAANAKR-LBPRGKRZSA-N 407.367 4.709 0 40 HJAB Cc1cc(-c2cn[nH]c2)cc([C@H]2CCCN2Cc2cc3ccccc3nc2N(C)C)n1 19691044 JIHSXKOFYQHSRX-XMMPIXPASA-N 412.541 4.731 0 40 HJAB Clc1cccc(-c2nccnc2[C@H]2CN(Cc3cccc4ncccc34)CCO2)c1 19693277 RMILECLNIVPSPL-JOCHJYFZSA-N 416.912 4.919 0 40 HJAB FC(F)(F)c1ccc(OCCc2cc([C@H]3CCCN3Cc3ccccn3)n[nH]2)cc1 19703694 WDEJLDJIIQSOGC-OAQYLSRUSA-N 416.447 4.782 0 40 HJAB COc1cc(OC)c(OC)cc1CN1CCN(C2CCC(c3ccccc3)CC2)CC1 19889640 BUTFWBNZGZNKOL-UHFFFAOYSA-N 424.585 4.556 0 40 HJAB CC(C)Oc1ccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 22605294 PTRSGQQZIVLFKJ-UHFFFAOYSA-N 421.566 4.555 0 40 HJAB CN(C)[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1cccs1 22989315 RMDGCGFRLHRQOF-SFHVURJKSA-N 422.579 4.695 0 40 HJAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 25680613 XIMWIRMKTIHZAE-KOSHJBKYSA-N 418.537 4.652 0 40 HJAB CC(=O)NCCc1ccc(C(=O)CSc2nc(C)c(C)n2C2CCCCC2)s1 26107876 OSZSVVLVLCEUCO-UHFFFAOYSA-N 419.616 4.720 0 40 HJAB Cc1cccc(Cn2cc(Br)c(NC(=O)c3c(F)cccc3F)n2)c1 28228897 JTNVZUDFFYQVEJ-UHFFFAOYSA-N 406.230 4.533 0 40 HJAB CN(Cc1cc(=O)n2c(-c3ccccc3)csc2n1)Cc1ccc(Cl)s1 32512854 NNYBHTWRSQWHIN-UHFFFAOYSA-N 401.944 4.770 0 40 HJAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Sc1ccccc1 32910188 BWFXUIHKIUBSNN-UHFFFAOYSA-N 417.939 4.904 0 40 HJAB C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)c1ccc2c(c1)NC(=O)CO2 35870855 XNSMBDXHRXPUSQ-SECBINFHSA-N 404.900 4.644 0 40 HJAB CN1C(=O)c2ccccc2[C@H](C(=O)Nc2nc3ccccc3s2)[C@H]1c1ccccc1 36354906 MEXCUENPHMSICU-LEWJYISDSA-N 413.502 4.846 0 40 HJAB Cc1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)c(C)c1 38486537 PLEDKUKYGWKJAE-UHFFFAOYSA-N 407.470 4.520 0 40 HJAB CC(=O)N(c1nc(COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cs1)c1ccc(F)cc1F 40040850 DJHCDSOCUVNIEG-ZNMIVQPWSA-N 420.481 4.975 0 40 HJAB C[C@H](NC(=O)CSc1ccncc1)c1ccc(NC(=O)Nc2ccccc2)cc1 53261361 UNOAYMKOORXMSO-INIZCTEOSA-N 406.511 4.695 0 40 HJAB O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1ccccc1CCc1ccccc1 60018433 HHZZDCVVWALXIS-UHFFFAOYSA-N 422.528 4.612 0 40 HJAB Cc1ccc(C)n1-c1nc(CC(=O)Nc2ncc(Cc3ccccc3)s2)cs1 69926021 ZQGAFZXSRATBBC-UHFFFAOYSA-N 408.552 4.779 0 40 HJAB COc1ccc(-n2cc(C(=O)Nc3cccc4[nH]ccc34)c3ccccc3c2=O)cc1 71283977 XHJBOAFXYVJJLZ-UHFFFAOYSA-N 409.445 4.733 0 40 HJAB Cc1c(Cl)cccc1NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 71761788 MVBKEQUJKVXRTM-UHFFFAOYSA-N 423.991 4.632 0 40 HJAB COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 72349587 XTZUZMVPXJVXFI-LJQANCHMSA-N 404.485 4.845 0 40 HJAB CC(C)n1cc(CCCC(=O)NCCc2nc3ccccc3n2C)c2ccccc21 79493212 QSRXCWOQHAKPJI-UHFFFAOYSA-N 402.542 4.791 0 40 HJAB CC(=O)N(c1nc(Cn2sc3ccccc3c2=O)cs1)c1cccc(C)c1C 84213396 PYPMEVJNDHXFEW-UHFFFAOYSA-N 409.536 4.869 0 40 HJAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCO[C@H](c2ccccc2)C1 95473897 LNWAFMUNPQEDPZ-GGAORHGYSA-N 408.929 4.916 0 40 HJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3ccncc3)CC2)on1 100743794 YMQSZOUJFGJDLX-HDICACEKSA-N 419.529 4.662 0 40 HJAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 222818685 JNFUNQNSGWQQBZ-UXHICEINSA-N 419.579 4.863 0 40 HJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccccc2)c1C 222871206 IBDASTSXEBFOSY-PKTZIBPZSA-N 404.583 4.931 0 40 HJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)OC)cc2)o1 222902309 GPGOFHSNTGHWHR-RTWAWAEBSA-N 421.522 4.511 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 223135680 RTFATHZPUZKORG-NRFANRHFSA-N 412.599 4.891 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 223226719 YFANQNRIJKYCCR-HXUWFJFHSA-N 423.538 4.889 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223812989 WZVQFIKBANVJEP-NRFANRHFSA-N 420.597 4.966 0 40 HJAB Fc1ccc(CCCNC(=S)Nc2ncc(Cl)cc2Br)cc1 223964972 YXODLPPGKCTVBP-UHFFFAOYSA-N 402.720 4.556 0 40 HJAB O=C(NCCOCc1ccccc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 224543081 GSYYTLOIBHLABS-UHFFFAOYSA-N 421.368 4.538 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 225666633 XMHACKUXHFLTBX-IIBYNOLFSA-N 418.940 4.744 0 40 HJAB 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]3CC[C@]12C 238808966 GRQROVWZGGDYSW-RYEZHVRVSA-N 406.607 4.566 0 40 HJAB O=C1CCCC[C@@H]2[C@H](CCN2Cc2cccc3cccnc23)N1Cc1ccccc1F 257255752 KIRXCKDIVFGEEM-RPWUZVMVSA-N 417.528 4.920 0 40 HJAB O=C(COc1ccccc1Cl)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257290048 QBIYCVSTILWWPI-IBGZPJMESA-N 414.864 4.800 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C(=O)N1CCCCC1 408625404 SSPHWJAMTYNFKT-UHFFFAOYSA-N 414.571 4.854 0 40 HJAB COc1ccc(S(=O)(=O)N(Cc2cccc(Cl)c2)c2cccc(F)c2)cc1 408628480 YBPZKWULWSHMAE-UHFFFAOYSA-N 405.878 4.883 0 40 HJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 408678957 GMGJIUYAHNBZAJ-SFHVURJKSA-N 424.522 4.510 0 40 HJAB O=C(Nc1ccc2cccc(Cl)c2n1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 505457090 HROITVPKEXASPX-MRXNPFEDSA-N 411.864 4.518 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@@H](Oc2ccncc2Cl)C1 575609965 CYURCVRUENSXLO-LJQANCHMSA-N 407.901 4.687 0 40 HJAB COc1cccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)c2ccc(C)o2)c1 585105704 FDTBKGFTEYIKFF-UHFFFAOYSA-N 403.478 4.972 0 40 HJAB FC(F)(F)c1ccc(N2CC[C@H](Nc3ccc4nnc(-c5ccccc5)n4n3)C2)cc1 604379543 RWOMKJQHQPDZRM-KRWDZBQOSA-N 424.430 4.501 0 40 HJAB O=C(CC(F)(F)F)Nc1ccc(NC(=O)N2CCCO[C@@H](c3ccccc3)C2)cc1 670066369 UNOZWAAWYQVBLW-GOSISDBHSA-N 421.419 4.573 0 40 HJAB CC(=O)Nc1ccc(C2=N/C(=C/c3ccccc3OCc3ccccc3)C(=O)O2)cc1 842303 VAIIVFCCFBXSTN-PXLXIMEGSA-N 412.445 4.569 0 40 HJAB CCCCc1ccc(NC(=O)COc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 2387895 LAYRJEZQMUNBCK-UHFFFAOYSA-N 405.494 4.950 0 40 HJAB CCN(CC)CCSc1nnc2c3cc(C)ccc3n(Cc3ccccc3)c2n1 2452777 GFBQXPRGIHEBLZ-UHFFFAOYSA-N 405.571 4.770 0 40 HJAB O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)c1ccccc1 2459567 GDOYDBQWRGQYMT-UHFFFAOYSA-N 414.939 4.509 0 40 HJAB COc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1OCc1c(C)noc1C 3302540 JEMFYJAOHUASDU-OAQYLSRUSA-N 406.482 4.686 0 40 HJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCc2ccccc21 3396233 SFWJYXBYDMTCBB-UHFFFAOYSA-N 406.507 4.593 0 40 HJAB CC(C)Cc1ccc([C@@H](C)NC(=O)CN(C)CCOc2ccc(Cl)cc2)cc1 3429376 PPQJDTDZMUGXHN-GOSISDBHSA-N 402.966 4.727 0 40 HJAB CCCn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1ccncc1 3559166 XJIYNRGWSWCZNT-UHFFFAOYSA-N 423.361 4.549 0 40 HJAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1cc(C)cc(C)c1 5043072 ZLWABCRWWWBVAL-JXFKEZNVSA-N 417.303 4.844 0 40 HJAB CC(C)Cn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nc2ccccc21 5071489 ICLZDCPZEZNYMV-INIZCTEOSA-N 422.554 4.548 0 40 HJAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1 5099318 ZNEITXCALPVHAD-UHFFFAOYSA-N 410.857 4.544 0 40 HJAB COc1ccc(-c2nnc(SC[C@@H]3CCCCO3)n2CCc2ccccc2)cc1 5326165 MOXFCTABPBOWGU-NRFANRHFSA-N 409.555 4.858 0 40 HJAB CCOC(=S)Sc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 5462407 WNLJLZFUBWHZOP-UHFFFAOYSA-N 410.442 4.818 0 40 HJAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCCC3)cc2)cc1 5946248 GJFVGXLYELALMG-UHFFFAOYSA-N 411.571 4.588 0 40 HJAB O=C(c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCCc2ccccc21 5948391 FXIWPMWMNLGBND-YJBOKZPZSA-N 416.403 4.729 0 40 HJAB O=c1[nH]c(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)nc2c1CCC2 6143467 OURKCVDFEHGZHC-UHFFFAOYSA-N 421.909 4.572 0 40 HJAB Cc1cc(Cl)ccc1OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 6289153 KDZZWRBVMXFIIA-HUUCEWRRSA-N 421.946 4.534 0 40 HJAB CCOC(=O)c1oc2ccccc2c1CSc1nnc(-c2ccc(OC)cc2)o1 6327463 JLWUAWWGXHSRTM-UHFFFAOYSA-N 410.451 4.960 0 40 HJAB OC1(c2cccc(C(F)(F)F)c2)CCN(c2ncnc3c2[nH]c2ccccc23)CC1 6504392 ULNXEQXNMZKEJR-UHFFFAOYSA-N 412.415 4.618 0 40 HJAB CSc1nc2ccc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)cc2s1 6508666 PDHWHXYOSXNGOR-VIFPVBQESA-N 401.538 4.703 0 40 HJAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1cccs1 6588864 KJBLDCYYNFQXOW-UHFFFAOYSA-N 405.341 4.509 0 40 HJAB CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 6752781 DFRWDARHSKDZIP-HSZRJFAPSA-N 415.449 4.519 0 40 HJAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(OCCC)c1 6753000 WMPOCWIBCVHZMY-QHCPKHFHSA-N 405.498 4.916 0 40 HJAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)NCc1ccccc1 6789709 HWHBYBQWIGQTDT-UHFFFAOYSA-N 403.482 4.844 0 40 HJAB CCOc1ccc(Br)cc1CNn1c(-c2ccccc2)n[nH]c1=S 8324602 PDYOQEZCXWYZPB-UHFFFAOYSA-N 405.321 4.513 0 40 HJAB Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCC2)cc1C 8586902 XAQHBAYVKHRVHW-UHFFFAOYSA-N 423.582 4.837 0 40 HJAB C[C@@H](Sc1nnc(-c2cccs2)n1N)C(=O)Nc1ccccc1-c1ccccc1 8735835 HVIWFWXKTYIXFV-CQSZACIVSA-N 421.551 4.507 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1 9315017 COXVFADYDCVLAA-UHFFFAOYSA-N 402.853 4.935 0 40 HJAB CCCCn1nc(NS(=O)(=O)c2ccc(F)cc2)c2cc3cccc(C)c3nc21 9318732 XBDFBESMXOEYBZ-UHFFFAOYSA-N 412.490 4.633 0 40 HJAB CCOC(=O)c1sc2nc(C)c3c(c2c1NC(=O)c1ccccc1)CC(C)(C)OC3 9465363 ANMHDINSDPJNNY-UHFFFAOYSA-N 424.522 4.885 0 40 HJAB COc1ccccc1[C@@H](C)NC(=O)/C=C/c1ccccc1OCc1csc(C)n1 11515885 BNTOYMWNFMSFDO-CJTWTEFWSA-N 408.523 4.930 0 40 HJAB Cc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)[C@H](C)c4ccccc4)CC3)cc2n1 12160578 ILCKCSGEDREKGK-OAHLLOKOSA-N 416.447 4.566 0 40 HJAB O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc(Cl)cc1 12329850 JPDYXERKSBHLFN-PKTZIBPZSA-N 423.940 4.877 0 40 HJAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N3CCCCC3)c2c1 12437954 JCSQHBSGBKJOKD-UHFFFAOYSA-N 410.539 4.683 0 40 HJAB O=C(OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1)C1CCC1 12599654 UVGVPVIAVQBENX-DEOSSOPVSA-N 412.489 4.861 0 40 HJAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N[C@H](C)c1ccccc1 12754299 XSOFXIKKICSYDB-CYBMUJFWSA-N 415.415 4.568 0 40 HJAB O=C(CCn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccccc1Cl 12755815 BZCLVPJASVWAQK-UHFFFAOYSA-N 409.898 4.807 0 40 HJAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(OC(F)(F)F)cc1 12811405 IDVLDAFADMYGSV-UHFFFAOYSA-N 424.463 4.637 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2Cl)c1 12904626 PYFVLKXEOFUNKI-KRWDZBQOSA-N 410.297 4.753 0 40 HJAB CC(C)Cc1ccc([C@H](C)NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)cc1 12926406 BFLNHQMPZNULHZ-INIZCTEOSA-N 410.539 4.572 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)c2ccccc12 13002120 VBJOBLZBBIOIAD-UYAOXDASSA-N 416.521 4.578 0 40 HJAB COc1ccc2c(C)c(CC(=O)Nc3cc(Cl)ccc3Cl)c(=O)oc2c1C 13575776 XLOLUDIDJPCSCG-UHFFFAOYSA-N 406.265 4.906 0 40 HJAB CCOC(=O)N1CCC(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)c(C)s2)CC1 14910672 VGHXZCXDNNZATQ-UHFFFAOYSA-N 415.559 4.851 0 40 HJAB CC[C@H](C)NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1-c1ccc(C)cc1 15019307 PCYKHQPEDNXVGE-INIZCTEOSA-N 420.538 4.996 0 40 HJAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 15579987 UMMFUCNGZYFROY-UHFFFAOYSA-N 410.477 4.538 0 40 HJAB O=C(Nc1cccc(Br)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 16028148 IARPXKCMDMLDLD-UHFFFAOYSA-N 421.722 4.593 0 40 HJAB Cc1ccc(SCc2cc(=O)[nH]c(Nc3nc(C)c4cc(C)cc(C)c4n3)n2)cc1 17027492 UXNREVPZMWJVDZ-UHFFFAOYSA-N 417.538 4.983 0 40 HJAB CN1CC2=C(NC(=S)N[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 17952917 AYJMLJPPLPOZKD-XATQLNLPSA-N 416.377 4.795 0 40 HJAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccccc1 20111747 DLRXFUIJVCXAHP-JOCHJYFZSA-N 422.550 4.985 0 40 HJAB O=C(NCc1ccccn1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 20723495 WPTRIKLIBNRPIC-QHCPKHFHSA-N 417.553 4.583 0 40 HJAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4cccc(C)c4)ccc32)cc1 20765979 AGFBXXNJLQJLTR-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB COc1ccc(-c2noc(-c3cccc(NC(=O)COc4cccc(C)c4)c3)n2)cc1 20900050 MZVOEMXHRHTJHP-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB CC(C)c1ccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1 24607657 AZIRDCNQIZBGLA-UHFFFAOYSA-N 424.497 4.764 0 40 HJAB CCCCSc1cc2c(cc1NC(=O)c1cccc(Cl)c1)n(C)c(=O)n2C 28049265 QEQBCCWDRAKORZ-UHFFFAOYSA-N 403.935 4.675 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 28574379 CLEVYADNRCFVJT-UHFFFAOYSA-N 409.795 4.865 0 40 HJAB Cc1ccc2c(=O)cc(C(=O)Nc3nc(SCc4ccccc4)ns3)oc2c1C 32593804 XUIPOEQKJXGZKK-UHFFFAOYSA-N 423.519 4.806 0 40 HJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)NCCCCOc2ccc(Cl)cc2)c1 32795252 DOMGMOUEYJCPEE-OAHLLOKOSA-N 403.910 4.518 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CS[C@H]2c3ccccc3C(=O)N12 36585008 KLDYPXRCRYXCRR-PBHICJAKSA-N 412.820 4.567 0 40 HJAB COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1OC 38772569 KKJYTOXHBVAIKH-GOSISDBHSA-N 416.521 4.758 0 40 HJAB O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Br)cc2)CC1 38848610 HKTFGLNPKNQILX-UHFFFAOYSA-N 421.766 4.631 0 40 HJAB CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(Cc3ccccc3Cl)c12 39556550 VSDCQKLFWPFCNW-ODLFYWEKSA-N 409.942 4.593 0 40 HJAB Cc1sc(=O)n(CC(=O)Nc2ccccc2SC(F)F)c1-c1ccc(F)cc1 40130528 LBSJXBGOLRFMGY-UHFFFAOYSA-N 424.469 4.978 0 40 HJAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)[C@H]1Cc2cc(Cl)ccc2O1 40152019 NQEXQXNEZPJHBR-HXUWFJFHSA-N 416.868 4.734 0 40 HJAB CC(C)CCNc1nc(=O)n(CC(=O)Nc2ccc(C(C)C)cc2)c2ccccc12 44168505 FOESBPDSUWRCBI-UHFFFAOYSA-N 406.530 4.617 0 40 HJAB C[C@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)Nc1ccccc1OC(F)F 48340218 QTBRSRZNVJIIQU-JTQLQIEISA-N 411.861 4.947 0 40 HJAB COC(=O)c1cccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c1 58011260 IXBRVUCKQBXCQZ-UHFFFAOYSA-N 419.462 4.554 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)c1C 59176258 LSLAAWKLCOFPTK-UHFFFAOYSA-N 424.570 4.865 0 40 HJAB Cc1ccc(-c2nnc(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)o2)cc1F 65185429 CDPMLMGGIOCDHP-UHFFFAOYSA-N 404.323 4.844 0 40 HJAB O=C1C[C@@H](c2ccc(OCc3cccc(Cl)c3)cc2)c2snc(C(=O)O)c2N1 66091602 MJCLSHCILWTCSM-HNNXBMFYSA-N 414.870 4.548 0 40 HJAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4)nccn3n2)cc1 67290417 QCVMDIUBHILIOG-UHFFFAOYSA-N 404.495 4.526 0 40 HJAB CCOC(=O)Cn1ccc2cc(NC(=O)c3sc(-c4ccccc4)nc3C)ccc21 69491320 YOSBRHOKOLYTLL-UHFFFAOYSA-N 419.506 4.889 0 40 HJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2Cl)cc1 72328996 ACVFRDLQGWPVIQ-UHFFFAOYSA-N 401.869 4.978 0 40 HJAB CN(CC(=O)Nc1ccc(F)c(F)c1F)c1nc2c(C(F)(F)F)cccc2s1 77196826 NBKSAJYGEVCBEM-UHFFFAOYSA-N 419.350 4.807 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc4ccccc4c3OC)C2)c(OC)c1 89930404 YUVOWZBQKTVWPP-QFIPXVFZSA-N 404.466 4.563 0 40 HJAB O=C(CSc1ccc(F)cc1)Nc1ccccc1Cc1nc(-c2ccncc2)no1 96119644 PCELYSDVDIXKBG-UHFFFAOYSA-N 420.469 4.592 0 40 HJAB O=C(CCCC(=O)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2)N1CCc2ccccc21 100166796 CXLHAUXXBQXRPT-GOTSBHOMSA-N 420.528 4.822 0 40 HJAB Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C1=O 101030021 BSNNENDIYSJYIY-AABGKKOBSA-N 424.909 4.761 0 40 HJAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)C1 102162857 YXERLLRBSAWHKI-WMZHIEFXSA-N 401.522 4.608 0 40 HJAB CCN(C)C[C@@H]1CCN(C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 106920103 SGYKJAXCPUJTRV-FDDCHVKYSA-N 417.018 4.963 0 40 HJAB Cc1ccc(N2CCC(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)CC2)cc1 219856024 UAINOBUPFVSFOU-UHFFFAOYSA-N 411.977 4.522 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 222549865 PQWPUVOLWZZULH-LJQANCHMSA-N 422.550 4.620 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 222674045 PTPVQSLFBJARTK-OAHLLOKOSA-N 421.368 4.868 0 40 HJAB COc1ccc(CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C 222835055 RZSXACPHUFCAFI-GOSISDBHSA-N 402.494 4.676 0 40 HJAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 223416897 GEMYMUWZHKINSG-FGZHOGPDSA-N 420.582 4.819 0 40 HJAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 223891522 GSSCKOMFJJPMIF-FCHUYYIVSA-N 419.598 4.881 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224104562 HJPGMWCCDLRDTJ-NRFANRHFSA-N 408.586 4.932 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 224233343 WZTVBEJBIYTIBM-DEOSSOPVSA-N 406.570 4.712 0 40 HJAB CC(C)Oc1ccccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 224257130 ICJRGRNMUBSEAF-UHFFFAOYSA-N 424.522 4.551 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)c(C)c1 225667574 XJBWLHRLRMAOGG-IQJJTXKVSA-N 402.494 4.853 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NC23CC4CC(CC(C4)C2)C3)c1 225818773 VXAMOMRYAFNGBR-UUYOSTAYSA-N 420.578 4.912 0 40 HJAB Nc1nnc(-c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)o1 226341943 ABCRLHMBGMIFFV-UHFFFAOYSA-N 415.074 4.967 0 40 HJAB Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 409109648 IRZOTXPUHFGBBL-UHFFFAOYSA-N 408.523 4.698 0 40 HJAB Cc1cccc(OCc2nn(CC(=O)Nc3ccc4ccccc4c3)c(=S)o2)c1 409167358 INJKGOAHSITOGX-UHFFFAOYSA-N 405.479 4.885 0 40 HJAB CCOc1c(I)cc(CNc2ccc(Cl)cc2)cc1OC 409177246 FMXLLINLWJZYKL-UHFFFAOYSA-N 417.674 4.964 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC(C(C)C)C(C)C)ccc1C 409406068 ADHHAZBROFURJI-UHFFFAOYSA-N 402.560 4.515 0 40 HJAB CC(=O)N1CC2=C(C1=O)[C@@H](c1cccs1)c1cn(CCC(C)C)c3cccc(c13)N2 524732672 HRWZTZSQVFOMPE-JOCHJYFZSA-N 419.550 4.949 0 40 HJAB Cc1cc2occ(C(=O)N[C@H]3CCc4nc(-c5ccc(F)cc5F)cn4C3)c2cc1C 1615613042 OKFICZFMANSUTI-INIZCTEOSA-N 421.447 4.936 0 40 HJAB CC1(C)C[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cn3)CC[C@@H]2N1c1cccc(F)c1 2037988463 LFDYGKWNYHNVRW-KUHUBIRLSA-N 421.438 4.759 0 40 HJAB CCOc1ccc(C(=O)Nc2cc(C(=O)NCCc3ccccc3)ccc2Cl)cc1 1006659 XUTDTXJBCGEYOZ-UHFFFAOYSA-N 422.912 4.964 0 40 HJAB O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccc(Cl)cc2)o1 2426291 NWCHCRKWVWTQFJ-UHFFFAOYSA-N 424.865 4.833 0 40 HJAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ncc(Cl)cc1Cl 2644202 PBLKOBIZTMHSSU-UHFFFAOYSA-N 412.327 4.714 0 40 HJAB FC(F)[C@H]1C[C@@H](c2ccccc2)Nc2c(-c3nc4c5ccccc5ncn4n3)cnn21 2806320 YSZSLBOOIXMFIT-ZWKOTPCHSA-N 417.423 4.504 0 40 HJAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COc1ccc(C)cc1 2889751 BMNFMNIHEWHWIO-UHFFFAOYSA-N 411.479 4.536 0 40 HJAB O=C(CSc1nnc(SCC(=O)c2ccc(F)cc2)s1)c1ccc(F)cc1 3239049 XSJFSUYBCMBPDT-UHFFFAOYSA-N 422.503 4.766 0 40 HJAB O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc(Cl)c(Cl)c1 4315254 UDLRCDOXBITDCO-UHFFFAOYSA-N 403.313 4.688 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1-c1ccccc1 4840892 YQJXPODHAMAEJY-DNVCBOLYSA-N 410.543 4.623 0 40 HJAB COCCCNC(=O)CCc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O 5345718 KBLDRPWJZJRJAE-UHFFFAOYSA-N 413.514 4.539 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1 5481577 RVBVKYOKJDUBIQ-UHFFFAOYSA-N 409.267 4.606 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3sc(C)nc3C)ccc21 5643540 URNFUGGKOVACIH-UHFFFAOYSA-N 407.495 4.683 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc(SC)ccc1Cl 5860539 SJFHIAZUHQBCLD-UHFFFAOYSA-N 414.310 4.828 0 40 HJAB COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3F)c3ccccc32)cc1 6230444 GASRDAYSYRKOLX-UHFFFAOYSA-N 402.425 4.659 0 40 HJAB CC(C)Oc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 6346019 MODOLEJTDQONAW-UHFFFAOYSA-N 400.434 4.527 0 40 HJAB COc1cc(C(=O)NCc2ccco2)cc(Br)c1OCc1ccccc1 6580619 QPNVKSSKGCQQPQ-UHFFFAOYSA-N 416.271 4.560 0 40 HJAB CC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)cc1 6667708 SUIVOGSVPYPPIN-YVCBRDFCSA-N 415.489 4.515 0 40 HJAB O=C(CSc1nc2ccccc2[nH]1)N1CCC(c2nc3ccccc3s2)CC1 8155978 WNMBWXLKPSJZDX-UHFFFAOYSA-N 408.552 4.671 0 40 HJAB O=C(CSCc1ccccc1)Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1 8417777 IDGDUJNVSMYZCH-UHFFFAOYSA-N 420.490 4.509 0 40 HJAB c1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2N2CCCCC2)cc1 8710818 VHTGGIDRDIZEQO-UHFFFAOYSA-N 424.555 4.661 0 40 HJAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc2c(c1)CCCC2 9193348 UVRJDGNYFJSNRN-UHFFFAOYSA-N 410.518 4.714 0 40 HJAB O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCN(c2ccccn2)CC1 9224028 ZQXKNJAHEYBGIA-UHFFFAOYSA-N 423.969 4.990 0 40 HJAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccccc1-c1ccccc1 9284055 HBFWAYDAFBAOLP-UHFFFAOYSA-N 422.506 4.786 0 40 HJAB CCCn1nc(NC(=O)c2cc(OC)cc(OC)c2)c2cc3ccc(C)cc3nc21 9357114 HTORLSGJUMQDOU-UHFFFAOYSA-N 404.470 4.572 0 40 HJAB CC(C)Cc1ccc([C@@H](C)c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1 9423772 AKHFTGXYOAJGLP-MRXNPFEDSA-N 416.554 4.934 0 40 HJAB O=C1CCCN1c1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 10372552 FQUBHDWQWPCFDX-RDPWEWGOSA-N 417.534 4.800 0 40 HJAB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccc(F)cc1Cl 10500157 JERXGYJMOZLXGR-UHFFFAOYSA-N 417.893 4.692 0 40 HJAB Cc1cc(C)cc(NC(=O)c2c(N)c(C(=O)c3ccc(F)cc3)n3ccccc23)c1 12342032 WXOGOZWKVJBSAC-UHFFFAOYSA-N 401.441 4.761 0 40 HJAB COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 12548629 IKMJHCYGZOTWKC-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB COc1ccc(C(=O)C[C@H](C(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1OC 12550337 GUXBXRQRYRYTKK-GOSISDBHSA-N 414.461 4.820 0 40 HJAB O=S(=O)(Nc1ccc(C2=CSC3=NCCCN23)cc1)C1=Cc2ccccc2CC1 12604518 UWWFHCVIUISZSA-UHFFFAOYSA-N 423.563 4.523 0 40 HJAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)Nc1ccccc1Cl 12825207 XOZVUCCAQOXAFD-UHFFFAOYSA-N 413.930 4.595 0 40 HJAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1ccc(F)c(F)c1 12850652 INHAWUAPVPNGKJ-UHFFFAOYSA-N 420.459 4.684 0 40 HJAB Clc1ccccc1OCc1nnc(SCc2nnsc2Cl)n1C1CC1 13121070 QVPACNNJMQNHCF-UHFFFAOYSA-N 414.343 4.643 0 40 HJAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1cc(C)ccc1OC)OCCO3 13503625 FORDLKXOMUWGER-UHFFFAOYSA-N 424.522 4.616 0 40 HJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)c1 15049228 JMFMMDHAKPOSSR-UYRXBGFRSA-N 408.523 4.968 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccco1)c1ccc(F)cc1 16789420 OZZHPSUWLRNKHJ-UHFFFAOYSA-N 411.433 4.840 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccncc4)nc3c2)c1 17082445 CSZHQXNDNQDIPY-UHFFFAOYSA-N 402.479 4.633 0 40 HJAB COc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)c2c[nH]c3ccccc23)cc1 18074450 WSTNPRBXAYBNJQ-JOCHJYFZSA-N 418.468 4.643 0 40 HJAB O=C(NC1CCN(C[C@@H](c2ccccc2)C2CCCCC2)CC1)c1n[nH]cc1Cl 19369238 LPXYLNCGFLCOQI-FQEVSTJZSA-N 414.981 4.621 0 40 HJAB CC(=O)Nc1ccc(CN2CC[C@@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)cc1 19696156 NLXZTAUXUNOJPB-GOSISDBHSA-N 424.932 4.590 0 40 HJAB O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(c2cccc(Cl)c2)CC1 19891026 HXUVLQQXZJASQL-DEOSSOPVSA-N 422.956 4.569 0 40 HJAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccccc4F)ccc32)cc1 20766027 RJCJTNDHAKTTFG-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1Br 21577823 JVIBMIOICSHFSQ-UHFFFAOYSA-N 407.283 4.839 0 40 HJAB COc1ccccc1CNC(=O)c1cccnc1Nc1cccc(Br)c1 22073050 NDTIRXKZFSBTQT-UHFFFAOYSA-N 412.287 4.526 0 40 HJAB O=C(NCc1nc(-c2ccccc2)no1)c1cccc(OCc2ccccc2Cl)c1 22255327 IBBMKYYYAZCJNF-UHFFFAOYSA-N 419.868 4.899 0 40 HJAB COc1ccc(CN(C)C(=O)CSc2nc3cc(Cl)ccc3s2)cc1OC 22569609 JUMNHTVMCQWSLZ-UHFFFAOYSA-N 422.959 4.718 0 40 HJAB CCCCc1ccc(NC(=O)CSc2nnc(/C=C/c3ccccc3)c(O)n2)cc1 27300463 BAJLASCZEVTEOE-NTCAYCPXSA-N 420.538 4.821 0 40 HJAB Cc1ccc(C(=O)NCCCOc2ccccc2F)cc1NC(=O)c1ccccc1 32277641 NIHUGQJITCAGDD-UHFFFAOYSA-N 406.457 4.585 0 40 HJAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCc3ccc(Cl)cc3)n2C)c1 33681201 SVNRHBXISXUNJH-AWEZNQCLSA-N 400.935 4.560 0 40 HJAB CN(C)C(=O)[C@@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)c1ccccc1 37224404 ISKUUXNONPSLNM-REWPJTCUSA-N 403.551 4.780 0 40 HJAB O=C(CSc1ccc2ccccc2c1)Nc1ccccc1S(=O)(=O)C(F)F 40012773 SMMSIGZNEAXSQT-UHFFFAOYSA-N 407.463 4.567 0 40 HJAB O=C(CSc1ccc(Br)cc1)Nc1ccc(-n2cccn2)c(F)c1 40150936 GCSAWQFJQBGEJA-UHFFFAOYSA-N 406.280 4.505 0 40 HJAB Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(N4CCCC4)cc3C)C2)c1 40151342 HPAJECCWNNSMHA-FQEVSTJZSA-N 420.557 4.786 0 40 HJAB CSc1ccccc1CN1CCC(CNC(=O)c2cc(-c3ccccc3)on2)CC1 43991396 DDOYPVUDQRMKGK-UHFFFAOYSA-N 421.566 4.706 0 40 HJAB C[C@H](N[C@@H](C)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 57405931 ACBAQSNJBWUMHR-GJZGRUSLSA-N 422.356 4.508 0 40 HJAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c1 58016194 AZJMZAUKANSRBA-UHFFFAOYSA-N 421.478 4.785 0 40 HJAB CCc1cccc(CC)c1NC(=O)CN(Cc1cccc(OC)c1)C1CCC(O)CC1 58267881 RSEQMKHIQSRHQC-UHFFFAOYSA-N 424.585 4.564 0 40 HJAB COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1F 65493134 GKPOYANOBQFJBF-DEOSSOPVSA-N 421.468 4.639 0 40 HJAB COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2OC)cc1 67258431 YRCBNPITDCRFOX-UHFFFAOYSA-N 418.518 4.754 0 40 HJAB COc1ccccc1/N=c1\oc2c(OC)cccc2cc1C(=O)Nc1cccc(C)n1 67295631 VZUCPNTVLGFLMU-LCUIJRPUSA-N 415.449 4.638 0 40 HJAB O=C(NCc1cccc2ccccc12)NCC1CCN(c2nc3ccccc3o2)CC1 70932513 QJCMPAUGHUIZMG-UHFFFAOYSA-N 414.509 4.697 0 40 HJAB CC1(C)C[C@@H](NC(=O)CCn2ccc3cc(OCc4ccccc4)ccc32)CCO1 71287969 CHRFTHVFLICHFC-NRFANRHFSA-N 406.526 4.684 0 40 HJAB CC(C)n1c(S[C@H](C)C(=O)Nc2cccnc2)nnc1-c1cc2ccccc2o1 72191460 RPOPXKSTLOLYEP-CQSZACIVSA-N 407.499 4.787 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 77197858 AXENIVGNGUZGMH-SECBINFHSA-N 408.302 4.519 0 40 HJAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1nc(-c2ccccc2)no1 95482473 RAOWABWHGNWLDW-UHFFFAOYSA-N 408.310 4.593 0 40 HJAB Cc1cc(C)n(C[C@@H](C)CN[C@H](c2ccc(Br)cc2)c2ccco2)n1 95996289 CRWNGSXHDOHYIP-VBKZILBWSA-N 402.336 4.871 0 40 HJAB O=C(C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21)NCC1CC1 96053089 DIUZCCHLTVDQGY-HXUWFJFHSA-N 410.583 4.565 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1C 103716705 LVSRJZBQTTWSBU-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB CCC[C@H](CC(=O)O)c1c(OC)c(CC=C(C)C)c(O)c2c1O[C@H](C)[C@H](C)C2=O 106939148 UDVTWMLZUGXNQM-RRFJBIMHSA-N 404.503 4.868 0 40 HJAB biogenic,in-vitro Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2C)c1 107969055 NMRCAFZYEAKNRJ-UHFFFAOYSA-N 418.522 4.587 0 40 HJAB Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(-c4nc5ccccc5o4)cc3)C2=O)c1 113512685 VSQSQVVMKSGVDL-HXUWFJFHSA-N 415.474 4.501 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCCCCC4)cc3)n2)cc1 219964742 VALUSANIJRPLBK-UHFFFAOYSA-N 418.541 4.693 0 40 HJAB COc1ccc2cc(S(=O)(=O)N[C@H]3CC(C)(C)Oc4ccc(C)cc43)ccc2c1 222673183 SNVNMRHUHMBJDR-NRFANRHFSA-N 411.523 4.738 0 40 HJAB COc1ccc(C)cc1NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 224041229 GDYZBJMLMKBLOG-ZHZULCJRSA-N 406.507 4.783 0 40 HJAB CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1COc1ccccc1 224360287 XUWJSBYFRIGVEX-UHFFFAOYSA-N 405.494 4.645 0 40 HJAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1c(F)cccc1F 224886311 SKUOFPFIZFCPFL-UHFFFAOYSA-N 407.214 4.954 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1OCC 225293894 BDMOLXDOOSKLSV-LJQANCHMSA-N 421.541 4.837 0 40 HJAB O=C(c1ccccc1Cn1ccnc1)N1CCC[C@@H](Cc2cnc3ccccc3c2)CC1 257199695 AANCVYFKBRURPW-OAQYLSRUSA-N 424.548 4.965 0 40 HJAB Cc1cccc(-c2ccc(CC3(C(N)=O)CCN(C(=O)CC(C)(C)C)CC3)cc2)c1 257208816 BNRRHPFRNRTUDT-UHFFFAOYSA-N 406.570 4.735 0 40 HJAB CCCCCC(=O)N1CCC[C@](COc2ccccc2)(CC(=O)N2CCCCC2)C1 257338776 YYXVJHBCDFAMKT-VWLOTQADSA-N 414.590 4.657 0 40 HJAB CC(C)CSc1nc2ccc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2s1 408750994 VDGGLGPGJMIWLZ-MWDDYTRKSA-N 402.541 4.506 0 40 HJAB CCOc1cc([C@@H]2NC[C@H](C(=O)O)S2)ccc1OCc1cccc2ccccc12 408979816 SLIDDRUMJAGKAK-FGZHOGPDSA-N 409.507 4.606 0 40 HJAB CC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1 409059279 VUOWMRZQODTNMP-UHFFFAOYSA-N 406.526 4.678 0 40 HJAB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC(C)=O 409361998 SAVUJSYGGVOYAE-RQZCQDPDSA-N 403.843 4.515 0 40 HJAB Cc1cc(C)c(C)c(Cn2c(CCNC(=O)CCC[C@@H](C)O)nc3ccccc32)c1C 575442908 WWEARXSVJFFPQN-LJQANCHMSA-N 421.585 4.528 0 40 HJAB Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(CCN2c2ccc3nccnc3c2)C1 585102252 VLJWZTCFWRHBSJ-VWLOTQADSA-N 418.541 4.714 0 40 HJAB CNC(=O)COc1cccc([C@@H]2OC[C@@H](c3ccc(Cl)cc3)C[C@H]2C(C)C)c1 585292804 OFYGYPISGLWRDO-HARLFGEKSA-N 401.934 4.982 0 40 HJAB COc1ccc(-c2coc3cc(OCCCCCC(=O)O)ccc3c2=O)cc1OC 2060990625 KYOVNNBGHJKCPU-UHFFFAOYSA-N 412.438 4.501 0 40 HJAB COc1ccc(-c2nsc3c(SCC(=O)c4ccc(F)cc4)ncnc23)cc1 902781 ZEYQWEVLNNTIQN-UHFFFAOYSA-N 411.483 4.876 0 40 HJAB O=C(O[C@@H](C(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1)c1cccs1 1381191 PWBDNQKKPQBVFY-GOSISDBHSA-N 403.862 4.755 0 40 HJAB CN(C)c1cccc(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)c1 2617248 VAMMCJXAOIUTKH-UHFFFAOYSA-N 406.507 4.699 0 40 HJAB Cc1cc(-c2csc(NC[C@H]3CCCO3)n2)c(C)n1Cc1ccc2c(c1)OCO2 3437008 PPDSBGBXHZRHRH-QGZVFWFLSA-N 411.527 4.596 0 40 HJAB CCCSc1nnc(SCCC(=O)Nc2ccc(OC)c(Cl)c2)s1 3446975 GAYXGSIWBQQBHA-UHFFFAOYSA-N 403.982 4.823 0 40 HJAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2C(C)C)cc1OC 4736141 UKKLRLDDZONXDC-UHFFFAOYSA-N 415.490 4.657 0 40 HJAB Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)c1 5136633 FPCQAUFWUTZXEL-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB COc1ccc(-c2nnc(SCCCOc3ccc(Cl)cc3)o2)cc1OC 5281981 HFFOMZTYMRSQLC-UHFFFAOYSA-N 406.891 4.968 0 40 HJAB CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(F)c1)N(c1cc(C)on1)C3=O 5307873 GGYJVMYOHFPBIR-HXUWFJFHSA-N 404.397 4.541 0 40 HJAB COc1ccc([C@@H](CCNS(=O)(=O)c2ccc(C)cc2)c2ccc(F)cc2)cc1 5477727 LOMAGHOBMADVKY-QHCPKHFHSA-N 413.514 4.643 0 40 HJAB Cc1cccc(-n2c(C)nnc2SCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 5898657 BGEULRNCUYQDJF-PWIZWCRZSA-N 401.576 4.980 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1 5951527 JONWAEBCRHSKCA-UHFFFAOYSA-N 420.303 4.732 0 40 HJAB CCc1cc2c(CSc3nncn3-c3ccc(C)cc3C)cc(=O)oc2cc1O 6106163 AZKCMHNSXPLWOQ-UHFFFAOYSA-N 407.495 4.551 0 40 HJAB Cc1cc(F)ccc1S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccccc1 6373275 UHGYKCSQTXXRHX-UHFFFAOYSA-N 408.458 4.622 0 40 HJAB COC(=O)c1cc2c(cc1C[C@H](Cc1ccc3c(c1)CCCC3)C(=O)OC)CCCC2 6385201 OILATIFACRLTIN-DEOSSOPVSA-N 420.549 4.805 0 40 HJAB O=C(CSc1nc(-c2ccccc2Br)n[nH]1)c1ccc2c(c1)CCC2 7251845 RPTNFXQRKDVUPC-UHFFFAOYSA-N 414.328 4.698 0 40 HJAB CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)Nc3ccccc3C)[nH]c(=O)c12 7672475 GQJDRWDPFFRHSC-GFCCVEGCSA-N 415.584 4.921 0 40 HJAB Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccco2)c1 7777185 DOOQWWGMELJLRZ-UHFFFAOYSA-N 404.495 4.940 0 40 HJAB COc1ccc(OC)c(NC(=O)/C=C/c2cc(Cl)c(OC(C)C)c(OC)c2)c1 7971502 RFQSQUJECGDRFZ-RMKNXTFCSA-N 405.878 4.805 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@H](C)Oc1ccccc1 8090330 SOEBBRCJBKDZBP-AWEZNQCLSA-N 416.934 4.822 0 40 HJAB Cc1csc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2CC(C)C)n1 8389527 LSPXEAMULQGAPP-ZDUSSCGKSA-N 419.551 4.624 0 40 HJAB COc1ccc(CN(C(=O)Nc2ccc(C)cc2)c2nnc3n2CCCCC3)cc1 8550214 RKEYUYIPHYETBW-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB Cc1ccccc1CN1CCC(C(=O)NCCSCc2cccc(Cl)c2)CC1 9062891 QAJLOIJCLFOWGH-UHFFFAOYSA-N 417.018 4.910 0 40 HJAB O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1c1ccc(N2CCOCC2)cc1 9422118 ZAEOTWPXCLPFHY-HSZRJFAPSA-N 419.912 4.948 0 40 HJAB COc1ccc(C(C)=O)cc1CC(=O)NCCC(c1ccccc1)c1ccccc1 9596484 YWLLPZRGZFHRGH-UHFFFAOYSA-N 401.506 4.779 0 40 HJAB Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc3c2=O)cc1 9855618 NJZKYJRQKBLGJC-UHFFFAOYSA-N 424.500 4.796 0 40 HJAB C[C@H]1Cc2cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)ccc2O1 10298809 IZWSGTQFXLAFFX-KRWDZBQOSA-N 424.456 4.593 0 40 HJAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O 10335671 FRRRSOXETRWMSE-INIZCTEOSA-N 422.978 4.873 0 40 HJAB Cc1csc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n1 10554471 GSTOYKZKIYNJHV-AWEZNQCLSA-N 400.331 4.542 0 40 HJAB Cc1cc(NC(=O)c2ccccc2C)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 12442320 GHTIUTRQCQJXFF-UHFFFAOYSA-N 418.478 4.594 0 40 HJAB CCc1ccccc1Nc1nc(N)nc(CNC(c2ccccc2)c2ccccc2)n1 12558138 QSBCWESLEAEZTD-UHFFFAOYSA-N 410.525 4.639 0 40 HJAB COc1ccc(OC)c(CNC(=O)c2ccccc2SCc2c(C)noc2C)c1 12941657 BHJGGZZAVCVQKR-UHFFFAOYSA-N 412.511 4.531 0 40 HJAB O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccc(Cl)cc1)N2)c1ccco1 13127134 NEVMOMRLRQYLOS-ZWKOTPCHSA-N 419.872 4.923 0 40 HJAB COc1ccc(OC)c(Nc2cc(C)nc3nc(C45CC6CC(CC(C6)C4)C5)nn23)c1 13364724 PDZSJNQNJXWYAY-UHFFFAOYSA-N 419.529 4.661 0 40 HJAB CCOc1ccc(CN(CC)C(=O)c2ccc(OC)c(Br)c2)cc1OC 15565960 ALIQNWPOYAVKLL-UHFFFAOYSA-N 422.319 4.527 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COC2CCC(C(C)(C)C)CC2)CC1 16663186 WHFLODBISFQOFO-NJEKYYFSSA-N 423.041 4.753 0 40 HJAB Cc1cc(NC(=O)COc2ccc(F)cc2)n(-c2nc(-c3cccs3)cs2)n1 17012021 IXKSWWVUYZJKMW-UHFFFAOYSA-N 414.487 4.522 0 40 HJAB COc1ccc2oc(-c3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3)nc2c1 17091088 VIWDLLVPUKKCNI-UHFFFAOYSA-N 417.490 4.559 0 40 HJAB O=C(NCc1ccccn1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 20723498 WPTRIKLIBNRPIC-HSZRJFAPSA-N 417.553 4.583 0 40 HJAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(NC(=O)C2CC2)cc1 23103083 MKKOPPYYMGJAJC-OAHLLOKOSA-N 421.472 4.639 0 40 HJAB COc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 26464798 GLOKUNNBEIITTO-NVNXTCNLSA-N 409.294 4.720 0 40 HJAB CCN(C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)c1nc2ccccc2s1 26908400 INOCTHHFHXKXIN-UHFFFAOYSA-N 422.506 4.705 0 40 HJAB O=C(NCCCc1nc2ccccc2[nH]1)N[C@H](c1ccc(F)cc1)c1cccs1 32795290 IWKLCFCLUBRUQO-OAQYLSRUSA-N 408.502 4.785 0 40 HJAB Cn1c([C@@H]2COc3ccccc3O2)nn(CN[C@@H](c2ccccc2)C(C)(C)C)c1=S 32911740 LEMANTQCYJGWGZ-PMACEKPBSA-N 424.570 4.798 0 40 HJAB Cc1ccc(-c2noc(CSc3ccc(-c4ccc5c(c4)OCO5)nn3)n2)cc1 33262457 JYNBECCAOOCQNE-UHFFFAOYSA-N 404.451 4.523 0 40 HJAB COC(=O)c1cc(CN(C)[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)oc1C 35310641 MZQPTFYOTBDCKX-QHCPKHFHSA-N 416.477 4.912 0 40 HJAB C[C@@H]1CCCC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 38501122 XTDSKTSFUZMXHK-UTKZUKDTSA-N 407.489 4.899 0 40 HJAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(C)C)c4ccccc34)NC2=S)cc1 39556567 VBRTXCMOTJZFKV-BKUYFWCQSA-N 419.550 4.958 0 40 HJAB O=C(Nc1ccc(F)cc1)c1nnc(CSc2nc(-c3ccccc3)c[nH]2)s1 40066719 FYAZIIJXZFADKN-UHFFFAOYSA-N 411.487 4.612 0 40 HJAB O=C(Nc1ccccc1NC(=O)c1cnc2ccccc2n1)c1ccc(Cl)cc1 40091043 GPIMQGLSXCMYLG-UHFFFAOYSA-N 402.841 4.788 0 40 HJAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1sccc1Br 40129503 GGXIBGBANULKSP-UHFFFAOYSA-N 415.740 4.573 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1c(C)nn(-c2ccccc2)c1C 40132091 ORSYXCLGIBUELJ-UHFFFAOYSA-N 417.488 4.612 0 40 HJAB CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(C)cc2C)C1 44803819 NAPYSGGLXQNYSF-IBGZPJMESA-N 418.541 4.891 0 40 HJAB O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1cccc(Oc2ccccc2)c1 60012610 HOZJUJSYCWVXAX-UHFFFAOYSA-N 410.473 4.619 0 40 HJAB CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC(=O)NCc1ccccc1 67890293 ABPGKHXCSTVPIG-XXBNENTESA-N 419.525 4.710 0 40 HJAB biogenic,in-vitro O=C1c2ccccc2CC[C@H]1[C@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 68713171 WFAJNDAIPUCZRQ-BWKNWUBXSA-N 417.892 4.520 0 40 HJAB Cc1cc(C)cc(C[C@@H](C(=O)O)[C@@H](C)C(=O)Nc2ccc(C)c(Br)c2)c1 71405985 CEMHFLMOVGIPSW-CRAIPNDOSA-N 418.331 4.892 0 40 HJAB Cc1ccc2[nH]c3c(SCC(=O)N[C@@H](C)CCc4ccccc4)ncnc3c2c1 72331965 MOZRTBIWJZKYDU-INIZCTEOSA-N 404.539 4.649 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCN2C(=O)c2sc(C)nc2C)n1 72390634 NACYXGLIXKSNMJ-GOSISDBHSA-N 407.543 4.542 0 40 HJAB O=C(Nc1nccs1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 72400544 XZUGJAFDARSBSV-LJQANCHMSA-N 409.555 4.967 0 40 HJAB CCN(CC)c1ncc(CNC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)s1 95361038 GMEURSWPQBLLSO-QWRGUYRKSA-N 403.436 4.988 0 40 HJAB COc1cccc([C@H]2Nc3nonc3N=C3C[C@@H](c4ccc(F)cc4)CC(O)=C32)c1 102832928 XKLBJSKLYOXXKU-JLTOFOAXSA-N 406.417 4.846 0 40 HJAB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)Nc1cccc(Cl)c1 222632899 RRHJOBZTVGHKCX-UHFFFAOYSA-N 421.682 4.816 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)NC(C)C)cc1 222647700 SXOCYMMXZAWGRZ-QHCPKHFHSA-N 412.549 4.653 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)cc1 223941817 GEVLHETZGXRWJN-SFHVURJKSA-N 408.523 4.595 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCC3CCCCC3)ccc2C)c1 223953761 IJGKDHDFGMLSMS-UHFFFAOYSA-N 414.571 4.723 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 224736124 PAKUPCVLVMABGV-GOSISDBHSA-N 400.950 4.525 0 40 HJAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCCNc1ccccc1 225033810 TXSSUWJKLILZJY-PMACEKPBSA-N 408.596 4.926 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)COc1ccccc1 225035088 HHGMARRHWSUJNY-DEOSSOPVSA-N 422.569 4.630 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 225192081 ZFUFXBJBMKALSO-OALUTQOASA-N 414.977 4.913 0 40 HJAB CCOC(=O)c1cc(NC(=S)NCc2ccc(OC(C)C)cc2)ccc1Cl 225447420 DBVNPPGKPYBAAB-UHFFFAOYSA-N 406.935 4.791 0 40 HJAB O=C(CSCc1ccc(Cl)cc1F)NCC1(c2ccccc2)CCOCC1 225586293 LSHMTLTUBBUFSN-UHFFFAOYSA-N 407.938 4.577 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCCSCc2ccccc2F)c(C)c1 225612962 UAXUESPWKHXHPP-UHFFFAOYSA-N 420.575 4.921 0 40 HJAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2Sc2ccccc2)c1 225969895 YNNVUZZULAVNHD-UHFFFAOYSA-N 412.536 4.852 0 40 HJAB Cc1cccc(-c2nc3sc(=Cc4ccc(-c5ccc(Cl)cc5)o4)c(=O)n3n2)c1 254746908 MIPFEVIXWHBCFP-UHFFFAOYSA-N 419.893 4.588 0 40 HJAB O=C(NCCc1ccc(F)cc1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257287660 PQZGCOLVVWEARY-UHFFFAOYSA-N 418.512 4.586 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2Cl)cc1C 408549381 YPXPZQACVHTJIQ-UHFFFAOYSA-N 420.962 4.630 0 40 HJAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CC[C@@]6(CCN(C)C6)C5)(C4)C2)C3)cc1C 554142092 NFOWGLZGAUWPRI-VQIAFLENSA-N 406.614 4.696 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585148800 HGZFJXGYLFQBRZ-QGZVFWFLSA-N 408.885 4.868 0 40 HJAB O=C(N[C@@H]1CCCN(C(=O)c2cc3cccc(F)c3o2)C1)c1ccc2ccccc2c1 674821965 YPOZEXVOHULTBQ-HXUWFJFHSA-N 416.452 4.760 0 40 HJAB C[C@@H](NC(=O)c1cccc(Nc2nccs2)c1)c1ccc(NC(=O)C2CC2)cc1 1540724232 VLUSRFOHYZIHMC-CQSZACIVSA-N 406.511 4.726 0 40 HJAB COCC(=O)N1CCCCCCCCN(C(=O)c2ccc(C)cc2)Cc2ccccc21 2037884895 GQTWAYGNCKLWIX-UHFFFAOYSA-N 422.569 4.971 0 40 HJAB C[C@H]1CCCN(C(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)C1 901277 ITIATIJEYFMHCY-UONOGXRCSA-N 409.477 4.902 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)cc2)n2nc(-c3ccccc3)nc2N1 950569 DIBYQRWJGYVXNV-JOCHJYFZSA-N 423.476 4.578 0 40 HJAB CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)c12 2147223 WBHNOPSYPKVOAK-INIZCTEOSA-N 417.502 4.653 0 40 HJAB biogenic COc1ccc([C@@H](CNC(=O)Cc2cccc(C(F)(F)F)c2)N2CCCCC2)cc1 3413664 RZPDFPGUNAUJRZ-OAQYLSRUSA-N 420.475 4.600 0 40 HJAB O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)NC(=S)N1C1CCCCC1 3662719 SLSPOOGTCDJXEN-STZFKDTASA-N 410.514 4.795 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1cc2cc3c4c(c2oc1=N)CCCN4CCC3 4193218 KUMPUTDSMXPDTH-UHFFFAOYSA-N 407.901 4.825 0 40 HJAB Cc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3c(C)cc(C)cc3C)s2)cc1 4392813 JYABZJJXVWKPDO-UHFFFAOYSA-N 421.566 4.650 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)Nc3ccc(C)cc3)s2)cc1 4851223 VYMKUESMWSUWOP-UHFFFAOYSA-N 413.528 4.530 0 40 HJAB CC1(C)Cc2nc(-c3ccccc3)n3c(SCc4ccccc4)nnc3c2CO1 5306573 YBXKPPYHJRNUBK-UHFFFAOYSA-N 402.523 4.935 0 40 HJAB CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccc(Cl)cc1 5308969 WVMMTDNGSLVJNN-UHFFFAOYSA-N 416.934 4.741 0 40 HJAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)NC12CC3CC(CC(C3)C1)C2 5560436 XKDGQOWAUMMKHU-DUXPYHPUSA-N 408.325 4.635 0 40 HJAB CCOc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4ccc(OC)cc4cc23)cc1 5577075 QUCVNYRQLNYIKK-UHFFFAOYSA-N 418.497 4.900 0 40 HJAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 6605356 WWRQGMXULWBPIR-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB CCCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1OCCC 6623411 JFKHNGBLVXVDHH-UHFFFAOYSA-N 401.887 4.858 0 40 HJAB O=c1[nH]c(CNc2ccccc2N2CCCCC2)nc2scc(-c3ccco3)c12 7322822 PDNVZEYREYDELK-UHFFFAOYSA-N 406.511 4.847 0 40 HJAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(c2nc3ccccc3s2)CC1 7579678 HLRKHGNBXPHJHS-INIZCTEOSA-N 411.546 4.662 0 40 HJAB Cc1cc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)c(C)n1Cc1ccco1 7904250 JSJDTQOTDGZNLT-HNNXBMFYSA-N 410.543 4.914 0 40 HJAB CC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 7928823 NXALYAKHCFYZQJ-CQSZACIVSA-N 416.315 4.705 0 40 HJAB O=C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 7928890 TXLMTHWGXISBDF-IBGZPJMESA-N 405.881 4.889 0 40 HJAB O=C(CNc1ccccc1C(=O)NCc1ccccc1)Nc1cccc2ccccc12 7977849 ULWPOTRWSIJTFH-UHFFFAOYSA-N 409.489 4.820 0 40 HJAB Cc1ccc(-c2nn(-c3ccccc3Cl)cc2CNCCCN2CCCC2=O)cc1 8402953 JIQREHQIPJJLPO-UHFFFAOYSA-N 422.960 4.603 0 40 HJAB Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccco1)[C@@H]3c1ccc(F)cc1 8612861 PLCAQJQZQOFKOJ-OAQYLSRUSA-N 403.409 4.887 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1 8959084 QJVJTYWBTRYCAB-UHFFFAOYSA-N 410.514 4.745 0 40 HJAB O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9223560 BKBHBOZHDSRYGO-MRXNPFEDSA-N 424.850 4.527 0 40 HJAB O=C(NCCSCc1c(F)cccc1Cl)c1ccc(CN2CCCC2)cc1 10335405 RTTLADMEUNRHFO-UHFFFAOYSA-N 406.954 4.738 0 40 HJAB CC(C)c1ccccc1NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195670 AEQBHFFXJQCCNU-UHFFFAOYSA-N 406.935 4.646 0 40 HJAB CC(C)n1ncc2c(C3CCN(C(=O)c4ccco4)CC3)cc(C(F)(F)F)nc21 12224548 LYFWGOXEYLJEKB-UHFFFAOYSA-N 406.408 4.644 0 40 HJAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4ccccc4c3)CC1)O2 12293622 PDVZPDYYEXQMRW-ZEQRLZLVSA-N 403.522 4.532 0 40 HJAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1c(C(C)C)cccc1C(C)C)C2=O 13071608 XBLZVJVFISCMBE-UHFFFAOYSA-N 413.562 4.763 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12 13113505 LSECTTZCWRMBDU-OUAUKWLOSA-N 420.888 4.672 0 40 HJAB O=c1[nH]c(CSc2nc(C3CCCCC3)n(-c3ccccc3)n2)nc2ccsc12 13116075 XBIRCKMPNBKLMW-UHFFFAOYSA-N 423.567 4.905 0 40 HJAB C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 13141239 LBESYRQCCQTZNA-LBPRGKRZSA-N 422.432 4.746 0 40 HJAB O=S(=O)(Nc1ccc(OC2CCCC2)cc1)c1ccc(Br)s1 13671126 HOZDLDYZFVRHEK-UHFFFAOYSA-N 402.335 4.633 0 40 HJAB Cc1cccnc1NC(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1 13689477 ULPCSZXFAAIUAW-UHFFFAOYSA-N 416.433 4.615 0 40 HJAB CCCOC(=O)c1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 14135230 ADRZSNJUOJGCAL-UHFFFAOYSA-N 406.438 4.659 0 40 HJAB O=C(CSc1nncs1)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 14197933 GGPLZIZWMFMVEZ-UHFFFAOYSA-N 417.575 4.767 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)c1 14236199 WUQIYVMFFRQKDM-UHFFFAOYSA-N 407.514 4.984 0 40 HJAB CCOc1c(Br)cc(C(=O)Nc2cccc(Cl)c2F)cc1OC 15997293 IFPGNDNFJVAIGG-UHFFFAOYSA-N 402.647 4.901 0 40 HJAB COC(=O)c1ccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)cc1 19319831 YPUWJEFFNGJXPY-UHFFFAOYSA-N 400.522 4.880 0 40 HJAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cn(C)nc3C)no2)cc1OC 19583846 RMLZIUMENWASPC-FQEVSTJZSA-N 410.518 4.518 0 40 HJAB O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cc(Cl)c2c(c1)OCO2 24028798 XXUKBCTXWSKBMC-UHFFFAOYSA-N 400.843 4.635 0 40 HJAB CC(C)n1ncc2cc(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)cnc21 24029364 PJRUQQOQYWRQNK-UHFFFAOYSA-N 405.483 4.578 0 40 HJAB C[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1nc(C(C)(C)C)no1 27059904 OZOLMCYXYCOPAX-OAHLLOKOSA-N 417.469 4.533 0 40 HJAB Cc1ccc(-c2nn(-c3ccccc3)cc2CNS(=O)(=O)c2ccc(C)cc2)cc1 27516708 ZBHOMSOJQGZYKW-UHFFFAOYSA-N 417.534 4.635 0 40 HJAB CCCc1noc([C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C)n1 27775456 NHHVDVDTWYZONI-OAHLLOKOSA-N 406.515 4.827 0 40 HJAB C[C@]1(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)Cc2ccccc2C(=O)O1 32675436 YMKFUYCWQMZJFL-WXVAWEFUSA-N 424.500 4.588 0 40 HJAB CCOP(=O)(OCC)[C@H](NC(=O)/C=C\c1ccc(OC)cc1)c1ccccc1 33413436 PHPIHWTXCCRADC-XHVGKJTDSA-N 403.415 4.790 0 40 HJAB O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)Nc1nc2ccccc2s1 35315027 VBFRBVNRYCUSAR-UHFFFAOYSA-N 417.519 4.965 0 40 HJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1ccc(Cn2cncn2)cc1 40067926 XUMSRTGXCQABQN-CQSZACIVSA-N 418.328 4.536 0 40 HJAB O=C(NCCCc1ccccc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 44909278 OUSISYOWQLUIPS-UHFFFAOYSA-N 405.369 4.954 0 40 HJAB O=C1CCc2cc(OC(=O)c3cn(-c4ccccc4)nc3-c3cccs3)ccc2N1 48286504 KBVSCHBTLSDODI-UHFFFAOYSA-N 415.474 4.705 0 40 HJAB O=C1CCSc2ccc(C(=O)Nc3ncccc3OCC3CCCCC3)cc2N1 65512634 YCLLTKGWZXIZCA-UHFFFAOYSA-N 411.527 4.727 0 40 HJAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c(Cl)c1 67299326 PKZUPJOOXQLDQF-LVWGJNHUSA-N 408.841 4.856 0 40 HJAB O=C(CCc1ccccc1)N1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 72371267 XRETYXOFEJCVSK-IBGZPJMESA-N 423.944 4.633 0 40 HJAB CC(C)Oc1cccc(CN2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 72398621 YQXYCXVLJBZQTO-QPPBQGQZSA-N 423.601 4.984 0 40 HJAB COC(=O)c1nc(NC(=O)c2nc(C)sc2-c2ccccc2)sc1C(C)C 79487654 BUTAWCPRKQPNIB-UHFFFAOYSA-N 401.513 4.737 0 40 HJAB C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1ccccc1NC(=O)c1cc(F)cc(F)c1 95451278 WHBNAVWAOFJPKQ-GFCCVEGCSA-N 416.374 4.986 0 40 HJAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)N[C@](C)(c2ccccc2)C(F)(F)F)cc1 95457264 RSDJUUSLMFAHSC-FOIQADDNSA-N 424.488 4.649 0 40 HJAB CSc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c1 98211516 KQZXMGPVXFCPTL-UHFFFAOYSA-N 408.458 4.705 0 40 HJAB C[C@@]12C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1ON(c1ccccc1)[C@H]2c1ccccc1 102701769 JMURSCATIIKWMK-HFMPRLQTSA-N 418.880 4.781 0 40 HJAB Cc1ccc(SCCNC(=O)COc2cc(C)c(Br)c(C)c2)cc1 218833392 WFHFGOCXTATNLU-UHFFFAOYSA-N 408.361 4.662 0 40 HJAB CC1CCN(Cc2ccc(C(=O)NCc3nc(-c4ccccc4Cl)no3)cc2)CC1 219235926 UCIOPQGQQOKXIA-UHFFFAOYSA-N 424.932 4.552 0 40 HJAB C[C@@H](C(=O)NCCC1=CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1 222760395 RFTWFOMAUZIMJP-NRFANRHFSA-N 404.554 4.653 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223798837 MTLIVGPWNCIYOO-SFHVURJKSA-N 412.549 4.609 0 40 HJAB COc1cccc(-c2cnc(-c3ccccc3C(=O)NCc3ccccc3OC)o2)c1 224903681 YYTQRUXSLJTKDR-UHFFFAOYSA-N 414.461 4.956 0 40 HJAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225584699 CBKMDYVZZPVFGP-QGZVFWFLSA-N 402.941 4.829 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)C)cc1 225627772 DLEFMWQJTIPGOU-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225691489 MCTMUBGYKHJNQA-NRFANRHFSA-N 422.613 4.901 0 40 HJAB Cc1cccc2nc(C(=O)N3CCCC[C@H]3c3ncc(Cc4cccc(F)c4)o3)cn12 257326414 WXDIEQWGPXCFAD-NRFANRHFSA-N 418.472 4.728 0 40 HJAB O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1cccc(Cl)c1 408627693 NCCBERUOHGVSJN-UHFFFAOYSA-N 404.116 4.883 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1 408678258 HYYKWKIOLSOTQJ-OAHLLOKOSA-N 415.658 4.741 0 40 HJAB CCOC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)c(C)c1 409097142 HPCFOACXZMJXPF-UHFFFAOYSA-N 401.919 4.860 0 40 HJAB COc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 409382620 VLQZSVKJDFFZEZ-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB C[C@H](C(=O)O)N1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 585263155 PETCOQHDUNTCGE-OAHLLOKOSA-N 408.527 4.601 0 40 HJAB COc1cc(C)ccc1OCC(=O)Nc1ccccc1-c1cn2cccc(C)c2n1 585318045 OIOUADRCVHFUNX-UHFFFAOYSA-N 401.466 4.644 0 40 HJAB O=C(Nc1ccc(-c2ccccc2F)nn1)N1CCc2c(cccc2C(F)(F)F)C1 1220364973 OQAZIIAAGXYXKA-UHFFFAOYSA-N 416.378 4.892 0 40 HJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCC(=O)c1ccc(Br)cc1 820317 QFEWJBXYIAGJTG-GFCCVEGCSA-N 411.679 4.604 0 40 HJAB Cc1cccc(-n2ncc3c2ncn2nc(COc4ccc5ccccc5c4)nc32)c1 2425209 OFFCVIGHVMXTFC-UHFFFAOYSA-N 406.449 4.504 0 40 HJAB CC[C@H](C)n1c(SCC(=O)Nc2ccccc2Cl)nc2ccccc2c1=O 3410522 NMSHFKMABLZSMZ-ZDUSSCGKSA-N 401.919 4.752 0 40 HJAB CCOc1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1 4070433 UGKXKNQOFNWREI-UHFFFAOYSA-N 404.289 4.619 0 40 HJAB Cc1cccc(NC2=Nn3c(nnc3-c3ccccc3Br)SC2)c1C 4189858 NHFAITMNWMGHDQ-UHFFFAOYSA-N 414.332 4.704 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-n2cccc2)cc1 4518672 JVEDEDKRGLQXNV-UHFFFAOYSA-N 409.559 4.732 0 40 HJAB O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC(=O)c1ccc(-c2ccccc2)cc1 4547115 DUVUQWZJPRUIAN-QFIPXVFZSA-N 417.486 4.583 0 40 HJAB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2)cc1 4741998 AWAHGSLTRIODQF-HSZRJFAPSA-N 410.477 4.973 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1F 4834942 ZMJAPIRAXNSGPD-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3[C@H](C)CCC[C@H]3C)ccc2C)cc1 4863415 FPYXHRIONRJIBX-QZTJIDSGSA-N 400.544 4.507 0 40 HJAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccc4ccccc34)=NN12 4994823 PMOUPNXSYKTGIO-DEOSSOPVSA-N 411.505 4.722 0 40 HJAB CC1(C)O[C@@](C)(CN2CCCC2)CC[C@@H]1NC(=O)C(c1ccccc1)c1ccccc1 5432560 PJBOSXAOCVTWGX-WNCULLNHSA-N 420.597 4.747 0 40 HJAB CCOc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)c1 6026691 FBPNOSNEADVGMO-UHFFFAOYSA-N 417.962 4.856 0 40 HJAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 6553422 XSHRAOPBIHZGSO-UHFFFAOYSA-N 401.422 4.714 0 40 HJAB CCc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc1 6752866 NHCSVPYHBLUKIR-DEOSSOPVSA-N 419.525 4.705 0 40 HJAB COc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)c(OC)c1 6781390 OCTDWBMVECDYJD-UHFFFAOYSA-N 405.479 4.936 0 40 HJAB CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cc(C)ccc1C)S2 6812241 NXMXIZFDRGBJPS-LEWJYISDSA-N 421.570 4.554 0 40 HJAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c(C)c1 6942464 UDSMTLPZNSCAGD-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2oc3ccccc3c2C)c1C 7408708 QSGOCMOWZIQWER-LJQANCHMSA-N 420.509 4.618 0 40 HJAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccccc2Cl)o1 7610299 XLVXQBGHONMWNO-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB CCOc1ccc([C@@H]2CCCN2Cn2nc(-c3ccc(OC)cc3)n(C)c2=S)cc1 8189860 ZLNNATZIJWAGIJ-NRFANRHFSA-N 424.570 4.820 0 40 HJAB Cc1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cccc1[N+](=O)[O-] 8330939 ISRPHSCYUZYBRQ-XMHGGMMESA-N 403.394 4.991 0 40 HJAB O=C(CSc1ccc2ccccc2n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8447848 UQKMTGRUDIUFFV-HXUWFJFHSA-N 420.534 4.852 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 9095023 AWJBVIMYXCWILB-UHFFFAOYSA-N 424.840 4.551 0 40 HJAB Cc1noc(C)c1C(=O)O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 9284447 AHLBXWSZWWRBJF-GOSISDBHSA-N 418.371 4.847 0 40 HJAB COc1ccc(NC(=O)c2cc(Br)c(Br)s2)c(OC)c1 9491485 DBCWTPANSOGQPU-UHFFFAOYSA-N 421.110 4.543 0 40 HJAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccc(Cl)cc4)ncnc32)c(C)c1 9517768 QFBHKQGQKDIPCX-UHFFFAOYSA-N 423.929 4.817 0 40 HJAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CSCc1ccc(C(F)(F)F)cc1 9910485 WRDKMBYULUIYFE-UHFFFAOYSA-N 408.445 4.703 0 40 HJAB C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1 11398452 NBZRNBJXUYDXBC-DLBZAZTESA-N 414.461 4.918 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3)C2)c2ccccc12 12757859 WPWGFOFEVRBBIK-INIZCTEOSA-N 422.912 4.993 0 40 HJAB COc1ccc(NC(=O)Cc2csc(SCc3ccc(C)cc3)n2)cc1OC 13010384 XEQWFQSQFFPODH-UHFFFAOYSA-N 414.552 4.942 0 40 HJAB CCCc1cc(=O)[nH]c(S[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)n1 15587333 LPTOPWFVIQJPPE-NRFANRHFSA-N 423.538 4.512 0 40 HJAB O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1cc(F)ccc1F 16841470 KWVAQYDKFPHOCO-UHFFFAOYSA-N 414.412 4.544 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2)cc1C 17251484 BZPYCNRXJCVIMQ-UHFFFAOYSA-N 404.495 4.791 0 40 HJAB Cc1nc(-c2cccc(NC(=O)C[C@H](NC(N)=O)c3ccc(Cl)cc3)c2)cs1 18824910 HFHWUQOAGJYZBQ-KRWDZBQOSA-N 414.918 4.510 0 40 HJAB CC(C)C(=O)N1CCC[C@](Cc2cccc(-c3cccs3)c2)(C(=O)NC2CC2)C1 19085420 QGYYDHNBLFHXHK-XMMPIXPASA-N 410.583 4.501 0 40 HJAB CC(C)C(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19085525 QPORHXIYHUEERZ-LJQANCHMSA-N 401.514 4.644 0 40 HJAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CCc3nc4ccccc4s3)CC1)O2 19218186 FXFGZJPWPPLHKH-UHFFFAOYSA-N 420.534 4.564 0 40 HJAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2ccccc2Cl)C1 19591741 PRHWIWGAUKTEJR-VWLOTQADSA-N 419.956 4.583 0 40 HJAB COc1ccc(C(=O)C[C@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 19944793 VYQPIHYFOPYIPX-RUZDIDTESA-N 418.512 4.971 0 40 HJAB Cc1cc(C)cc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1 22273961 QBFPOFAVZGUXBW-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB CCOc1ccccc1-c1nc(CC(=O)NCCSCc2ccsc2)cs1 23190398 HNAJFVPEXQSEGK-UHFFFAOYSA-N 418.609 4.862 0 40 HJAB CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1ccccc1C 32753771 OPPMPNMBUSNTRX-UHFFFAOYSA-N 422.550 4.795 0 40 HJAB COc1cc2cc([C@H]3CC(c4cccs4)=NN3C(C)=O)c(Cl)nc2cc1OC 32934839 BTYUWMDMIRDZSH-MRXNPFEDSA-N 415.902 4.665 0 40 HJAB O=C(O)CCC(=O)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 33573711 OFSWBVKSEHHYTE-RSCKOCQQSA-N 400.525 4.797 0 40 HJAB CN(c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12)C1CCCCC1 34689074 HSPHDBDSQINUGM-UHFFFAOYSA-N 422.598 4.959 0 40 HJAB CCc1nn2c(nnc3c(=O)n([C@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccccc1 40388366 CGVGSAQYWHRPKT-BXWFABGCSA-N 401.514 4.666 0 40 HJAB O=C(/C=C/c1ccccc1Cl)NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1 44005662 XPXYJUHEPPHVEK-BJMVGYQFSA-N 415.896 4.553 0 40 HJAB O=S(=O)(Cc1cc(-c2ccccc2)on1)c1ccc(Cl)c(C(F)(F)F)c1 55345923 BUEOXQBILBZVNX-UHFFFAOYSA-N 401.793 4.988 0 40 HJAB COc1ccc(CN2COc3c(cc4c5c(c(=O)oc4c3C)CCCCC5)C2)cc1 55393831 WYUDEDNDMYSITL-UHFFFAOYSA-N 405.494 4.731 0 40 HJAB biogenic CCc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 57486760 WUUPFWWAXCTBJO-UHFFFAOYSA-N 420.900 4.737 0 40 HJAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 58146706 ZGZSOKCJWBOTEQ-CYBMUJFWSA-N 412.748 4.796 0 40 HJAB COc1ccc(-c2nc(C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cs2)cc1 63584580 GSNRWEJEPZKJBS-UHFFFAOYSA-N 411.502 4.675 0 40 HJAB COc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccc(OC)cc2)cc1 71327625 KQJALMOGQANZLA-UHFFFAOYSA-N 424.547 4.816 0 40 HJAB Cc1cc(-c2cncnc2)cc([C@H]2CCCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 72353747 ZBSXBZPEWDOMKB-FQEVSTJZSA-N 414.553 4.940 0 40 HJAB O=C(Cc1ccccc1Cl)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77177475 FJJXNXGZQFSJTK-OAHLLOKOSA-N 415.921 4.946 0 40 HJAB OC1(Cn2ccc3ccncc32)C[C@H]2CC[C@H](C1)N2Cc1ccc(Cl)c(Cl)c1 100146022 DJDIFVMYVHWIBW-QZTJIDSGSA-N 416.352 4.901 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Cl 107636391 WGHIYLGHERAIII-UHFFFAOYSA-N 400.205 4.822 0 40 HJAB COc1cc(Cl)cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1O 214149172 SXMKTTUMOAIESG-VIZOYTHASA-N 410.278 4.944 0 40 HJAB Cc1ccc(OCCCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222734139 ZAOYWIPOORNAOK-NRFANRHFSA-N 424.585 4.794 0 40 HJAB CCc1ccc(O[C@@H](CC)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 222902736 ABMPTKKAMXUPQC-IBGZPJMESA-N 413.905 4.768 0 40 HJAB Cc1cc(NC(=O)CSCc2ccc(Cl)cc2F)ccc1N1CCCC1=O 223348531 IPTSYWKHPNFGOG-UHFFFAOYSA-N 406.910 4.786 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 223938645 ZGSLOOJVXRMLFJ-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 224153829 MQLKKRPUZZOINQ-QFIPXVFZSA-N 412.961 4.749 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 224170490 JQGZXTLCMSYDRV-JOCHJYFZSA-N 412.599 4.562 0 40 HJAB CC(C)C(NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl)C(C)C 224230817 OQBNBIAMVHJMEH-UHFFFAOYSA-N 422.978 4.576 0 40 HJAB Cc1cccc(C2(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CCOCC2)c1 224994193 QRKMHZXWXYSLHL-UHFFFAOYSA-N 401.934 4.670 0 40 HJAB Fc1ccccc1CSCCNC(=S)Nc1ccc(Br)cc1F 225413105 XVPJRRHYAJPEEW-UHFFFAOYSA-N 417.344 4.947 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 225491813 HLLRRKJWBHWPGG-IIBYNOLFSA-N 418.940 4.744 0 40 HJAB C[C@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccccc2Cl)n1 225938812 KYPPWSOHJBKWEL-LBPRGKRZSA-N 410.374 4.649 0 40 HJAB NC(=O)c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Br)o1 226359415 FWQJOARNPXAKNW-UHFFFAOYSA-N 412.987 4.589 0 40 HJAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OCC)c(OC)c4)OCC[C@@]31C2 257215066 CONDHBWLWXGTCU-VJNJQGDRSA-N 415.574 4.893 0 40 HJAB COc1cccc(-c2cc(-c3ccc(C)cc3OCC(=O)O)nn2CC(C)C)c1OC 257235547 GYGDKYHGHKKFHV-UHFFFAOYSA-N 424.497 4.662 0 40 HJAB FC(F)(F)c1ccccc1Cc1cccc([C@H]2CN(Cc3ccncc3)CCO2)n1 257302931 SFAXXYLCHFTGDH-JOCHJYFZSA-N 413.443 4.660 0 40 HJAB CO[C@]1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCC[C@H](C)C1 260814769 NIUCCHZYCQURBK-PWSZPPJVSA-N 402.579 4.577 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC=C[C@H](C)[C@H]2C1=O 408670257 IKSDTCDVIXKYID-GQWAEJPESA-N 408.885 4.602 0 40 HJAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(F)c2)cc1 408675028 FZUWJYQEOKYYRJ-UHFFFAOYSA-N 402.425 4.966 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3C)C2=O)cc1Cl 409181361 BGCWHNBVRQNINC-RQZCQDPDSA-N 400.887 4.632 0 40 HJAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1cccc(Br)c1)N2 409190865 XFRHJGKEJICVFM-AYOQOUSVSA-N 402.288 4.870 0 40 HJAB CCc1csc([C@H]2CCCN(CCN3CCC[C@@H](c4nc(CC)cs4)C3)C2)n1 514098189 BZNZJHDBAJELJW-HDICACEKSA-N 418.676 4.783 0 40 HJAB C[C@H]1CN(C(=O)C2(C(=O)N3C[C@@H](C)[C@H]3c3ccccc3)CCC2)[C@@H]1c1ccccc1 531633296 YUCRTIOQZXIUSM-YDLSIGKMSA-N 402.538 4.596 0 40 HJAB COc1ccc(Cl)cc1NCN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O 2120224 DVSWMXLQAZBUSS-ZDLGFXPLSA-N 417.918 4.521 0 40 HJAB O=C(NC(=O)c1c(F)cccc1F)Nc1ccccc1SCCC(F)(F)F 2372420 IIAFPLHCFSCHGG-UHFFFAOYSA-N 404.360 4.971 0 40 HJAB CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccc(F)cc4)nc3C2)cc1 2411340 ZAFUBSBPKWIGKB-GOSISDBHSA-N 403.457 4.904 0 40 HJAB COCCCn1c(SCC(=O)c2ccccc2F)nnc1-c1ccc(Cl)cc1 2625871 BAFJDGAOXCRJRN-UHFFFAOYSA-N 419.909 4.749 0 40 HJAB O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)NCc1cccc(Cl)c1 2970587 YRYHUKUPWHDTEB-UHFFFAOYSA-N 415.946 4.589 0 40 HJAB CCCCNC(=O)OC[C@]12CO[C@H](c3ccc4c(c3)OCO4)[C@H](C(C)=C[C@@H]1C)[C@H]2C 4023514 IIOVNYVUSZTJQU-FOJVULFUSA-N 415.530 4.848 0 40 HJAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1ccccc1F 4033441 CHLJOSGKIMTQIJ-QGZVFWFLSA-N 403.432 4.883 0 40 HJAB COc1ccc(N[C@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 4115998 PXDRGPOVGPPARB-OAHLLOKOSA-N 408.112 4.887 0 40 HJAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 4496244 UYFRNNXFATYFAZ-UHFFFAOYSA-N 415.898 4.935 0 40 HJAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3c(C)cc(C)cc3C)c3ccccc32)cc1 4555155 PZPLPJWLMPSFDT-HHHXNRCGSA-N 413.517 4.928 0 40 HJAB COC(=O)c1ccc(CSc2nc3sc(C)c(C)c3c(=O)n2C(C)C)cc1 4948832 HJFFMBYPGZYPLK-UHFFFAOYSA-N 402.541 4.735 0 40 HJAB COc1ccc(CCn2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1OC 5066116 RMMDCKDAHIFZON-UHFFFAOYSA-N 410.477 4.906 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1C 5108287 TZBWFWSUYQUXPC-UHFFFAOYSA-N 400.434 4.907 0 40 HJAB CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(c1cc(C)on1)C3=O 5272632 FFEFKLPLJASXHZ-FQEVSTJZSA-N 404.397 4.541 0 40 HJAB CN(C)CCCn1cnc2c(c1=N)[C@H](c1ccccc1)c1c(ccc3ccccc13)O2 5345382 IHRFPTCLRSKIJT-JOCHJYFZSA-N 410.521 4.753 0 40 HJAB CC(C)CC(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 6238832 PXPYUIKIMQXAME-UHFFFAOYSA-N 403.891 4.713 0 40 HJAB CCOc1ccc([C@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc1OC 6679002 LEOHBXVJNULNFO-QVKFZJNVSA-N 423.538 4.751 0 40 HJAB CN(Cc1ccc2ccccc2c1)C(=O)CCC(=O)c1ccc2c(c1)OCCCO2 6880025 AFYHQCHMYQRJRD-UHFFFAOYSA-N 403.478 4.623 0 40 HJAB O=C(c1cccs1)N(CCCn1ccnc1)c1nc2c(F)cc(F)cc2s1 7424721 LQNCDFMEGAFFAC-UHFFFAOYSA-N 404.467 4.570 0 40 HJAB CSc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3cccc(F)c3)nc12 7599733 GEYFSWNXDRRMOE-OAHLLOKOSA-N 402.516 4.983 0 40 HJAB COc1ccc(CCNC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 7735948 SOYMXJUMQJDWNH-UHFFFAOYSA-N 402.523 4.768 0 40 HJAB Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1NC(=O)c1ccco1 7736714 SWOZDOGQSLKFHX-UHFFFAOYSA-N 403.843 4.595 0 40 HJAB CC(C)c1ccccc1NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 8492352 XVNDBVQTAIZLJY-UHFFFAOYSA-N 408.951 4.648 0 40 HJAB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@](C)(C(=O)O)[C@@H]1C[C@H]1Nc2ccccc2C1=O 8615804 LSPRYAWXULXANH-NXBYJIJWSA-N 423.553 4.668 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)/C=C/c3ccccc3)s2)c1 9364973 IQMPOGMMJOWMSQ-ZHACJKMWSA-N 424.551 4.538 0 40 HJAB NC(=O)c1ccc(NC(=O)Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 9523669 KSKAXXHKSUBYFS-UHFFFAOYSA-N 417.896 4.623 0 40 HJAB O=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)c1cccc(Cl)c1 9568893 PRDYUQNIEHDTGU-UHFFFAOYSA-N 417.321 4.737 0 40 HJAB Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 10796160 RAHDTSYDPRMACQ-UHFFFAOYSA-N 417.086 4.860 0 40 HJAB CCOc1ncccc1C(=O)N(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1 11088961 YHAOWOXHXFJZCB-SFHVURJKSA-N 417.509 4.842 0 40 HJAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCC(c2nc3ccccc3s2)CC1 11257835 YTMYFLHUKQTEGM-SFHVURJKSA-N 419.550 4.594 0 40 HJAB Cc1ccccc1[C@@H](C)NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 12755113 CQUMPHMGSCURBZ-LJQANCHMSA-N 400.522 4.878 0 40 HJAB Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc5c(c4)OCCO5)cc3)o2)c1 12759318 RMPXAARXRGXTDX-UHFFFAOYSA-N 413.433 4.736 0 40 HJAB Cc1cc(OCCCC(=O)NC2CCN(Cc3ccccc3)CC2)ccc1Cl 12798023 FDYJREWLTZTIJN-UHFFFAOYSA-N 400.950 4.588 0 40 HJAB C[C@H]1Oc2ccc(NC(=O)CSC(c3ccccc3)c3ccccc3)cc2NC1=O 13001492 SKILZMAZWUKAGT-MRXNPFEDSA-N 418.518 4.867 0 40 HJAB O=C1CCSc2ccc(C(=O)Oc3ccc(C(=O)c4ccccc4)cc3)cc2N1 13040759 XIHZQYHCSQLAID-UHFFFAOYSA-N 403.459 4.571 0 40 HJAB O=C(Nc1nc([C@@H]2COc3ccccc3O2)cs1)c1cccc(Br)c1 13732466 YXANNZVGRSUXCA-INIZCTEOSA-N 417.284 4.670 0 40 HJAB COc1ccc(-c2c(C)nn3c4c(cnc23)C(=O)C[C@H](c2cc(F)cc(F)c2)C4)cc1 14163837 QLBGMFDEMUDUQH-MRXNPFEDSA-N 419.431 4.904 0 40 HJAB Clc1ccccc1-c1nnc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)o1 15309976 RKRXBGGJOGTQMD-SFHVURJKSA-N 411.889 4.888 0 40 HJAB COc1cc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc(OC)c1OC 15782955 HGIZKXBZMNIRLS-UHFFFAOYSA-N 415.449 4.575 0 40 HJAB Cc1cccc(OC[C@H](O)Cn2c(COc3ccccc3)nc3ccccc32)c1C 15860749 FJFMTXSTZZYOES-HXUWFJFHSA-N 402.494 4.672 0 40 HJAB CNc1snc(C)c1C(=O)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 16552451 FAKKIIGVADTFLR-OAQYLSRUSA-N 414.458 4.597 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COC2CCC(C(C)(C)C)CC2)CC1 16663188 WHFLODBISFQOFO-IRQNMHNUSA-N 423.041 4.753 0 40 HJAB Cc1cc(NC(=O)c2ccc(F)cc2F)n(-c2nc(-c3cccs3)cs2)n1 17012063 OVWWVSHOOULDDB-UHFFFAOYSA-N 402.451 4.896 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)c1 17091076 SSCVVDOCBBTFIG-UHFFFAOYSA-N 417.490 4.944 0 40 HJAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3O)oc2c1 17092660 PZPLIULKLWARTK-UHFFFAOYSA-N 421.453 4.775 0 40 HJAB Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(Cc3ccccc3F)CC2)on1 19123236 IRHVTVGPOQCKFG-UHFFFAOYSA-N 409.509 4.779 0 40 HJAB Fc1ccc(-c2nnc(CSc3nnc(COc4ccc(Cl)cc4)o3)o2)cc1 19929107 NXOVIWAZNNZNGV-UHFFFAOYSA-N 418.837 4.783 0 40 HJAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(Cl)cc1 20151940 ONVYHCFZCZABBL-UHFFFAOYSA-N 421.305 4.873 0 40 HJAB CC1CCN(Cc2ccc(C(=O)NCCSCc3ccccc3F)cc2)CC1 20451271 JEYBPZXZRLYYJO-UHFFFAOYSA-N 400.563 4.721 0 40 HJAB O=C(Cc1csc(-c2ccccn2)n1)Nc1cccc(NC(=O)c2cccs2)c1 24033466 MGSFPEKULVYCLL-UHFFFAOYSA-N 420.519 4.700 0 40 HJAB CC(C)n1c(SCc2cccnc2)nnc1[C@H]1CCCN(Cc2cccs2)C1 26441103 WUTVHCSTJCFCEX-SFHVURJKSA-N 413.616 4.987 0 40 HJAB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)c1 26771775 ROXJCVJZPAJKGV-CNHKDYKUSA-N 421.537 4.612 0 40 HJAB O=C(N[C@H](C(=O)OCc1ccc(C(F)(F)F)cc1)c1ccccc1)c1ccco1 27500561 IIGJGPBIENXCSG-SFHVURJKSA-N 403.356 4.513 0 40 HJAB COc1cccc(NC(=O)Nc2ccc(-n3nc(C)c(Br)c3C)cc2)c1 27924744 SOWGYHZNACLQMW-UHFFFAOYSA-N 415.291 4.904 0 40 HJAB COc1cc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)cc(OC)c1 28273518 WXCDGVFNWCNTHY-UHFFFAOYSA-N 419.506 4.896 0 40 HJAB Cc1ccc(Oc2ccccc2NC(=O)C[C@H](NC(N)=O)c2ccccc2F)cc1 29978910 WXNQCXUPIVSONB-FQEVSTJZSA-N 407.445 4.665 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C1CC1)[C@@H](C)c1ccccc1F 40155714 UJSNRZFVKBPLMW-KRWDZBQOSA-N 406.505 4.792 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc(F)c3)c2)cc1 44884909 RDVFCLQKVWMFRZ-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C)cc3)n2)cc1 46012236 FYODDCJNLJBHFQ-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(C4CCCCC4)cc3)CC2)cc1 57712366 OQBMMENNYKOKEE-UHFFFAOYSA-N 419.569 4.698 0 40 HJAB CCN1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2Cl)CC1 64370018 RSBWKLPMGLDAHZ-UHFFFAOYSA-N 411.977 4.932 0 40 HJAB CC[C@H](C)n1c(SCC(=O)Nc2cccc(Cl)c2)nc2ccsc2c1=O 67335104 QLGFNSHHJIPLBE-NSHDSACASA-N 407.948 4.813 0 40 HJAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3oc4ccc(F)cc4c3C)CC1)O2 72390744 UPYJZZNGXQMTOP-UHFFFAOYSA-N 407.441 4.829 0 40 HJAB O=C(CCc1ccccc1)Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2 98086825 OWMRLWGXUCTZHS-UHFFFAOYSA-N 421.880 4.914 0 40 HJAB C[C@@H]1[C@@H](NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)CCC[C@H]1C 102389200 OXJAJWMYNWPXBW-RYRKJORJSA-N 410.543 4.560 0 40 HJAB C[C@@H]1CCCN([C@H](c2ccccc2F)c2sc3nc(-c4ccco4)nn3c2O)C1 102894307 XNDPENLGZFYLEA-CXAGYDPISA-N 412.490 4.717 0 40 HJAB O=C(NCc1ccc2ccccc2c1)c1ccc(NS(=O)(=O)c2cccs2)cc1 222786090 GWXLBDOFWGOLAS-UHFFFAOYSA-N 422.531 4.632 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 223732213 RQTZJWYSLBXKDN-XMMPIXPASA-N 424.585 4.878 0 40 HJAB CN(c1ccc(Cl)c(C(=O)Nc2ccc(F)cc2)c1)S(=O)(=O)c1ccccc1 224331920 JJFNABHARJCGKA-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 225170771 AZINWWDJLCEGBF-MSOLQXFVSA-N 400.950 4.523 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCC1(c2ccccc2)CCOCC1 225294439 VFICIPPNOBCRFJ-DEOSSOPVSA-N 407.554 4.587 0 40 HJAB CC1CCN(CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)CC1 225778115 IHIUKQJFTUFVQW-UHFFFAOYSA-N 400.950 4.771 0 40 HJAB CCOC(=O)c1cc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)ccc1Cl 225791283 FPYJXLFYUAMPNT-OAHLLOKOSA-N 420.962 4.887 0 40 HJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(I)cc1 225812023 SBNXJMWCKPUDNZ-CYBMUJFWSA-N 421.278 4.576 0 40 HJAB Cc1c(C(=O)N2CC[C@](C)(O)[C@@H](Oc3ccc(Cl)cc3)C2)oc2ccc(F)cc12 257308916 TYSMTOCEWZZTDH-UGKGYDQZSA-N 417.864 4.578 0 40 HJAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)C(=O)[C@H]2C1 408689961 ZXXURGJNYFAPFU-OALUTQOASA-N 408.885 4.746 0 40 HJAB CC(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 408708845 UMLICFADVCVMGK-MRXNPFEDSA-N 405.325 4.786 0 40 HJAB COc1ccc(Cl)cc1NCC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C 615010103 ADWBZQNEEONURQ-UHFFFAOYSA-N 423.900 4.960 0 40 HJAB COc1cccc(Cc2cnc([C@H]3CCCCN3Cc3ccccc3C(=O)O)o2)c1 1848353348 YKVHRLHBCLNTNX-JOCHJYFZSA-N 406.482 4.699 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 790173 GDCVEBGFSHEWSY-UHFFFAOYSA-N 423.929 4.817 0 40 HJAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)N4c5ccccc5C[C@@H]4C)c23)C1 928909 WZRDAQITYDSONV-KBPBESRZSA-N 409.580 4.886 0 40 HJAB Cc1cc(C)cc(Oc2coc3cc(OCC(=O)N4CCCCC4)ccc3c2=O)c1 956125 RNBYSACXRYEVRN-UHFFFAOYSA-N 407.466 4.593 0 40 HJAB Nc1nc(N)c(-c2cccc(C(F)(F)F)c2)c(Cc2cccc(C(F)(F)F)c2)n1 1697163 CQCYWCWYOWSXIW-UHFFFAOYSA-N 412.337 4.936 0 40 HJAB in-vitro O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1cccc(Br)c1 2474930 ZUGUVCNNWUPOAA-UHFFFAOYSA-N 400.301 4.634 0 40 HJAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccccc1)N1CCCCC1 2649962 VHLUMZUWDMLYKV-UHFFFAOYSA-N 417.538 4.520 0 40 HJAB O=C(O)CCCCn1c(SCc2ccccc2Cl)nc2ccsc2c1=O 2925510 LYBMSWWYNFBKPP-UHFFFAOYSA-N 408.932 4.659 0 40 HJAB O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccc(Oc2ccccc2)cc1 4107171 RGENPHUHZBRBHW-UHFFFAOYSA-N 415.405 4.552 0 40 HJAB COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cccc(C)c2)c1 4518142 PPTBSYQCMQDLBB-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB Cc1cccc(NC(=O)c2c(NC(=O)CN3CCCC[C@@H]3C)sc3c2CCC3)c1 4554480 ZJNGICXZKOIDTB-INIZCTEOSA-N 411.571 4.610 0 40 HJAB CCCCNC(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 4644338 MEMXVPWFXWHPON-UHFFFAOYSA-N 402.829 4.660 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)c1 4893835 DIDBCXWKWZSMIP-UHFFFAOYSA-N 404.422 4.778 0 40 HJAB CCOCCCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)nc2c(C)ccc(C)c12 4897869 GMIAETQQPCANEN-SFHVURJKSA-N 423.582 4.937 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)cc1C 5036688 KNNPLHWVPWSQAY-UHFFFAOYSA-N 409.555 4.790 0 40 HJAB COc1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1 5136243 KXQHXIDYCSHRSW-UHFFFAOYSA-N 406.507 4.531 0 40 HJAB Cc1ccccc1OCCCn1c(CCCNC(=O)c2ccco2)nc2ccccc21 5235820 YDMNDGLRTXOEHP-UHFFFAOYSA-N 417.509 4.769 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccncc2)N1CCc1ccccc1 5515975 LSBMNNUTFOXTLU-OAQYLSRUSA-N 416.864 4.629 0 40 HJAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CC1=O 6406707 WWYNRUFYZLSQOO-FQEVSTJZSA-N 400.478 4.744 0 40 HJAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 6587101 CRRUSOSIBVSAPA-DEOSSOPVSA-N 402.494 4.801 0 40 HJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2I)cc1 7080164 AIILOJMEKCUVQZ-ZDUSSCGKSA-N 409.267 4.822 0 40 HJAB CCOc1ccccc1NC(=O)[C@@H](Sc1nnc(C)n1C1CC1)c1ccccc1 7617390 WMORCEOJGWHTCL-FQEVSTJZSA-N 408.527 4.792 0 40 HJAB COc1ccccc1N[C@@H](CNS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 9128315 HJZRNRNXZQFCDA-INIZCTEOSA-N 422.959 4.542 0 40 HJAB COc1cc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1O 9171911 WRRYPSKSUFRAEI-LJQANCHMSA-N 411.461 4.728 0 40 HJAB CC(C)(C)Nc1c(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)nc2ccccn12 12087446 TWXNGNWHARIHQF-UHFFFAOYSA-N 408.521 4.633 0 40 HJAB CCCOc1cc(Nc2ccc(NC(=O)Nc3cccc(OC)c3)cc2)nc(C)n1 12225944 OECSEQSPEOZLJE-UHFFFAOYSA-N 407.474 4.970 0 40 HJAB CC(C)(C)c1ccccc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12761035 HXOUWWCLGQLEIA-UHFFFAOYSA-N 409.555 4.663 0 40 HJAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CSCc1ccc(C)cc1 12892635 YHYWROOOPHMLCE-UHFFFAOYSA-N 404.963 4.677 0 40 HJAB Cc1cc(C)c(NC(=O)[C@@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 13038676 RAGGITKXIJGNOZ-GOSISDBHSA-N 419.491 4.780 0 40 HJAB CC[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1ccccc1)S(C)(=O)=O 13711624 OSTUQQWBNHMYCD-JOCHJYFZSA-N 408.523 4.537 0 40 HJAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cc(C)ccc1C 14126534 PVROCCXINFDIHC-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB FC(F)(F)c1cccc(CSc2nc(CN3CCOCC3)nc3ccccc23)c1 14169668 CAJWGLNXDPLIQT-UHFFFAOYSA-N 419.472 4.773 0 40 HJAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccc2ccccc12 14291285 GGTYVDKLOUTQGO-UHFFFAOYSA-N 415.478 4.575 0 40 HJAB O=C(CSCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1 14426139 JHNIDZYZZITXSV-UHFFFAOYSA-N 403.718 4.957 0 40 HJAB CCCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(CC)cc3)nc2cc1C 17088337 KRGJHOSAJNGHSA-UHFFFAOYSA-N 409.559 4.685 0 40 HJAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccccc1Br 17092072 BWJUFIRLIKDUOI-UHFFFAOYSA-N 420.115 4.588 0 40 HJAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 19236824 MHGQPPKWKXRZQY-BWKNWUBXSA-N 417.528 4.912 0 40 HJAB CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN2C(=O)c2cccc3cccnc23)n1 19689373 QGBKWGQCMUGBCV-JOCHJYFZSA-N 423.520 4.735 0 40 HJAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)CC2CCCC2)n1 19694443 PLCUDPVDLGMOIN-NRFANRHFSA-N 410.537 4.983 0 40 HJAB Cc1ccccc1-c1cccc(CC2(C(N)=O)CCN(C(=O)c3ccccc3)CC2)c1 19700402 DFAJVRXQKBXEIP-UHFFFAOYSA-N 412.533 4.612 0 40 HJAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3cncn3-c3ccccc3)cc2)n1 22890821 IQDMKLUMUXLQQF-UHFFFAOYSA-N 401.495 4.683 0 40 HJAB CCn1c2ccccc2c2nnc(SCC(=O)N3CCC[C@@H]3c3cccs3)nc21 24633702 YOYNILYSKMNEMC-MRXNPFEDSA-N 423.567 4.517 0 40 HJAB C[C@@H]1CN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C[C@@H](C)O1 25329448 MUDFBKCKCRBPPG-ZOCZFRKYSA-N 424.368 4.570 0 40 HJAB Clc1ccc(OCc2cccnc2)c(CNCc2ccc(Cn3cccn3)cc2)c1 27217590 ODVZCLSBTCUZHB-UHFFFAOYSA-N 418.928 4.849 0 40 HJAB CCOc1ccc(-c2nc(-c3cccc(NC(=O)C4CCC4)c3)no2)cc1OCC 28221802 OBODBFIPABPDQX-UHFFFAOYSA-N 407.470 4.940 0 40 HJAB Cc1cccc2c1N[C@@H](c1cc(Br)ccc1OCc1ccccn1)NC2=O 28923555 IKLJWDKYSGMYBC-HXUWFJFHSA-N 424.298 4.586 0 40 HJAB O=C(Nc1ccccc1SCc1cc(=O)n2ccccc2n1)c1cccc(Cl)c1 33026145 SIYTWDXAWQEPND-UHFFFAOYSA-N 421.909 4.893 0 40 HJAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)c(Cl)c2)c1OC 36364842 JNFOEKBKXQSHHV-CYBMUJFWSA-N 401.825 4.806 0 40 HJAB Cc1nc(COc2ccc(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)cc2)no1 40033649 OUGZZFONCZWBPF-QGZVFWFLSA-N 415.902 4.577 0 40 HJAB Fc1ccc(OCc2noc(CN3CCC(c4nc5ccccc5s4)CC3)n2)cc1 40039724 MOXCFUCQBMEVGY-UHFFFAOYSA-N 424.501 4.777 0 40 HJAB CC(=O)Nc1ccc(NC(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)cc1 40267052 IOFGCRUWSXOQFN-UHFFFAOYSA-N 413.477 4.817 0 40 HJAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 48274484 JNJBLOKRSASLHD-UHFFFAOYSA-N 410.495 4.619 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1[C@@H](C)CC 67238962 HNZIVNRRPOYMEN-HNNXBMFYSA-N 412.559 4.606 0 40 HJAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cc(C)ccc3OC)n2)cc1 67257708 JAPRBTYDXAKCQI-UHFFFAOYSA-N 409.511 4.508 0 40 HJAB C[C@H](Nc1c(C(=O)N2CCSCC2)cnc2ccc(F)cc12)c1ccc(F)cc1 72328515 WAKRQLWNRBBBSE-AWEZNQCLSA-N 413.493 4.875 0 40 HJAB COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c1 72330411 KRJQTASYDODNQU-XXBNENTESA-N 421.566 4.535 0 40 HJAB Cc1csc(CN(C)C(=O)[C@@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)n1 95465659 CWJWWHNDQUAONR-LSDHHAIUSA-N 402.951 4.914 0 40 HJAB C[C@@H](c1ccccc1)N1C[C@@H](c2nc(-c3cccc(Br)c3)no2)CC1=O 101109152 ZPKCFCDJZONGAM-BBRMVZONSA-N 412.287 4.576 0 40 HJAB Cc1cc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 108162781 HBGOOIRYGKRXTL-DRMAHVMPSA-N 409.559 4.862 0 40 HJAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)n1 220792820 PICSJBKBZQELFM-SFHVURJKSA-N 412.493 4.688 0 40 HJAB Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222633355 AINGBCIQLFNDAV-SZFUDVHCSA-N 419.506 4.938 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 223073821 AMPNQHJEPDBMDW-UHFFFAOYSA-N 416.568 4.674 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2C)cc1 224306960 NYPXLYHBBOXMQW-UHFFFAOYSA-N 416.587 4.539 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1ccc(C)c(C)c1 224623267 BDGANHZYUOQFSO-UHFFFAOYSA-N 418.493 4.632 0 40 HJAB CC[C@@H](NC(=O)c1ccc(C)cc1I)c1ccc(OC)c(C)c1 225034157 GLOUMBNDAVLSAP-QGZVFWFLSA-N 423.294 4.798 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 225183918 HDMLNKYJIJBJOH-DEOSSOPVSA-N 424.585 4.796 0 40 HJAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)cc1 408640469 IBAOIRTZMXFSIF-QGZVFWFLSA-N 404.441 4.918 0 40 HJAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 408700981 POVLZVXFSNFUHL-UHFFFAOYSA-N 407.706 4.661 0 40 HJAB O=C(CC(F)(F)F)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585262793 GKZKUPZTOBQETN-ZDUSSCGKSA-N 422.838 4.708 0 40 HJAB Cc1ccc(O)c(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1 918002 FBRYVVCLVKYXPC-UHFFFAOYSA-N 423.416 4.890 0 40 HJAB O=C(Nc1cccc(OC(F)F)c1)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 1050557 WTXLUKZZJMONCJ-MRXNPFEDSA-N 424.709 4.750 0 40 HJAB CCOc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 1363645 HNAWOEZDQOHQDM-KRWDZBQOSA-N 411.889 4.809 0 40 HJAB COc1cc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2C)c(Cl)cc1Cl 1400988 OXCBGMNYLLIFJW-UHFFFAOYSA-N 405.285 4.760 0 40 HJAB COc1ccccc1NC(=O)Cc1nc(-c2ccc(Br)cc2)cs1 1415151 XHXVNXWFXQAKTK-UHFFFAOYSA-N 403.301 4.762 0 40 HJAB CCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccccc2)cc1OC 1735378 ZVNVPCHYXXSCLY-PGMHBOJBSA-N 416.477 4.504 0 40 HJAB O=C(c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCCCCC1 2336153 YDGCLZKKGWGGAS-XMMPIXPASA-N 408.567 4.520 0 40 HJAB Cc1ccc2nc(Nc3ncc4c(n3)C[C@H](c3ccc(F)cc3)CC4=O)nc(C)c2c1 2380869 BZHSRMOJCDCXRG-INIZCTEOSA-N 413.456 4.832 0 40 HJAB Nc1nnc(S[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)s1 3312666 MZWPALUSPRGSEK-ZDUSSCGKSA-N 411.339 4.899 0 40 HJAB COc1ccc(C2=C(c3sc(C)nc3-c3ccc(C)cc3)C(=O)OC2)cc1OC 3376214 LQAYTYMGHDEPCC-UHFFFAOYSA-N 407.491 4.912 0 40 HJAB CC1=C(C(=O)O[C@@H]2CC[C@@H](C)[C@@H](C)C2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 4066630 UVIDMRLTCLAOKX-MSNRECKUSA-N 411.329 4.989 0 40 HJAB O=C(CN1CCC(n2nnc3ccccc32)CC1)N(C1CCCCC1)C1CCCCC1 4895131 HFTDLYLFJPMYRP-UHFFFAOYSA-N 423.605 4.562 0 40 HJAB CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nnc1-c1ccc(Cl)cc1 5309493 TVZAKGCUDUBVNF-JKIFEVAISA-N 406.983 4.651 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(C)c2C)n1Cc1ccccc1 6500655 MJFQRQYRSAAXPB-UHFFFAOYSA-N 420.538 4.825 0 40 HJAB C[C@H](NC[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(F)cc1 7064419 PAZCSZIUYOMGPJ-QMHKHESXSA-N 415.455 4.922 0 40 HJAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 7955025 YKUCJEGYLAGACM-UHFFFAOYSA-N 408.445 4.789 0 40 HJAB Cc1ccc(-n2cnnc2SCC(=O)c2cc(C)n(C3CC3)c2C)cc1Cl 8133242 IAFMQIXCNXSLRD-UHFFFAOYSA-N 400.935 4.957 0 40 HJAB C[C@H](Oc1ccc2c(c1)[nH]c1ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1 8190648 URUKCCJSIHTUJP-KRWDZBQOSA-N 415.493 4.564 0 40 HJAB O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CC[C@@H]2CCCC[C@@H]2C1 8193098 HHMQHUXMTGNACB-AZUAARDMSA-N 410.583 4.904 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 8288625 LJHSWVQZMSXHEK-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Brc1ccc(-c2nn3c(-c4cc(-c5ccccc5)n[nH]4)nnc3s2)cc1 9292171 XSKFIEIAQZCTLR-UHFFFAOYSA-N 423.299 4.672 0 40 HJAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(C)cc1C 11118875 OLPWJXFZZBVPKP-UHFFFAOYSA-N 420.534 4.680 0 40 HJAB O[C@@H](CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1 11466646 BTMMPFNBIBLGOZ-NRFANRHFSA-N 405.498 4.958 0 40 HJAB Cc1cc2c(cc1Cl)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 12329843 LDSKHFAHKGVVLZ-VQTJNVASSA-N 422.352 4.686 0 40 HJAB O=C(NCc1nc(-c2ccccc2)no1)c1ccccc1OCc1ccc(Cl)cc1 12727409 ULKASAGVNLMPMQ-UHFFFAOYSA-N 419.868 4.899 0 40 HJAB COc1ccccc1[C@H](C)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 12761640 WODRIQAZWMRVQH-ZDUSSCGKSA-N 405.429 4.837 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc(Br)c2)c1 12815137 SDPRQMWLUQYZLY-UHFFFAOYSA-N 417.332 4.707 0 40 HJAB O=C(CCC(=O)c1ccc(Cl)s1)NCc1ccccc1CN1CCCCC1 12919090 YFAIZNYGMVJKIG-UHFFFAOYSA-N 404.963 4.667 0 40 HJAB Cc1ccc(-c2noc(Cn3cnc4scc(-c5ccccc5)c4c3=O)n2)cc1 12992991 ATGGTJANQWRDAZ-UHFFFAOYSA-N 400.463 4.532 0 40 HJAB CCc1cc(C(=O)c2ccc(Br)cc2)c(NC(=O)CN(CC)CC)s1 13503405 BHSRRSSPLRUDNV-UHFFFAOYSA-N 423.376 4.584 0 40 HJAB CCCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3c(C)cccc3CC)C2=O)cc1 13579536 SPCWQFDWDOQHAK-IBGZPJMESA-N 410.539 4.720 0 40 HJAB CCOc1ccc(CN(CC)C(=O)Cc2csc(-c3ccccc3)n2)cc1OC 14236208 YOSDSSUSYMBTGJ-UHFFFAOYSA-N 410.539 4.809 0 40 HJAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1ccc(Br)cc1 15358495 AFMMGAYMLJFMHN-LJQANCHMSA-N 419.319 4.967 0 40 HJAB CCc1cccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)c1 15960064 VYLXUKOIYIYXPX-UHFFFAOYSA-N 404.466 4.527 0 40 HJAB O=C(OCC(=O)c1cccc2ccccc12)c1ccc(Cn2nnc3ccccc32)cc1 18659386 CGLZKKIWPVIQJE-UHFFFAOYSA-N 421.456 4.673 0 40 HJAB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)N1CCC[C@H]2CCCC[C@@H]21 19354848 BIHLQEJWPWIFQH-CJNGLKHVSA-N 409.477 4.922 0 40 HJAB Clc1cccc(-c2nccnc2[C@@H]2CN(Cc3cccc4ncccc34)CCO2)c1 19693276 RMILECLNIVPSPL-QFIPXVFZSA-N 416.912 4.919 0 40 HJAB COc1ccc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1NC(N)=S 20156938 SZJLLZJZGPRPIE-UHFFFAOYSA-N 406.305 4.538 0 40 HJAB CCOc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4OC)nc32)cc1 21801377 DTXIXGKOGBKZEA-UHFFFAOYSA-N 413.481 4.759 0 40 HJAB COc1cccc(NC(=O)NC[C@H](c2ccsc2)N2CCCCCC2)c1OC 22679608 NOMIVTHSHCHKEC-GOSISDBHSA-N 403.548 4.504 0 40 HJAB Cc1ccc(-c2nnc(CCC(=O)n3ccc(C)c/c3=N\C3CCCCC3)o2)cc1 23199544 DXBZODPFLKEDDF-NJNXFGOHSA-N 404.514 4.661 0 40 HJAB C[C@@H]([C@@H](O)COC(=O)/C=C/c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 26897346 FTPFDUPCPIJWBQ-SRWHSLIMSA-N 415.533 4.695 0 40 HJAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 29347537 WAVOVMHNYGLMME-UHFFFAOYSA-N 407.853 4.572 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1csc(-c2ccccc2)n1 32740758 WJDWJPUSNROHBH-UHFFFAOYSA-N 415.400 4.662 0 40 HJAB O=C(c1ccc(Br)cc1F)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32768573 YKZXRLXKURGOTM-UHFFFAOYSA-N 420.278 4.902 0 40 HJAB CC(=O)c1c(C)nc(-c2ccco2)nc1SCC(=O)Nc1ccc(F)cc1Cl 32902135 ADRKDVGTDFDQNR-UHFFFAOYSA-N 419.865 4.771 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccccc3F)n2)cc1OC 33558575 KSNLRHAZGNGNET-UHFFFAOYSA-N 419.412 4.812 0 40 HJAB O=C(NCc1ccco1)[C@@H](c1ccco1)N(C(=O)c1cccs1)c1cccc(F)c1 35315068 PGLSUUAHTHIVSS-HXUWFJFHSA-N 424.453 4.778 0 40 HJAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3cnn(-c4ccc(F)cc4)c3C)c12 36392917 JGSQEZCVDNWZLX-GFCCVEGCSA-N 419.460 4.533 0 40 HJAB CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(C)c(C)c2)C1 44803758 IJHINAGCQYKTOS-LJQANCHMSA-N 418.541 4.891 0 40 HJAB CC(C)c1cccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1 51317129 ABCXQCYWXAGYAY-UHFFFAOYSA-N 404.514 4.711 0 40 HJAB C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C)c1ccc(-c2ccccc2)cc1 57383324 KQUYWZLZXOKZBO-MOPGFXCFSA-N 413.521 4.768 0 40 HJAB COc1ccc(Cl)cc1Nc1c(C(=O)N2CCSCC2)cnc2ccccc12 64471847 HPHDJRRXCUUADM-UHFFFAOYSA-N 413.930 4.829 0 40 HJAB O=c1c2ccccc2c(-c2nc(-c3ccccc3)no2)nn1-c1cccc(Cl)c1 64949844 ZKSROYVFMJHMIQ-UHFFFAOYSA-N 400.825 4.756 0 40 HJAB CC[C@H]1CCCCN1C(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 67289766 WXHYDNQNVXQKHG-IBGZPJMESA-N 408.571 4.896 0 40 HJAB CN(C)c1cccc(CNC(=O)Nc2ccccc2-c2nc3ccccc3s2)n1 95438198 REAOYORXFJLONC-UHFFFAOYSA-N 403.511 4.746 0 40 HJAB CC(C)(C)c1ccc(COc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 100390911 OWYZSHZFJJDXCL-HTUUBCJYSA-N 401.506 4.875 0 40 HJAB Cc1ccc(O)cc1N/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21 102229957 FXLBNBXFTRTDOI-DEDYPNTBSA-N 404.853 4.994 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 103001880 UATSXNGJSNRLHJ-NJDAHSKKSA-N 422.843 4.530 0 40 HJAB O=C(Nc1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1)[C@H]1CCOC1 206892827 FDFRIJSLAWPRPR-ZDUSSCGKSA-N 401.438 4.807 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 222663912 ICXVVIHZFVUXMN-IBGZPJMESA-N 412.599 4.642 0 40 HJAB CN1CCN(c2ccc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)cc2)CC1 222734511 ZRSDVTRORRPDJN-UHFFFAOYSA-N 424.397 4.617 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 224097506 KZGHUJNXQNFCLV-INIZCTEOSA-N 403.891 4.663 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 224213129 UAXNOUKVZMRTBF-QHCPKHFHSA-N 424.585 4.615 0 40 HJAB CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 224553461 OMBHKRBHBZOSLE-UHFFFAOYSA-N 424.522 4.837 0 40 HJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)ccc1Br 224919101 QOBPLMDFZRCGNH-MSOLQXFVSA-N 413.344 4.658 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 224961132 VMIJSRXPISEAAL-XMMPIXPASA-N 408.586 4.550 0 40 HJAB O=C(c1cc(Br)ccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 225071924 XRMJZIPDGIGEFO-QPJJXVBHSA-N 419.750 4.574 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 225585777 GQYZGYFGMNPPEN-ZJSXRUAMSA-N 408.586 4.876 0 40 HJAB O=C(c1ccc(NC(=S)NCCCSCc2ccco2)cc1)N1CCCCC1 225595132 USLVVUVXNXDQGQ-UHFFFAOYSA-N 417.600 4.516 0 40 HJAB COCCC(=O)N[C@]1(C)C[C@H](c2ccc(Br)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257240540 HTZUYPCOUXFBAS-BLVIHDEWSA-N 424.379 4.627 0 40 HJAB Cc1ncsc1C(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257288192 PTGVWZVRUIODEM-HNNXBMFYSA-N 401.919 4.704 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC=C[C@@H](C)[C@H]2C1=O 408670262 IKSDTCDVIXKYID-OWDMVUQNSA-N 408.885 4.602 0 40 HJAB CC(C)COC(=O)c1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1 408731387 MBEJLYRRHBOWJR-WSVATBPTSA-N 419.811 4.776 0 40 HJAB COC(=O)c1ccc(/C=C2\N=C(c3sc4cc(C)ccc4c3Cl)OC2=O)cc1 408970402 HJJMQYRNTJXPOQ-GDNBJRDFSA-N 411.866 4.994 0 40 HJAB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O 409191043 RNUWEKDXQDJSOY-RQZCQDPDSA-N 405.859 4.607 0 40 HJAB Cc1ccc(CN2CCC(Cc3cccc(-c4cccnc4)c3)(C(N)=O)CC2)cc1C 585166497 RVCZNBDSJPYKAA-UHFFFAOYSA-N 413.565 4.676 0 40 HJAB Cc1ccccc1[C@@H]1CC(=O)c2c(nc3c(cnn3-c3ccc(Cl)cc3)c2N)C1 618257340 WCQKGESQBOLFKU-AWEZNQCLSA-N 402.885 4.877 0 40 HJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1ccc(OC(F)(F)F)cc1 675008294 PDCUOAAJWJZRCC-AWEZNQCLSA-N 413.442 4.839 0 40 HJAB CSc1ccc(O)c(C(=O)Nc2ccc3ccn(Cc4ccc(CO)cc4)c3c2)c1 1649064790 CZTBIXIIUFWGJV-UHFFFAOYSA-N 418.518 4.862 0 40 HJAB COc1cccc(C(=O)N[C@@H](Cc2ccccc2)c2ccc3c(c2)OCCCO3)c1 668079 LNEDBGAPCZLNAJ-QFIPXVFZSA-N 403.478 4.570 0 40 HJAB aggregator COc1cc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc(OC)c1OC 803508 HNTJNBJASICCAF-UHFFFAOYSA-N 404.894 4.608 0 40 HJAB CC(=O)c1ccc(NC(NC(=O)c2ccccc2C)(C(F)(F)F)C(F)(F)F)cc1 1044128 WWLOIJQPHYEEDJ-UHFFFAOYSA-N 418.337 4.860 0 40 HJAB CCCC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccc(OC)cc4)n3)ccc21 1365704 IWYCLLBUNDFZQC-UHFFFAOYSA-N 421.522 4.760 0 40 HJAB COc1cc2nc(SCc3c(F)cccc3Cl)n3nc(C)nc3c2cc1OC 1396377 FVKFCUGYBAIKJW-UHFFFAOYSA-N 418.881 4.688 0 40 HJAB Cc1cccc(-c2nnn3c2nc(NCc2ccc4c(c2)OCO4)c2ccccc23)c1 2694163 KBQYIIAMKBIJBP-UHFFFAOYSA-N 409.449 4.594 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1cn(-c2ccccc2)nc1-c1cccs1 3271103 YDNJTUSKKIAQSH-UHFFFAOYSA-N 403.463 4.624 0 40 HJAB Cc1ccsc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 3398255 YWBWNIUELHLTRA-SNVBAGLBSA-N 408.451 4.642 0 40 HJAB O=C(CN1C(=O)c2cccc3cccc1c23)NCCSCc1ccc(Cl)cc1 3644818 ZXSYYUBEARUYKH-UHFFFAOYSA-N 410.926 4.503 0 40 HJAB c1cnc2nc(SCc3ccc(CSc4nc5ncccc5[nH]4)cc3)[nH]c2c1 4144071 YWQFKKQLJGDNHE-UHFFFAOYSA-N 404.524 4.814 0 40 HJAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Br)cc1)CSC2 4175968 AKUFZTMYLJLQLA-UHFFFAOYSA-N 414.328 4.942 0 40 HJAB CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC(=O)c1ccc[nH]1 4801604 DMQINRNPJVBZOU-UHFFFAOYSA-N 408.479 4.688 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 4816575 FLFQELOVRNPQNR-VXKWHMMOSA-N 404.514 4.709 0 40 HJAB CCN1CCN(c2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCC4)CC1 5888788 AGERZDLFRGINIT-UHFFFAOYSA-N 415.566 4.537 0 40 HJAB CCOc1ccc2nc(NS(=O)(=O)c3cc(Cl)ccc3Cl)sc2c1 5923563 XNDNWMGZUJPWPS-UHFFFAOYSA-N 403.312 4.803 0 40 HJAB COc1ccc(Cc2nnc(S)n2-c2ccc(Oc3ccccc3)cc2)cc1OC 6181929 ZVHXTYMROQAKLB-UHFFFAOYSA-N 419.506 4.956 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 6234993 CIWZTICKYQVPRD-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(F)c1 6323712 ZNRUFVJSXYZWSD-WSDLNYQXSA-N 402.267 4.523 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 6330330 LMWJKRTVEQKHOC-QPNXVFALSA-N 409.294 4.578 0 40 HJAB Cc1ccc2c(Cl)cc(Cl)c(OCCN3C(=O)c4ccccc4C3=O)c2n1 6510848 QQTANZVFUADAOA-UHFFFAOYSA-N 401.249 4.525 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2cc(Cl)ccc2Cl)c1 7481332 MWZBGSMTCCZDFB-QGZVFWFLSA-N 410.297 4.753 0 40 HJAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccccc1-c1nc2ccccc2s1 7987864 LKXSZOLUDPTLDA-UHFFFAOYSA-N 402.401 4.817 0 40 HJAB CC(=O)N(c1ccccc1)c1nc(COC(=O)CCOc2ccc(C)cc2)cs1 8008385 DVHIRIFFJDXIMZ-UHFFFAOYSA-N 410.495 4.648 0 40 HJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 8041769 KCMCURSWJIATDI-HXUWFJFHSA-N 416.521 4.682 0 40 HJAB Cc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccc(C(=O)O)cc2)cc1 8719956 OOBBJWQLWBPRGG-KRWDZBQOSA-N 413.477 4.582 0 40 HJAB O=C1OCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 8861710 FOJWSOLJQDZBSY-MRXNPFEDSA-N 420.321 4.708 0 40 HJAB O=S(=O)(Nc1nc2ccc(Br)cc2s1)c1ccc(Cl)cc1 8864656 CVNNQZCNWZTEBR-UHFFFAOYSA-N 403.710 4.513 0 40 HJAB COc1ccc(C)cc1NC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)o1 11427529 NTNQRZGYJPBTEI-UHFFFAOYSA-N 405.376 4.644 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)NCC(c1ccccc1)c1ccccc1)c1ccccc1 12530290 NBNAQIKCJBYXIM-DEOSSOPVSA-N 410.521 4.641 0 40 HJAB CCN(CC)c1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 12555455 VGZSBIPMEAIHGZ-MCADVSAISA-N 423.601 4.679 0 40 HJAB Cc1ccccc1[C@H](C)NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 12755119 CQUMPHMGSCURBZ-IBGZPJMESA-N 400.522 4.878 0 40 HJAB O=c1c2c(-c3ccccc3)csc2ncn1Cc1nc(-c2ccc(Cl)cc2)no1 12784123 VSYFKXCRZKPDJI-UHFFFAOYSA-N 420.881 4.877 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1C 13512046 MBJFVPCOAQXTIA-UHFFFAOYSA-N 422.510 4.835 0 40 HJAB Brc1ccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 13655601 DIKZSFDHXFWVRN-UHFFFAOYSA-N 408.284 4.831 0 40 HJAB CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 14664070 DRTAQUFFYXTZNF-UHFFFAOYSA-N 402.494 4.699 0 40 HJAB COC(=O)c1ccccc1Nc1c(-c2ccc(O)c(OC)c2)nc2ccc(Cl)cn12 15414393 ZZKOFECUUXMBEP-UHFFFAOYSA-N 423.856 4.899 0 40 HJAB Cc1cccc(NC(=O)CSCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1 15477466 DJEABWSBYYGEAQ-UHFFFAOYSA-N 411.354 4.632 0 40 HJAB COc1ccc(-c2cn3c(CCC(=O)Nc4cc(C)ccc4OC)csc3n2)cc1 16848853 XATCJNDCZMJNGV-UHFFFAOYSA-N 421.522 4.960 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2)c1 17082443 DSSVOJUKJYOVPV-UHFFFAOYSA-N 402.479 4.633 0 40 HJAB COc1ccc(Cl)cc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1OC 17091987 KDBMFNXJIVMFGH-UHFFFAOYSA-N 419.717 4.791 0 40 HJAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1sc(-c2cccs2)nc1C 17367997 XXLKGQWTAXSTLU-UHFFFAOYSA-N 402.541 4.860 0 40 HJAB COc1ccccc1CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccsc1)CN2C(=O)C(C)(C)C 19081657 PNQNEJAJRVDSLD-NJDAHSKKSA-N 412.599 4.619 0 40 HJAB Cc1ccc(CN(Cc2ccnn2[C@H]2CCCCO2)C2CC(C)(C)NC(C)(C)C2)o1 19216532 UPYOZRZVXYFZPF-JOCHJYFZSA-N 414.594 4.795 0 40 HJAB Cc1cccc2c(-c3ccncc3)c([C@H]3CCCN(C(=O)CCn4ccnc4)C3)[nH]c12 19236526 JQEYHQDRPGRYMG-FQEVSTJZSA-N 413.525 4.531 0 40 HJAB CCCC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2F)(C(=O)NC(C)C)C1 19501066 FJGXOFZFVXLOAP-VWLOTQADSA-N 410.533 4.579 0 40 HJAB CCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4csc(C)c4)CC3)cc2n1 19522460 UTFBHUQAVGTULK-UHFFFAOYSA-N 422.476 4.700 0 40 HJAB O=C(Nc1ccc(F)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20456403 RKIJBSDZYYEBOW-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)c2cccnc12)c1nccs1 31653423 AKSPTIOMFBVPHX-UHFFFAOYSA-N 415.927 4.740 0 40 HJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(Br)cc1 32127733 ODWVEACWUCNNLR-UHFFFAOYSA-N 415.243 4.555 0 40 HJAB O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 32475353 NBIYSJFNGSFRJN-KNQAVFIVSA-N 422.912 4.691 0 40 HJAB COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)n2)cc1 32578636 YKLQPBYYJMFPET-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB COc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2cc(C)no2)cc1F 32810629 LIGAQOOQVQBHPE-CQSZACIVSA-N 400.475 4.914 0 40 HJAB CCc1ccc2[nH]c(CSCC(=O)Nc3ccc(OC)c(Cl)c3)cc(=O)c2c1 33064281 KBYAEXJMSZSYJZ-UHFFFAOYSA-N 416.930 4.624 0 40 HJAB COc1ccc(OC)c(NC(=O)c2sc3nc4cc(C)c(C)cc4cc3c2N)c1 35312061 IMWNFHSHESFSSJ-UHFFFAOYSA-N 407.495 4.918 0 40 HJAB Cc1ccc2nc(C(F)(F)F)n(CC(=O)NCC(C)(C)c3cccc(F)c3)c2c1 35322690 BKPSYOOPNNJARP-UHFFFAOYSA-N 407.411 4.597 0 40 HJAB O=C1N[C@@H](N2CCCC2)C(F)=CN1c1nc(-c2ccccc2)oc1-c1ccccc1 35681921 NQSHCISRCCHTPL-FQEVSTJZSA-N 404.445 4.771 0 40 HJAB Cc1ccc(-c2cc(C(=O)O)c3c(=O)[nH]c(=S)n(-c4cccc(C)c4C)c3n2)cc1 36617283 ATJNZQHOOJCKKO-UHFFFAOYSA-N 417.490 4.734 0 40 HJAB COc1cc(C)c(NC(=O)CCSc2ccccc2Br)cc1OC 40106461 KTHOANXYWJAYLI-UHFFFAOYSA-N 410.333 4.896 0 40 HJAB C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(NC(N)=O)cc1 58478411 JXDUKJUECOFXGV-MRXNPFEDSA-N 410.477 4.883 0 40 HJAB C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)Cn1ccc(C(F)(F)F)n1)C1CC1 58700970 YJEVLILKIGYBLX-LLVKDONJSA-N 405.342 4.673 0 40 HJAB CCCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(F)cc21 67340622 GBINPYKEQUQDFO-UHFFFAOYSA-N 411.857 4.566 0 40 HJAB O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 72341438 RRXVUHBFJQNFRY-CTNGQTDRSA-N 409.530 4.666 0 40 HJAB CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(CCCc3ccccc3)C2)c1 72358901 OYBCWZVGABOIDO-HSZRJFAPSA-N 414.553 4.914 0 40 HJAB COc1cccc(C(=O)N2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)c1 72374825 DMDHBJCZIGMUAD-HXUWFJFHSA-N 416.525 4.865 0 40 HJAB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCCc1csc(-c2ccccc2)n1 95409571 ZUWUPOBYAJZEJG-CYBMUJFWSA-N 404.894 4.729 0 40 HJAB CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)NCc1nc2ccccc2[nH]1 96116961 WIIRGMSVTZRPOR-OAHLLOKOSA-N 418.324 4.698 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 222539252 BWTQXSGOZOJECM-JOCHJYFZSA-N 414.977 4.831 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCSc1ccc(Cl)cc1 222630133 PZRUOFUFFGOBOD-OAHLLOKOSA-N 422.953 4.515 0 40 HJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC)c(OC)c3)N21 222657282 GQYGGFCBSOBVGD-DOPJRALCSA-N 403.935 4.732 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222979907 LRURYUMARFJVOZ-HUUCEWRRSA-N 402.332 4.973 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCC1 224671754 XYSMEOZICWBYNM-SFHVURJKSA-N 412.961 4.667 0 40 HJAB CC[C@@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(OC)c(OC)c1 225718106 IITAKFRHFGHZPV-OAHLLOKOSA-N 409.349 4.904 0 40 HJAB C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)[C@H](O)C[C@]1(C)[C@@H](C)CCC(=O)[C@H]1C 253389701 XFTFIFNAWKMLKL-ZBUTTZFRSA-N 422.949 4.753 0 40 HJAB biogenic,in-vitro O=C(N1C[C@H]2CC[C@H](Cc3cccc(F)c3)[C@H]2C1)C1(c2ccccc2)CCOCC1 257206650 BEJQLSVKGAWYTL-PQNGQFLHSA-N 407.529 4.601 0 40 HJAB Cc1ccc([C@@H](CCC(=O)O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 408604012 CRCFCEWIGOGMGB-HSZRJFAPSA-N 422.569 4.656 0 40 HJAB O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc2c(c1)OCCO2 408625816 FUAJIZQJONFBEM-UHFFFAOYSA-N 402.475 4.665 0 40 HJAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)cc1 408648998 WYXYTPKNTVDKDD-FQEVSTJZSA-N 400.478 4.775 0 40 HJAB Cc1ccc(C)c(N(CCCC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)c1 408705966 RNAWCPWGYVLMPZ-UHFFFAOYSA-N 416.587 4.920 0 40 HJAB Cc1cccc([C@H](C)C(=O)N[C@H]2CC[C@H](NC(=O)[C@H](C)c3cccc(C)c3)CC2)c1 532813907 MJLSQQHYKHKXDW-NNYJTDNRSA-N 406.570 4.754 0 40 HJAB Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@@]2(CCN2c2ncnc3ccccc23)C1 585102351 XWWLXTHGPWBEMG-RUZDIDTESA-N 418.541 4.714 0 40 HJAB COC(=O)C[C@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)c1cccc(Cl)c1 1603217699 YMSLEDMBCROQLE-INIZCTEOSA-N 424.806 4.874 0 40 HJAB O=C(NC1CCC(C2CCC2)CC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 1629812988 KIMYKMXVPAYQKY-UHFFFAOYSA-N 412.555 4.576 0 40 HJAB O=C(Cc1ccc2ccccc2c1)Nc1ccc(C(=O)NC2CCCCC2)c(O)c1 1638730611 OTVMMLYBGPQYDU-UHFFFAOYSA-N 402.494 4.789 0 40 HJAB Cc1ccccc1C(NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1C 1661312116 ITVSXWFKDVKZPJ-UHFFFAOYSA-N 423.534 4.533 0 40 HJAB COc1cccc(C2(CNC(=O)N3CCCC[C@H]3c3ccc(F)cc3F)CC2)c1 1683006497 ODIFJMQEHHRLHD-NRFANRHFSA-N 400.469 4.942 0 40 HJAB COC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2cccc(C)c2)c1C 676514 KVPINASSWAXYPX-UHFFFAOYSA-N 414.508 4.718 0 40 HJAB CCOc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc(Cl)c1OC(C)=O 726032 UOIYCVSDYDMICP-PXNMLYILSA-N 420.248 4.662 0 40 HJAB COc1ccc([C@@H](O)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 2398504 QJBBTJIQQBXLJL-RBISFHTESA-N 403.459 4.705 0 40 HJAB O=C(CSCC(=O)Nc1ccc2ccccc2c1)NCCSCc1ccccc1 3163481 KJRLGKUVUWWKQT-UHFFFAOYSA-N 424.591 4.561 0 40 HJAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 3447394 UMNGZSKOBTVIJI-UHFFFAOYSA-N 410.482 4.954 0 40 HJAB C[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3465826 CLSHXBDJLJLJMM-INIZCTEOSA-N 417.494 4.574 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)N3c4ccccc4C[C@H]3C)s2)cc1C 3530062 IHPNNKOJSDSGCG-OAHLLOKOSA-N 410.568 4.968 0 40 HJAB O=C(COc1ccccc1)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1 4167080 OIYYFOMRFGBKNM-UHFFFAOYSA-N 406.429 4.567 0 40 HJAB CC(C)(C)N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CC1=O 4386043 YTFMORJSUYRWDM-INIZCTEOSA-N 411.933 4.883 0 40 HJAB O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1F)C1c3ccccc3C2(Cl)c2ccccc21 4656508 OYTYYCZEJMCWLT-ISQHLFTMSA-N 403.840 4.573 0 40 HJAB CCOC(=O)[C@@H]1CCN(C(=O)c2ccccc2)c2scc(-c3ccccc3)c2C1=O 5065022 VGKQZTCHEWERLO-GOSISDBHSA-N 419.502 4.828 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N1CCc2ccccc2C1 5242975 VWPBROQXPNZKBS-UHFFFAOYSA-N 411.530 4.974 0 40 HJAB COc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc(C(C)=O)cc3)sc2c1 5265117 UMMZMSLVUNFUSE-UHFFFAOYSA-N 417.490 4.750 0 40 HJAB O=C(COc1ccc(C2SCCS2)cc1)Nc1cccc(Br)c1 5584275 MSXJMYJZLHYCOY-UHFFFAOYSA-N 410.358 4.945 0 40 HJAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1nc2ccccc2c(=O)[nH]1 5857807 TYMMEIJYNWXLSI-AWEZNQCLSA-N 419.554 4.869 0 40 HJAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccc(F)cc1F 6551803 RUPFUANIXBVGES-UHFFFAOYSA-N 408.360 4.569 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)c2ccc(F)cc2)nc2ccccc2c1=O 7758265 MGMNDTFUPQYEPE-UHFFFAOYSA-N 404.466 4.808 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 7882253 OBBJFFDCCVVUPL-HXUWFJFHSA-N 422.525 4.642 0 40 HJAB COc1cc2c(cc1OC)CN(C(=O)COc1ccc3oc4ccccc4c3c1)CC2 8099450 NBKDIOFKLYUDGS-UHFFFAOYSA-N 417.461 4.567 0 40 HJAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc21 8959395 NPANYZQBPXCYQA-UHFFFAOYSA-N 400.478 4.987 0 40 HJAB Cc1nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c(=O)c1Cc1ccccc1Cl 9288022 DPSCIRUZJZTNLY-UHFFFAOYSA-N 405.889 4.626 0 40 HJAB COc1ccc2c(CC(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)coc2c1 9377233 BQSNVWQVDMPQQF-OAQYLSRUSA-N 412.917 4.591 0 40 HJAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)C(=O)c1ccc2ncsc2c1 9387832 JJVMRCSHNPWLPU-SFHVURJKSA-N 402.903 4.716 0 40 HJAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1cccc(C(F)(F)F)c1 9627705 NGASDBWHPACTRI-UHFFFAOYSA-N 405.401 4.595 0 40 HJAB CCCCn1nc(C(=O)Nc2ccc3nc(SC)sc3c2)c2ccccc2c1=O 9665507 LKWGJRKXTPIDPQ-UHFFFAOYSA-N 424.551 4.781 0 40 HJAB CCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 9698678 BGKKYPJSEJDDLK-UHFFFAOYSA-N 415.493 4.526 0 40 HJAB O=C(c1ccccc1)C1CCN(C(=O)/C=C/c2cc(Br)ccc2F)CC1 9987441 IWYCPCOJIVEVFJ-RMKNXTFCSA-N 416.290 4.723 0 40 HJAB O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1c(Cl)cccc1C(F)(F)F 11499811 ATTMQMDZKQIMPQ-UHFFFAOYSA-N 418.872 4.940 0 40 HJAB O=C(Cn1nc(-c2ccccc2)oc1=O)Nc1ccc(Oc2ccccc2Cl)cc1 11512835 PPHZTDAAPNFFJT-UHFFFAOYSA-N 421.840 4.588 0 40 HJAB CCOc1ccc(-n2c(SCCC(N)=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 12634767 IHKYRXJXDFPBSN-UHFFFAOYSA-N 424.570 4.598 0 40 HJAB Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1cccnc1 12761169 JZHXQFVWDWVQJK-QGZVFWFLSA-N 415.522 4.757 0 40 HJAB COc1ccc(C)cc1[C@@H](C)NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 12792826 ZZGIRKPWNGEVGQ-QGZVFWFLSA-N 410.514 4.725 0 40 HJAB Cc1cnc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)cn1 12811196 VAMKCKBAPFMILR-UHFFFAOYSA-N 400.507 4.798 0 40 HJAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)o1 13586092 BZCDULRPPXZZDW-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB O=C1C[C@@H](c2ccco2)Cc2nc3nc(SCc4ccccc4Cl)nn3cc21 13634339 ZGIHUSATOREKHM-ZDUSSCGKSA-N 410.886 4.576 0 40 HJAB CCOc1ccc([C@H](CNC(=O)c2ccco2)c2c[nH]c3ccccc23)cc1OC 15670779 MLXJIFHITMIZBZ-SFHVURJKSA-N 404.466 4.730 0 40 HJAB O=C(c1cc(Cl)sc1Cl)N1CCN(c2nc3ccc(F)cc3s2)CC1 15882399 IFDLWRCTUBYERH-UHFFFAOYSA-N 416.330 4.766 0 40 HJAB O=S(=O)(c1ccccc1)c1cnc2ccc(F)cc2c1Nc1ccc2c(c1)OCO2 17043366 GOGCRODPYBIEIA-UHFFFAOYSA-N 422.437 4.679 0 40 HJAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1nc2c(C)ccc(C)c2s1 17083294 BGKKVXDXFHRZPJ-UHFFFAOYSA-N 405.932 4.702 0 40 HJAB Cc1c(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)[nH]c2ccccc12 19565878 BNBLIEMLNLESJT-DEOSSOPVSA-N 418.585 4.987 0 40 HJAB O=C(NCCCc1ccccc1Cl)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCO1 19740050 PMCBKRONFRKCDE-DEOSSOPVSA-N 424.928 4.836 0 40 HJAB COc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4ccc(C)cc4)nc3C2)c(OC)c1 20101533 WNDRLZAEFXQXOP-MRXNPFEDSA-N 403.482 4.767 0 40 HJAB COc1ccc(Br)cc1C(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20141233 YBOPWRFTDLZVJU-UHFFFAOYSA-N 419.058 4.715 0 40 HJAB c1ccc(C(c2ccccc2)N2CCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 22786981 HMVOJNPBKBGMHB-UHFFFAOYSA-N 416.550 4.705 0 40 HJAB C[C@@H](C(=O)NC1CCCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22935900 SDIMBWRNDARQOQ-QFIPXVFZSA-N 419.613 4.621 0 40 HJAB C[C@@H](Sc1nc2ccsc2c(=O)n1-c1ccccc1)c1nc(C(C)(C)C)no1 24770463 KFEKCXNWYCQPGV-GFCCVEGCSA-N 412.540 4.981 0 40 HJAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCC(c2nc3ccccc3s2)CC1 24813235 VWIBRQZDWVVDLL-CYBMUJFWSA-N 400.935 4.551 0 40 HJAB O=C(COc1ccccc1C1SCCS1)Nc1nnc(-c2ccccc2)s1 25449454 ZEJNLWJKJUHOBF-UHFFFAOYSA-N 415.565 4.701 0 40 HJAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(NC(=O)C2CC2)cc1 27292350 JFLZADRUCFJNMR-INIZCTEOSA-N 403.482 4.500 0 40 HJAB Cc1cc2oc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)cc(=O)c2cc1C 28289542 XZVZODRHAJZTQU-HXUWFJFHSA-N 424.928 4.630 0 40 HJAB COc1ccc(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 28579239 KXFUGFRCWLRXNE-UHFFFAOYSA-N 405.878 4.883 0 40 HJAB Cc1nc2cc(F)ccc2cc1C(=O)OCC(=O)N1CC[C@H](C)Sc2ccccc21 29557896 AAWQLEVJTABWSZ-AWEZNQCLSA-N 424.497 4.757 0 40 HJAB CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)Cn2ncc3ccccc3c2=O)cc1 32907329 DIBKFKDNYZFAHA-FQEVSTJZSA-N 408.542 4.550 0 40 HJAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nc(C(C)C)n[nH]1 32957575 FVVGDEWAIIVVFZ-UHFFFAOYSA-N 400.548 4.648 0 40 HJAB CCOc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 33012573 UQHBGLCIZRLFHN-UHFFFAOYSA-N 415.449 4.820 0 40 HJAB COc1ccc(Cc2nc3ccccc3n2C[C@@H](O)COc2cc(C)cc(C)c2)cc1 33025754 PDGGWSLKNGQIDS-OAQYLSRUSA-N 416.521 4.692 0 40 HJAB Cc1ncc(NC(=O)COc2ccc(Cl)cc2)n1-c1nc(-c2ccccc2)cs1 35682922 ZMTCCXJLXUPACT-UHFFFAOYSA-N 424.913 4.975 0 40 HJAB CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 39767865 LPGREHVJWPBYCV-UHFFFAOYSA-N 418.896 4.507 0 40 HJAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)CCOc1ccc(Cl)cc1 40024415 JBYDOSULBXEMBL-UHFFFAOYSA-N 408.951 4.846 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(C)ccc1OCC(F)(F)F 40047200 YJZRLSGSKDDCQN-LJQANCHMSA-N 418.415 4.839 0 40 HJAB Cc1c(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)oc2c1C(=O)CCC2 40129435 QFFDQBWLWAPIJQ-INIZCTEOSA-N 416.477 4.850 0 40 HJAB O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(/C=C/C=C/c3ccccc3)c12 40388530 QDPPAJFNAGCONG-JBZDOKMESA-N 406.489 4.607 0 40 HJAB O=C(Nc1ccccc1)c1cn(Cc2ccc(NC(=O)c3ccccc3F)cc2)cn1 49422247 NIGKCUUXWPHHMK-UHFFFAOYSA-N 414.440 4.575 0 40 HJAB O=C(CN1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1)Nc1nccs1 72357704 YHYQQHVNBDDAJF-LJQANCHMSA-N 412.946 4.558 0 40 HJAB Cc1ccn(-c2ccccc2NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)n1 84248029 XCTVEWBVBHRDMM-UHFFFAOYSA-N 410.477 4.710 0 40 HJAB CC1(C)CC(=O)c2sc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)nc2C1 84673766 JZIPWNFTUFNGNX-UHFFFAOYSA-N 401.875 4.859 0 40 HJAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2cccs2)cc1 85878841 CAWKBSGIRPOJTR-AWEZNQCLSA-N 420.442 4.677 0 40 HJAB biogenic COc1ccc(-c2ccc3c(-c4ncc(C(=O)N5CCCC5)s4)noc3c2)cc1 96154646 WVLMJQAGUMPVBD-UHFFFAOYSA-N 405.479 4.863 0 40 HJAB C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 102207125 SQRUYJZUZUJURP-DWRORGKVSA-N 422.554 4.560 0 40 HJAB CCn1c(-c2c(C)oc3ccccc23)cs/c1=N\S(=O)(=O)c1cccs1 102275373 HOSDICWMGHHNOR-HNENSFHCSA-N 404.538 4.642 0 40 HJAB C[C@@H](NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)[C@@H]1C[C@H]2CC[C@H]1C2 102636466 DVINDJUGXNNONL-RFGFWPKPSA-N 418.419 4.563 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 136533890 FTTDWVCYHGBMDR-IYBDPMFKSA-N 416.399 4.637 0 40 HJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 216392909 FLGXOQUOQDFVRZ-IBGZPJMESA-N 416.521 4.628 0 40 HJAB COc1ccc(OC[C@H](C)NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 222723725 CLHUKSNEAVGTDI-ZDUSSCGKSA-N 414.354 4.819 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 223134492 LWZQKPPADVKWTD-OAQYLSRUSA-N 412.599 4.642 0 40 HJAB Cc1cc(C)c([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1C 223436065 XTBRNRHBJXHRJP-LJQANCHMSA-N 422.550 4.904 0 40 HJAB O=C(NCCOCc1ccccc1)c1ccc(CN2CCCc3ccccc32)cc1 224329523 VPZNRMSGXXNYCG-UHFFFAOYSA-N 400.522 4.586 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CSc1ccccc1 224555607 BWORPIUXPYCZLS-JOCHJYFZSA-N 412.599 4.667 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C 224628974 IPULVZOVQALAHT-HSZRJFAPSA-N 424.585 4.570 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C)c(N2CCCC2=O)c1 225576680 ZBJZHKHSSKCMDD-QHCPKHFHSA-N 406.526 4.797 0 40 HJAB C[C@@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NC3CCCC3)n2)C1 226006077 NXNKTMXEAFIJIJ-MRXNPFEDSA-N 411.575 4.734 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(C)c2)cc1 408699988 YBEZRGSMKCDLSM-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1c2cccc3cccc(c23)S1(=O)=O 409383877 NAGHCXNTFAJDGT-HNNXBMFYSA-N 402.475 4.529 0 40 HJAB O=C(Nc1cccc(CSC2CCCC2)c1)c1ccc(=O)n(Cc2ccccc2)n1 610122846 PJMORHSQLTUUCY-UHFFFAOYSA-N 419.550 4.720 0 40 HJAB Cc1ccc(-c2noc(CC3CCN(C(=O)Nc4cc(F)ccc4F)CC3)n2)cc1 1888979416 KDBCKECIHNRXSY-UHFFFAOYSA-N 412.440 4.810 0 40 HJAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1C 907663 AGCHIRZMIBDBEQ-UHFFFAOYSA-N 409.559 4.566 0 40 HJAB Cc1ccc(C(C)C)cc1CN1C(=O)[C@](O)(CC(=O)c2ccccn2)c2ccccc21 1320453 ZEVPIKISCTUCBF-SANMLTNESA-N 414.505 4.521 0 40 HJAB C[C@@H]1CCCN(C(=O)CSc2nc(C3CC3)nc3sc4c(c23)CCCC4)C1 1332765 DUJSSRUJGYJQJK-CYBMUJFWSA-N 401.601 4.798 0 40 HJAB O=c1c2oc3nc4c(cc3c2ncn1Cc1ccc(Cl)cc1Cl)CCCC4 2214295 CLRKRKZHWCRRMR-UHFFFAOYSA-N 400.265 4.772 0 40 HJAB Cc1nnc(NC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)s1 2638741 UUSNZROKEDHBOC-UHFFFAOYSA-N 413.553 4.872 0 40 HJAB Cc1nn([C@@H](C)c2nnc(Nc3ccn(Cc4ccccc4)n3)s2)c(C)c1Cl 2731549 CVRQBCNTYKEJGQ-AWEZNQCLSA-N 413.938 4.603 0 40 HJAB COc1cccc(Nc2nnc(SCC(=O)N(c3ccccc3)C(C)C)s2)c1 3268215 UOYAJELTHSIYDT-UHFFFAOYSA-N 414.556 4.824 0 40 HJAB CC(C)(C)n1nc2c(c1NC(=O)C1(c3ccc(Cl)cc3)CCCC1)C[S@](=O)C2 4106295 DSTGSCOKZFLQGE-MUUNZHRXSA-N 419.978 4.504 0 40 HJAB Cc1cccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(C)c(C)c3)s2)c1 4392383 OLJWFQHWAQARHB-UHFFFAOYSA-N 400.569 4.565 0 40 HJAB O=C(CSc1nnc(C2CCCCC2)n1-n1cccc1)Nc1cccc(Cl)c1 4518657 RKIREVMLMSEJGJ-UHFFFAOYSA-N 415.950 4.823 0 40 HJAB CCSc1nnc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)s1 4619217 QDBSJVVUIMLICV-UHFFFAOYSA-N 419.601 4.753 0 40 HJAB COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 4638665 BQUYVTSRZJNFJW-MGPQQGTHSA-N 421.559 4.515 0 40 HJAB CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@H]1c1ccc(OC)cc1 4816999 BLEBZGPLOOWERG-SFTDATJTSA-N 420.513 4.553 0 40 HJAB COc1ccccc1C1(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)CCCC1 4908350 NMJDNZPFGWEUEW-UHFFFAOYSA-N 417.431 4.649 0 40 HJAB COc1ccc(OC)c(NC(=O)c2sc3nc4cc5c(cc4cc3c2N)CCC5)c1 4929894 HBMLPIZMWRBCEA-UHFFFAOYSA-N 419.506 4.790 0 40 HJAB CCOc1ccc2nc(N3CCN(C(=O)c4cccc5ccccc45)CC3)sc2c1 5181199 WREYGXUDLSJZDV-UHFFFAOYSA-N 417.534 4.811 0 40 HJAB O=C(CSc1ccccc1C(=O)NCc1ccco1)NC1CCCCCCC1 6077552 OBXNXHPHMDUFML-UHFFFAOYSA-N 400.544 4.531 0 40 HJAB Cc1c(F)cccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 6418119 GHXJADMFUPEWQL-JXFKEZNVSA-N 416.493 4.571 0 40 HJAB Cc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)cc2)CC2CCCCC2)cc1 6584687 KKDWGDQSJICKRO-UHFFFAOYSA-N 407.558 4.763 0 40 HJAB CCOc1cc(C=O)ccc1OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 6606161 KOMHRUZWICQRQS-UHFFFAOYSA-N 402.661 4.876 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)cc1 7652738 CEOFYZDSCXVHIR-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB O=S(=O)(N[C@@H]1CCSc2ccccc21)c1ccc(Cl)cc1C(F)(F)F 7990493 CAXDCMRKPKZUIG-CYBMUJFWSA-N 407.866 4.874 0 40 HJAB O=C(Cc1c(F)cccc1Cl)NCCCCCc1nc(-c2cccs2)no1 8013473 RWGZILFQWHEVAB-UHFFFAOYSA-N 407.898 4.662 0 40 HJAB CCOc1ccc(CN(C)C(=O)CN2CCC(c3nc4ccccc4s3)CC2)cc1 8201818 NCMSNUWISONKEO-UHFFFAOYSA-N 423.582 4.533 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)Nc2ccc(N3CCCCC3)cc2)no1 8232106 SKOBAXBGMXCJNR-UHFFFAOYSA-N 408.527 4.913 0 40 HJAB Cc1cc(C)c(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(Cl)c1 8310562 JVDUGDMXRCQRDC-IBGZPJMESA-N 414.933 4.894 0 40 HJAB Cc1cccn2cc(CSc3nnc(-c4ccccc4)n3Cc3ccco3)nc12 8724066 RTBKDKAQFSDWJZ-UHFFFAOYSA-N 401.495 4.835 0 40 HJAB COc1ccc(OCC(=O)Oc2cc(-c3ccc(C)cc3)c3oc(=O)sc3c2)cc1 9408848 GWQSSJUQHJYNDU-UHFFFAOYSA-N 422.458 4.823 0 40 HJAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\N=C(c3ccccc3)OC2=O)cc1 9636896 KRWZZYCZIPMGQL-KQWNVCNZSA-N 421.456 4.892 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)COCC(=O)Nc3ccc(F)cc3)ccc21 9667280 HKVIZVSNSCYGPZ-UHFFFAOYSA-N 419.456 4.547 0 40 HJAB C[C@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 9910150 OMDROCZAQPXTJL-FDDCHVKYSA-N 414.505 4.900 0 40 HJAB C[C@@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)N1CCCc2ccccc21 10775563 GIIAWQRBOLFGCU-MRXNPFEDSA-N 424.595 4.653 0 40 HJAB O=c1cc(-c2ccc(F)cc2)nc(SCc2nc(-c3cccc(Cl)c3)no2)[nH]1 12415006 BQNZUDZCOASTFK-UHFFFAOYSA-N 414.849 4.572 0 40 HJAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C/C(=O)N1C[C@H](C)O[C@@H](C)C1 12457463 JPHVKPVLZGWSJU-CFYKVZDHSA-N 422.356 4.504 0 40 HJAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 12545632 QJAITCOKMLCKNG-QFIPXVFZSA-N 401.466 4.800 0 40 HJAB O=C(COc1cccc(Oc2ccccn2)c1)Nc1ccccc1OC(F)(F)F 12782468 ZDNQXCKMHJNLKQ-UHFFFAOYSA-N 404.344 4.790 0 40 HJAB CCN(C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1nc2ccccc2s1 12798134 RPIBYKDPOIBLPD-OUKQBFOZSA-N 419.550 4.601 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2Cl)c(OC)c1 12947499 PZLIFYCGLPBPRW-KRWDZBQOSA-N 410.297 4.753 0 40 HJAB Cc1ccc(NC(=O)[C@H](Sc2nnnn2Cc2ccccc2)c2ccccc2)cc1 14128848 IZZZPUNYPHXPAV-OAQYLSRUSA-N 415.522 4.502 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)ccc2C)cc1 14154331 PRCQONNHNYXEPJ-GOSISDBHSA-N 408.523 4.595 0 40 HJAB Cc1ccc(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)c(C)c1 15882900 AJIHLAFPJWRBHM-UHFFFAOYSA-N 411.299 4.528 0 40 HJAB CN1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 15971817 OTUKDDLHXSNQFC-CGYQNGNCSA-N 422.937 4.777 0 40 HJAB Fc1ccccc1-c1c(-c2nnnn2-c2ccccc2)cnn1-c1cccc(Cl)c1 16523960 SHIBFLNKSJQUBG-UHFFFAOYSA-N 416.847 4.975 0 40 HJAB O=C(COc1ccc(Br)cc1Cl)Nc1nnc(-c2ccccc2)s1 18703395 MGEDFDSVXNPUAY-UHFFFAOYSA-N 424.707 4.639 0 40 HJAB CCn1c(SCc2nnc(-c3cccc(OC)c3)o2)nnc1-c1cccc(C)c1 19927645 BZEUIMZDODBVMC-UHFFFAOYSA-N 407.499 4.624 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c(C)c1 20044677 QYWGGAVFKRWIGT-SFHVURJKSA-N 408.523 4.595 0 40 HJAB O=C(O)c1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)cc1Cl 20143149 QNDRLXJPLMNQFK-UHFFFAOYSA-N 400.086 4.639 0 40 HJAB Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2cccc(C)c2)C4)c1 20795950 NHLJAJIKANWTJX-IBGZPJMESA-N 414.534 4.946 0 40 HJAB COc1ccc(NC(=O)c2cccnc2Nc2ccc(OC(F)(F)F)cc2)cc1 22072076 DEMLTGKPZQDQPQ-UHFFFAOYSA-N 403.360 4.985 0 40 HJAB CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccccc2F)cc1OCC 22072826 QZAQNAHAYXXWGK-UHFFFAOYSA-N 423.488 4.925 0 40 HJAB C[C@H](SC(=S)N1CCCC1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 22159987 BURHLODVOIJISA-LBPRGKRZSA-N 401.582 4.827 0 40 HJAB Cc1sc2nc(SCC(=O)c3ccc(Br)cc3)nc(N)c2c1C 24834004 SQVVUYUFDOJUHC-UHFFFAOYSA-N 408.346 4.628 0 40 HJAB CCCCc1ccc(NC(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)cc1 27632020 OTHQBCHLNSJCEK-UHFFFAOYSA-N 400.935 4.869 0 40 HJAB CC(C)Oc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)cc2Cl)cc1 27663364 MKIZWESDMKBBEG-UHFFFAOYSA-N 422.268 4.848 0 40 HJAB Cc1ccccc1OCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 27663910 NLCLWMIOHXSCFI-NRFANRHFSA-N 400.950 4.761 0 40 HJAB CC(=O)c1c(C)cc(C)c(CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)c1C 28186411 DTSXHHOXEALWJK-AREMUKBSSA-N 414.505 4.935 0 40 HJAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 31073897 CLCBMICGOVYKKI-UHFFFAOYSA-N 415.559 4.822 0 40 HJAB COc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccc(C)cc2)n1 33325070 CFFLOAWVWNFWAD-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB COc1ccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)c(OC)c1 35078078 UKKHEYNTLUBNCX-UHFFFAOYSA-N 418.424 4.584 0 40 HJAB O=c1c(CN(CCCn2ccnc2)Cc2ccccc2Cl)coc2ccccc12 43277785 UFPFKQDCSFWRCB-UHFFFAOYSA-N 407.901 4.735 0 40 HJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCSCc3ccccc3F)cc2)C1 44909134 NISZUEVEARGAEG-GOSISDBHSA-N 400.563 4.721 0 40 HJAB COc1cccc(Cn2nc(C)c(CNCCc3ccc(Cl)cc3)c2Cl)c1 48235462 YVKBLEMMMJKTDF-UHFFFAOYSA-N 404.341 4.888 0 40 HJAB CC(C)CCn1c(SCC(=O)Nc2cccc(Cl)c2)nc2ccccc2c1=O 57472495 NFXFCAFTPGBOJG-UHFFFAOYSA-N 415.946 4.827 0 40 HJAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc1OC 67297360 CYRQXRILMSKSMB-LCUIJRPUSA-N 400.434 4.935 0 40 HJAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(c3ncc[nH]3)CC2)cc1Cl 72289472 MDGBKVWKPVKBQN-OAQYLSRUSA-N 408.933 4.931 0 40 HJAB O=C(CN1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1)Nc1nccs1 72348893 YWRAABKWAUARFQ-MRXNPFEDSA-N 412.946 4.677 0 40 HJAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1 72359181 RUFFKLCPVWFAKM-LJQANCHMSA-N 419.500 4.630 0 40 HJAB CC1=C[C@@H](CN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1 96617449 DZPWFOXQGMGBGX-VABKMULXSA-N 409.574 4.774 0 40 HJAB biogenic,in-vitro C[C@H](c1ccccc1)N1C[C@H](c2nc(-c3cccc(Br)c3)no2)CC1=O 101109148 ZPKCFCDJZONGAM-CZUORRHYSA-N 412.287 4.576 0 40 HJAB CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)cc1 222842627 RZRURTJJTGZADI-YADHBBJMSA-N 406.555 4.652 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)ccc1Cl 223361849 XLKWFQBITSNAKV-AWEZNQCLSA-N 401.890 4.802 0 40 HJAB Cc1nc(NC(=S)NCc2ccc(Cl)cc2)c(Br)cc1Cl 223928392 DZGIOYBOALTKTC-UHFFFAOYSA-N 405.148 4.946 0 40 HJAB COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1ccc(Cl)c(C)c1 224207809 JVECKPLOTHFFLX-UHFFFAOYSA-N 424.884 4.587 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 224224166 SFECRPASETYSDF-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 224738801 NLQHPNSUPFBJQP-QFIPXVFZSA-N 414.977 4.771 0 40 HJAB CC(C)Oc1cccc(CCCNC(=S)Nc2cccc(N3CCCC3=O)c2)c1 225566484 CPUZVVVDPQFYCU-UHFFFAOYSA-N 411.571 4.520 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 225584981 WAOURDILXLJVAN-PGRDOPGGSA-N 414.977 4.913 0 40 HJAB Fc1ccc(CCCNC(=S)Nc2nc(Cl)cc(N3CCCCCC3)n2)cc1 225970015 IXKVDOWQWMMGCV-UHFFFAOYSA-N 421.973 4.569 0 40 HJAB CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C(C)C)CC1 257275170 NOEPRYPWSOXOGE-UHFFFAOYSA-N 406.570 4.686 0 40 HJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1cccc(Cl)c1 408643817 CESPYRVDTQWRQR-UHFFFAOYSA-N 417.086 4.860 0 40 HJAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1C 408702570 MOXYDOKLCAIRKZ-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc(C)c1Cl 408703220 OVNVIQQPQUJTGM-INIZCTEOSA-N 400.906 4.599 0 40 HJAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C 408999800 SBSPVNZLCWULGP-UCFCWBNQSA-N 406.570 4.654 0 40 HJAB CCCCOc1ccc2ccccc2c1/C=c1\sc2nc3ccccc3n2c1=O 409007642 PZTKNYVGFVTJIC-JCMHNJIXSA-N 400.503 4.789 0 40 HJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2C)cc1C 409107402 RPQLWVZPDJIMKM-UHFFFAOYSA-N 400.935 4.885 0 40 HJAB O=C(c1cnn2c(-c3ccccc3)ccnc12)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 561133494 QRCWZSXPSHZBBE-BGWNEDDSSA-N 408.505 4.805 0 40 HJAB Cc1sc2ncnc(SCC(=O)Nc3ccccc3Br)c2c1C 888551 MHOMRYFKSNEMHP-UHFFFAOYSA-N 408.346 4.801 0 40 HJAB FC(F)(F)c1cccc(Nc2ncnc3ccc(I)cc23)c1 955107 JJKILGVHYKVUPC-UHFFFAOYSA-N 415.156 4.997 0 40 HJAB O=C1CS[C@@H](c2ccc(Br)cc2)N1c1ccc(Br)cc1 1090314 VYVSRHOLFOPNGF-HNNXBMFYSA-N 413.134 4.990 0 40 HJAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)Cc1ccccc1F 1330141 SRWAGKISVPGIME-UHFFFAOYSA-N 405.400 4.914 0 40 HJAB Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1-c1ccc(C(C)(C)C)cc1 1402304 HKFPOYCQVQFURZ-UHFFFAOYSA-N 410.827 4.696 0 40 HJAB Cc1ccc(C(=O)N2CCN(c3nnc(-c4ccccc4)c4ccccc34)CC2)cc1 2409249 LUGWJXRQKMFLLO-UHFFFAOYSA-N 408.505 4.568 0 40 HJAB CC(C)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3561229 JTUBXZXCMXMIJA-UHFFFAOYSA-N 406.935 4.500 0 40 HJAB C[C@@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 4120478 GBBRAIKXMMJSOE-CQSZACIVSA-N 408.445 4.604 0 40 HJAB CCOC(=O)CSc1nnc(COc2ccc3ccccc3c2)n1-c1ccccc1 4124933 VIHGJLMQUQNUPS-UHFFFAOYSA-N 419.506 4.655 0 40 HJAB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 4514829 RTCLCTZDAZPLDH-HNRFISLBSA-N 407.875 4.506 0 40 HJAB CCCCCCC1=NN(C(=O)COc2c(C)cc(C)cc2C)[C@](O)(C(F)(F)F)C1 4551184 FXCXWJMCYOWVME-HXUWFJFHSA-N 414.468 4.800 0 40 HJAB O=C(NCc1ccccc1Cl)C1CCC(C(=O)NCc2ccccc2Cl)CC1 5847168 KMYVUGNBAMKCBQ-UHFFFAOYSA-N 419.352 4.732 0 40 HJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1ccccn1 7980503 AXCCPDLIOGBOAA-UHFFFAOYSA-N 402.885 4.860 0 40 HJAB CC(C)n1c(/C=C\[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21 7997999 FJLGEFLZQAZZCD-DBBWNDPISA-N 411.473 4.628 0 40 HJAB O=C(c1ccc(-n2cccn2)cc1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 8036944 QWFFAMOIPCPXOI-UHFFFAOYSA-N 417.490 4.552 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4c(C)noc4C)cc3)sc2c1 9119345 AVYKMSXBGXYNLL-UHFFFAOYSA-N 421.478 4.672 0 40 HJAB CCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C 9232126 KSZYKFZDCVSNKY-UHFFFAOYSA-N 420.303 4.603 0 40 HJAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1NC(=O)c1ccco1 9549698 RLMNMUXPDNZFCC-QGZVFWFLSA-N 414.465 4.517 0 40 HJAB O=C(NCc1ccccc1)c1cccc(OCc2nc(-c3ccccc3Cl)no2)c1 9637649 FKLMXDCMFRTKGH-UHFFFAOYSA-N 419.868 4.899 0 40 HJAB CCc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(OC)cc2OC)CC3=O)cc1 10156874 LPZPNURVTJJVCB-INIZCTEOSA-N 403.482 4.713 0 40 HJAB CCOc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 10315217 UCIHMYCUKHRLIC-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB O=C(CCc1nc2ccccc2s1)N1CCCN(Cc2ccc(Cl)cc2)CC1 10975561 GTURELVPRYMCML-UHFFFAOYSA-N 413.974 4.617 0 40 HJAB S=c1n(CN(Cc2cccnc2)C2CC2)nc(-c2ccco2)n1Cc1ccccc1 11246413 HZSSOITTWWHBNZ-UHFFFAOYSA-N 417.538 4.739 0 40 HJAB CC(C)Oc1ccc(-c2nonc2NC(=O)c2ccccc2Br)cc1 12111528 YAHPLOWIQKBZOP-UHFFFAOYSA-N 402.248 4.539 0 40 HJAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)CSc2ccc(F)cc2)cc1 12755048 UETKVAVYOAZDQB-UHFFFAOYSA-N 408.542 4.963 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3F)C2)c2ccccc12 12767437 VXRGFDWEQRVTKJ-HNNXBMFYSA-N 424.447 4.618 0 40 HJAB CC(C)(C)c1ccc(OCCCC(=O)Nc2cccc(-c3nnc4n3CCC4)c2)cc1 12779998 QVIJYPBTKHJLFY-UHFFFAOYSA-N 418.541 4.987 0 40 HJAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 13021755 MYCPIUJXDWXMFU-DNQXCXABSA-N 414.505 4.518 0 40 HJAB O=C(CCSCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13688184 RCXOXDFZGRVVIX-UHFFFAOYSA-N 408.489 4.678 0 40 HJAB COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3ccccc23)CC1 13740841 XLLSZDJAXFXJTA-UHFFFAOYSA-N 408.498 4.688 0 40 HJAB in-vitro CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(CN2CCCC2=O)c1 14118088 JWWALIGFDXLUFI-UHFFFAOYSA-N 422.912 4.995 0 40 HJAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSC1=Nc2ccccc2CS1 14232217 ZKJQAHCATIXEMR-UHFFFAOYSA-N 416.568 4.720 0 40 HJAB C[C@@H]1C[C@H](N(c2ccccc2)S(C)(=O)=O)c2ccccc2N1C(=O)c1ccccc1 14607298 RSHDVNNVMVTUMA-JPYJTQIMSA-N 420.534 4.633 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccccc2)cc1 14609666 MMWXJHIDPJKBMU-UHFFFAOYSA-N 404.857 4.849 0 40 HJAB CN(C)C(=S)S[C@@H]1C(=O)c2cc(Br)ccc2O[C@H]1c1ccccc1 16163088 CGJPGHHUDOQHAA-DLBZAZTESA-N 422.369 4.714 0 40 HJAB Cc1cc(C)c([S@](=O)Nc2ccccc2-c2nc3ccccc3[nH]c2=O)c(C)c1 16267569 LCCVQUDEYBIFOE-GDLZYMKVSA-N 403.507 4.650 0 40 HJAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 17089000 JEOSIFAPUIBJCA-QGZVFWFLSA-N 411.571 4.981 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(F)c2)c1 17250049 RKDOIEBMLDPGSI-UHFFFAOYSA-N 422.485 4.930 0 40 HJAB Cc1ccc2cccnc2c1NC(=O)c1cc(Cn2nccc2C)nc2ccccc12 19234334 UOEGHRHPUBPLOR-UHFFFAOYSA-N 407.477 4.897 0 40 HJAB COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(CC2CCCCC2)C1 19568927 NUKXZYKENZPWCP-OFVILXPXSA-N 421.585 4.854 0 40 HJAB Cc1cccc(C2(C(=O)Nc3nnc([C@@H](C)Oc4ccccc4)s3)CCOCC2)c1 19662540 STMHPOCKHXPCJO-QGZVFWFLSA-N 423.538 4.673 0 40 HJAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc2nccc(-c3ccc(OC)cc3)n2n1 19716584 WMSQRNGZAHTXDA-NRFANRHFSA-N 418.472 4.767 0 40 HJAB Cc1nn2c(nnc3c(=O)n(-c4ccc(Cl)cc4)ccc32)c1-c1cccc(Cl)c1 19962768 UGCQMSJJUBUNAO-UHFFFAOYSA-N 422.275 4.711 0 40 HJAB O=C(O)COc1cc(NC(=O)Cc2ccccc2)ccc1-c1nc2ccccc2s1 20158189 NOMVXZCYYRPJTA-UHFFFAOYSA-N 418.474 4.608 0 40 HJAB COCc1nc2ccccc2c(C)c1C(=O)OCc1cc(Cl)cc2c1OCOC2 22356963 FBMVZAAIEGJVBE-UHFFFAOYSA-N 413.857 4.567 0 40 HJAB CN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)C1CCCCC1 22525937 RTELBHIXJOGFLV-UHFFFAOYSA-N 406.935 4.546 0 40 HJAB CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 22913812 OYUFVKZGNALTQT-UHFFFAOYSA-N 414.505 4.674 0 40 HJAB CCOc1ccc(-c2noc(CCC(=O)N3CCCCC[C@H]3c3cccn3C)n2)cc1 24456686 QCNNBENGKYGWOA-NRFANRHFSA-N 422.529 4.550 0 40 HJAB CCc1ccc(Nc2nc(Nc3ccc(C)c(Cl)c3)nc(N3CCOCC3)n2)cc1 27546465 DSEOEUARNVGTQX-UHFFFAOYSA-N 424.936 4.720 0 40 HJAB Cc1ccc([C@@H](CNC(=O)c2ccccc2Br)N2CCCCC2)cc1 27583979 YDAOTXXHHXQNFM-HXUWFJFHSA-N 401.348 4.715 0 40 HJAB Cc1c(NC(=O)CCCSc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 28646741 VGZIJFCTZRTMEM-UHFFFAOYSA-N 415.946 4.649 0 40 HJAB Cc1ccc(CNC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1C 32579033 OLOJMYYHTFIMJT-UHFFFAOYSA-N 413.477 4.716 0 40 HJAB CCOc1ccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c23)cc1 33291864 ZUXVLHXESZVCGD-UHFFFAOYSA-N 404.495 4.754 0 40 HJAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccncc1)CN(Cc1ccccc1)C2 33499234 UMZNAQLCLZMHJR-ZHZULCJRSA-N 407.473 4.884 0 40 HJAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@H](c2nnc(Cc3ccc(F)cc3)o2)C1 35596966 SXHNADDDWNRSOR-HNNXBMFYSA-N 414.868 4.864 0 40 HJAB Cc1ccc(CN(CCCn2ccnc2)Cc2cc3c(cc2Cl)OCO3)s1 43277877 KMXVHEYKMVYNSC-UHFFFAOYSA-N 403.935 4.728 0 40 HJAB CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1coc3ccccc3c1=O)NC2 54979035 TYSGOOQFEPLJAB-DEOSSOPVSA-N 416.477 4.574 0 40 HJAB Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)CC2)c1C 61992819 FUQREJMZEDWYJM-XOWPYVIYSA-N 422.613 4.740 0 40 HJAB biogenic COc1ccc(Br)c(-c2nc(-c3ccc(CNC(C)=O)s3)cs2)c1 69978409 NXQIKAGDSKSUGP-UHFFFAOYSA-N 423.357 4.946 0 40 HJAB Cc1cc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)ccc1Br 72330070 IPNRKDAGSAVOML-UHFFFAOYSA-N 416.193 4.572 0 40 HJAB CCOc1ccc(CCC(=O)NCCSCc2cccc(C)c2)cc1OCC 216468127 NHPMPKRAEOZPDT-UHFFFAOYSA-N 401.572 4.775 0 40 HJAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 224205064 ANVDIYXTBUGTNA-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2Cl)cc1 224228605 NQCPCVDWAIPJBU-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225447397 OHDBWCSSGVQSQS-SFTDATJTSA-N 424.585 4.563 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 225542707 GMUQMGRRGCRHBC-PGRDOPGGSA-N 414.977 4.913 0 40 HJAB O=C1CCCN1c1ccc(NC(=S)NCCCc2cccc3ccccc23)cc1 225809133 XXXUXVNALKOXNR-UHFFFAOYSA-N 403.551 4.886 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)ccc1O[C@@H](C)CC 225832008 DTGPZUQWSLAFEL-SAHWJRBASA-N 405.535 4.965 0 40 HJAB Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)s1 257332588 XXYDTGZPGLSSPE-LJQANCHMSA-N 413.518 4.774 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ncc(C)s3)CC2)c1 532704548 UFXDBWZMZZOIDI-JOCHJYFZSA-N 420.582 4.570 0 40 HJAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)Cc1ccccc1)CCOCCO2 643572278 FKCGMDWLTIMNPC-UHFFFAOYSA-N 415.533 4.566 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)[C@]3(C)Cc4ccccc4C(=O)O3)n2)cc1C 1521210199 RLXQCXNZGSFHBS-QHCPKHFHSA-N 406.507 4.846 0 40 HJAB O=C(Nc1cccc(O)c1)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F 866035 WFFOLPFLWDPYPC-IAGOWNOFSA-N 420.366 4.640 0 40 HJAB COC(=O)c1c(NC(=O)C2CCCCC2)sc(C(=O)Nc2ccccc2)c1C 870722 OLJVLSJDQAJAFY-UHFFFAOYSA-N 400.500 4.614 0 40 HJAB COc1ccc(NC(=O)CSc2nnc3c(C)cc4c(C)ccc(C)c4n23)cc1 929673 NCZFZWCYYUDUJA-UHFFFAOYSA-N 406.511 4.547 0 40 HJAB COc1ccccc1OCCCSc1nc2ccccc2c(=O)n1-c1ccccc1 2065604 MGBLHMVKRPCKRB-UHFFFAOYSA-N 418.518 4.956 0 40 HJAB COc1ccc(C(=O)N[C@@H](Nc2ccccc2Cl)C(Cl)(Cl)Cl)cc1 3122760 OUMMXCJZPIVAOS-OAHLLOKOSA-N 408.112 4.887 0 40 HJAB O=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(Br)o1 3530878 ZHVCEEXIPATVFP-KRWDZBQOSA-N 418.218 4.718 0 40 HJAB Cc1c(CCC(=O)NCc2ccco2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 4089507 ADHDMMNUDCHHLI-UHFFFAOYSA-N 405.450 4.568 0 40 HJAB biogenic CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1c[nH]c2ccccc12 4138551 GBENYADCJKJRKK-UHFFFAOYSA-N 411.918 4.831 0 40 HJAB CC[C@H]1CCCCN1C(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 4828040 ANJIEHUTLWTBGC-CGTJXYLNSA-N 406.452 4.948 0 40 HJAB COc1cc([C@H]2CC(c3cccnc3)=NN2c2ccc(F)cc2)cc(OC)c1OC 5603976 VTERAFNFGAIBOC-HXUWFJFHSA-N 407.445 4.602 0 40 HJAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\Nc1ccc(C(=O)c2ccccc2)cc1 6192870 STKXNUNAASORGT-ZHZULCJRSA-N 402.837 4.828 0 40 HJAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6653725 MAGKWJVOZGNUKW-UHFFFAOYSA-N 413.521 4.572 0 40 HJAB O=C(COc1ccccc1Cc1ccccc1)Nc1nc(-c2cccnc2)cs1 6830356 XMTIFTXDRNXPTC-UHFFFAOYSA-N 401.491 4.813 0 40 HJAB COc1ccc2c(CC(=O)Nc3nc(-c4ccccc4)c(C(C)=O)s3)coc2c1 7799913 HLAILMDJOBUUDA-UHFFFAOYSA-N 406.463 4.949 0 40 HJAB CCN(CC)Cc1ccc(CNC(=O)c2cc(Br)ccc2Cl)cc1 7828398 BCLWELWXGUCSQJ-UHFFFAOYSA-N 409.755 4.874 0 40 HJAB CCc1ccccc1N1C[C@H](C(=O)Nc2cc(C)c(Br)cc2C)CC1=O 7881973 CTKSLBMVIZSOPQ-MRXNPFEDSA-N 415.331 4.620 0 40 HJAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)ns2)cc1C 8654872 IELGQEXLKXUXCI-UHFFFAOYSA-N 418.316 4.602 0 40 HJAB Cn1c(SCc2cc3ccccc3nc2Cl)nnc1[C@H]1COc2ccccc2O1 9254361 CIXDMVHUUHXJIX-GOSISDBHSA-N 424.913 4.822 0 40 HJAB CCOc1ccc(OCC)c(-c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)c1 9803554 SXYGKZDMTBNSAR-UHFFFAOYSA-N 412.467 4.589 0 40 HJAB COc1cc(Cl)c(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1OC 10591361 BCPFSEJNWCGUNJ-UHFFFAOYSA-N 406.866 4.957 0 40 HJAB COc1ccc(C)cc1[C@H](C)NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 12792829 ZZGIRKPWNGEVGQ-KRWDZBQOSA-N 410.514 4.725 0 40 HJAB CC(=O)Nc1cccc(NC(=O)CN[C@@H](c2ccccc2)c2ccc(C)c(C)c2)c1 12819675 LJFCSFISOXMGFI-VWLOTQADSA-N 401.510 4.580 0 40 HJAB CCc1ccc([C@@H](Nc2ccc3nnc(C(F)(F)F)n3n2)c2cccs2)cc1 12873850 LMSAIXDGSZWEQC-QGZVFWFLSA-N 403.433 4.969 0 40 HJAB COc1ccc2cc([C@H](C)C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)ccc2c1 12980596 HIEKIXADIKPKQQ-SFHVURJKSA-N 404.510 4.632 0 40 HJAB Cc1ccccc1N1C(=O)c2ccc(C(=O)N3CCC[C@H]3Cc3ccccc3)cc2C1=O 13012725 JRUHMELROFFUNE-NRFANRHFSA-N 424.500 4.643 0 40 HJAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2Cc3ccccc3S2)cc1 13023892 CFQFXCQPFDOMMU-XMMPIXPASA-N 402.563 4.748 0 40 HJAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1)c1ccccc1Cl 14013570 QROUCMBXWBMXKM-QFIPXVFZSA-N 417.896 4.801 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc2cccnc2n(Cc2ccccc2)c1=O 15883306 LUOXYEYVFJPFMX-UHFFFAOYSA-N 423.394 4.716 0 40 HJAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C[C@H](C)CC(=O)O)c2C(=O)OC)C1 17088322 OCYUETVFUZNGMC-STQMWFEESA-N 409.548 4.515 0 40 HJAB COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c1 19565055 KRJQTASYDODNQU-AUSIDOKSSA-N 421.566 4.535 0 40 HJAB O=C(COc1ccc(F)cc1F)N1CCC[C@H]1c1ccc(Cc2ccccc2)cn1 19688370 YPEHYAWJEYCSPU-QFIPXVFZSA-N 408.448 4.693 0 40 HJAB O=C(NC(=S)Nc1ccc(NC(=O)c2ccccc2Cl)cc1)c1cccs1 19894045 ANZHLUWHNNMHIQ-UHFFFAOYSA-N 415.927 4.781 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C)cc2)c1 20046928 VSKRNTIPAYIVBJ-GOSISDBHSA-N 424.522 4.510 0 40 HJAB Cc1cc(C)c(OCC(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c(Cl)c1 20144367 YHKSJNPSCAODIZ-UHFFFAOYSA-N 402.661 4.979 0 40 HJAB O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccccc1Cl 20151738 GOOBHZJKKKBXJQ-UHFFFAOYSA-N 421.305 4.873 0 40 HJAB O=C(Cn1c(SC(F)F)nc2ccccc21)N(Cc1ccccc1F)C1CC1 22009654 IQLJILDHJLIPCL-UHFFFAOYSA-N 405.445 4.681 0 40 HJAB O=C(Cn1c(SC(F)F)nc2ccccc21)N(Cc1ccco1)Cc1ccco1 30471114 RFPMBGYMLKOEJD-UHFFFAOYSA-N 417.437 4.766 0 40 HJAB COc1cc(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC 31335541 XKSHUKVYUIUAFI-LBPRGKRZSA-N 412.313 4.781 0 40 HJAB CCCc1noc([C@@H](C)Sc2nc3sc(-c4ccccc4)cc3c(=O)n2C)n1 31697141 QRLYLKLHSJXPKO-GFCCVEGCSA-N 412.540 4.851 0 40 HJAB CCCCN(CC)C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 32888299 TXBDKNUMRRCNCO-UHFFFAOYSA-N 422.529 4.713 0 40 HJAB CCOc1ccc(CC(=O)Nc2cnc(C)n2-c2nc(-c3cccs3)cs2)cc1 35682752 ZVDHOIKMQPHHJT-UHFFFAOYSA-N 424.551 4.946 0 40 HJAB O=S(=O)(c1ccc(F)cc1)N(Cc1cc(-c2ccccc2)on1)c1ccccc1 39992583 GWSQXFHNMDBSOC-UHFFFAOYSA-N 408.454 4.876 0 40 HJAB COc1cc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)nc2C)cc(OC)c1OC 40111834 UQUNKMPJBAVQMS-OAHLLOKOSA-N 406.482 4.574 0 40 HJAB CCCCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1 40915766 AXUIYQAYDSGWBB-QFIPXVFZSA-N 417.513 4.775 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2C)c1 44846333 QWVOEWCVQMLKOU-UHFFFAOYSA-N 414.571 4.817 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(CN3CCCCC3)cc1)CC(C)(C)O2 44855562 ZLGIFVZIBLAZGS-JOCHJYFZSA-N 408.542 4.713 0 40 HJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(CN2CCCC2)cc1 44872944 MIYNADXRFSZINS-VWLOTQADSA-N 402.538 4.909 0 40 HJAB CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1C 44911670 FQQOYFRXNYMFIB-UHFFFAOYSA-N 414.933 4.676 0 40 HJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 47553299 LCCVFSLJUAGZSP-UHFFFAOYSA-N 413.808 4.731 0 40 HJAB CCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 57313776 UTAFCAQNNSUOFO-UHFFFAOYSA-N 404.289 4.660 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc2c(c1)OCCCO2 58424856 GJUWLUDGEGXMFT-UHFFFAOYSA-N 406.404 4.719 0 40 HJAB Cc1cccc(Cc2cnc(NC(=O)Cn3ccc(C(F)(F)F)n3)s2)c1Cl 58649095 KHBXBZJCYXFZES-UHFFFAOYSA-N 414.840 4.550 0 40 HJAB C[C@H](NC(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccc(-n2cncn2)cc1 62640065 VGWCFIGGAWAUOJ-ZDUSSCGKSA-N 409.902 4.535 0 40 HJAB CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)CCCc2ccccc2)C1 72350690 PNKOYVPHSBTRTQ-OAQYLSRUSA-N 417.557 4.515 0 40 HJAB CCn1c(C2CC2)nn(CN2C[C@@H](c3ccccc3Cl)OCC2(C)C)c1=S 83836821 YBJHOYAIMHQOMJ-KRWDZBQOSA-N 406.983 4.774 0 40 HJAB Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCC[C@@H](C)C3)c(O)n2n1 102878987 OPVYREZVZZSPSR-MEBBXXQBSA-N 411.358 4.933 0 40 HJAB O=C(c1ccc(C(F)(F)F)nc1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219328181 LSYYHHWSJDBABB-HNNXBMFYSA-N 402.388 4.699 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 223177610 OWTIDSOTCHOEPV-HXUWFJFHSA-N 400.950 4.605 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 223268598 WRXYYNPYMVMVBE-OAQYLSRUSA-N 414.977 4.913 0 40 HJAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C 223755689 JWIUJVMISDGQEL-YADHBBJMSA-N 406.555 4.706 0 40 HJAB Cc1cc(NC(=S)NCC2(c3ccc(Cl)cc3)CCOCC2)ncc1Cl 224016415 WBHPJANWZNDFQE-UHFFFAOYSA-N 410.370 4.732 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 224440839 GCHLUYAWJQJNLS-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 225482473 DVCXQBVYNGCMHT-NZQKXSOJSA-N 424.585 4.713 0 40 HJAB Cc1ccc(SCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225576172 CLQVNTNUYFMLGJ-UHFFFAOYSA-N 420.981 4.908 0 40 HJAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1 225755510 FUXHGKGXOFKQID-UHFFFAOYSA-N 408.807 4.929 0 40 HJAB O=C(O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 226327120 QUWBQJCBSPAZRW-UHFFFAOYSA-N 423.033 4.875 0 40 HJAB Cc1cc(Nc2cccc(CC3CCN(C(=O)c4cccc(Cl)c4)CC3)n2)[nH]n1 257223679 DYMAPYGUFPNOGT-UHFFFAOYSA-N 409.921 4.605 0 40 HJAB Cc1ccccc1-c1ccccc1CC1(C(=O)NC(C)C)CCN(C(=O)C2CC2)CC1 257269927 MRZUCYZBNOFOBJ-UHFFFAOYSA-N 418.581 4.748 0 40 HJAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 408625123 IDVYAWAYCADXFS-UHFFFAOYSA-N 424.522 4.664 0 40 HJAB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C1=O 409234446 WRXWWJRZYYKPPI-LICLKQGHSA-N 405.281 4.793 0 40 HJAB CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccc(OCC)cc3)c(C)oc2c1 627443 UKOVNKBCYCIFRJ-HNNXBMFYSA-N 412.438 4.623 0 40 HJAB Cc1nnc(SCC(=O)Nc2cccc3ccccc23)n1CCc1ccccc1 891377 PMDUBZQXBMFHGE-UHFFFAOYSA-N 402.523 4.713 0 40 HJAB Cc1cc2nc(-c3ccc(SCC(=O)N4CCc5ccccc54)nc3)[nH]c2cc1C 1329753 AMMBOSFTOCPKII-UHFFFAOYSA-N 414.534 4.923 0 40 HJAB COc1ccc(C(=O)Oc2ccc(CC(=O)Nc3ccc4c(c3)CCC4)cc2)cc1 1384187 VIKCJISJBSBULM-UHFFFAOYSA-N 401.462 4.584 0 40 HJAB COC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CC[C@@H](C(C)(C)C)C2 1918442 PMZCTIWDJMOHTA-CQSZACIVSA-N 401.528 4.947 0 40 HJAB Cc1cccc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)c1 2368795 MUWORRVIULJKJK-UHFFFAOYSA-N 408.461 4.821 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)Nc3cccnc3Cl)s2)cc1C 3288921 DDTWWEXAZLJJJT-UHFFFAOYSA-N 405.936 4.678 0 40 HJAB COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(OC)c2)c1 4715810 AVOOUKXSTYTVLC-WIOPSUGQSA-N 416.477 4.955 0 40 HJAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)o1 5100955 SSXKPJCXHIZOQD-FXAWDEMLSA-N 410.271 4.988 0 40 HJAB Clc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)c1 5515980 ZOQYDPIIIKWEMA-VXKWHMMOSA-N 413.868 4.539 0 40 HJAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(Cl)cc3)c2C(N)=O)C1 5902010 KHLGIGTZRJMGQW-CYBMUJFWSA-N 404.963 4.833 0 40 HJAB O=C(Nc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6146972 LZHHIYCFOTYEOG-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB Cc1ccc(C)c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c1 6426349 SCCLCGLHDMILMB-HSZRJFAPSA-N 406.507 4.923 0 40 HJAB C[C@@H]1CCN(C(=O)CSc2nnc(-c3cccs3)o2)c2ccccc2S1 6462719 HPDQZVJLPMRPGC-GFCCVEGCSA-N 403.554 4.808 0 40 HJAB O=C(OCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)c1ccccc1F 6610766 FDQCWRDFLKDCDS-FQEVSTJZSA-N 407.466 4.863 0 40 HJAB CCNC(=O)CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1 6833762 HNAJMNKMMUQDID-UHFFFAOYSA-N 408.571 4.756 0 40 HJAB COc1cccc(NC(=O)[C@H](C)OC(=O)c2csc(-c3cccc(Cl)c3)n2)c1 7106834 OJVCUYVMEADQJX-LBPRGKRZSA-N 416.886 4.656 0 40 HJAB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 7255281 GIQZUFUPYQRMCI-LFYBBSHMSA-N 407.438 4.595 0 40 HJAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1C1CC1 7886326 UXICMMZGQKFUMN-NRFANRHFSA-N 410.880 4.761 0 40 HJAB O=C(N[C@H]1CCOc2ccccc21)c1cn(Cc2ccccc2)nc1-c1ccccc1 8029187 QFQYBMCMRGNCFV-QHCPKHFHSA-N 409.489 4.852 0 40 HJAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)c[nH]c12 8087992 MTURCJDIDSYXLQ-ODLFYWEKSA-N 419.506 4.714 0 40 HJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nc3ccccc3[nH]2)c1 8216463 BPPWXBWJAODYAU-UHFFFAOYSA-N 416.506 4.854 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 8434130 NRJLWJSSVAAHSI-RTBURBONSA-N 402.494 4.519 0 40 HJAB O=c1/c(=C/c2ccc(OCc3ccccc3)c(Cl)c2)sc2nc3ccccc3n12 8915959 DEYRNIJIZAJXIV-BKUYFWCQSA-N 418.905 4.689 0 40 HJAB Cc1nc2c(=O)n(Cc3cccc(C(F)(F)F)c3)nc(-c3cccs3)c2s1 8956036 BXRVSMDDMGJVHQ-UHFFFAOYSA-N 407.442 4.957 0 40 HJAB O=C(NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1ccc(C(F)(F)F)cc1 9040326 AXYBWJKDWDBMMH-GFCCVEGCSA-N 411.811 4.533 0 40 HJAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1 9234425 URAJLMXKQAKYCG-UOEVCUDDSA-N 424.522 4.847 0 40 HJAB CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)nnc1-c1ccco1 9257861 PISXLLLKYUFCHS-IBGZPJMESA-N 424.551 4.617 0 40 HJAB O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1cccc(Oc2ccccc2)c1 9427765 YSXXCTVYTFDEDY-UHFFFAOYSA-N 415.405 4.552 0 40 HJAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1cc(C2CC2)nn1-c1ccccc1 9725281 FTCMUJGNJQOWRU-UHFFFAOYSA-N 424.504 4.614 0 40 HJAB Cc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1Cl 10188121 KNCPHAVDILFXHP-UHFFFAOYSA-N 421.859 4.798 0 40 HJAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccccc4C)cc3C[C@H]2C)cc1 10326548 LHEABZWEQNNUCX-GOSISDBHSA-N 420.534 4.696 0 40 HJAB O=C(Nc1ccc(SC(F)F)cc1)[C@@H]1CCCN1c1ncnc2ccccc12 11246716 GRJGXZPRAIFJGP-KRWDZBQOSA-N 400.454 4.552 0 40 HJAB O=C(CCc1csc(NC(=O)c2cccs2)n1)Nc1ccc(F)c(Cl)c1 11835212 GWKTXCYRSFFLEN-UHFFFAOYSA-N 409.895 4.821 0 40 HJAB Cc1ccc(NC(=O)C2(C[C@@H]3CC(c4cccc(F)c4)=NO3)CCOCC2)cc1C 12365934 MPOMAIXNYMXMPN-NRFANRHFSA-N 410.489 4.761 0 40 HJAB COc1ccc(-c2cc(C(=O)OCc3ccccn3)c3ccccc3n2)cc1OC 12783323 SIDRVOCQYVFWKU-UHFFFAOYSA-N 400.434 4.671 0 40 HJAB CNC(=O)c1ccc(CN(C)C(=O)c2ccccc2OCc2ccccc2Cl)cc1 12902257 UPQDUVCUWATPOV-UHFFFAOYSA-N 422.912 4.551 0 40 HJAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(C(=O)c2ccccc2)cc1 12912738 OZBIEAPNZWPTRM-UHFFFAOYSA-N 414.505 4.717 0 40 HJAB Cc1oc(-c2cccs2)nc1CC(=O)N(C)CC(=O)Nc1cccc2ccccc12 12946189 KUPXBCLHIIAENV-UHFFFAOYSA-N 419.506 4.504 0 40 HJAB COc1ccc(CC(=O)Nc2nc(-c3c(C)n(C)c4ccc(OC)cc34)cs2)cc1 13552223 RVDGUEIUHOXYMS-UHFFFAOYSA-N 421.522 4.809 0 40 HJAB O=C([C@@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)c1ccccc1)N1CCCC1 14897967 WQMGVSYSRRYDMY-YPNIWSFNSA-N 408.502 4.570 0 40 HJAB C[C@@H](NS(=O)(=O)c1ccccc1Br)c1ccc(Cl)c(Cl)c1 16087315 MDKFOBPGJPASGB-SECBINFHSA-N 409.132 4.795 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)O)c(Cl)c1 16285080 MGBKTCMQJPNHON-UHFFFAOYSA-N 417.701 4.780 0 40 HJAB COc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 17090556 BKQGOMBGHMOGGH-UHFFFAOYSA-N 416.433 4.711 0 40 HJAB O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 19370361 UHYBRQGQKUFNGG-ATIYNZHBSA-N 417.528 4.533 0 40 HJAB COc1ccccc1-c1nnc(CSc2nnc(-c3ccccc3Cl)o2)o1 19928122 FEVKVLPKRWTMCD-UHFFFAOYSA-N 400.847 4.741 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCC3)ccc2Cl)c1 20107646 KHLXVJWIKCJRRN-UHFFFAOYSA-N 420.962 4.772 0 40 HJAB C[C@@H](SC(=S)N1CCCC1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 22159998 WIOGBZXJKSXDER-SNVBAGLBSA-N 407.611 4.888 0 40 HJAB CCc1ccccc1N(CC(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccccc1 22274059 HUGDHKCYWIECGI-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB CC(C)c1ccccc1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O 24607653 GDZXXWGLQXIACX-UHFFFAOYSA-N 424.497 4.764 0 40 HJAB COc1cccc(-c2nc(C(=O)N[C@H](C)c3ccccc3Cl)cs2)c1OC 24835718 MDJAOVDMFOVFER-GFCCVEGCSA-N 402.903 4.972 0 40 HJAB COc1ccccc1[C@H](C)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 25109500 PPASLLQPRUKEIV-HNNXBMFYSA-N 421.463 4.545 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)c2cc3c(nc4sccn43)s2)cc1OC 25617429 VHVRNNABQCLDMW-CYBMUJFWSA-N 413.524 4.605 0 40 HJAB Cc1ccc(-n2ncc3c2N=C(O)C[C@]32C(=O)N(CC(C)C)c3ccccc32)cc1C 32089654 JOSWXORBRASBDL-RUZDIDTESA-N 414.509 4.770 0 40 HJAB O=C(O[C@@H](C(=O)NCCc1ccccc1)c1ccc2ncccc2c1)c1cccs1 35313112 IXKXSDJEQXIDKV-JOCHJYFZSA-N 416.502 4.553 0 40 HJAB C[C@@H](NC(=O)c1ccccc1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 39546204 RJJHXLNMLKKLOQ-WZONZLPQSA-N 423.557 4.569 0 40 HJAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc2c(c1)OCO2 49005107 LCEWFOYIWCLYDE-KRWDZBQOSA-N 418.497 4.815 0 40 HJAB CC(=O)c1cccc(NC(=O)CN[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1 57362956 RWNOTQZMLUJEFB-QHCPKHFHSA-N 424.447 4.808 0 40 HJAB Cc1ccc(-c2cc3c(SCC(=O)N4CCc5ccccc54)nccn3n2)cc1C 67289972 HJEUKHOVFOEDGX-UHFFFAOYSA-N 414.534 4.695 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2N(C)c2ccccc2)cc1 72214267 XMHUDHMICQSQKB-JOCHJYFZSA-N 407.539 4.684 0 40 HJAB CCn1cc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)c(C)n1 72376627 XWRKMKKEZIMVRC-OAQYLSRUSA-N 424.980 4.725 0 40 HJAB C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1 85221419 XQVVZDMIKBFLOZ-MRXNPFEDSA-N 414.465 4.803 0 40 HJAB COc1ccc([C@@H]2SCC(O)=Nc3ncn(-c4cccc(Cl)c4)c32)cc1O 95473473 NZPNGCGMXVQANC-SFHVURJKSA-N 401.875 4.664 0 40 HJAB COc1ccc2c(c1OC)C(=O)[C@@H](C(=O)c1ccccc1)[C@@H]2CC(=O)c1ccccc1 101571473 NVRNWOFZPFEZRX-DENIHFKCSA-N 414.457 4.756 0 40 HJAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Cl)cc1 138827595 BCIDXJJENUHQHD-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB Cc1cc(OCC(=O)NCCCc2ccc(OC(C)C)cc2)ccc1Br 218827427 FIHIKUFGRRQAQZ-UHFFFAOYSA-N 420.347 4.673 0 40 HJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 219036796 DCUHNKFETSLXOB-SFHVURJKSA-N 404.510 4.719 0 40 HJAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)O)cc3)o2)S1 222631192 MJPHRICYADKSML-SVIJTADQSA-N 405.479 4.629 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)ccc1Cl 222843416 UUECYXMPIAKPLK-KRWDZBQOSA-N 422.912 4.984 0 40 HJAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCCC2)c1C 223005028 YBQJDXZDVDACFV-FGZHOGPDSA-N 412.603 4.624 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@@H](C)CCc1ccccc1 223405362 CHHBSEGFSMFFLS-IBZADVPGSA-N 418.562 4.965 0 40 HJAB O=C(c1cc(F)ccc1F)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225262402 FOHTVUUHVJAKLJ-RQZCQDPDSA-N 401.463 4.671 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 225613999 RGOHTHSHAZDKDI-IERDGZPVSA-N 418.940 4.744 0 40 HJAB CC(C)Oc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)cc1C(F)(F)F 225954682 ABDAOZNHJCMONN-UHFFFAOYSA-N 401.425 4.755 0 40 HJAB CC(C)c1ccc(C(=O)Nc2cc(Br)c3nc(NN)sc3c2)cc1 226309569 VBGPBJFHIHWUKY-UHFFFAOYSA-N 405.321 4.720 0 40 HJAB O=C(NCC1CCN(C2CCSCC2)CC1)c1ccc(-c2ccsc2)cc1 245171767 XUFJOJPPXDPDQQ-UHFFFAOYSA-N 400.613 4.753 0 40 HJAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1c(F)cccc1F 257335663 YLHQSSVPYKZPQI-QFIPXVFZSA-N 424.495 4.687 0 40 HJAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1NC(=O)c1ccc(Cl)cc1 408626756 WORVYIASLPDJKD-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Cc1c(Br)ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1C 408638347 BYXYJLMKPNWSEK-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@@H]32)c1OC 408994795 JFDPWODHHIQJQK-VJBMBRPKSA-N 401.462 4.873 0 40 HJAB O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(N2CCc3sccc3C2)C1 575610207 DVGVPAUSFSCMJI-UHFFFAOYSA-N 408.498 4.562 0 40 HJAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575614257 XVQPWRMDCJILSV-OAQYLSRUSA-N 421.928 4.722 0 40 HJAB O=C(NCc1ccco1)[C@H]1CCCN1Cc1ccc(Oc2ccccc2F)c(F)c1 605573475 RHWDMUPRPJOBCT-HXUWFJFHSA-N 412.436 4.631 0 40 HJAB O=C(c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCC[C@H]2C[C@@H]21 672129756 GDJJLTXCXFMZNS-WFASDCNBSA-N 418.444 4.639 0 40 HJAB O[C@@H](CNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)COc1ccccc1 1162111301 NVOXAOFKTOWKDO-SFHVURJKSA-N 405.885 4.802 0 40 HJAB CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2cc1O[C@H](C)C(=O)OC 634095 RIWQFMQBPNPOGZ-CYBMUJFWSA-N 423.490 4.881 0 40 HJAB CC(C)COC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)cc1 934630 RMOBRHGKKWHODR-AWEZNQCLSA-N 420.303 4.668 0 40 HJAB C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1cccc(F)c1 1017079 HCERPOUMDXFXCE-VIFPVBQESA-N 417.072 4.757 0 40 HJAB COC(=O)Cc1c(C)c2ccc(OCc3ccc(Cl)cc3Cl)cc2oc1=O 2095952 UGCGFPJSZOJPDD-UHFFFAOYSA-N 407.249 4.703 0 40 HJAB biogenic CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 2136869 PRXNNRPRROCPQX-UHFFFAOYSA-N 415.902 4.809 0 40 HJAB CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1F 2355074 JDXSLKYDPFMODU-UHFFFAOYSA-N 424.423 4.854 0 40 HJAB CCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 3329661 JTNUIADZTLWNAR-UHFFFAOYSA-N 421.824 4.726 0 40 HJAB CCSc1nnc2c(n1)O[C@@H](c1ccc(Cl)cc1)N(C(C)=O)c1ccccc1-2 3640798 ILOVVWBKTLPWGP-IBGZPJMESA-N 412.902 4.748 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CCC(=O)[C@@]2(C)OC(C)=O)C1 3849968 VQRXERHIFBGNDD-DSJLVYBMSA-N 418.574 4.852 0 40 HJAB COc1ccc(/C=C/C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)cc1 4090967 XDUVLXZTDHCVSW-RMKNXTFCSA-N 419.344 4.601 0 40 HJAB COC(=O)C1=C(C(=O)OC)[C@@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1 4115766 POQQDNGGYUNLCD-DNQXCXABSA-N 413.473 4.632 0 40 HJAB C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 4286368 BJLULHBWLRCHEU-GFCCVEGCSA-N 405.281 4.978 0 40 HJAB CCCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(OC)cc1 4816702 JWDFMWRRUKCZLV-WOJBJXKFSA-N 410.905 4.808 0 40 HJAB Cc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccccc3F)C2)cc1 4860380 LQPPZERKCFWWDY-HSZRJFAPSA-N 408.498 4.983 0 40 HJAB Cc1nc2ccccc2n1CCC(=O)NCC[C@@H](c1ccc(F)cc1)c1ccco1 5209017 MIYKECYXFOGRGY-FQEVSTJZSA-N 405.473 4.805 0 40 HJAB CSc1ccc(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 5334935 GHUFRWGULPYQFC-XMMPIXPASA-N 402.519 4.599 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4Cc5c(c(C)nn5C(C)=O)[C@]4(C)CC[C@H]32)C1 5361288 LFSRWPRCKLPVBQ-DXBALXSTSA-N 410.558 4.760 0 40 HJAB CC(C)N(C(=O)CSc1nc(Cc2ccc(Cl)cc2)n[nH]1)c1ccccc1 5858824 PHHSYVZGUCCNTD-UHFFFAOYSA-N 400.935 4.583 0 40 HJAB COc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1ccccc1 6145576 RIQDLVVAGHPXFZ-UHFFFAOYSA-N 406.345 4.808 0 40 HJAB O=C(NCc1ccc(Cl)cc1Cl)/C(=C/c1ccco1)NC(=O)c1ccccc1 6280267 AJPCEZOZFRPIQC-UNOMPAQXSA-N 415.276 4.674 0 40 HJAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/C=C/c1ccco1 6355917 CXCWYOOTFXKPRN-IXNXFZHKSA-N 400.276 4.813 0 40 HJAB C[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc(C(N)=O)cc1 6509531 QNLSCGMNMVTNGD-SECBINFHSA-N 402.825 4.577 0 40 HJAB CCOc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 6554362 OEPZPULQLPNDNN-IBGZPJMESA-N 401.532 4.895 0 40 HJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1SCC(=O)N1CCCC1 8229648 OGXKQIMPMLJIFD-UHFFFAOYSA-N 423.582 4.644 0 40 HJAB COc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3Cl)c3ccccn23)cc1 8611828 XLZGBKJLUFHQQA-UHFFFAOYSA-N 419.868 4.667 0 40 HJAB CSCC[C@H](NC(=O)N[C@H](C)c1ccc(F)c(F)c1)c1nc2ccccc2[nH]1 9219902 GCPGWPDUCURNTD-XIKOKIGWSA-N 404.486 4.696 0 40 HJAB CSc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)cc1 9388733 OXQVACZVWINWGP-UHFFFAOYSA-N 419.428 4.534 0 40 HJAB O=C(CSc1ncnc2sccc12)N[C@@H](c1ccc(F)cc1)c1cccs1 9416237 QCCZHAIZMXTWFX-KRWDZBQOSA-N 415.540 4.890 0 40 HJAB CCCN1C(=O)N[C@H](c2c(Cl)cccc2Cl)C(C(=O)Nc2cc(C)on2)=C1C 10355548 HSPGLTJOEXGDSC-KRWDZBQOSA-N 423.300 4.679 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)N(C)Cc3c(F)cccc3Cl)o2)cc1C 10845998 MKQGXJBARFWFQD-UHFFFAOYSA-N 419.909 4.897 0 40 HJAB COc1cccc2c(NC(=O)c3cccnc3)c(C(=O)c3ccc(Cl)cc3)oc12 11865291 CUQJXSDEGXOFNX-UHFFFAOYSA-N 406.825 4.973 0 40 HJAB biogenic COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccc(OC)c4)=NN32)cc1 12196668 STCGKIDPWPTCEK-RCZVLFRGSA-N 416.477 4.955 0 40 HJAB Cc1ccc(/C=C(\C(=O)N2CCC(Cc3ccccc3)CC2)n2ccccc2=O)cc1 12467003 RUQVCFFWZGTTTA-LKUDQCMESA-N 412.533 4.636 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1Cc1cccnc1 12528127 DPUCKKOSHQHTHU-HXUWFJFHSA-N 402.837 4.587 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)n2C)cc1 12598749 QRZKPPFAGDWUQU-KRWDZBQOSA-N 420.582 4.639 0 40 HJAB CC(C)N(c1ccccc1)c1ccc(NC(=O)Cn2c(CO)nc3ccccc32)cc1 12649499 JCSCPDBPIQSZHS-UHFFFAOYSA-N 414.509 4.714 0 40 HJAB O=C(CCNC(=O)c1ccsc1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 12797773 MLHJADHPHQDZJT-UHFFFAOYSA-N 411.552 4.509 0 40 HJAB CCc1ccc(-c2noc(CCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)n2)cc1 12811870 FSGDFVTWCYPBHF-WEKSBHCLSA-N 407.558 4.953 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)c3c2C(=O)C[C@@H]3C)c(Br)c1 12996565 BHROIDAAVOIZBG-RYUDHWBXSA-N 420.278 4.993 0 40 HJAB CCc1nn2c3c(nnc2c1-c1ccc(Cl)cc1)C(=O)C[C@@H](c1ccccc1O)C3 13639483 DUIFHUDCRWXCMR-AWEZNQCLSA-N 418.884 4.625 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2C)cc1C 13668344 QRLJPZXHUVRYHD-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)C1 14360925 BVUNBMMZCPZZDS-IYBDPMFKSA-N 408.523 4.625 0 40 HJAB COc1ccc([C@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccccc2F)cc1 15412784 LUQZLBMBNDHPJD-DEOSSOPVSA-N 418.468 4.572 0 40 HJAB CCCCC1CCC(C(=O)N(Cc2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)CC1 16741448 HLGNTJGJKCQXPG-KITAHSCOSA-N 405.604 4.507 0 40 HJAB Cc1ccc(NC(=O)c2cc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)no2)cc1C 19214065 NGDRVCBTHGCGCA-LJQANCHMSA-N 409.530 4.830 0 40 HJAB CC[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1 20109077 ZFRXGNOEZLYWAF-QFIPXVFZSA-N 422.550 4.985 0 40 HJAB O=C(O)COc1cc(NC(=O)c2ccccc2F)ccc1-c1nc2ccccc2s1 20158269 YHQMASQJGLMSPX-UHFFFAOYSA-N 422.437 4.818 0 40 HJAB CCOc1cccc(CNC(=O)COc2ccc(C(C)C)cc2Br)c1 20457069 GOIDAQOKJDYYSY-UHFFFAOYSA-N 406.320 4.666 0 40 HJAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 20459353 MLGJSFLITZDWAM-QGZVFWFLSA-N 420.534 4.745 0 40 HJAB CCCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 20610358 FEQVHOGZJNUACW-UHFFFAOYSA-N 404.445 4.991 0 40 HJAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ncc(Cl)c(C)c3Cl)n2)cc1 21730996 RUHXRIZYOKAICW-UHFFFAOYSA-N 408.314 4.521 0 40 HJAB CCOc1ccccc1NC(=O)c1cn(CC)c2ccc(C(F)(F)F)cc2c1=O 22236824 YDVDGXNPHAEVQR-UHFFFAOYSA-N 404.388 4.691 0 40 HJAB CCOc1ccccc1/C=C/C(=O)Nc1nc(C)c(-c2nccn2C(F)F)s1 22472669 GBTWFODHACASOE-CMDGGOBGSA-N 404.442 4.761 0 40 HJAB CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCc4ccccc4C3)c(O)n2n1 22855071 FXLQCVWIVIACAT-HXUWFJFHSA-N 404.539 4.515 0 40 HJAB COc1ccc(OCCN(C)C(=O)c2ccccc2SCc2cscn2)cc1 23082133 IUWJDTGRHMLXOZ-UHFFFAOYSA-N 414.552 4.595 0 40 HJAB CCc1noc(CSc2nc3cc(Cl)ccc3c(=O)n2C2CCCCC2)n1 25049687 QSBMEOZRQFPCCO-UHFFFAOYSA-N 404.923 4.793 0 40 HJAB CCSc1nnc(NC(=O)COc2ccc3ccccc3c2Br)s1 29783961 XEFFGQRNWKURJZ-UHFFFAOYSA-N 424.345 4.583 0 40 HJAB Cc1nc2c(cc1C(=O)NC[C@H](c1ccccc1)c1c[nH]c3ccccc13)c(C)nn2C 29785281 OXUWQVLHQSSNJQ-JOCHJYFZSA-N 423.520 4.628 0 40 HJAB COc1cccc(NC(=O)CN(C)C(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 32966480 QTTQTIMSWJZSLX-HSZRJFAPSA-N 420.534 4.626 0 40 HJAB CC(=O)c1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 33012598 DVELPXIDYFDJNB-UHFFFAOYSA-N 413.433 4.624 0 40 HJAB O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 35414103 SFYQCAPQRZATRN-VWLOTQADSA-N 423.516 4.550 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(NC(=O)Nc3cccs3)s2)c1C 35590112 OKHCNSKLCWVILJ-UHFFFAOYSA-N 419.557 4.591 0 40 HJAB Cc1ccc2[nH]c(C(=O)Nc3ccc(C)c(NS(=O)(=O)c4ccccc4)c3)cc2c1 40108865 WODLHLJUDQPRLE-UHFFFAOYSA-N 419.506 4.838 0 40 HJAB CCc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 58115949 SXRQPVILPPSAPZ-KRWDZBQOSA-N 408.523 4.541 0 40 HJAB FC(F)(F)c1nc(SCc2nnc(Cc3ccccc3)o2)c2ccccc2n1 64308421 LLBROJQLYBZHST-UHFFFAOYSA-N 402.401 4.915 0 40 HJAB C[C@H]1Sc2ccc(C(=O)Nc3ccc(-c4noc(C(C)(C)C)n4)cc3)cc2NC1=O 69373331 UBGRNFNPWLMPMF-GFCCVEGCSA-N 422.510 4.719 0 40 HJAB Cc1nn(CCC(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc12 72243352 GFWHFXUUNCWLJF-UHFFFAOYSA-N 410.930 4.828 0 40 HJAB Cc1cccc(CC(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3cc(C)no3)CC2)c1 100743625 YHNVOBYLRZPQPY-TYKWCNGQSA-N 418.541 4.690 0 40 HJAB CC(C)C(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 223058680 WOENWEOQKXQAJO-RUZDIDTESA-N 414.549 4.599 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 223082060 WHUHIFNSBFOXSN-QFIPXVFZSA-N 424.585 4.633 0 40 HJAB COc1ccc(-c2ncc(C(=O)N3CCC(Cc4ccccc4)CC3)c(C)n2)cc1 223144317 UZWVOVBHYUTRQB-UHFFFAOYSA-N 401.510 4.556 0 40 HJAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223350966 GGGDOJVVMQEKPW-VWLOTQADSA-N 400.522 4.525 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@@H](C)c1ccc(F)cc1 223370054 HRWHHHTTZBTQRD-AKGOGDBKSA-N 408.498 4.844 0 40 HJAB O=C(NCC1=CCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 223419197 QVDIGSFUFGXCFS-DEOSSOPVSA-N 406.551 4.691 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223648945 ZSDGFUVHESESLW-UWJYYQICSA-N 400.950 4.605 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 224877191 NPLUEYYVJDCSRE-LJQANCHMSA-N 420.528 4.855 0 40 HJAB O=C(COc1ccc2ccccc2c1Br)NCCSC1CCCC1 225393348 ABFPFNLILCOFOZ-UHFFFAOYSA-N 408.361 4.773 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 225547137 ZTKCQURAEYUDDN-JTHBVZDNSA-N 424.585 4.713 0 40 HJAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCCC2)CC1 257219064 DFMBSNOHIJXKGT-UHFFFAOYSA-N 418.581 4.831 0 40 HJAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(Cn5cccn5)cc4)OCC[C@@]31C2 257318500 VOFBCYWYAFYPBG-ZWYILXQBSA-N 421.585 4.586 0 40 HJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)Nc3ccc(Cl)cc3)c1)C2=O 408721378 GLOKHIBPDGXKPP-FDDCHVKYSA-N 410.901 4.908 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1 409100315 VCIABEKMTHRZNZ-UHFFFAOYSA-N 400.935 4.985 0 40 HJAB Cc1ccc(COc2ccccc2/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1 409232839 SLMIPCNHERQASM-HZHRSRAPSA-N 412.489 4.975 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1C 409410470 XJKUMTSYAFUGLC-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB CC1CCN(C(=O)C[C@@H](CN2Cc3ccccc3C2=O)c2ccc(Cl)cc2)CC1 1565524819 OSKTVJMFLNDEFA-FQEVSTJZSA-N 410.945 4.728 0 40 HJAB Cc1cc(Nc2ncc(Cl)s2)nc(CC2CCN(C(=O)OC(C)(C)C)CC2)n1 2037835061 VDKOFNMPISMVHU-UHFFFAOYSA-N 423.970 4.828 0 40 HJAB Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CC1CCCCC1 2278241 XPHOEKFBKAIRCZ-UHFFFAOYSA-N 420.538 4.580 0 40 HJAB CCCc1cc(=O)oc2cc(OC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)c(Cl)cc12 2389387 IMOUTVNELFJKDM-OAHLLOKOSA-N 423.893 4.608 0 40 HJAB COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)c1 2412540 QREAWJHIMFWYMM-KRWDZBQOSA-N 424.865 4.661 0 40 HJAB COc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 3176369 UFMMAGYTQYHPLB-DEOSSOPVSA-N 418.518 4.722 0 40 HJAB Cc1cc(C(=O)COC(=O)c2cccc(OC(F)F)c2)c(C)n1Cc1cccs1 3351544 RRROFQVLMGSIIB-UHFFFAOYSA-N 419.449 4.856 0 40 HJAB COc1ccc(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)cc1OC 4176175 YWPHSXIRHGUAMX-UHFFFAOYSA-N 409.511 4.505 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1 4309918 SZROQWMUWSYVOU-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB CC(=O)O[C@H]1C[C@@H](C)N(C(=O)c2ccc(Br)cc2)c2ccc(C)cc21 4742666 AULWGLLOQORMQI-YJYMSZOUSA-N 402.288 4.801 0 40 HJAB CCc1cc2c(C)cc(C)cc2nc1SCC(=O)NCc1ccc2c(c1)OCO2 4849456 QICVEWPOTPUHIW-UHFFFAOYSA-N 408.523 4.551 0 40 HJAB CC(=O)Nc1ccc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)cc1 4909637 VXUPPBIZROSUGF-UHFFFAOYSA-N 412.921 4.524 0 40 HJAB Cc1oc(C(=O)N2CCC[C@H]2C(=O)O)cc1COc1ccc2oc3ccccc3c2c1 5126757 PJYHODZLPSZAGQ-IBGZPJMESA-N 419.433 4.756 0 40 HJAB Cc1cc(Br)cc2c1N(Cc1ccccc1OCCC(C)C)C(=O)C2=O 5234858 MQZSHQDJDZWDRV-UHFFFAOYSA-N 416.315 4.912 0 40 HJAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)CSc1cc(Cl)ccc1Cl 5468239 FDVDDMTWZWPZDB-LLVKDONJSA-N 414.310 4.665 0 40 HJAB CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@H]1c1ccc(C(C)C)cc1 5598090 AVFZEEDUYLOQQJ-QFIPXVFZSA-N 420.534 4.771 0 40 HJAB Cc1cc(NC(=S)NC(=O)C(C)(C)C)ccc1NC(=O)c1cc2ccccc2o1 5894902 QDSINKRTEFLTJV-UHFFFAOYSA-N 409.511 4.853 0 40 HJAB CCOC(=O)c1cc(CC)sc1NC(=O)CCCOc1ccccc1OCC 6086070 JICPCTWPIYMLDD-UHFFFAOYSA-N 405.516 4.684 0 40 HJAB COc1ccc(CCNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 6882372 VQYCBNKDQHHOPM-UHFFFAOYSA-N 411.505 4.580 0 40 HJAB CCc1ccc(NC(=O)[C@@H](C)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 7243518 OBDYPDSHIMUBPG-QGZVFWFLSA-N 403.530 4.673 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)o1)c1ccc2c(c1)CCCC2 7830605 JYXWPNOWRYOQRR-CQSZACIVSA-N 411.502 4.724 0 40 HJAB CCCCN1C(=O)CC[C@H](C(=O)N2CCCc3ccccc32)[C@H]1c1ccc(OC)cc1 7989969 KGTPVQPOKCJKOP-WIOPSUGQSA-N 420.553 4.754 0 40 HJAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)/C=C/c1ccc2ccccc2n1 8023727 JJPHFBCGCBOTTK-VAWYXSNFSA-N 404.495 4.798 0 40 HJAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(COc3ccccc3)cc2)c1 8358256 WKIKPPBQUJPZEI-UHFFFAOYSA-N 402.494 4.593 0 40 HJAB Cc1oc2cc(OCC(=O)NC3CCCC3)ccc2c(=O)c1-c1ccc(Cl)cc1 9481664 KVDNWJMIYQZALI-UHFFFAOYSA-N 411.885 4.859 0 40 HJAB CN(C)CCCN(C(=O)Cc1ccc(F)cc1)c1nc2ccc(Cl)cc2s1 9504593 VJOZKBSJMHPGSN-UHFFFAOYSA-N 405.926 4.616 0 40 HJAB CCn1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nnc1-c1ccco1 9578548 LNRFASRDZMMIFK-UHFFFAOYSA-N 412.515 4.730 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c1C 9884139 HSJFGLQYJJOEQK-UHFFFAOYSA-N 420.490 4.820 0 40 HJAB CSc1ncc(C(=O)O[C@@H](C)C(=O)c2cccc(Cl)c2)n1-c1ccc(F)cc1 12544482 KIDCHEJJCMMBGW-LBPRGKRZSA-N 418.877 4.815 0 40 HJAB O=C(NCc1ccc(CN2CCCCC2)cc1)NCc1ccc(OC(F)(F)F)cc1 12779580 IGNVRNSYLDZKGF-UHFFFAOYSA-N 421.463 4.571 0 40 HJAB Fc1ccc(OCc2noc(CN3CCc4sccc4[C@@H]3c3ccccc3)n2)cc1 12867875 GBGJVMNURZQFQQ-QHCPKHFHSA-N 421.497 4.997 0 40 HJAB O=C(Nc1cc(Cl)ccc1C(=O)Nc1ccc2c(c1)OCCO2)c1cccs1 12918819 DZYLROKSZYPOGN-UHFFFAOYSA-N 414.870 4.677 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCc2ccc(Cl)cc2Cl)cc1 13008543 OJPSUDSHIXDYOT-UHFFFAOYSA-N 421.353 4.929 0 40 HJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 14200052 LCTOKLOOSNAQKP-DLBZAZTESA-N 422.554 4.760 0 40 HJAB Cc1nn(Cc2ccccc2F)c(C)c1NS(=O)(=O)c1ccc(CC(C)C)cc1 14233647 KRZYELNGIPYOOE-UHFFFAOYSA-N 415.534 4.687 0 40 HJAB COc1ccc(C(=O)Nc2ccc(N3CCCn4c(nc5ccccc54)C3)cc2)cc1 15107388 IYUMIVQTCDOMHL-UHFFFAOYSA-N 412.493 4.708 0 40 HJAB COc1ccc(-c2nnc(NC(=O)c3ccc(Cl)c(Cl)c3)s2)cc1OC 17251547 NCCFWXMILVSCSG-UHFFFAOYSA-N 410.282 4.781 0 40 HJAB Cc1c(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cccc1C(=O)N1CCCC1 19716506 TVEYGPDYWWHPNF-INIZCTEOSA-N 409.530 4.622 0 40 HJAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(Br)c1 20029886 VKTLMDOWPCCNQM-VIFPVBQESA-N 409.132 4.795 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)cc1 20617523 VTLZTHZCCIAVHM-UHFFFAOYSA-N 422.872 4.962 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 20765623 MLSBLPVUGIMABM-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB COc1cc(CN(C)C(=O)NCCC(c2ccccc2)c2ccccc2)ccc1O 24680655 OJKVLIUFUOVLCY-UHFFFAOYSA-N 404.510 4.764 0 40 HJAB Fc1cccc(-c2nc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)co2)c1 26111928 LCLSYYTXZDVQJK-KRWDZBQOSA-N 411.414 4.669 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H](c2cccs2)N2CCCCC2)c1 27580647 PTGTYAMUAPGYCZ-FQEVSTJZSA-N 400.588 4.902 0 40 HJAB COc1ccc(Cc2nc(-c3cccc(NC(=O)c4ccccc4F)c3)no2)cc1 28222165 FTNAAHOMNIMXQB-UHFFFAOYSA-N 403.413 4.727 0 40 HJAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1csc(COc2ccc(Cl)cc2)n1 30660081 BZOBXNNRYXUVNE-UHFFFAOYSA-N 412.902 4.524 0 40 HJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1cccc(OCC(C)C)c1)CC(O)=N2 32072319 GQPPZEYJFYIHAY-MRXNPFEDSA-N 411.893 4.783 0 40 HJAB COc1ccc2c(C)c(CCC(=O)Nc3nc4c(C)cccc4s3)c(=O)oc2c1 32492615 MGQRBAKSIVVSBI-UHFFFAOYSA-N 408.479 4.599 0 40 HJAB CCCOc1c(Cl)cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1Cl 32594014 GKPRBRIJYNGOQK-QGZVFWFLSA-N 411.329 4.942 0 40 HJAB Cc1occc1-c1nnc(SCc2c(-c3ccccc3)nc3ccccn23)n1C 32672044 GFVAELZKQYRNFI-UHFFFAOYSA-N 401.495 4.991 0 40 HJAB Cc1ccc(C(=O)CSc2nccn(-c3cccc4ccccc34)c2=O)c(C)c1 33039863 XJOCWYKQOFMTDY-UHFFFAOYSA-N 400.503 4.978 0 40 HJAB C[C@@H]1CCCN(C(=O)COc2ccccc2-c2noc(-c3ccccc3Cl)n2)C1 33325243 FUOMYBDPXKFWDH-OAHLLOKOSA-N 411.889 4.694 0 40 HJAB COC(=O)c1c(NC(=O)CSCc2coc(-c3ccccc3)n2)sc(C)c1C 40140500 FJBHZAPUSSVPJP-UHFFFAOYSA-N 416.524 4.678 0 40 HJAB Cc1cccn2cc(-c3ccc(NC(=O)NC[C@H](c4cccs4)N(C)C)cc3)nc12 48300194 GVDTWLUFKDUWGN-HXUWFJFHSA-N 419.554 4.796 0 40 HJAB Cc1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C(C)C)c(=O)c32)cc1C 48988156 WLDVRJBGXGFFIA-UHFFFAOYSA-N 414.509 4.701 0 40 HJAB COc1cccc([C@H]2SCC(O)=Nc3c2cnn3C)c1OCc1ccccc1F 49543902 FLSLCXNXILFQTO-HXUWFJFHSA-N 413.474 4.571 0 40 HJAB Cc1cc(F)ccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@H]1CCCO1 67293028 VWRSNGIFDIACCM-LYYOGKFUSA-N 414.864 4.675 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1 96905112 IKGDUKFGPCBVRT-DEDYPNTBSA-N 418.474 4.523 0 40 HJAB CCc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(O)nc2nc(C)nn32)cc1 102542389 BIMBWASQKQHJLV-KRWDZBQOSA-N 403.486 4.551 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 222704969 GPCADUMYOVHZJS-FQEVSTJZSA-N 408.586 4.822 0 40 HJAB C[C@@H](C(=O)NCc1ccccc1Cl)N(Cc1ccccc1)C(=O)Cc1ccccc1 222761404 UHURLGFIEYIWEV-IBGZPJMESA-N 420.940 4.616 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 223192034 ZAKZIGYSSCGUHG-LJQANCHMSA-N 414.977 4.833 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 223544166 YGSQOOILNDNEGV-KRWDZBQOSA-N 418.990 4.766 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 224849306 YMOJKCQTLPHGCA-GOSISDBHSA-N 416.562 4.560 0 40 HJAB O=C(Nc1ccc(OCCCN2CCOCC2)cc1)C1(c2ccccc2)CCCCC1 225534613 YGFIJWBWUMRKFY-UHFFFAOYSA-N 422.569 4.628 0 40 HJAB CCOCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C)n1 225867755 KASACXJANKNLFL-UHFFFAOYSA-N 400.494 4.785 0 40 HJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]3(C)c2cccnc2)cc1OC 248056681 YWWGNHGZPLSQLC-HYBUGGRVSA-N 401.466 4.515 0 40 HJAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4OC)OCC[C@@]31C2 257247644 IZXLZLKCVBOXHP-AXNFSZQKSA-N 401.547 4.503 0 40 HJAB Cc1cc(Nc2ncc(C)s2)cc([C@H]2CCCN(C(=O)COc3ccccc3)C2)n1 257268707 MMVPDYKUSITGMA-SFHVURJKSA-N 422.554 4.684 0 40 HJAB CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1 408617834 DKICCFNYSTWPNH-UHFFFAOYSA-N 414.571 4.765 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@H]2CC=C(C)C[C@@H]2C1=O 408683901 NRYDBUUBOSIRNT-FPOVZHCZSA-N 416.521 4.909 0 40 HJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)S2)cc1 408782224 GGJMGWPAMXPYPL-BXDIUNCMSA-N 420.490 4.807 0 40 HJAB CCCCN1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2OC)C1=O 409056646 HROCHEHNXMTZKB-GHXNOFRVSA-N 404.713 4.948 0 40 HJAB O=C(Nc1ccc(F)cc1Cl)N[C@H]1CCN(c2ccccc2Br)C1 523594616 WOSRPUANTKDYTK-LBPRGKRZSA-N 412.690 4.642 0 40 HJAB O=C(c1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)cn1)N1CCC[C@H]1C1CCCC1 563671351 URXJUJPIDVCWMH-PKTZIBPZSA-N 409.574 4.671 0 40 HJAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccccc2Cl)C1 585262249 XHZSFPULUIVOSO-VWPQPMDRSA-N 405.897 4.983 0 40 HJAB CCC(CC)C(=O)N1CCCCN(CC)C(=O)c2ccccc2OC[C@@H]1C(C)C 643567067 OOHPKRLVFPBVDI-OAQYLSRUSA-N 402.579 4.611 0 40 HJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1ccc(OC(F)(F)F)cc1 1775966589 NJWDLOMEBDNYOB-GOSISDBHSA-N 407.413 4.777 0 40 HJAB O=C(OCCF)N1CCC([C@H]2CCCCN2Cc2ccc(F)cc2Cl)CC1 2056225722 ZWIFEQZRJLRIEK-LJQANCHMSA-N 400.897 4.652 0 40 HJAB COc1ccc(C(=O)CSc2nnc(COc3cccc4ccccc34)o2)cc1 869026 NJNDPCLIOXOVJA-UHFFFAOYSA-N 406.463 4.785 0 40 HJAB Cc1cccc([C@@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3cc(O)c(Cl)cc32)c1 881881 NBAYWFCTEMAGSW-YCRPNKLZSA-N 402.947 4.611 0 40 HJAB Cc1cc(/C=C2/C(=O)N(c3cc(Cl)cc(Cl)c3)C(=S)N=C2O)c(C)n1C 1177864 LQTXFBVGLTZZKS-PJQLUOCWSA-N 408.310 4.620 0 40 HJAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Br)cc1 2264035 ZFWMWIUCNBPDOG-KOSHJBKYSA-N 412.264 4.535 0 40 HJAB CCc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 3170689 XPJQZBSZUIZIFH-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB CCc1ccc(C(=O)O[C@@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1 3266907 GLAUUZJOTURYEV-HSZRJFAPSA-N 401.462 4.988 0 40 HJAB CC(C)c1ccc(-c2csc(NC(=O)CSCC(=O)N3CCCCC3)n2)cc1 4105561 MZCHBGLNWBHKGZ-UHFFFAOYSA-N 417.600 4.618 0 40 HJAB Cc1ccc(Cn2nnc3c(SCc4cccc(C(F)(F)F)c4)ncnc32)cc1 4166391 UKSHMHRYGIACLM-UHFFFAOYSA-N 415.444 4.889 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](O)[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 4292983 RPBAJJRDQPLSHK-FDGNHSLOSA-N 406.607 4.566 0 40 HJAB CCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2c(oc3ccccc32)c1=O 4852704 YGGHVWXZQYJBIK-UHFFFAOYSA-N 421.522 4.900 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nccn(-c3ccc(C)c(Cl)c3)c2=O)c1 4853074 CKTDUPHWPLRDKC-UHFFFAOYSA-N 413.930 4.542 0 40 HJAB Fc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 4931877 NNYPZDZNCUZTQH-RDPSFJRHSA-N 402.425 4.839 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)N3CCCCC3)nc2-c2ccc(C)cc2)cc1 5358333 MHHKBEBAPCSMIV-UHFFFAOYSA-N 418.566 4.927 0 40 HJAB CCOc1ccc(CN2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 6595702 AVGUOYKVSMTJDN-VWLOTQADSA-N 420.597 4.779 0 40 HJAB CSc1ncccc1C(=O)O[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 7657188 SSXWUEIYNWLELR-FQEVSTJZSA-N 406.507 4.957 0 40 HJAB CCOc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cnn(Cc3ccccc3)c2)cc1 8271589 IQDKBSBNYHRTTI-RLMNYEENSA-N 401.510 4.707 0 40 HJAB C[C@@H](NC(=O)CSc1nc(-c2ccccc2)cs1)c1ccc2c(c1)OCCO2 8362574 NTLQTOOVTCEGJS-CQSZACIVSA-N 412.536 4.551 0 40 HJAB CC[C@H](C)[C@H](C(=O)Nc1cc2c(cc1Br)OCCO2)c1ccccc1 8404840 DRGVEJQXIWCSTB-DJJJIMSYSA-N 404.304 4.989 0 40 HJAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cccnc1Sc1ccccc1 8429804 ZFPUBWKAWXBJDR-JOCHJYFZSA-N 403.551 4.800 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 9586494 OLXYUMRLVJEZMB-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(NCc2ccccc2)s1)c1cc2ccccc2o1 9792471 NGWKSJAXFZLZHC-CQSZACIVSA-N 424.551 4.866 0 40 HJAB Cc1ccc(Cn2c(=O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c3ccccc32)cc1 10156761 WWAYMGWCDKMDMH-UHFFFAOYSA-N 411.288 4.816 0 40 HJAB Cc1nc(-c2cccs2)sc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 11083833 NTCRLABTEVUXTR-UHFFFAOYSA-N 408.552 4.697 0 40 HJAB CCOc1c(Br)cc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1OC 11211710 HADCGAKQFCEWNK-GOSISDBHSA-N 404.304 4.738 0 40 HJAB C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1Br 12689259 NCWOZBHWNWBOAS-MRXNPFEDSA-N 401.348 4.926 0 40 HJAB C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N(C)Cc1ccc2c(c1)OCO2 12897976 JETQNSUEVZOAGV-LLVKDONJSA-N 414.811 4.547 0 40 HJAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(-c2ccccc2F)o1 13102691 BCOSHFJZHCBFJG-UHFFFAOYSA-N 423.469 4.784 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(C3CC3)nn2-c2ccccc2)c(OC)c1 14066450 YMWYDZBMGJPLOB-QFIPXVFZSA-N 417.509 4.744 0 40 HJAB O=C(COc1ccc(Cl)cc1Br)Nc1cccc(Br)c1 14553002 MQPPFVDYXAATOF-UHFFFAOYSA-N 419.500 4.883 0 40 HJAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)cc1 15554492 PNEYOUKNUZVMFW-HNNXBMFYSA-N 409.511 4.937 0 40 HJAB Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)n1 19117805 DPENESAZKJZSQX-QGZVFWFLSA-N 417.538 4.718 0 40 HJAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CCC3CCCC3)C1)N2 19127705 MTEDJVWDTAQFDN-FGTMMUONSA-N 412.500 4.688 0 40 HJAB CC(C)Nc1ncc(-c2cccnc2)c(C2CCN(Cc3ccccc3F)CC2)n1 19450340 HPILKWNORSCBNM-UHFFFAOYSA-N 405.521 4.878 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)/C=C/c1cccc(Br)c1 19617779 UQVAMQRKTXYCOT-OUKQBFOZSA-N 424.342 4.923 0 40 HJAB CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2C(=O)c2cccc3cccnc23)n1 19689371 QGBKWGQCMUGBCV-QFIPXVFZSA-N 423.520 4.735 0 40 HJAB COc1ccc(CCN2CN=C(c3ccccc3)N(c3cccc(C)c3)C2)cc1OC 19960672 VCVXSPDQBNWXPU-UHFFFAOYSA-N 415.537 4.739 0 40 HJAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 24005766 WXDYSSNJXOSIDA-SFHVURJKSA-N 404.535 4.778 0 40 HJAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N2CCCCC2)cc1 28288944 BDSHNDIQEMXYKU-FQEVSTJZSA-N 424.928 4.712 0 40 HJAB CCOc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 30173468 QHDSKXWGODKYOU-NRFANRHFSA-N 404.466 4.608 0 40 HJAB Cc1ccc(S(=O)(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)c(Br)c1 30368521 XBZYMWQJWXDDEK-XJKSGUPXSA-N 424.360 4.827 0 40 HJAB C[C@H](NC(=O)c1nn(-c2ccccc2F)cc1Br)c1cccc(Cl)c1 32932166 BYLBBPBBDGAOGQ-NSHDSACASA-N 422.685 4.918 0 40 HJAB Cc1ccc(-c2cc(C(=O)N[C@H](c3ccc(Cl)cc3)c3nccn3C)on2)cc1 33161236 LEAHUYQWTDCFDL-HXUWFJFHSA-N 406.873 4.556 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1Cl 35168199 SCDUXNXMRYMELU-UHFFFAOYSA-N 424.353 4.729 0 40 HJAB Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@H](C)n3cnc4ccccc43)cn2)c1 40112469 GRELPDODZMWZOT-SFHVURJKSA-N 400.482 4.718 0 40 HJAB Cc1cc(C)n(-c2cccc(NC(=O)COc3cccc(Oc4ccccn4)c3)c2)n1 40134060 ANRVZSJCMFXVPX-UHFFFAOYSA-N 414.465 4.694 0 40 HJAB CC[C@@H](C)[C@H](NC(=O)c1sc(-c2c(Cl)cccc2Cl)nc1C)C(=O)O 40285325 XXMCJZKVYVTFMI-OQPBUACISA-N 401.315 4.654 0 40 HJAB CCc1nn2c(nnc3c(=O)n([C@@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccccc1 40388368 CGVGSAQYWHRPKT-JTDSTZFVSA-N 401.514 4.666 0 40 HJAB CC(=O)c1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc23)cc1 49005452 NHCLWBGEXLREFS-UHFFFAOYSA-N 402.498 4.757 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC[C@@H]2c2ccccc2C)cc1 58413099 PACGISHDDYBCTL-HXUWFJFHSA-N 406.555 4.978 0 40 HJAB O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)c1ccc(Br)cc1 59475015 HFEOLUKOLSKLHC-UHFFFAOYSA-N 413.300 4.625 0 40 HJAB CCOc1ccccc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1cccc(C)n1 67297863 VKKHSKKPJHFFMV-LCUIJRPUSA-N 415.449 4.725 0 40 HJAB Cc1nc(-c2cccc(NC(=O)c3coc(NC(=O)c4cccs4)n3)c2)cs1 70848918 NHTCQZOICVNHQC-UHFFFAOYSA-N 410.480 4.673 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 72358967 VGYDMARFELZQGK-KRWDZBQOSA-N 414.484 4.713 0 40 HJAB Cc1nc(NCCCN(C)c2ccccc2)cc([C@H](C)Cn2nc(C)c(C)c2C)n1 72373195 XKOSZPNEZUIPGZ-QGZVFWFLSA-N 406.578 4.649 0 40 HJAB CCn1cc(-c2cc(C(=O)N[C@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c3ccccc3n2)c(C)n1 101596813 APRSLILKLAXMSM-DLVXIWMQSA-N 402.542 4.981 0 40 HJAB CC(C)Oc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 113938410 JSOJODABIBOPLS-UHFFFAOYSA-N 424.522 4.551 0 40 HJAB CCOc1cc(-c2nnc(N)o2)cc(Br)c1OCc1ccc(Cl)cc1 216824800 TXWGNYLVMHNIQT-UHFFFAOYSA-N 424.682 4.712 0 40 HJAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 219675136 GHTVZNDURRBHSD-HNNXBMFYSA-N 408.361 4.574 0 40 HJAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 222834852 NNZRGRPMWLSSLM-OAHLLOKOSA-N 407.341 4.683 0 40 HJAB CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223121903 AXYCGYIJPIKSOF-QFIPXVFZSA-N 400.950 4.606 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 223268537 WRXYYNPYMVMVBE-NRFANRHFSA-N 414.977 4.913 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 223440656 CAJDIFGRYUWUHQ-JOCHJYFZSA-N 412.549 4.707 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)ccc1Cl 224849659 SYTKFFZFNPJUGP-SFHVURJKSA-N 400.950 4.718 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 225015552 KPISSBCHDZMNSS-WOJBJXKFSA-N 412.599 4.809 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)n2)cc1 225090237 HWVVFFOLSWUVCI-SFHVURJKSA-N 407.514 4.903 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 225094493 YHGJIAQFCWCULV-WOJBJXKFSA-N 412.599 4.728 0 40 HJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 225880171 HWUZXWZEGOURKM-KRWDZBQOSA-N 421.946 4.854 0 40 HJAB Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)CC(C)C)CC1 257275268 NOQDZNODJNFOPK-UHFFFAOYSA-N 420.597 4.948 0 40 HJAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)c1 408643300 RDZMPVIIRCNKMV-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB COc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl 408939817 ULIAQVYAKHVXMR-NVNXTCNLSA-N 411.672 4.748 0 40 HJAB Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1C1CC1 409133241 PLWYYGKNUBSONZ-UNOMPAQXSA-N 400.475 4.694 0 40 HJAB Cc1nc(S/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)O)n[nH]1 409188955 LJLJXNBDWZCNQA-GRSHGNNSSA-N 424.913 4.987 0 40 HJAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1O 409410904 ADXPQJUBRKZBMD-UHFFFAOYSA-N 423.325 4.708 0 40 HJAB CC(=O)Nc1ccc([C@H]2C[C@@](C)(NC(C)=O)C[C@@H](c3cccc(Cl)c3)O2)cc1 585262259 ANMSDJQWLPLDMD-BHIFYINESA-N 400.906 4.786 0 40 HJAB Cc1nn(-c2cccc(F)c2)c2nc3c(c(N)c12)C(=O)C[C@H](c1ccc(F)cc1)C3 618256262 HAGBVTPDSWEUIJ-CQSZACIVSA-N 404.420 4.502 0 40 HJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2cc(Cl)cc3c2OCC3)c1 1521023603 CFPPJSJIRMOSPI-UHFFFAOYSA-N 402.878 4.552 0 40 HJAB Cc1cccc(C(=O)N2CCc3cc(-c4csc(NC(=O)C5CC5)n4)ccc32)c1 1355754 LTQMUXSRXDWVEG-UHFFFAOYSA-N 403.507 4.670 0 40 HJAB C[C@@H]1C(=O)N(Cc2ccccc2F)c2ccccc2N1C(=O)c1c(F)cccc1F 1385983 VVBOHPCIPRBQGF-CQSZACIVSA-N 410.395 4.686 0 40 HJAB O=C(Nc1cccc(Cl)c1)Nc1cc2c(cc1[C@H](O)c1ccccc1)OCCO2 1443704 HSWFGWKFYADUPF-OAQYLSRUSA-N 410.857 4.837 0 40 HJAB CCCCOc1ccc(-n2c(N)c(C(=O)OCC)c3nc4ccccc4nc32)cc1 2278240 WVTAGOFWWLRDDX-UHFFFAOYSA-N 404.470 4.512 0 40 HJAB Cc1c(NC(=O)/C(=C/c2cccs2)c2cccs2)c(=O)n(-c2ccccc2)n1C 3236349 OQHNMNBMYYBRQV-NBVRZTHBSA-N 421.547 4.787 0 40 HJAB O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)Nc1ccccc1C(F)(F)F 3333151 MWMYRIRWXYMPMO-UHFFFAOYSA-N 416.399 4.861 0 40 HJAB Clc1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1Cl 3364600 KPBBCWDQRZYWTR-UHFFFAOYSA-N 418.309 4.976 0 40 HJAB CCC(=O)OC[C@@]12CO[C@@H](c3ccccc3OC(=O)CC)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 4029250 SILOCWNFXQCZOK-SBWRPUSSSA-N 400.515 4.861 0 40 HJAB Cc1c(-c2cccc(NC(=O)c3ccc(Br)cc3)c2)nc2ncccn12 4033202 VHYBMTJJLULCOZ-UHFFFAOYSA-N 407.271 4.720 0 40 HJAB CCOCCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)c1cccc(C)c1 4861271 OOCSJQIQXMQOPA-UHFFFAOYSA-N 406.526 4.522 0 40 HJAB CN(C)C[C@@H](CCCC[C@H](CN(C)C)C(=O)c1ccccc1)C(=O)c1ccccc1 4871774 VSMBPTAACRCDOF-DNQXCXABSA-N 408.586 4.668 0 40 HJAB CC(C)(C)c1ccc(C(=O)N(c2ccc(Cl)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 5070583 HULCPZJLNPMHHJ-LJQANCHMSA-N 403.931 4.595 0 40 HJAB COc1ccccc1NC(=O)N(Cc1nnc2n1CCCCC2)c1cccc(C)c1C 5223528 GRPDOSNCNVUSEY-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB CCOc1ccc(-c2nnc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)o2)cc1 5561324 ZBPDTLCSOSQEBP-HXUWFJFHSA-N 423.538 4.981 0 40 HJAB CC(=O)Nc1ccc(C2=NN=C(Nc3ccc(SC(F)F)cc3)SC2)cc1 5689025 SIQKCJYQSGXKNW-UHFFFAOYSA-N 406.483 4.879 0 40 HJAB COc1ccccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 5750758 IQZAVKIXQNYLMR-SFHVURJKSA-N 410.857 4.698 0 40 HJAB C[C@@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 5974235 USPNTVYYJZCREP-ALFMTBLISA-N 421.459 4.735 0 40 HJAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(OCC)c2)c1 6263892 MOIGPONDFFWPOK-UHFFFAOYSA-N 419.934 4.604 0 40 HJAB Cc1cc2c(cc1Br)C(=O)[C@](CO)(Sc1ccc(Cl)cc1)CO2 6787671 KSBRZKKKMQBCLX-QGZVFWFLSA-N 413.720 4.509 0 40 HJAB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O 6951223 LHCMHSOBFAVZGT-CXUHLZMHSA-N 409.244 4.624 0 40 HJAB Cc1ccc(/N=C2/NC(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)S2)c(C)c1 6964491 NKPYIEDJOFXDNU-MOSHPQCFSA-N 417.490 4.684 0 40 HJAB C[C@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1ccc(Cl)c(Cl)c1 7346463 OIPZJRXPPCTRFK-ZDUSSCGKSA-N 409.338 4.892 0 40 HJAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)o2)c1 7540534 OODQUTJOMDILOS-UHFFFAOYSA-N 423.509 4.578 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2CC)C1 7881970 FUJKMJRYTUWQNL-INIZCTEOSA-N 415.331 4.566 0 40 HJAB COc1ccc(C(=O)Nc2nc3ccc4nc(SC)sc4c3s2)c(OC)c1 9404740 NSAYOXWLQHYONB-UHFFFAOYSA-N 417.537 4.897 0 40 HJAB CCc1ccc(-n2nc3ccc(NC(=O)c4cccc(Br)c4)cc3n2)cc1 9906399 WKULMQCAQVICSF-UHFFFAOYSA-N 421.298 4.998 0 40 HJAB CC(C)n1ncc2c(C(=O)N(C)Cc3nc4ccccc4s3)cc(C3CC3)nc21 10287014 WLXGVPZLSFXKDL-UHFFFAOYSA-N 405.527 4.772 0 40 HJAB CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10324528 HJNFHLBNKDQHDW-OAHLLOKOSA-N 422.978 4.566 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10445258 QVRMVVGBRSQFOG-CQSZACIVSA-N 421.324 4.638 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)ccc2F)nnc1-c1cc2ccccc2o1 10681825 BKLWYKFBQVWWGY-UHFFFAOYSA-N 410.474 4.890 0 40 HJAB CCCOc1c(Br)cc(C(=O)Nc2cc(OC)ccc2OC)cc1OC 12790519 UHGMIBKVDYCMGQ-UHFFFAOYSA-N 424.291 4.516 0 40 HJAB C[C@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 12811789 YBSXZHWGYQDEGQ-HNNXBMFYSA-N 409.515 4.700 0 40 HJAB Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)cc1 13212978 RFOPSMHGICGNHZ-YADHBBJMSA-N 413.868 4.539 0 40 HJAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(-c2nc3ccccc3o2)cc1 14801933 URWIQTAFKVFMSI-UHFFFAOYSA-N 413.433 4.822 0 40 HJAB COc1ccc(NC(=O)c2sc3c(c2C)[C@@H](c2cccc(F)c2)CC(=O)N3)cc1 15106638 HWDQYAGZWUOJCI-QGZVFWFLSA-N 410.470 4.931 0 40 HJAB COc1cccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)c1 16841098 QZFVDQNQSFJJRY-UHFFFAOYSA-N 419.300 4.844 0 40 HJAB COc1cccc(-c2nn(Cn3cc(Cl)cn3)c(-c3cccc(OC)c3)c2C)c1 17088131 WQKBGAUSDQBVSR-UHFFFAOYSA-N 408.889 4.898 0 40 HJAB COc1ccc(Nc2nc(N3CCC(C)CC3)nc3c2cnn3-c2ccccc2)cc1 17246115 ZCEQOAAMEUBXHQ-UHFFFAOYSA-N 414.513 4.804 0 40 HJAB O=C(C1CCCC1)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19373282 AYFFASYHPUJKLC-FQEVSTJZSA-N 413.525 4.788 0 40 HJAB COc1ccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(Cc4ccsc4)C[C@H]23)cc1 19557788 OCMZQLZTVRFGDY-WXFUMESZSA-N 424.610 4.763 0 40 HJAB O=C(Nc1nnc(CCc2ccccc2)s1)c1cnc(-c2ccc(Cl)cc2)nc1 19655025 IINRUKCQYZBXNS-UHFFFAOYSA-N 421.913 4.686 0 40 HJAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1cc(Cl)ccc1Cl 19937622 UYBIYRCOCLXOGL-UHFFFAOYSA-N 408.672 4.578 0 40 HJAB Cc1ccc(COc2ccc3ccccc3c2CNCCCN2CCOCC2)cc1 20874162 QHCTWLXJYWLGHJ-UHFFFAOYSA-N 404.554 4.539 0 40 HJAB COc1ccc(OC)c(Nc2nc(Nc3cccc(Cl)c3)c3cnn(C)c3n2)c1 21873505 JWBJORYYVUORRP-UHFFFAOYSA-N 410.865 4.521 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(F)cc1Br 22192250 OYUFMQUIQCOBAC-UHFFFAOYSA-N 419.275 4.899 0 40 HJAB CN(Cc1nc2ccccc2s1)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S 23850849 FZAYLRCOHJBOIE-UHFFFAOYSA-N 415.975 4.971 0 40 HJAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 24045536 XIVFMTURHHYSQW-LSDHHAIUSA-N 420.340 4.671 0 40 HJAB COc1ccc(CN(C(=O)c2cc(Br)ccc2Cl)C2CC2)c(OC)c1 25292013 PLPAMQKBRPCSMG-UHFFFAOYSA-N 424.722 4.925 0 40 HJAB Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)oc2c1 28291730 NSGDPLACTDAUIR-GOSISDBHSA-N 410.539 4.510 0 40 HJAB CC(=O)N[C@@H](CC(=O)Nc1ccc(C)cc1Br)c1ccccc1Cl 32922395 BXUNTMBCDGGRSE-KRWDZBQOSA-N 409.711 4.617 0 40 HJAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 32978410 LXZGZRNLLNWZOX-DYESRHJHSA-N 404.535 4.897 0 40 HJAB CC(C)c1ccc(OCc2nnc(SCc3cc(=O)c4ccccc4[nH]3)n2C)cc1 33064317 BLDJPIOLGSTCHV-UHFFFAOYSA-N 420.538 4.651 0 40 HJAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 33570572 YCPROLJDXVMZKK-MSOLQXFVSA-N 418.493 4.592 0 40 HJAB COc1ccc(NC2=NC(=O)/C(=C\c3cccc(Br)c3)S2)c(OC)c1 35043381 YDOGSFXAHBKDRF-CXUHLZMHSA-N 419.300 4.549 0 40 HJAB O=C(Nc1ccnn1-c1ccc(F)cc1)c1cc(C2CC2)nc2onc(C3CC3)c12 36617346 ZVCAXOBAAQSERR-UHFFFAOYSA-N 403.417 4.555 0 40 HJAB Cc1ccc(SCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 39767232 FZHJCDQYALJTRY-UHFFFAOYSA-N 402.991 4.769 0 40 HJAB CCc1nn2c(ncc3c(=O)n(Cc4ccc(C)cc4)ccc32)c1-c1ccc(F)cc1 40396728 WTKLGZLPKYAEQN-UHFFFAOYSA-N 412.468 4.769 0 40 HJAB CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)c1ccccc1C 48300618 NOQRPEQMNRINRN-UHFFFAOYSA-N 408.571 4.886 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C)c2ccccc12 60512558 ZBAIQEJZQJOJPB-UHFFFAOYSA-N 406.301 4.720 0 40 HJAB CCCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2cc(C)[nH]c2c1=O 67238400 IGLYMWYLMMZHNS-UHFFFAOYSA-N 418.950 4.526 0 40 HJAB CC[C@H](C)n1c(SCC(=O)Nc2ccc(C)cc2Cl)nc2cc(C)[nH]c2c1=O 67238904 RKYITWIXWTVVPB-ZDUSSCGKSA-N 418.950 4.697 0 40 HJAB CN(C)c1ccc(-n2c(SCc3ccc(F)cc3)nc3ccccc3c2=O)cc1 67259075 JAFFWUYRVRXZKG-UHFFFAOYSA-N 405.498 4.883 0 40 HJAB Cc1cc(C)cc(C[C@H](CC(=O)Nc2ccc(C)c(Br)c2)C(=O)O)c1 71405944 QBJPOFFNHHGIBO-MRXNPFEDSA-N 404.304 4.646 0 40 HJAB O=C([C@H]1CC(c2ccc(Cl)cc2Cl)=NO1)N(C[C@@H]1CCOC1)c1ccccc1 84549113 VANLLKCRTJYHPA-VBKZILBWSA-N 419.308 4.556 0 40 HJAB C[C@@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)/C=C/c1ccccc1)c1ccccc1 95951574 RQUOXSVJZAAWGN-WVCMQLSOSA-N 422.569 4.791 0 40 HJAB COCc1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1F 108149054 WOFYHOGQPXSWAM-NRSPTQNISA-N 406.542 4.630 0 40 HJAB C[C@H]1CC[C@@H]2[C@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@@H](O)[C@@]43C)N2C1 118915635 AANKDJLVHZQCFG-SSXAIVMPSA-N 413.646 4.626 0 40 HJAB in-vitro CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118924504 AELZDZIWKOZSSW-LYRMGMTHSA-N 418.574 4.709 0 40 HJAB COC(=O)CC[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@@]21C 119071858 ZHUOOEGSSFNTNP-OYULASKASA-N 406.607 4.566 0 40 HJAB O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1Cc1ccc(Cl)cc1Cl 214385346 CMKBNCCOALMENB-OMCISZLKSA-N 408.262 4.959 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12 222531587 HSEFQSNCFHUYAG-QGZVFWFLSA-N 408.929 4.589 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)cn3)N21 222710295 CPDXFKXKNFYYKO-UIAACRFSSA-N 409.946 4.900 0 40 HJAB C[C@H](C(=O)NCc1ccccc1Cl)N(Cc1ccccc1)C(=O)Cc1ccccc1 222761471 UHURLGFIEYIWEV-LJQANCHMSA-N 420.940 4.616 0 40 HJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 222940482 XQTNYLBJFJVKIN-FQEVSTJZSA-N 407.514 4.816 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 223161847 OIKXISDFYZFHJO-HXUWFJFHSA-N 400.950 4.605 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCCCCC3)cc2C)cc1 224208698 OZYMRMPMPAZMBP-UHFFFAOYSA-N 414.571 4.581 0 40 HJAB CN(c1ccc(C(=O)Nc2cccc(F)c2)c(Cl)c1)S(=O)(=O)c1ccccc1 224231970 IOETXCQOZQYWJO-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)cc1Cl 224947721 GUJHJCZKORRSBY-ZWKOTPCHSA-N 401.944 4.982 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc[nH]2)N1c1ccc(OC2CCCC2)cc1 225361881 MCQHNRCVRMUYDV-VXKWHMMOSA-N 404.539 4.908 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCCSCc2ccc(F)cc2)c1C 225615893 XZVNQNXJHOKYHE-UHFFFAOYSA-N 420.575 4.921 0 40 HJAB CC(C)c1nc(Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)no1 226092567 NHIZFUDGPPPCNX-UHFFFAOYSA-N 400.276 4.799 0 40 HJAB Cc1cccc(Nc2ccccc2C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)c1C 681684865 WHLAJALIMWVBDA-AREMUKBSSA-N 411.505 4.783 0 40 HJAB C[C@@H](C(=O)Nc1ccc(-c2ccccc2F)nn1)c1ccc(Br)cc1 1539916108 WAOMPSYGWICRNX-GFCCVEGCSA-N 400.251 4.787 0 40 HJAB Nc1c(C(=O)Nc2ccccc2OC(F)(F)F)sc2nc3c(cc12)CCCC3 663231 BCRRWEDIHLKXRB-UHFFFAOYSA-N 407.417 4.908 0 40 HJAB CCOC(=O)COc1cc2c(C(=O)OCC)c(C)n(CC(C)C)c2c2ccccc12 709113 FFHDXDIRTCPSPS-UHFFFAOYSA-N 411.498 4.878 0 40 HJAB CCOc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 919417 HLYLZYPGKWALCA-GUYCJALGSA-N 420.391 4.787 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2Oc2nc3ccccc3nc21 984208 YYTGPIRGEJLTHD-UHFFFAOYSA-N 409.854 4.916 0 40 HJAB aggregator COC(=O)c1cc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)oc1C 1428962 FOGKBHDSGHKLCC-UHFFFAOYSA-N 405.479 4.915 0 40 HJAB CCCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)cc1 2084858 BCDITPKABGOGEN-UHFFFAOYSA-N 401.528 4.774 0 40 HJAB CC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@H](c1ccc(Cl)cc1)N2 2424352 PDZVGUBLBINTCB-SJORKVTESA-N 402.285 4.690 0 40 HJAB COc1cc(C(=O)Nc2nc3ccccc3s2)ccc1OCc1c(C)noc1C 2645802 IEXKZJQJUGQCFA-UHFFFAOYSA-N 409.467 4.741 0 40 HJAB COc1ccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(OC)ccc32)cc1 2687714 DPFHYUWFZBSFBA-UHFFFAOYSA-N 413.473 4.606 0 40 HJAB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)NC1CCCC1 3275454 XWASWIMYACWLBG-UHFFFAOYSA-N 408.885 4.771 0 40 HJAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 3345975 IOJCAXYRPDLEBN-HXUWFJFHSA-N 412.411 4.685 0 40 HJAB CC(C)(C)N1C(=O)c2ccccc2NC(=O)N1Cc1ccc(Br)cc1 4108568 QOEQURFXYOKDPJ-UHFFFAOYSA-N 402.292 4.653 0 40 HJAB CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccc(Cl)cc1 4274939 INVFDUBQQVGYJW-LBPRGKRZSA-N 411.918 4.708 0 40 HJAB O=C(Nc1ccccc1)C1CCC(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1 4543599 VFGSDZITFFPDIN-UHFFFAOYSA-N 417.292 4.787 0 40 HJAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)NCC1CCCCC1 4596938 JFNRMGRGKJCZDK-CQSZACIVSA-N 402.539 4.596 0 40 HJAB COc1ccccc1OCCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1OC 4698998 JYDGFVLJSGLXLF-XDJHFCHBSA-N 417.461 4.654 0 40 HJAB C[C@@H](NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1)c1ccccc1 5176095 BVTBKDBXPZZMBZ-GFCCVEGCSA-N 405.545 4.772 0 40 HJAB CC(=O)S[C@H]1CC2=CC(=O)CC[C@@]2(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@]34CCC(=O)O4)[C@@H]12 5273790 LXMSZDCAJNLERA-UOXCPMPDSA-N 416.583 4.852 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)c(C)c1 6606854 ZQKNNBSKYOCOGC-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CCOc1cc(C[C@@H]2SC(=O)N(CC)C2=O)ccc1OCc1cccc(Cl)c1 6952441 YKTISYVCWAYZNN-IBGZPJMESA-N 419.930 4.944 0 40 HJAB O=C(c1cnc(Cl)c(Cl)c1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 7670568 KADBOJHXRYVSAX-GFCCVEGCSA-N 408.310 4.824 0 40 HJAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c1 7881864 ASYHRLFUNCEEIK-SFHVURJKSA-N 416.477 4.788 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)c(C)c1 7928079 QJMKYXQPXSEOJD-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB CCCCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CC)c1 8845829 NKVGSOZEYPDHIJ-HSZRJFAPSA-N 405.498 4.916 0 40 HJAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(F)cc3)ccc21 8959269 FASXVLPMKMXHJR-UHFFFAOYSA-N 412.505 4.805 0 40 HJAB CC(C)(C)[C@H]1CCc2c(sc3ncc(NC(=O)c4ccccc4Cl)c(=O)n23)C1 9029123 UVMBRIBAYGVMRC-LBPRGKRZSA-N 415.946 4.813 0 40 HJAB Cc1[nH]c(SCC(=O)Nc2ccccc2N2CCCC2)nc1Cc1ccccc1 9467502 LOUSUTWNOKLHPG-UHFFFAOYSA-N 406.555 4.640 0 40 HJAB COc1ccc(Nc2nnc(SCC(=O)Nc3cccc4ncccc34)s2)cc1 10083850 QTWUWIGLMKOZKW-UHFFFAOYSA-N 423.523 4.569 0 40 HJAB CCOc1ccc(-c2csc(NC(=O)CSc3ccc(OC)cc3)n2)cc1 10219184 OMWJPODQYXOPEQ-UHFFFAOYSA-N 400.525 4.948 0 40 HJAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)cnc12 10422502 NLFYBOHDEDWSCX-UHFFFAOYSA-N 424.460 4.542 0 40 HJAB O=S(=O)(Cc1cccc(Cl)c1)NCc1ccc(OCc2ccc(F)cc2)cc1 10543801 SQJWSHZPIJAPKR-UHFFFAOYSA-N 419.905 4.678 0 40 HJAB CCCOc1ccccc1C(=O)Oc1ccc(C(=O)OCCOc2ccccc2)cc1 10715339 DJSABVGRKHEGMO-UHFFFAOYSA-N 420.461 4.930 0 40 HJAB CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 11565863 HQBUHRAMRMTXJV-UHFFFAOYSA-N 405.516 4.662 0 40 HJAB Cc1cccc(N2C(=O)S/C(=C3/SC(=O)N(c4cccc(C)c4)C3=O)C2=O)c1 12136832 WDWKUDMRJJRYGN-FOCLMDBBSA-N 410.476 4.615 0 40 HJAB CCc1ccc(-n2c(SCc3nc(CC(C)C)no3)nnc2-c2ccncc2)cc1 12593467 CPQFAIUGWWSCOM-UHFFFAOYSA-N 420.542 4.766 0 40 HJAB C[C@H]1CCc2c(sc3nc(CCN[C@H](C)c4ccc(F)cc4F)nc(N)c23)C1 12684262 JTVDERKBSCMVDE-NWDGAFQWSA-N 402.514 4.570 0 40 HJAB Cc1nnc(SC2=C3CCCC[C@]3(c3ccccc3Cl)N(C)C2=O)n1C1CC1 12750230 HCDJLWSATAYWTC-OAQYLSRUSA-N 414.962 4.863 0 40 HJAB O=C([C@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCN(Cc2ccccc2)CC1 12807177 FYKZCIILUHSYDV-RTWAWAEBSA-N 417.578 4.691 0 40 HJAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3)n2C)cc1 13871289 XEESQINBTFEDDX-MRXNPFEDSA-N 410.543 4.557 0 40 HJAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 14117594 YTGNBIUHHLJGPX-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1 14257214 ZZVNUGFSVSEWAP-UHFFFAOYSA-N 418.312 4.829 0 40 HJAB C[C@H](OC(=O)c1cccnc1Sc1ccccc1)C(=O)N[C@@H](C)c1ccc(F)cc1 15127415 QLAJTAHBLUEALX-HOTGVXAUSA-N 424.497 4.795 0 40 HJAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 17091665 ZOANRDIZWVJHDN-UHFFFAOYSA-N 418.824 4.503 0 40 HJAB CC(=O)N(C)C1CCC2(CC1)CN(Cc1ccccc1Cl)Cc1ccccc1O2 19016295 PZQASHDRBLOCMX-UHFFFAOYSA-N 412.961 4.894 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2cccc(F)c2)n1 19525587 IMBKMLLVMUAHFE-OAQYLSRUSA-N 404.489 4.998 0 40 HJAB CN(C)C(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C(C)(C)C)CC1 19700083 PCMIBRAPTKGVCV-UHFFFAOYSA-N 424.560 4.778 0 40 HJAB COCc1cc(CN2CCC[C@H](c3ccc4c(C)nn(C)c4n3)C2)ccc1OC(C)C 19742509 YXCXPUAYPZSVCG-FQEVSTJZSA-N 422.573 4.590 0 40 HJAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20583535 HBTDOYUCKOWXSZ-UHFFFAOYSA-N 424.522 4.745 0 40 HJAB Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(-c4ccc(N(C)C)cc4)nc3c12 21801716 DYIMHKRCIGTJKL-UHFFFAOYSA-N 400.461 4.557 0 40 HJAB COc1ccc(CC(=O)Nc2cccc(-c3noc(-c4ccccc4OC)n3)c2)cc1 28221903 XHBHIDUULHYIEA-UHFFFAOYSA-N 415.449 4.602 0 40 HJAB COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(C)c2)cc1 28527938 VWIKZEXHTUQIBO-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB COc1ccccc1-c1nnc(Sc2cc(C)nc(C)n2)n1CCc1ccccc1 32769895 LQCXCKOLIASMMV-UHFFFAOYSA-N 417.538 4.754 0 40 HJAB O=C(c1ccc(F)cc1)c1ccc(OC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 32873604 XPTFAEKFECGPIV-UHFFFAOYSA-N 409.438 4.686 0 40 HJAB Cc1cccc(-n2c(/C=C3/C(=O)N(C(C)C)c4ccccc43)nc3ccccc3c2=O)c1 34795034 IKFLEHSUQKGHQR-CJLVFECKSA-N 421.500 4.990 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(O)=Nc2c(-c3ccc(F)cc3)cnn21 35685063 KHSFFPBMBMHTGC-MRXNPFEDSA-N 402.788 4.653 0 40 HJAB O=C(NCCSCc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38848545 JDTGIFPLIHJTAG-IBGZPJMESA-N 420.981 4.741 0 40 HJAB O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccnc1N1CCCCC1 40133604 ZZWSLTHWFNOXBV-CHWSQXEVSA-N 423.401 4.711 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1 46086996 VSGTTWWJXPQFPX-UHFFFAOYSA-N 424.453 4.568 0 40 HJAB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1coc3ccccc3c1=O)NC2 54979036 TYSGOOQFEPLJAB-XMMPIXPASA-N 416.477 4.574 0 40 HJAB O=C(CSc1cc(NCc2ccccc2Cl)ncn1)Nc1ccc(F)cc1F 57505663 PLBANIDGQJWESC-UHFFFAOYSA-N 420.872 4.751 0 40 HJAB C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(N[C@@H](C)C(=O)NC(C)(C)C)c23)C1 58003983 OZATVCHJPPNZBM-KBPBESRZSA-N 423.586 4.593 0 40 HJAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc2ccccc2n1Cc1ccccc1 58084916 DUOINDUAQXKXEC-UHFFFAOYSA-N 418.518 4.654 0 40 HJAB O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccccc1Cl 67292949 JPZBIJACIHGJRU-MEFNAMQOSA-N 417.292 4.881 0 40 HJAB COC(=O)c1cc(NC(=O)c2sc(C)cc2OC(F)F)cn1Cc1ccccc1 72304427 DSPUGNXNGLHIHM-UHFFFAOYSA-N 420.437 4.547 0 40 HJAB COc1cc(/C=C(\F)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccccc1 77024549 XOYYXNJVCSSNBQ-UYRXBGFRSA-N 421.424 4.922 0 40 HJAB O=c1oc2ccccc2c(O)c1C(c1cccs1)c1c(O)c2ccccc2oc1=O 100689564 VGJKTZUBVAMNAZ-UHFFFAOYSA-N 418.426 4.552 0 40 HJAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccccc1C 101085231 HSIQTZRYGDNSEA-KUHUBIRLSA-N 403.276 4.536 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 222504433 RYJQHGLHUAVEME-NRFANRHFSA-N 418.940 4.662 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 223222732 NWSWPCACANBXLW-OAQYLSRUSA-N 414.977 4.913 0 40 HJAB CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 223796518 ULCUHKDFXVRUTL-LJQANCHMSA-N 416.587 4.599 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)CCc3ccccc3)c2)c1 223951056 XYODAFQBYJAVLL-IBGZPJMESA-N 422.550 4.547 0 40 HJAB CCOc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 224069588 HUWXBFONZQZFEG-HKWRFOASSA-N 406.507 4.865 0 40 HJAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C)c2C)c1 224115839 XJWNQJWYHQTKFB-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 224228602 IBQMMSRUVJEMDI-INIZCTEOSA-N 421.368 4.725 0 40 HJAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 224621459 JDFPCLISZFWCKM-XZOQPEGZSA-N 412.518 4.755 0 40 HJAB COC(=O)c1cc2cc(NC(=O)CCc3ncc(-c4ccccc4)o3)ccc2s1 224842103 XRFWDPRNGBQWBF-UHFFFAOYSA-N 406.463 4.914 0 40 HJAB O=C(O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 225064620 PGVIPOWYFRRHHH-UHFFFAOYSA-N 417.486 4.787 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 225096359 MFZVNYAZMKJOND-UXHICEINSA-N 412.599 4.809 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)C(C)C)ccc2Cl)c(C)c1 225200808 ACCIENWLIXHTDP-HNNXBMFYSA-N 408.951 4.532 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)N[C@@H](C)CC)cc1 225485130 GWXREMVSBOMHEK-RDPSFJRHSA-N 408.586 4.904 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 225613742 IDAWRZHVKMGOAC-GCJKJVERSA-N 414.977 4.913 0 40 HJAB COc1ccccc1CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257246937 IWQJDMSCOKFWRH-HXUWFJFHSA-N 410.901 4.834 0 40 HJAB CN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CCN(CC2CC2)CC1 257259142 KXBFCCSQIQPKFI-UHFFFAOYSA-N 406.570 4.606 0 40 HJAB CSc1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)c1 408592385 KCXVHNZKJRUIFF-UHFFFAOYSA-N 419.572 4.617 0 40 HJAB CC(C)N(C(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)C(C)C 409214391 XGZBAARPGQGKII-UHFFFAOYSA-N 422.598 4.790 0 40 HJAB COc1ccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)CC(F)(F)F)cc1 585106116 NIDJRWJRLAZEOU-UHFFFAOYSA-N 405.416 4.709 0 40 HJAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@@H]3[C@@H](C=C(C)C)C3(C)C)CC2)C1(C)C 607949891 YLYMQCLFDYBTJM-NCYKPQTJSA-N 400.607 4.524 0 40 HJAB O=C(c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)N1CC[C@@H](c2cc(O)n[nH]2)C1 1639639546 FQKIJQFGTUAQTL-GFCCVEGCSA-N 420.271 4.858 0 40 HJAB O=C(CSc1n[nH]c(Cc2ccccc2)n1)Nc1ccccc1Oc1ccccc1 1652789892 JTHPUANBPVQYCF-UHFFFAOYSA-N 416.506 4.919 0 40 HJAB Cc1ccc(S(=O)(=O)NC[C@H](Nc2cccc(Cl)c2)c2ccccc2)cc1 1068224 FQWOJNQDLFSGPY-NRFANRHFSA-N 400.931 4.780 0 40 HJAB COc1ccc(NC(=O)CSc2nc(C(C)(C)C)nc3ccccc23)cc1OC 1342544 YRRJHUAZWGVLPM-UHFFFAOYSA-N 411.527 4.675 0 40 HJAB Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)c(C)c1 1379971 PAUALSKTIMJUFJ-HSZRJFAPSA-N 417.509 4.738 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)no1 1389903 QPFZPXOEZDJIPK-INIZCTEOSA-N 424.309 4.569 0 40 HJAB CCCOc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)cc1 1865842 YKMCNAFQECIAMG-UHFFFAOYSA-N 401.938 4.523 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C 2327017 UXPMHMYZQOGJOB-UHFFFAOYSA-N 400.935 4.737 0 40 HJAB FC(F)(F)C1(C(F)(F)F)N=C(CCc2ccccc2)OC(N2CCCCC2)=N1 2347761 VXUFDFJYBFPNNQ-UHFFFAOYSA-N 407.358 4.711 0 40 HJAB COc1ccc(Cc2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)cc1 2448341 IUCQUMNFFIMPDB-UHFFFAOYSA-N 405.932 4.522 0 40 HJAB Cc1c(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(=O)n(-c2ccccc2)n1C 3236423 FHSKVQSMCXDLGJ-UHFFFAOYSA-N 409.917 4.588 0 40 HJAB Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 3274563 PTHKMUHFBNTODK-UHFFFAOYSA-N 419.477 4.525 0 40 HJAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1c(Cl)cccc1Cl 3302616 SPTXDQYDHDGQBX-UHFFFAOYSA-N 409.294 4.718 0 40 HJAB CCOC(=O)[C@@H]1CCCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)C1 3350193 IEROZIFUPDBBCF-CQSZACIVSA-N 401.919 4.791 0 40 HJAB CCCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(C)cc4)c(=O)n3n2)cc1 3649108 TVNGTJZLSCEWQD-PGMHBOJBSA-N 419.550 4.633 0 40 HJAB CCN(CC)CCN(C(=O)c1ccc(C(C)=O)cc1)c1nc2c(C)cccc2s1 4359462 GREXPMWOEVDBMX-UHFFFAOYSA-N 409.555 4.796 0 40 HJAB COC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12 4784729 FQHCBTOCKJOUFN-VWLOTQADSA-N 410.473 4.862 0 40 HJAB COc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1OC 4988513 QRZMNEQMDODAML-UHFFFAOYSA-N 404.422 4.778 0 40 HJAB CC[C@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCCCN(C)C)c23)CO1 5156701 CNPNKIMDJYRJRD-HXUWFJFHSA-N 408.637 4.797 0 40 HJAB Cc1cc(C)c(C)c(Cn2c(CCNC(=O)c3ccco3)nc3ccccc32)c1C 5235801 SFWUUWMZWPKBOW-UHFFFAOYSA-N 401.510 4.884 0 40 HJAB CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 6048114 HMVVQPIJHGBKGP-CQSZACIVSA-N 400.544 4.649 0 40 HJAB COc1cccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c1 6084155 JXMOMDHSFANWJR-UHFFFAOYSA-N 412.555 4.736 0 40 HJAB C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1Cl 6376082 JALDASHADMKNAI-CYBMUJFWSA-N 402.853 4.854 0 40 HJAB Cc1ccc(-c2cc(OC(=O)COc3ccc(F)cc3)cc3sc(=O)oc23)cc1 6809666 ZTFWGOTWCMEAAV-UHFFFAOYSA-N 410.422 4.953 0 40 HJAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc2c(c1)OCCO2 7654680 QQFZAOKBJNXSTE-UHFFFAOYSA-N 406.818 4.505 0 40 HJAB CC(C)n1ncc2c(C(=O)Nc3nc(-c4ccccn4)cs3)cc(C3CC3)nc21 8025267 IWWZCLFSYGAVIN-UHFFFAOYSA-N 404.499 4.660 0 40 HJAB CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1 8894133 QKGVYOGTPACXOX-NRFANRHFSA-N 413.587 4.544 0 40 HJAB COc1ccc(CNC(=O)CSc2nc(-c3cccs3)nc3ccccc23)cc1 8941961 VGLDIUPCTIPKLD-UHFFFAOYSA-N 421.547 4.775 0 40 HJAB CC(C)(C)c1ccc(OCCCC(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)cc1 9114832 DWHZLQRSPKIOMA-QFIPXVFZSA-N 405.542 4.966 0 40 HJAB COC(=O)c1ccc(CSc2nnc(-c3ccccc3OC)n2-c2ccccc2)o1 9588843 STZGPECERJYCAB-UHFFFAOYSA-N 421.478 4.615 0 40 HJAB Cn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccco1 10014489 NZVJBGRYFUAZOP-UHFFFAOYSA-N 417.705 4.766 0 40 HJAB COc1cc(C=O)cc(Br)c1OCCOc1cccc(C(F)(F)F)c1 10110153 PZQNQTSVTOVKCQ-UHFFFAOYSA-N 419.193 4.747 0 40 HJAB CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 12062729 JHFRENWAYVPMFT-CYBMUJFWSA-N 401.850 4.503 0 40 HJAB COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)c3ccccc3)c3nccs3)C2)c1 12183407 QCWKLVUBLXGGEI-RBBKRZOGSA-N 421.566 4.535 0 40 HJAB O=C(Cc1csc(SCC(=O)c2cccs2)n1)NCCC1=CCCCC1 12444124 WKUPSVGIEPZPQD-UHFFFAOYSA-N 406.598 4.729 0 40 HJAB CCOCCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(F)ccc21 13626110 JFBMIOQUMYKNGD-PYCFMQQDSA-N 413.301 4.926 0 40 HJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 14022310 UPFLOXMIZGVSMK-QFIPXVFZSA-N 424.522 4.592 0 40 HJAB C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(=O)c1ccccc1 14044176 CHMFNJNVLBKFGH-KRWDZBQOSA-N 424.545 4.756 0 40 HJAB Cc1cc(C)cc(OCC(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c1 16269302 XUKORBMEFZMQOC-UHFFFAOYSA-N 419.959 4.767 0 40 HJAB CCc1ccc(O)c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 17087385 IYBHKEXMABWLDG-UHFFFAOYSA-N 406.507 4.660 0 40 HJAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccccc1OCc1ccc(F)cc1 18092125 YDBHMOWAOGUXJG-UHFFFAOYSA-N 404.441 4.784 0 40 HJAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc2nccc(-c3ccc(OC)cc3)n2n1 19716583 WMSQRNGZAHTXDA-OAQYLSRUSA-N 418.472 4.767 0 40 HJAB COC(=O)c1c(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)sc2c1CCCC2 19931916 VHSFZNMFRRBHOA-HNNXBMFYSA-N 401.528 4.745 0 40 HJAB O=C(c1cc(Cl)ccc1F)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 22605843 PPKPPNWFNQLNHZ-UHFFFAOYSA-N 415.921 4.561 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc3c(c2)CCC3)c(OC)c1 23313141 HBLZQWZIFVRRSE-JOCHJYFZSA-N 407.510 4.519 0 40 HJAB O=C(CN1CCC(CCc2ccc(O)cc2)CC1)Nc1ccccc1C(F)(F)F 24748101 ZXZVHWWDPFVCIQ-UHFFFAOYSA-N 406.448 4.694 0 40 HJAB COc1ccc(C(C)=O)cc1CN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 26457229 GMKUNUPOZXFUOD-IBGZPJMESA-N 421.324 4.808 0 40 HJAB Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)oc2c1C 28290723 DRXAZSCHFSJPDB-IBGZPJMESA-N 424.566 4.818 0 40 HJAB O=C(O)c1sc2c(c1-c1ccc(Cl)cc1)N=C(O)C[C@@]21C(=O)Nc2ccccc21 32092622 LLXZFPGOLUIKKL-NRFANRHFSA-N 424.865 4.997 0 40 HJAB CC(=O)Nc1cccc([C@H](C)N(CC(=O)N(C(C)C)C(C)C)Cc2ccccc2)c1 32909360 RUMUYTQEGXLOKL-FQEVSTJZSA-N 409.574 4.854 0 40 HJAB Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2ccc(Cl)c(Cl)c2)n1 36611616 IZPRWOBCMPVIPW-UHFFFAOYSA-N 415.328 4.656 0 40 HJAB CC1CCN(c2nc(O)c3c(=S)n(-c4cc(Cl)cc(Cl)c4)cnc3n2)CC1 40385728 QSEZPCOGLQYCMS-UHFFFAOYSA-N 422.341 4.794 0 40 HJAB COCCOc1ccc(NC(=O)N2CC(Cc3ccccc3Cl)C2)cc1Cl 72314314 KQCLNITVPCQZLQ-UHFFFAOYSA-N 409.313 4.725 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)cc1 72349559 ZCOIDHOEOWTRDR-HXUWFJFHSA-N 404.485 4.845 0 40 HJAB O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 72359175 TVYUFIYQUNKGQG-IBGZPJMESA-N 407.464 4.761 0 40 HJAB Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)CCOc3cccc(F)c3)n2)n1 72375660 MGQNWVOMPWVBBY-OAQYLSRUSA-N 420.488 4.800 0 40 HJAB O=C(/C=C/c1cc(Br)ccc1F)N1CCC[C@H]1C[C@H](O)c1cccs1 79045353 YLHRQPVBJUVBDA-FDEGQTKMSA-N 424.335 4.778 0 40 HJAB COC(=O)[C@](NC(=O)CCC1CCCCC1)(c1c[nH]c2ccccc12)C(F)(F)F 79480082 BOJBRUKDZLEJQM-HXUWFJFHSA-N 410.436 4.575 0 40 HJAB CCN(CCN(C)C)C(=O)c1cnc(-c2noc3cc(-c4ccccc4)ccc23)s1 96154517 TVTRKYZGWFAQEE-UHFFFAOYSA-N 420.538 4.642 0 40 HJAB COc1ccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccc(OC)cc4)CC(O)=C32)cc1 102751378 QHGRGAQCABWDTJ-VFNWGFHPSA-N 418.453 4.716 0 40 HJAB CCOC(=O)c1cn(Cc2ccccc2Cl)c2ccc(C(F)(F)F)cc2c1=O 199727891 YMFXHHSQEVQAGN-UHFFFAOYSA-N 409.791 4.899 0 40 HJAB CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220716385 KTTLCAXIONESAC-LJQANCHMSA-N 422.978 4.955 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 222604302 NJTPPISZQYABEX-NRFANRHFSA-N 400.950 4.523 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222768416 QXZTVOXXKCIYAQ-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 223817857 YDBXNIBHDSIBEM-OAQYLSRUSA-N 418.940 4.745 0 40 HJAB O=S(=O)(Cc1ccc(Br)cc1)Nc1ccc2c3c(cccc13)CC2 224186351 JJQTXGROBAPGRJ-UHFFFAOYSA-N 402.313 4.643 0 40 HJAB CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(Br)cc1 224737555 NRPQTSIURYBHTI-UHFFFAOYSA-N 409.132 4.971 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 225132172 GCWYATQPORQAQX-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C(C)C 225174653 AJBNFLMSKCOQDS-UHFFFAOYSA-N 410.539 4.914 0 40 HJAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)ccc21 225703470 WHKFXRBRVOMPSP-UHFFFAOYSA-N 417.339 4.752 0 40 HJAB Cc1cc(C)c2c(=O)ccn(CC(=O)N(Cc3ccccc3)Cc3ccccc3)c2c1 225756479 KXBVSVDFUSSZAY-UHFFFAOYSA-N 410.517 4.847 0 40 HJAB COc1cccc(C(=S)N2CCOCC2)c1OCc1ccc(Cl)c(Cl)c1 408575339 NVSTXWGNAVMJCI-UHFFFAOYSA-N 412.338 4.589 0 40 HJAB CCc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 409027672 OKXRNWYDJCWTRM-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB O=C(O)Cn1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 409141361 IHXVYDYMISWUSN-MFOYZWKCSA-N 412.854 4.620 0 40 HJAB CCCCCCOc1cccc(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 1656011863 YIGWYOANZYXRKI-SFHVURJKSA-N 402.485 4.819 0 40 HJAB Cc1cc(CN[C@H](C)[C@@H](O)C(F)(F)F)cc(C)c1OCc1ccccc1Cl 1658414968 GLDSPPWQCOYPLO-AUUYWEPGSA-N 401.856 4.937 0 40 HJAB Cc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)c1 666040 WEMHZHRYGGOSBR-IBGZPJMESA-N 422.550 4.606 0 40 HJAB O=C(c1ccccc1)N1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1 827810 GTPKYIQEMDBGLB-NRFANRHFSA-N 408.251 4.823 0 40 HJAB Cc1cc(Cc2ccc(NC(=O)C(F)(F)F)c(C)c2)ccc1NC(=O)C(F)(F)F 828310 CINAFBPFDSQEGR-UHFFFAOYSA-N 418.337 4.896 0 40 HJAB O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)c1ccccc1 887821 PSPSTURWXHONRF-UHFFFAOYSA-N 401.491 4.821 0 40 HJAB O=C(Cc1ccccc1)NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 1408543 LCQQIJQZQDEQJQ-UHFFFAOYSA-N 422.897 4.599 0 40 HJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 3350589 GISDDCAIAKFEGU-UHFFFAOYSA-N 423.340 4.767 0 40 HJAB CCOc1ccc([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)cc1 3642462 OWKMXQWWXXCDGZ-IRXDYDNUSA-N 404.301 4.712 0 40 HJAB COc1ccccc1[C@@]1(CCNCc2ccc3c(c2)OCO3)CCO[C@@H](C(C)C)C1 4046903 NMPJHGCISZRRPQ-RPBOFIJWSA-N 411.542 4.677 0 40 HJAB biogenic COc1ccc2sc(N(CCCN(C)C)C(=O)c3cccc(Cl)c3)nc2c1 5122490 RZPRGYQIRPCFJI-UHFFFAOYSA-N 403.935 4.557 0 40 HJAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccccc2)cc1 5518174 JFYOBNLEUYRYSX-UHFFFAOYSA-N 400.478 4.931 0 40 HJAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1c(C)cc(C)cc1C 6325001 CEADKXJWBRDCAJ-FSJBWODESA-N 412.331 4.919 0 40 HJAB COc1cc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1NC(=O)C(C)C 6357759 NGUWNPWCRWQASS-UHFFFAOYSA-N 411.285 4.857 0 40 HJAB Cc1cccc(N2C(=O)/C(=C\Nc3ccc(Cl)cc3C)c3ccccc3C2=O)n1 6507768 UYJFPZSUHBJHLP-UYRXBGFRSA-N 403.869 4.992 0 40 HJAB O=C(NC1CC1)[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)c1ccccc1 7112623 HPAVQFJCKMYFSE-OAQYLSRUSA-N 419.550 4.624 0 40 HJAB COc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)[nH]2)C(=O)O)c(C)c1 7603311 XSJIITKOXBKAJI-YBEGLDIGSA-N 401.875 4.660 0 40 HJAB COc1ccccc1/C=C/C(=O)Nc1nnc(SCc2ccccc2F)s1 7723263 OHXAIJPTMHLBFA-ZHACJKMWSA-N 401.488 4.630 0 40 HJAB COC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 8471363 HUFFCKQLOYJKBV-UHFFFAOYSA-N 408.841 4.631 0 40 HJAB COc1ccc(CCNCc2cccc(OC)c2OCc2ccccc2)cc1OC 8495501 BOECEZZECKMSSA-UHFFFAOYSA-N 407.510 4.624 0 40 HJAB Brc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1 8758714 MFABYOHKEZYZSO-UHFFFAOYSA-N 415.272 4.841 0 40 HJAB Cn1c(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)nnc1C1CC1 9496235 LZYJBJDTPYSMTL-GOSISDBHSA-N 422.579 4.665 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CCCCCCC3)c2)cc1 10358559 GDIDKMOHQDYBJD-UHFFFAOYSA-N 400.544 4.639 0 40 HJAB COc1cccc(NC(=O)[C@@H](OC(=O)[C@H]2Cc3ccccc3S2)c2ccccc2)c1 10905147 ZDPUXFWVWUIISC-YADHBBJMSA-N 419.502 4.635 0 40 HJAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1c[nH]c(=S)n1-c1ccccc1 11253993 HHPPFQPNDFOQIZ-UHFFFAOYSA-N 421.444 4.544 0 40 HJAB Cc1cc(C)cc(OCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667259 DUOIUBWFFHOAQM-SFHVURJKSA-N 403.482 4.816 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](c1ccccc1F)c1nccn1C 12549658 DBVPDFWZAJRLKU-SGTLLEGYSA-N 422.287 4.539 0 40 HJAB CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)c1ccccc1 12814657 VTYKNCNQXQSWHE-HXUWFJFHSA-N 422.978 4.642 0 40 HJAB Cc1nc(CSc2ccccc2C(=O)Nc2cccc(OC(F)(F)F)c2)no1 12931821 LQBJOBPRSVQISH-UHFFFAOYSA-N 409.389 4.821 0 40 HJAB COc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 13022575 CNCZGYNXXFLKFV-UHFFFAOYSA-N 404.344 4.812 0 40 HJAB CCOc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1ccc(OC)cc1 13550806 OFLGCQPJJYRYSK-XLNRJJMWSA-N 416.477 4.504 0 40 HJAB COC(=O)C1=C(C(=O)OC)SC(=C(Cl)C(=S)Sc2ccccc2)S1 15084445 AXBOIFYUFDTYML-UHFFFAOYSA-N 418.970 4.552 0 40 HJAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 15693575 IMYQSEPBUPDWSQ-MRXNPFEDSA-N 414.552 4.657 0 40 HJAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccccc1C(=O)N1CCCCC1 16014280 LIZTYTSGGVOFEH-UHFFFAOYSA-N 402.494 4.729 0 40 HJAB Cc1noc(C)c1COc1ccc(CNCC2(c3ccccc3F)CCOCC2)cc1 19580921 FFTSEJITWSLVNB-UHFFFAOYSA-N 424.516 4.848 0 40 HJAB CN(C)CCn1cc(CN[C@H](Cc2ccsc2)c2nccs2)c2ccccc21 19583317 ZMPXSUHXLXBOOY-HXUWFJFHSA-N 410.612 4.795 0 40 HJAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](c4ccc(Cc5ccccc5)cn4)C3)c2c1 19690228 JJTWHFGKECGTET-NRFANRHFSA-N 410.521 4.877 0 40 HJAB Cc1nc([C@@]2(O)CCCN(C(=O)c3ccccc3)CC2)sc1COc1ccccc1 19705272 SWMUHBDCWASXDN-XMMPIXPASA-N 422.550 4.544 0 40 HJAB Cc1nn2c(nnc3c(=O)n(-c4cc(Cl)ccc4Cl)ccc32)c1-c1ccccc1 19818926 ZEFOEWPZKSRENA-UHFFFAOYSA-N 422.275 4.711 0 40 HJAB COc1ccccc1-c1nnc(CSc2nnc(COc3ccc(C)c(C)c3)o2)o1 19928070 WPVOCKINFADWCU-UHFFFAOYSA-N 424.482 4.616 0 40 HJAB CC(=O)N1CCc2cc(Nc3nc(CN4CCCC4)nc4sc(C)c(C)c34)ccc21 22803295 QJLSRNPKHKJHHH-UHFFFAOYSA-N 421.570 4.557 0 40 HJAB Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H](C)c2cccc3ccccc23)CC1 23433643 FUVWYJYWIRXBQV-LJQANCHMSA-N 400.522 4.878 0 40 HJAB COc1ccc(OC)c(NC(=O)Nc2ccc(Br)c3cccnc23)c1 27930269 NVOIRQKGKFXNTK-UHFFFAOYSA-N 402.248 4.659 0 40 HJAB Cc1ccc(S(=O)(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)c(Br)c1 30368517 XBZYMWQJWXDDEK-CZUORRHYSA-N 424.360 4.827 0 40 HJAB Cc1c(F)cccc1NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 32578980 SAJQKZLCXBGHFB-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB Cc1ccc(-c2nn(Cc3nc(-c4ccccc4C)no3)c(=O)c3ccccc23)cc1 33273834 PLKVLNYOQMJZTQ-UHFFFAOYSA-N 408.461 4.779 0 40 HJAB CCc1nc2sc([C@H](c3ccccc3Cl)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 36104799 KMKCQFCXEQKKPF-DCGLDWPTSA-N 404.967 4.780 0 40 HJAB COc1cccc([C@@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)c1 36616323 CHMOTHHRCANQNP-OAHLLOKOSA-N 418.472 4.676 0 40 HJAB CCN1C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2Oc2ccccc21 36705403 WGNVAESOVUEYLV-UHFFFAOYSA-N 417.421 4.832 0 40 HJAB Cc1cccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCc3cccnc3)o2)c1 39844357 SRNFGZLBDONYAO-UHFFFAOYSA-N 423.469 4.629 0 40 HJAB COCCOCCCNc1ncnc2scc(-c3ccc(Br)cc3)c12 40004977 SNENQWCHFVDRRL-UHFFFAOYSA-N 422.348 4.586 0 40 HJAB C[C@@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)c1ccc(-n2ccnc2)cc1 40068790 DDGVZXWMBLPWIZ-OAHLLOKOSA-N 402.420 4.794 0 40 HJAB C[C@@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(C(F)(F)F)cc1 40086887 YXZFMZNVBYTTPZ-CQSZACIVSA-N 413.399 4.844 0 40 HJAB O=C(CCc1nc(Cc2ccccc2)no1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 40128358 WQAVJJOJQYTYRU-UHFFFAOYSA-N 423.476 4.775 0 40 HJAB Cc1nn2c(nnc3c(=O)n([C@H]4CCCC[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 40395989 KYNHBMIQHVQRSZ-DYVFJYSZSA-N 407.905 4.819 0 40 HJAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 44933491 FXBJOIKNLNFPQW-KRWDZBQOSA-N 415.375 4.847 0 40 HJAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(-n2nccc2-c2ccccc2)c1 48304087 DSLIKCMAWOHPFC-UHFFFAOYSA-N 422.488 4.684 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 48374754 KDDHCYNAXCSMEL-KUHUBIRLSA-N 413.880 4.575 0 40 HJAB O=C(c1ccccc1Br)N1CCC(Oc2nc3ccccc3s2)CC1 49430862 OFVYREPXCVAXLA-UHFFFAOYSA-N 417.328 4.742 0 40 HJAB CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)sc2c1 59483473 SMXKOTPALJWBAV-UHFFFAOYSA-N 405.932 4.947 0 40 HJAB COc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 72348684 IYHBSXMCBBLXRT-HXUWFJFHSA-N 404.485 4.840 0 40 HJAB O=C(CCc1cccc(Cl)c1)N1CCC[C@H]1c1ccc(Nc2cnccn2)cn1 72353157 WHWXMTJHCUNPAL-FQEVSTJZSA-N 407.905 4.565 0 40 HJAB Cn1cc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)c2ccccc21 72394591 ULMVAMLVVYGRTH-NRFANRHFSA-N 424.614 4.750 0 40 HJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(c2cccc(Cl)c2)CC1 216317489 OWFNJPBJHHXGMN-QFIPXVFZSA-N 408.929 4.999 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 222623540 WEEXQZLIKPUSHI-XMSQKQJNSA-N 414.977 4.647 0 40 HJAB CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)cc1 222842572 RZRURTJJTGZADI-FGZHOGPDSA-N 406.555 4.652 0 40 HJAB O=C(Cc1ccc(Cl)cc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 223225040 UWXSPAPKGWVFKR-UHFFFAOYSA-N 422.931 4.955 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 223254482 DCDWEVSVPAEFEY-QHCPKHFHSA-N 424.585 4.713 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 223448579 IJIRUKGVPFRABZ-QFIPXVFZSA-N 412.549 4.707 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)(C)C 224051973 QQJLOIMIDTYLNI-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 224062565 DLMAAIYJRDJYCJ-DEOSSOPVSA-N 408.586 4.612 0 40 HJAB Cc1cc(C)cc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)c1 224188864 BOHLDKOZMTWPGT-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1C 224666639 IQBZZVBLSMQGCC-NRFANRHFSA-N 406.570 4.712 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 224877230 NPLUEYYVJDCSRE-IBGZPJMESA-N 420.528 4.855 0 40 HJAB O=C(COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1)N1CCCC1 225547550 RMHGEGPCKIZKAS-UHFFFAOYSA-N 424.516 4.668 0 40 HJAB CCOc1ccc(NC(=O)C2(C)COC(c3cccc(C(F)(F)F)c3)OC2)cc1 225920501 UQYMEDLUFIHJQL-UHFFFAOYSA-N 409.404 4.795 0 40 HJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)Cc3cccc(OC)c3)CC2)n1 257344900 ZZCINWPKUIXNKK-UHFFFAOYSA-N 419.525 4.565 0 40 HJAB C[C@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC(=O)[C@@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1 299817662 MWBJDDYEYGDWCZ-UPGTUROLSA-N 413.646 4.771 0 40 HJAB biogenic,in-vitro O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)Nc1ccc2ccccc2c1 408628516 YKTONEKGYPPXHG-UHFFFAOYSA-N 414.486 4.654 0 40 HJAB Cc1ccc(-c2nnc(CN(C)C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1 408713824 AAGIQJLDIMFHAZ-CYBMUJFWSA-N 420.296 4.778 0 40 HJAB Cc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409003193 FFSWQCKANWLTHQ-UHFFFAOYSA-N 420.962 4.611 0 40 HJAB CCOc1cc(Cl)c(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCC 409240841 QDHHRPNWFSJNIQ-VCHYOVAHSA-N 414.889 4.539 0 40 HJAB O=C(CC1CC1)N1CCC2(CCCCc3ccccc3OCCN(CC3CC3)C2)CC1 643570356 AYXMCOYOQSKCOD-UHFFFAOYSA-N 424.629 4.913 0 40 HJAB O=C1NCCc2ccccc2[C@H](c2ccccc2)N1C1CCN(Cc2ccco2)CC1 1615530633 ZSEATMBJVDTAOW-VWLOTQADSA-N 415.537 4.601 0 40 HJAB O=C(N[C@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl)c1ccco1 823824 PNMBVJSRKQFMLF-LBPRGKRZSA-N 401.599 4.837 0 40 HJAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)ccc2Cl)cc1 872595 YZKOGTABMYNGRR-UHFFFAOYSA-N 423.325 4.622 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 1329499 UMWGZLVPPCHXAD-OAHLLOKOSA-N 400.507 4.695 0 40 HJAB CCOc1ccc(/C=C2/SC(=O)N(CNc3ccccc3F)C2=O)cc1OCC 2119859 ICEDOFRAAGFQBG-XDHOZWIPSA-N 416.474 4.729 0 40 HJAB CCC(=O)O[C@@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2N=C1O 2197611 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JQNRCWQYPNWJIX-UHFFFAOYSA-N 421.522 4.556 0 40 HJAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)c3ccc(Br)cc3)n2)cc1 5867468 NXQVQJMUQSAIDE-LBPRGKRZSA-N 402.317 4.906 0 40 HJAB C[C@H](Cc1ccc2c(c1)OCO2)[C@@H]1Nc2ccccc2C(=O)N1c1ccc(F)cc1 5934398 ALLBFZSPIIVWLU-IQMFZBJNSA-N 404.441 4.832 0 40 HJAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 6226059 HYIQKCOYTDRRQL-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)C1 6358119 NEQDRWYRWLPCSQ-NSPYISDASA-N 402.516 4.718 0 40 HJAB COc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 7158639 SDYUBSMTFRFRST-DEOSSOPVSA-N 418.493 4.892 0 40 HJAB CCCCn1nnnc1NCc1ccc(OCc2ccccc2Cl)c(OCC)c1 7262160 VBPAJKGEOKGQIV-UHFFFAOYSA-N 415.925 4.716 0 40 HJAB COc1ccc(-c2cc(N[C@H](C)C(=O)N3CCc4ccccc43)ccc2OC)cc1 7363995 KPTSFEOPFZLVAB-QGZVFWFLSA-N 402.494 4.761 0 40 HJAB COc1ccc(-c2nnc(Nc3nc4ccc(SC)cc4s3)o2)c(OC)c1 7447948 DTCQPVPUGQZLRB-UHFFFAOYSA-N 400.485 4.829 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)N[C@@H](C)c3ccc(F)cc3)s2)cc1 7654602 SHCIXVMKROKTNT-ZDUSSCGKSA-N 402.520 4.699 0 40 HJAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2cccnc2)c(C)c1 7779286 GZIKLRHDIQSORL-UHFFFAOYSA-N 415.522 4.742 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccc(C)cc3)c3ncnn32)cc1 9288978 ZFQYQAOTOKLACP-BJKOFHAPSA-N 424.504 4.976 0 40 HJAB CCc1ccccc1NC(=O)Cc1nnc(SCc2c(F)cccc2Cl)n1C 9582383 RVFVHFHOEKVMFT-UHFFFAOYSA-N 418.925 4.644 0 40 HJAB COCCn1c(C)cc(/C=C2\C(=O)N(c3ccccc3C)C(=O)c3ccccc32)c1C 9690686 JXYZMYQBSAWFFO-KQWNVCNZSA-N 414.505 4.787 0 40 HJAB CCc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccccc1 9855883 YVVGYDUCHVWAEW-UHFFFAOYSA-N 424.500 4.742 0 40 HJAB Cc1ccc(C(=O)N2CCc3ccccc32)cc1S(=O)(=O)Nc1cccc(C)c1C 10112425 NFAHPGAUMZUPBH-UHFFFAOYSA-N 420.534 4.616 0 40 HJAB Cc1nc(Nc2ncc3c(n2)C[C@H](c2cccs2)CC3=O)nc2c(C)cccc12 10157487 DVJFFUOQSKFDSZ-AWEZNQCLSA-N 401.495 4.754 0 40 HJAB Cc1cc(C)c(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)c(C)c1 10369473 GBUYPUBGCFWLSO-UHFFFAOYSA-N 422.978 4.759 0 40 HJAB C[C@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)N[C@H]1CCCc2ccccc21 10563297 VNMYNGAWEQBGEC-JTSKRJEESA-N 419.477 4.598 0 40 HJAB CC(=O)Nc1ccc2c(CSc3nccn3-c3cccc(C)c3C)cc(=O)oc2c1 12603667 NLIMFFNTQWJAKG-UHFFFAOYSA-N 419.506 4.846 0 40 HJAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)c1 12769951 QIYMFVBINRUXIK-UHFFFAOYSA-N 409.467 4.838 0 40 HJAB CCOC(=O)c1ccc(Oc2nc(CN3CCCC3)nc3sc(C)c(C)c23)cc1 12873815 KKHRMYBLVDYGAF-UHFFFAOYSA-N 411.527 4.873 0 40 HJAB CCOc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)C(C)C)C3)cc2)cc1 13007157 JEEGHYPEPJGZOT-GOSISDBHSA-N 410.514 4.711 0 40 HJAB CSCC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1nnc2ccccn12 13592208 BIVBJFKWTWKWQH-BVBGJJFLSA-N 421.353 4.660 0 40 HJAB Cn1cc(C(=O)CSc2nnc(-c3ccoc3)c(-c3ccoc3)n2)c2ccccc21 13990242 BNMBIXHVEKZAGA-UHFFFAOYSA-N 416.462 4.858 0 40 HJAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1 14399904 RKDHYZBXBORUSL-UHFFFAOYSA-N 400.906 4.764 0 40 HJAB COc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2cc(C)cc(C)c2)cc1 15413178 DQFKMVUHFHBASP-VWLOTQADSA-N 414.505 4.742 0 40 HJAB N=C1NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)S1 15931929 UTOMIBKUZNKCQR-NVNXTCNLSA-N 423.719 4.820 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(F)cc1Cl 15961954 UECSBINTBOQIEZ-UHFFFAOYSA-N 402.775 4.587 0 40 HJAB CCc1nnc2sc(-c3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3)nn12 16162681 MUUHSSRLGPPCQB-UHFFFAOYSA-N 421.526 4.556 0 40 HJAB CSCC[C@H](NC(=O)CCC(=O)c1cc(C)ccc1C)c1nc2ccccc2[nH]1 16646094 UDRCSAJZQGFLAK-FQEVSTJZSA-N 409.555 4.753 0 40 HJAB COCCn1c(SCc2cccc3ccccc23)nc2c([nH]c3ccccc32)c1=O 16942916 YGNWNSXRAJLZOG-UHFFFAOYSA-N 415.518 4.970 0 40 HJAB COc1cc(OC)c(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1OC 16963625 FFQPSNKOUNJBJF-JOCHJYFZSA-N 409.507 4.562 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19335706 SMOLSLPZOBWFKP-ZDUSSCGKSA-N 421.394 4.506 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1cccc(F)c1 19400587 POCFLAXVMYQDQM-HYBUGGRVSA-N 421.491 4.743 0 40 HJAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C2CCC2)C1 19528440 FOXFOEBPHVRGDY-XMMPIXPASA-N 410.583 4.503 0 40 HJAB COc1ccc([C@H]2CCCN2Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)cc1 19534535 PHTXOQLVYPXDRM-HXUWFJFHSA-N 417.534 4.997 0 40 HJAB Cc1cc(Oc2ccc(NC(=O)Cc3cccs3)cc2)cc(C2CCNCC2)n1 19570464 QNXZVYXTMMCMSO-UHFFFAOYSA-N 407.539 4.892 0 40 HJAB COc1ccc(-c2nc(C(=O)N3CCC(Oc4cccc(C)c4)CC3)cs2)cc1 19660250 SCTAIMOKUGOSJI-UHFFFAOYSA-N 408.523 4.811 0 40 HJAB COc1ccc(-c2nc(Nc3ccccc3Cl)sc2CC(=O)O)cc1OC 19894585 JSIKXAKYZASBIV-UHFFFAOYSA-N 404.875 4.851 0 40 HJAB CCc1cccc(C)c1NC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O 20063261 AXAUHEKLCLRMFM-UHFFFAOYSA-N 420.534 4.680 0 40 HJAB CCCc1nnc2sc(-c3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3)nn12 20609824 ZHWIELNGMWABCC-UHFFFAOYSA-N 421.526 4.845 0 40 HJAB Cc1ccc(C)c(-n2c(SCC(=O)NC3CCCC3)nnc2-c2ccccc2)c1 27753145 YMSBLRCRSLZYQT-UHFFFAOYSA-N 406.555 4.702 0 40 HJAB O=C(Cc1ccc(Cl)cc1)Nc1cnn(Cc2ccc(Br)cc2)c1 27921235 POEGFEQQQAJEOA-UHFFFAOYSA-N 404.695 4.529 0 40 HJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(I)cc1C 30758041 IRTPLISHMHLBLD-ZDUSSCGKSA-N 409.267 4.568 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1 32087859 JWWIWANXGVEAGJ-GOSISDBHSA-N 422.872 4.886 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 32126726 UDDVQFMUJBIUSG-UHFFFAOYSA-N 412.323 4.739 0 40 HJAB Cc1cccc2sc(C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)c(Cl)c12 32906406 LVWYPJQFPKWKRO-UHFFFAOYSA-N 424.835 4.855 0 40 HJAB O=C(NCc1cccc(NC(=O)c2ccco2)c1)c1ccc(SC(F)F)cc1 33102858 JTUUTRVVEYPPSQ-UHFFFAOYSA-N 402.422 4.777 0 40 HJAB CC(C)c1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1 35648785 SHOTYJRRTHYCQY-UIMCMNAESA-N 411.548 4.707 0 40 HJAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1cnn(-c2ccccc2)c1C1CC1 40110595 DAXMQEGFENRGFX-UHFFFAOYSA-N 410.477 4.867 0 40 HJAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 44883954 FJYBSCRMQVMCAN-GOSISDBHSA-N 417.509 4.541 0 40 HJAB Cc1nc2ccc(NC(=O)C[C@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)cc2o1 58357851 UDLZZJVXDLAJMN-MRXNPFEDSA-N 421.400 4.597 0 40 HJAB Cc1ccc(-c2csc3ncnc(N4CCC(CCN5CCOCC5)CC4)c23)cc1 58439888 JUFWNXKIZYSJQZ-UHFFFAOYSA-N 422.598 4.605 0 40 HJAB COc1ccc(CCCNC(=O)CCCSc2ccc(Cl)cc2)cc1OC 65086676 JMRPQYPVNARABB-UHFFFAOYSA-N 407.963 4.979 0 40 HJAB Cc1cc(Br)cc(C)c1N(Cc1cc[nH]n1)Cc1noc(C(C)C)n1 96012767 YJLBCIPBRULRRC-UHFFFAOYSA-N 404.312 4.502 0 40 HJAB Cc1ccc([C@@H](c2ccccc2C)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 96182530 DYLDLSPCMNBMAC-VWLOTQADSA-N 402.513 4.990 0 40 HJAB CCOc1cc([C@H]2C3=C(O)C[C@H](c4ccc(C)cc4)CC3=Nc3ncnn32)ccc1O 102666886 XSEYJTCYBFNJAJ-HXOBKFHXSA-N 416.481 4.756 0 40 HJAB CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118935266 UVOTXHBDYFWIBF-OKTORKBISA-N 416.558 4.629 0 40 HJAB CCCCc1ccc(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220364595 FURUXTJUBIKCOT-INIZCTEOSA-N 422.978 4.784 0 40 HJAB Cc1cc(C(=O)O)ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222633293 AINGBCIQLFNDAV-DLPLYFIVSA-N 419.506 4.938 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1C[C@@H]1CCCO1 223316582 YCHPSNAKELJTJI-VLCRHTCISA-N 410.587 4.540 0 40 HJAB Fc1ccc(CCCNC(=S)Nc2ccc(N3CCc4ccccc4C3)nc2)cc1 223969364 QRMZLDFBJQGMPE-UHFFFAOYSA-N 420.557 4.703 0 40 HJAB COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C 224233004 VOEOFYZLWQLEGG-XZOQPEGZSA-N 420.582 4.632 0 40 HJAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1cccc(OC)c1 224585091 JOAPSTZCKONBAE-UHFFFAOYSA-N 405.494 4.911 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 224774418 OCHWLCKKJFFBCR-HSZRJFAPSA-N 412.549 4.565 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 225116002 GGPLMTIHVNQOAC-VXKWHMMOSA-N 424.585 4.794 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 225518970 KJDQDLSJHNJTLL-URXFXBBRSA-N 408.586 4.876 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(SCC(C)C)s1 225686572 LKOAZNYRPZVYRP-QGZVFWFLSA-N 405.589 4.961 0 40 HJAB S=C(NCc1nc(-c2ccccc2Cl)no1)Nc1ccc(Br)cc1 225818624 PTJKAFLZJWTLDN-UHFFFAOYSA-N 423.723 4.639 0 40 HJAB Cc1nc(-c2cccnc2)sc1C(=O)NCCNc1ccnc2cc(Cl)ccc12 225859571 NZFNKEFJOFLPBQ-UHFFFAOYSA-N 423.929 4.557 0 40 HJAB Cc1cc(CN(C)C(=O)c2ccc3sc(Cl)nc3c2)c(C)n1C[C@@H]1CCCO1 225985475 TYFPRIZELCHHPU-KRWDZBQOSA-N 417.962 4.819 0 40 HJAB COc1ccc(N(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1OC 408625210 ILKAPZKFDFTUJQ-UHFFFAOYSA-N 417.914 4.753 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)cc1 408682587 ZOEPZRURCXXIEG-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cc(Cl)ccc4C)cc3)C(=O)[C@H]2C1 408685177 QGRKKUHHYHXPNF-OALUTQOASA-N 408.885 4.746 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)c1 408689883 ZKUQQRYDZWNXNM-ZLXGRDSLSA-N 408.885 4.602 0 40 HJAB Cc1cc(C)nc(Nc2cc([C@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)ccn2)n1 585292560 OMLLKXLPQHXSBC-NEQMZLFVSA-N 413.525 4.651 0 40 HJAB O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N[C@@]12CCC[C@@H]1C2 1563056562 PFWNODBBTSOMNA-MEBBXXQBSA-N 412.330 4.633 0 40 HJAB C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)C1 778787 WCBOYVQRDPWZLY-OAQYLSRUSA-N 406.570 4.736 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 907209 GFEAGVLWWJFQAH-KRWDZBQOSA-N 415.522 4.757 0 40 HJAB COc1ccccc1CC(=O)N1CCC[C@H](c2nc(-c3ccc(C(C)C)cc3)no2)C1 1360047 QKHTVHUPBOBINO-NRFANRHFSA-N 419.525 4.817 0 40 HJAB COc1cccc(NC(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)c1 2637241 KIYAVNJWMTWVRS-UHFFFAOYSA-N 400.529 4.638 0 40 HJAB COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)COc1ccc(Cl)cc1 2764411 QWTUUHUTFUSQGN-UHFFFAOYSA-N 415.898 4.796 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 3336591 XRHPSIFPBYJDDS-INIZCTEOSA-N 420.582 4.850 0 40 HJAB COc1ccc(N(Cc2coc(-c3ccccc3)n2)S(=O)(=O)c2ccccc2)cc1 3441354 NLNPQMUHMBFSSY-UHFFFAOYSA-N 420.490 4.746 0 40 HJAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3ccc(Cl)cc3)N2C1=O 3636735 TVNNFVWEXUFPDQ-DOTOQJQBSA-N 406.935 4.578 0 40 HJAB CC(C)COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2)cc1 4526233 KZDBINYQYCVLGN-JCMHNJIXSA-N 404.466 4.724 0 40 HJAB Cc1ccc([C@H]2N=C(Nc3cccc(Cl)c3Cl)Nc3nc(C)cc(=O)n32)cc1 4737010 UYEHVAZRNYAFRN-SFHVURJKSA-N 414.296 4.607 0 40 HJAB CCc1ccc(Nc2nc3cc(C(=O)OC)ccc3c(=O)n2-c2ccc(C)cc2)cc1 4767710 VWIMZPSVPSFXAO-UHFFFAOYSA-N 413.477 4.787 0 40 HJAB C[C@H](Sc1nncn1-c1ccccc1F)C(=O)c1ccc(Br)cc1 4890759 ATXITXPGCRHJQA-NSHDSACASA-N 406.280 4.532 0 40 HJAB CCOc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3C)c2=O)cc1 4971925 XQVUJXODLXULAA-UHFFFAOYSA-N 412.449 4.539 0 40 HJAB C[C@H]1CCC[C@H](C)N1CCNc1nc2ccccc2c2nc(-c3ccccc3)nn12 5055225 QDGKQVCGNWUIFT-ROUUACIJSA-N 400.530 4.619 0 40 HJAB CC1CCN(CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2)CC1 5451897 XGCPUFQRFCNZNC-UHFFFAOYSA-N 410.901 4.784 0 40 HJAB COc1ccccc1NC(=O)Nc1ccc(NC(=O)Nc2ccccc2OC)cc1 5527599 FYTADWZJIOBXBW-UHFFFAOYSA-N 406.442 4.992 0 40 HJAB CC(=O)Nc1ccc(C(=O)N(C)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1 5748131 NHNMZGQJXPBSMT-UHFFFAOYSA-N 421.541 4.675 0 40 HJAB Cc1ccc(NC(=O)Cc2nc(CSc3nnc(-c4ccco4)o3)cs2)cc1 5936959 XCEINALGJXSNKX-UHFFFAOYSA-N 412.496 4.568 0 40 HJAB Clc1cccc(-c2nc(-c3ccccn3)ncc2-c2nnnn2-c2ccccc2)c1 5948179 HGRQUMRGZSFZOX-UHFFFAOYSA-N 411.856 4.502 0 40 HJAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1c(C)cccc1C 6226057 ZANLVRHSERQFPT-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB Cc1cc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)no1 6875738 YCGDUUJJIKNHJN-UXHICEINSA-N 409.511 4.620 0 40 HJAB Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1CCc1ccc(F)cc1 7617520 GLSQFERZFXKHJQ-UHFFFAOYSA-N 412.534 4.697 0 40 HJAB Cc1cc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2ccccc12 8405834 CLJUSHHVZFLIBD-HXUWFJFHSA-N 420.534 4.770 0 40 HJAB O=C(CSc1nnc(-c2cccc(Br)c2)o1)c1ccc(F)c(F)c1 8966172 OEELSPHXCUTERO-UHFFFAOYSA-N 411.227 4.752 0 40 HJAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)cc2NC1=O 9219861 NZIDEGINMZFKNP-LBPRGKRZSA-N 420.519 4.748 0 40 HJAB Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(O)c2)c1 9282766 CDICLPUGNUVSMH-HXUWFJFHSA-N 418.836 4.605 0 40 HJAB COc1ccc(OCc2nnc3sc(Cc4cccc5ccccc45)nn23)cc1 9575350 RFROKRRUIKLEMS-UHFFFAOYSA-N 402.479 4.517 0 40 HJAB CC1=Nc2ccccc2N=C(NC(=O)CSc2nccc(C)n2)[C@@H]1c1ccccc1 9698444 KXERPSCPIODEJS-NRFANRHFSA-N 415.522 4.613 0 40 HJAB O=C(COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)Nc1cccnc1Cl 9963870 NFFCITJSBYDXLA-RVDMUPIBSA-N 416.861 4.658 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O 10188162 QRXCJTGEZUVWFW-UHFFFAOYSA-N 421.859 4.798 0 40 HJAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)Nc1ccc(Cl)cc1 10273431 PIMXADPYUYGFBS-UHFFFAOYSA-N 403.869 4.836 0 40 HJAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(Cl)cc1 10315261 UUXFSTSXUBJSLM-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 10369727 VQXCIPUNOQEACM-UHFFFAOYSA-N 422.506 4.559 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2OCc2ccc(F)cc2)c1C 10587272 KWUALZADHMNHNE-UHFFFAOYSA-N 423.440 4.592 0 40 HJAB CCc1ccccc1NS(=O)(=O)c1c(-c2ccc(C)cc2)csc1C(=O)OC 12414317 FMTMMGHHOOHLCS-UHFFFAOYSA-N 415.536 4.873 0 40 HJAB Cc1cc(C)cc(N2C[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)c1 12414361 LHGUSGGYCMGXCW-OAHLLOKOSA-N 401.388 4.893 0 40 HJAB O=C(NCCCn1cnc2ccccc21)c1ccccc1OCc1ccc(F)cc1 12490365 JQTXTRZLECTLMU-UHFFFAOYSA-N 403.457 4.575 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 12599219 IRNZMZJNBHDRTL-UHFFFAOYSA-N 409.795 4.865 0 40 HJAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2cccc(Cl)c2Cl)C1 12748652 WFNHXFCCFTUMBK-PCUGXKRQSA-N 403.309 4.884 0 40 HJAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 12778270 XBCBKSAGPROPIP-UHFFFAOYSA-N 415.946 4.500 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 13003252 QUMWUDAKSYYNPI-HNNXBMFYSA-N 400.544 4.545 0 40 HJAB CCOc1ccc(-c2nc(CN(C)CC(=O)Nc3ccc(Cl)cc3)cs2)cc1 13038968 JZLUBMYCRXVIFF-UHFFFAOYSA-N 415.946 4.933 0 40 HJAB COc1ccc(C)cc1NC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(C)nn2c1C 13635618 LFJUIRUYOGWSNO-UHFFFAOYSA-N 421.888 4.631 0 40 HJAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1c(F)cccc1Cl 13709840 BSZOAJMJDNKKLZ-GFCCVEGCSA-N 402.318 4.949 0 40 HJAB CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O 13712601 AXTSPDZWURPWBW-IBGZPJMESA-N 422.978 4.955 0 40 HJAB COCCCNC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 13856365 PTJBAAXEKFBNKA-FCDQGJHFSA-N 414.505 4.632 0 40 HJAB CCn1c(CN(Cc2ccncc2)Cc2ccc(OC)cc2OC)nc2ccccc21 13989862 YNZOVILKBJXSFX-UHFFFAOYSA-N 416.525 4.671 0 40 HJAB COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)c1 15081454 MYWKOYQMHDTZBB-HNNXBMFYSA-N 409.463 4.605 0 40 HJAB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN(c2ccccc2O)CC1 15924936 IVKKRWHQCZYHHD-UHFFFAOYSA-N 409.489 4.570 0 40 HJAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 17087483 BHROOFFTTLOXRV-UHFFFAOYSA-N 406.555 4.868 0 40 HJAB COc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 17242139 HMBDRDWKYQYLDZ-MYNGYRLFSA-N 415.876 4.745 0 40 HJAB COc1ccc(Nc2nc(N3CCC[C@H](C)C3)nc3c2cnn3-c2ccccc2)cc1 17245757 CKGFYTIVOUWRHJ-KRWDZBQOSA-N 414.513 4.804 0 40 HJAB COc1cccc([C@@H](Nc2nc(-c3cccnc3)nc3ccccc23)c2nccn2C)c1 17591161 JNVDWRNYBABBKB-JOCHJYFZSA-N 422.492 4.635 0 40 HJAB CN=[S@](=O)(OCCCCO[S@](=O)(=NC)c1ccc(C)cc1)c1ccc(C)cc1 18099041 RJQCIWWTUUTPJA-HNRBIFIRSA-N 424.588 4.560 0 40 HJAB CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)Cc3cccs3)CC2)n1 19084715 LTPRWFNRFZQFOD-UHFFFAOYSA-N 420.582 4.846 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCCN2C(=O)Cc2cccc(Cl)c2)on1 19121852 GWLUJBDHWFFEAL-LJQANCHMSA-N 410.905 4.698 0 40 HJAB Cc1cccc(C(=O)Nc2ccc(OCC(=O)O)c(-c3nc4ccccc4s3)c2)c1 20157822 IZECISKEDZYMCI-UHFFFAOYSA-N 418.474 4.987 0 40 HJAB COc1cc(CN(C(=O)c2cc(Cl)ccc2OC)C2CC2)ccc1OC(F)F 21600314 ARZHHORWPXWFET-UHFFFAOYSA-N 411.832 4.763 0 40 HJAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)N2CCCCC2)cc1 28289030 FNCPRDGLRKKBQE-JOCHJYFZSA-N 418.537 4.675 0 40 HJAB C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)N1CCC(Cc2ccccc2)CC1 32774511 IMFJXWBPBGGNDH-SFHVURJKSA-N 421.566 4.622 0 40 HJAB CCn1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)c3c(C)noc3n2)n1 36617997 BTVHXDFALGTIEZ-HNNXBMFYSA-N 403.486 4.522 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38853752 QQOOAIHGSNLRFW-UHFFFAOYSA-N 421.324 4.615 0 40 HJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)N1CCCC1 44883554 RIDHNPGZDFZOGO-QFIPXVFZSA-N 402.494 4.872 0 40 HJAB Cc1nc(-c2cc(C)n(CC(=O)Nc3c(C)nn(-c4ccccc4)c3C)c2C)cs1 55255041 YOMZCGFFIRNIQI-UHFFFAOYSA-N 419.554 4.978 0 40 HJAB CS(=O)(=O)c1cccc(NC(=O)N2CCC(c3cccc4ccccc34)CC2)c1 58613417 JOKFIVNMMPWAEV-UHFFFAOYSA-N 408.523 4.655 0 40 HJAB O=c1c2ccccc2c(-c2nc(-c3ccc(F)cc3)no2)nn1-c1cccc(Cl)c1 64949854 SXBUZJAPQBZZHB-UHFFFAOYSA-N 418.815 4.895 0 40 HJAB COc1ccc(OC)c(C(=O)Nc2ccc(Br)cc2C(F)(F)F)c1 72310505 GBCRCFOYNFGKGV-UHFFFAOYSA-N 404.182 4.737 0 40 HJAB O=C(Cn1ccc2ccccc21)N1CCc2[nH]c3ccc(OC(F)(F)F)cc3c2C1 72401189 WHIBLAGVBTXHHU-UHFFFAOYSA-N 413.399 4.606 0 40 HJAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cccc(-c4ncco4)c3)c12 89567364 RFMQAOUAGVESPV-UHFFFAOYSA-N 415.478 4.913 0 40 HJAB CCOc1cc([C@@H]2C3=C(O)C[C@H](c4ccc(C)cc4)CC3=Nc3ncnn32)ccc1O 102666883 XSEYJTCYBFNJAJ-UZUQRXQVSA-N 416.481 4.756 0 40 HJAB O=C(O)/C=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 110418720 UBECPRWYTXSEJD-XBXARRHUSA-N 412.077 4.888 0 40 HJAB C[C@@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219050908 XLTIZAYVUBZPSH-OAHLLOKOSA-N 421.884 4.969 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCCCCC4)cc3)n2)c1 219964683 UYSXDXKGLCSFET-UHFFFAOYSA-N 418.541 4.693 0 40 HJAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 223026355 IPBCJRVWJUHGOK-WOJBJXKFSA-N 413.930 4.614 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1Cc1ccco1 223331645 RSNGPVPCMOMIAG-JKSUJKDBSA-N 420.357 4.671 0 40 HJAB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 223337794 CVUZXRIESPMBBL-PKTZIBPZSA-N 414.534 4.946 0 40 HJAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 223482227 NBHOTAUKLGQSCR-QHCPKHFHSA-N 408.473 4.605 0 40 HJAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 223904093 MNRSDNYCAVSFDB-YADHBBJMSA-N 405.571 4.707 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 224041050 VZBGJCSPODVDGU-UHFFFAOYSA-N 424.522 4.619 0 40 HJAB Cc1ccc(SCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 224650487 BWHZQPUZYJSYNS-PGMHBOJBSA-N 422.575 4.736 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225101951 FJGBYSCDYHHJGL-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB Cc1ccccc1CN(C(=O)COc1ccccc1C(C)(C)C)[C@H](C)C(=O)NC(C)C 225495136 CFVFHDNIIGINJP-HXUWFJFHSA-N 424.585 4.613 0 40 HJAB CCOC1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCCCC1 225709263 HITIMQYROAGYIV-WOJBJXKFSA-N 402.579 4.721 0 40 HJAB O=C(N1CCOC[C@@H](Cc2cccc3ccncc23)C1)C1(c2ccccc2)CCCC1 257247031 IXBZIBPYLKXYRZ-NRFANRHFSA-N 414.549 4.764 0 40 HJAB O=C(C(=O)N1CCCC1)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408570391 LILMPSYTMLSHAK-UHFFFAOYSA-N 401.293 4.802 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1 408713168 MOLQZWZADUIBDO-UHFFFAOYSA-N 424.522 4.797 0 40 HJAB C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)c1ccccc1 409003337 RXODRHWJILZVAA-YADARESESA-N 414.505 4.628 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C 573833367 ROSDFSODNGKBSD-YWZLYKJASA-N 409.917 4.696 0 40 HJAB Cc1ccccc1[C@H]1CC(=O)c2c(nc3c(c(C)nn3-c3cccc(F)c3)c2N)C1 618255892 BNBYUIQIBFSXGW-OAHLLOKOSA-N 400.457 4.671 0 40 HJAB Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 1520238566 GHGOKIAKHZKFPD-CHWSQXEVSA-N 407.342 4.525 0 40 HJAB CCOC(=O)C1=C(C)NC(c2nc(Cl)cs2)=N[C@@H]1c1ccc(F)cc1Cl 1857793295 KZHFTINKGILWEN-CQSZACIVSA-N 414.289 4.517 0 40 HJAB COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1OC 624177 MGEMVQRCYQXRMP-UHFFFAOYSA-N 404.491 4.911 0 40 HJAB CCOc1ccc2[nH]c(=O)c(-c3nc4ccccn4c3NC3CCCCC3)cc2c1 1330323 RTABSODDEWBZLO-UHFFFAOYSA-N 402.498 4.986 0 40 HJAB COc1cccc(C(=O)CSc2nnc3c4c5c(sc4nc(C)n23)CCCC5)c1 1372314 YIMOKBCZYOWJTC-UHFFFAOYSA-N 424.551 4.510 0 40 HJAB CC(C)CCNC(=O)c1c(N)n(-c2ccccc2Cl)c2nc3ccccc3nc12 2359213 AEMBGPJXUHDJTI-UHFFFAOYSA-N 407.905 4.585 0 40 HJAB CCCc1nc2oc3c(NCc4ccccn4)ncnc3c2c2c1COC(C)(C)C2 2440024 LHYIQOJGTMQHCN-UHFFFAOYSA-N 403.486 4.582 0 40 HJAB CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3ccc(C(C)(C)C)cc3)N2C1=O 3636713 AIFBFOSVAYAEPS-IEBWSBKVSA-N 414.571 4.974 0 40 HJAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3cc(C)c(C)cc3C)c3ccccc32)cc1 4555172 TWMSGINTKKFKMH-MHZLTWQESA-N 413.517 4.928 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C(C)C)cc1 4816697 CZHHCKIHBOYPHG-UXHICEINSA-N 410.905 4.664 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 4816748 VEGAOXVSBYYXBE-XZOQPEGZSA-N 410.477 4.668 0 40 HJAB COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 4931095 GGTBYVSNLZCOEO-OFVILXPXSA-N 414.461 4.709 0 40 HJAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccc(Br)cc1 5152765 VXHNEUIEBNRFCT-IBGZPJMESA-N 411.299 4.576 0 40 HJAB COc1ccc2nc(N(Cc3ccccn3)C(=O)/C=C/c3ccccc3)sc2c1 5265115 JPOCJPPDCGSHDC-JLHYYAGUSA-N 401.491 4.947 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c1C 6269080 XAFIGRSYSSRSCZ-UHFFFAOYSA-N 407.850 4.881 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2ccccc2c1 6508785 OSZRMPQSGSOVTO-UHFFFAOYSA-N 408.523 4.575 0 40 HJAB CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(=O)oc2c(C)c(C)ccc12 6551288 RRUPHORIPFZAGX-UHFFFAOYSA-N 412.917 4.832 0 40 HJAB O=C([C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1)N1CCCC1 6976238 URPYMEQJWNUSKO-FQEVSTJZSA-N 404.539 4.601 0 40 HJAB CCN(CC)C(=O)[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 6976302 RGYJUDZSTDLYNV-HXUWFJFHSA-N 406.555 4.847 0 40 HJAB C[C@@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21 7547038 RLYAQZROVKOBFV-UTKZUKDTSA-N 415.562 4.929 0 40 HJAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(C)cc1Cl 7615939 SNEOAWPUWZKCAI-UHFFFAOYSA-N 409.916 4.841 0 40 HJAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 8136872 VIAQQKMDVJCPDY-UHFFFAOYSA-N 411.461 4.991 0 40 HJAB Cc1ccc([C@H]2c3c(-c4ccc(C)cc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 8845676 QKYYKBRRLKKOHS-DEOSSOPVSA-N 410.477 4.540 0 40 HJAB CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc2c(c1)CCCC2 9193351 DRCHZRUOKKOAED-UHFFFAOYSA-N 418.566 4.525 0 40 HJAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 9199016 RAPXQMDCVBXYAJ-UHFFFAOYSA-N 407.417 4.718 0 40 HJAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2cccs2)n1 9608996 NGBZWNCJNCJUPY-UHFFFAOYSA-N 407.520 4.736 0 40 HJAB Cc1c(C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)sc2ccccc12 9910319 MMFIOBJIDMJDNY-HSZRJFAPSA-N 418.474 4.606 0 40 HJAB O=C(OCc1ncc(-c2ccccc2)o1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 9984276 UJCDQZYHSANJKL-UHFFFAOYSA-N 422.444 4.946 0 40 HJAB CCc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(OC)cc2OC)CC3=O)cc1 10156875 LPZPNURVTJJVCB-MRXNPFEDSA-N 403.482 4.713 0 40 HJAB CCN(CC)CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1ccccc1 10233063 RHPCJQKRCXMDQA-OAQYLSRUSA-N 424.928 4.642 0 40 HJAB COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C(F)(F)F)CSC3)cc1 11667414 FEUBHPFNHLPGPS-UHFFFAOYSA-N 419.428 4.899 0 40 HJAB CCCSc1nc2ccccc2n1CC(=O)Nc1cc(OC)c(Cl)cc1OC 12520440 AMOQKLPMBQZOAT-UHFFFAOYSA-N 419.934 4.848 0 40 HJAB Cc1cccnc1-n1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nc2ccccc2c1=O 12522090 YPIUPDXAAUGFAG-AWEZNQCLSA-N 421.526 4.623 0 40 HJAB O=C(COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)Nc1cccnc1Cl 12532194 QTGGKECYYQMUDW-UPFYTXMWSA-N 424.928 4.755 0 40 HJAB Nc1nc2n(n1)[C@H](c1c(F)cccc1Cl)C[C@H](c1ccc(Br)cc1)N2 12629786 JUPSJZLFMGUQSX-KGLIPLIRSA-N 422.689 4.562 0 40 HJAB CCCc1ccc(-c2nc(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)sc2C)cc1 12817482 CYVZUORHMIOYHG-LJQANCHMSA-N 421.570 4.716 0 40 HJAB CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3ccccc3)cc12 13564676 BFIHLBQYECDQQC-UHFFFAOYSA-N 420.944 4.955 0 40 HJAB CN(C)c1ccc(-c2nnc3sc(COc4cccc5ccccc45)nn23)cc1 13956989 GFJPOOAIMSBCMU-UHFFFAOYSA-N 401.495 4.651 0 40 HJAB C[C@H](NCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1ccc(F)cc1 14142353 ICAVFXWIOMSTMK-KSSFIOAISA-N 413.543 4.977 0 40 HJAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 16101159 ZBBRGIHTJPFMQK-UHFFFAOYSA-N 411.104 4.565 0 40 HJAB CCSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 17316833 FAPKFEOXUUFZHZ-FQEVSTJZSA-N 419.554 4.935 0 40 HJAB Cn1c([C@@H]2Sc3ccccc3NC2=O)ccc1[C@H]1Sc2ccccc2NC1=O 18126215 YVYPZZKMPZYZJS-KDURUIRLSA-N 407.520 4.596 0 40 HJAB Cc1ccc(Cc2cnc(NC(=O)[C@H]3CC(=O)Nc4ccccc43)s2)cc1Cl 22867082 JYRQYDKJYOQRRF-INIZCTEOSA-N 411.914 4.760 0 40 HJAB CCCCN(C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)c1ccccc1 28243281 HBBYOPWLBSLIHF-UHFFFAOYSA-N 403.526 4.960 0 40 HJAB CCOc1ccc(-c2nsc(NC(=O)c3ccccc3Br)n2)cc1 28287248 JDNZNYNPFKMCQB-UHFFFAOYSA-N 404.289 4.619 0 40 HJAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 32753143 NHCXVMIZOVAXOE-UHFFFAOYSA-N 413.395 4.930 0 40 HJAB O=C(CN1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1)Nc1ccccc1 32906780 BHBYXJUOVBKNRH-UHFFFAOYSA-N 422.532 4.663 0 40 HJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1Cl 44884551 AFMPZKDYRWLUBZ-GFCCVEGCSA-N 423.918 4.653 0 40 HJAB O=C(CCOc1ccccc1-c1ccccc1)NCc1ccc(Cn2ccnc2)cc1 46456440 ZGVWZLJYLOYDTA-UHFFFAOYSA-N 411.505 4.684 0 40 HJAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2ccccc2)cc1 57315207 WYEKGKARFDMDHV-SFHVURJKSA-N 417.509 4.627 0 40 HJAB CC(C)C(=O)c1cn(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)c2ccccc12 64987075 HGCCARNLNKDTJE-KRWDZBQOSA-N 420.509 4.519 0 40 HJAB O=C(Nc1cc(-c2nc3cc(Br)ccc3[nH]2)ccc1Cl)[C@@H]1CCCO1 72313713 MOJTYGJFMYRRRS-INIZCTEOSA-N 420.694 4.763 0 40 HJAB O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccccc2F)C1)c1ccccc1 72341437 JUNUIEZXUONSIU-FPOVZHCZSA-N 409.530 4.666 0 40 HJAB CCOc1ccc2nc(NS(=O)(=O)c3cc(C(C)C)ccc3OC)sc2c1 72414481 BLYRTUCAFGGJFX-UHFFFAOYSA-N 406.529 4.628 0 40 HJAB O=C(NCc1ccc(Cl)cc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607593 GQBJWGMROUQFBY-UHFFFAOYSA-N 413.827 4.507 0 40 HJAB CC(=O)N(c1ccccc1)c1nc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cs1 96635001 UWWGXHRRDYLGRE-WOJGMQOQSA-N 423.881 4.826 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 222623824 UXDFGWRXMIPJIZ-XMSQKQJNSA-N 414.977 4.647 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 223042857 YWQZAEVAIXONGN-GOSISDBHSA-N 400.950 4.525 0 40 HJAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1)c1ccccc1 223184996 RFSDWDZCNYRYPF-YVUGPFRESA-N 420.534 4.795 0 40 HJAB COc1ccc(CNC(=S)Nc2ccc(N3CCCc4ccccc43)nc2)cc1 223927226 VRHIAWPBPLEVAF-UHFFFAOYSA-N 404.539 4.661 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2ccc(Cl)cc2)c1 224302404 YTUXFSPXQCJKAP-JWGURIENSA-N 422.912 4.761 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1C 225034712 BGZZWXMDOOLETJ-DEOSSOPVSA-N 406.570 4.794 0 40 HJAB Cc1nccn1-c1ccc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225458574 NGYSQDYOWGNUGO-UHFFFAOYSA-N 406.555 4.989 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 225535726 JASYKGXBJQLBSE-KRWDZBQOSA-N 418.990 4.515 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C 225549311 DZNDSIXTYDXREN-ZJSXRUAMSA-N 408.586 4.876 0 40 HJAB COc1cccc(NC(=O)Nc2cc3nc(-c4ccccc4)oc3nc2C)c1OC 225626714 BYZRLIHCDIIPPZ-UHFFFAOYSA-N 404.426 4.859 0 40 HJAB O=C(O)c1ccc(CN(C(=O)c2ccc3nc(Cl)oc3c2)C2CCCCC2)o1 225980806 NIPUTKWXALCDKF-UHFFFAOYSA-N 402.834 4.748 0 40 HJAB Cc1cc(N)c(NC(=O)c2cccc(Br)c2)cc1N1CCCC[C@@H]1C 226330303 RHFXOHCDWWUUMN-AWEZNQCLSA-N 402.336 4.971 0 40 HJAB c1ccc(CN2CC[C@H](NCc3ccc4c(c3)OCO4)[C@@H](c3ccccc3)C2)cc1 253588631 KXBHLDGIMNJBAC-RPWUZVMVSA-N 400.522 4.563 0 40 HJAB C=CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C(C)C)CC1 257207712 BIWZWTGOAJQQDF-UHFFFAOYSA-N 422.544 4.602 0 40 HJAB CCOc1ccc(-c2csc(NC(=O)c3sc(C)nc3C)c2C(=O)OC)cc1 334161066 SBQGRKUFEYKZQF-UHFFFAOYSA-N 416.524 4.926 0 40 HJAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408561933 LTLOKZVMAKSENN-UHFFFAOYSA-N 416.330 4.668 0 40 HJAB COc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 408951302 IPGKXKPVZXKEFI-MOSHPQCFSA-N 408.454 4.862 0 40 HJAB CCCN1C(=O)/C(=C\c2cc(Br)c(OC)c(OC)c2)c2ccccc21 409109924 NZYNKMFDQYOZII-GDNBJRDFSA-N 402.288 4.764 0 40 HJAB O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 588928381 GFMUTLCYEWWCCN-IAGOWNOFSA-N 406.452 4.546 0 40 HJAB COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)NC(C)(C)C 679398 WIUCXSUEEWQQCK-UHFFFAOYSA-N 411.329 4.908 0 40 HJAB O=C1C(Cl)=C(Nc2cccc(O)c2)C(=O)N1c1cc(Cl)c(Cl)cc1Cl 938218 OUOPGBDTSQGDGI-UHFFFAOYSA-N 418.063 4.788 0 40 HJAB COc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 1850459 JDDPFIMRFNYSGI-RUZDIDTESA-N 417.461 4.581 0 40 HJAB CSc1nc2sc3c(c2c2nnc(SCc4ccc(F)cc4)n12)CCC3 2212187 IDMZRDNSPVDVQQ-UHFFFAOYSA-N 402.545 4.981 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c1 2454522 DDLUQDJZOSWQCC-UHFFFAOYSA-N 404.495 4.626 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2Nc2ccccc2)c1C 3302706 SBXDTPYLXZCZKJ-UHFFFAOYSA-N 420.465 4.592 0 40 HJAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N[C@@H]1CCCc2ccccc21 3519260 BDDMLTLAROQXRE-LJQANCHMSA-N 404.495 4.504 0 40 HJAB COC(=O)c1c(C(C)(C)C)oc2cc(C)c(NS(=O)(=O)c3ccccc3)cc12 4735822 HEFDYTXIVBIVBG-UHFFFAOYSA-N 401.484 4.626 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1 5099328 VABIVCQMSDBKBE-UHFFFAOYSA-N 410.857 4.787 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1 5136277 XHERFNPSGSFYRY-UHFFFAOYSA-N 406.507 4.992 0 40 HJAB C[C@H](Sc1nc2c(n1-c1ccccc1)CCCC2)c1nc2ccccc2c(=O)[nH]1 5184643 OPCAVQMDCZKSKH-HNNXBMFYSA-N 402.523 4.841 0 40 HJAB Fc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 5603171 KVRHKXLTAFXWKC-RDPSFJRHSA-N 402.425 4.839 0 40 HJAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 6386930 DVNWEUIPFIWUKL-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)c2nc(SCCC)ncc2Cl)cc1 6810512 VRTZHLCKCQRWBM-UHFFFAOYSA-N 407.923 4.841 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCC[C@H]2CCCC[C@H]21 7329473 AVCVUOYBLQUEQX-IEBWSBKVSA-N 422.554 4.801 0 40 HJAB O=C(Nc1ccccc1N1CCCC1)c1ccccc1OCCOc1ccccc1 7718768 ZUJIHKFOVXILQF-UHFFFAOYSA-N 402.494 4.997 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2ccccc2SC(F)F)cc1OCC 7940295 DZPVSOPJHRFJEW-UHFFFAOYSA-N 403.472 4.600 0 40 HJAB CC[C@H](C)[C@@H](C(=O)Nc1cc2c(cc1Br)OCCO2)c1ccccc1 8404858 DRGVEJQXIWCSTB-ORAYPTAESA-N 404.304 4.989 0 40 HJAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)on3)c3cc(C)ccc3n2)cc1 8475005 NJPDFYDKQCUMNP-UHFFFAOYSA-N 415.449 4.611 0 40 HJAB Cc1ccccc1NC(=O)Cc1nc(COC(=O)C[C@H](C)c2ccccc2)cs1 8754575 MVDNRZLAJDVTFB-KRWDZBQOSA-N 408.523 4.870 0 40 HJAB O=c1[nH]c(SCc2cccc(C(F)(F)F)c2)nc2c(-c3ccc(F)cc3)cnn12 9106867 CDTNAHAQUPCUPQ-UHFFFAOYSA-N 420.391 4.535 0 40 HJAB Cc1nc2[nH]c(SCC(=O)Nc3ccc(C(C)C)cc3)nc2cc1Br 9308480 UJMURIOESUXVIX-UHFFFAOYSA-N 419.348 4.883 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)ccc1Cl 11913987 JYXGLXMAFSQEBS-AWEZNQCLSA-N 415.877 4.892 0 40 HJAB CC1(C)Cc2ccccc2C2=C(c3ccc4ccccc4n3)[C@](O)(C(F)(F)F)C(=O)N21 12402476 RUOVXVBTVMYFFL-HSZRJFAPSA-N 424.422 4.573 0 40 HJAB Cc1ccc(-c2nc(C)sc2CC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 12569529 KLCKKTSOZWUBTM-HXUWFJFHSA-N 423.582 4.906 0 40 HJAB Fc1ccc(-c2csc3ncnc(SCc4nnnn4-c4ccccc4)c23)cc1 12942493 XZSLVYRJOWIGLC-UHFFFAOYSA-N 420.498 4.765 0 40 HJAB Cc1cc(OCC(=O)N2CCN(c3ccccc3C)CC2)c(C(C)C)cc1Cl 13096653 AWIVCVSBGBUNFR-UHFFFAOYSA-N 400.950 4.808 0 40 HJAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 13284026 SAMIMDRQJRXUIK-UHFFFAOYSA-N 423.416 4.510 0 40 HJAB CCc1nn2c3c(nnc2c1-c1ccc(OC)cc1)C(=O)C[C@@H](/C=C/c1ccccc1)C3 13610892 QPLDSYNZGYZYRR-BBVFFXRHSA-N 424.504 4.821 0 40 HJAB COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1COc1ccc(-c2ccccc2)cc1 13961502 KZNCPDBPSXLOOG-FYYLOGMGSA-N 421.518 4.729 0 40 HJAB CC(=O)c1ccc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)cc1 15881579 UWOIYIGYABPSEN-UHFFFAOYSA-N 416.481 4.731 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](C)N(C)C2CCCCC2)sc2c1CC[C@H](C)C2 15911530 JAENTPXHDYDHRN-GJZGRUSLSA-N 406.592 4.641 0 40 HJAB CCOc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)ccc1OCC(C)C 16308034 VFTDKEORAPIJNI-HXUWFJFHSA-N 407.514 4.974 0 40 HJAB CC(=O)c1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@H](C)C4)nc23)cc1 17245567 LJLQZASDHKCPSY-KRWDZBQOSA-N 417.509 4.691 0 40 HJAB CCCn1c(C)cc2cc(NC(=O)c3noc(C)c3Cn3nc(C)cc3C)ccc21 19525989 GCXWIVSKVRNEBU-UHFFFAOYSA-N 405.502 4.770 0 40 HJAB Cc1scc(C(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)c1C 19561838 DIHSBEWGOYQMIW-UHFFFAOYSA-N 411.575 4.638 0 40 HJAB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1[C@H]1CC=CCC1 19818222 FCLOAWQVNAAUKG-YYWHXJBOSA-N 409.530 4.506 0 40 HJAB CCCCOC(=O)c1ccc2nc(NC(=O)COc3cc(C)cc(C)c3)sc2c1 20411533 YPWYBVQUEFWZKJ-UHFFFAOYSA-N 412.511 4.888 0 40 HJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N(Cc1ccco1)Cc1cccs1 24460558 MFGQJIOVPBNEEB-UHFFFAOYSA-N 411.458 4.692 0 40 HJAB COc1ccc(-c2nn3cc(-c4ccc5c(c4)OCCO5)c4c3n2CCCC4)cc1 28114253 CPHVKDKJPBKQHO-UHFFFAOYSA-N 401.466 4.586 0 40 HJAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCC[C@@H]1c1nc2ccccc2s1 31392807 YLNLXPNHPAGFJI-HXUWFJFHSA-N 414.534 4.948 0 40 HJAB COc1ccc([C@H](C)NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1F 32714441 GUWSVOXMABFPFD-AWEZNQCLSA-N 410.420 4.717 0 40 HJAB O=C(c1cccs1)N1CCN(Cc2c(-c3ccccc3)[nH]c3ccccc23)CC1 32717148 WWNZBYKCMQWGHW-UHFFFAOYSA-N 401.535 4.854 0 40 HJAB COc1ccccc1[C@@H](C)N(C)C(=O)COc1ccc(Cl)cc1Br 32796587 MKFUCKWBKQYJEO-GFCCVEGCSA-N 412.711 4.710 0 40 HJAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCSc3ccc(Cl)cc32)CC1 32801992 YEBJBTQMBCSTQY-UHFFFAOYSA-N 414.958 4.640 0 40 HJAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2csc(-c3ccccc3)n2)CC1 40037398 RWGNBGRLCWPEKO-UHFFFAOYSA-N 420.534 4.676 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 44883529 ULKBXKPHFKZNSX-OAHLLOKOSA-N 407.919 4.863 0 40 HJAB Cc1cccnc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 44921274 PKAXPGVAIWBWQL-NRFANRHFSA-N 403.526 4.824 0 40 HJAB Cn1c2c(sc1=O)[C@H](c1c(F)cccc1Cl)CC(=O)N2c1ccc(F)cc1 49544091 DPTZRIAWYASWGZ-LBPRGKRZSA-N 406.841 4.579 0 40 HJAB CN(Cc1ccc(C(F)(F)F)cc1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S 52569674 HFHGRGHMUDYEQL-UHFFFAOYSA-N 419.476 4.919 0 40 HJAB CCN(Cc1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1)C(=O)C(F)(F)F 58099673 DMWXMHBZPPQPLJ-OAHLLOKOSA-N 424.488 4.858 0 40 HJAB Cc1ccc(NC(=O)c2cnc3scc(-c4ccc(F)cc4)n3c2=O)cc1Cl 64787896 SLGJDONYOCYXKI-UHFFFAOYSA-N 413.861 4.776 0 40 HJAB Cc1c(CNC(=O)CSC2CCCC2)sc2nc(-c3ccc(F)cc3)cn12 90642770 RWIFQHFTQXOJPQ-UHFFFAOYSA-N 403.548 4.802 0 40 HJAB O=C(C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21)NCC1CC1 96052673 ZIGRJVKLWVLJRB-OAQYLSRUSA-N 406.545 4.763 0 40 HJAB CC[Si](CC)(CC)c1c(Br)cc(C(=O)OC)cc1Br 219797100 FTJUGWYJFVYXBH-UHFFFAOYSA-N 408.206 4.714 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1cccnc1 222591088 CVGLJZPKXGQJAF-SSKFGXFMSA-N 403.555 4.533 0 40 HJAB C[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 222657863 PWKUSMXBZYFZKV-LBPRGKRZSA-N 412.338 4.875 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 224195469 GFWZBXOLUMUWFE-XMMPIXPASA-N 422.569 4.548 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 224399890 VTTKEPSFFPRUNT-DEOSSOPVSA-N 424.560 4.851 0 40 HJAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 224420931 XOHVAVPJRQOSHG-VXKWHMMOSA-N 415.497 4.584 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225232272 QDICWTLOAHLHFT-IIBYNOLFSA-N 409.526 4.760 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 225617101 GXQBXMYJKWDYME-AVRDEDQJSA-N 414.977 4.995 0 40 HJAB CC(C)Oc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 225649893 UHBHFMHOMOFARM-QNGOZBTKSA-N 406.507 4.945 0 40 HJAB Cc1ccc(C(=O)Nc2cc(Br)ccc2-c2ccc(C(=O)O)o2)cc1 226356666 YURGSHLXGBVRFG-UHFFFAOYSA-N 400.228 4.968 0 40 HJAB COc1ccc(/C=C/C(O)=C2/C(=O)N(C)[C@@]34CCC[C@H]3[C@H]2c2ccccc2O4)cc1 245245868 WEFNKOCLNNKQFW-LVIUGIHTSA-N 403.478 4.665 0 40 HJAB CC(C)N1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3ccc4ncccc4c3)c2)C1 257264543 LUXQBGCXUSIEGZ-NRFANRHFSA-N 412.541 4.830 0 40 HJAB Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)s1 257277761 NZGGHUTZLLXXRB-GOSISDBHSA-N 415.946 4.898 0 40 HJAB O=C(c1ccc(F)cc1)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CC3)c12 306129604 IHYWCKIULUGUCW-UHFFFAOYSA-N 417.484 4.623 0 40 HJAB COc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccccc2C)n1 408697025 DSAGWCMUQJYAPC-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCC(C)CC5)C4=O)cc3)sc2c1 689527 QWTJMGMRBVRYLJ-FQEVSTJZSA-N 419.550 4.636 0 40 HJAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1C 788078 DOYSYUDYFVPBEY-HSZRJFAPSA-N 402.494 4.780 0 40 HJAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(Br)o4)cc3n2)cc1C 989991 YYJQJKMFOIRDQD-UHFFFAOYSA-N 411.259 4.645 0 40 HJAB COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc(C(C)=O)c1C 1107929 BJNZYNXKIRYYLW-SKDRFNHKSA-N 404.315 4.575 0 40 HJAB Cc1cc(C)c(S(=O)(=O)c2ccccc2)c(OC(=O)c2c(F)cccc2Cl)n1 1391663 SUEWOMDHUSXHMK-UHFFFAOYSA-N 419.861 4.543 0 40 HJAB COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCC4)cc1 2374055 ZFJJZQQSQMFPGZ-UHFFFAOYSA-N 405.479 4.888 0 40 HJAB Cc1ccc(NC(=O)COc2ccc(F)cc2Br)c(Br)c1 2653171 AHAYNOOTDUGFNS-UHFFFAOYSA-N 417.072 4.677 0 40 HJAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 2767826 OENBRSLSVSGSTI-HOTGVXAUSA-N 415.511 4.648 0 40 HJAB Cc1ccccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 3117997 JKDOSSDQZVGBRR-QHCPKHFHSA-N 413.477 4.815 0 40 HJAB biogenic,in-vitro O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccc(-c2ccccc2)cc1 3297796 WFNMYXVBMUQXRM-UHFFFAOYSA-N 416.502 4.887 0 40 HJAB COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc1 3327159 HRMADWOJBNEYAN-QFIPXVFZSA-N 424.522 4.954 0 40 HJAB Cc1ccnc2nc(C(=O)N(c3cccc(Cl)c3)c3nc4ccccc4s3)nn12 3404484 YTZIMUAMSKVNTD-UHFFFAOYSA-N 420.885 4.674 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 3444806 GFJCCTLGAPNESU-MRXNPFEDSA-N 405.425 4.665 0 40 HJAB CCOC(=O)CCC(=O)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12 4341981 YCYATNKBHCMIHA-UHFFFAOYSA-N 414.845 4.620 0 40 HJAB Cc1ccc(OCc2nn3c(-c4ccccc4Br)nnc3s2)cc1 4664998 LQSFITPDDJVMNT-UHFFFAOYSA-N 401.289 4.503 0 40 HJAB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(Br)c2)cc1 4746963 UXTJPWIVVPYLAW-GFCCVEGCSA-N 407.333 4.753 0 40 HJAB O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)Oc1ccccc1 5375325 XWNGUQZIINNOKY-UHFFFAOYSA-N 414.508 4.501 0 40 HJAB O=C(CCCCCCCC(=O)OCCC[C@H]1CCCO1)OCCC[C@H]1CCCO1 5600267 IDUZRQQUVSIVCT-NHCUHLMSSA-N 412.567 4.722 0 40 HJAB CC(C)(C)c1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 6053634 GTMUVGSOTHIHMG-PGMHBOJBSA-N 413.481 4.867 0 40 HJAB COc1ccc(NC(=S)NC(=O)c2ccc(C)cc2Cl)cc1Br 6275898 FKXDVEHNCOOVSA-UHFFFAOYSA-N 413.724 4.546 0 40 HJAB CCOc1ccc(OCCOC(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)cc1 6553031 BVUTWBYNZQWFNK-KRWDZBQOSA-N 405.494 4.994 0 40 HJAB CCOc1ccc(C[C@@H]2SC(=O)N(c3ccccc3Cl)C2=O)cc1OCC 6964439 QJMJBYIMBMYKJP-SFHVURJKSA-N 405.903 4.949 0 40 HJAB Cc1cc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)nc2c(C)cccc12 7090156 LQCBBFXZHLXSCZ-MRXNPFEDSA-N 405.523 4.708 0 40 HJAB CCOc1ccc(CN(C)C(=O)c2ccccc2OCc2ccccc2)cc1OC 7814164 QXCPGVFTILSGCX-UHFFFAOYSA-N 405.494 4.945 0 40 HJAB C[C@H](Sc1nccn1C)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 8135879 CWTOEGLRYYJFDS-AWEZNQCLSA-N 408.552 4.740 0 40 HJAB CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc21 8840959 PMVDEYKSGFBQRT-UHFFFAOYSA-N 414.571 4.936 0 40 HJAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c(C)c1 8961030 BQZQNIADNDQSGQ-UHFFFAOYSA-N 422.506 4.795 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1Cl 8961235 GXPYKSUFEZYCRO-UHFFFAOYSA-N 414.870 4.807 0 40 HJAB COc1cccc(-c2nc([C@@H]3Nc4ccccc4C(=O)N3C[C@H]3CCCO3)cs2)c1 9471081 JPKUJHFHQQGRKQ-DYESRHJHSA-N 421.522 4.564 0 40 HJAB CCOc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2cccc(C)c2)n1 9625550 KOSARMSFIRCDAK-UHFFFAOYSA-N 410.499 4.675 0 40 HJAB Cc1c(C(=O)OCC(=O)Nc2cc(F)ccc2F)oc2ccc(Br)cc12 9633292 BXLDWCXOALKIQX-UHFFFAOYSA-N 424.197 4.577 0 40 HJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Br)cc1F 11375284 FSZWDNXWHJWOQD-UHFFFAOYSA-N 407.214 4.954 0 40 HJAB C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)N[C@H](C)c1ccccc1 11398456 NBZRNBJXUYDXBC-IAGOWNOFSA-N 414.461 4.918 0 40 HJAB Cc1ccc(C)c(NC(=O)c2nnn(Cc3nc(-c4ccccc4C)oc3C)c2C)c1 12415504 CLACMLDLKJGTQE-UHFFFAOYSA-N 415.497 4.776 0 40 HJAB COc1ccc([C@@H](NC(=O)c2oc3ccccc3c2CSC)c2nccn2C)cc1 12602201 XUMLEGJNVUNQOR-HXUWFJFHSA-N 421.522 4.557 0 40 HJAB CC(C)(C)NC(=O)[C@H](OC(=O)c1nsc(Cl)c1Cl)c1ccc(Cl)cc1 12643051 ONKLRUQJBZRXKP-GFCCVEGCSA-N 421.733 4.916 0 40 HJAB C[C@@H](SCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 12729630 MCOCRNWRBYOHTD-OAHLLOKOSA-N 424.488 4.802 0 40 HJAB Cc1c(Cl)cccc1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 12903751 ZKTPGOZNWNZDBD-UHFFFAOYSA-N 415.927 4.787 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(N[C@H](C)C(=O)Nc3ccccc3)ccc2C)c1 13096996 VEKQTWQRKSMMSW-GOSISDBHSA-N 423.538 4.543 0 40 HJAB O=C(O)C[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc(Cl)cc1 13265162 VEFMXTRPSDXTMK-FQEVSTJZSA-N 421.946 4.882 0 40 HJAB O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccn2)N1CCc1c[nH]c2ccccc12 13548827 ZOHJLVMKIBIMIN-RUZDIDTESA-N 419.488 4.741 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCc1nnc2sc(-c3ccc(F)cc3)nn12 13691075 HHALCPKYSQBTGD-UHFFFAOYSA-N 418.501 4.580 0 40 HJAB CC(C)(C)C(=O)N1CCc2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc21 13695333 LHFSNNOXFCXRMM-UHFFFAOYSA-N 408.542 4.937 0 40 HJAB CCCCc1ccc(NC(=O)[C@@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 13714800 CXZWOFCWEHUYGW-HXUWFJFHSA-N 422.978 4.866 0 40 HJAB COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2c(C)cccc2C)cs1 15880763 OKVBCPAEFXDBFN-UHFFFAOYSA-N 410.499 4.594 0 40 HJAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)CC1CCCCC1)Cc1ccccc1O2 19016259 NEBJNGCFAQXXPQ-UHFFFAOYSA-N 412.574 4.538 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccncc2)C1 19449633 WEUOTDIIIKOIMM-VWLOTQADSA-N 419.594 4.770 0 40 HJAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@@H](C)c1cccc(Br)c1 20030038 XWVYTWCJAUCHSW-ZDUSSCGKSA-N 412.349 4.621 0 40 HJAB CC[C@@H](C(=O)Nc1ccc(F)cc1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 20095427 ZIOWGBHCSPMKNF-NRFANRHFSA-N 405.473 4.518 0 40 HJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cccc(OC(C)C)c1 20152747 ZLBHUQVNAKONEG-UHFFFAOYSA-N 424.522 4.661 0 40 HJAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(OC)cc4)nc3c2)c1 20610065 RYKWNRYLENWFRJ-MRXNPFEDSA-N 416.481 4.859 0 40 HJAB Cc1ccn(-c2ccc(NC(=O)c3ccccc3OCc3c(C)noc3C)cc2)n1 20616481 CRWFOBRRFAETEZ-UHFFFAOYSA-N 402.454 4.617 0 40 HJAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)N[C@@H](C(=O)O)c1ccccc1 20745526 HXPRCWLPDRFEDV-QGZVFWFLSA-N 421.305 4.602 0 40 HJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(OC[C@@H]2CCCO2)c1 31265800 GEFJKWLVIHELHS-SFHVURJKSA-N 400.525 4.611 0 40 HJAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cc2ccccc2c(=O)[nH]1 32717053 NARSAGIWHQWUIS-OAQYLSRUSA-N 407.473 4.571 0 40 HJAB O=C(c1nc(Cl)ccc1Cl)N1CCN(Cc2csc3ccccc23)CC1 32757374 KMNSTBDKJQQBKJ-UHFFFAOYSA-N 406.338 4.561 0 40 HJAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccc(C)cc1 44844121 AXQQAJOFSNXZCN-QFIPXVFZSA-N 422.550 4.985 0 40 HJAB COc1ccc(OC)c(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc23)c1 49004696 FJHPESNHSKWNEH-UHFFFAOYSA-N 420.513 4.715 0 40 HJAB CC(=O)c1ccc(N2CCN(Cc3csc(-c4ccccc4Cl)n3)CC2)cc1 55060303 MQMOWKPAIXRILG-UHFFFAOYSA-N 411.958 4.988 0 40 HJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1 57316111 YAHROMSIVKWATH-AWEZNQCLSA-N 421.526 4.692 0 40 HJAB Cn1cccc1[C@H]1CCCN1Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 57373532 NIYASLUHMRZTFJ-GOSISDBHSA-N 424.957 4.981 0 40 HJAB Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)cc1 58218430 IPUIHQCHYPASRO-INIZCTEOSA-N 419.447 4.688 0 40 HJAB CC[C@@H](C)n1c(SCC(=O)Nc2ccc(C)cc2Cl)nc2cc(C)[nH]c2c1=O 67238900 RKYITWIXWTVVPB-CYBMUJFWSA-N 418.950 4.697 0 40 HJAB Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(CCc3ccccc3)c(=O)c12 67260367 DZHMJGJCFRQDOV-UHFFFAOYSA-N 420.519 4.788 0 40 HJAB O=C(/C=C/c1cc2cc(Br)ccc2o1)Nc1ccc2ccc(=O)oc2c1 67339899 YNGUYGHGNDVMNL-FNORWQNLSA-N 410.223 4.954 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(N2CCCC2)nc1 72089105 KKHBFBFQCVLEGC-UHFFFAOYSA-N 418.463 4.943 0 40 HJAB COc1ccc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)cc1 72228706 HFPMPCKQDOWFFP-UHFFFAOYSA-N 406.511 4.977 0 40 HJAB CCCc1ccc(-c2ccc(NC(=O)C3CCN(c4cnccn4)CC3)cc2)cc1 72287371 OTUGDBCAQWRYKP-UHFFFAOYSA-N 400.526 4.951 0 40 HJAB Cc1ccc2[nH]c3c(SCC(=O)NCc4ccc(F)c(Cl)c4)ncnc3c2c1 72331984 FLVVMYODWZNTOM-UHFFFAOYSA-N 414.893 4.621 0 40 HJAB COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc(OC)c1OC 85411993 AYDJGXBTSNSDBT-LJQANCHMSA-N 417.531 4.594 0 40 HJAB Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)COc3ccccc3)CC2)c1 96183781 DXJGRDLNICXPNI-MHZLTWQESA-N 414.549 4.616 0 40 HJAB COc1ccc2[nH]c(=O)c(/C=C3\SC(=O)N=C3Nc3cccc(Cl)c3)cc2c1 101722700 OJWHVOHPPHOCMU-MFOYZWKCSA-N 411.870 4.908 0 40 HJAB COc1cccc(N2C(=O)[C@@H](c3ccccc3)C(c3nc4ccccc4s3)=C2N)c1 102202979 XDKVZBBVWNMOKQ-FQEVSTJZSA-N 413.502 4.763 0 40 HJAB CSc1nnc(C)n1NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1 107756020 WMUUCJJJNSALIW-VQHVLOKHSA-N 409.298 4.659 0 40 HJAB CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1OCc1ccccc1 218988791 IDIDTXYKNUGNMR-UHFFFAOYSA-N 405.479 4.649 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222863225 BORBQVWXICQOEF-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCSc1ccc(Cl)cc1 222939015 MEPYCZJKIHESHY-HNNXBMFYSA-N 422.953 4.515 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2cccnc2)c1C 222952786 FJTCCVVLMSPUBX-XZOQPEGZSA-N 419.598 4.716 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 223125723 SYLGIBDJTVCTRQ-SFHVURJKSA-N 400.950 4.525 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 224311562 XSHOXPHLNPEFTD-HXUWFJFHSA-N 418.990 4.684 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1cccc(Cl)c1 224526227 SMSLLVPNEASCLW-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB Cc1cccc(CN(C(=O)COc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)c1 224704841 PYWRGNNKGCQXHX-OAQYLSRUSA-N 422.569 4.548 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 225009631 MCSMANNOTWDDSE-PMACEKPBSA-N 424.585 4.695 0 40 HJAB Cc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N[C@H]3Cc2ccccc2)s1 257270629 MUZNFYLMYJOXOU-NABGWTBKSA-N 409.599 4.506 0 40 HJAB O=C1O[C@@]2(CCN(C(=O)c3ccccc3-c3ccccc3)C2)CN1Cc1ccccc1 257297392 RHBRHEMTDKDCCY-AREMUKBSSA-N 412.489 4.591 0 40 HJAB CSc1nc(N2CCCCC2)c2cc(C(=O)NC3CCCCCC3)sc2n1 408624172 UUIBLOCFHVVFCJ-UHFFFAOYSA-N 404.605 4.856 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 408640835 JZADOIKIGDSTKZ-HXUWFJFHSA-N 422.525 4.588 0 40 HJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)c1 409152990 GXGKCGGNVDVKMW-DEDYPNTBSA-N 402.475 4.823 0 40 HJAB CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C)cc1C 649371 YXALSHARNUOWKG-UHFFFAOYSA-N 423.586 4.875 0 40 HJAB Cc1sc2ncn3c(SCC(=O)Nc4cccc(Cl)c4C)nnc3c2c1C 925337 ZRQGVTGVPOSVHY-UHFFFAOYSA-N 417.947 4.648 0 40 HJAB OCC[C@H]1CCCCN1c1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn12 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8915488 PJMNPZUHEJBRHL-GOSISDBHSA-N 408.325 4.888 0 40 HJAB Fc1ccc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCCCC6)n[nH]2)cc1 8996976 YSLZTNCVGJLWIC-UHFFFAOYSA-N 404.474 4.804 0 40 HJAB COc1cc(CSCc2csc(NC(=O)c3ccc(F)cc3)n2)cc(OC)c1 12230254 MQWMDZBZZGFEDR-UHFFFAOYSA-N 418.515 4.985 0 40 HJAB CCOc1ccc(-n2c(S[C@@H](C)C(=O)NC3CCCC3)nc3ccccc32)cc1 12542742 IPUPWAVLMYRWEZ-INIZCTEOSA-N 409.555 4.964 0 40 HJAB CC(C)(C)NC(=O)[C@@H](OC(=O)c1nsc(Cl)c1Cl)c1ccc(Cl)cc1 12643046 ONKLRUQJBZRXKP-LBPRGKRZSA-N 421.733 4.916 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc(Br)c2)cc1 12775373 APMSDWGPWLWDNR-UHFFFAOYSA-N 417.332 4.707 0 40 HJAB COc1ccc(CCNC2=NN=C(c3ccc(Cl)c(Cl)c3)CS2)cc1OC 13068740 PBJPFJVJDPMENT-UHFFFAOYSA-N 424.353 4.650 0 40 HJAB O=C(Nc1nc(SCc2ccccc2)ns1)c1ccc(Br)cc1 14790272 UREKTYYLJQOFDS-UHFFFAOYSA-N 406.330 4.845 0 40 HJAB Cn1nc(C2CC2)c2c(-c3nnc(S)n3CCc3ccccc3)cc(C3CC3)nc21 17090829 QEAJPTNYIMBQFC-UHFFFAOYSA-N 416.554 4.513 0 40 HJAB NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cccc(F)c2)C1 19348314 YMCKLSKTFFSPBH-XMMPIXPASA-N 422.525 4.505 0 40 HJAB O=C(NCc1cccc(N2CCCCC2)c1)C1(c2ccc(Cl)cc2)CCOCC1 19662051 SVCVNIVXGWXHIP-UHFFFAOYSA-N 412.961 4.695 0 40 HJAB COc1ccc(C(=O)C[C@H](c2ccccc2)N2CCN(c3ccccc3)CC2)cc1 19944799 SDDXAPOKWOBOQN-RUZDIDTESA-N 400.522 4.832 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCc1ccco1 20459242 CAKYMMNIBVMALX-LJQANCHMSA-N 412.873 4.659 0 40 HJAB COC(=O)c1cc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)ccc1Cl 20483310 ULNJXHYBSHMMNY-UHFFFAOYSA-N 420.896 4.942 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c(C)c1 20492708 BZRABGZXVGQLSW-LJQANCHMSA-N 422.550 4.904 0 40 HJAB Cc1ccc(CC(=O)Nc2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1 24830680 FMEBRYJWNPEFNG-UHFFFAOYSA-N 414.914 4.630 0 40 HJAB O=C(CSCc1ccc(Cl)s1)NCc1cccc(NC(=O)c2ccco2)c1 32000124 MQOFPWSUTPQTEM-UHFFFAOYSA-N 420.943 4.796 0 40 HJAB COc1ccccc1NC(=O)[C@H]1CC(O)=Nc2c(C)c(-c3cccc(Cl)c3)nn21 32074836 HPSZKRMYIPYILP-MRXNPFEDSA-N 410.861 4.692 0 40 HJAB COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)n2)cc1 32578634 PROWXEJLFVNUOK-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB O=C(Nc1ccccc1Oc1ccccc1Cl)[C@@H]1CCCN(c2cnccn2)C1 32803742 VTUHJNXMJSGWAL-MRXNPFEDSA-N 408.889 4.777 0 40 HJAB COc1ccc(CCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1OC 36888632 MKESFOJMEDUGSO-UHFFFAOYSA-N 403.522 4.975 0 40 HJAB CC(=O)N(C)Cc1ccccc1NC(=O)CCCCc1ccc(Br)cc1 40133606 VRPQRUNOSCWJAQ-UHFFFAOYSA-N 417.347 4.779 0 40 HJAB COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2-c2ccccc2)cc1 44086026 VEWDDKJLDZUZBL-UHFFFAOYSA-N 420.494 4.575 0 40 HJAB c1ccc(OCCN2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 54290431 YACJSHHFOITQOA-UHFFFAOYSA-N 416.550 4.559 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN(c3ccccc3O)CC2)c1 57406251 KZPMPXXJBUHUBU-VWLOTQADSA-N 415.537 4.511 0 40 HJAB COc1cc(C)c(CN2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1C 72398605 WWQFYTGAMRRHEE-YKSBVNFPSA-N 423.601 4.823 0 40 HJAB O=C(Cc1ccc(OC(F)F)cc1)NCCc1csc(-c2ccccc2Cl)n1 95443899 SKNKKBPFXXZHBQ-UHFFFAOYSA-N 422.884 4.966 0 40 HJAB Cc1c(-c2nnc3sc(CCN(C)Cc4ccccc4)nn23)oc2ccccc12 96194449 ACZPIRBGKWZZHR-UHFFFAOYSA-N 403.511 4.582 0 40 HJAB CCSc1ccccc1NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 222637086 BOZPAYBFMOZYGF-UHFFFAOYSA-N 420.600 4.600 0 40 HJAB CC(C)CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223416883 VFEHIWNARWPETC-NRFANRHFSA-N 400.950 4.838 0 40 HJAB Cc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)c1 224166486 ZYBCNAXXXXYGCJ-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1 224339502 PYUFNJHBWNOCOQ-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)C 225061024 QEXXBHBBUFLQQP-HXUWFJFHSA-N 421.368 4.868 0 40 HJAB CCCC[C@@H](CC)CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 225122185 YFHITZUJHIFEAJ-VKZJTJHYSA-N 414.571 4.860 0 40 HJAB COC1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCC(C)CC1 225640910 ISPORDSIKQPKTC-ITGJCUMNSA-N 402.579 4.721 0 40 HJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225699338 YEAUGMHZALWYHX-REHUZNOOSA-N 404.595 4.967 0 40 HJAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCC(C)CC1 225720609 SZPMOIJYEALNBN-UHFFFAOYSA-N 402.579 4.865 0 40 HJAB O=C(N1C[C@H]2CC[C@H](Cc3cccc(F)c3)[C@H]2C1)C1(Cc2ccccc2)CCOCC1 257307300 SYBPOWNWRCWRBR-VDKIKQQVSA-N 421.556 4.892 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(CCCc2ccc(OC)cc2)o1 409020144 ZONQNLYRUGXXOD-UHFFFAOYSA-N 411.527 4.547 0 40 HJAB c1ccc(C[C@@H]2COC([C@@H]3CCCC[C@H]3C3=N[C@H](Cc4ccccc4)CO3)=N2)cc1 1988188155 ZJYPXEDQJJGDPA-MOUTVQLLSA-N 402.538 4.873 0 40 HJAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C)c1C 886938 BYMWRLLBCDFUPS-UHFFFAOYSA-N 409.559 4.566 0 40 HJAB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21 990067 SHZLNJARJHFSMP-DEOSSOPVSA-N 405.881 4.656 0 40 HJAB COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)Nc1ccc(F)cc1 1324429 MKOWKIBJMFPLFW-UHFFFAOYSA-N 415.446 4.801 0 40 HJAB Cc1nc2cc(-c3cccs3)nn2c(N2CCN(c3ccc(F)cc3)CC2)c1C 1332156 SZMVWIJSZRHFCD-UHFFFAOYSA-N 407.518 4.540 0 40 HJAB O=C(Nc1ccnc(-c2cccnc2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1403178 QFKCSDULBJZIEW-UHFFFAOYSA-N 412.293 4.829 0 40 HJAB C/C=C/C(=O)OCC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1 2631537 JOGOIAOFLXKIBC-WEVVVXLNSA-N 403.482 4.522 0 40 HJAB CC(C)c1ccc(CN2C[C@@H](C(=O)Nc3ccc(Br)cc3)CC2=O)cc1 5522909 BYRAOTHRSPIEGF-KRWDZBQOSA-N 415.331 4.560 0 40 HJAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(CN3CCCCC3)cc2)c1 5944757 KGRVVFLLVJMDGF-UHFFFAOYSA-N 411.571 4.587 0 40 HJAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)n1C 6147633 GEWGKQYHQDZAHM-CQSZACIVSA-N 406.511 4.644 0 40 HJAB O=C(Nc1ccc(Cl)cc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 6406467 HGYFXTJLGKMKRA-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB CCOC(=O)c1[nH]c(C)c(C(=O)OCc2csc(-c3ccc(Cl)cc3)n2)c1C 6510494 VGNQZPLKWSFIKY-UHFFFAOYSA-N 418.902 4.942 0 40 HJAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc3ccccc3o2)c1 6782916 FEBXEGNCJHKBCF-UHFFFAOYSA-N 415.902 4.952 0 40 HJAB CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1ccccc1-c1ccccc1 6941024 PCKHKOMZSMRTPK-UHFFFAOYSA-N 411.860 4.962 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)CSc3nnc(C4CC4)o3)n2)cc1C 7289464 YQWOJWRMYXGZTF-UHFFFAOYSA-N 400.529 4.727 0 40 HJAB COc1ccccc1CNC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 7604427 CQZGABRUSUPTHI-UHFFFAOYSA-N 418.880 4.767 0 40 HJAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1ccc2c3c(cccc13)CC2 7652067 HUSTYKJPGHGGSC-IBGZPJMESA-N 419.546 4.719 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1CN1CCCC1 8011764 HNKMOSWUOQDHFL-UHFFFAOYSA-N 409.917 4.829 0 40 HJAB Clc1snnc1CSc1nnc(Cc2cccs2)n1-c1ccccc1 8193087 NWDGDDQHWSKVEY-UHFFFAOYSA-N 405.961 4.717 0 40 HJAB CCOc1ccc2[nH]c(S[C@H](C(=O)Nc3nccs3)c3ccccc3)nc2c1 8813107 AJQKQZYFHOYWRZ-KRWDZBQOSA-N 410.524 4.890 0 40 HJAB O=C(Cc1csc(SCc2cccc(Cl)c2)n1)Nc1ccc2c(c1)OCO2 8938708 OMXYPNJHTHJZSI-UHFFFAOYSA-N 418.927 4.999 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccccc1Cl 9303581 OFKPVWCNHNMZRD-QHAWAJNXSA-N 422.843 4.530 0 40 HJAB Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N(C)CCc3ccccn3)cc12 9364375 IERBRTQPCSVAJJ-UHFFFAOYSA-N 410.930 4.759 0 40 HJAB COc1ccc(CNC(=O)CSc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 9442662 VIDZCQQDBCDIQK-UHFFFAOYSA-N 419.852 4.785 0 40 HJAB CCSc1nnc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)s1 9466114 WZOTYJMEDJJTOP-UHFFFAOYSA-N 424.555 4.895 0 40 HJAB COc1cccc2cc(-c3cc(=O)oc4cc(OC(=O)C(C)(C)C)ccc34)c(=O)oc12 9517234 FONUBDLZJVUWNB-UHFFFAOYSA-N 420.417 4.527 0 40 HJAB biogenic COc1ccc(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10314495 DDVSSIJMGZLTJJ-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB O=C(CNC(=O)c1ccccc1Cl)Nc1nc(-c2cccc3ccccc23)cs1 12568865 XXIFXEZLVGDMFG-UHFFFAOYSA-N 421.909 4.985 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N(Cc1ccccc1F)C1CC1 12910140 FDBKNXAXFQIQGC-UHFFFAOYSA-N 407.816 4.851 0 40 HJAB Cc1nc(-c2ccc(NC(=O)c3ccccc3I)cc2)co1 12986379 JODONYRRIKQGOV-UHFFFAOYSA-N 404.207 4.507 0 40 HJAB COc1cc(/C=C(\Cl)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc(OC)c1 13039402 ALALSXHJFLXOOB-RCEBRVLHSA-N 416.930 4.864 0 40 HJAB O=C(OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1)c1ccco1 13095460 QWBXSLAKCKAUHO-QHCPKHFHSA-N 424.456 4.968 0 40 HJAB Cc1nn2c(C)c(C(=O)Nc3ccc(F)cc3)nnc2c1-c1cccc2ccccc12 13635673 MODSJBSDEYPEQE-UHFFFAOYSA-N 411.440 4.953 0 40 HJAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)C(C)(C)C)cc1 15184715 CCQNXFHXMXOINF-UHFFFAOYSA-N 409.555 4.964 0 40 HJAB COc1ccc(Cc2nc3ccccc3n2C[C@H](O)COc2cc(C)ccc2C)cc1 15860789 IJUFDUTYXKOJSC-NRFANRHFSA-N 416.521 4.692 0 40 HJAB CCc1cc(I)ccc1NC(=O)c1ccc(OC)c(Cl)c1 16161254 FWHDLWVVSRYSMW-UHFFFAOYSA-N 415.658 4.768 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 17090557 ZAZCNYZJRNMAON-UHFFFAOYSA-N 416.433 4.955 0 40 HJAB CCOc1ccc(C(=O)NCc2c(-c3ccc(Cl)cc3)nc3n2CCS3)cc1 17307409 NSHHOGIUXWAXOC-UHFFFAOYSA-N 413.930 4.638 0 40 HJAB Cc1ccc2nc(Cc3ccc(NC(=O)CC[C@H]4C(=O)Nc5ccccc54)cc3)[nH]c2c1 19714408 NMJJUZWIGLMOGV-HXUWFJFHSA-N 424.504 4.917 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1C 20765631 RKAPJTRLRJXDMH-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCc4ccccc4C3)c(O)n2n1 23156993 YKSJKXYNTNGIHL-SFHVURJKSA-N 410.930 4.606 0 40 HJAB Cc1nc(NC(=O)c2nc(Cl)ccc2Cl)sc1-c1nccn1C(F)F 24032299 MOTLPHGMGXJVBP-UHFFFAOYSA-N 404.229 4.664 0 40 HJAB COc1cccc(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4cccc(Cl)c4)nn32)c1 32096144 DCIQVLQHPSOEIV-QGZVFWFLSA-N 410.861 4.692 0 40 HJAB Cc1ccc(F)c(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 32578557 GILLHQMNQDGJTE-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB COc1ccc2cc([C@@H](C)C(=O)N[C@@H](c3ccc(F)cc3)c3nccn3C)ccc2c1 32830705 FBUADDGIKLEDFL-MWTRTKDXSA-N 417.484 4.730 0 40 HJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 36092713 PYOKJJNUOGAENT-OALUTQOASA-N 407.558 4.699 0 40 HJAB COc1ccc(C(=O)N2N=C(c3ccsc3)C[C@H]2c2ccc3nccnc3c2)cc1 39563635 HWEMCIZTEOMONC-QFIPXVFZSA-N 414.490 4.691 0 40 HJAB CC(C)(C)c1ccc(SCC(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc1 40049203 HABNGNPERRWRIB-KRWDZBQOSA-N 408.571 4.525 0 40 HJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1 40114389 PZVIZUNTHIUAQB-CQSZACIVSA-N 421.324 4.944 0 40 HJAB O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1C(F)(F)F 40134436 VRUOHRYRQDYOMC-UHFFFAOYSA-N 417.353 4.518 0 40 HJAB COc1ccc(-c2cc(NC(=O)c3cccc(C)c3)n(-c3ccccn3)n2)cc1OC 41155891 WLSFMGOTDWSLLM-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB CCOc1ccc(Nc2cc(C(=O)N3CCSCC3)nc3c(OC)cccc23)cc1 49003040 ZQPRFCGGUMSKTK-UHFFFAOYSA-N 423.538 4.575 0 40 HJAB CC(C)C(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccc(C(C)C)cc1 49007775 AOTJBUVOQYYKRH-UHFFFAOYSA-N 422.554 4.853 0 40 HJAB CCCCn1c(SCC(=O)Nc2cccc(Cl)c2C)nc2ccsc2c1=O 57426400 URPFQPJAJFGJFW-UHFFFAOYSA-N 421.975 4.951 0 40 HJAB CCCCCCOc1ccc(C(=O)Nc2cccc(-c3noc(O)n3)c2)cc1OC 58324877 IHFAJQLGXHJXMB-UHFFFAOYSA-N 411.458 4.662 0 40 HJAB Cc1cc(C(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)c2c(C)noc2n1 65522575 COTOPFNDSPWDAK-UHFFFAOYSA-N 412.902 4.855 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 72295234 UJDXNCUAXCBRRZ-AWEZNQCLSA-N 422.326 4.715 0 40 HJAB CCCOc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(OCC)c(Cl)c2)cc1 72329320 LYKXBEFPIJLSFH-UHFFFAOYSA-N 413.905 4.848 0 40 HJAB CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(F)c(Cl)c3)[nH]n2)cc1 72331565 LOCVLGUBVVFERJ-UHFFFAOYSA-N 401.869 4.978 0 40 HJAB Cc1cccc(CC(=O)N2CCC[C@@H](c3nnc(-c4nccc5ccccc45)o3)C2)c1 72390132 SNJIWTBWTNEAJO-HXUWFJFHSA-N 412.493 4.542 0 40 HJAB COc1ccc(CCC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)cc1 72396203 ZJYZHXVUAJSFGJ-QHCPKHFHSA-N 417.553 4.703 0 40 HJAB Cn1ccnc1SCc1ccc(C(=O)N2CC[C@](C)(CCc3ccccc3)C2)o1 79050539 VEDXYVOAEDTSSQ-QHCPKHFHSA-N 409.555 4.790 0 40 HJAB COc1ccc([C@@H]2N=C(c3ccccc3O)C[C@@H](c3cc(OC)ccc3OC)N2)cc1 80325074 XLOIZIFVKKWIGH-WIOPSUGQSA-N 418.493 4.641 0 40 HJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 95482402 FJPXMDLVFHUJHR-SFHVURJKSA-N 413.905 4.823 0 40 HJAB Fc1cc(I)c2nc(C(F)(F)F)cc(Br)c2c1 96171868 XDXKVSDOQVMZJO-UHFFFAOYSA-N 419.941 4.760 0 40 HJAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCCN2CCCc2ccccc2)C1 96214558 UMKXCOGKKPVWFP-RUZDIDTESA-N 410.989 4.972 0 40 HJAB COc1ccc([C@@H]2CC3=NC(=O)C[C@H](C(=O)Nc4ccc(Cl)cc4)C3=C(O)C2)cc1 102659573 NSWIYRJHAPRBRX-KDOFPFPSSA-N 424.884 4.664 0 40 HJAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(O)c(Br)c3)C2=O)c1 214594230 IZRJFAZYCAUYKT-CXUHLZMHSA-N 404.285 4.700 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 224617887 DCVZSNFCRLOEPR-DEOSSOPVSA-N 424.585 4.570 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 225525785 XVPMGEVPKMEJTM-AVRDEDQJSA-N 414.977 4.913 0 40 HJAB O=C(N1CCN(c2cccc(C(F)(F)F)c2)CC1)C1(c2ccccc2)CCCC1 225769593 YPZMZMCVUGINTB-UHFFFAOYSA-N 402.460 4.866 0 40 HJAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(/C=C/C(=O)O)cc4)[C@H]3C[C@H]21 257235209 GWWVXEPFWFOJIH-PHAONFTJSA-N 419.521 4.676 0 40 HJAB O=C(c1ccccc1CN1CCCC1)N1CCC[C@H](Cc2cccc3cccnc23)C1 257281252 OOHZBGBYKKOHPS-OAQYLSRUSA-N 413.565 4.926 0 40 HJAB COc1ccccc1-c1cccc(C(=O)N(CCc2ccc(Cl)cc2)CC(=O)O)c1 257322134 WESAPMJGNJBGLY-UHFFFAOYSA-N 423.896 4.785 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=O)CC 408696426 BHKVWYNHOWAYMT-UHFFFAOYSA-N 417.314 4.541 0 40 HJAB CC(C)(C)CC(C)(C)NC(=O)c1cccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c1 408721959 NHNNVXBVUBZONR-CJAUYULYSA-N 412.574 4.947 0 40 HJAB O=C1S/C(=C/c2cc3c(cc2Cl)OCO3)C(=O)N1CCCc1ccccc1 409133576 MKAJDJHXZZVLCJ-VCHYOVAHSA-N 401.871 4.738 0 40 HJAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCCOc1ccccc1OC 409199136 NXWBGJUUXKFPPX-UHFFFAOYSA-N 415.555 4.713 0 40 HJAB CCCCN([C@H]1CCC[C@@H](C)C1)S(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C 1663585860 VSHNRJABINQVJC-PBHICJAKSA-N 415.983 4.805 0 40 HJAB COc1ccc(-c2ccccc2)cc1CN1CCC[C@H]1c1ccnc(CNC(C)=O)c1 2037845896 MRHJBNBSANSCEZ-VWLOTQADSA-N 415.537 4.730 0 40 HJAB CN(Cc1ccccc1)C(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 709165 SSCYQUITHMYSFI-WBVHZDCISA-N 420.460 4.877 0 40 HJAB CSc1nc(SCC(=O)O)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 2409922 XLGSKUSHIURHAU-UHFFFAOYSA-N 405.570 4.750 0 40 HJAB COc1ccc(OC)c(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c1 3246776 ADFFLDLVHJGYRL-UHFFFAOYSA-N 423.849 4.507 0 40 HJAB CN(C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1 3318553 VUUMMJPLOAGGBH-UHFFFAOYSA-N 402.475 4.783 0 40 HJAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(Cl)cc1C(F)(F)F 3320371 BUCFSGJRIDDREG-UHFFFAOYSA-N 408.763 4.703 0 40 HJAB Cc1ccc(-n2c(COc3cccc4ccccc34)nnc2S[C@@H](C)C(=O)O)cc1 4126871 KCIBNGRAWKKBRV-INIZCTEOSA-N 419.506 4.873 0 40 HJAB COc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccc(C)cc4)OC3=O)cc2)cc1 4474677 NMMZPRBRORQUGO-JCMHNJIXSA-N 413.429 4.567 0 40 HJAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccoc2C)n1CC(C)C 4860565 YHYLBNTVLPSWOT-UHFFFAOYSA-N 414.531 4.550 0 40 HJAB CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nnc1-c1ccc(Cl)cc1 5309485 TVZAKGCUDUBVNF-GRDNDAEWSA-N 406.983 4.651 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c1 5887413 MBYMHXFFAQXEKN-UHFFFAOYSA-N 404.495 4.875 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 6152977 QPVDDQIBIZVODG-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB COc1ccc2cc(CN(C)CC(=O)Nc3ccccc3SC)c(Cl)nc2c1 6647634 NXEJSQFZRNWDLO-UHFFFAOYSA-N 415.946 4.689 0 40 HJAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(F)cc1Br 7941324 BVTHJWPYIJHOBX-UHFFFAOYSA-N 405.311 4.504 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N1C1CC1 8193896 REHBOYWFQDDVOR-LJQANCHMSA-N 415.415 4.847 0 40 HJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(-c2nn3cnnc3s2)c1 8560780 LGDXPTIXFSWKOZ-ZRDIBKRKSA-N 413.462 4.765 0 40 HJAB Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@H](c2ccccc2)N(Cc2cccnc2)C3=O)c1 9111039 ZWRCQWRYRKPGEW-QHCPKHFHSA-N 410.477 4.540 0 40 HJAB Cc1c(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccco3)c2)oc2ccccc12 9851141 YIGHYTYTQDNQAC-UHFFFAOYSA-N 419.462 4.713 0 40 HJAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCc3cc(-c4ccco4)on3)c12 10774726 SWIRUZWYVXVZQS-UHFFFAOYSA-N 414.421 4.549 0 40 HJAB CCc1cc(-c2n[nH]c(N)c2-c2nc(C)cs2)c(O)cc1OCc1ccccc1 11867302 PKIVWSCIDQAKPU-UHFFFAOYSA-N 406.511 4.938 0 40 HJAB COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(C)o4)=NN23)cc1OC 12196895 ONKAVSVXAXMCIG-KOSHJBKYSA-N 420.465 4.856 0 40 HJAB CCCOc1c(Cl)cc(/C=C/C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1OC 12559435 QEKXNOZDOTYCGM-ATWMFIQVSA-N 413.905 4.904 0 40 HJAB CCC(=O)N(c1nnc(SCCOc2cc(Cl)ccc2Cl)s1)C1CC1 12599548 DIOFQTLDDKWBBG-UHFFFAOYSA-N 418.371 4.921 0 40 HJAB CN(CC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C(=O)c1ccco1 12783579 IICYPMWZRSYNFK-UHFFFAOYSA-N 417.490 4.781 0 40 HJAB CCOC(=O)c1oc2ccccc2c1CN1CCC[C@H]1c1cc(OC)ccc1OC 12806969 ZYBPUWLTKJBWQO-FQEVSTJZSA-N 409.482 4.964 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccncc1 13513104 CYWJMWWCNUFYQI-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@@H]3C2=O)cc1 13804632 IDGCKJXQNAKQSW-HJOGWXRNSA-N 412.489 4.609 0 40 HJAB COc1ccc(-c2nc(CC(=O)N(Cc3ccccc3)C(C)C)cs2)cc1OC 14197342 XPXSTBJHJXJAAY-UHFFFAOYSA-N 410.539 4.807 0 40 HJAB COc1ccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 14397362 BIRRXKSIWWPTNG-CYBMUJFWSA-N 414.354 4.819 0 40 HJAB CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc3ncccc23)C1 19081941 GOQUGZPRCNEZDO-YKSBVNFPSA-N 416.569 4.745 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)C3CCCC3)C1)N2 19083962 HTUOVPXWAJLIHU-YESZJQIVSA-N 408.537 4.600 0 40 HJAB C[C@H](Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(=O)Nc1ccc2c(c1)CCC2 21701195 UERBFXXEHLBIEX-LBPRGKRZSA-N 417.383 4.707 0 40 HJAB CCc1c(C)sc2c1c1nc(-c3ccccc3)nn1c(=O)n2Cc1ccccc1 32096827 KMYUJTUAKGUAGT-UHFFFAOYSA-N 400.507 4.692 0 40 HJAB CCCC[C@H](CC)CNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 32801775 PWBSLOFJLZMGIS-AWEZNQCLSA-N 420.907 4.802 0 40 HJAB CC(C)N1C[C@@H](C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)CC1=O 35322744 WREHLIJKPFARJR-ZDUSSCGKSA-N 413.930 4.812 0 40 HJAB COCc1nn2c(C)c(C(=O)Nc3ccccc3Cl)cnc2c1-c1ccc(F)cc1 36125609 CVHFLKHRZQMKFD-UHFFFAOYSA-N 424.863 4.896 0 40 HJAB CC1=NN(c2ccc(C(=O)N3CCC(C(=O)c4ccc(C)cc4C)CC3)cc2)CC1 40154059 QSFRENYWNNSETM-UHFFFAOYSA-N 403.526 4.625 0 40 HJAB O=C(Nc1nc(-c2ccco2)cs1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 48234730 KWXKMJBXTGBQRF-GFCCVEGCSA-N 422.432 4.672 0 40 HJAB Cn1ccnc1-c1nc(NCCCOc2ccccc2)ncc1-c1ccccc1F 57775437 UGJZXITXOUYEEE-UHFFFAOYSA-N 403.461 4.564 0 40 HJAB CCNC(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)c1 58162056 DWPUOYDJCKGZAS-UHFFFAOYSA-N 415.493 4.928 0 40 HJAB CCCOc1ccc(/C=C/C(=O)N(CCC)[C@H](C)C(=O)Nc2ccccc2)cc1OC 60331261 CPKCNGZYDDZKEU-OCKXMSAZSA-N 424.541 4.763 0 40 HJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)cc3C)oc12 67295944 RUJRJRRUZFVVNZ-GFMRDNFCSA-N 409.442 4.830 0 40 HJAB COc1cc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)n2)cc(OC)c1OC 71977955 IHNLRJKBYZGBDQ-UHFFFAOYSA-N 406.269 4.725 0 40 HJAB Cn1ccnc1CN1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72350009 GQQNKFGUTANESO-QGZVFWFLSA-N 400.448 4.881 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)CCn2nccc2C)n1 72370032 XFPOHJONDRMFFX-QHCPKHFHSA-N 406.505 4.845 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2cc(C(C)C)no2)n1 72390650 QTIYRRANRLTQCD-HXUWFJFHSA-N 419.529 4.970 0 40 HJAB CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 96053322 ZPTLLRIXELKUQQ-FQEVSTJZSA-N 410.533 4.641 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)Nc1ccccc1Cl 211962838 GUBXSCXDBSRSGU-OQLLNIDSSA-N 407.278 4.668 0 40 HJAB COc1ccc(-c2nnc(NC(=O)/C(=C/c3ccco3)c3ccccc3)s2)cc1 223149924 SRUJRLUNFSHACM-XMHGGMMESA-N 403.463 4.986 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 223275354 XSPTZNJQAOIASG-FQEVSTJZSA-N 421.368 4.706 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 223277637 ZQMJUIOHHJVBOM-QGZVFWFLSA-N 418.940 4.745 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)cc1 224198731 XKFOODMFTRZPBU-IBGZPJMESA-N 422.550 4.620 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 224738024 KWXIQYLQNKNMMV-NRFANRHFSA-N 418.940 4.601 0 40 HJAB C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CSc1ccccc1 224979189 MDJUMNPCEJAMTQ-HXUWFJFHSA-N 424.610 4.687 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 225054603 LWLUZSBJCMERCP-UXHICEINSA-N 412.599 4.560 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 225162888 PHERXWMDPJSSPW-OAQYLSRUSA-N 418.940 4.664 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C 225455312 VIJLCGXVFXOLJB-NHCUHLMSSA-N 424.585 4.563 0 40 HJAB CCc1ccc(CN2CCCC[C@H]2c2n[nH]cc2C(=O)N(C)Cc2ccccc2)cc1 257259102 KWVKLSDUOBEXQO-DEOSSOPVSA-N 416.569 4.972 0 40 HJAB CCC(CC)C(=O)N1CCC(Cc2ccc(-c3cccc(C)c3)cc2)(C(=O)NC)CC1 257273611 NHKIMIKDBFFTJX-UHFFFAOYSA-N 420.597 4.996 0 40 HJAB CCOc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)ccc1OC 257311107 UHZAKTNZOULZDY-NPNWRTNISA-N 415.574 4.749 0 40 HJAB Cn1cc(CN2CCC(c3cncc(Nc4ccccn4)n3)CC2)c2cc(F)ccc21 257324352 WOHVOXSQTRPYLM-UHFFFAOYSA-N 416.504 4.626 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2C)C1 408647815 XOBRAGQPAUEBAK-INIZCTEOSA-N 415.331 4.620 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O)Nc1ccc(F)cc1 409167556 IPZDRERSRAUKOZ-XDHOZWIPSA-N 406.438 4.654 0 40 HJAB CCCCOC(=O)c1cc(NC(=O)COC(=O)c2ccccc2Cl)ccc1Cl 409215347 ZKMZUSQAJMZFRY-UHFFFAOYSA-N 424.280 4.746 0 40 HJAB CC(C)Cn1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1ccc(Cl)cc1 409215854 BRUXOAQEWXLSQZ-HNNXBMFYSA-N 406.983 4.748 0 40 HJAB O=C1C[C@]2(CCCN(Cc3cccc(C(F)(F)F)c3)CC2)Nc2ccccc2CN1 2037978219 IZWLGHBDOYDZSU-JOCHJYFZSA-N 417.475 4.562 0 40 HJAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@H]2C[C@@H]1OCC1CC1 2332242633 DSISTHDYXMZPLU-YDLSIGKMSA-N 417.956 4.862 0 40 HJAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(Br)cc1 848227 WUCZMVJKNZJAAA-SNVBAGLBSA-N 422.279 4.758 0 40 HJAB Cc1cc(S[C@@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)nc(C(C)C)n1 854970 UWCSJHBRRDCZOY-HSZRJFAPSA-N 405.523 4.640 0 40 HJAB Cc1cccc2cc(CN(Cc3ccco3)C(=S)Nc3ccccc3)c(=O)[nH]c12 1224259 ILTNFBYWFFOLAK-UHFFFAOYSA-N 403.507 4.829 0 40 HJAB COC(=O)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 1261623 BTQXPQPCFGMCBR-UHFFFAOYSA-N 401.557 4.582 0 40 HJAB CCc1cc2ccc(C)cc2nc1SCC(=O)NCCc1ccc(OC)c(OC)c1 1340012 WQAYKLGGOPJGJQ-UHFFFAOYSA-N 424.566 4.574 0 40 HJAB Cc1cc(OC(=O)CCCCCNC(=O)OC(C)(C)C)c2c(C)c(C)c(=O)oc2c1 2149363 FXKFISYMFMFRFW-UHFFFAOYSA-N 417.502 4.709 0 40 HJAB biogenic Cc1ccc(C)c(NC(=O)COC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 3346860 DEYNDKCUGKPPJE-UHFFFAOYSA-N 419.506 4.808 0 40 HJAB Cc1ccc2nc(NC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)sc2c1 3372575 VRQUPOUTNFCGJE-UHFFFAOYSA-N 412.474 4.556 0 40 HJAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c1C 3421879 KSJOBWNKRLVVNG-MRXNPFEDSA-N 424.570 4.745 0 40 HJAB O=C(CSc1nccn1Cc1ccc2c(c1)OCO2)Nc1cccc2ccccc12 4248829 OQIPIDINPUQERB-UHFFFAOYSA-N 417.490 4.544 0 40 HJAB CCc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(OC)cc2)cc1 4518153 YSZVCYFARADPJO-UHFFFAOYSA-N 419.529 4.814 0 40 HJAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccc2ccccc2c1 4943687 XRWGCSOMUJSOKH-UHFFFAOYSA-N 417.465 4.569 0 40 HJAB O=c1c2ccccc2nc(SC2c3ccccc3-c3ccccc32)n1CCCO 5040374 DMJCAKYYOJLTBU-UHFFFAOYSA-N 400.503 4.641 0 40 HJAB CC[C@@H](C)c1ccc(-n2c(S[C@H](C)C(N)=O)nc3ccc(Cl)cc3c2=O)cc1 5449931 WIZRBGDVFXKBQS-CHWSQXEVSA-N 415.946 4.519 0 40 HJAB COc1cc2nc(/C(Cl)=C/c3ccc(Cl)c(Cl)c3)[nH]c(=O)c2cc1OC 6210610 LORWFQGNLWVJNF-MLPAPPSSSA-N 411.672 4.984 0 40 HJAB CCCCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OC(C)(C)C)cc1 6273291 JIXHDZUFPREGIB-LJQANCHMSA-N 404.576 4.780 0 40 HJAB Cn1c(SCCOc2cccc(Br)c2)nnc1-c1ccc(F)cc1 6913032 GALIRFQQMBDGQV-UHFFFAOYSA-N 408.296 4.555 0 40 HJAB Cc1cccc(N2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)c1 6918418 QWBQGMJZCZIXTA-UHFFFAOYSA-N 412.898 4.984 0 40 HJAB O=C(CN1CC=C(c2ccccc2)CC1)N[C@H](c1ccc(F)cc1)c1cccs1 7647453 BQHUANUPXPZHSK-XMMPIXPASA-N 406.526 4.882 0 40 HJAB Cc1cc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc(C)c1Br 7882196 OHKCLUMNIQHZOO-RDJZCZTQSA-N 415.331 4.614 0 40 HJAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccccc1Cl 7912460 PUJBVVDIBCEZCB-CVEARBPZSA-N 401.938 4.751 0 40 HJAB CCCNc1nnc(SCc2nc(N)c3c4c(sc3n2)CCCCC4)s1 8747381 DLJMFXIZVARQOD-UHFFFAOYSA-N 406.606 4.508 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 8825132 PGEXPGUHUHIEBM-UHFFFAOYSA-N 414.840 4.749 0 40 HJAB COc1ccc(CCC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 9107403 BYOHLPKLAGLGHT-UHFFFAOYSA-N 414.505 4.746 0 40 HJAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NCCc4ccsc4)c(C)c32)c1C 9482586 COGYPMRFYMSCQW-UHFFFAOYSA-N 409.507 4.736 0 40 HJAB CC(=O)Nc1ccc(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1 9503322 QWHZCYNTQZTPLY-UHFFFAOYSA-N 407.520 4.902 0 40 HJAB CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)c1 9699124 AWCQZRFCYMZXHL-UHFFFAOYSA-N 421.309 4.712 0 40 HJAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)N[C@H](c1ccccc1)c1ccncc1 9868218 GOUPSBCRLSUYAV-AREMUKBSSA-N 422.484 4.597 0 40 HJAB CC(C)[C@H](NC(=O)N(C)CC(=O)Nc1cccc2ccccc12)c1ccc(F)cc1 9873039 TUTUZVGVMIJHNN-QHCPKHFHSA-N 407.489 4.956 0 40 HJAB CC(C)c1ccc([C@H](NC(=O)Cc2n[nH]c(=O)c3ccccc23)c2cccs2)cc1 10102429 RCSFEEOYXDVRQU-QHCPKHFHSA-N 417.534 4.556 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3c(F)cccc3OC)sc2C)c(OC)c1 11866051 JUDKMYGRYIXXGJ-UHFFFAOYSA-N 402.447 4.536 0 40 HJAB O=C(CCCC(=O)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2)N1CCc2ccccc21 12181185 CXLHAUXXBQXRPT-BRTIRZTQSA-N 420.528 4.822 0 40 HJAB Cc1cc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c2ccccc2n1 12584454 NKPTVLWHGQPLAZ-UHFFFAOYSA-N 402.281 4.561 0 40 HJAB COc1ccc([C@H](CNC(=O)CCc2ccc(-c3ccccc3)o2)N2CCCC2)cc1 12760486 MLLBRBFXVAIFKH-DEOSSOPVSA-N 418.537 4.841 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2c(-c3ccccc3)noc2C)N2CCCCC2)cc1 12901270 RZJOGXWKHFTGFD-JOCHJYFZSA-N 419.525 4.616 0 40 HJAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1csc(-c2cccs2)n1 12909365 CHLSZPFLBCGTFH-UHFFFAOYSA-N 412.458 4.881 0 40 HJAB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)NCCc3ccccc3)s2)c1C 15816969 NAYVFLQXKXNJCY-MRXNPFEDSA-N 412.584 4.738 0 40 HJAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)c(OC)c1 15953639 OPSSSWJBIKGPHY-CNHKDYKUSA-N 421.537 4.612 0 40 HJAB CC(C)c1ccc(CN(C)C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 16204547 XCNGOANWERMTSQ-UHFFFAOYSA-N 423.582 4.509 0 40 HJAB O=C1CC[C@]2(C(=O)Nc3nc4ccc(Cl)cc4s3)Sc3ccccc3N12 17577242 LLRNZOAMJQVNIM-GOSISDBHSA-N 401.900 4.517 0 40 HJAB O=C(N[C@@H](c1ccccn1)C1CCN(Cc2c(F)cccc2Cl)CC1)C1CCC1 19400788 TYPRYZWDNSIUQA-JOCHJYFZSA-N 415.940 4.744 0 40 HJAB COc1ccccc1N1CCN(Cc2ccc(C(=O)Nc3cccc(C)c3)cc2)CC1 20241841 UJJMSYQHBLTUGT-UHFFFAOYSA-N 415.537 4.578 0 40 HJAB C[C@H]1CCCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)C1 20381078 VKUYAMQBJBIOQZ-HNNXBMFYSA-N 400.931 4.957 0 40 HJAB COc1ccccc1NC(=O)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 27694296 CYUKZXHUYKWADG-UHFFFAOYSA-N 405.885 4.928 0 40 HJAB Cc1cccc(C(=O)Nc2cc3c(cc2Sc2ccccc2)n(C)c(=O)n3C)c1 28049123 QJAADWWGPJTZRN-UHFFFAOYSA-N 403.507 4.589 0 40 HJAB CC(C)(C)OC(=O)N1CCC(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 29845331 SSKSDFZSSYPQDX-HSZRJFAPSA-N 420.553 4.808 0 40 HJAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1cc(Cl)ccc1Cl 32769618 WWFQIYJHSQPHOB-UHFFFAOYSA-N 419.230 4.558 0 40 HJAB Cc1sc2nc([C@@H](C)SCCC(=O)N[C@@H](C)c3ccccc3)[nH]c(=O)c2c1C 32778741 QPCJPDUOWMYFPL-DZGCQCFKSA-N 415.584 4.663 0 40 HJAB Cc1ccc(Oc2ccccc2NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 32808646 MIHRXQCRVDECIK-UHFFFAOYSA-N 422.506 4.580 0 40 HJAB CCn1c(CNC(=O)c2ccccc2)nnc1SCc1ccc(Cl)cc1Cl 33563466 UBOGDQCPFKDYOV-UHFFFAOYSA-N 421.353 4.827 0 40 HJAB CCCn1c(SCC(=O)Nc2c(C)ccc3ccccc23)nnc1-c1ccccn1 35289529 PXFWMTWASMAONX-UHFFFAOYSA-N 417.538 4.943 0 40 HJAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)cc(OC)c1OC 36354258 BFHBQTCTXLLQFT-OAHLLOKOSA-N 413.861 4.675 0 40 HJAB CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 36444199 AELZDZIWKOZSSW-RADHVNICSA-N 418.574 4.709 0 40 HJAB biogenic COc1cccc(-c2cc(C(=O)Nc3ccccc3Cl)c3c(C)nn(C)c3n2)c1 36615919 XBXGWVFUNPTMEC-UHFFFAOYSA-N 406.873 4.858 0 40 HJAB Cc1cc(SCC(=O)NCc2ccc(Cl)cc2)nc(-c2ccc(F)cc2)n1 49007045 DGBBCZGSFZLVPM-UHFFFAOYSA-N 401.894 4.653 0 40 HJAB Cc1ccc(N2CCN(c3nccn4nc(-c5ccc(Cl)cc5)cc34)CC2)c(C)c1 67284791 NFSBAZCGKOXQKN-UHFFFAOYSA-N 417.944 4.993 0 40 HJAB CCCCOc1ccc(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)cc1 70637091 SRRDTTMYIOGYKY-UHFFFAOYSA-N 411.889 4.809 0 40 HJAB COc1ccc(Cl)cc1NC(=O)NCC1CCN(c2nc3ccccc3o2)CC1 70932514 BUMMCBQVYSQPDZ-UHFFFAOYSA-N 414.893 4.528 0 40 HJAB FC(F)(F)c1cc(N2CC(c3nc4ccccc4s3)C2)nc(-c2cccnc2)n1 79102899 QEQLLHOMJNPJCR-UHFFFAOYSA-N 413.428 4.771 0 40 HJAB COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)C[C@H]3CCOc4ccccc43)n2)c1 83973763 BAQPDALSLIAGOY-VGSWGCGISA-N 417.509 4.705 0 40 HJAB CSc1ccsc1C(=O)NCC(C)(C)N(C)C(=O)c1sccc1SC 89761779 AGBQPCCRPQRMCH-UHFFFAOYSA-N 414.643 4.534 0 40 HJAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2)C12CCCC2 96344403 ABUNHUPBGWDKIX-QHCPKHFHSA-N 404.554 4.698 0 40 HJAB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@@H]3C2=O)cc1 101012848 GRYBUPGQWXZFDB-VXNXHJTFSA-N 412.489 4.609 0 40 HJAB C[C@@H](c1ccccc1)N1C[C@H](c2nc(-c3cccc(Br)c3)no2)CC1=O 101109145 ZPKCFCDJZONGAM-XJKSGUPXSA-N 412.287 4.576 0 40 HJAB CSc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 102597270 AOIRXVZAKUNURP-SZNDQCEHSA-N 404.495 4.771 0 40 HJAB CCC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)C1 103359870 XPCARUDWUHWMFW-JDITYXQVSA-N 423.528 4.982 0 40 HJAB O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 169708675 BZDAXARBZUSXCH-MUTLVYMRSA-N 402.538 4.892 0 40 HJAB COc1ccc(CSCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 222775930 BZCRYEOEDLZLGH-UHFFFAOYSA-N 417.581 4.711 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 222822408 FSWHODNSVQNTET-OAHLLOKOSA-N 421.368 4.868 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccccc1Cl 222829725 GEDPHHUWQGASEO-HNNXBMFYSA-N 407.341 4.827 0 40 HJAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 223485445 JOEHDCNISIJNHX-DEOSSOPVSA-N 418.512 4.868 0 40 HJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 223549204 MILFGLJCPAMCOJ-OAQYLSRUSA-N 424.585 4.565 0 40 HJAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223594419 CWWURZQSAASGND-PGRDOPGGSA-N 414.977 4.995 0 40 HJAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 224556981 JAIRYMYQIXXNLN-UHFFFAOYSA-N 406.935 4.968 0 40 HJAB CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F 239338966 LMSOVKXUSILEMH-UBHSHLNASA-N 414.859 5.034 0 40 HJAB COc1ccccc1C(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257206934 BFNNJGIDPMDXNY-KRWDZBQOSA-N 410.901 4.947 0 40 HJAB COC1(C(=O)Nc2ccc(OCCCN3CCC[C@H](C)C3)cc2)CCC(C)CC1 260814465 ISPORDSIKQPKTC-VIHQBZHPSA-N 402.579 4.721 0 40 HJAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3nc(SCc4ccccc4)sc3c1)[C@H]1C=C[C@H]2C1 408751070 WBLFDCRMGKNGRZ-SLUIBLPYSA-N 418.543 4.900 0 40 HJAB CCOC(=O)COc1ccccc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 409208270 ACGBEBJJISXROP-LICLKQGHSA-N 417.870 4.523 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cc(C)ccc3C)cc2)cc1 409361431 RUWCUYRIMUXBNZ-UHFFFAOYSA-N 422.550 4.984 0 40 HJAB C[C@H](CO)C1CCN(C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)CC1 1644583018 GUNNXCSURZPIFP-CYBMUJFWSA-N 408.329 4.613 0 40 HJAB CC(C)n1nc(-c2ccccc2)nc1[C@H]1CC[C@@H](O)[C@H](NC2CCC(F)(F)CC2)C1 2332241419 DKVBJWUQFHSLMW-DFQSSKMNSA-N 418.532 4.691 0 40 HJAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3cccc(O)c3)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242604 CKXYVQZHDIKAOI-RDMBEQIISA-N 421.516 4.567 0 40 HJAB O=C1[C@@H](CC[C@@H](O)c2ccccc2F)[C@H](c2ccc(O)cc2)N1c1ccc(F)cc1 2356096495 OBQFYRYCMDREFB-WWNPGLIZSA-N 409.432 4.888 0 40 HJAB Cc1ccc(C(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2c2ccccc2)cc1 824817 NRHBNKUDUUWEFE-OAQYLSRUSA-N 400.503 4.775 0 40 HJAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCC[C@@H](C)C1 901288 ITIATIJEYFMHCY-KGLIPLIRSA-N 409.477 4.902 0 40 HJAB CCOc1cc(NC(=O)c2cccnc2)c(OCC)cc1NC(=O)c1ccc(F)cc1 928811 KKHSQSMLMKPQLL-UHFFFAOYSA-N 423.444 4.523 0 40 HJAB COc1ccc(C(=O)[C@@H](OC(=O)c2ccc(Br)o2)c2ccccc2)cc1 990833 QLZDLLAEKFONRK-IBGZPJMESA-N 415.239 4.832 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C(=O)NC1CCCCC1 1004053 CSKDCHCJNYUZIF-UHFFFAOYSA-N 400.906 4.728 0 40 HJAB CCCCCCn1c(N)c(C(=O)NCc2ccc(C)cc2)c2nc3ccccc3nc21 2247406 HJPSLKCGCNIKKK-UHFFFAOYSA-N 415.541 4.985 0 40 HJAB CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2617301 PASDYZCFKJPIII-AWEZNQCLSA-N 408.420 4.736 0 40 HJAB CCC[C@H](C)NC(=O)COC(=O)c1sc2c(Cl)c(OC)ccc2c1Cl 2640694 HQRKSVXBOGIMAQ-VIFPVBQESA-N 404.315 4.678 0 40 HJAB O=C(Nn1c(-c2cccs2)nc2sc3c(c2c1=O)CCCC3)c1cccs1 3226990 SKTUXWLFBGKKTN-UHFFFAOYSA-N 413.549 4.511 0 40 HJAB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc2c(c1)OCO2 3356333 PHQRTARQPPSHTH-MRVPVSSYSA-N 404.797 4.602 0 40 HJAB CC[C@@H](C)Sc1nc2c(c(=O)n1-c1ccc(OC(F)(F)F)cc1)SCC2 4358880 HQHKVTKPKWFBMW-SNVBAGLBSA-N 402.463 4.670 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1 4715572 LEBZGFBFHGLLAH-UHFFFAOYSA-N 410.857 4.862 0 40 HJAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-n2cccc2)cc1 5242398 KMDJFVSADLPPQY-UHFFFAOYSA-N 421.526 4.724 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(C)c2)n2nc(C(F)(F)F)nc2N1 5938782 VGOKCLYNMBVIDJ-KRWDZBQOSA-N 413.403 4.533 0 40 HJAB CCN(C(=O)CSc1nnc2c(n1)[nH]c1ccccc12)c1cccc2ccccc12 6177218 XDLICOFKXVJXIL-UHFFFAOYSA-N 413.506 4.805 0 40 HJAB CCOc1ccc(CN(C)C(=O)c2ccccc2COc2ccccc2)cc1OC 6849900 OTVBHZCCELUYSH-UHFFFAOYSA-N 405.494 4.945 0 40 HJAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N[C@H](C)c1ccc(F)cc1 7763702 CZPUARBYHCSNNY-CHWSQXEVSA-N 416.547 4.839 0 40 HJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc2ccccc2oc1=O 9367848 NPWJRQCKOHOWQB-UHFFFAOYSA-N 419.458 4.951 0 40 HJAB CCC(=O)N(c1nnc(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)s1)C1CC1 9596040 DFQOXQPNWLBQGU-GFCCVEGCSA-N 415.544 4.655 0 40 HJAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)c(C)c1 9827896 IJRSSIQDGAKDSO-UHFFFAOYSA-N 408.479 4.771 0 40 HJAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 10313830 OHULYTGKOFINHN-UHFFFAOYSA-N 422.550 4.984 0 40 HJAB Cc1ccc(-n2c(SCC(=O)Nc3nc(C)cs3)nnc2-c2ccccc2)cc1 11196750 GVNYVXYLXVVWHX-UHFFFAOYSA-N 421.551 4.738 0 40 HJAB CCOc1ccc(CN(CC)S(=O)(=O)c2c(Cl)cccc2Cl)cc1OC 12768085 WSUQTNVCRKREDE-UHFFFAOYSA-N 418.342 4.612 0 40 HJAB CC1(C)C[C@]2(CCCN(CCCN3CCC[C@@]4(CCOC(C)(C)C4)C3)C2)CCO1 13424566 SWVWVYHFWXGIGF-DQEYMECFSA-N 406.655 4.719 0 40 HJAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1 13695380 YKJUODSFWDPZTM-UHFFFAOYSA-N 404.466 4.914 0 40 HJAB COc1cccc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)c1 14135900 REGYDHUQRHXZBM-UHFFFAOYSA-N 414.461 4.550 0 40 HJAB Fc1ccc(CN2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 15675600 HQEDPDSPCPMPFI-IBGZPJMESA-N 409.852 4.552 0 40 HJAB biogenic,in-vitro COCCNC(=O)CCCc1c(-c2ccccn2)[nH]c2cc(Cl)cc(Cl)c12 16756842 IRXKKWDJOGEAKP-UHFFFAOYSA-N 406.313 4.622 0 40 HJAB CCOc1c(Cl)cc(C(=O)NCc2ccc(CN(CC)CC)cc2)cc1OC 16780523 BYRUAYUPICENCG-UHFFFAOYSA-N 404.938 4.519 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1Cl 17091286 RXULOPDLIXLSQZ-CQSZACIVSA-N 417.962 4.854 0 40 HJAB Cc1nc(-c2cccc(NC(=O)C[C@@H](NC(N)=O)c3ccc(Cl)cc3)c2)cs1 18824908 HFHWUQOAGJYZBQ-QGZVFWFLSA-N 414.918 4.510 0 40 HJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CNC(=O)c1ccccc1Cl 19603962 GSFLRMNVGDKJAD-UHFFFAOYSA-N 417.292 4.642 0 40 HJAB CN1CCc2nc3sc(C(=O)Nc4ccccc4)c(N)c3c(-c3ccccc3)c2C1 19889365 DWTNCMDLZDFVJF-UHFFFAOYSA-N 414.534 4.786 0 40 HJAB COc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1ccc(Cl)cc1Cl 19943336 YBNKVKLQRCYOTA-FRKPEAEDSA-N 409.294 4.720 0 40 HJAB C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)[C@H](c1ccccc1)N1CCOCC1 23873048 VNGUSSDYXGOPJD-CJFMBICVSA-N 400.522 4.545 0 40 HJAB O=C(c1ccn(COc2c(Cl)cccc2Cl)n1)N1CCCc2ccccc21 27972740 AJYWGQAGKZIFMN-UHFFFAOYSA-N 402.281 4.819 0 40 HJAB Cc1ccc(Oc2ccccc2NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 31297396 MOYGZOVYDGRLKE-UHFFFAOYSA-N 410.495 4.720 0 40 HJAB COc1ccc(CC(=O)Nc2ccccc2-c2nc(-c3ccc(OC)cc3)no2)cc1 32622889 LHIFEZXBJAAECE-UHFFFAOYSA-N 415.449 4.602 0 40 HJAB COC(=O)c1ccc(-c2nc3cccc(C)n3c2Nc2ccc(OC)c(OC)c2)cc1 35622074 DXSDSXBUYFOWGG-UHFFFAOYSA-N 417.465 4.857 0 40 HJAB CCOc1cccc(-c2noc(CSc3nc(O)cc(-c4ccccc4)n3)n2)c1 38654277 UNPBPURJVOLIRM-UHFFFAOYSA-N 406.467 4.590 0 40 HJAB COc1cc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc(OC)c1 40143330 FRVIDQSOGNMAAK-UHFFFAOYSA-N 409.667 4.853 0 40 HJAB COc1ccc(C(=O)Nc2ccc3[nH]c(-c4cc(F)ccc4F)nc3c2)cc1OC 40146859 LHRODNORONLRKN-UHFFFAOYSA-N 409.392 4.778 0 40 HJAB COC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(OC)cc2)sc2c1CCCC2 44838854 OOWCCUUEQUYIJW-LBPRGKRZSA-N 405.541 4.541 0 40 HJAB CN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 51865180 PZZUNRSSBLTDAY-JOCHJYFZSA-N 401.510 4.742 0 40 HJAB Cc1cccc(C)c1NC(=O)CCCSCC(=O)N1CCCc2cccc(F)c21 58161729 KEZUOKAUGHJYIX-UHFFFAOYSA-N 414.546 4.874 0 40 HJAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cnc(-c2cccc(O)c2)nc1 58310703 FWHQGQYDLUVHPE-NSHDSACASA-N 404.253 4.562 0 40 HJAB COc1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc23)c(OC)c1 64471999 DGJWYDPWTIYLIU-UHFFFAOYSA-N 411.889 4.885 0 40 HJAB CCCCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)cc1 67236134 BOVFMPIEPOSNRL-UHFFFAOYSA-N 412.559 4.687 0 40 HJAB O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)c(F)c1 67292933 IKMIOXXJPCHTGF-UZGAPFOWSA-N 418.827 4.506 0 40 HJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cc(C)ccc3F)oc12 67295980 XWWCHCSAVVONCP-GFMRDNFCSA-N 409.442 4.830 0 40 HJAB Cn1nccc1C(=O)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72350044 BGDIHRNGKVBDSM-MRXNPFEDSA-N 414.431 4.521 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(Cc3ccccc3)n2)cc1 72357889 VDXQFWYSTROZKZ-VWLOTQADSA-N 400.522 4.977 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72358931 MUKLVJATYYAUOJ-GOSISDBHSA-N 409.892 4.885 0 40 HJAB Cc1cccc(C)c1OC[C@@H](NC(=O)CCc1nc(C(C)C)no1)c1ccccc1 84225492 OMNACMFXUOEQGK-HXUWFJFHSA-N 407.514 4.679 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(CSc2ccccn2)CC1 90608036 ZIENOKIEWKZDNE-UHFFFAOYSA-N 404.963 4.923 0 40 HJAB Cc1ccc(OC2CCN([C@H](C)C(=O)Nc3cccc(Cl)c3Cl)CC2)nc1 95462517 ZMFJPWBFOUWPLM-CQSZACIVSA-N 408.329 4.567 0 40 HJAB COC(=O)C[C@H](c1ccsc1)c1oc(CSc2ccccc2F)cc(=O)c1O 95477718 LPODZPUZQSOAAL-CQSZACIVSA-N 420.483 4.533 0 40 HJAB CCn1cc(-c2cc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c3ccccc3n2)c(C)n1 102630332 APRSLILKLAXMSM-HGKSCXNLSA-N 402.542 4.981 0 40 HJAB CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(OC)c(C(C)(C)C)c2)cc1 141523318 VTTJFXHIXRPGKX-OAQYLSRUSA-N 417.571 4.917 0 40 HJAB O=C(Nc1ccccc1Cl)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207017140 LKFIGELWTKYNNQ-CYBMUJFWSA-N 402.907 4.938 0 40 HJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)cc2)C1 219240771 UXXMHMHZSBHNOP-MRXNPFEDSA-N 424.932 4.552 0 40 HJAB O=C(NCCCN1CCCc2ccccc21)c1ccc(CN2CCCCCC2)cc1 219965499 IOMSSULNCOLVGN-UHFFFAOYSA-N 405.586 4.635 0 40 HJAB CC[C@H](C(=O)Nc1cccc2ccccc12)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220559792 UEZMBPQPXAQFHZ-JOCHJYFZSA-N 410.539 4.640 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2cccnc2)c1C 222952861 FJTCCVVLMSPUBX-DHIUTWEWSA-N 419.598 4.716 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 223047336 RQFMZAILFGHUER-FQEVSTJZSA-N 412.599 4.811 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C 224241650 XKNPZDXHOHVVGJ-QHCPKHFHSA-N 422.569 4.548 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1N(C)S(=O)(=O)c1ccccc1 224288851 SHRVYTVYWMGGQV-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 225009591 MCSMANNOTWDDSE-UXHICEINSA-N 424.585 4.695 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 225152001 KDGZWUJXSWWBGA-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 225208746 PIEGWBXIXRUZLC-MOPGFXCFSA-N 414.977 4.831 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 225583646 HSJWJTPNPGALCN-JTHBVZDNSA-N 424.585 4.713 0 40 HJAB Cc1cccnc1Nc1ccc([C@@H]2CN(Cc3ccc4ncccc4c3)CCO2)nc1 257205869 BAXKQJMTAQPHDN-DEOSSOPVSA-N 411.509 4.650 0 40 HJAB CCCOc1ccccc1CN1CCC[C@H](c2n[nH]cc2C(=O)N2CCCCCC2)C1 257310765 UGLNYQQGGCSYEI-NRFANRHFSA-N 424.589 4.594 0 40 HJAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(N5CCCC5=O)cc4)OCC[C@@]31C2 257337026 YRAZYDULMOIGDY-MFLQQMQESA-N 424.585 4.612 0 40 HJAB CCOc1cc(C(=S)NCCOC)ccc1OCc1ccc(Cl)c(Cl)c1 408572204 FPLLVXKNIDRENI-UHFFFAOYSA-N 414.354 4.883 0 40 HJAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(OCc3ccncc3)cc2)cc1 591207267 MEUHSTQFZWWREE-UHFFFAOYSA-N 404.466 4.661 0 40 HJAB COC(=O)C[C@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)c1cccc(C)c1 1588055173 HEKBFLPUMMGUFN-KRWDZBQOSA-N 404.388 4.529 0 40 HJAB CCN(CC)C(=O)c1sc2nc(Cc3ccccc3)cc(C(F)(F)F)c2c1N 664839 XOYXQNPONSIBGM-UHFFFAOYSA-N 407.461 4.970 0 40 HJAB COc1ccccc1[C@H]1CC(c2ccc(C)cc2)=NN1S(=O)(=O)c1ccc(C)cc1 710109 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CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1OC 222955968 GZVBATAPPHAQDA-FGZHOGPDSA-N 406.555 4.654 0 40 HJAB COc1ccc(-c2ncc(C(=O)NC(c3ccccc3)c3ccccc3)c(C)n2)cc1 223146347 IRFUZECXFJMSST-UHFFFAOYSA-N 409.489 4.980 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1C[C@@H]1CCCO1 223316535 YCHPSNAKELJTJI-YUXAGFNASA-N 410.587 4.540 0 40 HJAB Cc1nc(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)ccc1Cl 224020384 HFCVDFYCOORGKN-UHFFFAOYSA-N 410.370 4.732 0 40 HJAB COc1ccc(OCc2cc(C(=O)Nc3cc(C)ccc3OC)ccc2OC)cc1 224267650 UPVDURDXZDLLKL-UHFFFAOYSA-N 407.466 4.852 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 225642873 XBQOFWAWTBOVND-LAUBAEHRSA-N 416.562 4.640 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 225675975 ZNQTYVRTDLAEPL-MRXNPFEDSA-N 421.368 4.725 0 40 HJAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2cccnc12 225875939 WRKKXYNCIUEIKR-UHFFFAOYSA-N 408.473 4.850 0 40 HJAB Cc1ccccc1CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1-c1ccccc1 240068127 SIZXOYHSJUEAMS-UHFFFAOYSA-N 423.541 5.982 0 40 HJAB Cc1cccc(Nc2ccc([C@H]3CN(Cc4cccc5ncccc45)CCO3)nc2)n1 257248612 JELDBVKAXOMFQW-XMMPIXPASA-N 411.509 4.650 0 40 HJAB Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 408627195 LDLUIMTYYVGZGN-UHFFFAOYSA-N 402.825 4.559 0 40 HJAB CCOc1ccccc1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 408628531 YNSCDSRYXRHWCO-UHFFFAOYSA-N 415.486 4.629 0 40 HJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(I)cc1C 408677417 CPZCHCYZPXVWTF-HNNXBMFYSA-N 413.230 4.535 0 40 HJAB CCc1ccc(C2=NN(C(=O)c3ccc(C)c(Cl)c3)[C@@](O)(C(F)(F)F)C2)cc1 409103067 AFVUTVSWUBKBGZ-IBGZPJMESA-N 410.823 4.712 0 40 HJAB CC(C)N(C(=O)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1)C(C)C 409131852 YNLSHNPRXDBRSS-UHFFFAOYSA-N 422.510 4.748 0 40 HJAB Cc1c(F)cccc1NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl 409179536 PTQQSZNLHHVOOJ-UHFFFAOYSA-N 415.804 4.656 0 40 HJAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1c(Cl)ccc2ccccc12 1664379384 XIRXEXXKNQCKMT-OAQYLSRUSA-N 411.910 4.658 0 40 HJAB COc1ccc(C2(C(=O)N3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)CCCCC2)cc1 1848355874 PCMKDLLOMFJMIY-UBFVSLLYSA-N 419.565 4.928 0 40 HJAB CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc2cc(OC)c(OC)cc2nc1Cl 644923 OQXKKTUJZRZTKD-LJQANCHMSA-N 423.900 4.993 0 40 HJAB Cn1ccnc1SCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 1016903 KHHOVNXCJBLTMO-IBGZPJMESA-N 410.930 4.544 0 40 HJAB CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cc(C)c(C)cc1C 1072077 PVWOGONTRWOQOO-UHFFFAOYSA-N 411.523 4.979 0 40 HJAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1OCc1ccc(Cl)cc1 1383923 FMRSLHQFDBKMEI-BBITVKMKSA-N 415.876 4.664 0 40 HJAB COc1cc(CC(=O)c2cc3c(cc2-c2ccccc2)OCO3)cc(OC)c1OC 1630894 JSDRRPNJIFUHDD-UHFFFAOYSA-N 406.434 4.534 0 40 HJAB CCOC(=O)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 1757155 ZZHNKDQNLOJLDD-UHFFFAOYSA-N 415.584 4.972 0 40 HJAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2cc(OC)cc(OC)c2)cc1 2210612 OFVDZUGUURELKH-UHFFFAOYSA-N 412.449 4.662 0 40 HJAB O=C(Nc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1)c1ccccc1 3079880 VWMXWGYETKDDER-UHFFFAOYSA-N 418.452 4.991 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)c(C)c1 3347275 SHQVGNOLRGAKNR-INIZCTEOSA-N 402.494 4.772 0 40 HJAB Cc1nnc(SCC(=O)Nc2ccccc2Cc2ccccc2)n1-c1ccccc1 3386289 LTLVRMXGQRJVGM-UHFFFAOYSA-N 414.534 4.897 0 40 HJAB CCOc1ccc2ccccc2c1C(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O 4032937 CFRRURAOUPZERR-UHFFFAOYSA-N 414.505 4.669 0 40 HJAB O=C(CSc1ccccc1)Nc1ccc(N2CCN(c3ccccc3)CC2)c(F)c1 4053830 MLZLNHMFERNHHS-UHFFFAOYSA-N 421.541 4.883 0 40 HJAB O=C(CSc1cn(Cc2ccccc2Cl)c2ccccc12)NC[C@@H]1CCCO1 4060840 DALZNPPAHKIMNL-KRWDZBQOSA-N 414.958 4.730 0 40 HJAB CN(C)CCCN(C(=O)c1nc2ccccc2s1)c1nc2c(F)cccc2s1 4359764 TVVVQNNMWJAKRJ-UHFFFAOYSA-N 414.531 4.644 0 40 HJAB CC1(C)C[C@@H](NC(=O)c2ccccc2F)C[C@](C)(CNC(=O)c2ccccc2F)C1 4628624 AIQJSODFQSVULY-GYCJOSAFSA-N 414.496 4.710 0 40 HJAB COC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)n(C)c2ccccc12 4731400 KMXMVYHIHXHCER-VWLOTQADSA-N 410.473 4.564 0 40 HJAB C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)c1ccc(Br)cc1 4890760 ATXITXPGCRHJQA-LLVKDONJSA-N 406.280 4.532 0 40 HJAB COc1ccc(C)cc1N1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc(Br)cc12 4908257 WXXKEDHJPXFSEI-AUUYWEPGSA-N 403.276 4.536 0 40 HJAB CCN1CCN(c2ccc(NC(=O)c3cccc(OC(C)C)c3)cc2Cl)CC1 5426542 YEFJZVZRLOTJNS-UHFFFAOYSA-N 401.938 4.521 0 40 HJAB Cc1cc(C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CC[C@@H](C)C3)c(C)o1 6527759 HOCSLODJBTZXDN-CYBMUJFWSA-N 400.544 4.961 0 40 HJAB O=C([C@H]1CC(=O)N(c2ccccc2Cl)C1)N(Cc1ccco1)Cc1cccs1 7780208 ZGIKYEYZEBRCTJ-HNNXBMFYSA-N 414.914 4.576 0 40 HJAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccc(N2CCOCC2)cc1 8429312 LSDARTWJEPNTKX-UHFFFAOYSA-N 413.930 4.861 0 40 HJAB O=C(c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O)N1CCCCCC1 8471529 HFKXENNDGNNMGM-UHFFFAOYSA-N 417.292 4.810 0 40 HJAB CCOc1cc(CN(C(=O)COc2cc(C)cc(C)c2)C2CC2)ccc1OC(F)F 8771982 OWYWQWSDCRSKPD-UHFFFAOYSA-N 419.468 4.874 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1Cc1ccncc1 8845961 SMWNMKBQCHOIFS-HXUWFJFHSA-N 402.837 4.587 0 40 HJAB C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)NCC1CCCCC1 9464395 JBMCVNSTAQBGJY-LBPRGKRZSA-N 424.364 4.676 0 40 HJAB COc1cc(-c2nc3cc(NC(=O)Cc4ccccc4)ccc3o2)cc(OC)c1OC 10120228 OXYMFMRBMLWGOQ-UHFFFAOYSA-N 418.449 4.702 0 40 HJAB Cc1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)cc1-n1cccc1 10433212 FIYGZEVNCZRJIV-UHFFFAOYSA-N 413.271 4.572 0 40 HJAB O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 12544746 AGZBGQOELJBKSZ-UHFFFAOYSA-N 401.875 4.785 0 40 HJAB CCC[C@@H](NC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1)c1ccccc1 12569284 AEJSKLMNCXSOSX-JOCHJYFZSA-N 405.498 4.971 0 40 HJAB O=C(COc1ccc(F)cc1Br)N(Cc1ccccc1)c1ccccn1 12609621 BBZWDCXFLIERJG-UHFFFAOYSA-N 415.262 4.595 0 40 HJAB O=C(CSCc1ccccc1)Nc1ccnn1Cc1ccc(Br)cc1 12763646 GHWQSLRRMRSIAE-UHFFFAOYSA-N 416.344 4.566 0 40 HJAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)CC2 13576676 AFCDQFMNNKOSHS-OLZOCXBDSA-N 424.324 4.924 0 40 HJAB Cc1cccc(NC(=O)CNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)c1C 15533712 LRKMPBBMQMSARL-UHFFFAOYSA-N 413.930 4.757 0 40 HJAB COc1ccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1OC 15577436 SXQRTWQGCIAQDE-UHFFFAOYSA-N 422.268 4.632 0 40 HJAB Cc1ccc(C)c(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)c1 15882901 SXMTVMXYOMGPNR-UHFFFAOYSA-N 411.299 4.528 0 40 HJAB Cc1nc2ccccc2n1C[C@@H](C)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 19286758 KVECPLFORZMVSL-MJGOQNOKSA-N 407.514 4.567 0 40 HJAB Cc1cccc(C2(C(=O)NCc3ccc(CN4CCCCCC4)cc3)CCOCC2)c1 19717448 XSANITMBGJQCFQ-UHFFFAOYSA-N 420.597 4.736 0 40 HJAB Cc1ccc(CSCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 20452069 CSDGQILCBPPNSK-UHFFFAOYSA-N 413.564 4.999 0 40 HJAB O=C(Nc1ccccc1C(=O)NCCc1cccc2cccnc12)c1cccs1 24977881 MNNADKMJEQBFCG-UHFFFAOYSA-N 401.491 4.521 0 40 HJAB O=C(c1ccncc1)c1c(Nc2ccc(Br)cc2)[nH]c(=O)c2ccccc12 26571970 MFYPYQXZMAVYEQ-UHFFFAOYSA-N 420.266 4.660 0 40 HJAB CC(=O)Nc1cccc(-n2nnnc2SCc2sc3ccccc3c2Cl)c1 32772357 HLJIBVQKXUVNOB-UHFFFAOYSA-N 415.931 4.781 0 40 HJAB CC(=O)n1cc(CN(CCCn2ccnc2)Cc2ccc(C)s2)c2ccccc21 36740417 BLZIFHBEPZKZHK-UHFFFAOYSA-N 406.555 4.960 0 40 HJAB COc1cc(NC(=O)CCC2CCCCC2)c(C(=O)N2CCCCC2)cc1OC 40087618 SNBDDYNLKLILKA-UHFFFAOYSA-N 402.535 4.629 0 40 HJAB COc1cc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc(OC)c1 58135670 SWSJDFCVXLWKEM-KOSHJBKYSA-N 404.510 4.718 0 40 HJAB COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2nc(C)c(C)s2)cc1 61719081 DHEWRYHFYWVETR-UHFFFAOYSA-N 410.524 4.935 0 40 HJAB O=C(CCOc1ccccc1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72358274 USEZLKFTTIDUBY-XMMPIXPASA-N 404.485 4.944 0 40 HJAB CC(C)C(=O)N1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 72391348 SZZPMXINWGCCES-NRFANRHFSA-N 401.514 4.992 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 89637221 KGGGWPXEMKHECC-UHFFFAOYSA-N 415.898 4.693 0 40 HJAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 96053472 NBYLPEYVDGTPQM-OAQYLSRUSA-N 424.560 4.985 0 40 HJAB Cc1c(-c2nnc3sc(-c4ccc(Br)o4)nn23)oc2ccccc12 96194398 NYAJYODDJURDPS-UHFFFAOYSA-N 401.245 4.930 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@H]3c2cccc(OC)c2)cc1 103177129 RNEDUQJGXFVNBB-ZCYQVOJMSA-N 416.477 4.955 0 40 HJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 216342125 SITMLMVOYMIYPU-HSZRJFAPSA-N 420.484 4.594 0 40 HJAB Cc1cc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)ccc1Br 218827854 YYFGIJQJFROHGB-QGZVFWFLSA-N 404.304 4.555 0 40 HJAB CCCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222844681 NYRYSEQKBIZVJV-LJQANCHMSA-N 414.977 4.996 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 223207257 LAMCMNNWLLMBHU-QHCPKHFHSA-N 408.586 4.958 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 223225115 RUWUFPJBQYAATG-NRFANRHFSA-N 412.599 4.809 0 40 HJAB COc1ccccc1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224886773 MULLDUCPBHCWPB-UHFFFAOYSA-N 401.260 4.684 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccnc1 225009036 IFGXHMVZGYXUNT-GOTSBHOMSA-N 417.582 4.799 0 40 HJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225070926 WRFAMOXMZBEQDY-INIZCTEOSA-N 421.368 4.522 0 40 HJAB CCOc1ccccc1NC(=S)NC1(c2ccc(OC)c(OC)c2)CCCC1 225847836 LLSWDGYMKULOJH-UHFFFAOYSA-N 400.544 4.858 0 40 HJAB C[C@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NC3CCCCCC3)n2)C1 226011118 WQCAMEWWWLBFDX-ZDUSSCGKSA-N 415.529 4.741 0 40 HJAB CN(C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2cc3ccccc3o2)C1)C1CCCCC1 257227120 FNUHHFPIJJFIAV-IBGZPJMESA-N 420.557 4.940 0 40 HJAB O=C(N1CCOC[C@@H](Cc2cnc3ccccc3c2)C1)C1(c2ccccc2)CCCC1 257269119 MOQRGDZJWIPUJM-QFIPXVFZSA-N 414.549 4.764 0 40 HJAB O=S(=O)(c1ccccc1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1 408625981 JZQJBIOSXKOEGZ-UHFFFAOYSA-N 420.303 4.984 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2C)c2ccccc12 511206815 DVZUPNJIKPWGPA-UHFFFAOYSA-N 410.539 4.948 0 40 HJAB Cc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c(C)c1 817215 XPEFESCLMNDMEW-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB COc1ccc(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)cc1Cl 2252950 SOXSBGKKKMPRFM-UHFFFAOYSA-N 424.888 4.631 0 40 HJAB O=C(OCc1ccc(Cl)cc1Cl)c1ccc(I)cc1 3271446 PZGBMWOFZZJADC-UHFFFAOYSA-N 407.034 4.955 0 40 HJAB CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc12 3368625 WBIFYYOPFWXYNU-UHFFFAOYSA-N 401.484 4.889 0 40 HJAB C[C@@H](c1nnc(SCC(=O)c2cccs2)n1-c1ccc(Cl)cc1)N(C)C 3379610 CFNLLYZRIRMEKT-LBPRGKRZSA-N 406.964 4.580 0 40 HJAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccc(Cl)cc1 3433620 JADGLVYNRHIESM-UHFFFAOYSA-N 420.852 4.621 0 40 HJAB Cc1cc2oc(=O)cc(COC(=O)c3cc(=O)c4ccccc4o3)c2cc1C(C)C 3513425 ZAPXUJWHIFSROE-UHFFFAOYSA-N 404.418 4.688 0 40 HJAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(OC(C)C)c2)no1 5271053 JCGSPFUZBPBPKI-NRFANRHFSA-N 416.433 4.626 0 40 HJAB CC(=O)CSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1 5326026 BFJYUONNNYYLAU-UHFFFAOYSA-N 416.344 4.631 0 40 HJAB COc1ccc([C@@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 6679031 VKGSVTBEPTZPKX-BTYIYWSLSA-N 423.538 4.670 0 40 HJAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1nc(-c2cc(C)ccc2C)cs1 6790320 CVBWZEHEVVGIJA-UHFFFAOYSA-N 410.495 4.656 0 40 HJAB Cc1cc(C(=O)CCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c(C)s1 8009715 OXINTIKHBXDFQJ-UHFFFAOYSA-N 409.555 4.789 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8310298 JFZUEQPQCXWPCW-LJQANCHMSA-N 400.906 4.585 0 40 HJAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccnc1Sc1ccccc1 8429805 ZFPUBWKAWXBJDR-QFIPXVFZSA-N 403.551 4.800 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 8478441 ODPMTVLPWLPZOG-OAHLLOKOSA-N 407.919 4.863 0 40 HJAB Nc1c(Br)cc(NC(=O)c2cccc(Cl)c2)cc1Br 8702097 JUBZZOWERYEAJZ-UHFFFAOYSA-N 404.489 4.700 0 40 HJAB O=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@H]1c1nc2ccccc2s1 8745397 RHUFJKUJPUYOTL-KRWDZBQOSA-N 404.495 4.643 0 40 HJAB CC(C)N(C(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C)C(C)C 8886400 UVOJUOHHMMACGD-PKOBYXMFSA-N 415.607 4.829 0 40 HJAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CC[C@@H]2CCCC[C@H]2C1 9337262 JUZYFADIUXEFIU-UNMCSNQZSA-N 400.526 4.646 0 40 HJAB Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O)nc2c1 10010679 RVENZVDJKIIIAK-UHFFFAOYSA-N 402.406 4.798 0 40 HJAB O=C1CCSc2ccc(C(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)cc2N1 10810795 QFBCMUYTQIGNAX-UHFFFAOYSA-N 412.898 4.964 0 40 HJAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 11649907 UNKPVKRQTMDKDB-UHFFFAOYSA-N 424.309 4.707 0 40 HJAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC(c2onc3c2C[C@@H](C)CC3)CC1 12119929 HVMONLJWBNOKGA-AWEZNQCLSA-N 409.505 4.677 0 40 HJAB O=C(NCc1ccc(F)cc1)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12134164 QSEUAIMTHSOMDE-UHFFFAOYSA-N 404.485 4.543 0 40 HJAB OC1(Cn2c(C(F)(F)F)cc3cccnc32)CCN(Cc2ccccc2Cl)CC1 12236366 PVOPHKLDYOOJHV-UHFFFAOYSA-N 423.866 4.736 0 40 HJAB Cc1ccc(NC(=O)NC(=O)CNc2ccccc2CN(C)C2CCCCC2)c(C)c1 12527167 XMMLRBXAFGJAOY-UHFFFAOYSA-N 422.573 4.828 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 12742050 LKMKZPAZZDWVKH-IYBDPMFKSA-N 420.962 4.568 0 40 HJAB Fc1ccc(CN2CCCN(c3nc(C(F)(F)F)nc4ccccc34)CC2)cc1 12790817 OAFQONPZQCNKKY-UHFFFAOYSA-N 404.411 4.500 0 40 HJAB CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1 13146106 MYBIWCKQGFIRRL-UHFFFAOYSA-N 423.900 4.641 0 40 HJAB COc1cc(OC)cc(-c2cc3nc4c(c(Nc5ccc(F)c(F)c5)n3n2)CCC4)c1 13534831 HDUFCHKVWRSKEJ-UHFFFAOYSA-N 422.435 4.924 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(COc3ccc(CC)cc3)n2CC)cc1 13842248 QRGYRWWOLHDZPC-UHFFFAOYSA-N 424.570 4.733 0 40 HJAB CCOc1ccccc1-c1nnc(SCC(=O)c2ccc(Br)cc2)o1 14152381 ASKSQGBNGPIFGN-UHFFFAOYSA-N 419.300 4.873 0 40 HJAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccccc1 14792761 CATGHKFPKOIOHO-DLBZAZTESA-N 406.457 4.723 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H](C)c3ccccc3)cc2)cc1C 15570628 FBGDRJIHLYHBTN-IBGZPJMESA-N 422.550 4.937 0 40 HJAB Cc1nc(-c2cccs2)c(CC(=O)N2CCN(c3cccc(C)c3C)CC2)s1 15840114 IKMPEVOVFZJRNQ-UHFFFAOYSA-N 411.596 4.688 0 40 HJAB O=c1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]nc1Cc1ccc(Cl)cc1 16777478 BIVQJTXSPDOAFD-UHFFFAOYSA-N 415.202 4.825 0 40 HJAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3O)oc2c1 17092661 BIJQFAXOSLUBPF-UHFFFAOYSA-N 421.453 4.775 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCCC3)n1 19691312 SBDDOPHTNXEFIC-QFIPXVFZSA-N 404.489 4.775 0 40 HJAB O=C(C[C@H]1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 19817409 BZZYAIBNJLUXRJ-FQEVSTJZSA-N 422.916 4.939 0 40 HJAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C(F)(F)F)c1 21196885 STRKPCNUMYDTCI-UHFFFAOYSA-N 419.230 4.652 0 40 HJAB CCCNc1c(NC(=O)c2ccc(Br)cc2)c(=O)oc2ccccc12 28049007 ASSGFKMJXOVJHY-UHFFFAOYSA-N 401.260 4.630 0 40 HJAB O=C(Nc1ccccc1C(=O)OCc1cn2ccccc2n1)c1ccc(Cl)cc1 32672286 GKHPJVSIZAAQQI-UHFFFAOYSA-N 405.841 4.597 0 40 HJAB O=C1CCCc2cc(C(=O)NC[C@H]3CC4c5ccccc5C3c3ccccc34)ccc2N1 32945931 UIWUJWRWGNXUJN-JNQTWWDWSA-N 422.528 4.989 0 40 HJAB Cc1cccc(Oc2ccccc2NS(=O)(=O)c2ccc(CCC(=O)O)cc2)c1 36386979 CQNFVRDSXAFRAI-UHFFFAOYSA-N 411.479 4.605 0 40 HJAB COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38834523 VSJVWLPEHWKBTE-OAHLLOKOSA-N 421.324 4.631 0 40 HJAB CCN(CC)c1nc2sc(C(=O)Nc3ccccc3N3CCCC3=O)cc2s1 40155157 SYJFAGRCLQQMAA-UHFFFAOYSA-N 414.556 4.583 0 40 HJAB O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCc1ccccc1 40397263 LSRANEIYEHPWBZ-UHFFFAOYSA-N 400.869 4.607 0 40 HJAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 41089900 VCMJVTDGHVDDDL-UHFFFAOYSA-N 403.404 4.991 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C(C)C)C(C)C)cc2Cl)cc1 44841137 CZBQMBSKUFDNNH-UHFFFAOYSA-N 422.978 4.860 0 40 HJAB C[C@@H](OC(=O)c1[nH]c2ccccc2c1Cl)C(=O)N1CCC[C@H]1c1cccs1 46350953 YHPTVFCYGXTORX-DOMZBBRYSA-N 402.903 4.792 0 40 HJAB Cc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(-n4cccn4)c3)CC2)c(C)c1 48333261 VFNPPYUWGPEFCC-UHFFFAOYSA-N 402.498 4.616 0 40 HJAB O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)Nc1ccc(F)cc1Cl 57486602 RKUSQVPNKFXRJX-UHFFFAOYSA-N 414.799 4.775 0 40 HJAB Cc1nc(C2(NCC(=O)Nc3ccccc3Oc3ccccc3)CCCCCC2)no1 57991225 KUKOWOFEDIWBSF-UHFFFAOYSA-N 420.513 4.948 0 40 HJAB Clc1cccc(-c2noc(Cc3nnc(-c4cccc(Br)c4)o3)n2)c1 67246228 JSNARYJLYJEYNX-UHFFFAOYSA-N 417.650 4.793 0 40 HJAB COc1ccc(NC2=NC(=O)S/C2=C\c2cccc(Oc3ncccn3)c2)cc1 71284550 VZVLGUFNNSORRW-AQTBWJFISA-N 404.451 4.996 0 40 HJAB O=C(CN1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1)Nc1ccc2ncccc2c1 72353207 BAVQKCOVGJHRIH-HSZRJFAPSA-N 424.508 4.544 0 40 HJAB Cc1sc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)nc1-c1ccc(CC(C)C)cc1 102196563 QFBPGWOTJNCCBZ-VJANTYMQSA-N 410.539 4.778 0 40 HJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc(OC)c(OC)c1 219690671 AFCOGAFOQFGFES-GUYCJALGSA-N 422.319 4.501 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 223869566 TXUYSFDRQMJPHY-INIZCTEOSA-N 421.368 4.706 0 40 HJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc(OC)c(C)c1 224141890 WWAKUCGHWXRCEK-KBXCAEBGSA-N 406.320 4.801 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 224848149 DNUITYXPWMKPCM-OAHLLOKOSA-N 422.953 4.515 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccccc1 225493672 GHUUXJFUNNVLJG-UGKGYDQZSA-N 412.599 4.809 0 40 HJAB Cc1ccc(CN(C(=O)COc2ccccc2C(C)(C)C)[C@@H](C)C(=O)NC(C)C)cc1 225533811 XTOANXPCIFICAQ-FQEVSTJZSA-N 424.585 4.613 0 40 HJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Br)cc2F)cc1C 225790717 KOXMPOTZDXIOKA-CYBMUJFWSA-N 411.340 4.959 0 40 HJAB O=C(O)c1cnc(N2CCCC[C@@H]2Cc2ccccc2)nc1CCc1ccc(F)cc1 257265138 LXLPDHCCAOOAAD-OAQYLSRUSA-N 419.500 4.701 0 40 HJAB Cc1nc(CN2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)co1 257290887 QESPAHJAKFOMCT-ZJOUEHCJSA-N 421.463 4.766 0 40 HJAB Cc1cccc(Nc2cncc([C@@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2)n1 257329540 XKJWLSHOSTVFGY-FQEVSTJZSA-N 421.932 4.873 0 40 HJAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)c1 408638364 CICQJFJALIFTFZ-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)c1C 409176311 KDKZBEMMXLEXLI-UHFFFAOYSA-N 411.841 4.825 0 40 HJAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)N3CCc4ccccc43)c12 409197293 ATSJVRSOCNLSPJ-UHFFFAOYSA-N 400.400 4.538 0 40 HJAB Cc1cc(NC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 539300862 IWBZFNNGDHXZJK-USNOLKROSA-N 410.518 4.754 0 40 HJAB COc1ccc2cc(C(=O)Nc3ccc4nc(C(C)C)[nH]c4c3)sc(=O)c2c1OC 1565524291 FGYNBSIJDPOFPB-UHFFFAOYSA-N 423.494 4.531 0 40 HJAB O=C1C[C@H]2[C@H](CCN2Cc2cccc(F)c2F)N1Cc1c(Cl)cccc1Cl 1565551864 LGTSPCDECPTOKV-ROUUACIJSA-N 411.279 4.647 0 40 HJAB Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccccc2)C4)c1 2200693 DOYUWHKAGHBDRY-GOSISDBHSA-N 400.507 4.638 0 40 HJAB O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ccccc2)CC1 3166722 GKWVUIWIAXWODD-UHFFFAOYSA-N 408.505 4.502 0 40 HJAB O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)NC1CCCCC1 3435939 WSNDICWLDGDALP-UHFFFAOYSA-N 406.457 4.647 0 40 HJAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=S)Nc3ccc(C(F)(F)F)cc3)cc12 4225392 YQAFOALRDNICBU-UHFFFAOYSA-N 419.472 4.693 0 40 HJAB COC(=O)c1c(C(C)(C)C)oc2cc(C)c(NS(=O)(=O)c3ccc(C)cc3)cc12 4735784 PCTYHHKUMSNABV-UHFFFAOYSA-N 415.511 4.935 0 40 HJAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCCc4ccccc4F)c(C)c3cc12 4743982 YMLYGVWGLFNEBL-UHFFFAOYSA-N 407.441 4.505 0 40 HJAB O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2nc(-c3ccccc3)cs2)CC1 4967203 QZLPZPBQKBYNRP-UHFFFAOYSA-N 422.598 4.611 0 40 HJAB aggregator Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1N1CCCCS1(=O)=O 5135909 BCWPKYKEMQCBGF-UHFFFAOYSA-N 420.534 4.844 0 40 HJAB COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)c1 5186159 ICSNMCWEKQKFEQ-SQJMNOBHSA-N 416.477 4.955 0 40 HJAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(OCCC)c2)c1 6386551 HHMWDYHUIJEMLD-UHFFFAOYSA-N 413.543 4.731 0 40 HJAB C[C@H](Sc1ncccn1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 6913141 GAANEBQMOVUDEK-GUYCJALGSA-N 412.902 4.582 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 7006976 SWISJQQFLQSFOT-UHFFFAOYSA-N 419.506 4.808 0 40 HJAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 7402705 WLNZRLYOGDMZIR-UHFFFAOYSA-N 422.554 4.701 0 40 HJAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2nc(-c3ccsc3)no2)n1 7553584 SVUJFVPMCNQMGG-UHFFFAOYSA-N 405.892 4.538 0 40 HJAB Cc1nc2ccccc2c(-c2ccccc2)c1N1C(=O)c2ccccc2S1(=O)=O 7986614 SABKNXBURPCMNG-UHFFFAOYSA-N 400.459 4.559 0 40 HJAB O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1NCc1ccc(F)cc1 8844625 BEFCXIZJMPKVID-UHFFFAOYSA-N 414.483 4.987 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 8868743 DRQXLRUPACCJHX-IBGZPJMESA-N 408.325 4.888 0 40 HJAB CCn1c(SCC(=O)N[C@H](c2ccccc2)c2cccs2)nnc1-c1ccco1 9257863 PISXLLLKYUFCHS-LJQANCHMSA-N 424.551 4.617 0 40 HJAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CC=C(c2ccccc2)CC1 9603667 KQQXUEJVSJDCBJ-UHFFFAOYSA-N 420.516 4.923 0 40 HJAB Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 9944364 JNSMFTLZJYGNDX-CQSZACIVSA-N 420.648 4.701 0 40 HJAB CC(C)Oc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 10369389 AQWMXLCLYJFEPA-UHFFFAOYSA-N 410.495 4.527 0 40 HJAB O=C1c2ccccc2CC[C@H]1[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 12377421 ZHTXYUBDBDHKCN-CJFMBICVSA-N 417.892 4.520 0 40 HJAB CC(C)[C@H](NC(=O)CCn1ncc(=O)c2ccccc21)c1ccc(C(C)(C)C)cc1 13019892 RBOAWBFERRRNQZ-DEOSSOPVSA-N 405.542 4.598 0 40 HJAB Cc1ccc(OCCNc2ncc(-c3cnccn3)c(-c3ccoc3C)n2)cc1C 13227170 USODGFIIQPSSGM-UHFFFAOYSA-N 401.470 4.610 0 40 HJAB O=c1n(CCc2ccccc2)c2sc3c(c2c2nc(-c4ccccc4)nn12)CCC3 13734364 DALKFACTBKQZOA-UHFFFAOYSA-N 412.518 4.504 0 40 HJAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)ccc1Cl 14002745 WXNDRUZMMPHNSQ-UHFFFAOYSA-N 400.906 4.682 0 40 HJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 14013534 DVJMTKGGERQSNW-QHCPKHFHSA-N 402.494 4.721 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cccc(N2CCCC2=O)c1 14189964 AVUKPQZHEXAKIB-UHFFFAOYSA-N 422.916 4.581 0 40 HJAB CN(C)C(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cc2ccccc2)cc1 14315578 NDUAMRQXWNNDKP-UHFFFAOYSA-N 422.912 4.650 0 40 HJAB COc1cc(OC)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1OC 14603085 IHDRLRVHCZTVJX-UHFFFAOYSA-N 410.495 4.577 0 40 HJAB COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4cccnc4)ccc3c2C)c1 15729376 VVHKGYYONPEFRY-UHFFFAOYSA-N 416.433 4.637 0 40 HJAB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H]1CC=CC[C@H]1Cc1ccccc1 16035159 RXFUGJQYDAQJPM-FUHWJXTLSA-N 406.457 4.857 0 40 HJAB Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)NCc2ccco2)nn1 16047712 KWSOTBDQJOZMTG-UHFFFAOYSA-N 422.535 4.577 0 40 HJAB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccs4)ccc3O)nc2c1 17093626 RDBHUBHQVPGUEM-UHFFFAOYSA-N 423.519 4.951 0 40 HJAB O=C(NC[C@H]1CCC[C@@H](CNC(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 18190501 HHMNNWQPOVHKQC-IYBDPMFKSA-N 419.352 4.960 0 40 HJAB CCc1nc2ccccc2n1[C@@H](C)C(=O)Nc1ccc(-n2nc(C)cc2C)c(OC)c1 19666265 HJKOGCYPRLBGIW-KRWDZBQOSA-N 417.513 4.610 0 40 HJAB c1ccc(COc2cccc(CNc3ccc([C@@H]4CCc5nncn5C4)cc3)c2)nc1 19699168 AWPZWPDVNUZWCA-OAQYLSRUSA-N 411.509 4.594 0 40 HJAB CN1CCc2nc3sc(C(=O)Nc4ccccc4)c(N)c3c(-c3cccs3)c2C1 19816085 QNCQRGGPCLUDNY-UHFFFAOYSA-N 420.563 4.847 0 40 HJAB Cc1nccn1Cc1cccc(CNC(=O)/C=C/c2cccc(Cl)c2Cl)c1 30585081 BWAQJWYTQINSJA-CMDGGOBGSA-N 400.309 4.876 0 40 HJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 30757150 ROAUITWSMCFJPZ-FQEVSTJZSA-N 420.475 4.828 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(OCCSc2ccccc2)cc1 30872693 LYZZCJUUPHCUMB-UHFFFAOYSA-N 407.491 4.881 0 40 HJAB CN(C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1)c1ccccc1 31808877 QBYXQRXSASSFBS-UHFFFAOYSA-N 423.310 4.907 0 40 HJAB Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)c1cc(F)c(F)cc1Cl 32610180 JGOGKDLCIFEIHL-UHFFFAOYSA-N 409.795 4.859 0 40 HJAB Cc1ccc(CSCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38837182 KMXZEBDIPPFYOL-OAQYLSRUSA-N 417.018 4.910 0 40 HJAB CN(C(=O)CSc1ccccc1C(=O)N1CCc2ccccc2C1)C1CCCCC1 40159851 BMWPPMGBSPXQRM-UHFFFAOYSA-N 422.594 4.768 0 40 HJAB CC[C@H](C)n1c(SCC(=O)Nc2ccc(Cl)cc2)nc2ccsc2c1=O 67335235 QGQTVOKZNLMMSD-NSHDSACASA-N 407.948 4.813 0 40 HJAB C[C@H]([C@H]1CC[C@@H](C)CN1)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 70691648 IRRHFODGOMSPEE-QKVRCUAGSA-N 415.662 4.921 0 40 HJAB biogenic CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1ccc(-c2cccc(Cl)c2)o1 71279417 HASNRSMTFDOUFF-HNNXBMFYSA-N 413.861 4.792 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N(C)c3ccccc3)nc2)cc1 72214207 FNCBBXSTLRPMPC-JOCHJYFZSA-N 407.539 4.684 0 40 HJAB Cc1cc(Cc2ccccc2)cc([C@H]2CCN(C(=O)CCn3cnc4ccccc43)C2)n1 72374780 WUMPQOXRLBQRRI-QHCPKHFHSA-N 424.548 4.737 0 40 HJAB O=C(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)c1ccc2c(c1)OCCO2 73667394 ZDQCBFMLARYELX-UHFFFAOYSA-N 417.396 4.566 0 40 HJAB CCOC(=O)SCc1nc(=O)n(Cc2ccccc2)c2sc3c(c12)CCCC3 85407523 ZZRCHIUHKLABKL-UHFFFAOYSA-N 414.552 4.775 0 40 HJAB CC(C)c1ccc(-c2ccc(=O)n(Cc3nc(-c4cccc(Cl)c4)no3)n2)cc1 96322872 WZSITLVOQOLRRK-UHFFFAOYSA-N 406.873 4.785 0 40 HJAB CC(=O)OC1=CC2=CC[C@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 199638632 NKRSTAFEONTRTA-RFXJPFPRSA-N 414.542 4.897 0 40 HJAB in-vitro CCSc1ccccc1NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 222574776 OOAFHWZNVXUWSA-UHFFFAOYSA-N 420.600 4.600 0 40 HJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 222942102 UEUOBVLGXNDDOS-KRWDZBQOSA-N 413.543 4.912 0 40 HJAB CCCC[C@@H](CC)CNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 223463298 KHSNIKGJOISLNE-HXUWFJFHSA-N 416.587 4.523 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F 225129312 MABZJZZQBHXUKC-XMMPIXPASA-N 424.560 4.933 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)C2CCCCC2)cc1 408614143 YVEUFRMEQICXGU-UHFFFAOYSA-N 420.619 4.548 0 40 HJAB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N(C)C1=S 409031611 HNVAJMPXLZCFKI-ZDLGFXPLSA-N 421.349 4.992 0 40 HJAB C[C@@H]1CCC2=NN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409057135 IUICRTWDGCNVTC-IQVOZAENSA-N 402.416 4.853 0 40 HJAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cn(C(C)C)c3ccccc23)C1=O 409211700 OCVQJEBJWNQFFF-YFEUJDIGSA-N 400.500 4.600 0 40 HJAB O=c1cc(CSc2nc3cc(Cl)ccc3o2)nc2ccc(Br)cn12 684040783 LWKFSXGAOVAAOJ-UHFFFAOYSA-N 422.691 4.544 0 40 HJAB CCCCNC(=O)c1ccc(CNC(=O)c2ncsc2Nc2ccc(C)cc2)cc1 1141667299 SJYWNFIQICJLLD-UHFFFAOYSA-N 422.554 4.655 0 40 HJAB CC(C)c1cnc(Nc2cccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)n2)s1 2037835843 BRYYQVRWHKQYBI-OAHLLOKOSA-N 404.536 4.714 0 40 HJAB Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(OCc2ccccc2Cl)n1 1392256 VPPQPLSSTQXDQC-UHFFFAOYSA-N 423.321 4.645 0 40 HJAB CCCCCCOC(=O)c1ccccc1N[C@H]1OC(=O)c2c1ccc(OC)c2OC 2134157 JXKLPVGGLYJBTA-NRFANRHFSA-N 413.470 4.722 0 40 HJAB biogenic CC(=O)c1sc2ccccc2c1OC(=O)c1ccccc1I 2281996 HVKXKGZTUFBSNQ-UHFFFAOYSA-N 422.243 4.928 0 40 HJAB O=C(c1ccccn1)N(Cc1cccs1)C1(C(=O)NC2CCCC2)CCCCC1 2457447 YDBRGXVTNYWGLE-UHFFFAOYSA-N 411.571 4.547 0 40 HJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2Cl)N2C(=O)[C@@H](C)SC2=N1 2701713 YQXRMLNCJYTHIF-MEBBXXQBSA-N 413.326 4.594 0 40 HJAB CCCCN[C@@H](C)[C@@H](O)c1ccc(-c2ccc([C@H](O)[C@@H](C)NCCCC)cc2)cc1 4430025 HLQCZIGONWBKKO-KYVQNOJUSA-N 412.618 4.977 0 40 HJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)cc2OC)cc1 4590835 WCAAZHVKQLECMC-RCZVLFRGSA-N 416.477 4.955 0 40 HJAB O=C(c1ccc(Cl)cc1)n1nc(NCc2ccccc2)nc1NCc1ccccc1 4723801 JSSZQJGLSLRYKG-UHFFFAOYSA-N 417.900 4.844 0 40 HJAB O=C(CN1CCCCC1)Nc1sc2c(c1C(=O)c1ccccc1Cl)CCC2 4847592 RALHGAIARVIIRF-UHFFFAOYSA-N 402.947 4.546 0 40 HJAB Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 5156371 KQNRBRFHDRLEGL-HXUWFJFHSA-N 402.837 4.900 0 40 HJAB C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 5208347 JYCYCAJJVZNFGH-INIZCTEOSA-N 401.422 4.935 0 40 HJAB CCOc1ccc(-c2nnc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)o2)cc1 5561319 ZKLDZCZFDIZCTE-LJQANCHMSA-N 409.511 4.591 0 40 HJAB COC(=O)CSc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 5562622 IPOGAJIJDVCCQL-UHFFFAOYSA-N 403.935 4.921 0 40 HJAB CCCOc1c(Br)cc(C(=O)Nc2ccc(OC)cc2)cc1OCC 5978789 DFZKIXXYWBCZSK-UHFFFAOYSA-N 408.292 4.898 0 40 HJAB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1sccc1C 6323681 DURPEWOVRPRMBF-RGVLZGJSSA-N 404.333 4.754 0 40 HJAB COc1ccc(CNC(=O)[C@@H](C)Sc2ncc(C(F)(F)F)cc2Cl)cc1 6899858 MANRSHYEVBIJOF-SNVBAGLBSA-N 404.841 4.559 0 40 HJAB Cc1csc2nc(CSc3ccccc3NC(=O)C3CCCCC3)cc(=O)n12 7007215 WGJKSPAFXCPXNY-UHFFFAOYSA-N 413.568 4.876 0 40 HJAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(NC(=O)c2cccs2)cc1 8012688 NMZDGZKLDKINLF-UHFFFAOYSA-N 419.550 4.526 0 40 HJAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)c3ccccc3n2)o1 8346193 RFXBXNFFJVSPTA-UHFFFAOYSA-N 411.461 4.948 0 40 HJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 9038319 VIMQHMFKTQTLFS-UHFFFAOYSA-N 404.897 4.720 0 40 HJAB Cc1c(C)n(-c2ccccn2)c2ncn3nc(-c4ccccc4Br)nc3c12 9060667 PYCVJPBLAWGULJ-UHFFFAOYSA-N 419.286 4.510 0 40 HJAB CCOC(=O)C1CCN(C(=O)[C@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)CC1 9420157 LKICZSDEPUKZAX-CQSZACIVSA-N 412.917 4.880 0 40 HJAB Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4cccc(Cl)c4)c3C)ns2)cc1C 9638678 UNVOROCBWVGJJT-UHFFFAOYSA-N 424.917 4.617 0 40 HJAB O=C(Nc1cccc(I)c1)c1occc1COc1ccccc1 11430368 UDERDOUJSVWWMO-UHFFFAOYSA-N 419.218 4.716 0 40 HJAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(CC4CCCC4)CC3)C1)c1cccn1-2 12120900 GBSVXIMGAAWNKB-VWLOTQADSA-N 407.558 4.552 0 40 HJAB CCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C(C)C)cc3)n2)cc1 12441043 GOAIUCGZMZGEON-UHFFFAOYSA-N 419.525 4.851 0 40 HJAB CCOc1ccc([C@H]2CCCN2Cn2ncn(-c3ccc(OC)cc3)c2=S)cc1 12587403 YPIFGYZYUDGZQY-OAQYLSRUSA-N 410.543 4.605 0 40 HJAB CCC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1 12917279 RXJIHHBQUFEJFG-UHFFFAOYSA-N 400.438 4.799 0 40 HJAB CCCc1ccc(-c2csc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)n2)cc1 12935663 IBTSMDDWVUDNQH-UHFFFAOYSA-N 421.522 4.665 0 40 HJAB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2SCC(=O)N2C[C@H]2CCCO2)cc1 13013749 OJFNMYQBRXBWEC-HYBUGGRVSA-N 419.550 4.601 0 40 HJAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1Cl 13062017 IEUVEOWSGZXWKG-MRXNPFEDSA-N 407.297 4.540 0 40 HJAB COc1ccc(S(=O)(=O)NCCCc2ccccc2Cl)c(Cl)c1Cl 13646032 CHZAQMWLEBPQOQ-UHFFFAOYSA-N 408.734 4.567 0 40 HJAB COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN23)c1 13778004 WMMGYLINIRACHC-BWKNWUBXSA-N 416.477 4.955 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3Cl)n2C)c1 13870577 OTFLRJWWKQXFSH-AWEZNQCLSA-N 416.934 4.648 0 40 HJAB O=C(CSC1=NC(c2ccccc2)=NCN1c1ccccc1)Nc1ccc(F)cc1 15860590 BMAMAHJKHHBDCU-UHFFFAOYSA-N 418.497 4.778 0 40 HJAB Cc1ccccc1NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 15945942 FZYHOHKVGDIVSB-SFHVURJKSA-N 424.522 4.581 0 40 HJAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccccc1Cl 17093334 FYDQMRZBYUPPSZ-UHFFFAOYSA-N 422.897 4.978 0 40 HJAB CC(C)CC(=O)N1CC[C@](Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)C1 19446222 XHAYWXQKJFASMA-XMMPIXPASA-N 412.599 4.747 0 40 HJAB O=c1[nH]c(CN[C@@H](Cc2ccccc2)c2ccccc2)nc2sc3c(c12)CCC3 19538847 IIAQKXIJSRWLEH-IBGZPJMESA-N 401.535 4.547 0 40 HJAB O=C(COc1ccccc1F)N1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 19690335 DRFCABAQJIFNAJ-FQEVSTJZSA-N 422.475 4.736 0 40 HJAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Br)cc1 20029883 JLGDKKRPOXYDIZ-SECBINFHSA-N 409.132 4.795 0 40 HJAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1 20610577 BUXRAGRTAPSDJE-UHFFFAOYSA-N 400.438 4.525 0 40 HJAB O=C(Nc1ccccc1Br)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 24003962 DVEVIQJFEMGTCB-OAHLLOKOSA-N 409.283 4.594 0 40 HJAB Cc1c(C(=O)Nc2nonc2-c2cccs2)oc2ccc(Br)cc12 27663396 NZNDOFQMMYBJHR-UHFFFAOYSA-N 404.245 4.868 0 40 HJAB COc1ccc(CN(C)C(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 30946141 QBDRDJQKDWKLLF-UHFFFAOYSA-N 421.368 4.873 0 40 HJAB Cc1ccc(-c2nnc(CSc3nc(N)c4c5c(sc4n3)CCCC5)o2)cc1 31612995 YOUIOJKAMYQPOS-UHFFFAOYSA-N 409.540 4.803 0 40 HJAB CC(=O)N[C@H](CC(=O)N(CC(C)C)c1nc2ccccc2s1)c1cccs1 32878860 ATSWTKADKYFKLL-MRXNPFEDSA-N 401.557 4.614 0 40 HJAB C[C@H]1CCCN(C(=O)COc2ccccc2-c2noc(-c3cccc(Cl)c3)n2)C1 33325246 CAOMSDKSKBDMEH-HNNXBMFYSA-N 411.889 4.694 0 40 HJAB CC(C)c1cccc(NC(=O)CS(=O)(=O)Cc2csc(-c3cccs3)n2)c1 40106207 XGGRNDDJKJLAKC-UHFFFAOYSA-N 420.581 4.549 0 40 HJAB Cc1cc2nn(CN(Cc3ccccn3)[C@@H]3CCSC3)c(=S)n2c2ccccc12 40149124 LQYAFFSDAZBGQS-GOSISDBHSA-N 421.595 4.687 0 40 HJAB CC[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(OC)c(OC)c1 44856869 RWBRMFMGDAOTME-QFIPXVFZSA-N 410.558 4.817 0 40 HJAB CC[C@H](C)n1c(SCC(=O)Nc2ccc(Cl)cc2F)nc2cc(C)[nH]c2c1=O 67238929 GBDRVTUWXHOUKW-NSHDSACASA-N 422.913 4.527 0 40 HJAB COc1ccc(-c2nc(C)cc(SCC(=O)N3CCCc4ccccc43)n2)cc1 67257510 WJDDAOPORZCPSF-UHFFFAOYSA-N 405.523 4.532 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72358932 MUKLVJATYYAUOJ-SFHVURJKSA-N 409.892 4.885 0 40 HJAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccc3ccccc3n2)C1 72361002 PQMCVRIKGQOQAS-QGZVFWFLSA-N 416.550 4.536 0 40 HJAB O=C(NNc1ccc(F)cc1)c1ccc(Oc2ccc(F)cc2Br)nc1 84414732 IDXPMWZYQCTLDZ-UHFFFAOYSA-N 420.213 4.672 0 40 HJAB CCCCN(CC)C(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 96037785 FFJKZGLXJIFNQD-UHFFFAOYSA-N 403.530 4.679 0 40 HJAB Cc1ccc(NC(=O)c2cc(-c3cnc(NCc4ccccc4)nc3)cn2C)c(C)c1 96147610 OTMXRBZREHXVCZ-UHFFFAOYSA-N 411.509 4.963 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)c(C)c1 101095781 HOOCXMXKWQBITR-UHFFFAOYSA-N 412.511 4.565 0 40 HJAB Cc1ccc(NC(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)ccc2Cl)cc1 224329480 IMOQHMKWMKHTHB-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C 224628938 IPULVZOVQALAHT-QHCPKHFHSA-N 424.585 4.570 0 40 HJAB CC(C)(C)c1ccc(-c2noc(CNC(=O)COc3ccc4c(c3)CCCC4)n2)cc1 224677292 PEPHVTZPOHRQGM-UHFFFAOYSA-N 419.525 4.608 0 40 HJAB COc1cccc(-c2cnc(CCC(=O)N3CCC(Cc4ccccc4)CC3)o2)c1 224848561 JYDSNZKSWVGDIB-UHFFFAOYSA-N 404.510 4.764 0 40 HJAB O=C(CSCc1ccc(Cl)cc1F)N1CCN(c2cccc(Cl)c2)CC1 225055557 HMMQIDCOAPQAGP-UHFFFAOYSA-N 413.345 4.715 0 40 HJAB CC(C)c1nc(Cc2ccc(NC(=O)c3cc(-c4ccc(F)cc4)on3)cc2)no1 225900703 DPYBWUWKORYKIJ-UHFFFAOYSA-N 406.417 4.830 0 40 HJAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 252461636 NEMWYOKGHGSVSC-AGSGSVLHSA-N 415.662 4.563 0 40 HJAB biogenic CCc1ccc(CN(Cc2ccccc2)C(=O)COc2cc(C)ccc2C(=O)O)cc1 257221097 DNLUWHGLNNOYCC-UHFFFAOYSA-N 417.505 4.863 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)c1 257287587 PQORSWJOYRVRIC-OAQYLSRUSA-N 410.901 4.834 0 40 HJAB COCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C1=O 409148018 OEUOKWAHKBYVLE-LDADJPATSA-N 403.887 4.602 0 40 HJAB O=C(NC[C@H](O)c1csc2ccccc12)C1c2ccccc2Oc2ccccc21 585147982 BOGPZBHERYJZPG-IBGZPJMESA-N 401.487 4.989 0 40 HJAB CCN(CC)C(=O)c1ccc2c(c1)CN(CC(C)C)CCCCCCCN2C(C)=O 643576289 VLFCNHBDRIMZOI-UHFFFAOYSA-N 415.622 4.944 0 40 HJAB CO[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21)c1ccccc1C(F)(F)F 1538165938 ZBBRRSPGGJDGEX-SJLPKXTDSA-N 411.395 4.951 0 40 HJAB Cc1cc(C)c2cc(C(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)[nH]c2c1 1543441915 MXSQVTIKBSQXOM-INIZCTEOSA-N 401.432 4.812 0 40 HJAB Cc1ccc(C(F)(F)F)c2c1N(C(=O)[C@H]1CC(=O)N(C)c3ccccc31)C[C@@H](C)C2 1623377732 CNEQDSJSYIBYJG-BBRMVZONSA-N 416.443 4.689 0 40 HJAB CC(C)Cn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccccc1F 687292 AILPVPUWMCWPPF-UHFFFAOYSA-N 412.534 4.589 0 40 HJAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)NCc2ccccc2)cc1 1175304 DFMZNKBYCPPVRY-SAPNQHFASA-N 409.489 4.878 0 40 HJAB Cc1ccc(C)c(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccco2)c1 1379924 BYXFJKMTFRSSJB-QFIPXVFZSA-N 406.482 4.936 0 40 HJAB Clc1ccccc1Nc1nc2nonc2nc1Nc1cccc(Br)c1 3021106 WNSKCMLSJQOXEH-UHFFFAOYSA-N 417.654 4.916 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1ccc(F)cc1 3111107 QFLJAKFTRCXLOK-UHFFFAOYSA-N 423.387 4.930 0 40 HJAB COc1cc(/C=C/C(=O)NCCc2ccc(Cl)cc2Cl)ccc1OC(F)F 3254397 BAZPBHXUTMWGAU-XVNBXDOJSA-N 416.251 4.976 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)C(c2ccccc2)c2ccccc2)cc1 3264708 MIJGTESXPGIVLF-GOSISDBHSA-N 401.462 4.592 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 3444803 GFJCCTLGAPNESU-INIZCTEOSA-N 405.425 4.665 0 40 HJAB C[C@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(=O)NC1CCCC1 3513882 YISBBUOKGKMXKK-HNNXBMFYSA-N 406.457 4.645 0 40 HJAB COc1ccc2c(c1)Cc1sc(NC(=O)c3ccccc3Br)nc1-2 3651698 WXTVTYLNWFRBMK-UHFFFAOYSA-N 401.285 4.738 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)c1 4679748 YJDDILOHSCXHDD-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB O=C(CSC1=Nc2ccccc2C2=N[C@H](c3ccccc3)C(=O)N12)c1ccccc1 4969570 LVGMXEDXPTXPTH-OAQYLSRUSA-N 411.486 4.634 0 40 HJAB CCc1ccc(-c2n[nH]c(SCC(=O)c3cccc(Br)c3)n2)cc1 5180537 KWFHCTNPGQUSBW-UHFFFAOYSA-N 402.317 4.772 0 40 HJAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(OC)c(OC)c2)cc1 5256280 KYSRUYFCGOVVEG-QHCPKHFHSA-N 421.497 4.541 0 40 HJAB CC1(C)Cc2c(sc3c2c(=O)n(C2CCCCC2)c(=O)n3Cc2ccccc2)CO1 5274487 JELQNBFRNDMFSI-UHFFFAOYSA-N 424.566 4.630 0 40 HJAB O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)c1ccc2c(c1)CCC2 5318404 NFNLJLXAAFZIED-UHFFFAOYSA-N 404.466 4.636 0 40 HJAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1cc(Cl)cc(Cl)c1 5324358 QUWIHIONVZDVBU-UHFFFAOYSA-N 404.297 4.902 0 40 HJAB Cc1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c1C 5619846 RMZKXXCDCXJGEJ-WIYYLYMNSA-N 412.530 4.741 0 40 HJAB S=C(NC[C@@H]1CCCO1)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 6335544 TZBOBUYUGJHYDP-YJBOKZPZSA-N 413.974 4.596 0 40 HJAB Cc1cccc(NC(=O)COc2cccc(C=C3C(=O)c4ccccc4C3=O)c2)c1C 6479107 GRALQDYCFHLIKT-UHFFFAOYSA-N 411.457 4.784 0 40 HJAB Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c(C)c1 6531691 DOKWCTKPYUZHEG-UHFFFAOYSA-N 414.534 4.980 0 40 HJAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccccc1Oc1ccccc1 7062529 ZMQICENDDCRKLH-UHFFFAOYSA-N 402.450 4.623 0 40 HJAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccnn2C2CCCC2)s1 7753523 CRQWVWYJTKCHHV-UHFFFAOYSA-N 414.560 4.633 0 40 HJAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(F)c1 8078425 ZXJSOURTELJUEH-JHAVZTMOSA-N 402.267 4.694 0 40 HJAB COc1ccc(-c2csc3ncnc(Nc4ccc(C(=O)N(C)C)cc4)c23)cc1 8747320 BBBHXEYNZSHGIF-UHFFFAOYSA-N 404.495 4.812 0 40 HJAB O=C(CSc1nnc(Nc2ccc(F)cc2)s1)N[C@@H]1CCCc2ccccc21 9365959 GAQUJJZZPBMMEK-QGZVFWFLSA-N 414.531 4.707 0 40 HJAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 9479852 ZFJKBHFVRUZZFJ-UHFFFAOYSA-N 412.493 4.911 0 40 HJAB Cc1ncc(-c2ccccn2)c(CN(Cc2ccccc2)C(=O)c2ccccc2F)n1 12089181 PNGQKOCDNAKJRJ-UHFFFAOYSA-N 412.468 4.829 0 40 HJAB COc1cc(NC(=O)[C@@H](C)Sc2nccn2-c2ccc(C)cc2C)cc(OC)c1 12578571 JPELJWWBSQZZOX-MRXNPFEDSA-N 411.527 4.626 0 40 HJAB Cn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(-c2ccc3c(c2)OCCCO3)n1 12781363 YEYDWDXFHSNEDE-UHFFFAOYSA-N 418.280 4.808 0 40 HJAB Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 12977578 HSCVIBALOHRJQC-GOSISDBHSA-N 404.466 4.871 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12979381 KKPNMBIFOHTWDY-UHFFFAOYSA-N 409.555 4.797 0 40 HJAB Cc1nc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)cc2)cs1 12986399 GEDVACFZRWKHOZ-MRXNPFEDSA-N 411.552 4.671 0 40 HJAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc(C(N)=O)cc2)cc1 13002261 HBRXRDJMKZMGRW-UHFFFAOYSA-N 413.477 4.514 0 40 HJAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Oc1ccc(Br)cc1F 13003272 MQQUFECAXYKFGJ-UHFFFAOYSA-N 410.239 4.999 0 40 HJAB O=C(Cc1c(Cl)cccc1Cl)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 13327905 OSHGXPRUXWLHLW-UHFFFAOYSA-N 407.385 4.649 0 40 HJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccc(C(F)(F)F)cc1 13695403 NPUOACRSEQDXNC-UHFFFAOYSA-N 400.356 4.754 0 40 HJAB COc1ccc2cc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)ccc2c1 14242425 LSDCVXDOWCYJOK-QFIPXVFZSA-N 403.478 4.987 0 40 HJAB CCC(=O)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19498832 UTUOQKBGPDNJKK-FQEVSTJZSA-N 405.477 4.885 0 40 HJAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CC23CCC3)C1 19528814 VGJILEQHACZUOZ-CJFMBICVSA-N 422.594 4.503 0 40 HJAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)cc2)C1 20458229 LVEBHYOLPDYJDP-GOSISDBHSA-N 407.558 4.699 0 40 HJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(I)cc1C 22529617 IAYXNGPTCYTKDJ-INIZCTEOSA-N 409.267 4.704 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)Nc2cccc(Cl)c2)c1 26780038 YRVXIPNDIPSVIX-UHFFFAOYSA-N 416.330 4.668 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(SC3CCCC3)cc2)cc1NS(C)(=O)=O 30510017 PANWHOWUMAWWQF-UHFFFAOYSA-N 404.557 4.654 0 40 HJAB O=C(NCc1cnn(-c2ccccc2)c1)N[C@@H](c1ccc(F)cc1)c1cccs1 32795358 MFVMWKZUTCHJOK-NRFANRHFSA-N 406.486 4.662 0 40 HJAB Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2F)cc1C 40069483 VCHFRZLZULWFGC-UHFFFAOYSA-N 406.413 4.676 0 40 HJAB Cc1[nH]c2c(C(=O)Nc3cc4c(cc3Br)OCCO4)cccc2c1C 40087017 UCCTVDFLCQSQAH-UHFFFAOYSA-N 401.260 4.571 0 40 HJAB O=C(CCNC(=O)OCC(F)(F)F)Nc1ccccc1Oc1ccccc1Cl 40157980 UAOMEQXXKMJRNK-UHFFFAOYSA-N 416.783 4.749 0 40 HJAB O=C(CSc1cc(NCc2ccc(Cl)cc2)ncn1)Nc1cc(F)ccc1F 49006723 GOUBCXCZOFPLBT-UHFFFAOYSA-N 420.872 4.751 0 40 HJAB O=C(CSc1ccc(-c2nc(-c3ccccc3)no2)cn1)Nc1ccc(F)cc1 49405483 XDBXCSOKLYEFQU-UHFFFAOYSA-N 406.442 4.669 0 40 HJAB C[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 49581378 AFJYENDFSFYNKZ-IEBWSBKVSA-N 418.562 4.899 0 40 HJAB CCN(c1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1)C(C)C 58218846 XASULSYQZMHYJC-UHFFFAOYSA-N 419.569 4.618 0 40 HJAB CC[C@H](C)n1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc2cc(C)[nH]c2c1=O 67238701 MGPUZLSMDVLPDO-ZDUSSCGKSA-N 418.950 4.697 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1cc(C)nc(-c2cccc(F)c2)n1 67257476 LJQLUUUNHRCIPZ-UHFFFAOYSA-N 417.893 4.984 0 40 HJAB Cc1cccc(-n2c(=O)c3sccc3n(Cc3ccccc3C(F)(F)F)c2=O)c1 67258174 FFAXHNARQAFIQG-UHFFFAOYSA-N 416.424 4.589 0 40 HJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cccc(C)c3C)oc12 67298932 XPLQUEUVMJVHMO-LCUIJRPUSA-N 402.450 4.814 0 40 HJAB CC(C)(C)OC(=O)N1CC[C@@H](c2cccc(Oc3ccc(F)cc3)c2)[C@@H]1C(=O)O 72233853 ZIVKGLPAHUUWRK-RBUKOAKNSA-N 401.434 4.796 0 40 HJAB CC(C)n1c([C@H]2CCCN(C(=O)Nc3nnc(C4CC4)s3)C2)nc2ccccc21 72305825 DAWQSNDAAXOPDY-HNNXBMFYSA-N 410.547 4.758 0 40 HJAB S=C(Nc1cccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1)N[C@H]1C[C@H]2CC[C@@H]1C2 100999081 IDCCYCFBXABYHM-MGTDTEAMSA-N 414.644 4.637 0 40 HJAB COc1ccc(C(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)cc1OC 101096615 AWRZKXDITPCIPN-UHFFFAOYSA-N 422.481 4.807 0 40 HJAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1N1C(=O)[C@H]2CCCC[C@H]2C1=O 101593781 XQDLIZUHBWFDEL-OKILXGFUSA-N 406.313 4.535 0 40 HJAB Cc1cc(C)c(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccs3)C2=O)c(C)c1 102724024 GGXVKOKJHJWILE-ILWGZMRPSA-N 418.518 4.724 0 40 HJAB C[C@@H]1[C@@H](NC(=O)CCC(=O)Nc2ccc(OCCc3ccccc3)cc2)CCC[C@H]1C 103140968 FJGYJYVPOMIGPN-NMMYMHLASA-N 422.569 4.968 0 40 HJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4ccncc4)c3C)N21 222674936 DDPBXADSUZPBRQ-WWPVKYPJSA-N 417.582 4.923 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2ccccc2Cl)c1 223386013 JAFQNIIHXPGMBH-JWGURIENSA-N 422.912 4.761 0 40 HJAB CC(C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223424086 XGEOFUSZMFHYRE-UHFFFAOYSA-N 410.923 4.526 0 40 HJAB Cc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@@H](C)C(=O)NC2CCCC2)c1 223806143 SIPIMZGVJVSKSK-NRFANRHFSA-N 406.570 4.630 0 40 HJAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 223852358 TUSGCCXWPSTTAG-FCHUYYIVSA-N 404.539 4.881 0 40 HJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)cc1)c1ccccc1C 223874247 QQHDGHIBZUADFW-NRPPHEFGSA-N 418.493 4.635 0 40 HJAB CCC(C)(C)NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224068129 XADIDKIGNBGCPW-UHFFFAOYSA-N 415.342 4.713 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 224269299 NQVWLZPTVDXQTO-HXUWFJFHSA-N 418.990 4.517 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 225191913 PXMUCCHPMQNBTM-HOTGVXAUSA-N 421.368 4.868 0 40 HJAB FC(F)(F)c1cc(-c2noc(C3CCNCC3)n2)c2cccc(C(F)(F)F)c2n1 228920458 IJGNHXUXYSGSOK-UHFFFAOYSA-N 416.325 4.789 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(OC)cc3)n2)cc1 408696231 YGUBKQBWFSLSHE-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)N(C)C2=S)cc1 409041359 ZYMJBTVXGDNQPI-YBEGLDIGSA-N 423.321 4.702 0 40 HJAB Cc1nc(S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)O)n[nH]1 409189303 PBKWDRBBFOOVPC-GRSHGNNSSA-N 424.913 4.987 0 40 HJAB COc1ccccc1CSCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 609853096 XIJVTYRZCSPNQW-QGZVFWFLSA-N 412.536 4.961 0 40 HJAB O=C(O)c1ccc2c(c1)Cc1cccc(c1)CN(Cc1nccs1)CCCCCO2 643583145 SBTKFPIJNLHXQD-UHFFFAOYSA-N 422.550 4.997 0 40 HJAB CC(C)([C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1)N1CCCC1 1538219460 KIQOPKUYESFUJK-OAQYLSRUSA-N 406.904 4.893 0 40 HJAB CC(C)Oc1ccccc1CN1CC[C@H]2[C@@H]1CC(=O)N2Cc1ccc(F)cc1Cl 1565550873 JGZGVFXUBYGTOC-SFTDATJTSA-N 416.924 4.642 0 40 HJAB Cc1ccc(C)c(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 835324 GYCVMSJVPASVAP-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCC(C)C)cc12 883273 NFZNQYCFIWOIPF-UHFFFAOYSA-N 407.583 4.678 0 40 HJAB CCCOc1ccc(NC(=O)c2ccc(C)c(N3C(=O)c4ccccc4C3=O)c2)cc1 1792285 SCSXXOXFDBUBHX-UHFFFAOYSA-N 414.461 4.837 0 40 HJAB Cn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)c2ccccc21 2351326 BWZZYDSLNXUJCZ-QNGOZBTKSA-N 421.928 4.615 0 40 HJAB CCc1cccc2c(C(=O)CSc3nnc(-c4cccc(OC)c4)n3C)c[nH]c12 3361958 WUDDTHDRYIJQQD-UHFFFAOYSA-N 406.511 4.509 0 40 HJAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)c1cc2ccccc2o1 3420969 SVNWTVLFMDSIJF-UHFFFAOYSA-N 412.511 4.638 0 40 HJAB CCCCOc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1 3656285 HEFOQVJTCGYFGC-UHFFFAOYSA-N 421.526 4.901 0 40 HJAB CCOC(=O)CC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 4130348 VVXNDFOXSKPICU-UHFFFAOYSA-N 400.887 4.565 0 40 HJAB CCN(CC)C(=O)Oc1ccc2oc(=O)c(-c3ccc(OC)c(OC)c3)c(C)c2c1 4340784 KVYBLMOERCZYJA-UHFFFAOYSA-N 411.454 4.626 0 40 HJAB biogenic CC[C@@H](C)COC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc12 5100527 ZHBCCLVNSXWVPK-CQSZACIVSA-N 402.498 4.976 0 40 HJAB Cc1cccc(-c2nnc(SCc3cn4ccccc4n3)n2Cc2ccco2)c1 5174100 RGBWWGVZVXFYBK-UHFFFAOYSA-N 401.495 4.835 0 40 HJAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3ccc4ccccc4c3)ccc21 5197253 ZFVGJGURXDRIKT-UHFFFAOYSA-N 411.548 4.527 0 40 HJAB O=C(COC(=O)c1ccccc1Nc1ccccc1)N[C@H]1CCCc2ccccc21 6038154 QRXKKLVEVQTSBC-QFIPXVFZSA-N 400.478 4.781 0 40 HJAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1nc2c(s1)CCCC2 6639215 UCSNXSKCKGILRG-LJQANCHMSA-N 405.523 4.522 0 40 HJAB Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccc(C(C)C)cc4)c3C)ns2)cc1 6914515 YLLCORPQAZYLDK-UHFFFAOYSA-N 418.526 4.778 0 40 HJAB COc1ccc(-c2csc(NC(=O)CSc3ccc(NC(C)=O)cc3)n2)cc1 6919783 SZKMZWCMBPSOCE-UHFFFAOYSA-N 413.524 4.508 0 40 HJAB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 6970141 PDQAVIIYEKHPTR-GDNBJRDFSA-N 403.379 4.990 0 40 HJAB O=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1 6979955 VPGFIKUCJXUZKV-UHFFFAOYSA-N 404.897 4.533 0 40 HJAB O=C(CCc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 7360902 JMSHJKMCWXPONS-UHFFFAOYSA-N 414.914 4.712 0 40 HJAB CC1=C(C(=O)N(C)C)[C@@H](c2ccccc2C(F)(F)F)NC(=S)N1c1ccccc1 7621831 RLUDASXXFWABCT-GOSISDBHSA-N 419.472 4.503 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(Nc3cccc(F)c3)s2)c1C 7826292 LAWZTAQMCVQAST-GFCCVEGCSA-N 418.519 4.932 0 40 HJAB COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccn3)c3ccccc3n2)cc1OC 7985644 CYHBEUXBKNUFFF-MRXNPFEDSA-N 413.477 4.805 0 40 HJAB COc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)c(OC)c1C 8277496 JVIMXAGGIQNZJL-LICLKQGHSA-N 402.903 4.866 0 40 HJAB O=S(=O)(NC[C@H](c1ccsc1)N1CCCCCC1)c1ccc2ccccc2c1 8901265 AJRHHSHJRKDMEU-JOCHJYFZSA-N 414.596 4.797 0 40 HJAB CSc1nnc(CCCNC(=O)c2cc3cc(F)ccc3s2)n1C1CCCC1 8922852 SSKWKEZPJRSQHB-UHFFFAOYSA-N 418.563 4.832 0 40 HJAB CCn1c([C@H](NC(=O)c2ccc(OC)c(OC)c2)c2ccccc2)nc2ccccc21 9449569 PYIOWXPMOSVERQ-HSZRJFAPSA-N 415.493 4.593 0 40 HJAB CCc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 12780390 KGOGHFTYNHQZEU-IBGZPJMESA-N 416.521 4.902 0 40 HJAB Cc1ccc(-c2cc(NC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)on2)cc1 12915810 PZPVFPAACJSZCV-UHFFFAOYSA-N 422.444 4.601 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCc1nnc2sc(-c3ccccc3F)nn12 13691708 BIPMYSSISSNZQN-UHFFFAOYSA-N 418.501 4.580 0 40 HJAB Cc1ccc(C2=NN[C@H](c3ccccc3OS(=O)(=O)c3ccc(C)cc3)S2)cc1 15223655 SVSOUQQJMAWLAQ-QFIPXVFZSA-N 424.547 4.768 0 40 HJAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Sc1nc2ccccc2o1 16545273 ODIFZWDELZGVTF-UHFFFAOYSA-N 416.458 4.676 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C1(CCC2)SCCS1 16740201 AODXTURUUIEDGP-UHFFFAOYSA-N 403.525 4.596 0 40 HJAB COc1cccc([C@H](Nc2nc(-c3cccnc3)nc3ccccc23)c2nccn2C)c1 17591162 JNVDWRNYBABBKB-QFIPXVFZSA-N 422.492 4.635 0 40 HJAB COc1ccc(OCc2sc([C@]3(O)CCCN(CC(C)(C)C)CC3)nc2C)cc1 19705277 ZLDZQMCAMRNOQI-QHCPKHFHSA-N 418.603 4.759 0 40 HJAB Cc1nn(CC(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)c(=O)c2ccccc12 21303982 FLYKQQGTGMOZRG-UHFFFAOYSA-N 418.522 4.591 0 40 HJAB CCn1c2ccccc2c2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)nc21 21332481 AUASUINQYBZOMW-UHFFFAOYSA-N 422.901 4.995 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)c2nn(-c3ccccc3)cc2OC)cc1 24393223 CYKAQFOZBBMFJW-OAQYLSRUSA-N 405.498 4.647 0 40 HJAB COc1ccc(OC)c(NC(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1 28305158 MNYAICXABUYARO-UHFFFAOYSA-N 420.391 4.611 0 40 HJAB CCOc1ccc(-c2nc(CSc3nnnn3Cc3cccs3)cs2)cc1 29990702 UXMYQYVABVYADT-UHFFFAOYSA-N 415.569 4.597 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1ccccc1OCc1nc(-c2ccccc2)no1 32578529 MVPQBPRYDIGUNC-UHFFFAOYSA-N 407.376 4.846 0 40 HJAB COc1ccccc1[C@@H](CNC(=O)c1ccc(CSc2ccccc2)o1)N(C)C 32695544 SSFLYQREBULKMS-HXUWFJFHSA-N 410.539 4.613 0 40 HJAB O=C1/C(=C/c2csc(-c3ccccc3)n2)c2ccccc2C(=O)N1Cc1ccccn1 33039472 JDQCPZUMRJWCDJ-HYARGMPZSA-N 423.497 4.928 0 40 HJAB Cc1ccc2c(=O)cc(CSCC(=O)Nc3cccc(Cl)c3C)[nH]c2c1C 33064044 DTZROTOQWNCTMN-UHFFFAOYSA-N 400.931 4.979 0 40 HJAB CCCn1c(=O)c2cc(F)ccc2n2c(SCc3ccc(Cl)cc3)nnc12 33256532 JEWMAMIMMUFDDZ-UHFFFAOYSA-N 402.882 4.539 0 40 HJAB COc1cc(C(=S)N2CCOCC2)cc(Cl)c1OCc1ccccc1Cl 33746697 IIPKFUDNHKVLTJ-UHFFFAOYSA-N 412.338 4.589 0 40 HJAB O=c1c2ccccc2c(-c2nc(-c3cccnc3)no2)cn1-c1cccc(Cl)c1 38487262 UFDFEPIOAJIANQ-UHFFFAOYSA-N 400.825 4.756 0 40 HJAB O=C(c1cccc(N2CCOC2=O)c1)N(CCc1ccccc1)Cc1ccccc1 40128744 NFZSXVYHYMJGBM-UHFFFAOYSA-N 400.478 4.528 0 40 HJAB Cc1ccc(CNC(=O)CSC2=Nc3ccccc3N=C(c3ccccn3)C2)cc1 49421455 KXXWDPBVYHHJFK-UHFFFAOYSA-N 414.534 4.994 0 40 HJAB O=C(Nc1ccc(Cn2cnc(C(=O)Nc3ccccc3)c2)cc1)c1cccc(F)c1 49422248 UYJVJMXSOREPHD-UHFFFAOYSA-N 414.440 4.575 0 40 HJAB O=C(Nc1cc(NC(=O)N2CCO[C@H]3CCCC[C@H]32)ccc1F)C1CCCCC1 58158843 ABISGOLJCRDKNP-UXHICEINSA-N 403.498 4.520 0 40 HJAB COc1cccc(NC(=O)c2ccc3nnc4nc(C)n(Cc5ccccc5)c4c3c2)c1 96146604 CHPMEZKPWJBKKI-UHFFFAOYSA-N 423.476 4.597 0 40 HJAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1nc3ccc(Br)cc3s1)CC2=O 100859959 UIENINQDAPALPQ-QZTJIDSGSA-N 407.333 4.783 0 40 HJAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccc(F)c2)C(=O)N1c1ccc(Cl)cc1 102759872 CGTHHUAWOJLGOO-PCCBWWKXSA-N 422.843 4.530 0 40 HJAB CCN1CCN(c2ccc(NC(=O)C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)c(C)c2)CC1 102873359 MTKJXGQYYGZRHP-UOYQGRGCSA-N 416.009 4.653 0 40 HJAB Cc1ccc(C(=O)N2C[C@@H]3[C@@H](CCC[C@]3(O)c3cccc(C(F)(F)F)c3)C2)s1 105750170 ZETJBZURNMLBCV-NQYLQCIDSA-N 409.473 4.835 0 40 HJAB COc1ccc(S[C@@H](C)C(=O)NCCSCc2ccc(C)cc2)cc1OC 216261497 HJXGXXMBOOFDIT-INIZCTEOSA-N 405.585 4.542 0 40 HJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 222937918 UZVXWXOTODHQBW-NHCUHLMSSA-N 421.522 4.668 0 40 HJAB C[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc2c(c1)CCC2 223206684 SMGJBRSPQZSQBV-LBPRGKRZSA-N 408.723 4.847 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(CC)cc1 224303273 ZRTYROTVNAMPJS-JOCHJYFZSA-N 414.977 4.779 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1Cl 224956555 XDMQMUDCDCHTJM-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 225283697 PWDYQNPMHNKBAZ-HZPDHXFCSA-N 421.368 4.868 0 40 HJAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(Cc2ccc(Cl)cc2F)CC1 225583106 JXFQWAPZPOKLGL-QFIPXVFZSA-N 400.925 4.885 0 40 HJAB CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1NC(=O)C(C)C 225766654 PLDGBBJYMYREEQ-INIZCTEOSA-N 420.600 4.659 0 40 HJAB C[C@H](NC(=S)Nc1nc(N2CCCCCC2)cc(C(F)(F)F)n1)c1ccccc1 225963713 BQXLAZNRCIMZHE-AWEZNQCLSA-N 423.508 4.923 0 40 HJAB O=C(CSc1nc2ccccc2s1)N1CCC(Oc2ccncc2Cl)CC1 390828294 PWWOUCZBXJNVEG-UHFFFAOYSA-N 419.959 4.507 0 40 HJAB CSc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)c1 408560062 ZYXNQRYBDSIMQX-UHFFFAOYSA-N 418.584 4.580 0 40 HJAB COc1ccc(CCCC(=O)Nc2c(C)cc(I)cc2C)cc1 408914978 WKDITASCKMJYRI-UHFFFAOYSA-N 423.294 4.878 0 40 HJAB CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc(Sc2ccc(Cl)cc2)o1 542496937 NWEJWNNTDDBQOQ-UHFFFAOYSA-N 422.915 4.708 0 40 HJAB O=C(Nc1cccnc1)c1ccc(NC(=O)c2cccc3ncccc23)cc1Cl 588829402 WOFZVYSMLAPEEC-UHFFFAOYSA-N 402.841 4.788 0 40 HJAB CC(C)([C@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(F)c(F)c1)N1CCCC1 1127885291 PGIZCSQMQGBIRK-OAQYLSRUSA-N 406.904 4.893 0 40 HJAB O=C(O)Cc1cc(F)c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1F 1536221829 HPRZXVUZYBUTBH-UHFFFAOYSA-N 409.388 4.953 0 40 HJAB CCOc1ccc([C@H]2Oc3ccc(Br)cc3C=C2[N+](=O)[O-])cc1OC 718203 BTRSBKSFEIYBQY-GOSISDBHSA-N 406.232 4.608 0 40 HJAB COc1cc(/C=C2\N=C(c3ccco3)OC2=O)cc(Cl)c1OCc1ccccc1 822861 FIKWOKYFIBIUQH-BOPFTXTBSA-N 409.825 4.865 0 40 HJAB CC(=O)n1cc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)c(-c2ccccc2)n1 824638 BWBZCFYDDAFUAL-HYARGMPZSA-N 407.429 4.708 0 40 HJAB O=C(c1ccc(Br)cc1)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 1364481 BUGUMKUKGWUTBD-CYBMUJFWSA-N 418.316 4.580 0 40 HJAB Clc1ccc(-c2nsc3c(N4CCN(Cc5ccccc5)CC4)ncnc23)cc1 1370821 ZAPIIKSBBZXEIC-UHFFFAOYSA-N 421.957 4.729 0 40 HJAB Cc1cc(NC(=O)CSc2nc(C3CC3)nc3sc4c(c23)CC[C@H](C)C4)no1 1377314 JKVMIJZTPLDEIN-JTQLQIEISA-N 414.556 4.721 0 40 HJAB COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)OC2CCCCC2)cc1 1791359 NMJSZKXFSLCFQP-UHFFFAOYSA-N 408.450 4.723 0 40 HJAB Cc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)NCCc2ccccc2)cc1 1994321 FYDWBSOSKPNXCE-UHFFFAOYSA-N 413.473 4.506 0 40 HJAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccccc1N1CCCCC1 2413634 ROEAURWRNMWDKU-UHFFFAOYSA-N 419.550 4.966 0 40 HJAB CCCCCn1c(N)c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc21 2420022 UOONWDJGQYACFG-UHFFFAOYSA-N 415.541 4.720 0 40 HJAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 2434411 QTTMPSSHKQHDOX-FQEVSTJZSA-N 402.837 4.900 0 40 HJAB O=S(=O)(N1CCC(Cc2ccccc2)CC1)C(F)(F)c1nc2ccccc2s1 3177839 PHBJZPVRZZKSMC-UHFFFAOYSA-N 422.522 4.630 0 40 HJAB CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)CNCCOc2ccccc2F)cc1 3345044 QHXWSVIJVHZRNW-FQEVSTJZSA-N 417.565 4.948 0 40 HJAB O=C(CSc1nnc(Nc2ccccc2F)s1)N[C@@H]1CCCc2ccccc21 3469135 HXECNBJPNQMELB-MRXNPFEDSA-N 414.531 4.707 0 40 HJAB Cn1c(=O)c(C2=NO[C@@H](c3ccccc3)C2)c(OC(=O)c2ccccc2)c2ccccc21 3846520 UXWXAMTYWQBCCX-JOCHJYFZSA-N 424.456 4.623 0 40 HJAB biogenic Cc1ccc(N2CCN(c3ccc(NCc4nc5ccccc5n4C)cc3)CC2)cc1 4649810 CTOZSVYWKWJEJU-UHFFFAOYSA-N 411.553 4.820 0 40 HJAB aggregator CC(C)n1c(C(=O)O[C@@H](C(=O)NC2CCCC2)c2ccccn2)cc2sccc21 4924288 NIVKKIRFJOSJBK-HXUWFJFHSA-N 411.527 4.636 0 40 HJAB O=C(CN1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 5218909 ARYCMISIZKOYJP-WWNPGLIZSA-N 416.924 4.786 0 40 HJAB COc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C2)cc1 5351742 NCWVHMAMNWPEEY-KRWDZBQOSA-N 401.441 4.765 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 5554488 FCYJLGXYMBFNKT-UHFFFAOYSA-N 409.902 4.508 0 40 HJAB CCCCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 5859557 IHCNCCXKUCFUPF-UHFFFAOYSA-N 409.511 4.997 0 40 HJAB CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)NC1=S 6178442 TZFFOARKHPFPJI-MHWRWJLKSA-N 407.322 4.650 0 40 HJAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)/C=C/c1cccc(F)c1 6309843 SVKUAMJERIRBQJ-VMPITWQZSA-N 414.786 4.608 0 40 HJAB O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7399136 ZCDZPCWSBVPYHV-UHFFFAOYSA-N 400.526 4.732 0 40 HJAB CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)Cc1cccs1 7846791 VQYFEWNTHFGACO-LJQANCHMSA-N 413.930 4.804 0 40 HJAB C[C@@H](Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1)C(N)=O 8316185 RZCXLILWVYMZJB-LLVKDONJSA-N 410.886 4.571 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 8961297 XKGRBMPIFBVXKH-UHFFFAOYSA-N 424.478 4.553 0 40 HJAB O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)NCCC1=CCCCC1 9463106 PDHQERIPMHYJDW-UHFFFAOYSA-N 418.872 4.500 0 40 HJAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccccc1Sc1ccc(Cl)cc1 9463903 PIIWWRWCRJIQFF-UHFFFAOYSA-N 421.909 4.840 0 40 HJAB Cc1ccc(-c2cc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)on2)cc1 9481397 RHRNZNQSPFKKPS-SFHVURJKSA-N 423.900 4.794 0 40 HJAB COc1cccc(CN2C(=O)N(c3c(C)cccc3C)S(=O)(=O)c3ccccc32)c1 10273812 HFWDTSBPIHVBEP-UHFFFAOYSA-N 422.506 4.648 0 40 HJAB O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)c1ccc(C2SCCCS2)cc1 10644189 JLZWJTLOBCNKRG-IBGZPJMESA-N 409.580 4.992 0 40 HJAB CCOc1cc(C(=O)Nc2ccc3oc(C)nc3c2)ccc1OCc1ccncc1 12539032 RLVZDEWUXDOQSZ-UHFFFAOYSA-N 403.438 4.761 0 40 HJAB Cc1ccc(-n2c(SCc3cn4c(C)cccc4n3)nnc2-c2ccncc2)cc1 12552140 IZJXNXQUOZICLF-UHFFFAOYSA-N 412.522 4.886 0 40 HJAB Cn1ccnc1[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1 12604008 MAKRSJAUPBMSFT-HXUWFJFHSA-N 422.941 4.645 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12774491 AODMUENIEFXUSV-GJZGRUSLSA-N 421.324 4.638 0 40 HJAB Cc1cc(C)c(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c(C)c1 12870320 WRURHXQRCBQZGH-UHFFFAOYSA-N 409.536 4.750 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2C)cc1 13669781 XZZWOUHXKQOSFT-SFHVURJKSA-N 420.534 4.696 0 40 HJAB COc1ccc2c(=O)c(Oc3ccc(C(=O)Nc4cccnc4)cc3)c(C)oc2c1 13690157 ZMHUOTLJNFOKEO-UHFFFAOYSA-N 402.406 4.550 0 40 HJAB biogenic COc1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc(OC)c1OC 13725570 OYYNVIVJPAWKBM-UHFFFAOYSA-N 418.902 4.671 0 40 HJAB COc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccs2)c1 13750190 AWHSAGVVJKOHMX-UHFFFAOYSA-N 404.491 4.754 0 40 HJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCSc1ccc(Cl)cc1 14595156 JQVUFHPUNABASW-UHFFFAOYSA-N 423.918 4.655 0 40 HJAB CCc1ccc(-c2noc(CCC(=O)Nc3cc(Cl)c(N)c(Cl)c3)n2)cc1 14851362 KQHTVAUWUBIBIO-UHFFFAOYSA-N 405.285 4.759 0 40 HJAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1nc(-c2cc(F)ccc2F)cs1 14899389 GFOQOWFAIRTZJL-ZDUSSCGKSA-N 413.449 4.618 0 40 HJAB Cc1cc(C)c([S@@](=O)Nc2ccc(C)cc2-c2nc3ccccc3[nH]c2=O)c(C)c1 16291390 GHMQLXRMGQKDRZ-PMERELPUSA-N 417.534 4.958 0 40 HJAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1c(F)c(F)c(OC)c(F)c1F 17089801 ZCMOCDGUYUEZQX-SECBINFHSA-N 414.424 4.892 0 40 HJAB CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 18239795 UBRVELPSZCMEHW-XNTDXEJSSA-N 401.466 4.578 0 40 HJAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)c2c(-c3cccnc3)noc2C)n1 19240190 NHHAIJPODBXFGF-MRXNPFEDSA-N 410.524 4.585 0 40 HJAB Cc1ccn(CCC(=O)N2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)n1 19690497 PEETZTBESLLNSZ-UHFFFAOYSA-N 422.960 4.627 0 40 HJAB CCc1ccc(CN2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 20192290 NLHNAFQMEUFEJE-AREMUKBSSA-N 404.598 4.942 0 40 HJAB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccccc2C)n2c1nc1ccccc12 20675878 OHOJNZLHXQFCCK-VXKWHMMOSA-N 419.525 4.650 0 40 HJAB COc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 22503189 PXGHROCTLQJRFF-UHFFFAOYSA-N 401.466 4.932 0 40 HJAB COc1ccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1OC 22508018 KOEDHSCDCFBZQZ-UHFFFAOYSA-N 411.502 4.673 0 40 HJAB CN(Cc1cccc(F)c1)C(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 25760427 JQKFLDNDOLVBND-UHFFFAOYSA-N 409.530 4.641 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccncc1 28419269 MNQSOCYURIGZGI-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccccc1Br 32118585 KXKUKRWLUKUCIO-UHFFFAOYSA-N 420.115 4.588 0 40 HJAB O=C(Nc1nc(-c2ccc(Br)s2)ns1)c1cccc(Cl)c1 32593814 HRNPVQRKVCEOMI-UHFFFAOYSA-N 400.710 4.935 0 40 HJAB O=C(/C=C/c1ccc(Br)s1)Nc1ccc(Oc2cnccn2)cc1 40107171 ZZDUOZCOIWJYHQ-SOFGYWHQSA-N 402.273 4.745 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)Cc1cccc(Cl)c1 40112944 DZKWCUOEJPSWCE-CYBMUJFWSA-N 415.946 4.993 0 40 HJAB CC(C)(C)c1nc(CN2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)cs1 40118640 UFBDPMGNVZBLAT-UHFFFAOYSA-N 424.614 4.589 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1cccc(F)c1 40135345 ZZFNVGLNNXUAMV-GJZGRUSLSA-N 417.912 4.933 0 40 HJAB CCCCOc1ccc(-c2cc(C(=O)Nc3nnc(SCC)s3)no2)cc1 46086755 FOGBZDAAVGEBKR-UHFFFAOYSA-N 404.517 4.736 0 40 HJAB CCn1ncc2c(C(=O)N(Cc3ccccn3)C(C)C)cc(-c3cccs3)nc21 48276701 ALZDBAKXBHKLDI-UHFFFAOYSA-N 405.527 4.626 0 40 HJAB Cc1cc(F)ccc1NC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C 57426068 CAHMMXMVZGVMCY-UHFFFAOYSA-N 419.547 4.682 0 40 HJAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(CN2CCSCC2)c1 58135589 ARULHDSISHNHLX-UHFFFAOYSA-N 415.609 4.981 0 40 HJAB CC(C)[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1nc2ccccc2[nH]1 68785518 KYBKPYPWDONTIU-UGSOOPFHSA-N 416.319 4.606 0 40 HJAB FC(F)(F)c1cccc(N2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)c1 69150473 KJYBLTSGEQQCGA-UHFFFAOYSA-N 412.839 4.548 0 40 HJAB CCOc1cc(C(=O)OC)cc(NC(=S)Nc2cc(F)ccc2C)c1OCC 71761587 KKBZVRINRNALKH-UHFFFAOYSA-N 406.479 4.527 0 40 HJAB O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1cnc2ccccc2n1 72272644 ZDNCYTUKSSGMHV-UHFFFAOYSA-N 411.284 4.768 0 40 HJAB CCOc1ccc(-c2cc3c(=O)n(Cc4ccccc4Cl)ccn3n2)cc1Cl 72329620 WTMGTPZVWGZMFF-UHFFFAOYSA-N 414.292 4.917 0 40 HJAB COc1ccccc1Cc1cccc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 72349615 DDHMESDISIOVKE-NRFANRHFSA-N 418.512 4.769 0 40 HJAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN2C(=O)C2CCCCC2)n1 72354678 MSTMQIKJPDKISQ-SFHVURJKSA-N 418.463 4.988 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H](c3nccnc3-c3cccc(Cl)c3)C2)cc1 72358915 BZUAPKBZFVSVBF-IBGZPJMESA-N 421.928 4.754 0 40 HJAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@]4(C)CCCO4)C3)c(-c3ccncc3)c2c1 72396831 WYHUDCOQGHECKK-DFBJGRDBSA-N 403.526 4.813 0 40 HJAB COc1ccc(Sc2nsc(NC(=O)c3cc(-c4ccc(C)cc4)on3)n2)cc1 80345355 IYQAJUHHHVRDLK-UHFFFAOYSA-N 424.507 4.914 0 40 HJAB Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C2=O)c(C)c1 101029048 GGXVKOKJHJWILE-NNWRFLSQSA-N 418.518 4.724 0 40 HJAB CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 102736291 XMMKDNVRLXROGB-HAFPXEGZSA-N 410.489 4.721 0 40 HJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2OC)CC1 216235974 GQOCKSMESXWBEV-FQEVSTJZSA-N 404.963 4.568 0 40 HJAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)n1 220792876 PICSJBKBZQELFM-GOSISDBHSA-N 412.493 4.688 0 40 HJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4cccnc4)c3C)N21 222674669 DZBPUGZUUOGGIB-WWPVKYPJSA-N 417.582 4.923 0 40 HJAB CN(c1ccc(Cl)c(C(=O)NC2CCCCCC2)c1)S(=O)(=O)c1ccccc1 224333129 USKWUSYVVNFFJL-UHFFFAOYSA-N 420.962 4.618 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)C 225495822 NIBXOUHSUOCQDW-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 225718260 ABXFRDBSQYOJJZ-QFIPXVFZSA-N 412.599 4.560 0 40 HJAB Cc1cc(Br)c2[nH]c(-c3ccc(I)cc3)nc2c1 226343226 UYANCTANTGDLAN-UHFFFAOYSA-N 413.056 4.905 0 40 HJAB CCc1ccc(-n2c(SCC(=O)N3CCCCCC3)nnc2-c2ccccc2)cc1 409202628 SGMFVFMOTRMUCC-UHFFFAOYSA-N 420.582 4.991 0 40 HJAB O=C(CC1(N2Cc3ccccc3C2=O)CCSCC1)Nc1ccc(F)c(Cl)c1 1565524405 GPTVARJOXDRHFJ-UHFFFAOYSA-N 418.921 4.730 0 40 HJAB CCOc1ccc2nc(NC(=O)c3cccc(I)c3)sc2c1 652772 UWFLSNLQAUNTEC-UHFFFAOYSA-N 424.263 4.552 0 40 HJAB Cc1ccc(O)c(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@@H]3C(F)(F)F)c1 866500 KCTYINFBWPAEHI-CZUORRHYSA-N 422.432 4.871 0 40 HJAB COc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)c2ccc(OC)cc2)cc1 907981 USPFOHCGUKVKIU-UHFFFAOYSA-N 415.445 4.657 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1Cc1ccco1 2417279 QCTACVLJWYKVNI-IBGZPJMESA-N 409.800 4.924 0 40 HJAB COc1ccc(-n2c(S[C@H]3CCCCC3=O)nnc2-c2cccc(OC)c2)cc1 2616701 OCCUODMNIUUNFW-FQEVSTJZSA-N 409.511 4.555 0 40 HJAB COc1ccccc1-n1c(SCc2ccccc2Cl)nc2c(c1=O)SCC2 2719851 LXZOJZZOIUOMOT-UHFFFAOYSA-N 416.955 4.835 0 40 HJAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 3216467 KSGGLMIRCGVSTF-UHFFFAOYSA-N 401.462 4.638 0 40 HJAB COc1ccccc1CNC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 3219196 QCGZQFBECOZLAM-UHFFFAOYSA-N 411.542 4.763 0 40 HJAB CN(C(=O)c1cc(=O)c2ccccc2o1)[C@]1(c2ccccc2Cl)CCCCC1=O 3229857 ULIVATPEBVWDDD-QHCPKHFHSA-N 409.869 4.557 0 40 HJAB CCCCCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)Cc2ccccc2)cc1 4309850 FKBBELITKNJLTG-QFIPXVFZSA-N 418.459 4.958 0 40 HJAB O=C(CCSc1ccc(F)cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 4496830 DGZIOVCYPQWVTG-UHFFFAOYSA-N 402.472 4.799 0 40 HJAB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 4514832 RTCLCTZDAZPLDH-AAWPKVBNSA-N 407.875 4.506 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1NC(=O)c2c(sc3c2CC[C@@H](C)C3)N1 4543289 MCBSQBXFUYHANF-NSPYISDASA-N 412.946 4.875 0 40 HJAB CC(C)c1ccc(C2=N/C(=C\c3cc4c(cc3Br)OCO4)C(=O)O2)cc1 4657361 ZVGCDMHIOGLRGL-APSNUPSMSA-N 414.255 4.646 0 40 HJAB COc1ccc(CNCC[C@@]2(Cc3ccccc3)C[C@H](C)N(C)C[C@H]2C)cc1OC 4751975 FYBSRGAMRKRJQM-SWYRRKHMSA-N 410.602 4.773 0 40 HJAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 5359851 MGHYGEHCCZFUHS-UHFFFAOYSA-N 421.570 4.605 0 40 HJAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(I)cc1 5380132 GAKWAYFXHXXSAL-UHFFFAOYSA-N 409.267 4.606 0 40 HJAB O=C(CSc1nncn1-c1ccccc1F)Nc1ccccc1Cc1ccccc1 6129104 CUYGJJKIWLPPPD-UHFFFAOYSA-N 418.497 4.728 0 40 HJAB Cc1cc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)no1 6875741 YCGDUUJJIKNHJN-PMACEKPBSA-N 409.511 4.620 0 40 HJAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccc(Cl)cc1Cl 7798922 YLKXNFLNSPHJCP-UHFFFAOYSA-N 404.282 4.544 0 40 HJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cn2nnc3ccccc32)cc1 8159805 IZXAQYHVLVQWEF-UHFFFAOYSA-N 411.509 4.722 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 8314190 IDPCCKQDLIQGNE-SOUVJXGZSA-N 402.539 4.689 0 40 HJAB COc1cc(CNCc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1Cl 8472168 HMMULPCCJDQLHR-UHFFFAOYSA-N 411.885 4.916 0 40 HJAB Cc1ccc(CSc2nnc(-c3ccc(I)cc3)o2)cc1 9200198 NQWZZMGLFXUTNT-UHFFFAOYSA-N 408.264 4.942 0 40 HJAB Cc1cc2cc(CCNC(=S)Nc3ccc(Cl)c(Cl)c3)c(=O)[nH]c2cc1C 9345181 FSQWCXYWBVQZHD-UHFFFAOYSA-N 420.365 4.981 0 40 HJAB CN(C)c1nc(Nc2ccc(SC(F)F)cc2)c2cnn(-c3ccccc3)c2n1 9648324 KKFYRAYAWNYYAE-UHFFFAOYSA-N 412.469 4.940 0 40 HJAB CC(C)[C@@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 9711287 RVEVUVDHQUNMIY-LJQANCHMSA-N 408.420 4.673 0 40 HJAB C[C@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)Nc1ncccn1 11329256 MIKUHBGBBLNIHN-AWEZNQCLSA-N 423.929 4.647 0 40 HJAB CCCc1ccc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)s1 12242162 NUBKBPPGYFIWFG-LJQANCHMSA-N 406.555 4.996 0 40 HJAB COC(=O)c1ccc(Oc2nc(CN3CCCCC3)nc3sc(C)c(C)c23)cc1 12771696 XIXKQOVFESFCES-UHFFFAOYSA-N 411.527 4.873 0 40 HJAB COc1cc(NC(=O)c2cccnc2Sc2ccc(C)cc2)cc(OC)c1OC 12773348 ZLWBHYRZUHIBRH-UHFFFAOYSA-N 410.495 4.819 0 40 HJAB C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N1CCC(c2nc3ccccc3s2)CC1 12821367 AQIDDXSIBILVJX-CVEARBPZSA-N 411.546 4.881 0 40 HJAB COc1ccc2cc([C@@H](C)C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)ccc2c1 12977998 VEZHRUWBVUOYGM-LJQANCHMSA-N 418.537 4.974 0 40 HJAB O=C(Nc1nc([C@H]2COc3ccccc3O2)cs1)c1cccc(Br)c1 13732469 YXANNZVGRSUXCA-MRXNPFEDSA-N 417.284 4.670 0 40 HJAB Cc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 19286760 KVECPLFORZMVSL-PKOBYXMFSA-N 407.514 4.567 0 40 HJAB C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)c1ccc(C(C)(C)C)cc1 20111035 FFFWTPQIGULVPE-CYBMUJFWSA-N 408.951 4.500 0 40 HJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(Br)cc1 20144192 SOAQCGFSAPIQQU-UHFFFAOYSA-N 416.271 4.527 0 40 HJAB C[C@@H]1CN(CCOc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)C[C@@H](C)O1 20591290 MOMCYAXYJWYDSO-HZPDHXFCSA-N 413.901 4.601 0 40 HJAB O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1 27909397 NSKSTTCISBMVHU-QFIPXVFZSA-N 401.466 4.544 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)c1 28206859 ZPGRFRXOGDMVCP-SFHVURJKSA-N 420.534 4.696 0 40 HJAB CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(C(=O)c2ccc(C)c(F)c2)CC1 29794839 DVXFIRGPMSJPOH-OAQYLSRUSA-N 415.480 4.862 0 40 HJAB COCCn1c(Sc2nc(C(F)(F)F)nc3ccccc23)nc2ccccc21 32735899 YRQFZLOJPYSOOO-UHFFFAOYSA-N 404.417 4.796 0 40 HJAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)ccc1O 36356835 RQYCOOXFAGCBHZ-CQSZACIVSA-N 403.360 4.729 0 40 HJAB Cc1cc(C)c(C)c(SCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)c1C 39577194 COZKOPWAYCXQCL-LJQANCHMSA-N 419.612 4.673 0 40 HJAB O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1cccc(C(F)(F)F)c1 40074779 TVLGREVKQGCTDY-UHFFFAOYSA-N 404.344 4.568 0 40 HJAB CCOC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1 44088096 QMYJNSIJEYGKSP-UHFFFAOYSA-N 404.438 4.796 0 40 HJAB O=C(O)CN(Cc1ccc(F)cc1)C(=O)OCC1c2ccccc2-c2ccccc21 44831636 MZHRUDSAOCPRKF-UHFFFAOYSA-N 405.425 4.661 0 40 HJAB CN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)C1CCCCC1 44949687 SMMNRAZPHSKUJA-UHFFFAOYSA-N 406.935 4.546 0 40 HJAB Cc1cc([C@H](C)NC(=O)Nc2ccc(N3CCCN(C)CC3)c(F)c2)c(C)s1 46600867 FWVAOBRRUNTAPU-HNNXBMFYSA-N 404.555 4.529 0 40 HJAB O=C(c1ccccc1C(F)(F)F)N1CCC(Oc2nc3ccccc3s2)CC1 49430891 IRBWZLRNWFTCKN-UHFFFAOYSA-N 406.429 4.999 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)cc1Cl 51364624 BADSBDCLJYZMKO-UHFFFAOYSA-N 415.946 4.745 0 40 HJAB COCCOc1ccc(NC(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)cn1 58140082 ZFOWIWOAYMGIGY-UHFFFAOYSA-N 415.877 4.684 0 40 HJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccnc(Sc2ccccn2)c1 58163055 HTNWDBNEYWYWGB-UHFFFAOYSA-N 402.479 4.772 0 40 HJAB CCn1nc(C)c2nc(SCc3ccccc3F)n(CCc3ccccc3)c(=O)c21 64817105 LUWCDBNCJXCVFA-UHFFFAOYSA-N 422.529 4.595 0 40 HJAB Cc1ccc(C)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)c1 67292810 DTMSPGMMHASTPN-FRXIXPCJSA-N 410.901 4.844 0 40 HJAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 67321506 GCOOIAVCDYKMJO-SQJMNOBHSA-N 414.461 4.709 0 40 HJAB Cn1ccnc1SCc1cccc(C(=O)N[C@H]2CCC[C@@H]2OCc2ccccc2)c1 89761485 PDKXAWYBSXPKNE-VXKWHMMOSA-N 421.566 4.580 0 40 HJAB COc1ccc(-n2cnc3c2[C@H](c2ccc(O)c(Cl)c2)SCC(O)=N3)cc1 95475744 WYSYDNBVXXNMPQ-SFHVURJKSA-N 401.875 4.664 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)Nc4cccc(Cl)c4C)c3)C(=O)[C@@H]12 206659664 RARYLXFQLYSEGB-IAECCPNBSA-N 420.896 4.602 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219321696 QJLYUZJILYEYCE-QZTJIDSGSA-N 403.906 4.925 0 40 HJAB CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc4ccccc34)c2)CC1 219993746 JMQABVTXSPRXKM-UHFFFAOYSA-N 408.523 4.513 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 222967252 WIZJOQOGBNPKAK-GOSISDBHSA-N 412.549 4.609 0 40 HJAB CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 223493285 VNTMTWWUNOGCPS-VWLOTQADSA-N 418.512 4.665 0 40 HJAB COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1COc1ccccc1C 224102441 SXNICQUXQHCKQL-UHFFFAOYSA-N 416.521 4.545 0 40 HJAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)cc1 224195882 AQJPSNFEYIJZOT-UHFFFAOYSA-N 419.477 4.930 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C 224198531 WWAHPJZVSQCGJY-QHCPKHFHSA-N 422.569 4.548 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224201171 VJVRJJAMGQRWIB-OAQYLSRUSA-N 408.586 4.680 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 224277790 IIYGDRQAMUPWQC-INIZCTEOSA-N 421.368 4.725 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 224480382 BDEWKHFNOWYMKV-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB CCCC[C@@H](CC)CNC(=O)CCCN(c1ccccc1C(C)C)S(C)(=O)=O 224838921 SIRBQVOIKBXRPP-LJQANCHMSA-N 410.624 4.689 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 225129040 VFRBOMPUEVPJQK-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225806314 QJXOYQMDYFMRQU-ZDUSSCGKSA-N 401.388 4.666 0 40 HJAB O=C(COc1cccc(F)c1)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257275333 NOWRPMUBBVUZBB-FQEVSTJZSA-N 414.864 4.800 0 40 HJAB Cc1nn(CCNC(=O)c2csc(-c3ccccc3)n2)c(C)c1-c1ccsc1 575616113 WSGHBZVVGJSEHS-UHFFFAOYSA-N 408.552 4.782 0 40 HJAB CCCn1c(SCc2nc(-c3cccc(C)c3)no2)nc2ccc(F)cc2c1=O 669560087 GAKQBEVQDKUFKX-UHFFFAOYSA-N 410.474 4.596 0 40 HJAB CCc1ccc(OCC(=O)Nc2ccc(NC(=O)COc3cccc(C)c3)cc2)cc1 1083102892 UGQJAMAYZSLHCN-UHFFFAOYSA-N 418.493 4.592 0 40 HJAB COc1ccc(N[C@H]2CSC3(C2)CN(C(=O)Nc2ccccc2SC)C3)cc1 2056224003 MQOLPSAYBQDFEZ-MRXNPFEDSA-N 415.584 4.621 0 40 HJAB O=C(Nc1ccc(F)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 894121 MURXDPPFACKHBU-QHCPKHFHSA-N 406.482 4.852 0 40 HJAB Cc1[nH]c2c(C)cccc2c1CCNS(=O)(=O)c1ccc(Cl)c(C)c1Cl 1074469 KIIJZTIRYGJPHP-UHFFFAOYSA-N 411.354 4.921 0 40 HJAB Cc1ccc(C)c(NC(=S)N2CCN(c3nc(-c4ccccc4)cs3)CC2)c1 1349578 USDSFDZNRDFNJW-UHFFFAOYSA-N 408.596 4.946 0 40 HJAB Cc1ccc(O)c(C(=O)CSc2nnc(Nc3ccccc3)n2-c2ccccc2)c1 1428337 YCAWYULATSGHDE-UHFFFAOYSA-N 416.506 5.000 0 40 HJAB Cc1ccc(/C=C/C(=O)Oc2c(Br)cc(Br)cc2C=O)o1 1440093 AKHOTZKFZLMNAP-SNAWJCMRSA-N 414.049 4.544 0 40 HJAB CCOC(=O)[C@@H]1C(c2cccs2)=CS[C@H]1NC(=O)CSc1ccc(C)cc1 1465494 XPDNGMJBUVLLSK-RTBURBONSA-N 419.593 4.558 0 40 HJAB COc1ccc([C@@H]2C=C(c3ccccc3)NC(=S)N2)cc1OCc1ccccc1 1480302 UBSAWHKFOQGZGF-NRFANRHFSA-N 402.519 4.834 0 40 HJAB CCOc1cc(Br)c(/C=C2\N=C(c3ccccc3)OC2=O)cc1OCC 2104052 CUSYCPPIVHEFPF-YBEGLDIGSA-N 416.271 4.591 0 40 HJAB CC(=O)Cc1nsc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)oc2C)n1 2411903 GNPXTPXDMJVEBT-UHFFFAOYSA-N 410.282 4.797 0 40 HJAB C[C@H](NC(=O)COC(=O)c1ccccc1OCc1ccccc1Cl)c1ccccc1 2617121 QUMMFUOJFUDAIU-KRWDZBQOSA-N 423.896 4.953 0 40 HJAB CCOc1ccc(-n2c(SCc3ccc(F)cc3)nc3c(c2=O)SCC3)cc1 2719911 RCZKUBIPJOFXEP-UHFFFAOYSA-N 414.527 4.711 0 40 HJAB Cc1cc(O)c(C(C)C)cc1NC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1 2792747 USYKNIJZRPSBLV-UHFFFAOYSA-N 410.371 4.994 0 40 HJAB COc1cc(-c2nnc(-c3ccc(OC(F)F)c(OC)c3)o2)ccc1OC(F)F 2803514 KLPVXMPLXQKVGW-UHFFFAOYSA-N 414.311 4.624 0 40 HJAB O=C(NCc1cccc(Cl)c1)c1cccc(-n2c(=S)[nH]c3ccccc3c2=O)c1 2973938 SUQGXKVEBWCBNL-UHFFFAOYSA-N 421.909 4.632 0 40 HJAB CC(C)(C)N[C@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 3195641 FSOPIZNZNBUECL-LEWJYISDSA-N 414.958 4.956 0 40 HJAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(OC(F)F)cc1 3269892 JMPYFOZQQBMJCH-KRXBUXKQSA-N 416.207 4.790 0 40 HJAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1c(F)cccc1F)c1ccccc1 3390653 XZROOBYNMFQOMP-NRFANRHFSA-N 411.404 4.900 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)n2C(C)C)cc1 3587445 CGWADCOPMBSDNQ-JTDSTZFVSA-N 416.591 4.568 0 40 HJAB O=c1c2ccccc2n2c(-c3cccc(Cl)c3)nnc2n1CCc1ccccc1 4335276 GNKXHXKTZQAERZ-UHFFFAOYSA-N 400.869 4.607 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)c1oc2ccccc2c1NC(=O)[C@H]1CCCO1 4342015 DFSXJFMJDWHDIL-MRXNPFEDSA-N 402.809 4.595 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)c1C 4547403 YJPLKPMIADZFLV-UHFFFAOYSA-N 418.493 4.691 0 40 HJAB COc1cc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc(OC)c1OC 4838636 OPVDPACQJAFYDD-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)o2)c(Br)c1 6462911 BQGDBHGAFDGOFQ-UHFFFAOYSA-N 410.318 4.600 0 40 HJAB COCCCNC(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3c(C)c2oc1=O 6623909 PTHXIRHPXBOOSQ-UHFFFAOYSA-N 419.477 4.518 0 40 HJAB biogenic CCCN1C(=O)S/C(=C/c2cc(OCC)c(OCC)cc2Br)C1=O 6655802 UKZUCUHWJLJASG-OQLLNIDSSA-N 414.321 4.693 0 40 HJAB Cc1nnc2c(N[C@H](C)c3ccccc3)nc3ccc(C(=O)c4ccccc4)cc3n12 6792535 LWANCFNSUMVISE-MRXNPFEDSA-N 407.477 4.990 0 40 HJAB O=C(Nc1nc2c(s1)CCCC2)c1cn(-c2ccccc2)nc1-c1cccnc1 6967148 KVJJVSCUYSRUHZ-UHFFFAOYSA-N 401.495 4.522 0 40 HJAB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccn2-c2ccc(F)cc2)C1=O 6971822 OZNFJALNNSZVFC-UDWIEESQSA-N 403.438 4.725 0 40 HJAB COc1ccc(-c2noc(CN(C(=O)Nc3ccccc3C)C(C)C)n2)cc1OC 7781902 WADHRZPAHDNROV-UHFFFAOYSA-N 410.474 4.505 0 40 HJAB COc1cc(CN(C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)ccc1OCc1ccccc1 9641926 NAJKVVRTXGRILB-UHFFFAOYSA-N 420.509 4.694 0 40 HJAB CCn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 9665472 VLZXLDXJVSFITG-UHFFFAOYSA-N 421.353 4.680 0 40 HJAB O=C(Nc1ccccc1)C1CCN(C(=O)CCSc2ccccc2Cl)CC1 10445829 RJQIZBAHEJVPOD-UHFFFAOYSA-N 402.947 4.700 0 40 HJAB Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](c2cccs2)C(C)C)cc1Cl 10601032 IONNQDQYASJLSZ-GOSISDBHSA-N 420.991 4.896 0 40 HJAB CCOc1ccc(CN(Cc2ccncc2)C2CC(C)(C)NC(C)(C)C2)cc1OC 12118219 PZGCNBHLHAWIFT-UHFFFAOYSA-N 411.590 4.800 0 40 HJAB O=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CC=C(c2ccccc2)CC1 12506302 YVMMXMJOOXXVOJ-UHFFFAOYSA-N 409.489 4.843 0 40 HJAB CCCOc1c(Cl)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1OC 12821269 NLDHGDMUYCSDJI-UHFFFAOYSA-N 416.949 4.532 0 40 HJAB CC[C@@H](Sc1nnc([C@H](C)Oc2ccc(F)cc2)o1)C(=O)Nc1ccc(F)cc1 12851169 AQUUYFMLDXDEDK-YVEFUNNKSA-N 419.453 4.997 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1csc(-c2ccccc2)n1 12979292 TYOSTCZADXMWKJ-UHFFFAOYSA-N 424.522 4.912 0 40 HJAB O=C1C[C@H](c2ccco2)Cc2nc3nc(SCc4ccccc4Cl)nn3cc21 13634337 ZGIHUSATOREKHM-CYBMUJFWSA-N 410.886 4.576 0 40 HJAB CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 13757643 XMMKDNVRLXROGB-XXMUNEJQSA-N 410.489 4.721 0 40 HJAB CCOc1ccc(CN(C)C(=O)c2oc3ccccc3c2CSc2ncn[nH]2)cc1 14188592 NCDUQJRJQIJBHE-UHFFFAOYSA-N 422.510 4.514 0 40 HJAB CCN(CC(=O)NCc1cccs1)c1nc(-c2cccs2)nc2ccccc12 14233093 DTWSENAUJIVRJW-UHFFFAOYSA-N 408.552 4.563 0 40 HJAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 14238962 CHIAWQCXWCHXLH-UHFFFAOYSA-N 403.519 4.513 0 40 HJAB O=C(CN(Cc1ccco1)C(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1 16182892 QENNEGHSWIOHSW-UHFFFAOYSA-N 403.265 4.868 0 40 HJAB O=c1c2cnc(N3CCc4ccccc4C3)nc2ccn1-c1ccc(Cl)cc1Cl 19959059 QTKXORBIRZKMBG-UHFFFAOYSA-N 423.303 4.650 0 40 HJAB CC[C@@H](NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(C)cc1 20039774 HCJFJOVIPDCOOA-HXUWFJFHSA-N 422.550 4.705 0 40 HJAB COc1ccc(S[C@@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 20040290 UMELCFFGDJNOKH-HNNXBMFYSA-N 424.488 4.543 0 40 HJAB CC(=O)Nc1sc2c(c1[C@H](c1ccc(Cl)cc1)N1CCOCC1)CCCC2 20192253 QIAZOMBRXDRAMB-FQEVSTJZSA-N 404.963 4.660 0 40 HJAB COc1ccc(OC[C@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 20456274 DHFHGUJDYUQNIQ-ZDUSSCGKSA-N 414.354 4.819 0 40 HJAB Cc1cc(C)c(OCC(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c(Cl)c1 20609912 VPGXEWJTTMOXTG-UHFFFAOYSA-N 406.873 4.708 0 40 HJAB COc1ccc(CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1OC 21790215 AFSPCGRDWQKZAX-UHFFFAOYSA-N 406.507 4.693 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccccc3C)n2)cc1 21792109 CJBVOWVLYGIVMZ-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 25897086 UTLHKNODJQDGBS-IRLDBZIGSA-N 420.559 4.725 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2CC(C)C)c(F)c1 32579570 RJQURGGXBQDOCB-UHFFFAOYSA-N 412.534 4.703 0 40 HJAB C[C@H](NC(=O)COc1ccccc1Cl)c1cccc(NC(=O)c2ccccc2)c1 32925165 IIHYUPSOBVPUEB-INIZCTEOSA-N 408.885 4.849 0 40 HJAB C[C@@H]1CCCN(C(=O)COc2ccccc2-c2noc(-c3ccc(Cl)cc3)n2)C1 33325247 ZDMWQPXBPWQBHU-OAHLLOKOSA-N 411.889 4.694 0 40 HJAB Cc1occc1-c1nnc(S[C@@H](C(=O)NC(C)(C)C)C(C)C)n1-c1ccccc1 43276324 MRPIDLQKBUWDNF-GOSISDBHSA-N 412.559 4.867 0 40 HJAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C)cc1Cl 46418950 BEFJWKUSDBXFPD-QGZVFWFLSA-N 407.297 4.554 0 40 HJAB COc1cccc(OC)c1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 57317047 YGTVPBUKLYBKSJ-UHFFFAOYSA-N 416.271 4.656 0 40 HJAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 58434665 ZDMCHGBQXPSEAK-RDPSFJRHSA-N 421.585 4.548 0 40 HJAB CCC(CC)C(=O)N1CCC[C@@H](c2nc(N3CCCCC3)ncc2-c2cccnc2)C1 72338421 RZTOBONDYLUSQP-OAQYLSRUSA-N 421.589 4.671 0 40 HJAB Clc1ccc2[nH]c([C@H]3CCCN3c3nc(-c4ccncc4)nc4c3CCC4)nc2c1 79061767 HDYRJUVNFVRXED-HXUWFJFHSA-N 416.916 4.899 0 40 HJAB Cc1nc2c(cc(OCC(=O)N3CCC[C@@H](C(F)(F)F)C3)c3ccsc32)s1 84287020 XAXZHUGYVVHWRK-LLVKDONJSA-N 414.474 4.999 0 40 HJAB CCSCC[C@H](C)N(C)C(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O 89275251 DKSUAYKXPKMLLT-SFHVURJKSA-N 408.567 4.654 0 40 HJAB c1ccc(COc2ccc(CN3CC(c4nc(-c5ccsc5)no4)C3)cc2)cc1 90567306 HHJZQIKIYRVZKM-UHFFFAOYSA-N 403.507 4.977 0 40 HJAB Cn1cnc2c(-c3cccnc3)nc(C3CCN(Cc4ccc(F)cc4)CC3)cc21 96099948 PWGWEMPCBFPNBG-UHFFFAOYSA-N 401.489 4.549 0 40 HJAB C[C@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104087351 SOKJOAKLMZJTCX-LLYLOPHFSA-N 408.542 4.533 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219612399 JZMNLSPJLZYBMM-RBUKOAKNSA-N 403.906 4.925 0 40 HJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 222863641 ISUDVXBFVMPYIU-UXHICEINSA-N 419.579 4.865 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1Cc1ccco1 223331732 RSNGPVPCMOMIAG-HOTGVXAUSA-N 420.357 4.671 0 40 HJAB Cc1ccc(C)c(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 224052314 DHJOJVWPVPBQGG-UHFFFAOYSA-N 418.940 4.503 0 40 HJAB Cc1ccc(OCCCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)cc1 224162745 DQDAXFHTWRNXOI-JOCHJYFZSA-N 424.585 4.652 0 40 HJAB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1)c1ccccc1 224199129 RYMWFGZVLHPAJJ-QFIPXVFZSA-N 422.550 4.701 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 224267339 DGUQNDWENLALPK-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 225094937 SQGFOKQBDKHKTC-PMACEKPBSA-N 412.599 4.560 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 225226806 IEVHRYIAOOXRLI-NRFANRHFSA-N 400.950 4.606 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 225374477 HYUYHWOPEXOAJM-RUZDIDTESA-N 420.597 4.836 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(Oc2nc3ccccc3o2)CC1 225680270 LMMYJYMBGFFOMV-UHFFFAOYSA-N 414.889 4.709 0 40 HJAB CCC(=O)N1CCC(Cc2ccccc2-c2ccccc2C)(C(=O)NC(C)C)CC1 257314378 UWRIQDCPLDCFCF-UHFFFAOYSA-N 406.570 4.748 0 40 HJAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C)c(Cl)c3)C(=O)[C@@H]2C1 408687685 VGQDXOCMRYJHIH-FUHWJXTLSA-N 408.885 4.746 0 40 HJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)CCCc3ccccc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409108632 XUPYUGIJLWHZTA-LZJOCLMNSA-N 410.480 4.921 0 40 HJAB Cc1ncc(CN2CC[C@]23CCCN(C(=O)c2cc(C(C)(C)C)oc2C)C3)s1 585101779 FWUVXALBBFDCBU-QFIPXVFZSA-N 401.576 4.531 0 40 HJAB COc1ccccc1CN1CCOCCOc2ccc(F)cc2Cc2cccc(c2)C1 643563341 REWAHGFSGHZCPN-UHFFFAOYSA-N 421.512 4.836 0 40 HJAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1 1630923372 RRTFBOSHOAMGLU-UHFFFAOYSA-N 416.428 4.977 0 40 HJAB Cc1ccc(C)c(OC[C@]2(O)COCCN([C@H]3CC[C@H](C(C)(C)C)CC3)C2)c1C 2037949791 PYRHOFQWMUQIGO-TZBSWOFLSA-N 403.607 4.659 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)N2CCCCC2)cc1 658342 SDDQLVQPVSCDHW-UHFFFAOYSA-N 407.297 4.637 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccncc1 796355 GNIBUCJGAFZFNI-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)o2)cc1 867618 KJISDJXVPCVGCI-UHFFFAOYSA-N 421.478 4.725 0 40 HJAB O=C(Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2)c1ccccc1F 1443535 NFMWLCHZDQVISY-UHFFFAOYSA-N 411.816 4.734 0 40 HJAB CCc1ccc(OCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 2369661 MIWNNEVGCFAIFC-UHFFFAOYSA-N 400.478 4.714 0 40 HJAB CSc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2407277 DRXFIQWANYJXMJ-HXUWFJFHSA-N 421.449 4.992 0 40 HJAB CCN(CC)CCCNc1oc(COc2ccc(-c3ccccc3)cc2)nc1C#N 2440622 DFLMKUPHQCDEHZ-UHFFFAOYSA-N 404.514 4.936 0 40 HJAB CCOc1ccc(NC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)cc1 2725334 WJYZSWMXWAVFBZ-QGZVFWFLSA-N 402.756 4.548 0 40 HJAB O=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccc(F)cc1 3235421 URRIRPULKIRWEB-UHFFFAOYSA-N 408.483 4.526 0 40 HJAB aggregator O=C(CCCCCCCCCCCNC(=O)c1ccccc1)Nc1nncs1 4113851 ILFVLELRTCHXKO-UHFFFAOYSA-N 402.564 4.808 0 40 HJAB CC[C@@H](C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 4240797 IKBCFGDPZMYFSH-UYAOXDASSA-N 414.571 4.548 0 40 HJAB CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc(OC)cc3)=NN12 5297225 FVUDWXFPJSLCRJ-HSZRJFAPSA-N 405.542 4.749 0 40 HJAB O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2ccc(O)cc2oc1=O 6006857 WWGRENIEFJNRSX-UHFFFAOYSA-N 422.506 4.675 0 40 HJAB COc1ccc(CN(C)CC(=O)Nc2ccccc2Oc2ccccc2)c(OC)c1 6589039 VNRKETHAAWIXIE-UHFFFAOYSA-N 406.482 4.567 0 40 HJAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)Nc1ncnc2scc(-c3ccccc3)c12 6927883 KLNYPDHOFXKIRH-IBGZPJMESA-N 414.490 4.947 0 40 HJAB CCOc1ccc(C[C@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCC)c1 6961762 MVHZTGPHDMFPLD-GOSISDBHSA-N 405.903 4.949 0 40 HJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N[C@H]3CCOc4ccccc43)c2n1 6980078 UZVANJQLOCCHRD-KRWDZBQOSA-N 417.292 4.869 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)c1 7605033 JYDRXCMCHGRDMC-UHFFFAOYSA-N 417.918 4.958 0 40 HJAB CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(OC)c(O)c(OC)c2)cc1 7884506 DVLCUMHLHXHJML-HSZRJFAPSA-N 404.466 4.743 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H]3CCOc4ccccc43)cc12 7964723 VWJMUBGQMAGHCB-SFHVURJKSA-N 407.470 4.788 0 40 HJAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)NC12CC3CC(CC(C3)C1)C2 8206398 ODOAAMYDFQDVPE-UHFFFAOYSA-N 413.370 4.575 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 8320016 RLACLIWKHUIESZ-LJQANCHMSA-N 400.906 4.949 0 40 HJAB C[C@H](NC(=O)CNc1ccccc1C(=O)NCc1ccccc1)c1ccc(Cl)cc1 8707387 MJJVHOABGFGGHI-KRWDZBQOSA-N 421.928 4.559 0 40 HJAB CC(C)Cn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1ccco1 8987993 YSYSAWAYRKVSEY-LSDHHAIUSA-N 416.522 4.691 0 40 HJAB COc1cccc(CNC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)c1 9963995 XEHUZSCTKSXXFX-UHFFFAOYSA-N 421.547 4.775 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCCc1nc2ccccc2s1 11083517 PQMYONLEHHQSTF-UHFFFAOYSA-N 404.539 4.522 0 40 HJAB COc1ccc(-n2nnc3c(SCc4ccc(Cl)c(Cl)c4)ncnc32)cc1 11758695 WRPWWESYSQVJEQ-UHFFFAOYSA-N 418.309 4.818 0 40 HJAB COc1cc(/C=C/c2ccncc2)ccc1OC(=O)c1ccc(Br)o1 11858647 NOMSRFLPPPVXPI-NSCUHMNNSA-N 400.228 4.835 0 40 HJAB C[C@H](Oc1ccccc1F)C(=O)Nc1nc(-c2ccc(Br)cc2)ns1 11914859 SNYDNBBRLIISRD-JTQLQIEISA-N 422.279 4.513 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)cc1 12361518 MCHQPFYNRVLUKK-FQEVSTJZSA-N 421.349 4.897 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)N4C[C@H](C)O[C@H](C)C4)cc3)sc2c1 12692033 LPMKVJILDYTVAH-BBWFWOEESA-N 409.555 4.708 0 40 HJAB CC(C)Cc1ccc([C@H](NCc2nnnn2-c2ccccc2)c2cccs2)cc1 12753635 JIOAVXZTVSBXJF-QHCPKHFHSA-N 403.555 4.802 0 40 HJAB CC(C)C[C@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 12777889 JTLYRMDRJNJRJV-SFHVURJKSA-N 423.582 4.700 0 40 HJAB Cc1cc(NC(=O)CN[C@H](C)c2ccc(Cl)cc2Cl)n(-c2ccccc2)n1 12857832 WDBZDOKNXGOZBR-CQSZACIVSA-N 403.313 4.777 0 40 HJAB COc1ccc(NC(=O)c2ccc(CSc3nnc(-c4ccco4)n3C)cc2)cc1 13112974 PNSAGAHTLYNQCN-UHFFFAOYSA-N 420.494 4.628 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)Nc2cccc(F)c2)n1Cc1ccccc1 13512226 XPZMIQSIAKBEIP-UHFFFAOYSA-N 422.485 4.765 0 40 HJAB COCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](c1ccco1)C3 13638355 UHHCYLXQHLHVJM-CQSZACIVSA-N 407.857 4.702 0 40 HJAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)C(c1ccccc1)c1ccccc1 14183543 BPYZFNAJRKNGQE-UHFFFAOYSA-N 412.533 4.761 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 15746643 SFVLIEZTBJKXKQ-QTGCHDBNSA-N 411.310 4.802 0 40 HJAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)Nc1nc(-c2ccc(F)cc2)cs1 17081879 IVSADFKIURGWBT-LTCOOKNTSA-N 400.475 4.581 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(F)c4)cc3O)oc2c1 17092664 QIZJJVWPVNIVRC-UHFFFAOYSA-N 421.453 4.775 0 40 HJAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@@H]2CC=CCC2)C1 19528849 DYWVPERVCJSHOM-CLOONOSVSA-N 422.594 4.669 0 40 HJAB Cc1ccc2[nH]c(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)c(-c3ccccc3)c2c1 19716824 BZIZLDCGAPXODJ-INIZCTEOSA-N 400.526 4.855 0 40 HJAB CCCCCOc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1Br 19943264 SQHYAXRQQVJGFN-HUUCEWRRSA-N 418.397 4.685 0 40 HJAB CC(=O)NCc1ccc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)s1 24694653 MJVSCHCBKYBZED-UHFFFAOYSA-N 423.321 4.809 0 40 HJAB CCCCc1ccc(NC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 29471339 YKFZWUZSQXCSSY-UHFFFAOYSA-N 409.486 4.668 0 40 HJAB Cc1nc(-c2ccc(CNC(=O)C3(c4ccc5c(c4)OCCO5)CCCC3)o2)cs1 32842101 PMIJVDIRVBJADH-UHFFFAOYSA-N 424.522 4.611 0 40 HJAB Cc1cc(C)c2c(=O)cc(CSCC(=O)Nc3cccc(Cl)c3C)[nH]c2c1 33064102 JRKOLLXGZKOPTM-UHFFFAOYSA-N 400.931 4.979 0 40 HJAB COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3cccc(C)c3)n2)c1 33327268 NGZDNGLXWYGBSB-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB O=C(NCCCN1CCCCCC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 36730871 UBTVLULIZUYERY-UHFFFAOYSA-N 418.459 4.895 0 40 HJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 38771715 DZKLVDRUEJEOAK-QXJBOHEXSA-N 414.549 4.855 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1cccc(N2C(=O)c3ccccc3C2=O)c1 39314691 OCURYVPGLPGIRG-UHFFFAOYSA-N 410.351 4.758 0 40 HJAB O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)Nc1nnc(C2CC2)s1 40287874 TZUKMEBFWBDVCP-UHFFFAOYSA-N 404.495 4.588 0 40 HJAB O=C(NC1CCCCC1)NC1CCN(Cn2c(=S)oc3cc(Cl)ccc32)CC1 48340438 PKABXOGFOWZFHQ-UHFFFAOYSA-N 422.982 4.671 0 40 HJAB Cc1cc(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)c2c(C)nn(C)c2n1 59307815 JMQUAHUSIXNCQM-UHFFFAOYSA-N 409.509 4.745 0 40 HJAB Cc1noc(-c2ccccc2)c1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 95939696 PVISSHTVOLXZFL-UHFFFAOYSA-N 402.454 4.646 0 40 HJAB COc1ccc2c(ccn2CCC(=O)N[C@H]2CCCc3c2[nH]c2ccc(OC)cc32)c1 96221380 BFRLXWXWQDKSCX-QFIPXVFZSA-N 417.509 4.724 0 40 HJAB biogenic Cc1ccc(/C=C2/N=C(SCc3ccc(F)cc3)N(C[C@H]3CCCO3)C2=O)cc1 96905130 MABUWSVLWAJPDT-TTYLXTBDSA-N 410.514 4.786 0 40 HJAB Cc1ccc(N[C@@H](CC(=O)c2c(O)c3ccccc3n(C)c2=O)c2ccco2)cc1 104827700 RMFDNXXOACWZRK-SFHVURJKSA-N 402.450 4.572 0 40 HJAB CC1CCN(Cc2cccc(NC(=O)[C@@]3(C)CC(c4ccccc4F)=NO3)c2)CC1 141567118 HXVMYSQBBNWGGV-XMMPIXPASA-N 409.505 4.579 0 40 HJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(O)c(Br)c3)N21 222665831 IHYPZFSBNFQPAP-JCURWCKSSA-N 404.333 4.529 0 40 HJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 222985102 YWVBXYFFQFBCPT-QFIPXVFZSA-N 406.482 4.623 0 40 HJAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCOc1cccc2ccccc12 223540461 KKQZECZVQVVBCU-UHFFFAOYSA-N 410.322 4.645 0 40 HJAB CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2O1 223857985 DXPMGJZSABZPNB-QGZVFWFLSA-N 424.360 4.810 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H](C)c2ccccc2)ccc1C 223940658 WWLDUOVHRKKLJF-LJQANCHMSA-N 422.550 4.638 0 40 HJAB Cc1ccc(Cl)cc1N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O 224049185 JWLIQZBAGRPIGM-UHFFFAOYSA-N 417.015 4.526 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 224142063 YTIJCPYEIARUAY-DEOSSOPVSA-N 406.570 4.712 0 40 HJAB Cc1cccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@H](C)C(=O)NCC(C)C)c1 224166081 YHDMKLZWFNEITI-OAQYLSRUSA-N 424.585 4.687 0 40 HJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)cc1 224192305 LFMNLKFPNSAGNJ-DHIUTWEWSA-N 411.534 4.753 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 224280549 DFFCVUJXEAWODS-DEOSSOPVSA-N 422.569 4.548 0 40 HJAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 224421131 QIDJHKLAOMCCMX-VXKWHMMOSA-N 415.497 4.584 0 40 HJAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 224628410 YJOIPMXHRKGEOH-RUZDIDTESA-N 416.565 4.758 0 40 HJAB Cc1cccc(CN(C(=O)CSc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1 224705475 GDDOPAJRTYAHSV-HXUWFJFHSA-N 424.610 4.953 0 40 HJAB COc1cc(C)c(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)cc1C(C)C 225636039 YWXXNHDYUGMSAN-UHFFFAOYSA-N 419.587 4.825 0 40 HJAB CCOCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c(C)n1 225868313 RDUFNCHJOJWCAT-UHFFFAOYSA-N 400.494 4.785 0 40 HJAB CN(C)c1cc([C@H]2CCCN2C(=O)c2cccc(OCc3cccc(F)c3)c2)ccn1 257221608 DPVKHLCZRVEBHW-HSZRJFAPSA-N 419.500 4.843 0 40 HJAB CC(C)=CCC[C@]1(C)Oc2ccc(C(=O)NCCN(C)C)cc2[C@@H]2O[C@H](C)CC[C@H]21 257334072 YEKCUGOSBYISGN-XHYJFUKLSA-N 414.590 4.732 0 40 HJAB Cc1cccc(-c2nc(C(=O)OCC(=O)c3ccccc3)nn2-c2ccccc2C)c1 408698696 RLRVOYVOWDIONM-UHFFFAOYSA-N 411.461 4.591 0 40 HJAB O=C(Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1)NC1CCCCC1 409143930 NMCLKEKARMEZQS-UHFFFAOYSA-N 420.494 4.551 0 40 HJAB CCOc1ccc(Br)cc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O 409165900 AEHGXWLHDUOFCN-XNTDXEJSSA-N 421.678 4.599 0 40 HJAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 409203043 UJCKIDFOKQJDMH-SJPXOZHESA-N 411.479 4.857 0 40 HJAB O=C(CSCC(F)(F)F)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 564046310 NBOPKUSRYCFSCU-UHFFFAOYSA-N 401.372 4.587 0 40 HJAB O=C(c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)N1C[C@H]2CCC[C@H]21 606401513 WLCLLQAAWHWSGW-IUODEOHRSA-N 418.444 4.639 0 40 HJAB O=C(N[C@@H](C(=O)O)C1CCC(F)(F)CC1)OCC1c2ccccc2-c2ccccc21 1082922815 UFHACDQPDBSWER-HXUWFJFHSA-N 415.436 4.804 0 40 HJAB Cc1nc(CN2CCC3(CC2)C[C@@H](Cc2ccccc2)N(CC(C)C)C3=O)cs1 1615152371 AWQMZNMVJQZLPX-JOCHJYFZSA-N 411.615 4.533 0 40 HJAB COc1cc(C(=O)NCCc2c[nH]c3ccc(OC)cc23)c2c(c1)C(C)=CC(C)(C)N2 2033970169 PSSFXTFAKKXBGV-UHFFFAOYSA-N 419.525 4.765 0 40 HJAB COc1cc(/C=C2\N=C(c3cccs3)OC2=O)ccc1OCc1ccc(C)cc1 842769 PDCAEJBYILPBFA-PDGQHHTCSA-N 405.475 4.989 0 40 HJAB O=C(c1ccc(COc2ccc(Cl)cc2Cl)o1)n1cc(Br)cn1 1083395 IVOMQISLVUPZEU-UHFFFAOYSA-N 416.058 4.813 0 40 HJAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1F 1263186 KLBUESVSAAIYRR-UHFFFAOYSA-N 411.424 4.572 0 40 HJAB CCCCc1nc2sc3c(NC[C@@H](C)O)nc(SC)nc3c2c2c1CCC2 2441139 QUQFUOGIUQKXQI-LLVKDONJSA-N 402.589 4.585 0 40 HJAB Cc1ccc(CN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(O)cc2)cc1 2704172 AQTYXQZEWVQHRN-QHCPKHFHSA-N 411.457 4.861 0 40 HJAB CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Br)cc1 2721799 XFAUPCURKWFQFK-UHFFFAOYSA-N 416.343 4.720 0 40 HJAB aggregator CCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 3249510 NZKFKKDRMMCGOB-UHFFFAOYSA-N 415.522 4.623 0 40 HJAB Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2S[C@@H]2CCOC2=O)cc1 3500829 SEYIVZBPHUEFEI-OKPNHQCWSA-N 420.534 4.911 0 40 HJAB CCOc1ccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)cc1 3642468 OWKMXQWWXXCDGZ-SJORKVTESA-N 404.301 4.712 0 40 HJAB COc1cccc(NC(=O)CN2C(=O)C[C@H](c3ccccc3)Sc3ccccc32)c1 4162770 LTLKEHKEDAKNNT-JOCHJYFZSA-N 418.518 4.904 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)n1Cc1ccccc1 4400621 XESDWXGTGBLLFJ-UHFFFAOYSA-N 422.485 4.765 0 40 HJAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1 4703945 DZHGHTNSHWGBES-UHFFFAOYSA-N 417.962 4.774 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1C[C@@H](C)C[C@@H](C)C1 4747719 NXBHXJUJLANLDR-IYBDPMFKSA-N 400.544 4.508 0 40 HJAB CCCCCn1c(N)c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc21 5065874 MGIAUWAWIAVSBR-UHFFFAOYSA-N 421.932 4.940 0 40 HJAB O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc2c(c1)OCCO2 5583925 YUDKCYTYVYLGPB-UHFFFAOYSA-N 403.809 4.861 0 40 HJAB COc1ccc(-n2c(SCc3cc(C)on3)nnc2-c2ccccc2)cc1OC 5702368 VHDUCMCBTDQRDS-UHFFFAOYSA-N 408.483 4.540 0 40 HJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1C 5861087 KTHDWCDSTVWRSR-UHFFFAOYSA-N 421.570 4.512 0 40 HJAB O=C(COC(=O)c1ccccc1Nc1ccccc1)N[C@@H]1CCCc2ccccc21 6038153 QRXKKLVEVQTSBC-JOCHJYFZSA-N 400.478 4.781 0 40 HJAB COc1cc(OC)c(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1OC 6306552 IMPMINYSMRLCTE-UHFFFAOYSA-N 405.494 4.664 0 40 HJAB CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OC(C)C)c3)cc2)CC1 6515743 OEWGZBARTKAJJT-UHFFFAOYSA-N 411.571 4.837 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc([C@@H](C)Oc2ccccc2)n1CC 8088428 IMRURZFDNCNFDA-MRXNPFEDSA-N 410.543 4.731 0 40 HJAB CC(C)[C@@H](NC(=O)c1ccccc1Br)c1ccc2c(c1)OCCCO2 8394486 CWBOSAWRBVYFIQ-LJQANCHMSA-N 404.304 4.738 0 40 HJAB COc1ccc(Br)c2c1-c1nc(NC(=O)c3ccc(F)cc3)sc1C2 8830882 RGXIKJLQZXCEDB-UHFFFAOYSA-N 419.275 4.877 0 40 HJAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)s1 8990644 AJUNQMDYABOUTN-REXAPNPKSA-N 403.503 4.577 0 40 HJAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccco4)cc3c2C)cc1OC 9047720 KQNREJRXRLWNLG-UHFFFAOYSA-N 405.406 4.835 0 40 HJAB biogenic O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCC[C@H](c2nc3ccccc3s2)C1 9516703 LTMUYJOVEVVSMX-PKOBYXMFSA-N 424.570 4.615 0 40 HJAB O=S(=O)(Cc1ccccc1Cl)NCc1ccc(OCc2ccc(F)cc2)cc1 10543799 LPDBEEPKBUJOCZ-UHFFFAOYSA-N 419.905 4.678 0 40 HJAB O=C(Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21)NCCc1ccccc1 11695953 OTLGXGSOQWXORR-UHFFFAOYSA-N 422.488 4.717 0 40 HJAB Cc1ccc2cc(CCNC(=O)C3c4ccccc4Oc4ccccc43)c(=O)[nH]c2c1C 11726485 JRCKVJCNNQRCNC-UHFFFAOYSA-N 424.500 4.741 0 40 HJAB CCOc1cccc2s/c(=N/C(=O)c3cccc(Br)c3)n(CC)c12 12378114 IFOBSFLKQMQNKF-CZIZESTLSA-N 405.317 4.625 0 40 HJAB Cc1ccc([C@@H](NCC(=O)Nc2ccc(N3CCCC3)cc2)c2cccs2)cc1 12597643 IZJNAMHARQTTAT-XMMPIXPASA-N 405.567 4.974 0 40 HJAB O=C(Nc1cccc(CNCCc2ccc3c(c2)OCCO3)c1)c1ccccc1Cl 12795090 TWPBVFZXUWSGQA-UHFFFAOYSA-N 422.912 4.696 0 40 HJAB C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 13038658 SIHZNBQLTNQMRU-CQSZACIVSA-N 411.855 4.508 0 40 HJAB C[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 13579413 WRGCGCQMOYFOBU-CXTZRUPXSA-N 423.516 4.686 0 40 HJAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccccc3)n2CC)cc1 13871519 ZOLAFGAGGKXVGO-MRXNPFEDSA-N 410.543 4.731 0 40 HJAB CC1CCN(S(=O)(=O)c2ccc(NC(=S)Nc3ccc(Cl)cc3)cc2)CC1 17093753 UKJZHVVMLYAKQB-UHFFFAOYSA-N 423.991 4.570 0 40 HJAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc3ncccc23)C1 19081948 GOQUGZPRCNEZDO-GBXCKJPGSA-N 416.569 4.745 0 40 HJAB CCc1ccccc1Nc1nc([C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)c2sccn12 19523083 SWQIFVILCIOVDA-MJGOQNOKSA-N 424.570 4.587 0 40 HJAB CCc1nc2ccccc2n1C[C@H](C)C(=O)N[C@H](c1ccncc1)c1cccs1 19523276 QSQYNNAPJALDIQ-KSFYIVLOSA-N 404.539 4.597 0 40 HJAB COc1c(Cl)cc(C(=O)Nc2cc(C(=O)O)cc(Cl)c2OC)cc1Cl 20142528 GBYMTDSXYLUUCY-UHFFFAOYSA-N 404.633 4.615 0 40 HJAB CCCCCn1c(=N)n(C[C@@H](O)COc2ccc(Cl)cc2Cl)c2ccccc21 20292127 OKHXCSNDBMDGFZ-MRXNPFEDSA-N 422.356 4.859 0 40 HJAB Cc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1 22256930 IYOZDFBYLNSUAB-UHFFFAOYSA-N 413.543 4.768 0 40 HJAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N(CC)CC)c2c1 22574358 DQWISOINUOTDDO-UHFFFAOYSA-N 418.946 4.966 0 40 HJAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(N2CCOCC2)cc1 32788262 DUUGSKAFQZCMBM-UHFFFAOYSA-N 411.354 4.702 0 40 HJAB CCOc1ccc(-c2nc(CSc3nnc(-c4cccs4)n3N)cs2)cc1 32911205 XGAWDMVRFKMAQU-UHFFFAOYSA-N 415.569 4.535 0 40 HJAB COc1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)c(OC)c1 35041567 QXQFGNXUDXLTDX-CXUHLZMHSA-N 409.891 4.902 0 40 HJAB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1 38753435 MOABOMBDVAVVOW-HSZRJFAPSA-N 422.550 4.701 0 40 HJAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 40070072 CNTYXJCDKSMFDH-UHFFFAOYSA-N 413.924 4.592 0 40 HJAB COc1ccc(/C=C/c2ccnc3nc(N4c5ccccc5C[C@@H]4C)[nH]c(=O)c23)cc1 40388443 JGVLBXRPZXHJED-JCVNQNCUSA-N 410.477 4.580 0 40 HJAB Cc1ccc(NC(=O)CSc2cc(-c3nc(C4CC4)no3)ccn2)c(Cl)c1 49405458 RRASVOSHEJMGKD-UHFFFAOYSA-N 400.891 4.702 0 40 HJAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CCC(c2cccc3ccccc23)CC1 58725406 RVKZMLBGNJDXIZ-BWAHOGKJSA-N 423.520 4.539 0 40 HJAB CC[C@H](C)n1c(SCC(=O)N(CC)Cc2ccccc2)nc2ccsc2c1=O 67335168 BSGPRWQNPXVCQV-HNNXBMFYSA-N 415.584 4.570 0 40 HJAB Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(C(=O)C4CCC4)CC3)c12 72336011 HVYHGSXLGGRQKX-UHFFFAOYSA-N 410.562 4.723 0 40 HJAB CC[C@H](C(=O)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)c1ccccc1 77191029 HFGLIEFXPVSHGN-SFHVURJKSA-N 415.415 4.875 0 40 HJAB COc1cc(OC)c(C(=O)Nc2ccccc2NCc2ccccc2C)cc1OC 95467811 BHIDPTONCZEZTA-UHFFFAOYSA-N 406.482 4.885 0 40 HJAB O=C(NC1CCCCCC1)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 96037955 MBEJVKICZZTQGE-UHFFFAOYSA-N 413.525 4.699 0 40 HJAB CCc1ccc(-c2noc(Cn3nc(-c4ccc(C(C)C)cc4)ccc3=O)n2)cc1 96322873 WZGKJRBPIMLEPA-UHFFFAOYSA-N 400.482 4.694 0 40 HJAB C[C@@H](NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)[C@@H]1C[C@@H]2CC[C@@H]1C2 101694208 HZWNNSKPSQWJKP-MTNOOBJLSA-N 418.493 4.593 0 40 HJAB O=C(N(Cc1ccccc1)c1ccccc1)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 102834237 DNYUJLWTCIEYGH-FPMFRTRJSA-N 412.537 4.807 0 40 HJAB C[C@H]1CCc2nc3sc(C(=O)Nc4ccc(C(F)(F)F)cn4)c(N)c3cc2C1 215712645 OCKKCJDYCNRAQT-VIFPVBQESA-N 406.433 4.669 0 40 HJAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCS[C@H](c2cccs2)CC1 219546685 RBEDXGGGXKYUFT-HNNXBMFYSA-N 423.503 4.516 0 40 HJAB COC(=O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)o2)c1 222857074 QAPLYCLYJYNOKE-NHCUHLMSSA-N 421.522 4.509 0 40 HJAB Cc1cc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)ccc1Cl 222858547 XYXNJIATWMLHNR-CYBMUJFWSA-N 420.296 4.778 0 40 HJAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)cc21 223356118 HFUMYQWSGCLPQD-UHFFFAOYSA-N 424.478 4.516 0 40 HJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)cc1 224192016 IHOVMIGNOYYZLG-PKTZIBPZSA-N 411.534 4.753 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224757738 BBFHJFPYFDYVLA-LJQANCHMSA-N 410.533 4.543 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 225478237 ALWPIOUNVSRRME-NZQKXSOJSA-N 410.558 4.568 0 40 HJAB CCCO[C@@](C)(C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1)C1CC1 225672845 LNRVPQDYNMRIBY-NTKDMRAZSA-N 402.579 4.721 0 40 HJAB CCc1ccccc1NC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 225983879 RHJMYAGBAPOTOB-UHFFFAOYSA-N 422.550 4.564 0 40 HJAB CN(C)C(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2ccncc2)CC1 257266427 MCZFOINGYGKPAI-UHFFFAOYSA-N 419.594 4.723 0 40 HJAB O=C(O)c1ccc(CN2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)cc1 257280586 OLLOZPZACODKQP-IBGZPJMESA-N 410.901 4.997 0 40 HJAB O=C1S/C(=C/c2cc(Br)ccc2O)C(=O)N1CCCc1ccccc1 409133014 QAFNWURQBFJYMS-SFQUDFHCSA-N 418.312 4.824 0 40 HJAB Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCCCN(C)C)CCOCC3)c2)c1 585168581 YSKYZWAJGUERLQ-UHFFFAOYSA-N 422.613 4.768 0 40 HJAB COC(=O)c1cc(C)cc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1 1518470753 UOAOYOIFTVDCMM-UHFFFAOYSA-N 405.416 4.820 0 40 HJAB Nc1cccc(CN2CCC(OC(=O)NC(c3ccccc3)c3ccccc3)CC2)c1 600501 BUXIWTJVINPFPP-UHFFFAOYSA-N 415.537 4.749 0 40 HJAB Cc1c(Cl)cccc1S(=O)(=O)N1CCC(c2nc3ccccc3s2)CC1 1327474 SWFJIBPLKOWTCR-UHFFFAOYSA-N 406.960 4.826 0 40 HJAB O=C(COc1ccc(-c2nccc(-c3cccs3)n2)cc1)NCc1cccs1 1383636 BLFNKEOBSOJJCO-UHFFFAOYSA-N 407.520 4.629 0 40 HJAB CC(C)C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O 1409876 QBJMBRSMZFCIJJ-KRWDZBQOSA-N 405.281 4.643 0 40 HJAB COc1ccc(C(=O)CSc2nnc(Nc3cccc(C)c3)s2)c(OC)c1 2650582 GKABQMPYWKZCHW-UHFFFAOYSA-N 401.513 4.582 0 40 HJAB CCCCCn1c(=S)[nH]c2cc(C(=O)Nc3ccc4c(c3)CCC4)ccc2c1=O 3631152 VTECBEVIXHLCGP-UHFFFAOYSA-N 407.539 4.990 0 40 HJAB O=C1CS[C@@H](c2ccccc2F)N1c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4269011 QMDYOJBQMYMBHG-GZDOSPBESA-N 415.559 4.924 0 40 HJAB CCCCOc1cccc(OCCCC)c1C(=O)NC[C@@H]1COc2ccccc2O1 4438300 WOQVOMSCNMBJJV-GOSISDBHSA-N 413.514 4.614 0 40 HJAB COc1ccc(-c2noc(CN(C(=O)c3ccccc3)C3CCCCC3)n2)cc1OC 4943466 IXZKVTUXGUDADD-UHFFFAOYSA-N 421.497 4.729 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)N2N=C(CCC(C)C)C[C@]2(O)C(F)(F)F)c1 5024531 SSASADHSRNEJLS-FQEVSTJZSA-N 414.468 4.773 0 40 HJAB CCOc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccccc2OC)c(O)c1 5562453 UJTCSLZXDSJUMM-UHFFFAOYSA-N 405.376 4.525 0 40 HJAB biogenic CC(C)c1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 5576377 QTFJEIGAQLCGEY-UHFFFAOYSA-N 403.511 4.670 0 40 HJAB CC(=O)c1ccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1 5654194 DDGZFLWQFFPBOV-GOSISDBHSA-N 410.520 4.769 0 40 HJAB CCc1ccc([C@@H](C)NC(=O)COC(=O)CCCc2nc3ccccc3s2)cc1 6140827 SKXCONALNSYHNB-MRXNPFEDSA-N 410.539 4.602 0 40 HJAB COc1ccc(-c2csc(NC(=O)COc3ccc(C(C)C)cc3)n2)cc1OC 6201440 NKSQKYRWRRVKJZ-UHFFFAOYSA-N 412.511 4.968 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)c(C)c1 6844154 PLAJARSCOVZVKX-UHFFFAOYSA-N 424.570 4.865 0 40 HJAB Cc1ccc(NC(=S)NCc2ccccc2)cc1NC(=S)NCc1ccccc1 7526431 NWFYANZAELDMRS-UHFFFAOYSA-N 420.607 4.968 0 40 HJAB Cc1nc(-c2ccc(CNC(=O)CSc3nc4ccccc4o3)s2)cs1 7821243 XBCBEXABRVIAJZ-UHFFFAOYSA-N 401.538 4.730 0 40 HJAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCc2sccc2[C@@H]1c1cccs1 7947948 VDYQLEOUIKQZKE-QGZVFWFLSA-N 403.912 4.980 0 40 HJAB COc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccccc2F)cc1 8361838 NRPBNVRHZIWEJM-INIZCTEOSA-N 403.457 4.723 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(F)c1)N(c1nccs1)C3=O 9328331 NWSQSGFEOUKUCD-GOSISDBHSA-N 406.438 4.755 0 40 HJAB Cc1cc(=O)oc2cc(OCc3nc(-c4cccc(C(F)(F)F)c4)no3)ccc12 12739593 FWVFDSPJTRHKSG-UHFFFAOYSA-N 402.328 4.749 0 40 HJAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cccnc1-n1cncn1 12787605 XHCRSNAVHAIFDY-UHFFFAOYSA-N 424.489 4.705 0 40 HJAB CN(Cc1c(F)cccc1Cl)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 12890348 CRDSMKKOMSWPOD-UHFFFAOYSA-N 420.875 4.999 0 40 HJAB Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)nn2)n1 13009656 FOLHWVOHKGFVSA-UHFFFAOYSA-N 404.861 4.620 0 40 HJAB Cc1sc2nc(CSCc3cc(=O)oc4cc5c(cc34)CCC5)[nH]c(=O)c2c1C 13110007 QSXARECQZRYPFO-UHFFFAOYSA-N 424.547 4.630 0 40 HJAB COc1ccc(/C=C/C(=O)Oc2ccc(NC(=O)c3ccccc3OC)cc2)cc1 14630758 GOSBAQSJAXGAEC-CXUHLZMHSA-N 403.434 4.575 0 40 HJAB CC(=O)N[C@H](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(F)cc1 19020026 BCUWZSGMVMRNGF-QPPBQGQZSA-N 422.525 4.629 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2ccncc2)C1 19449625 XXCAYAVYCCBPKR-VWLOTQADSA-N 419.594 4.770 0 40 HJAB CCC(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 19498829 JOIHKQVATNNRKM-HXUWFJFHSA-N 405.477 4.885 0 40 HJAB COc1cccc(-c2nc3c(s2)CN(Cc2c(C)nc4cc(C)ccn24)CC3)c1 19719850 NGPSPZJLGBNSCW-UHFFFAOYSA-N 404.539 4.642 0 40 HJAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)NCc1ccco1 20104724 BXBHEMCJXWALPP-UHFFFAOYSA-N 400.434 4.624 0 40 HJAB Cc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5)nc4nc3C2)cc1 20632383 HRVUUCHWLCSZJM-SFHVURJKSA-N 400.507 4.638 0 40 HJAB COc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1Cl 21185343 GSTGJRPCDKEWTN-UHFFFAOYSA-N 413.827 4.618 0 40 HJAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NC[C@H](c1ccccc1)N1CCCC1 23742259 ZOBMJGQHAFGKJH-OAQYLSRUSA-N 423.944 4.881 0 40 HJAB CCOc1ccc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@@H]2c2ccccc2)cc1 28047976 JXHXNSWDFORSNJ-QHCPKHFHSA-N 420.896 4.923 0 40 HJAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1ccc(-c2ccccc2)cc1 32753868 UWHHXEOJSCJBFE-SFHVURJKSA-N 407.535 4.519 0 40 HJAB COc1ccc(-c2nc(CSc3nc(N)c4ccsc4n3)cs2)cc1OC 32841112 WVUPNPNESCWUMW-UHFFFAOYSA-N 416.553 4.707 0 40 HJAB C[C@H](NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1 32862964 CHPUDKYHFOFVRZ-NWDGAFQWSA-N 415.342 4.518 0 40 HJAB Cc1ccc(NC(=O)c2sc3ncn(Cc4ccccc4)c(=O)c3c2C)cc1C 35672057 QENAKQIGHBLZSG-UHFFFAOYSA-N 403.507 4.684 0 40 HJAB Cc1sc(=O)n(CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)c1-c1ccc(F)cc1 40131657 QRFWSYASYNTCHW-FQEVSTJZSA-N 416.493 4.677 0 40 HJAB CC(=O)N(C)Cc1cccc(NC(=O)CCCCc2ccc(Br)cc2)c1 40133681 YMELAIREJDSQNY-UHFFFAOYSA-N 417.347 4.779 0 40 HJAB Cc1ccnc(NC(=O)c2ccc(Oc3ccc(F)cc3Br)nc2)c1 44907766 IDWOFCZBPDWNFV-UHFFFAOYSA-N 402.223 4.731 0 40 HJAB Cc1cc(SCC(=O)Nc2cc(Cl)ccc2Cl)nc(-c2cccnc2)n1 49007072 FGHYTKFECSPGSE-UHFFFAOYSA-N 405.310 4.885 0 40 HJAB O=C(Cn1cc(C(=O)c2ccccc2)c(=O)c2ccccc21)Nc1cccc(Cl)c1 49421471 FRKKKRVEKMHVKD-UHFFFAOYSA-N 416.864 4.525 0 40 HJAB CSc1cccc(NC(=O)CN2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 58268420 PUTHEAICFVTEBG-IBGZPJMESA-N 408.527 4.624 0 40 HJAB C[C@@H]1CCCCN1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 58364290 VDURTIVYFDPAPW-CQSZACIVSA-N 402.336 4.528 0 40 HJAB COC(=O)C[C@H](NC(=O)Nc1ccc(Oc2cccc(F)c2)nc1)c1cccs1 69740263 DOAYUWWMLIGBGN-INIZCTEOSA-N 415.446 4.500 0 40 HJAB CCOC(=O)c1cc(-c2ccc(O)cc2)c2c(C)nn(-c3cccc(Cl)c3)c2n1 71405473 KHAWROFYLQPWLT-UHFFFAOYSA-N 407.857 4.932 0 40 HJAB CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cn1 79046152 LRWFJSWGAMIQHI-FQEVSTJZSA-N 408.477 4.765 0 40 HJAB COC(=O)C[C@H](c1ccccc1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96114089 AAAAWQOPBUPWEV-QGZVFWFLSA-N 416.429 4.566 0 40 HJAB biogenic COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)cc1 96234446 LTKKIEZBWAYWPX-CYBMUJFWSA-N 417.918 4.538 0 40 HJAB CCOc1ccc(-c2c[nH]c3c(C4=NCCCCC4)c(=O)n(-c4ccccc4)n23)cc1 103529626 NGMKPNWYABXAHP-UHFFFAOYSA-N 414.509 4.847 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1cccc2ccccc12 222931755 JCOWMJFTJYEUCK-GOSISDBHSA-N 422.956 4.979 0 40 HJAB CC(C)(C)C(=O)N1CCC[C@H]1c1nc(Cc2ccc(Cl)cc2)c(C(=O)O)s1 257232147 GJPONXHKVKZAFT-HNNXBMFYSA-N 406.935 4.795 0 40 HJAB COc1ccccc1-c1ccccc1CN1CCC[C@H]1c1ccnc(CNC(C)=O)c1 257283176 OXAQCBWRGYTVOQ-VWLOTQADSA-N 415.537 4.730 0 40 HJAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(C(=O)O)cc4)C[C@H]3C[C@H]21 257296774 REIMEYPPWOHJBX-LPOZWGFCSA-N 407.510 4.524 0 40 HJAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(Cn5cccn5)cc4)OCC[C@@]31C2 257334858 YHQZMTPWYVZBES-SYOGCCDTSA-N 421.585 4.730 0 40 HJAB CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1Cl 409042288 KCCAOMOHWKBXNM-WJDWOHSUSA-N 407.322 4.997 0 40 HJAB CC[C@](C)(NC(=O)c1ccc(C(=O)N[C@@](C)(CC)C(F)(F)F)s1)C(F)(F)F 531331112 CTCHAOIMHSXALL-KBPBESRZSA-N 418.403 4.670 0 40 HJAB Cc1cc(NC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 539300864 IWBZFNNGDHXZJK-ZCLUNYJNSA-N 410.518 4.754 0 40 HJAB O=C(Oc1ccc(Br)cc1Br)c1ccc(Br)o1 682990 GCBDRMDHCRZKOC-UHFFFAOYSA-N 424.870 4.786 0 40 HJAB COC(=O)c1ccc(OC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 851652 XHVKJFDEVQPXPX-UHFFFAOYSA-N 409.825 4.598 0 40 HJAB Cc1ccc(CNC(=O)c2cnn3c2N[C@H](c2ccc(C)cc2)C[C@@H]3C(F)F)cc1 900505 NJBURQOXYUIWRW-VQTJNVASSA-N 410.468 4.793 0 40 HJAB Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)c3cnccn3)c(Cl)nc12 1367596 NJFZWSCNWQZPGE-UHFFFAOYSA-N 420.875 4.968 0 40 HJAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1C(C)(C)C 2441653 AAEWYKNEYZHMPZ-UHFFFAOYSA-N 414.600 4.979 0 40 HJAB Cc1ccccc1N(CC(=O)Nc1ccccc1C(C)C)S(=O)(=O)c1ccccc1 2648454 PRRALKVOYXYARJ-UHFFFAOYSA-N 422.550 4.952 0 40 HJAB Cc1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2C)C3=O)cc1 2716585 LTVFBJAFEORWMC-UHFFFAOYSA-N 414.505 4.519 0 40 HJAB CC(=O)Nc1cccc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)c1 2939941 LOJSMIYRRHPZQS-UHFFFAOYSA-N 412.445 4.979 0 40 HJAB Nc1c(C(=O)Nc2ccc(F)cc2)c2nc3ccccc3nc2n1Cc1ccccc1 3213252 VJJSVZLRZVGMFJ-UHFFFAOYSA-N 411.440 4.606 0 40 HJAB COc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1Cl 3357076 PIFADWXDEIQCMR-HXUWFJFHSA-N 408.885 4.849 0 40 HJAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc(C)c(C(=O)OC(C)C)c2c1 4660886 KDVCOWSSOVNKKV-UHFFFAOYSA-N 405.447 4.555 0 40 HJAB CCn1c(S[C@H]2CCOC2=O)nnc1-c1cc(-c2ccccc2)nc2ccccc12 4876429 JMCAJORLBZODQS-FQEVSTJZSA-N 416.506 4.588 0 40 HJAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 5359979 PJGPGNCYYRZEIK-UHFFFAOYSA-N 407.326 4.922 0 40 HJAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(C)s1 6355928 KDDYZJFSSHNBSA-JZOCJUILSA-N 404.333 4.925 0 40 HJAB CCOc1ccc(OCC)c(-c2csc(NC(=O)COc3ccccc3F)n2)c1 7280825 QPFNKKYIQOKFHT-UHFFFAOYSA-N 416.474 4.764 0 40 HJAB O=S1(=O)CCN2C(=N1)SC(c1ccccc1Cl)=C2c1ccccc1Cl 7717129 ULJPRWGBHYXPDH-UHFFFAOYSA-N 411.335 4.567 0 40 HJAB CC(C)N(c1ccccc1)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 7779906 MBAGGFGRIDBYIF-UHFFFAOYSA-N 412.493 4.582 0 40 HJAB O=C(NCCc1ccc2c(c1)OCCO2)[C@@H](Sc1ccccc1)c1ccccc1 8076610 FZPKUACEECODKP-QHCPKHFHSA-N 405.519 4.650 0 40 HJAB C[C@H](NC(=O)CSc1nnc(Cc2ccccc2)o1)c1ccc2c(c1)CCCC2 8133088 ZRLYEOWPZODQMN-INIZCTEOSA-N 407.539 4.509 0 40 HJAB O=C(COc1ccccc1Cc1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 8329150 RGPVQZHFUOAOAX-UHFFFAOYSA-N 418.884 4.529 0 40 HJAB COc1cc(CNn2cn[nH]c2=S)ccc1OCc1c(Cl)cccc1Cl 8471312 MFIZKKOXCWHSNR-UHFFFAOYSA-N 411.314 4.579 0 40 HJAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(F)cc1F 8605290 FQDRIQCAURJORT-UHFFFAOYSA-N 423.462 4.589 0 40 HJAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(F)cc3)c3cccc(C)c3)cc2c1 9303509 MTDULWACDXDNAO-UHFFFAOYSA-N 416.452 4.831 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2ccccc2N2CCCC2)cc1 9339141 WMGJUWGNCVCZTO-UHFFFAOYSA-N 419.525 4.743 0 40 HJAB CCCc1cc(=O)[nH]c(S[C@@H](C)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n1 9816690 IYNIJHIRYYANOG-LBPRGKRZSA-N 424.551 4.541 0 40 HJAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccc(OC[C@H]2CCCO2)cc1 10277701 MPLDXGMRAVLFGY-MRXNPFEDSA-N 416.449 4.898 0 40 HJAB CCOc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10314198 WWTSASMIJQEWLP-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB CC(=O)Nc1cccc(Nc2nnc(S[C@@H](C)c3nc(C(C)(C)C)no3)s2)c1 12537589 SCILNIYRTDAFQC-JTQLQIEISA-N 418.548 4.774 0 40 HJAB COc1ccc([C@@H](NC(=O)c2oc3ccc(Cl)cc3c2C)c2nccn2C)cc1 12576154 PCKSEIMCGLWXRE-LJQANCHMSA-N 409.873 4.656 0 40 HJAB CC(=O)Nc1ccc(OCC(=O)Nc2ccccc2SCc2ccccc2)cc1 12818596 WESXQEMKEBNTQH-UHFFFAOYSA-N 406.507 4.955 0 40 HJAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1C 12915754 REYIOPMBXGGYFA-UHFFFAOYSA-N 406.935 4.501 0 40 HJAB O=c1oc2c3c(ccc2cc1-c1ccc(Cl)cc1)OCN(Cc1cccnc1)C3 13727870 JJYITPWGYAUBBK-UHFFFAOYSA-N 404.853 4.861 0 40 HJAB COc1ccccc1[C@@H](CNc1nc(C(F)(F)F)nc2ccccc12)N1CCCC1 14084466 IOAIIEYQZYKPTN-GOSISDBHSA-N 416.447 4.906 0 40 HJAB O=C(Cc1csc(-c2cccs2)n1)NCc1ccc(CN2CCCCC2)cc1 14184077 WKEXBEDNGCDDSB-UHFFFAOYSA-N 411.596 4.716 0 40 HJAB O=C(COc1ccc(Br)cc1)c1ccc(NC(=O)c2ccccc2)cc1 14200549 NZCZIKDEZSHBJU-UHFFFAOYSA-N 410.267 4.963 0 40 HJAB CCc1ccc(OCC(=O)Nc2cccc(Br)c2)c(Br)c1 14553014 OPTXQQIPWNFBMQ-UHFFFAOYSA-N 413.109 4.792 0 40 HJAB COc1ccc(CN(C(=O)c2cc(=O)c3cc(C)cc(C)c3o2)c2ccccn2)cc1 15669882 OZAZTYMOPCEMTH-UHFFFAOYSA-N 414.461 4.660 0 40 HJAB COc1ccc(S[C@H](C)C(=O)NCCSCc2cccc(C)c2)cc1OC 20112254 RWQVCSNLLUBYHJ-MRXNPFEDSA-N 405.585 4.542 0 40 HJAB Cc1cccc(OCC(=O)Nc2cc(C)c(I)c(C)c2)c1C 20417979 IVWBFZQLNJTUKH-UHFFFAOYSA-N 409.267 4.542 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ncn[nH]2)cc1 20611353 WYGQIZOGCVDMOC-UHFFFAOYSA-N 402.907 4.547 0 40 HJAB CN(C(=O)CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)[C@H]1CCCc2ccccc21 21956018 CNOHFSCUOGQFOH-IXDOJHRFSA-N 422.529 4.742 0 40 HJAB CC[C@H]1CCCCN1C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 23156618 KHYOXPSCBORSSA-INIZCTEOSA-N 424.925 4.685 0 40 HJAB Cc1cccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CC[C@H](C)C4)c1 23955541 VWZPITAPYITBHW-INIZCTEOSA-N 409.555 4.749 0 40 HJAB Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H](C)c1nc2ccccc2n1C(F)F 24983844 JOQSAIMNBXJDNO-CQSZACIVSA-N 424.451 4.857 0 40 HJAB CS(=O)(=O)Nc1cccc(NC(=O)/C=C/c2sc3ccccc3c2Cl)c1 29163048 QQYSRIQEJSTAOI-MDZDMXLPSA-N 406.916 4.578 0 40 HJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(=O)OCC)c(C)n1 30579883 YDXAWCFBGAMCJC-UHFFFAOYSA-N 410.392 4.627 0 40 HJAB Cn1c(-c2ccccc2F)nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1=S 32913321 FPUSGGDTHLHZKY-HNNXBMFYSA-N 423.517 4.735 0 40 HJAB Cc1cccn2cc(-c3cccc(NC(=O)[C@@H](c4ccc(F)cc4)N(C)C)c3)nc12 35316882 ZTLYWVLLGDWOIV-JOCHJYFZSA-N 402.473 4.690 0 40 HJAB CCN(CC)Cc1ccc(C(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)cc1 36833972 XIIPCHGPGTZLOO-UHFFFAOYSA-N 419.501 4.804 0 40 HJAB Cc1ccccc1NC(=O)C[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21 39964030 AMUFWIREXPBPSU-HSZRJFAPSA-N 424.504 4.504 0 40 HJAB CCOc1ccc(-c2nc(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cs2)cc1 40080449 GEXQTRXNSOQYHE-FQEVSTJZSA-N 412.486 4.562 0 40 HJAB O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)NC1CCCCC1 40140085 LJBQCIRARQFNQG-UHFFFAOYSA-N 415.331 4.693 0 40 HJAB CC1(C)C[C@H](NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2O1 44918373 XEXFPYVLQIYAQY-NRFANRHFSA-N 412.961 4.971 0 40 HJAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc3ncsc3c2)cc1 48325195 FODQRVITXFRKJX-UHFFFAOYSA-N 401.535 4.955 0 40 HJAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1ccc(F)cc1F 57487261 HDGLZLWKWHWUPL-UHFFFAOYSA-N 414.799 4.775 0 40 HJAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(Cc1cccnc1)C[C@@H]1CCCO1 59786844 PXRZOJFDKILXRF-NLFFAJNJSA-N 416.521 4.724 0 40 HJAB CCOc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1OCC 61972690 SNCFPOWEKNSFQS-UHFFFAOYSA-N 410.495 4.564 0 40 HJAB CCOc1ccc(-c2nc(CN3c4ccccc4[C@H](C(N)=O)C[C@@H]3C)cs2)cc1 65492760 JKENDNPRRLVPKG-MGPUTAFESA-N 407.539 4.577 0 40 HJAB Cc1ccc(C(=O)N[C@@H]2CCc3ccccc3C2)cc1NC(=O)c1ccccc1F 71847876 IXMNAVDWLBZJMQ-HXUWFJFHSA-N 402.469 4.674 0 40 HJAB CSc1ccc(/C=C/C(=O)Nc2ccc3c(c2)C(=O)N2CCCC[C@H]2CCO3)cc1 96120460 ZSJRCKTUJAOYDQ-UBIUBJKMSA-N 422.550 4.838 0 40 HJAB CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3c(OCc4ccccc4)cccc3O2)C1 96341545 UEMQVKDSNCMQIX-DEOSSOPVSA-N 409.482 4.610 0 40 HJAB Cc1nccn1-c1ccccc1CNC(=O)CSCc1c(F)cccc1Cl 216307463 VVCWXQMIDOBUPP-UHFFFAOYSA-N 403.910 4.523 0 40 HJAB CCSc1ccccc1NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 216394426 CPHZJTFNYPJMBO-UHFFFAOYSA-N 420.600 4.600 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 222503846 JMKZHISTINANOE-NRFANRHFSA-N 400.950 4.523 0 40 HJAB Cc1ccc(CCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)cc1 222757267 KIYUQOMEURHYAQ-QJOMJCCJSA-N 418.562 4.885 0 40 HJAB C[C@@H]1Cc2cc(Br)ccc2N1S(=O)(=O)c1cc(Cl)ccc1Cl 222990679 YFMBLAKEOUIMFN-SECBINFHSA-N 421.143 4.896 0 40 HJAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1C 223426241 YIYXARRHHFHDTM-LJQANCHMSA-N 422.550 4.904 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C 223980965 VZZLGHQGMBUYLX-XMMPIXPASA-N 424.585 4.578 0 40 HJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)cc1 224198354 AVCFYKFTWMSDBA-VJBMBRPKSA-N 418.566 4.548 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 225191799 PXMUCCHPMQNBTM-HZPDHXFCSA-N 421.368 4.868 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 225590697 PVTZVIJDXAEUKE-IBGZPJMESA-N 412.549 4.824 0 40 HJAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCC(C)CC1 225669010 ZCZMPORWHKEAKF-UHFFFAOYSA-N 402.579 4.865 0 40 HJAB CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)Cc2cccc(O)c2)CO[C@H]1c1cccc(F)c1 257212908 CFKBRPMUGYMJMK-HVCNVCAESA-N 411.517 4.869 0 40 HJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3cccnc3)CC2)on1 257227641 FQFYKRKBULKJSV-IYARVYRRSA-N 419.529 4.662 0 40 HJAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)N3CCCCC3)CCOCC2)cc1 257244963 INMUUSZKWIPFNN-UHFFFAOYSA-N 411.517 4.853 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1NC(=O)c1ccccc1 408558886 UHYVGMPFEIKVFW-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2CCCC2)cc1 408623964 VVRXDJUZZPIVPQ-NYYWCZLTSA-N 401.304 4.710 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccncc1 409093953 BXOLYTZCIJOYAF-UHFFFAOYSA-N 419.913 4.519 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)c1 409115341 ITYQREXXSGTIFG-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCC 409234617 ODTQXFQTILZBEP-WOJGMQOQSA-N 414.889 4.539 0 40 HJAB O=C1Cc2cc(CCCC(=O)Nc3nc4ccccc4n3C3CCCCC3)ccc2N1 517814311 CNOHAGOZQPJKDS-UHFFFAOYSA-N 416.525 4.998 0 40 HJAB CC(=O)N1CCCCCCCN(C2CCOCC2)Cc2cc(Br)ccc21 643579386 WCNGXHKDVAULRG-UHFFFAOYSA-N 423.395 4.747 0 40 HJAB C[C@H]1CC[C@H](C(F)(F)F)CN1c1cc(N2C[C@@H](C(F)(F)F)CC[C@H]2C)ncn1 681237722 HHENBTHAADGCFO-CRWXNKLISA-N 410.406 4.811 0 40 HJAB O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)[C@@H]2CCc3ccccc3C2)c1 1537314570 DGCPRBBNKNLWNI-GOSISDBHSA-N 405.885 4.731 0 40 HJAB C[C@@]1(CO)CCCN1C(=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1 1564126621 MJWGBLDXRKVVHV-FQEVSTJZSA-N 409.313 4.842 0 40 HJAB Cc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1C 793043 MMDCVXZDJBRSOV-UHFFFAOYSA-N 421.946 4.741 0 40 HJAB COc1cc2cc([C@@H]3CC(c4ccccc4)=NN3C(C)=O)c(Cl)nc2cc1OC 1241076 NATFNDYXTFWVGX-IBGZPJMESA-N 409.873 4.603 0 40 HJAB CCCc1nc2sc3c(SCC(=O)OCC)ncnc3c2c2c1CCCC2 1306385 KYKYGJYWRAPAOB-UHFFFAOYSA-N 401.557 4.726 0 40 HJAB CCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OC 2199608 RCUPFKVWIWDNDX-QBQQZWISSA-N 420.553 4.901 0 40 HJAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cccc(Cl)c1 2451971 FNAAUHCPELQUDL-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB O=C(Nc1cccc(I)c1)c1c2c(nc3ccccc13)CCC2 2636048 XVFFWMIAQROGTO-UHFFFAOYSA-N 414.246 4.580 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CC(C)(C)NC2(C)C 3330399 PCXHHBOBCBVXRG-UHFFFAOYSA-N 400.544 4.645 0 40 HJAB COc1ccc2c(c1)-c1nc(NC(=O)c3ccc(Br)cc3)sc1CC2 3651746 KKDAAOKNEOFIOC-UHFFFAOYSA-N 415.312 4.932 0 40 HJAB CCCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O 4134072 LLEVNNVPLNGHOF-UHFFFAOYSA-N 423.582 4.522 0 40 HJAB Cc1ccc2cc(CCNC(=S)Nc3ccc(C(F)(F)F)cc3)c(=O)[nH]c2c1C 4225436 SNJWQAZDXFRZOE-UHFFFAOYSA-N 419.472 4.693 0 40 HJAB CCOc1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(Cl)cc3s2)cc1 4359652 WXQINUYFABHIEH-UHFFFAOYSA-N 417.962 4.947 0 40 HJAB CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 4715747 RDLMHPQQKYHADS-XUZZJYLKSA-N 401.466 4.731 0 40 HJAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1C1C2CC3CC(C2)CC1C3 4719401 UHWQDCVMMPXUND-IRSOHVDNSA-N 409.529 4.703 0 40 HJAB COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1cccc(F)c1 4936975 WPBSLOMXVAWXIG-UHFFFAOYSA-N 405.400 4.568 0 40 HJAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OC 6355934 ISNICHLPBDQZAQ-UMYHVIPVSA-N 414.303 4.563 0 40 HJAB CC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)n1nc(-c2cc(C)ccc2C)ccc1=O 6767314 TZCOSCVFRFKFCN-HXUWFJFHSA-N 413.880 4.909 0 40 HJAB CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccc(C)cc1C)S2 6812261 XKYLZLCGKOXZGC-LEWJYISDSA-N 421.570 4.554 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)CNC(=O)c3ccccc3Cl)n2)c(C)c1 6967436 KKJNEMWWYSOLCH-UHFFFAOYSA-N 413.930 4.757 0 40 HJAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccc(OCC(C)C)c(OC)c2)cc1F 7075424 BXYVSEOVHRTDPR-BPLPYTOXSA-N 401.478 4.768 0 40 HJAB Cc1noc(C)c1CSCC(=O)Nc1ccc2c(c1)nc(C)n2-c1ccccc1 7738405 UXBNLHALECEIJQ-UHFFFAOYSA-N 406.511 4.811 0 40 HJAB COc1cc(C)c(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1OC 8392186 XQXKMCUZAAJBOU-UHFFFAOYSA-N 402.903 4.970 0 40 HJAB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(C)CCOc1ccc(Cl)cc1 8532521 PYXAEYSQBNJGHT-CYBMUJFWSA-N 400.828 4.697 0 40 HJAB Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)ccc1Cl 8915775 AFJUEGOUQCNBGA-IBGZPJMESA-N 408.325 4.888 0 40 HJAB COc1ccc2cc(CNC(=O)c3ccc(COCC(F)(F)F)cc3)ccc2c1 9943045 CXUDZQAWFOBGMJ-UHFFFAOYSA-N 403.400 4.857 0 40 HJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)cc2)n1 11360977 KOUADFMKQDXAML-UHFFFAOYSA-N 400.438 4.587 0 40 HJAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2c1 12139796 BQFDIUWNSOEQMA-UHFFFAOYSA-N 422.531 4.543 0 40 HJAB C[C@H]1CCc2c(sc3ncnc(N[C@@H](c4ccccc4F)c4nccn4C)c23)C1 12550388 GDRMSFOPLQXULJ-DJJJIMSYSA-N 407.518 4.890 0 40 HJAB COc1ccc([C@H](NC(=O)c2oc3ccc(Cl)cc3c2C)c2nccn2C)cc1 12576161 PCKSEIMCGLWXRE-IBGZPJMESA-N 409.873 4.656 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2ccccc2Cl)cc1 12756757 HBGBRCCVVQYNKV-CQSZACIVSA-N 400.935 4.837 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(Cl)cc4)c(=O)c23)s1 12765058 UBGTXEZYENRLSX-UHFFFAOYSA-N 415.927 4.787 0 40 HJAB Cc1sc2nc(SC[C@@H]3CCCO3)n(-c3ccc(Cl)cc3)c(=O)c2c1C 12780517 VDXCSQXYXIQESD-HNNXBMFYSA-N 406.960 4.989 0 40 HJAB CC(C)CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C)C3 16575181 BFLFOCZBTYJSHI-UHFFFAOYSA-N 413.612 4.632 0 40 HJAB COc1ccccc1C(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1 16789474 MRNVMVKHDBNPQD-UHFFFAOYSA-N 416.506 4.621 0 40 HJAB CCOC(=O)C1CCN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 17170203 SQPLNXUOGFJQFR-UHFFFAOYSA-N 417.590 4.722 0 40 HJAB Cc1cc(C)cc(C2(CNC(=O)c3sc(-c4ccccn4)nc3C)CCOCC2)c1 19569556 RVRIIMAYIZLIAE-UHFFFAOYSA-N 421.566 4.609 0 40 HJAB COc1ccccc1Cc1cc(C)nc(C2CCN(C(=O)[C@H]3CC34CCC4)CC2)c1 19691741 MVJMCRAHAIHSLW-JOCHJYFZSA-N 404.554 4.886 0 40 HJAB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccccc1C 19818176 JYFGYISWWSHUJH-FGZHOGPDSA-N 419.525 4.506 0 40 HJAB CC1=CC(C)(C)N(C(=O)CN2CCN(c3ccccc3)CC2)c2cc(C)c(C)cc21 20102273 JZBURBLVHMCZDJ-UHFFFAOYSA-N 403.570 4.654 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 20459996 RXGOKAMKZHTYNU-UHFFFAOYSA-N 400.906 4.611 0 40 HJAB O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1ccc(Cl)s1 21235513 MRROJPNDRDZAOY-UHFFFAOYSA-N 413.882 4.622 0 40 HJAB CC1CCN(c2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3ccccc23)CC1 22574295 GKIRKTHCFHTDHP-UHFFFAOYSA-N 400.931 4.957 0 40 HJAB Cc1ccc(-n2cnnc2SCC(=O)N2CCC[C@H]2c2ccccc2)cc1Cl 25581534 QJVLIGCDWPSCKM-IBGZPJMESA-N 412.946 4.685 0 40 HJAB COc1ccccc1CCNC(=O)CSCc1csc(-c2ccc(F)cc2)n1 27192515 NOOFQJLDLUGQCF-UHFFFAOYSA-N 416.543 4.550 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)c3nc(C(C)C)no3)n2C)cc1 31750105 BVEDOGPGPFTSNQ-CQSZACIVSA-N 400.552 4.688 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(F)cc2cccnc12 32825180 LXLFASABXRZFBX-UHFFFAOYSA-N 405.395 4.853 0 40 HJAB CCOc1ccc(/C=C2\SC(=O)N(CNc3ccccc3F)C2=O)cc1OCC 33348747 ICEDOFRAAGFQBG-UNOMPAQXSA-N 416.474 4.729 0 40 HJAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(C(F)(F)F)c2)ccc1O 36356971 MRWBDFMZAGZBOR-CQSZACIVSA-N 403.360 4.729 0 40 HJAB O=C(COc1ccc(Oc2ccccn2)cc1)N[C@H](c1ccccc1)c1ccncc1 40060261 JJLGPIYXQJJIDA-RUZDIDTESA-N 411.461 4.554 0 40 HJAB CC(C)CCNC(=O)CSc1nccn2nc(-c3cccc4ccccc34)cc12 57511098 WFEOFSNRKBBEFJ-UHFFFAOYSA-N 404.539 4.804 0 40 HJAB COc1cc(C(=O)Nc2ccnn2Cc2cccs2)cc(Cl)c1OC(C)C 58313814 OQIMFSFNVQNXIF-UHFFFAOYSA-N 405.907 4.694 0 40 HJAB CCc1cccc(NC(=O)CSc2ncnc3nc(-c4ccc(C)cc4)ncc23)c1 62006854 NIDKEBVIOAAHIC-UHFFFAOYSA-N 415.522 4.688 0 40 HJAB O=c1c2ccccc2nc(SCc2ccc3c(c2)OCO3)n1Cc1ccc(F)cc1 67259262 PJPMJOCYPQAYOD-UHFFFAOYSA-N 420.465 4.605 0 40 HJAB Cc1ccc(-c2cc3c(N4CCN(c5ccccc5Cl)CC4)nccn3n2)c(C)c1 67285130 GLNCIZJSGSVKSS-UHFFFAOYSA-N 417.944 4.993 0 40 HJAB COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)c3ccccc3)c3nccs3)C2)c1 72341443 QCWKLVUBLXGGEI-IRLDBZIGSA-N 421.566 4.535 0 40 HJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 72346002 AEHFSOOELLJVHW-IBGZPJMESA-N 420.944 4.718 0 40 HJAB Cc1c(C(=O)N2CC[C@@H](c3c(C(N)=O)sc4ccccc34)C2)oc2c(C)cccc12 72352171 ILMBCCFIKROHDG-OAHLLOKOSA-N 418.518 4.993 0 40 HJAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(CCCOc2ccccc2F)C1 72352261 HZUIFJCHBPWMSV-INIZCTEOSA-N 412.530 4.658 0 40 HJAB O=C(CN1[C@H]2CC[C@H]1CC(O)(c1ccccc1F)C2)Nc1cccc(Cl)c1Cl 100457043 IMEYQTUOBKQKSG-KBPBESRZSA-N 423.315 4.586 0 40 HJAB C[C@H](NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100562765 BDPXPHSMMKFMCJ-DGAVXFQQSA-N 418.419 4.563 0 40 HJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)Cc3cccc(F)c3)CC2)n1 100738835 SBTXHQHVUXKBGS-RVWIWJKTSA-N 418.516 4.619 0 40 HJAB Fc1cccc(Cl)c1[C@H]1C=C(c2cccc(Br)c2)Nc2ncnn21 101100312 MRKFWWYKNVPQMH-OAHLLOKOSA-N 405.658 4.889 0 40 HJAB CC(C)Oc1cccc(CNC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1 219465581 COPSURMAJGDWCV-UHFFFAOYSA-N 402.494 4.684 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccccc3C)c2)c1 223952788 MRUWNDIPGYQCKQ-SFHVURJKSA-N 408.523 4.595 0 40 HJAB COc1cc(C)c(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1C(C)C 224547603 WKTVTVMFXNIXHD-UHFFFAOYSA-N 417.556 4.755 0 40 HJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 224628443 YJOIPMXHRKGEOH-VWLOTQADSA-N 416.565 4.758 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 224975370 NGQDLLFPGIJISQ-WOJBJXKFSA-N 412.599 4.560 0 40 HJAB COc1ccc(/C=C(/C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2)cc1 224981754 ORLYSFRWVOYUNR-NCELDCMTSA-N 414.505 4.711 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 225051271 FBSIHEBYMVFUGK-ZWKOTPCHSA-N 400.950 4.523 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 225094610 YHGJIAQFCWCULV-PMACEKPBSA-N 412.599 4.728 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 225164996 LTYFBOOBMJEKSY-JTMDUIFQSA-N 424.497 4.544 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)cc1 225170595 KJQWOVLHVNHSMP-LJQANCHMSA-N 410.533 4.543 0 40 HJAB Cc1ccccc1-c1noc(CN(C)C(=O)CCc2ccc(Cl)c(Cl)c2)n1 225341140 WOYKCHDVROKBTG-UHFFFAOYSA-N 404.297 4.943 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225566969 UNZIFTNIJNCZTR-SFHVURJKSA-N 400.950 4.523 0 40 HJAB COc1cc(C)c(CN2CCC(c3cncc(Nc4ccccn4)n3)CC2)c(C)c1C 257302211 SBZCOGPFDZVCLM-UHFFFAOYSA-N 417.557 4.929 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(F)cc2)cc1 408697190 FUDSWLOROAYTMK-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB CN(C)CCOc1ccccc1NC(=O)C[C@@H](c1ccc(Cl)cc1)n1cccc1 524732393 YSCCJGRJYAYBOK-NRFANRHFSA-N 411.933 4.700 0 40 HJAB CC1(C)CCCN1C(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 590592834 NLIPIFJWHCMMIB-UHFFFAOYSA-N 414.431 4.968 0 40 HJAB O=C(Nc1ccc(OC(F)(F)F)cc1Cl)c1ccn(-c2ccc(F)cc2F)n1 1533557779 VMIPZYYIBDEINC-UHFFFAOYSA-N 417.721 4.955 0 40 HJAB Cc1nccc(NCc2cccc(C(=O)N3[C@@H](C)Cc4cc(F)ccc4[C@@H]3C)c2)n1 1596409107 INEAAMOBFKFNJY-HOTGVXAUSA-N 404.489 4.684 0 40 HJAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3nc(-c4ccc(F)cc4)cs3)ccc12 935681 GLAXMOZXSLJIOD-CYBMUJFWSA-N 424.453 4.770 0 40 HJAB O=C(Oc1ccc(Br)cc1)c1ccc(NC(=O)c2cccs2)cc1 990914 LXADKBXGGXHYQW-UHFFFAOYSA-N 402.269 4.982 0 40 HJAB CCn1nc(NC(=O)c2ccccc2Br)c2cc3cccc(C)c3nc21 2399867 WTKVZOXDHRVJEN-UHFFFAOYSA-N 409.287 4.928 0 40 HJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1C 2634757 SEBVAHKANOKNSG-UHFFFAOYSA-N 416.399 4.920 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C(C)C)cc1 2713489 APMBRDNFASDMRB-UHFFFAOYSA-N 407.495 4.763 0 40 HJAB C[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(Cl)c(Cl)c1 3114993 NROYTTGCZJBNHG-SECBINFHSA-N 420.123 4.849 0 40 HJAB CC(=O)Nc1ccc(OCC(=O)c2cc(C)n(CCc3ccc(F)cc3)c2C)cc1 3336953 CCMAVJITDDIFLM-UHFFFAOYSA-N 408.473 4.707 0 40 HJAB CN(CC(=O)Nc1ccc(Br)cc1F)Cc1ccc(C(F)(F)F)cc1 3433271 VXVCXJCUBIKIOE-UHFFFAOYSA-N 419.216 4.678 0 40 HJAB COc1ccc2c(c1)Cc1sc(NC(=O)c3cccc(Br)c3)nc1-2 3651700 YNELWNRWAFMXHU-UHFFFAOYSA-N 401.285 4.738 0 40 HJAB aggregator COc1ccc(OC)c(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c1 4090026 DHKQHGFZGKARCG-UHFFFAOYSA-N 421.449 4.663 0 40 HJAB biogenic COCCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nnc1-c1cccc(C)c1 4444716 LIYIPOYVGKNIDR-UHFFFAOYSA-N 424.570 4.628 0 40 HJAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)NCc1cccs1 4463068 CAUUNDXKSGPCEX-UHFFFAOYSA-N 409.511 4.906 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4482412 BCPFHFTYCQVWBK-IOWHJBRQSA-N 409.294 4.578 0 40 HJAB CCc1cc2cccc(C)c2nc1SCC(=O)NCCc1ccc(OC)c(OC)c1 4849281 OJBAZCPVXSMUKJ-UHFFFAOYSA-N 424.566 4.574 0 40 HJAB C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccccc1-c1ccccc1 4924060 XQCBPJXQUUNUKI-HNNXBMFYSA-N 404.495 4.861 0 40 HJAB CCn1c(S[C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)nc2ccccc21 5267657 YGZPZKBJFMKJAZ-LJQANCHMSA-N 411.502 4.509 0 40 HJAB CCOc1ccc(C(=O)C[C@H](Sc2ccc(Br)cc2)C(=O)O)cc1 5408549 SZFNUOZHMOASOL-KRWDZBQOSA-N 409.301 4.666 0 40 HJAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1ccc(C2CCCCC2)cc1 5679829 OXMHZXMGOGWCMM-DEOSSOPVSA-N 422.550 4.762 0 40 HJAB Cc1cccc(-n2c(C)nnc2SCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 5898651 BGEULRNCUYQDJF-NSISKUIASA-N 401.576 4.980 0 40 HJAB O=C(COC(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1)Nc1ccc(F)cc1 5938684 BEMFXOBTPGMCPL-IAGOWNOFSA-N 412.486 4.891 0 40 HJAB CCCOc1cccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)c1 6324693 YXVUJPDJOZWTBO-UHFFFAOYSA-N 407.499 4.511 0 40 HJAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)/C=C/c1cccs1 6602229 WDHCUYSUZQQPOW-FNORWQNLSA-N 402.825 4.531 0 40 HJAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)CCc2ccccc2)c(OC)c1 6642104 LXBRFSSHLGAUPU-RCXJIHSJSA-N 423.553 4.531 0 40 HJAB biogenic Cc1ccc(N2C(=O)N(Cc3ccccc3C)c3ccccc3S2(=O)=O)c(C)c1 7615992 TUMJYJHDHPHTRB-UHFFFAOYSA-N 406.507 4.947 0 40 HJAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1 7882528 VQXWMCIJRYASMX-INIZCTEOSA-N 415.331 4.620 0 40 HJAB COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1 9135325 NENRPFFTSLMAMI-UHFFFAOYSA-N 402.450 4.567 0 40 HJAB Brc1ccc(C2=Nn3c(CSc4ccccc4)nnc3SC2)cc1 9355914 ZQIAWDLXHXRMCN-UHFFFAOYSA-N 417.357 4.691 0 40 HJAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)cc4)cc(=O)c3c2)cc1 9660139 DISRAAKZWOLJSB-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB biogenic CCCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccncc1 9813000 HUYMHJKKBPWHNQ-UHFFFAOYSA-N 422.341 4.788 0 40 HJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccccc2Cl)cc1 11117048 ZUZALZQOZIDTNT-VQTJNVASSA-N 413.930 4.856 0 40 HJAB Cc1cc(C(=O)OCC(=O)c2ccc(Br)s2)c(C)n1Cc1ccco1 12582258 LVENYVIQJSJVTE-UHFFFAOYSA-N 422.300 4.610 0 40 HJAB Cc1cnc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cn1 12778090 ROWZVEVVEPHFKZ-UHFFFAOYSA-N 404.470 4.895 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)cc1 13842131 FYFFGJAHISMPLG-UHFFFAOYSA-N 424.570 4.811 0 40 HJAB CC(C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 13944739 RKKXARNTYYSJSB-QGZVFWFLSA-N 423.944 4.974 0 40 HJAB CCCCOc1ccccc1-c1cc(-c2nc(-c3ccc4c(c3)OCO4)no2)[nH]n1 15732375 DEAXNVSZOIWTHO-UHFFFAOYSA-N 404.426 4.701 0 40 HJAB CCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)ccc12 16042655 GNMYJEJIIMYQDP-LJQANCHMSA-N 417.502 4.509 0 40 HJAB biogenic Cc1cc(C)c(O)c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 17087417 YMWSQDMPVCDHDN-UHFFFAOYSA-N 406.507 4.715 0 40 HJAB CC1=CC(C)(C)N2C(=O)[C@@]3(S[C@@H](C)C(=O)N3c3ccc(F)cc3)c3cc(C)cc1c32 17093152 HQDGNQITBQJHIH-OWJWWREXSA-N 422.525 4.998 0 40 HJAB O=C(CCc1ccccc1F)N[C@@H]1CCCc2c1cnn2Cc1ccccc1Cl 19348653 ZZVVUHAIUJUDCJ-OAQYLSRUSA-N 411.908 4.850 0 40 HJAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)Cc2cccc(F)c2)n1 19525656 LWTSTEALOSYDCI-FQEVSTJZSA-N 422.504 4.746 0 40 HJAB O=C(c1cccc2cccnc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22069647 ASJWDCAJXFCDFU-UHFFFAOYSA-N 407.517 4.782 0 40 HJAB COc1ccccc1NC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 22507635 ZRKWHLCBPFKBQX-UHFFFAOYSA-N 401.466 4.819 0 40 HJAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 22666533 GILNCFRMWWKFCP-UHFFFAOYSA-N 420.534 4.643 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)CC1 25048165 VQKPFGKGGPUEBB-UHFFFAOYSA-N 415.324 4.654 0 40 HJAB Cc1ccc(-c2csc(CC3=NC(=O)[C@@H](CC(=O)Nc4ccccc4)S3)n2)cc1 25065439 UMJQAITVKIBHLS-GOSISDBHSA-N 421.547 4.730 0 40 HJAB O=C(c1nc(-c2ccc(F)cc2)n2c1CCCCC2)N1CCC[C@H]1c1ccncc1 25094395 XZQGFVZAUAAGOG-FQEVSTJZSA-N 404.489 4.788 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)O[C@@H](C)C(=O)c2ccc(C)c(C)c2)no1 26583443 GJSKCYQNPLUOOI-INIZCTEOSA-N 410.495 4.715 0 40 HJAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)N1c2ccccc2C[C@H]1C 27936299 UILHEPQBGOOTCK-MWLCHTKSSA-N 416.241 4.512 0 40 HJAB O[C@@H](COc1ccccc1)Cn1c(Cc2nc3ccccc3s2)nc2ccccc21 32932975 MLXLQRROKJHFOX-QGZVFWFLSA-N 415.518 4.677 0 40 HJAB c1ccc2cc(Oc3nc(CN4CCOCC4)nc4sc5c(c34)CCC5)ccc2c1 33012212 QRFOWNJYJWRMSV-UHFFFAOYSA-N 417.534 4.958 0 40 HJAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4c3oc3ccccc34)C2)cc1C 33169569 AVRLEJXBRIYORF-QGZVFWFLSA-N 400.482 4.848 0 40 HJAB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2)NC1CC1 33715993 XVAZLIFYXAMQAX-SQFISAMPSA-N 418.518 4.609 0 40 HJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875029 HYZFLLQDTAYDHF-FQEVSTJZSA-N 402.538 4.909 0 40 HJAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1 49547718 VUEWTTXIFSCBMU-QGZVFWFLSA-N 410.861 4.521 0 40 HJAB Cc1ccc(-c2nnc(SCc3csc(-c4ccc(C(N)=O)cc4)n3)o2)cc1 52889369 CCMXQUIFSXLNIW-UHFFFAOYSA-N 408.508 4.560 0 40 HJAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 58146697 ZGZSOKCJWBOTEQ-ZDUSSCGKSA-N 412.748 4.796 0 40 HJAB C=Cc1ccc(Cn2nc3c4cc(-c5ccc(C(C)C)cc5)nn4ccn3c2=O)cc1 67260563 VCENQHDQNXFKLW-UHFFFAOYSA-N 409.493 4.625 0 40 HJAB CCN(C(=O)Nc1ccc(NC(=O)OC)cc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 79067820 SAMLGIHCWFIGND-UWJYYQICSA-N 410.518 4.554 0 40 HJAB O=C(NCc1ccc(C(=O)c2cccs2)s1)c1ccc(OC(F)(F)F)cc1 90610588 TXJDCGJRNHXVPM-UHFFFAOYSA-N 411.426 4.869 0 40 HJAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCCN2Cc2ccccc2F)C1 96071329 MNSAMNRYRMNDDJ-QHCPKHFHSA-N 400.925 4.679 0 40 HJAB O=C1/C(=C\Nc2nccs2)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 102319795 OKFAGDBERVWHSX-KAMYIIQDSA-N 415.396 4.802 0 40 HJAB C[C@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219050804 OCLRHYFWHHJVHS-HNNXBMFYSA-N 421.884 4.969 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)c1 223791421 RJNUBUCTHOVOOG-NRFANRHFSA-N 406.570 4.630 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCC3CCCCC3)ccc2C)c1 223951644 FVPLANIZPUWVPL-UHFFFAOYSA-N 414.571 4.723 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1 225006304 OKJATKQJKAXUOM-DEOSSOPVSA-N 406.570 4.876 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 225074879 SLVBBIJHIRCYEL-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 225094516 NSMHVGBNEOBJNV-HSZRJFAPSA-N 424.585 4.697 0 40 HJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3C)no2)c1 225197211 OQYFWYBRWNHXHL-GOSISDBHSA-N 407.514 4.903 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 225200095 FHYCNVKHEGHYJM-RTBURBONSA-N 414.977 4.831 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)c1 225382173 SFCHFCCVNPFWIT-UHFFFAOYSA-N 413.905 4.859 0 40 HJAB CCOC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@H](C)C3)cc2)CCC(C)CC1 225720435 MRTGBXOUENEFRR-HRZAVBMWSA-N 416.606 4.967 0 40 HJAB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cc1C(=O)OCC 225853994 UWGNPXJGQOTEQT-GAJHUEQPSA-N 405.535 4.966 0 40 HJAB Cc1cc(N)c(NC(=O)c2cccc(Br)c2)cc1N1CCC[C@H](C)C1 226330238 SJAMLPFEMZPIMZ-ZDUSSCGKSA-N 402.336 4.828 0 40 HJAB Cc1nccn1-c1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)cc1 257218360 DCVVIJQKMDYUBQ-CGYAQOIHSA-N 421.585 4.835 0 40 HJAB Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1S(=O)(=O)N1CCCCC1 408557741 OPMAPAHOZJBRNE-UHFFFAOYSA-N 408.523 4.575 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccccc3)cc2)c1 408702359 DXGXYHQLHPYRJT-UHFFFAOYSA-N 424.522 4.594 0 40 HJAB COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C(C)c1ccccc1 409368256 VZVSHZDOUQOCML-FHQLIMNDSA-N 405.881 4.744 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2C)cc1C 409410327 MLFLNVXOJVNBIY-UHFFFAOYSA-N 412.486 4.804 0 40 HJAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCc3oc(-c4ccccc4)cc3C2)C1 1628655760 BTKCCZGIWSTTNU-UYAOXDASSA-N 424.541 4.915 0 40 HJAB O=C(NC1CCCCCC1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 640112 VJVMANVYODEASE-VWLOTQADSA-N 422.594 4.956 0 40 HJAB O=C(NC(=S)Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(Cl)cc1 677245 KOZXONKIDYQQRA-UHFFFAOYSA-N 415.946 4.529 0 40 HJAB C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl 713025 XPZUYZOFOVOVOT-QGZVFWFLSA-N 422.912 4.719 0 40 HJAB Cc1cccc2cc(CN(C(=O)c3cccs3)C3CCCCC3)c3nnnn3c12 1376741 VGEMUNOETZWELT-UHFFFAOYSA-N 405.527 4.623 0 40 HJAB O=S(=O)(Cc1cc(Oc2ccccc2)nc(-c2ccccc2)n1)c1ccccc1 1383060 DESWIWBVKGLPQF-UHFFFAOYSA-N 402.475 4.910 0 40 HJAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(N[C@H](C)COC)ncnc32)cc1 1447757 HJCSKPBOUVUPRL-QGZVFWFLSA-N 402.498 4.933 0 40 HJAB O=C1OC(c2ccccc2Br)=N/C1=C/c1ccc(Br)cc1 1505916 YRIIFYWHMUBURX-NTEUORMPSA-N 407.061 4.556 0 40 HJAB Cc1cc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)ccc1Br 2446593 GDSQMNGBZQUAOM-UHFFFAOYSA-N 400.272 4.837 0 40 HJAB O=C(NCc1ccc(F)cc1)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F 2474765 HSFCFYUEVFVHPG-HOCLYGCPSA-N 424.423 4.674 0 40 HJAB Cc1cccc(NC(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1C 3231751 TVYJQMFUXBRNTB-UHFFFAOYSA-N 416.688 4.824 0 40 HJAB CC(C)(C)C(=O)NCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1 4385660 PUVGHCFOESBZFT-UHFFFAOYSA-N 413.949 4.864 0 40 HJAB O=C(c1cccc(Cl)c1)n1nc(NCc2ccccc2)nc1NCc1ccccc1 4723811 AEABPXNJZGZSOX-UHFFFAOYSA-N 417.900 4.844 0 40 HJAB COc1cc(CNCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1 5019762 YUBNYNWPWOPUJS-UHFFFAOYSA-N 411.885 4.946 0 40 HJAB CC(=O)N1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 5278611 UNZKSPWXVBJLAE-OAQYLSRUSA-N 409.917 4.531 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 7639892 BAKFDFQLYCCYMN-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CC(C)[C@@H](NC(=O)/C=C/c1ccc(Br)o1)c1ccc2c(c1)OCCCO2 7981208 CWUKQLVUAQDLSL-AQDCRGGLSA-N 420.303 4.730 0 40 HJAB Cc1n[nH]c2c1[C@H](c1ccccc1Cl)N(c1ccc(Br)cc1)C2=O 8024903 QNCGVQYTUPXGLL-KRWDZBQOSA-N 402.679 4.884 0 40 HJAB COc1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1OC 8086338 NFDHULLTSQSCBN-CSKARUKUSA-N 408.523 4.733 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)o1 8277640 NNJFFYAWHBGIHZ-SFHVURJKSA-N 411.508 4.697 0 40 HJAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)Nc1ccc(Cl)cc1 8410359 RKNASFSNFRYVSY-UHFFFAOYSA-N 403.935 4.922 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(F)cc2)N1Cc1cccnc1 9293589 PSHFICVKAJQRQR-HXUWFJFHSA-N 420.827 4.726 0 40 HJAB CC(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)cc1 11614663 OPGGBQURKXEUAU-NRFANRHFSA-N 424.928 4.677 0 40 HJAB Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1 12224267 JWXDICQIXRHERP-UHFFFAOYSA-N 423.904 4.585 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)Cc1ccc(Cl)cc1Cl 12754326 CCMMXSJDARWIKE-UHFFFAOYSA-N 416.308 4.637 0 40 HJAB Fc1ccc(N2CCN(c3nc(-c4ccccc4)cc(C(F)(F)F)n3)CC2)cc1 12845903 XVNKHANBSZCZNP-UHFFFAOYSA-N 402.395 4.628 0 40 HJAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 13694895 CDAOJCKOXXUQAM-UHFFFAOYSA-N 412.898 4.622 0 40 HJAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc(C)c3)n2C)cc1 13871291 ODOFSAQHVSAPRH-MRXNPFEDSA-N 410.543 4.557 0 40 HJAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)cc1 13871292 CPEPLKMECIRFHQ-KRWDZBQOSA-N 424.570 4.865 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccccc1SC[C@H]1CCCO1 14083675 JAYKVAOMKSPWPJ-HXUWFJFHSA-N 421.566 4.690 0 40 HJAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 14329344 LZVDGALHUYDTPJ-UHFFFAOYSA-N 405.416 4.572 0 40 HJAB CCc1nc(SCC(=O)Nc2cc(OC)ccc2OC)c2c(C)c(C)sc2n1 15935806 RMVXOBHHPDYJDN-UHFFFAOYSA-N 417.556 4.619 0 40 HJAB CC(=O)N1N=C(c2ccccc2)Sc2c1nc(-c1ccc(Cl)cc1)n2C(C)=O 16777579 NSPGSKCKJQUORX-UHFFFAOYSA-N 410.886 4.684 0 40 HJAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(Nc3ccc(F)c(Cl)c3)S2)cc1C 17043614 KWEIWQRVHZNWEL-INIZCTEOSA-N 405.882 4.535 0 40 HJAB Clc1ccc(Nc2nc(NC[C@@H]3CCCO3)nc3c2cnn3-c2ccccc2)cc1 17200421 LWSWWCPNBLYBCL-SFHVURJKSA-N 420.904 4.803 0 40 HJAB O=c1c2ccccc2nc(SC[C@@H]2CC2(Cl)Cl)n1-c1ccc(F)cc1F 18763222 UJMOBWSSZXSFMX-JTQLQIEISA-N 413.276 4.950 0 40 HJAB COc1ccc2cnc(C3CCN(CC(=O)c4sc(C)nc4C)CC3)cc2c1C 19582760 QESASUUTAZHCAO-UHFFFAOYSA-N 409.555 4.687 0 40 HJAB Clc1ccccc1-c1nnc([C@@H](NCc2ccc3c(c2)OCO3)c2ccccc2)o1 20509703 PTYPKZRIOKTWAZ-NRFANRHFSA-N 419.868 4.998 0 40 HJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)Nc1ccc2c(c1)OCO2 22504566 QSMVTZFVARYZQW-UHFFFAOYSA-N 421.478 4.714 0 40 HJAB Cc1ccc(SCCNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 24148143 PEOBWGHHLJXJKY-UHFFFAOYSA-N 423.504 4.534 0 40 HJAB Cc1ccc(-n2cnnc2SCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 24865705 RIJNLWATXHOQIC-CYBMUJFWSA-N 421.353 4.852 0 40 HJAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](c2ccsc2)N(C)C)o1 25329437 PRJKANJDDZUJFY-HXUWFJFHSA-N 420.538 4.535 0 40 HJAB CC[C@@H](C)c1ccc([C@H](NC(=O)CCc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 26391005 CKHUIVLMMMWKLF-MZNJEOGPSA-N 405.542 4.883 0 40 HJAB Cc1cccc(OCc2ccc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)o2)c1 28230453 FHWYYSWKPWLIGW-UHFFFAOYSA-N 405.429 4.803 0 40 HJAB O=C(NCc1cccc(COCc2ccccc2)c1)c1ccc(C(F)(F)F)nc1 32925149 LFLNWORRSIIODR-UHFFFAOYSA-N 400.400 4.747 0 40 HJAB O=C(O)CCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 33246299 UIZUUVXQIBFHTF-OOKCMDACSA-N 424.447 4.953 0 40 HJAB Cc1ccccc1[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 38752997 FPYPLFCLHWKUGP-GOSISDBHSA-N 422.369 4.887 0 40 HJAB O=C(c1ccccc1F)N1N=C(c2ccsc2)C[C@H]1c1ccc2nccnc2c1 39563659 WJJIRQIVUDOWNM-NRFANRHFSA-N 402.454 4.822 0 40 HJAB O=C(CCc1cccc(Cl)c1Cl)NCCc1nccn1Cc1ccccc1 40093901 ZVONABMYLCZRMT-UHFFFAOYSA-N 402.325 4.530 0 40 HJAB Cc1ccc2c(C(=O)Cn3nc(-c4ccc(Cl)cc4)ccc3=O)c(C)n(C)c2c1 40268191 UJUMTNUVCVVEOJ-UHFFFAOYSA-N 405.885 4.555 0 40 HJAB Cc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c(OCC(F)(F)F)c1 65871507 AKWSANHGPMHYFV-UHFFFAOYSA-N 403.404 4.991 0 40 HJAB FC(F)(F)c1cc(Oc2ccc3cc(Br)ccc3c2)n2ncnc2n1 71948155 HGWHVWJRIOMRCH-UHFFFAOYSA-N 409.165 4.851 0 40 HJAB Cc1cccc(CC(=O)N2CCC[C@H](c3nnc(-c4nccc5ccccc45)o3)C2)c1 72390131 SNJIWTBWTNEAJO-FQEVSTJZSA-N 412.493 4.542 0 40 HJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95951872 QHVAINGMAZCHAH-FUHWJXTLSA-N 424.715 4.787 0 40 HJAB CC(C)CNC(=O)C[C@@H]1CC2(CCN(C(=O)CC(C)(C)C)CC2)Oc2ccccc21 96243361 ANAVULVTMJYTGO-LJQANCHMSA-N 414.590 4.512 0 40 HJAB Cc1cccc(-c2nn3c(N4CCN(Cc5ccccc5)CC4)cc(C)nc3c2C)c1 96766514 UMGVVZGMRCZOQC-UHFFFAOYSA-N 411.553 4.644 0 40 HJAB Cc1ccc(Oc2ccc(NC(=O)Nc3ccn(CCc4ccncc4)n3)cn2)cc1 97117571 JHKIQEZTTGYGAW-UHFFFAOYSA-N 414.469 4.661 0 40 HJAB C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1=O 103344534 NZJSGNCXVPMDHQ-POAQFYNOSA-N 419.550 4.570 0 40 HJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc(OC)c(OC)c1 219690611 AFCOGAFOQFGFES-SUMWQHHRSA-N 422.319 4.501 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1cccnc1 222907720 LYXPKHFAEPVAAB-DHIUTWEWSA-N 419.598 4.572 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 223807237 CASZIJRILFOZTJ-SFHVURJKSA-N 412.961 4.667 0 40 HJAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 223904044 MNRSDNYCAVSFDB-FGZHOGPDSA-N 405.571 4.707 0 40 HJAB CCC1(CC)C[C@@H](NC(=O)CN2C(=O)c3cccc4cccc2c34)c2ccccc2O1 224072323 DNFPQEMWLZHMIN-HXUWFJFHSA-N 414.505 4.999 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 224508713 RDZVXKXXMJPTSB-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc(Cl)cc3)o2)c(OC)c1 224873400 ZEOFLWOIFRDVQS-CQSZACIVSA-N 414.889 4.822 0 40 HJAB CCOC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225055820 UHUVJIJMSNSTNQ-UHFFFAOYSA-N 417.914 4.560 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 225132208 GCWYATQPORQAQX-NRFANRHFSA-N 400.950 4.525 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 225283733 PWDYQNPMHNKBAZ-JKSUJKDBSA-N 421.368 4.868 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 225454347 CFCFMQXLDMPZOQ-KRWDZBQOSA-N 418.990 4.515 0 40 HJAB C[C@](Cc1cccc(F)c1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 231687068 YEBXKZJYYWUHHK-RUZDIDTESA-N 419.452 4.750 0 40 HJAB O=C(c1cccc(-c2cncnc2)n1)N1CCC[C@@H](Cc2cccc3ncccc23)CC1 257210695 BVSUCHIPDSXQPU-LJQANCHMSA-N 423.520 4.572 0 40 HJAB CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 257213769 CJALHDUETIJAIH-HYBUGGRVSA-N 418.581 4.605 0 40 HJAB O=C(COc1ccccc1F)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257327144 XADKTQKVSSNQCX-HXUWFJFHSA-N 412.436 4.676 0 40 HJAB O=C(NCC(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408706584 BXGRKQFRHCYMSX-FQEVSTJZSA-N 418.924 4.641 0 40 HJAB CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCCCC1 409000764 FVDICBUDDQYVJG-NRFANRHFSA-N 413.562 4.833 0 40 HJAB CCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 409359307 NUNAARGTZWGLLV-UHFFFAOYSA-N 422.550 4.930 0 40 HJAB COc1cc2c(cc1OC)[C@@H](NC(=O)[C@H](C)c1ccc(C[C@@H]3CCCC3=O)cc1)CC2 524732343 QHCBMIKLZYFYHU-BUVFEPMLSA-N 421.537 4.523 0 40 HJAB CO[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2)cn1)c1ccccc1Cl 1127012204 NKSZORVVBDQUFU-FQEVSTJZSA-N 400.837 4.784 0 40 HJAB CCN(CC)c1ccc2cc(-c3nnc(Nc4ccc(OC)cc4)s3)c(=O)oc2c1 856305 VJDHOEITSSWHDK-UHFFFAOYSA-N 422.510 4.910 0 40 HJAB biogenic C[C@H]1CCCN(C(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)C1 901285 ITIATIJEYFMHCY-KBPBESRZSA-N 409.477 4.902 0 40 HJAB O=C(CN1CCCCC1)c1ccc(-c2ccc(C(=O)CN3CCCCC3)cc2)cc1 1699484 HEEMERDFOBAECZ-UHFFFAOYSA-N 404.554 4.691 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccco2)N1c1nc2ccc(F)cc2s1 2198370 KPIUBBYOKAOPSM-GOSISDBHSA-N 418.405 4.885 0 40 HJAB CC[C@@]1(C)Cc2ccccc2-c2c1c(=O)n(CCc1ccccc1)c1ncc(S)n21 2439902 GBIKHOAJAFLWEL-VWLOTQADSA-N 415.562 4.918 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 3041232 MABBYSFQDFOZIK-UHFFFAOYSA-N 409.219 4.734 0 40 HJAB FC(F)Sc1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 3256869 QKRVEZZZFCITOP-UHFFFAOYSA-N 407.555 4.952 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)cc1 3325849 AXPNPRXWVFYUGR-UHFFFAOYSA-N 403.410 4.622 0 40 HJAB CCCCCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(OCC)cc3)ccc2c1=O 3631156 MVXMXZUGLVZIHY-UHFFFAOYSA-N 411.527 4.900 0 40 HJAB Cc1ccc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)CSC3)cc1C 4224497 YHHKXLKCGSDJKJ-UHFFFAOYSA-N 417.490 4.595 0 40 HJAB COc1cccc2sc(N(CCCN(C)C)C(=O)c3cccc(Cl)c3)nc12 4359728 BZKZMZFHJDDVMK-UHFFFAOYSA-N 403.935 4.557 0 40 HJAB Cc1ccc(C(=O)N(C(=O)c2ccc(C)cc2Cl)C2=NCCS2)c(Cl)c1 4550439 PWKJYJHWOBSYKY-UHFFFAOYSA-N 407.322 4.996 0 40 HJAB COc1ccc(-c2cc3nccc([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n3n2)cc1 5007088 XZOUUKABMVDPDR-QGZVFWFLSA-N 408.502 4.519 0 40 HJAB Nc1nc2sc3c(c2c2nnc(SCc4ccccc4Cl)n12)CCCC3 5100806 IQUZNVJVYXBAPU-UHFFFAOYSA-N 401.948 4.746 0 40 HJAB C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 5119280 ZGKOTWYZWLVFKE-IBGZPJMESA-N 401.510 4.629 0 40 HJAB O=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl)c1ccco1 5235800 BIJILSBVADVRIJ-UHFFFAOYSA-N 414.292 4.957 0 40 HJAB CCCCCn1c(N)c(S(=O)(=O)c2cc(C)ccc2C)c2nc3ccccc3nc21 5252801 WSIPWKKJINGUIP-UHFFFAOYSA-N 422.554 4.807 0 40 HJAB Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1C1CCCCC1 5959697 CBYZHYFMDDHOQP-UDWIEESQSA-N 405.498 4.562 0 40 HJAB CCOc1ccccc1/C=C/C(=O)OCC(=O)Nc1ccccc1-c1ccccc1 6006872 OLWIBVBYCCGXNU-WUKNDPDISA-N 401.462 4.947 0 40 HJAB COc1ccc(-c2cc(OC(=O)c3cccc(OC)c3)cc3sc(=O)oc23)cc1 6809678 OHSXXTVWUFNJRQ-UHFFFAOYSA-N 408.431 4.758 0 40 HJAB CCOc1ccc(-c2cc(NC(=O)c3noc4c3CCCCC4)on2)cc1OCC 7000108 NGRIKUCGXMEIRL-UHFFFAOYSA-N 411.458 4.648 0 40 HJAB CCN(CC)C(=O)[C@@H](Sc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1 7114353 BHFZWYWSZWNSCN-FQEVSTJZSA-N 409.555 4.679 0 40 HJAB COc1ccc(C(=O)[C@H](C)Sc2nnc([C@H](C)Oc3ccccc3F)o2)cc1 7137642 PMFDEGVZSIRZBL-STQMWFEESA-N 402.447 4.721 0 40 HJAB CCc1nnc(S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)O)[nH]1 7342503 AVLGRVMIIVPOQO-LCYFTJDESA-N 407.904 4.983 0 40 HJAB O=C([C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1)N1CCCCC1 7861762 KVUKWMQRNLHKKS-NRFANRHFSA-N 419.550 4.577 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1C 7928005 SFHPNDSYJMILFI-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB CSc1ccc(CN(C)C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 7986489 HHARQDIGGKQPPQ-UHFFFAOYSA-N 420.534 4.589 0 40 HJAB CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(NC(=O)c2cccs2)c1 8193672 VZFVTBXUPDRYGO-UHFFFAOYSA-N 419.550 4.873 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cc2ccccc2o1 8784795 ZBQDOXOESNEBQK-UHFFFAOYSA-N 414.437 4.720 0 40 HJAB Cc1ccc(CNC(=O)COc2ccc(Cl)cc2C(=O)Nc2ccccc2)cc1 10278429 DMKYSWCFDGHIQT-UHFFFAOYSA-N 408.885 4.596 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2csc(-c3cccs3)n2)c1 12616205 VZOXELNPUFIWEI-MRXNPFEDSA-N 400.525 4.866 0 40 HJAB Cc1nc(C)c(-c2nn(CN(C)CCOc3ccc(Cl)cc3)c(=S)o2)s1 12897566 BSRGARPPZRPVQG-UHFFFAOYSA-N 410.952 4.568 0 40 HJAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1I 13004472 IAKSMLKDECTBAA-INIZCTEOSA-N 411.670 4.826 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)s1 13014813 OCWPAFHOTQRHCO-MRXNPFEDSA-N 414.552 4.691 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 15882849 WGRIGWWCIRDDHH-UHFFFAOYSA-N 424.781 4.960 0 40 HJAB O=C(NCc1cccc(F)c1)C1(Cc2ccccc2-c2ccncc2)CCOCC1 19348533 FMZJKDBGNYUABL-UHFFFAOYSA-N 404.485 4.543 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2ccccn2)C1 19449560 WFUPEHJVMOGTTL-VWLOTQADSA-N 419.594 4.770 0 40 HJAB Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN2Cc2c(C)[nH]c3ccc(F)cc23)n1 19690964 FZDWAVUWWJSURD-QHCPKHFHSA-N 416.504 4.695 0 40 HJAB CCCCOc1ccc([C@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)cc1OC 20633495 HRAXPZJSFBELRG-QFIPXVFZSA-N 421.497 4.686 0 40 HJAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(Cc2ccsc2)CC1 23956256 RBLVIIYEGHMVNW-UHFFFAOYSA-N 403.507 4.514 0 40 HJAB CC(C)c1ccc(-c2nc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)cs2)cc1 24765488 XDNNVKBHYPUBNS-UHFFFAOYSA-N 408.523 4.977 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)c(Cl)c1 24929100 NQTTYKIAVLVKPA-ZDUSSCGKSA-N 406.313 4.868 0 40 HJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccnn1Cc1cccc(Cl)c1 24976057 DZIONAIRFTUOTO-UHFFFAOYSA-N 406.873 4.729 0 40 HJAB COc1ccccc1C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@@H]1c1ccccc1 28048101 YOWKWORCAWMAIB-QFIPXVFZSA-N 406.869 4.533 0 40 HJAB CC(C)n1ncc2c(C(=O)N3CCn4c3nc3ccccc34)cc(-c3ccccc3)nc21 30661224 RYTLFCQUVDOZMX-UHFFFAOYSA-N 422.492 4.689 0 40 HJAB COc1ccc(-c2nc(CS[C@H](C)C(=O)NCc3cccs3)cs2)cc1 31413634 DGTBMCZLVFFPRC-CYBMUJFWSA-N 404.582 4.818 0 40 HJAB COc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2c(C)cc(C(C)(C)C)cc2C)cc1 32796801 RXYJWHXQYBXYSN-QGZVFWFLSA-N 417.571 4.552 0 40 HJAB COc1cc(NC(=O)c2csc(Nc3cccc(Cl)c3)n2)cc(OC)c1OC 36704639 VJPPNHHKMDJQBK-UHFFFAOYSA-N 419.890 4.818 0 40 HJAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 40104026 MQQQADQKMPWUHO-AWEZNQCLSA-N 423.966 4.642 0 40 HJAB O=C(CCOc1cc(Cl)ccc1Cl)Nc1ccc(C(=O)N2CCCC2)cc1 40141795 ZSVUMRMVEBFIPF-UHFFFAOYSA-N 407.297 4.637 0 40 HJAB CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1C 44911595 LFXZYFWVRHFRII-SFHVURJKSA-N 414.933 4.676 0 40 HJAB COc1cc([C@H]2O[C@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@H]2C)cc(OC)c1OC 67903095 RKSBJQZDPAGEQW-NDTBOIMWSA-N 416.470 4.535 0 40 HJAB biogenic,in-vitro CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(Cl)ccc1Br 72303676 JBQSRHKGZACKRP-MRXNPFEDSA-N 421.766 4.697 0 40 HJAB CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2ccc(C)cc2OCc2ccccc2)C1 95460894 OYWYBNVFSZLALW-HXUWFJFHSA-N 419.529 4.597 0 40 HJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@@H]3C2=O)c1 100626370 FNZHQOGUUKMVSU-ZCNNSNEGSA-N 424.909 4.761 0 40 HJAB O=C(Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccccc1)N2)c1ccccc1 100997905 NQVOHPUDGQWGHI-OAQYLSRUSA-N 411.440 4.726 0 40 HJAB CCn1c(S/C(=C\c2ccc(F)cc2)C(=O)O)nnc1-c1ccc(Cl)cc1 211522230 MUGPATMXNFJEGJ-WJDWOHSUSA-N 403.866 4.975 0 40 HJAB Cc1ccc(OC[C@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1 218877227 QFVUCSMMIZYXHX-INIZCTEOSA-N 420.347 4.843 0 40 HJAB CCOc1ccccc1CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C 222982821 HSWRRORUKHIBIM-QNGOZBTKSA-N 420.534 4.543 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C 223621393 JFIOJZOPIMAQDU-QHCPKHFHSA-N 424.585 4.577 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 224392058 ZIGMMJVSQLXUIQ-DEOSSOPVSA-N 424.560 4.933 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 225224372 ISODYHVTGAVUTI-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB COc1ccc2cc(S(=O)(=O)NCCSc3ccc(Cl)cc3)ccc2c1 225818199 KTYDWSWALBMNDN-UHFFFAOYSA-N 407.944 4.572 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N)cc1Br 227158629 PHFIKUOUNOSLQP-MRVPVSSYSA-N 404.091 4.744 0 40 HJAB CCc1n[nH]c(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)c1C 257277987 OAHBYLKMLZHFNY-INIZCTEOSA-N 412.921 4.533 0 40 HJAB Cc1cc(Nc2ncccn2)cc(C2CCN(Cc3ccc4ncccc4c3)CC2)n1 257281025 ONIWZGAMGAWQDQ-UHFFFAOYSA-N 410.525 4.851 0 40 HJAB C[C@@H]1CCC2=NN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409057133 IUICRTWDGCNVTC-IBZMOEQTSA-N 402.416 4.853 0 40 HJAB O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)o1 409175189 XAKUQGWDNLLZBO-UHFFFAOYSA-N 418.232 4.861 0 40 HJAB CC(C)CCS(=O)(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br 1213598500 VGJAEJUHRYZLJG-LJQANCHMSA-N 410.377 4.846 0 40 HJAB C[C@]1(NC(=O)CCO)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cccc(Cl)c2O)C1 2037821220 MCDGJGDMIPVICW-UEXGIBASSA-N 424.324 4.549 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 844967 NSZBUSLVHYGSDJ-CHWSQXEVSA-N 420.410 4.957 0 40 HJAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 872966 MFEUYYHCRUJZPU-INIZCTEOSA-N 411.310 4.609 0 40 HJAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccncc2)cc1 897282 RYFDJPNGIQCFKA-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB CCOC(=O)c1c(NC(=O)c2c(Cl)ccc(Cl)c2OC)sc2c1CCC2 941778 PTDJLRPZVQIBQK-UHFFFAOYSA-N 414.310 4.981 0 40 HJAB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1nnc([C@H]2CCCO2)s1 959532 VITPXVFGZLQLMP-YFPIXMDGSA-N 407.495 4.621 0 40 HJAB COc1ccc(Br)cc1C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 1302929 HQZWRKGISQADDU-UHFFFAOYSA-N 424.254 4.913 0 40 HJAB CCCCOc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1 2025490 QIJIRDAERQGAFN-AQTBWJFISA-N 400.272 4.973 0 40 HJAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Br)cc1 2734174 NUSZSLBBDPAIMR-UHFFFAOYSA-N 414.630 4.922 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3180134 WYHNGMZKVAYGED-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB Cn1cccc1C(=O)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 3280652 MWFYJMSRONXDOH-SFHVURJKSA-N 403.265 4.869 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c1C 3303787 DOOOMHYZGOQAQO-UHFFFAOYSA-N 421.449 4.640 0 40 HJAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)Oc1ccccc1Cl 3373526 PYTCERRDJUCXON-SDNWHVSQSA-N 419.930 4.524 0 40 HJAB CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2)c2c[nH]c3ccccc23)cc1 3400017 OEAIPUAHXPTHBA-JOCHJYFZSA-N 401.485 4.935 0 40 HJAB aggregator CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCC(=O)c1ccccc1 4130253 ZDKZSVJRACQOCS-UHFFFAOYSA-N 400.935 4.847 0 40 HJAB CSc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1 4723429 FOTLNSXJWNQNAE-FQEVSTJZSA-N 405.527 4.544 0 40 HJAB COc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1N1CCCC1=O 5440929 UXGDSYQDGPHEDZ-UHFFFAOYSA-N 400.478 4.670 0 40 HJAB COc1ccccc1NC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1 5497873 XBTFZTUDAOUSCA-UHFFFAOYSA-N 415.445 4.795 0 40 HJAB biogenic O=C(c1ccccc1)c1ccc2c3c(cccc13)C(=O)N(OCc1ccccc1)C2=O 5553364 KLBHHIAHAPJGJB-UHFFFAOYSA-N 407.425 4.799 0 40 HJAB Cc1csc2nc(CSc3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc(=O)n12 5795322 XRZZKKLSNCLGKX-UHFFFAOYSA-N 412.540 4.704 0 40 HJAB CCOc1ccccc1CCC(=O)OCC(=O)Nc1ccccc1-c1ccccc1 6552097 WCBIFGFZMBFLHC-UHFFFAOYSA-N 403.478 4.867 0 40 HJAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)sc2c1 6616944 BDPRYLPSIMDFTG-UHFFFAOYSA-N 412.540 4.505 0 40 HJAB COc1cc([C@@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1ccccc1C 6678771 JNETUOYSBGBIBC-VFNWGFHPSA-N 423.538 4.777 0 40 HJAB COc1ccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1 6748043 FKWWKFXLWBQASU-UHFFFAOYSA-N 403.866 4.822 0 40 HJAB CCOc1ccc2nc(NC(=O)c3cc(=O)c4cc(Cl)ccc4o3)sc2c1 6811430 NIAFIYNDFYSXBK-UHFFFAOYSA-N 400.843 4.707 0 40 HJAB O=C(COc1ccc(Nc2ccccc2)cc1)Nc1nc(-c2cccnc2)cs1 6969422 VLGYMSZVUPQRHS-UHFFFAOYSA-N 402.479 4.966 0 40 HJAB Cc1ccc(Cl)cc1-n1nc(C(=O)NCc2ccccc2)nc1-c1ccccc1 8476761 GCUXNQFNFUTFCZ-UHFFFAOYSA-N 402.885 4.826 0 40 HJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 8480534 SWYNXPUMGXHBTQ-HXUWFJFHSA-N 410.514 4.508 0 40 HJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 8481075 MXVDFIVHYXBODM-OAQYLSRUSA-N 406.457 4.552 0 40 HJAB C[C@]1(c2ccccc2)NC(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 8756531 LQRVBXTWVWFNPG-AREMUKBSSA-N 422.488 4.507 0 40 HJAB Cc1cc(Cl)ccc1OCCCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9156051 PMXZHBSTVDCZKD-IBGZPJMESA-N 415.917 4.942 0 40 HJAB O=C(COc1ccc(Cl)cc1CNc1cccc(C(=O)O)c1)Nc1ccccc1 9668675 SFBAJBQXWYFGKM-UHFFFAOYSA-N 410.857 4.668 0 40 HJAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1)c1cccs1 11148984 GARQOBSDXFUXFU-OAHLLOKOSA-N 421.494 4.664 0 40 HJAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc21 12180591 YAAMFDCRQMJYLJ-UHFFFAOYSA-N 420.534 4.844 0 40 HJAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1cccc(OCc2ccccc2)c1)CC3 12504975 XQQNKZQUJUNYMB-CPNJWEJPSA-N 424.456 4.618 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 12594216 QYUWIRLUUXAHPA-NHCUHLMSSA-N 417.534 4.924 0 40 HJAB COc1cc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc(Cl)c1OC 12613749 ZSKNLDGDEPYFTI-UHFFFAOYSA-N 402.903 4.719 0 40 HJAB COc1ccccc1C(=O)COC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 12805466 HPLQYDQIHIZGRR-JKSUJKDBSA-N 407.491 4.781 0 40 HJAB CCc1ccccc1NC(=O)CN(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 12857629 UDJJWIONTMQUAH-UHFFFAOYSA-N 413.930 4.737 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C 13409314 VCWDOHJFKGOMRJ-KHEACNCUSA-N 402.575 4.983 0 40 HJAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1 13586090 OJAKRYJKMNUIHU-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB Cc1nn(-c2ccccc2)c2oc(=O)c(NC(=O)c3ccc(C(C)(C)C)cc3)cc12 14291660 LTLLDQHVQWGTAX-UHFFFAOYSA-N 401.466 4.837 0 40 HJAB C#CCN1C(=O)S/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)C1=O 15227162 DGULQSZKQGSEBY-OEAKJJBVSA-N 424.481 4.960 0 40 HJAB Cc1cccc(OCc2nc3ccccc3n2C[C@@H](O)COc2cccc(C)c2C)c1 15860770 VWSPGULONQHNJB-OAQYLSRUSA-N 416.521 4.980 0 40 HJAB C[C@@H](NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(Cl)cc1Cl 16695472 JULYADSVHVHNSX-LLVKDONJSA-N 409.235 4.828 0 40 HJAB O=C(NC(=S)Nc1nc2ccc(O)cc2s1)c1cccc2c(Cl)cccc12 17089724 LZFOSUJMEORNCQ-UHFFFAOYSA-N 413.911 4.935 0 40 HJAB COCCCN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 19370919 BMELRMVLLCJZEK-FQEVSTJZSA-N 402.991 4.743 0 40 HJAB COc1ccc(CN2CCN(C[C@H]3CC=CCC3)CC2)cc1OCc1ccccc1 19900070 RBQXQUQZPTXJAK-QFIPXVFZSA-N 406.570 4.748 0 40 HJAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccccc1 20111749 DLRXFUIJVCXAHP-QFIPXVFZSA-N 422.550 4.985 0 40 HJAB Cc1ccc2[nH]c(C(=O)NCc3ccccn3)c(NC(=O)c3ccc(Cl)cc3)c2c1 21361620 RNSPFYMADDSHMP-UHFFFAOYSA-N 418.884 4.707 0 40 HJAB CC[C@@H](Sc1nc(C)c(Cc2ccc(O)cc2)[nH]1)C(=O)N[C@@H](C)c1ccccc1 23279062 XOIGCDYQKRQSOE-YCRPNKLZSA-N 409.555 4.763 0 40 HJAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)Cc1ccc(Br)s1 24923411 OOLUZNHDAOEDCS-UHFFFAOYSA-N 405.317 4.675 0 40 HJAB Cc1c(C(=O)N2CCC(c3ccccc3)CC2)cnn1-c1ccc(Br)cc1 24927644 SMRBMNHZAHGDDJ-UHFFFAOYSA-N 424.342 4.963 0 40 HJAB COc1ccc(OC)c(NC(=O)Nc2ccc(-n3nc(C)c(Cl)c3C)cc2)c1 27925031 DEOPWKIBNDWQBI-UHFFFAOYSA-N 400.866 4.804 0 40 HJAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(Cc1ccco1)C(=O)c1ccccn1 35312529 FATAJGWGEJHZDE-NRFANRHFSA-N 423.538 4.569 0 40 HJAB COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1 57487241 ZFSOPBJIYMJFAJ-UHFFFAOYSA-N 408.845 4.506 0 40 HJAB CCOc1cccc([C@@H](C)NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1 60183069 ZUIVNXARPYRFBJ-NTKDMRAZSA-N 416.521 4.824 0 40 HJAB CCN1c2ccc(C(=O)Nc3cccc(Cl)c3)cc2-c2ccccc2S1(=O)=O 65315055 KWUOONMBGVLMMG-UHFFFAOYSA-N 412.898 4.788 0 40 HJAB COc1ccccc1NC(=O)N[C@@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 78991723 SGXMETIEAVRODS-IBGZPJMESA-N 418.419 4.923 0 40 HJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N(CCc1ccccc1)[C@H]1CCOC1 79053674 MEKRGOZJSDZCNN-NRFANRHFSA-N 424.928 4.788 0 40 HJAB CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Br)CC1 95081626 VFSJEOCGARHJLT-UHFFFAOYSA-N 409.246 4.525 0 40 HJAB O=C(N[C@@H](CCO)c1cccs1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 95426708 YTVOYLSXKBBOGM-INIZCTEOSA-N 422.428 4.808 0 40 HJAB Clc1ccc([C@@H]2C=C(c3cccc(Br)c3)Nc3nnnn32)c(Cl)c1 102047004 NNIFQXNNBKUBSY-HNNXBMFYSA-N 423.101 4.798 0 40 HJAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)c1C 102109466 FFQBSLTWPUEKTG-UHFFFAOYSA-N 416.587 4.858 0 40 HJAB O=C1/C(=C\Nc2ccc3c(c2)OCO3)c2ccccc2C(=O)N1c1cccc(Cl)c1 105309609 NVSFWKJNELTJGC-UNOMPAQXSA-N 418.836 4.709 0 40 HJAB O=C(CCCC(=O)OCC(=O)Nc1cccc2ccccc12)Nc1cccc(Cl)c1 138640500 DWJGWJQTBDXBOI-UHFFFAOYSA-N 424.884 4.784 0 40 HJAB O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)c1ccc(OC(F)(F)F)cc1 207966977 UPWBMUUNNLECTG-INIZCTEOSA-N 413.442 4.720 0 40 HJAB CC(C)c1ccc(OCC(=O)NCCSCc2ccco2)c(Br)c1 218871209 IRYLPQFXQAGQTL-UHFFFAOYSA-N 412.349 4.594 0 40 HJAB O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccccc1OCc1ccccc1 218988372 XXTZYEVPSYHHIN-UHFFFAOYSA-N 419.868 4.899 0 40 HJAB CCCCc1ccc(NC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220510040 ROGXVDXVSMSYKB-NRFANRHFSA-N 402.560 4.521 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CCCOc1ccccc1 222599250 SEGAFTYRYIDKLL-QPPBQGQZSA-N 424.585 4.610 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C 223621446 JFIOJZOPIMAQDU-HSZRJFAPSA-N 424.585 4.577 0 40 HJAB Cc1cccc(CN2CCC(C(=O)NCCOc3ccc4ccccc4c3)CC2)c1 223625371 GCTDLETYUKXPGB-UHFFFAOYSA-N 402.538 4.555 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cccc(OCCc3ccccc3)c2)cc1Cl 223649296 YZQATNMNFYOWKR-UHFFFAOYSA-N 417.914 4.771 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 223949916 ZNGBBLVDRNEOAK-GOSISDBHSA-N 408.523 4.595 0 40 HJAB Cc1ccc(OCCNC(=O)CSCc2c(F)cccc2Cl)cc1Cl 224122401 WWYSZACARHKLNA-UHFFFAOYSA-N 402.318 4.869 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1c1ccccc1 224159087 VCSVSPFDXZZDBX-DHIUTWEWSA-N 411.534 4.504 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C 224241703 XKNPZDXHOHVVGJ-HSZRJFAPSA-N 422.569 4.548 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3OC)c2)cc1 224242871 KWLLIEFPOYZKBQ-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2CCCc3ccccc32)cc1 224360005 CAQHGMNQGBIURJ-NRPPHEFGSA-N 400.478 4.553 0 40 HJAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c(C)c1 224675886 GKFAANFLRPDXEN-NRFANRHFSA-N 422.569 4.548 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 224775880 VXAIAGYOFWPEJJ-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 225749235 IKNGOGGGCULCFU-DEOSSOPVSA-N 418.578 4.782 0 40 HJAB CC(C)COc1ccc(NC(=O)C2(C3(C(=O)N4CCCC4)CC3)CC2)c2ccccc12 225926264 RCGDWPVHFOQTPM-UHFFFAOYSA-N 420.553 4.996 0 40 HJAB O=C1Oc2ccccc2[C@@H]2c3sc(=O)[nH]c3S[C@@H](c3ccc(Cl)cc3)[C@@H]12 245253890 IPSHIDQQUQICMR-KKUMJFAQSA-N 401.896 4.604 0 40 HJAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1 248203434 XUXWOQFLZLKUOM-NFAWXSAZSA-N 408.468 4.755 0 40 HJAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4ccc(C)nc4)C3)c2)cc1 257298334 RLGBVODXYWXBGG-OAQYLSRUSA-N 401.510 4.789 0 40 HJAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 408584587 RSBZYXURVFGQQQ-UHFFFAOYSA-N 403.548 4.697 0 40 HJAB CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)o2)c1 408638552 RTSMJILSWGISKV-UHFFFAOYSA-N 418.478 4.579 0 40 HJAB COc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)sc2CC(=O)O)cc1 408891530 RZMMQADLDHORSV-UHFFFAOYSA-N 409.294 5.496 0 40 HJAB COC(=O)c1c(NC(=O)CSCc2ccccc2Cl)sc2c1CCCC2 409132031 KNDJJYMNCHSZID-UHFFFAOYSA-N 409.960 4.939 0 40 HJAB CSc1nnc2c(n1)O[C@H](c1ccco1)N(C(=O)c1ccccc1)c1ccccc1-2 684716 PPBGBOUIAGHPTA-OAQYLSRUSA-N 416.462 4.592 0 40 HJAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cc(F)ccc1F 902142 UMUGRQGVURDVAP-UHFFFAOYSA-N 415.343 4.764 0 40 HJAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)N4c5ccccc5C[C@H]4C)c23)C1 928908 WZRDAQITYDSONV-ZIAGYGMSSA-N 409.580 4.886 0 40 HJAB CCN(CC)C(=O)Cn1cnc2scc(-c3ccc(-c4ccccc4)cc3)c2c1=O 938815 OJGHYOLRCQJAMM-UHFFFAOYSA-N 417.534 4.660 0 40 HJAB O=C1CS[C@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N1c1ccccc1 1387941 XUWASTKRBJMTGT-HSZRJFAPSA-N 420.921 4.820 0 40 HJAB CC(C)NC(=O)c1cnn(-c2nc(-c3ccc(Cl)cc3)cs2)c1C(F)(F)F 1400947 QJEAYKWAGSFPLQ-UHFFFAOYSA-N 414.840 4.806 0 40 HJAB CCOc1ccc(CN(C(=O)Nc2ccccc2)c2nnc3n2CCCCC3)cc1 1468170 FBEYNVNCXIGPLU-UHFFFAOYSA-N 405.502 4.642 0 40 HJAB COc1ccc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 2386986 GXOCWIPOYXOZAF-HSZRJFAPSA-N 417.461 4.750 0 40 HJAB Cc1ccccc1OCc1n[nH]c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)n1 2643937 HBNGWISEAGCABD-UHFFFAOYSA-N 424.570 4.612 0 40 HJAB CCOc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1OCC 2801311 COSZATCGGXSTII-WJDWOHSUSA-N 416.271 4.591 0 40 HJAB Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1Cc1ccccc1 3285710 GPWOJIRGLXFHTK-UHFFFAOYSA-N 414.534 4.586 0 40 HJAB Cc1ccccc1C(=O)N[C@H](C(=O)NC(c1ccccc1)c1ccccc1)C(C)C 3428169 RHTRRHZOBXGIDW-QHCPKHFHSA-N 400.522 4.655 0 40 HJAB Cn1c(SCc2cnc(-c3ccccc3)s2)nnc1[C@H]1COc2ccccc2O1 3491241 DPJAHZOGWFLFRF-GOSISDBHSA-N 422.535 4.743 0 40 HJAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)OCCO4)o2)cc1 4215858 DFIQCJWMCZBRTG-UHFFFAOYSA-N 410.495 4.780 0 40 HJAB CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CCCC2)cc1 4240614 JKSGOLHHYZKOAN-HSZRJFAPSA-N 424.541 4.863 0 40 HJAB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(C)=C(C(=O)OC)C1c1ccc(F)cc1 4619992 BDGMYNSAAKSJBT-UHFFFAOYSA-N 423.484 4.940 0 40 HJAB CCC(=O)n1nc(NCc2ccccc2Cl)nc1NCc1ccccc1Cl 4704914 KYJDSFUWHYNART-UHFFFAOYSA-N 404.301 4.859 0 40 HJAB CCN(CC)CCOC(=O)c1ccc(NCCC(=O)c2cc3ccccc3o2)cc1 4709923 JWBXHOHGGGQTNO-UHFFFAOYSA-N 408.498 4.616 0 40 HJAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1ccccn1 5307921 HZKFRDAVGVHVAD-IBGZPJMESA-N 406.800 4.730 0 40 HJAB COc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(OC)cc3)no2)cc1 5575514 BOJBSUZEAHNLML-UHFFFAOYSA-N 401.422 4.673 0 40 HJAB CN(C)[C@@H](CNc1nc(-c2cccnc2)nc2sc3c(c12)CCC3)c1ccco1 6541412 GCSHYHBRMWJLMK-INIZCTEOSA-N 405.527 4.550 0 40 HJAB CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccccc1OC 6554678 MSNAJPITWAXSRH-PBXXJUDPSA-N 409.526 4.602 0 40 HJAB biogenic Cc1cc(NC(=O)Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)no1 6654379 QLFSBHNRUIFXAP-UHFFFAOYSA-N 412.449 4.704 0 40 HJAB COc1ccc(OCCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1 6658513 RJMGDGFYEIJIQA-SFHVURJKSA-N 421.541 4.628 0 40 HJAB CC1CCC(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCC(C)CC2)CC1 6725305 TZQPDCPWRNZBLZ-WXHVLAMRSA-N 423.601 4.716 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 7161051 FRXJJRJELYBNMF-UHFFFAOYSA-N 409.511 4.968 0 40 HJAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7669044 FMVHOWCCBQWSSJ-UHFFFAOYSA-N 414.571 4.970 0 40 HJAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc2nc(N3CCOCC3)sc2c1 8390557 YQKNRZLDHGNXHC-UHFFFAOYSA-N 420.538 4.576 0 40 HJAB COc1cccc(-n2c(-c3ccccc3)cnc2SCC(=O)Nc2cc(C)on2)c1 8719749 MRMDMHPYJJYTPC-UHFFFAOYSA-N 420.494 4.575 0 40 HJAB Cc1noc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)[C@H]3C[C@H]3C)cc2)c1C 12182250 YCJIZKMGNSBVAL-KUHUBIRLSA-N 404.514 4.811 0 40 HJAB CN(Cc1ccc2ccccc2c1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 12895016 KEPXYFCSAACGJS-UHFFFAOYSA-N 406.489 4.905 0 40 HJAB CCOc1ccc(CN(C)Cc2cc3ccc(OC)cc3nc2Cl)cc1OC 14672825 NXBCRCIPEOUADW-UHFFFAOYSA-N 400.906 4.936 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 15431944 NAYUDICMCIVQPB-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccccc3C)c2)cc1 15685465 CSELQIPIFRECKK-SFHVURJKSA-N 408.523 4.595 0 40 HJAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1 17088686 IRNZPMBYUHHJFH-UHFFFAOYSA-N 410.857 4.862 0 40 HJAB O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)NCCc1ccccc1 17178909 NXAFZPCRFMOOOC-UHFFFAOYSA-N 422.941 4.501 0 40 HJAB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 18066301 CVLPMAZXXKVYIN-BDTNDASRSA-N 418.880 4.700 0 40 HJAB O=C(NCCn1cc(-c2ccncc2)c(C2CC2)n1)c1ccc(Cl)c(Cl)c1 19292807 WODPKZKRPCNSAR-UHFFFAOYSA-N 401.297 4.559 0 40 HJAB C[C@@H]1CN([C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(Cl)(Cl)Cl)C[C@@H](C)O1 19315922 MHYOKXMLWSCKNE-XNJGSVPQSA-N 421.796 4.519 0 40 HJAB Cc1ccc(CN(C)C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 20483636 PUCCMWCDDJXPGK-XMMPIXPASA-N 420.534 4.634 0 40 HJAB Cc1c(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)oc2ccc(F)cc12 21711736 ZSRYOJSYYSOSNY-UHFFFAOYSA-N 406.413 4.754 0 40 HJAB S=c1[nH]nc(-c2ccncc2)n1NCc1cccc(OCc2ccc(Cl)cc2)c1 22110799 PPYFIUXBYTUUPM-UHFFFAOYSA-N 423.929 4.979 0 40 HJAB Cc1cc2occ(CC(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)c2cc1C(C)C 22602183 CTVHCWIHSSANOU-UHFFFAOYSA-N 419.525 4.745 0 40 HJAB CN1CCc2nc(NC(=O)c3ccccc3OCc3ccc(Cl)cc3)sc2C1 23607987 PWSMNXLENKDCLK-UHFFFAOYSA-N 413.930 4.616 0 40 HJAB COc1ccc(-c2cc(C(=O)N(Cc3ccc(F)cc3)Cc3ccco3)no2)cc1 28288328 PQKOGUHTWSFPFZ-UHFFFAOYSA-N 406.413 4.925 0 40 HJAB CCn1nc(C)c2c(C(=O)Nc3ccc(-n4nc(C)c(Cl)c4C)cc3)cc(C)nc21 28573035 SOYOUVLXUINPIU-UHFFFAOYSA-N 422.920 4.776 0 40 HJAB Cc1c([C@@H](C)NC(=O)CCc2nc3ccccc3s2)cnn1-c1ccc(F)cc1 31562599 SOWDPJDOZDLSCH-CQSZACIVSA-N 408.502 4.740 0 40 HJAB CN(C)c1nc2cc(C(=O)N3CCC[C@H]3c3ccncc3)sc2n1-c1ccccc1 32314712 AFOBCSDXCQSQQB-IBGZPJMESA-N 417.538 4.525 0 40 HJAB COc1ccc(-c2noc(CCCC(=O)Nc3cccc(Cl)c3C)n2)cc1OC 33000110 VNZHXTVXOGSDLY-UHFFFAOYSA-N 415.877 4.677 0 40 HJAB Cc1ccc(-c2cc(C(=O)N[C@@H](c3ccc(Cl)cc3)c3nccn3C)on2)cc1 33161235 LEAHUYQWTDCFDL-FQEVSTJZSA-N 406.873 4.556 0 40 HJAB C[C@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1nc(C(C)(C)C)no1 40086332 RKFODVZTKCKCNP-AWEZNQCLSA-N 402.454 4.895 0 40 HJAB COc1ccc(NC(C)=O)cc1NC(=O)CCCCc1ccc(Br)cc1 40129445 WJYWMZBYOGTHNS-UHFFFAOYSA-N 419.319 4.768 0 40 HJAB CCc1ccc(Nc2cc(C(=O)N3CCSCC3)nc3c(OC)cccc23)cc1 49003048 GYAQYFKMBKWNCR-UHFFFAOYSA-N 407.539 4.738 0 40 HJAB Cc1[nH]c2ccc(CNC(=O)CSc3ncnc4sc(C)c(C)c34)cc2c1C 65119701 VOTHBLJNXCPRHV-UHFFFAOYSA-N 410.568 4.815 0 40 HJAB CCc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)cc1 67292774 BWWWPPLHJNNNRM-YXKKDJNZSA-N 410.901 4.790 0 40 HJAB C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@H](C[C@@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1 70707866 NEMWYOKGHGSVSC-UKPYLRCASA-N 415.662 4.563 0 40 HJAB CCCCc1ccc(NC(=O)COC(=O)Cc2ccc(OCC)c(OCC)c2)cc1 72330959 MKQINEJMXDJIEL-UHFFFAOYSA-N 413.514 4.551 0 40 HJAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 72346230 HWDWNXGGPKTYQJ-FQEVSTJZSA-N 418.516 4.594 0 40 HJAB O=C(OCc1cccc(Cl)c1)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 89774633 FRDFQHXBXPIKFP-UHFFFAOYSA-N 409.656 4.550 0 40 HJAB OC1(Cc2ccc(F)cc2F)C[C@@H]2CC[C@H](C1)N2c1nc(C(F)(F)F)cs1 95443232 FCXGOCUNFVWPMJ-MPYYAJLASA-N 404.404 4.545 0 40 HJAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N1[C@@H](C)CCC[C@H]1C 102528148 IDPCCKQDLIQGNE-ZNMIVQPWSA-N 402.539 4.689 0 40 HJAB CC(=O)O[C@H]1CC2=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@H](OC(C)=O)C1 118928057 YXLMKYPZOPOZEL-NWMWQGRGSA-N 416.558 4.628 0 40 HJAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 142195797 AOWVCMLTJATMPZ-HSZRJFAPSA-N 406.913 4.746 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 222606204 FXHVWDWCASILHR-NRFANRHFSA-N 416.562 4.558 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 225208785 PIEGWBXIXRUZLC-OALUTQOASA-N 414.977 4.831 0 40 HJAB CC[C@@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(OC)cc1 225490637 DBYDNFVPNXPWOC-OAQYLSRUSA-N 411.571 4.759 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 225491205 SCHZCUZZBMCITQ-DYESRHJHSA-N 400.950 4.605 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 225543729 TXOKWPJOQZXWTO-QPPBQGQZSA-N 424.585 4.713 0 40 HJAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc21 225727096 VWBMGKRUDGLHRN-UHFFFAOYSA-N 417.339 4.581 0 40 HJAB CCOc1ccc(NC(=O)C2(C)COC(c3ccc(Br)cc3)OC2)cc1 225918591 FESMMYFYAKAXPJ-UHFFFAOYSA-N 420.303 4.538 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H](Oc2cccc3cccnc23)C1 244983806 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Nc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)sc2nc3c(cc12)C(=O)CCC3 2434930 JDVPKHUFUCXZPK-UHFFFAOYSA-N 406.294 4.957 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nc3nc(C)c(Br)cc3[nH]2)c(C)c1 2453560 FBIFDNLHUDZTTF-UHFFFAOYSA-N 419.348 4.685 0 40 HJAB COc1ccc(-c2cc(C(=O)OCC(=O)C(C)(C)C)c3ccccc3n2)cc1OC 2628830 JGYJTGWOOUCHQG-UHFFFAOYSA-N 407.466 4.691 0 40 HJAB CCC[C@@H](CNC(=O)CSc1nnc2ccccn12)c1ccc(Cl)cc1Cl 3278864 FVPDKCQCUQKIPO-ZDUSSCGKSA-N 423.369 4.828 0 40 HJAB Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)c3ccc(Cl)cc3)c3ccccc32)c1 4556263 DVAVSTKOQBFJSY-VWLOTQADSA-N 419.908 4.964 0 40 HJAB CCCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2c(oc3ccccc32)c1=O 4852710 MUGXARGHAOEIBK-UHFFFAOYSA-N 421.522 4.900 0 40 HJAB Cc1cccc(C(=O)Nc2c(C(=O)Nc3ccc4c(c3)OCO4)oc3ccccc23)c1 5107106 WCMLAZOJFRTMCR-UHFFFAOYSA-N 414.417 4.975 0 40 HJAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)o2)cc1 5170185 YCMXYOYKZMNVPG-ZIAGYGMSSA-N 415.490 4.632 0 40 HJAB COc1ccccc1NC(=O)N(Cc1nnc2n1CCCCC2)c1cccc(C)c1 5223551 MNDAJIFSTREOMH-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB CCc1cccc2c(C(=O)CSc3nnc(-c4ccc(OC)cc4)n3C)c[nH]c12 5846901 USMKKSPBEKTKTC-UHFFFAOYSA-N 406.511 4.509 0 40 HJAB COc1cccc([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2cccc(C)c2)c1OC 6679106 XCFCAEKIYBVCFL-VFNWGFHPSA-N 423.538 4.670 0 40 HJAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CSC(c1ccccc1)c1ccccc1 6840236 KPZDMPUSZZFVJG-GHTZIAJQSA-N 411.567 4.747 0 40 HJAB Cc1cccc(NC(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2C)c1 8020129 WVUZGPZNMBKNBS-UHFFFAOYSA-N 409.449 4.945 0 40 HJAB Cc1cc(Nc2ccc(S(=O)(=O)NC(C)C)cc2)c2ccc(C(F)(F)F)cc2n1 8870914 DYZCTSYQZSYCPH-UHFFFAOYSA-N 423.460 4.992 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1ccc2nc(-c3ccccc3)cn2n1 9712865 KTKDCAZJDDHIOF-UHFFFAOYSA-N 424.913 4.789 0 40 HJAB Cc1ccc(N2C[C@H](c3nc(-c4ccc(Br)cc4)no3)CC2=O)c(C)c1 12416006 SNONOARLOCGDOS-OAHLLOKOSA-N 412.287 4.636 0 40 HJAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccccc1N1CCCC1 12636741 XYANSENSEKTCMF-RUZDIDTESA-N 417.578 4.935 0 40 HJAB CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)C1(C)C 12987804 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COc1ccccc1Cc1cc(C)nc(C2CCN(C(=O)[C@@H]3CC34CCC4)CC2)c1 19691740 MVJMCRAHAIHSLW-QFIPXVFZSA-N 404.554 4.886 0 40 HJAB Cc1cc(-c2cncnc2)cc(C2CCN(Cc3c(C)nn(C(C)C)c3C)CC2)n1 19692140 CFKWAVRMWCPSGM-UHFFFAOYSA-N 404.562 4.621 0 40 HJAB c1ccc(CC2CCN([C@@H](c3cccs3)c3nnnn3C3CCCC3)CC2)cc1 20098287 WBPKXTWRJCZAKT-QFIPXVFZSA-N 407.587 4.894 0 40 HJAB Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(OCC(=O)O)c2)c1 20158209 NSUJGCMYGWFDPN-UHFFFAOYSA-N 402.406 4.519 0 40 HJAB O=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 20523390 XPEMHALYWSTLTO-UHFFFAOYSA-N 417.943 4.950 0 40 HJAB CC(C)C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1nnc2ccccn12 20714901 QSSPBEZQVNXTNC-LJQANCHMSA-N 412.493 4.871 0 40 HJAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 32719785 WOZRREOAWSDUAV-QGZVFWFLSA-N 405.494 4.772 0 40 HJAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C(C)C)cc2)CC1 33758529 PNEYGHVJSLNQLO-UHFFFAOYSA-N 413.949 4.774 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CC(O)=Nc2c(-c3ccc(F)cc3)cnn21 35685064 KHSFFPBMBMHTGC-INIZCTEOSA-N 402.788 4.653 0 40 HJAB Cc1cc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1C1CCCCC1 40080419 SQWOQMRPZLOANQ-QGZVFWFLSA-N 416.587 4.847 0 40 HJAB COc1cc(NC(=O)c2ccc(C)cc2C)c(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC 40087641 IZUYFAFIVPFMMX-HDICACEKSA-N 424.541 4.976 0 40 HJAB O=C(Nc1ccccn1)[C@@H]1CCCN(c2nc(-c3cccs3)nc3ccccc23)C1 40149360 ZIMORSRETYMKCX-MRXNPFEDSA-N 415.522 4.608 0 40 HJAB COc1cccc(C(=O)N(C)C)c1OCC(=O)Nc1c(C(C)C)cccc1C(C)C 40149478 MSVJSBPDHFSMOJ-UHFFFAOYSA-N 412.530 4.661 0 40 HJAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)c1 46079103 JOILPASRSHHMMZ-UHFFFAOYSA-N 416.452 4.874 0 40 HJAB C[C@H](NC(=O)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1)c1ccc(F)cc1 49401866 GBKSLCFSTGZNQO-KRWDZBQOSA-N 420.488 4.502 0 40 HJAB Cc1cc(N2CCSCC2)ccc1NC(=O)N(C)Cc1nc2ccccc2s1 51673423 UQTQPGKJAOPTEN-UHFFFAOYSA-N 412.584 4.822 0 40 HJAB CCOc1ccc(CN(CCCn2ccnc2)C(=O)NC2CCCCCCC2)cc1 58175507 LIYRCCVDAKDKAI-UHFFFAOYSA-N 412.578 4.997 0 40 HJAB CCCc1cc(-c2nc(C)c(-c3nn4c(C(F)(F)F)nnc4s3)s2)ccn1 61719334 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O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)Nc1cccc(Cl)c1 224566759 VTODASBPOLBKEC-UHFFFAOYSA-N 419.865 4.924 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1cccc(OC)c1 224589140 PWBCOZBAICGHJV-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB CCCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 224842017 GADZCOPOOZAIGB-XMMPIXPASA-N 406.570 4.794 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 225133937 PYSRZOXJEYLJJG-JOCHJYFZSA-N 412.599 4.562 0 40 HJAB COc1cccc(-c2n[nH]cc2-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1 225545323 XIVRGSRXTFOUBV-UHFFFAOYSA-N 402.332 4.701 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)c1C 225863716 YZWWILLHZYXUPA-UHFFFAOYSA-N 412.555 4.936 0 40 HJAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)C(C)C)CC1 257210554 BVDLNLOAAGTKOL-UHFFFAOYSA-N 412.599 4.747 0 40 HJAB COC(=O)c1ccc(CSc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)o1 408553775 BSGSZVRNQUAODQ-UHFFFAOYSA-N 424.400 4.843 0 40 HJAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 408644125 DSBDZTNRRYCIPE-UHFFFAOYSA-N 424.280 4.602 0 40 HJAB CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3)n2)cc1 408693969 GHXNHBSAHPKRLN-UHFFFAOYSA-N 402.429 4.724 0 40 HJAB CCCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408702564 BUROPECTWRJGBW-OAQYLSRUSA-N 402.947 4.644 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)c1 408908226 WAAYVWDQCKGDRU-UHFFFAOYSA-N 411.552 4.913 0 40 HJAB Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](C)Cc3csc4ccccc34)cc2)co1 575621811 UYWVLEQKXXTHKI-AWEZNQCLSA-N 412.536 4.774 0 40 HJAB CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(Cc4ccc(C(=O)O)cc4)C[C@@H]3C[C@@H]21 585262346 REIMEYPPWOHJBX-XHRGMSINSA-N 407.510 4.524 0 40 HJAB O=C(Nc1ccc(Cl)cc1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 726403 SEWCMDAVZDJSGC-UHFFFAOYSA-N 423.807 4.777 0 40 HJAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCC(C)C)cc2c1 884449 QGRBUQXTGOUQMI-UHFFFAOYSA-N 413.612 4.685 0 40 HJAB Cc1ccc2cc(CN(Cc3cccs3)C(=S)NCC(C)C)c(=O)[nH]c2c1C 884561 TZNJMEIJZGVAEA-UHFFFAOYSA-N 413.612 4.739 0 40 HJAB O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)Nc1ccccn1 996333 KJNWFQMRYQMRKB-UHFFFAOYSA-N 421.913 4.714 0 40 HJAB Cc1cccc(NC(=S)N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)c1 1349294 RWCRYOPGDABSBR-UHFFFAOYSA-N 412.559 4.777 0 40 HJAB C[C@@H](O)c1cccc(C(C)(C)O)c1Sc1c(C(C)(C)O)cccc1C(C)(C)O 1584825 IYUOUMGOEFDKAM-CQSZACIVSA-N 404.572 4.573 0 40 HJAB COc1ccccc1[C@H](O)[P@](=O)(OC1CCCCC1)c1ccc(N(C)C)cc1 2366149 DQRJBSVBSJPXDF-SKCUWOTOSA-N 403.459 4.705 0 40 HJAB Cc1ccccc1-c1nnc(SCCOc2cccc(Br)c2)n1C 2653674 NDRNNFQBHSEBFS-UHFFFAOYSA-N 404.333 4.724 0 40 HJAB O=C(NCCC1=CCCCC1)c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 2969862 YWNUSZPYRCQRQJ-UHFFFAOYSA-N 405.523 4.669 0 40 HJAB CCCCNC(=O)CCSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 3645249 CHGZLEOQXNSULN-UHFFFAOYSA-N 413.465 4.570 0 40 HJAB CCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(Cl)cc1 4328773 UZUPGEICVNMHBX-UHFFFAOYSA-N 416.934 4.748 0 40 HJAB COC(=O)c1ccc(-c2ccc(/C=C3\N=C(c4ccccc4Cl)OC3=O)o2)cc1 4359734 YQFQJEPZIPACRJ-PDGQHHTCSA-N 407.809 4.731 0 40 HJAB CCN(CC)CCN(C(=O)c1cccs1)c1nc2c(OC)ccc(C)c2s1 5122178 UVDMBXDJCIAXNW-UHFFFAOYSA-N 403.573 4.663 0 40 HJAB CCOc1ccc(C(=O)N(CCCN(C)C)c2nc3c(C)cc(C)cc3s2)cc1 5122581 KZWUGEQOEJWFAF-UHFFFAOYSA-N 411.571 4.910 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(Cc2cccs2)c2ccc(Cl)cc21 5324396 LIBMMTIRGVZPNH-JOCHJYFZSA-N 408.910 4.974 0 40 HJAB Cc1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1C 5619849 RMZKXXCDCXJGEJ-GHTZIAJQSA-N 412.530 4.741 0 40 HJAB O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCc2ccccc2C1 6496389 BLMHFKJPWAWPAV-AUJBFMOVSA-N 417.593 4.952 0 40 HJAB C[C@H]1CSC(N(C(=O)c2cncc(Br)c2)c2ccc(Cl)cc2)=N1 6578566 LLWWETXVFYZCIT-JTQLQIEISA-N 410.724 4.636 0 40 HJAB CC(C)c1ccc(OCC(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1 6670265 QLBSHTLADAUTLN-UHFFFAOYSA-N 401.466 4.708 0 40 HJAB CCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)c1 6752789 QHTKIXUTTFBWGV-QHCPKHFHSA-N 415.449 4.519 0 40 HJAB CCCc1nnc(S/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)O)[nH]1 7342322 FTSCUUIHQYDZJR-PDGQHHTCSA-N 413.474 4.693 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1C 7928006 SFHPNDSYJMILFI-INIZCTEOSA-N 415.331 4.674 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1ccc(Cl)cc1Cl 8064638 GONNHRWWFAEZMW-UHFFFAOYSA-N 417.340 4.866 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)NCC3CCCCC3)o2)cc1 8132095 WVTRMJUEQXQUHM-INIZCTEOSA-N 416.591 4.760 0 40 HJAB COc1cc(CN(C)C(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccccc1 8327443 BWXVHCRGYHLDAP-UHFFFAOYSA-N 418.493 4.505 0 40 HJAB Cc1c(S(=O)(=O)NCCc2c[nH]c3ccccc23)sc2ccc(Cl)cc12 8781871 WHZJUJWAIATOTK-UHFFFAOYSA-N 404.944 4.865 0 40 HJAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@H](C)c1ccc(F)c(F)c1 11225569 FPUYJFBREVWGGP-CYBMUJFWSA-N 408.452 4.588 0 40 HJAB CCc1ccc(OCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1 11667233 ZINYYUFDNFDRMX-UHFFFAOYSA-N 403.482 4.591 0 40 HJAB COc1ccccc1OCCN(C)Cc1c(-c2ccc(F)cc2)[nH]c2ncccc12 12144229 IZPSOCHZSFMAGH-UHFFFAOYSA-N 405.473 4.888 0 40 HJAB Cc1ccc2c(Cn3cnc4scc(-c5ccc(F)cc5)c4c3=O)cc(=O)oc2c1 12815945 HRVOSMXLYGMGSX-UHFFFAOYSA-N 418.449 4.727 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl 13145341 UGMXYBMQZHVCCX-UHFFFAOYSA-N 418.280 4.591 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 13618716 NCMXLZBQFZUUHH-FSSWDIPSSA-N 418.880 4.700 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 13633159 NSZBUSLVHYGSDJ-BETUJISGSA-N 420.410 4.957 0 40 HJAB COCCn1c(SCc2nc(-c3ccc(C)cc3)oc2C)nc2ccccc2c1=O 17051831 PRGLOVKJOXOSME-UHFFFAOYSA-N 421.522 4.607 0 40 HJAB COc1cccc([C@H]2CN(C(=O)C(C)(C)C)[C@@H]3CCN(Cc4ccc(C)cc4)C[C@H]23)c1 19210322 UBBXQSQJDQCNFI-UBFVSLLYSA-N 420.597 4.866 0 40 HJAB Cc1ccc2oc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCOCC3)c(C)c2c1 19901883 CYEMAOIVPLAFQE-FQEVSTJZSA-N 412.917 4.506 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2C)o1 19929300 JMTFNESJOCJCTE-UHFFFAOYSA-N 417.918 4.904 0 40 HJAB O=C(CCc1nc(-c2ccco2)no1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 29645173 YYUAALWUIFFODU-QHCPKHFHSA-N 413.433 4.914 0 40 HJAB Cc1ccc(OCc2ccc(C(=O)N(C)CC(=O)Nc3ccccc3Cl)o2)cc1 31451800 JQIMZERLUGTBPX-UHFFFAOYSA-N 412.873 4.531 0 40 HJAB COc1ccc(-c2nn3c(c2C)N=C(O)C[C@@H]3C(=O)Nc2cccc(Cl)c2)cc1 32071256 AGNJWKPJXPIAPZ-QGZVFWFLSA-N 410.861 4.692 0 40 HJAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)C1 38771351 GSIIWJQYTMALEW-HXUWFJFHSA-N 419.569 4.797 0 40 HJAB CC(C)n1c(/C=C/[C@@H](O)CC(=O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21 44699677 GCZHCYUTPUSSIJ-IENJSVCTSA-N 409.457 4.836 0 40 HJAB in-vitro C[C@H](C(=O)Nc1cccc(NC(=O)N2CCC[C@H]2c2ccsc2)c1)n1cccn1 46007148 DPLPYFXLWBGHPW-BEFAXECRSA-N 409.515 4.513 0 40 HJAB Cc1cc(C)cc(C[C@@H](CC(=O)Nc2ccc(C)c(Br)c2)C(=O)O)c1 71405945 QBJPOFFNHHGIBO-INIZCTEOSA-N 404.304 4.646 0 40 HJAB C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1F)c1cc2ccccc2o1 72232402 ZRRYTYTXIKGPBH-LLVKDONJSA-N 412.280 4.515 0 40 HJAB CC(C)[C@@H](NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)c1nnc2ccccn12 72291356 DWIXZDSVXIHEKB-AUUYWEPGSA-N 404.436 4.755 0 40 HJAB COc1cc(Br)cc(C)c1NC(=O)c1cnc(OC(C)C)c(Cl)c1 79015982 SOYUPCOEILVARK-UHFFFAOYSA-N 413.699 4.854 0 40 HJAB CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 101191865 MAUPZZZEAKRODF-ATZCPNFKSA-N 406.861 4.787 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4Cl)N(c4ccccc4)O[C@H]3C2=O)cc1 103079276 CNTPOBMIWIPEHC-BHDDXSALSA-N 418.880 4.700 0 40 HJAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CCN(c2cccc(C)c2)[C@H](C)C1 105373817 LIJUVLVUENDGRW-JNHPGVOLSA-N 422.613 4.964 0 40 HJAB biogenic O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 105667551 ACCXDKAAHJDGGE-DZKIICNBSA-N 410.445 4.572 0 40 HJAB Cc1nc(-c2ccccc2NC(=O)[C@H](C)n2nc(-c3cccs3)ccc2=O)cs1 208009046 XNUJIYSHIHJEPE-ZDUSSCGKSA-N 422.535 4.603 0 40 HJAB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1cc2ccccc2o1 219951225 OADXRJXEVMCWFI-UHFFFAOYSA-N 412.243 4.518 0 40 HJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1 223358138 ZYACEUSRSIFFLI-HNNXBMFYSA-N 413.905 4.906 0 40 HJAB O=C(Nc1ccccc1F)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223974643 CBIWWMFELMBBOJ-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)cc1C 225148006 RTGDICYMJSWZEB-SFTDATJTSA-N 422.579 4.977 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 225292778 UOWUYJMMBSMQJK-JOCHJYFZSA-N 419.525 4.589 0 40 HJAB O=C(CCc1c(Cl)cccc1Cl)NCc1nc(-c2ccccc2Cl)no1 225364005 UITHKPVYTXOBKK-UHFFFAOYSA-N 410.688 4.946 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C 225554596 MIGQBJXJCYLCLS-GMAHTHKFSA-N 424.585 4.713 0 40 HJAB O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cc2ccccc2s1 225756723 OMMRIRHKQYAUPA-UHFFFAOYSA-N 408.552 4.752 0 40 HJAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)COc2ccccc2F)o1 257298872 RNPFDAZLKYIUNE-HXUWFJFHSA-N 424.472 4.546 0 40 HJAB OCc1ccccc1CN(Cc1ccccc1)Cc1cccc(Oc2ncccn2)c1 257324253 WNVUTSJLWJTKOR-UHFFFAOYSA-N 411.505 4.964 0 40 HJAB CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)CCCc2cn[nH]c2)CO[C@H]1c1ccc(F)cc1 257335565 YKSXZYGEBPTYII-XWGVYQGASA-N 413.537 4.667 0 40 HJAB CCOc1ccccc1-c1nc(SCC(=O)Nc2cccc(Cl)c2Cl)n[nH]1 408526806 GOTOFLSNTXVYPW-UHFFFAOYSA-N 423.325 4.908 0 40 HJAB CCCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc(Br)cc1 408587113 QGYIRUZYQDUWMD-UHFFFAOYSA-N 411.679 4.931 0 40 HJAB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1ccccc1 408596181 PXQZNZUTGXLDOZ-UHFFFAOYSA-N 418.522 4.761 0 40 HJAB COC(=O)c1ccc(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn23)cc1 408676259 MPVQJRLSSPSNSA-UHFFFAOYSA-N 412.445 4.523 0 40 HJAB Cc1ccc(C2=N/C(=C/c3cccc(OC(=O)c4ccccc4F)c3)C(=O)O2)cc1 408949765 FZPPNBYKFHMWCK-KGENOOAVSA-N 401.393 4.698 0 40 HJAB COc1ccc(Br)c(C(=O)NCCc2ccc(-c3ccco3)s2)c1 2086897005 MYAHOCKJZRLYSD-UHFFFAOYSA-N 406.301 4.752 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 674469 VUJBQVVWJTYEII-LBPRGKRZSA-N 407.919 4.721 0 40 HJAB COc1ccccc1[C@@H](O)[P@@](=O)(OC1CCCCC1)c1ccc(N(C)C)cc1 2366142 DQRJBSVBSJPXDF-DWACAAAGSA-N 403.459 4.705 0 40 HJAB O=C(Nc1ccc(SC(F)F)cc1)NC1(C(F)(F)F)Oc2ccccc2O1 3205244 GQVQDIOGBCXMOE-UHFFFAOYSA-N 406.332 4.810 0 40 HJAB COc1cc2ccccc2cc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 3339668 PZYOJSSIDSCIBO-UHFFFAOYSA-N 414.427 4.830 0 40 HJAB COc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)c(C)c2)cc1 4649048 LGRZUJPVJNNHHX-STZFKDTASA-N 406.507 4.783 0 40 HJAB CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc12 4660865 UUOCCGPYFOUFQU-UHFFFAOYSA-N 417.483 4.508 0 40 HJAB Cc1ccccc1C(=O)n1nc(-c2cccnc2)nc1NCc1cccc(Cl)c1 4816441 WHDBSIKDRVJZKE-UHFFFAOYSA-N 403.873 4.603 0 40 HJAB CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 4849336 MAMRYUYNIJOODY-UHFFFAOYSA-N 421.566 4.673 0 40 HJAB COc1ccc(-c2noc(CNC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1 5428795 CKEJVVYPBRCAAF-UHFFFAOYSA-N 413.477 4.584 0 40 HJAB CC(=O)c1cccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 7035946 FVLAKNFECQJRCQ-UHFFFAOYSA-N 407.853 4.791 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 7687901 ACJQPMSZFSDATI-UHFFFAOYSA-N 409.895 4.884 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cc1c(Cl)cccc1Cl 7989335 UFUKDWRKJDWBMP-UHFFFAOYSA-N 402.325 4.997 0 40 HJAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1Cl 8022385 GXNIQNRGUZRTIW-FQEVSTJZSA-N 413.901 4.733 0 40 HJAB C[C@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)NC1CCCCC1 8719798 VMHFKNHJCRXVLJ-LBPRGKRZSA-N 408.365 4.769 0 40 HJAB C[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCc1ccco1 9448182 MFAZDBZECVQQAO-AWEZNQCLSA-N 423.852 4.790 0 40 HJAB C[C@H]1CCc2sc(-c3nnc(SCc4nc5ccsc5c(=O)[nH]4)o3)cc2C1 9451505 JWAXSKKRTFZCGL-VIFPVBQESA-N 416.553 4.513 0 40 HJAB Cc1cc(SCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)nc2ccccc12 9466700 DSKFTJNXHVXEPB-QGZVFWFLSA-N 402.523 4.698 0 40 HJAB COc1cccc2cc(-c3cc(=O)oc4ccc(OCC(=O)OC(C)(C)C)cc34)oc12 9708078 XJJMXTJQEYNYOA-UHFFFAOYSA-N 422.433 4.935 0 40 HJAB biogenic Cc1cc(=O)n2c(-c3ccc(NC(=O)Nc4ccc(C)c(F)c4)cc3)csc2n1 11771023 JTZPOEFFIMKXDB-UHFFFAOYSA-N 408.458 4.823 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](N5CCCCC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 12660438 QZQARKHEFRUGSK-QXCGSLFNSA-N 415.618 4.994 0 40 HJAB biogenic COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCC[C@H]1c1nc2ccccc2s1 12774429 PRLYEIIFLBVHOT-DVQDXYAYSA-N 424.522 4.699 0 40 HJAB CCCN(Cc1ccc(C)cc1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 12887413 OGSHKCVXTCFYOE-UHFFFAOYSA-N 407.539 4.685 0 40 HJAB COc1ccc(-c2nc(C(=O)N(C)Cc3cccc(Cl)c3)cs2)cc1OC 12910851 HSRUDRGHQTZFQV-UHFFFAOYSA-N 402.903 4.753 0 40 HJAB CCCc1noc(CSc2nc3ccccc3c(=O)n2[C@H](C)c2ccccc2)n1 12920585 NXUBRKJQHIZRDC-OAHLLOKOSA-N 406.511 4.634 0 40 HJAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc(=O)[nH]c2ccccc12 13513928 MMOSPRZIQMTBGN-QHCPKHFHSA-N 417.848 4.963 0 40 HJAB Cc1cc(-c2nc3ccccc3c(=O)o2)ccc1NC(=O)COc1ccccc1Cl 13838516 QQBUFTGGGYTDQK-UHFFFAOYSA-N 420.852 4.834 0 40 HJAB CCOc1ccc([C@H]2CCCN2Cn2nc(-c3cccc(OC)c3)n(C)c2=S)cc1 14188776 ISCTWOLUTUBTBI-OAQYLSRUSA-N 424.570 4.820 0 40 HJAB O=C(Nc1cccc(Cl)c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 15413932 NPMVGYZRJUDCAC-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB COc1ccc(NC(=O)CN(C)C(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 15968652 RXDQTSLSWRRJJF-HSZRJFAPSA-N 420.534 4.626 0 40 HJAB Cc1c(-c2cc(-c3cnn(C)c3C)n(-c3ccc(Cl)c(Cl)c3)n2)cnn1C 17082137 PQEMPBXJEBDNQP-UHFFFAOYSA-N 401.301 4.597 0 40 HJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC)c(Br)c2)c1 17089038 YLHQOYNMTBUXKA-UHFFFAOYSA-N 411.683 4.712 0 40 HJAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1 18142917 AFZQLWRVIQBPGG-FSSWDIPSSA-N 418.880 4.700 0 40 HJAB CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19081328 WCZNZENOXFMDLJ-HXUWFJFHSA-N 401.514 4.992 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)c2)cc1 20458338 SYNXEFQEOLMKFA-IBGZPJMESA-N 422.550 4.904 0 40 HJAB Cc1ccc([C@@H](NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2)cc1 20492120 GAUZOPBRRZKZSN-FQEVSTJZSA-N 416.340 4.825 0 40 HJAB Cc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)c(C)c2)c1 21353695 BDNXOYBFVPVGQR-UHFFFAOYSA-N 414.552 4.751 0 40 HJAB CCn1cc(C(=O)N[C@@H](C)c2ccc(SC)cc2)c(=O)c2cc(Cl)ccc21 22235043 LGDGZCUXMLHNNI-ZDUSSCGKSA-N 400.931 4.888 0 40 HJAB CCN(CC)[C@@H](CNC(=O)COc1ccccc1OC)c1ccc(C(C)(C)C)cc1 28290568 BXIULQLBXIPJOL-NRFANRHFSA-N 412.574 4.571 0 40 HJAB COc1ccc2ccccc2c1[C@H]1NC(=O)NC(C)=C1C(=O)Nc1ccc(Cl)cc1 28462550 YYCLMUXJVVGSDV-NRFANRHFSA-N 421.884 4.768 0 40 HJAB Cc1ccc(-c2nc(C)c(C(=O)N3CCN(Cc4ccc(Cl)s4)CC3)s2)o1 32701180 OFIZAQFYMCCQAL-UHFFFAOYSA-N 421.975 4.693 0 40 HJAB CC(=O)Nc1cccc([C@@H](C)N(CC(=O)N(C(C)C)C(C)C)Cc2ccccc2)c1 32909361 RUMUYTQEGXLOKL-HXUWFJFHSA-N 409.574 4.854 0 40 HJAB CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)C1 32924994 VYASTSSGTGHMTF-IBGZPJMESA-N 413.587 4.558 0 40 HJAB O[C@@H](CNCC1(N2CCCCC2)CCCCC1)COc1ccc(Cl)cc1Cl 39782122 OASGMNNTOQISCE-SFHVURJKSA-N 415.405 4.512 0 40 HJAB CC(C)Sc1ncccc1C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 40120879 LXIBKUGKIDXJIO-UHFFFAOYSA-N 423.504 4.559 0 40 HJAB CC(C)c1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)cc1 48986795 QPXIMSLTERTQQI-UHFFFAOYSA-N 414.552 4.949 0 40 HJAB O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 56096526 ISXPYCJMBYXJFA-HNNXBMFYSA-N 416.264 4.640 0 40 HJAB O=C(NC[C@@H](O)c1cccc2ccccc12)c1cc(Br)ccc1Cl 70636082 ACOJVJYQTWMVKK-GOSISDBHSA-N 404.691 4.719 0 40 HJAB CCC[C@@H](CC(=O)O)c1c(OC)c(CC=C(C)C)c(O)c2c1O[C@@H](C)[C@H](C)C2=O 72320173 UDVTWMLZUGXNQM-KKUMJFAQSA-N 404.503 4.868 0 40 HJAB biogenic,in-vitro Cc1nc([C@@H]2CCCCN2CCCc2ccccc2)ncc1C(=O)N1CCCCC1 72345529 REKURFZSWBLZCI-QHCPKHFHSA-N 406.574 4.571 0 40 HJAB CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 79019572 SZAGJPAWEFMOIP-HXUWFJFHSA-N 423.479 4.822 0 40 HJAB C[C@H](O)C[C@@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1 79104787 ROGKNUOYGFROCJ-RXVVDRJESA-N 407.485 4.689 0 40 HJAB Cc1sc(NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)nc1-c1ccc(Br)cc1 95447018 AIFWEESVMZWMJB-ZUZCIYMTSA-N 407.333 4.825 0 40 HJAB O=C(CSCc1ccc(Cl)cc1Cl)NCc1nc(-c2cccs2)no1 95482471 RNIXNTOTVBBQPG-UHFFFAOYSA-N 414.339 4.655 0 40 HJAB O=C(Cc1c(F)cccc1Cl)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 96098411 YQQPLIGWUKPQEL-UHFFFAOYSA-N 414.889 4.925 0 40 HJAB O=C(NCc1ccccn1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96154465 LMPGFGCTSUWYEL-UHFFFAOYSA-N 412.474 4.943 0 40 HJAB COc1cccc(C(=O)N2CCN([C@H](c3ccccc3)c3cc(C)ccc3C)CC2)c1 96183761 SNPAQVIDBASWPK-AREMUKBSSA-N 414.549 4.859 0 40 HJAB COc1cc(OC)c(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1Cl 100851740 UDZBDQATSBDCBL-ORAYPTAESA-N 409.269 4.780 0 40 HJAB COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H]1O[C@@H]2[C@H](C)[C@@H]1C 102980122 RNIZTMIJCBCDBR-BFWJYVMMSA-N 414.454 4.515 0 40 HJAB CCOC(=O)[C@H](C(=O)CSc1nc(-c2ccccc2)cs1)c1nc(C)cs1 103076154 DWHMZHOJPCCTEJ-MRXNPFEDSA-N 418.565 4.583 0 40 HJAB O=C(CSCc1ccccc1F)Nc1ccccc1C(=O)N1CCCCCC1 222703707 ZUQNZRZVRSEDIJ-UHFFFAOYSA-N 400.519 4.714 0 40 HJAB O=C(COc1cccc2c1CCCC2)NCc1ccc(OCc2ccc(F)cc2)cc1 223108192 KNKJRMLHELQDGR-UHFFFAOYSA-N 419.496 4.979 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(Cl)cc1 223198003 ORMLSDXHGZBPMJ-IBGZPJMESA-N 422.953 4.515 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2cc(C)cc(C)c2)cc1 224824403 GKLSBYDICFKLEU-STZFKDTASA-N 406.507 4.783 0 40 HJAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccccc1C(=O)N1CCCC1 224860368 SIWSHZQDTUQRKN-UHFFFAOYSA-N 406.910 4.587 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 225041481 URIQIKGQBFDOAG-IFMALSPDSA-N 424.585 4.631 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)cc1 225570679 TVMZBOWVVJBPRO-GOSISDBHSA-N 414.977 4.777 0 40 HJAB Cc1cc(C(=O)NC(C)(C)Cc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 225859722 HCCPIJONTSEQSW-UHFFFAOYSA-N 422.550 4.547 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1Cl 225866702 VMAUFKCCWQKUHV-UHFFFAOYSA-N 403.935 4.668 0 40 HJAB CCOc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)c2ccccc12 225925151 GRKRUUORFPAVSD-UHFFFAOYSA-N 406.482 4.882 0 40 HJAB C[C@@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccccc3Cl)n2)C1 225938828 IGVUQFGPTAZSSM-CHWSQXEVSA-N 424.401 4.752 0 40 HJAB Cc1ccccc1C(=O)Nc1cc(Br)ccc1-c1ccc(C(=O)O)o1 226356688 DZJAAFANPLGYGX-UHFFFAOYSA-N 400.228 4.968 0 40 HJAB O=C(Nc1cc(Br)ccc1-c1cc2ccccc2oc1=O)C(F)(F)F 226358165 ZLCURXRQCDFVSG-UHFFFAOYSA-N 412.161 4.723 0 40 HJAB Cc1cccnc1Nc1cncc([C@@H]2CCCN2C(=O)CCCc2ccc(F)cc2)n1 257204978 AXCGQRDJRRWTQD-NRFANRHFSA-N 419.504 4.749 0 40 HJAB Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)o2)cc1 260919643 MQVJDJWZRIYNRY-ZPMCFJSWSA-N 423.513 4.632 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 408639819 GDRPNJNPACXYBW-GHTZIAJQSA-N 422.525 4.582 0 40 HJAB O=C(Oc1cccc2cccnc12)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408654020 GALKHCPJTSQDKQ-CYBMUJFWSA-N 401.249 4.500 0 40 HJAB O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409064822 QBPITWUUKNUWFW-UHFFFAOYSA-N 402.469 4.984 0 40 HJAB O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1cc(Cl)ccc1Cl 409159166 ZFTWFHIDJRQSHV-UHFFFAOYSA-N 410.282 4.730 0 40 HJAB Cc1nccc(NCc2cccc(C(=O)N3[C@@H](C)c4ccc(F)cc4C[C@H]3C)c2)n1 1596409104 INEAAMOBFKFNJY-CVEARBPZSA-N 404.489 4.684 0 40 HJAB O=C(C1CCCCC1)N1CCO[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 2037846590 SIKAHOBQNYUTGA-OAQYLSRUSA-N 424.932 4.530 0 40 HJAB COCC(=O)N1CCCCCCCNCc2cc(-c3ccc(OC)c(C)c3)ccc21 2037931647 XURJDOHIFFWXHT-UHFFFAOYSA-N 410.558 4.704 0 40 HJAB O=C(O)c1ccc2c(c1)CN(C1CCC1)CCCCCCCN2C(=O)c1ccncc1 2037949613 CLUWMIHNQXUEGQ-UHFFFAOYSA-N 421.541 4.745 0 40 HJAB Cc1ccccc1NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 858100 HXGNDOPETCWAEC-DEOSSOPVSA-N 400.522 4.906 0 40 HJAB COc1ccccc1[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1c1nc(C)c(C)s1 2258183 MVXYPLGTJSADJY-LJQANCHMSA-N 418.474 4.625 0 40 HJAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(C)C 2442233 BKXLPBHRRXXRPQ-UHFFFAOYSA-N 410.543 4.731 0 40 HJAB CCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OCC 2447276 XFEVXYOLDKKGSF-CDIAOGBUSA-N 406.526 4.511 0 40 HJAB Cc1cccc(CSc2nc3ccsc3c(=O)n2Cc2ccc3c(c2)OCO3)c1 2925307 RWDLOXNHFKDJHW-UHFFFAOYSA-N 422.531 4.836 0 40 HJAB CCC[C@H](CNC(=O)CSc1nnc2ccccn12)c1ccc(Cl)cc1Cl 3278866 FVPDKCQCUQKIPO-CYBMUJFWSA-N 423.369 4.828 0 40 HJAB COc1ccc(-c2nnc(SCCOc3cccc(Br)c3)o2)cc1 3458835 BXMBVYAMHFGTKZ-UHFFFAOYSA-N 407.289 4.679 0 40 HJAB CCOc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1cccc(Br)c1 4852778 JGDVKQMHMMKLEM-KXBFYZLASA-N 403.276 4.617 0 40 HJAB CCOCCCNC(=O)CSc1nc(-c2cccc(C)c2)nc2ccc(CC)cc12 4895314 PHXKAULPMRUCIK-UHFFFAOYSA-N 423.582 4.803 0 40 HJAB COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3ccccc3C)nc12 5142409 FTXQMEOQRDUCEI-UHFFFAOYSA-N 419.506 4.864 0 40 HJAB CC(C)OC(=O)CN1C(=O)S/C(=C\c2c(OC(C)C)ccc3ccccc23)C1=O 6345942 SRTGHCYZIKCFFI-ODLFYWEKSA-N 413.495 4.615 0 40 HJAB CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)ccc1O 6439525 BTBDBSRVDAICNZ-RRRLLHMRSA-N 421.537 4.699 0 40 HJAB O=C(CSCc1c(Cl)cccc1Cl)N1CCN(c2ccc(F)cc2)CC1 6969727 APKYUOIYWUZKFV-UHFFFAOYSA-N 413.345 4.715 0 40 HJAB O=C(CSc1nnc(Nc2cccc(F)c2)s1)N[C@@H]1CCCc2ccccc21 7577066 MOSKVZWAOMYSDW-QGZVFWFLSA-N 414.531 4.707 0 40 HJAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc2c(c1)nc(C)n2-c1ccccc1 7737634 REJOQJUJMXZQJA-UHFFFAOYSA-N 413.477 4.726 0 40 HJAB COc1ccc(OCCCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 7778921 GRPDWFNGPDPDCU-UHFFFAOYSA-N 404.438 4.895 0 40 HJAB COc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccc(Cl)cc1Cl 8050630 FTTOVUFFEYGVHF-ZDUSSCGKSA-N 414.354 4.819 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)c2csc(-c3cccs3)n2)c(OC)c1 8751764 NGNUHHZGTZVQQP-INIZCTEOSA-N 400.525 4.866 0 40 HJAB Cc1ccc([C@@H]2c3c(-c4ccc(C)cc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 8845675 QKYYKBRRLKKOHS-XMMPIXPASA-N 410.477 4.540 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccc(C)cc3)c3ncnn32)cc1 9288976 ZFQYQAOTOKLACP-ZEQRLZLVSA-N 424.504 4.976 0 40 HJAB Cc1cccc(N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)n1 9410632 MAMYUJMXPBRKOG-QFIPXVFZSA-N 424.426 4.550 0 40 HJAB CC1CCN(c2ccc(NC(=O)COCc3cc(-c4ccc(F)cc4)on3)cc2)CC1 9436372 HCZXWVOBOURAFU-UHFFFAOYSA-N 423.488 4.872 0 40 HJAB Cc1nc(Cc2nnc(SCC(=O)N[C@@H](C)c3cccc4ccccc34)o2)cs1 9515171 KAKLAMZLARONPW-ZDUSSCGKSA-N 424.551 4.548 0 40 HJAB Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(C)ccc32)cc1 9855756 KHAOWBHSMDPBGH-UHFFFAOYSA-N 424.500 4.796 0 40 HJAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1CSc1nc2ccccc2o1 9984235 ZSJUXLOZMHPRDE-UHFFFAOYSA-N 418.474 4.779 0 40 HJAB CN1C(=O)[C@]2(OCc3ccccc3N2C(=O)Nc2ccc(Cl)cc2)c2ccccc21 10157784 KMHDUJMXBAYDMJ-HSZRJFAPSA-N 419.868 4.738 0 40 HJAB CC(C)c1nnc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)s1 10903652 RILKURHVSISVFE-UHFFFAOYSA-N 412.544 4.968 0 40 HJAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc5ccccc45)ccc1c23 11615789 DABHWZKLZLRXHO-UHFFFAOYSA-N 402.475 4.774 0 40 HJAB CNC(=O)c1cccc(NC(=O)CSc2cc(C)c3cccc(C(C)C)c3n2)c1 12537612 IIFHBEJUSSPJOJ-UHFFFAOYSA-N 407.539 4.757 0 40 HJAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@]32CCOC(C)(C)C2)cc1 12661174 JMYJAWUSQAQZRN-HYBUGGRVSA-N 408.498 4.533 0 40 HJAB biogenic Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccccc1OC(F)(F)F 12999276 TWCMRDQOJQFIME-UHFFFAOYSA-N 424.400 4.730 0 40 HJAB COCCCn1c(S[C@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(Cl)cc1 13023687 WSRVYNPZUPGPIY-CYBMUJFWSA-N 421.954 4.995 0 40 HJAB Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)c1 13097601 XTHDYPMMPJJQBX-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)c(C)c3)cc2)cc1 13680443 QBTSRUREQLGVPF-UHFFFAOYSA-N 408.523 4.594 0 40 HJAB COc1ccc([C@H](C)NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1F 14778118 AUHBTZYDEKVTQR-AWEZNQCLSA-N 411.452 4.529 0 40 HJAB Cc1ccc(OCc2nc3ccccc3n2C[C@@H](O)COc2ccc(C)cc2C)cc1 16903146 XQRXBODTTCVCJZ-OAQYLSRUSA-N 416.521 4.980 0 40 HJAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)COc2ccccc2Cl)cc1 17094140 KQDVCWWEPYKOHE-UHFFFAOYSA-N 424.884 4.524 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(Cc2ccccn2)C1 19449582 KYSQRYIBQSQXQT-RUZDIDTESA-N 419.594 4.770 0 40 HJAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C2CCCC2)C1 19579809 ICEPLPLKQLZLAS-SANMLTNESA-N 422.544 4.532 0 40 HJAB CN(C)c1ncc(-c2cccc(Cl)c2)c(C2CCN(C(=O)C3CCCC3)CC2)n1 19695212 XGOFOKWECINELI-UHFFFAOYSA-N 412.965 4.759 0 40 HJAB COc1cc(CN[C@H]2CN3CCC2CC3)cc(Cl)c1OCc1ccccc1Cl 20228404 VBIPBZQFOUGPKF-FQEVSTJZSA-N 421.368 4.765 0 40 HJAB C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1nc(-c2ccccc2)cs1 21762304 PLHJMMKLAMRBSR-SNVBAGLBSA-N 413.553 4.516 0 40 HJAB Cc1ccc(N(Cc2ccco2)C(=O)CCn2cnc3sc(C)c(C)c3c2=O)cc1 22416227 XLJQXZOLMVFSTQ-UHFFFAOYSA-N 421.522 4.600 0 40 HJAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccccc1OCc1ccccn1 25061223 GHFZSRZEYBKLKP-AQTBWJFISA-N 415.518 4.993 0 40 HJAB O=C(Cc1ccc(Cl)cc1)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 27664149 AXVDMXSJZYXSAY-UHFFFAOYSA-N 414.914 4.594 0 40 HJAB O=C(c1cc(-c2ccc3c(c2)OCCO3)on1)N(Cc1ccco1)Cc1cccs1 27793324 IXOFQRPTGUQESF-UHFFFAOYSA-N 422.462 4.610 0 40 HJAB Cc1cc2oc(=O)cc(CSc3nc4sccc4c(=O)n3C)c2cc1C(C)C 28697376 OEOPNOGKUUOOGH-UHFFFAOYSA-N 412.536 4.826 0 40 HJAB S=C(NCCSCc1ccco1)Nc1ccc(Br)c(Cl)c1 33696211 JFQBCBQXJXUPPX-UHFFFAOYSA-N 405.770 4.915 0 40 HJAB COc1ccc(-c2cc(C(=O)N3CCCCC[C@H]3c3ccc(OC)cc3)n[nH]2)cc1 35317075 BLXDDUMFGWZVDS-QHCPKHFHSA-N 405.498 4.851 0 40 HJAB CC1=C[C@@H](CNC(=O)C(C)(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 35442783 ZLSJSAYWMLLLIL-UFYCRDLUSA-N 410.562 4.691 0 40 HJAB biogenic,in-vitro Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cc(F)c(F)c(F)c1 35685005 UWJUDWIGWYDSOA-OAHLLOKOSA-N 418.350 4.586 0 40 HJAB COc1cccc(-c2noc3nc(C)cc(C(=O)N[C@@H](C)CCc4ccco4)c23)c1 36619517 INNCXVUXJRTRQX-AWEZNQCLSA-N 405.454 4.551 0 40 HJAB COc1ccccc1CNC(=O)c1cc(-c2sc(-c3ccc(C)cc3)nc2C)n[nH]1 38486710 CVLAJNZXRCGYNZ-UHFFFAOYSA-N 418.522 4.756 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078463 DXAOPZMIFARUSL-UHFFFAOYSA-N 400.478 4.931 0 40 HJAB COc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc23)c(OC)c1 49004698 FEEDHSDQNBQURQ-UHFFFAOYSA-N 420.513 4.715 0 40 HJAB Fc1ccc(OCc2nnc([C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)o2)cc1 49170415 DXXJXTBXZFSJDJ-HNNXBMFYSA-N 421.394 4.796 0 40 HJAB biogenic,in-vitro COc1ccc(-n2cc(C(=O)Nc3cccc4c3ccn4C)c3ccccc3c2=O)cc1 71285156 HCPCDFVPYLPMOX-UHFFFAOYSA-N 423.472 4.743 0 40 HJAB O=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N1CCC(OC2CCCC2)CC1 72278806 SOJDBSYVPHRIQI-UHFFFAOYSA-N 422.554 4.560 0 40 HJAB Cc1nc(CC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(-c2ccccc2)s1 72346738 HANBDFAZTUBZNG-HXUWFJFHSA-N 402.523 4.901 0 40 HJAB O=C(Cc1ccccn1)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349502 FENKQQCPHUCUNZ-IBGZPJMESA-N 405.929 4.670 0 40 HJAB CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21 96053461 CDGACEMIRWHYIY-IBGZPJMESA-N 412.599 4.908 0 40 HJAB COc1ccc(CNC(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)cc1OC 206881692 JRYJXNVVZXLEMH-GOSISDBHSA-N 402.922 4.837 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc4ccccc4c3)n2)c1 219034627 AWQUZJGZPIWVNA-QGZVFWFLSA-N 401.466 4.624 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 223701923 YMFUUSMUOTTXED-DEOSSOPVSA-N 408.586 4.878 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C 224153149 SUPGXGMBYCLPHH-HSZRJFAPSA-N 422.569 4.548 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1Cl 224527935 YCFFSXBIUMIWIP-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CC[C@@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(OC)c(OC)c1 224779448 JKCVDXWUUDSYOH-GOSISDBHSA-N 421.559 4.574 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 225098923 GGWYHODEDNNFCD-DEOSSOPVSA-N 422.569 4.630 0 40 HJAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(-n5nc(C)cc5C)c4)OCC[C@@]31C2 257237183 HFMFUJUFKDHBQA-VSCLMIGZSA-N 421.585 4.898 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1CC(C)C 409096971 FLDZWRKEYXKEIT-UHFFFAOYSA-N 409.559 4.598 0 40 HJAB CC(C)n1ccc2c(NC(=O)c3cc(=O)c(OCc4ccccc4)c[nH]3)cccc21 524735335 UASFZQMJIMUXTE-UHFFFAOYSA-N 401.466 4.742 0 40 HJAB O=C(Nc1cccc(O)c1)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 675101 ZASXHAMAXCSOQW-DZGCQCFKSA-N 408.405 4.563 0 40 HJAB O=c1oc2ccc(Br)cc2cc1-c1nnc(-c2ccc(Cl)cc2)o1 856261 MVKFKUSPBXGGKU-UHFFFAOYSA-N 403.619 4.926 0 40 HJAB Cc1ccc2cc(CN(C(=S)NCc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 1224238 NQZPURBMKLZDAZ-UHFFFAOYSA-N 405.567 4.656 0 40 HJAB Cc1ccc(Cn2cnc3c(NS(=O)(=O)c4ccc(F)cc4)c(C)c(C)cc32)cc1 1388484 NQPBBDGHWAALTK-UHFFFAOYSA-N 423.513 4.950 0 40 HJAB CCOC(=O)C1=NN(c2ccccc2)C2=NC(c3ccccc3)=C[C@H](c3ccccc3)N12 2181139 NTWFVQZNLZLPFS-HSZRJFAPSA-N 422.488 4.837 0 40 HJAB CCOc1ccc(C(=O)c2cn(Cc3ccccc3OC)c3ccccc3c2=O)cc1 2693183 BULCVGOVDKIDSD-UHFFFAOYSA-N 413.473 4.688 0 40 HJAB O=C(OCc1csc(-c2ccccc2)n1)c1ccccc1I 3244528 IGULXINEKRTRFF-UHFFFAOYSA-N 421.259 4.772 0 40 HJAB CCOc1cc(/C=C/C(=O)N(C)CC(=O)Nc2ccc(C)cc2)ccc1OCC(C)C 3290484 SJUSLIMEXWLXSL-GXDHUFHOSA-N 424.541 4.539 0 40 HJAB Cc1csc(SCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)n1 3406273 LAMGUAGHUFJSIZ-UHFFFAOYSA-N 400.525 4.622 0 40 HJAB CCc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccnc1 4240546 SZCFAFFGXHFEBH-HSZRJFAPSA-N 417.509 4.684 0 40 HJAB CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(C)c1 4349774 LSQYXWNKZCTUMX-UHFFFAOYSA-N 415.950 4.603 0 40 HJAB Cc1ccccc1-n1cnnc1SCC(=O)N1CC[C@H](C)Sc2ccccc21 4510135 ZNDGLTVYNHHYND-INIZCTEOSA-N 410.568 4.585 0 40 HJAB CC1(C)C[C@H](NC(=O)c2ccccc2F)C[C@](C)(CNC(=O)c2ccccc2F)C1 4628623 AIQJSODFQSVULY-FYSMJZIKSA-N 414.496 4.710 0 40 HJAB CCN(CC)CCCNc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 5219756 FAZBHNDGYQQEOK-UHFFFAOYSA-N 413.591 4.543 0 40 HJAB C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2cccc(Cl)c2)o1)c1ccc(F)cc1 5391947 ICNONBCZPBBGCC-NWDGAFQWSA-N 405.882 4.887 0 40 HJAB O=C(CSc1ccccc1Cl)Nc1ccccc1I 6626594 IKYXUNPMISFMNW-UHFFFAOYSA-N 403.672 4.675 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4ccc(C)c(C)c4)ccc32)cc1 6767051 SWKOJMVIICWHOM-UHFFFAOYSA-N 420.534 4.616 0 40 HJAB aggregator O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc2c(c1)OCO2 6884071 RHPVHYLBAVAZOX-UHFFFAOYSA-N 403.674 4.502 0 40 HJAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H]1CCOc2ccccc21 7136615 SGRSHLZDTPUZGR-KRWDZBQOSA-N 413.930 4.566 0 40 HJAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3c(F)cccc3F)sc2n1 7604260 TZOVFPITJXZZKT-UHFFFAOYSA-N 406.483 4.544 0 40 HJAB COc1ccccc1-c1nnc(SCC(=O)c2cc(C)ccc2OC(F)F)o1 7781400 BENKIMXNWNCANR-UHFFFAOYSA-N 406.410 4.630 0 40 HJAB COc1cccc(CN(C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)c1 8188076 MJNUYNBAJBHWDK-RSXGOPAZSA-N 405.538 4.603 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)c1 8344596 OWWCJGFPJOPSET-DEOSSOPVSA-N 413.521 4.988 0 40 HJAB O=C(Nc1nnc(COc2ccccc2Cl)s1)C12CC3CC(CC(C3)C1)C2 8769064 MSBGGIVSTXKVRY-UHFFFAOYSA-N 403.935 4.925 0 40 HJAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc2cc(Cl)ccc2s1 8893949 XKDDHIVYUKVFSH-LLVKDONJSA-N 417.943 4.806 0 40 HJAB C[C@@H](c1ccccc1)n1c(S)nnc1Cn1c(-c2ccccn2)nc2ccccc21 8914563 AMXUEKXZHPBYEJ-INIZCTEOSA-N 412.522 4.636 0 40 HJAB O=C(COc1ccc(Br)cc1)N(Cc1ccco1)Cc1ccccc1F 8916431 LAYXYFUSKGSPAX-UHFFFAOYSA-N 418.262 4.789 0 40 HJAB COc1ccccc1NC(=O)c1oc2cccnc2c1NC(=O)c1ccc(Cl)cc1 9058321 AZIMLDWHRZXOKL-UHFFFAOYSA-N 421.840 4.994 0 40 HJAB O=C(CSc1ccccc1C(=O)Nc1nc2ccccc2s1)NCc1ccco1 9125158 CPSSEFKOYZLXCC-UHFFFAOYSA-N 423.519 4.550 0 40 HJAB COc1ccc2[nH]cc(CCNC(=O)c3ccc4noc(-c5ccccc5)c4c3)c2c1 9340589 IRZGBUZRRIYYAV-UHFFFAOYSA-N 411.461 4.957 0 40 HJAB CC(C)c1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCOCC3)n2)cc1 9708881 QBCMZEFPHBKFPG-UHFFFAOYSA-N 424.936 4.972 0 40 HJAB C[C@H](NC(=O)CSc1nnc(NCc2ccccc2)s1)c1cc2ccccc2o1 9792463 NGWKSJAXFZLZHC-AWEZNQCLSA-N 424.551 4.866 0 40 HJAB COc1cccc(-c2nnc(SCc3ccc4c(c3)OCO4)n2Cc2ccco2)c1 9953297 JUUDXJWRDMBTGI-UHFFFAOYSA-N 421.478 4.616 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)c2ccccc2)ccc1Cl 10112098 JXAJHUDCPXALCZ-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CC(C)(C)c1ccc(-c2nnc(SCCC(N)=O)n2-c2ccc(Cl)cc2)cc1 11811815 MWKFDJCLIAYMAR-UHFFFAOYSA-N 414.962 4.853 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)c1 12111454 SOHSXDJECBNMOJ-UHFFFAOYSA-N 409.486 4.973 0 40 HJAB Cc1ccc([C@@H](C)C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)cc1 12181724 YXPZYAXDRKGASW-BTHPGYMESA-N 416.516 4.533 0 40 HJAB O=C(NC1CC1)[C@@H](Sc1nccn1-c1cccc(Cl)c1)c1ccc(F)cc1 12479142 CUQHCMJRJBOWGV-SFHVURJKSA-N 401.894 4.777 0 40 HJAB O=c1c2c3c(sc2nc(NCc2cccnc2)n1Cc1ccccc1)CCCCC3 13207221 ATEGRDKLZLPXHT-UHFFFAOYSA-N 416.550 4.782 0 40 HJAB CCn1nc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(C)c(Cl)ccc3s2)cc1C 13703657 ZYHSKIWTINUDMC-AWEZNQCLSA-N 418.950 4.609 0 40 HJAB C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(C(F)(F)F)c1 14129733 VLOYZNPAPXTQDS-OCCSQVGLSA-N 410.823 4.589 0 40 HJAB Cc1c(C(=O)Nc2ccccc2)sc2c1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 15106587 HEHDVUMKJDKXOG-HNNXBMFYSA-N 406.463 4.512 0 40 HJAB CCC(CC)c1nnc(NC(=O)c2cnc(SC)n2-c2ccc(F)cc2)s1 15324805 FXZOFEGMWSPHKP-UHFFFAOYSA-N 405.524 4.741 0 40 HJAB CSCC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1nc2ccccc2[nH]1 15554419 VEMNHTRLBQYZHE-QFIPXVFZSA-N 422.598 4.773 0 40 HJAB CC[C@H](C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22256851 MAQXMKGISCBQMQ-KRWDZBQOSA-N 413.543 4.849 0 40 HJAB C[C@@H](CC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)NC(=O)c1ccccc1 22879080 UTFFNRLGBKWHMU-RARWEQBVSA-N 424.544 4.609 0 40 HJAB CC(=O)c1ccc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)cc1 25423521 XBXNPRXCHDDSKD-NRFANRHFSA-N 422.868 4.892 0 40 HJAB Cc1cc(C)n(CCC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)n1 25597504 NWPOMIPTJYGTPN-HXUWFJFHSA-N 420.944 4.973 0 40 HJAB COc1ccc(OC)c(CN(C(=O)c2sc(-c3ccccc3)nc2C)C2CC2)c1 25808127 IXQBVHWSBVZMRT-UHFFFAOYSA-N 408.523 4.941 0 40 HJAB CC(C)COc1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1Cl 30529465 DTBRDJGYTIJQGD-UHFFFAOYSA-N 416.326 4.684 0 40 HJAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(I)cc1C 30758044 IRTPLISHMHLBLD-CYBMUJFWSA-N 409.267 4.568 0 40 HJAB O=C(c1ccco1)N1N=C(C2CC2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 32608408 RXFNZYLATRNRQO-MRXNPFEDSA-N 409.829 4.563 0 40 HJAB Cc1noc(CSc2ccc(C(=O)Nc3ccc(Br)cc3C)cc2)n1 32902054 FGKPNYKALZIDHX-UHFFFAOYSA-N 418.316 4.994 0 40 HJAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)CSc1ccc(Br)cc1 32930677 AOTMZUZCQULULP-UHFFFAOYSA-N 419.344 4.837 0 40 HJAB Cc1ccc(-c2csc3c(=O)n(CC(=O)Nc4ccc(C)cc4C)cnc23)cc1 38651712 CGKKITGHRWLGOI-UHFFFAOYSA-N 403.507 4.689 0 40 HJAB CCc1cccc2c(/C=C3\NC(=S)N(CC)C3=O)cn(Cc3ccccc3Cl)c12 39556274 YMFXTYCRFAVDNG-NDENLUEZSA-N 423.969 4.983 0 40 HJAB CC(C)N(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 40150901 YTBSETSYMKTBOU-UHFFFAOYSA-N 408.523 4.538 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 44933489 FXBJOIKNLNFPQW-QGZVFWFLSA-N 415.375 4.847 0 40 HJAB O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC[C@@H]1c1ccc(F)cc1 48354689 ATLVPWCZVDKBHC-HSZRJFAPSA-N 423.509 4.777 0 40 HJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cccc(Cl)c3)oc12 67299033 WKNGZJRCZHQCKF-LVWGJNHUSA-N 408.841 4.850 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 72358966 PGSWADMQKPTQCW-GOSISDBHSA-N 414.484 4.713 0 40 HJAB Cc1ccc([C@@]2(O)CC[C@@H]3CN(Cc4cn(C(C)C)c5cc(F)ccc45)C[C@@H]32)nc1 72395427 DZMRAUUXLDFVIJ-WSUBETFTSA-N 407.533 4.794 0 40 HJAB CCSc1ccccc1C(=O)N1CCC(Oc2ncccc2Br)CC1 96096968 KQBMGCXJNFRBAT-UHFFFAOYSA-N 421.360 4.640 0 40 HJAB CC(C)n1cnc2c(-c3cccnc3)nc(C3CCN(Cc4cccnc4)CC3)cc21 96267182 BWKRVGMUPILUPX-UHFFFAOYSA-N 412.541 4.849 0 40 HJAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102755218 CVLPMAZXXKVYIN-YPAWHYETSA-N 418.880 4.700 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 222624035 UXDFGWRXMIPJIZ-AVRDEDQJSA-N 414.977 4.647 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 223163622 KVVUWUHOKDROLE-JOCHJYFZSA-N 410.558 4.568 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 223237712 FEBZJZVHBXJRMZ-SFHVURJKSA-N 400.950 4.525 0 40 HJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](c1ccccc1)c1cccc(C)c1 224311975 ZTRYMKRCPVNODQ-OAQYLSRUSA-N 401.915 4.725 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 225374447 HYUYHWOPEXOAJM-VWLOTQADSA-N 420.597 4.836 0 40 HJAB Cc1ccc(-c2noc(CNC(=S)Nc3ccc(Br)c(C)c3)n2)cc1 225817135 PYQWDWZYNIBJDL-UHFFFAOYSA-N 417.332 4.603 0 40 HJAB CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 257238227 HKBITSVJGHKIFI-GBXCKJPGSA-N 418.581 4.687 0 40 HJAB Cc1noc(C)c1CC(=O)N1CC[C@@H](Nc2cccc(F)c2)[C@@H](Cc2ccccc2)C1 257252092 JTNQUBWGMWWNBP-GBXCKJPGSA-N 421.516 4.545 0 40 HJAB COCCC(=O)N[C@]1(C)C[C@H](c2ccccc2Br)O[C@@H]2C[C@H](C)CC[C@H]21 257271282 MXRIKKSNRJAXEF-PZBVGEIHSA-N 424.379 4.627 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccccc3OC)N21 260763079 IJIZHLNZZIEXKY-XGRCMKMKSA-N 404.539 4.860 0 40 HJAB CCn1c2c(s/c1=N\C(=O)c1ccc(Br)cc1)CCc1ccccc1-2 408560957 GCCNQILSRCKGLV-XDOYNYLZSA-N 413.340 4.839 0 40 HJAB COc1ccc(CNC(=S)c2cccc(OC)c2OCc2ccc(F)cc2)cc1 408571547 BQMNXRTYVUGYSW-UHFFFAOYSA-N 411.498 4.887 0 40 HJAB CCOc1cc(/C=C/C(=O)Nc2ccc(Oc3ccccc3OC)nc2)ccc1OC 408607469 MOAUYURMSMBMSF-JLHYYAGUSA-N 420.465 4.942 0 40 HJAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccccc2C(C)C)c(F)c1F 408628701 WEOWMRQOVPAOKJ-UHFFFAOYSA-N 400.397 4.502 0 40 HJAB Cc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 408645021 UFJCIJFXGQYTFW-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(C)c(C)c3)c2)cc1 409177469 FNMDEUWENBCWPR-UHFFFAOYSA-N 401.462 4.904 0 40 HJAB Cc1ccc(C(=O)N2CCC3(CCCCc4ccccc4OCCN(C)C3)CC2)cc1 643570732 QEYFRVMITXIVBV-UHFFFAOYSA-N 420.597 4.955 0 40 HJAB CCCN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 1541108346 PJINUEDWUHNVHW-UXHICEINSA-N 411.542 4.964 0 40 HJAB O=C(CCCCc1cccc(O)c1)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 1632823463 XCHMNRWIXNYYBL-MRXNPFEDSA-N 407.341 4.807 0 40 HJAB O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1Nc1ccc(F)cc1 704066 IYRQWDKSNNORNS-UHFFFAOYSA-N 402.378 4.789 0 40 HJAB aggregator COC(=O)c1c(NC(=O)c2cccc(C)c2)sc(C(=O)Nc2ccccc2C)c1C 778377 QKKFHPJLVIAYIE-UHFFFAOYSA-N 422.506 4.965 0 40 HJAB Cc1ccc([C@@H]2C[C@H](C(F)F)n3ncc(C(=O)NCCc4ccccc4)c3N2)cc1 900796 XZEYKPPRLNWZHW-VQTJNVASSA-N 410.468 4.527 0 40 HJAB O=C1Nc2ccccc2[C@]12Oc1ccc(Cl)cc1[C@@H]1CC(c3ccccc3)=NN12 1093181 YMXKFGTUEGSIIW-REWPJTCUSA-N 401.853 4.689 0 40 HJAB Cc1nc2sc3c(c2c2nnc(S[C@@H](C)C(=O)Nc4ccccc4)n12)CCCC3 1295846 FRZSXPPGIATWRE-LBPRGKRZSA-N 423.567 4.646 0 40 HJAB CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccc(Cl)c(Cl)c1 2256676 NRKHMAOSNFNSHG-DZGCQCFKSA-N 413.326 4.595 0 40 HJAB COc1ccc(-c2c(NC(=O)c3ccccc3F)n(C)c3ccccc3c2=O)cc1 2323866 RUGMYFCLCXMWCY-UHFFFAOYSA-N 402.425 4.606 0 40 HJAB Cc1ccc(-n2cc3c(c2-c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n3C)cc1C 2431395 WLIFUQKWGLRSJC-UHFFFAOYSA-N 415.537 4.609 0 40 HJAB COc1ccc(-c2nnc(S[C@@H]3CCCCC3=O)n2-c2ccc(OC)cc2)cc1 2624374 PUDIJBBUVAHZHL-HXUWFJFHSA-N 409.511 4.555 0 40 HJAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ccc(F)cc1 2645274 NKTWQNWJAVGSMQ-NRFANRHFSA-N 410.876 4.657 0 40 HJAB O=C(O)CS[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 3125679 UFARTXRKGBIWNB-OAHLLOKOSA-N 403.809 4.856 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccccc4O)cc3)sc2c1 3224910 LFEOKUPGOUAZFP-UHFFFAOYSA-N 418.474 4.773 0 40 HJAB COc1ccc(CNCC[C@@H](c2ccc3c(c2)OCO3)c2ccccc2OC)cc1 4027936 LBMRVOOUBNQXAX-NRFANRHFSA-N 405.494 4.744 0 40 HJAB biogenic CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2cccc3ccccc23)NC(=S)N1 4262962 MUONHKGMEUWOSK-JOCHJYFZSA-N 401.535 4.888 0 40 HJAB S=C(NCc1ccc(Cl)cc1)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1 5041586 LDCXVIUEDSWLBS-UHFFFAOYSA-N 400.979 4.948 0 40 HJAB CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@@H]1c1ccc(C(C)C)cc1 5598089 AVFZEEDUYLOQQJ-JOCHJYFZSA-N 420.534 4.771 0 40 HJAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccccc2)C2CCCCC2)c(C)c1 6607172 DTJLWFNOCOBUQL-UHFFFAOYSA-N 414.571 4.574 0 40 HJAB COc1cc(OC)cc(-c2nnc(SCc3cccc(Br)c3)o2)c1 6787110 JMZGLICSNZUAMW-UHFFFAOYSA-N 407.289 4.809 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnc(C)n2C2CC2)c2ccccc2)c1 7617383 QJGCLTAIHOULFB-FQEVSTJZSA-N 406.511 4.596 0 40 HJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCNC(=O)Nc1ccccc1 7990769 NBGMVWDWZIWYIH-UHFFFAOYSA-N 411.889 4.770 0 40 HJAB COc1ccc([C@H](CNC(=O)Cc2coc3c(C)c(C)ccc23)N2CCCC2)cc1 8232593 VFKIYTWCRGYDJO-QHCPKHFHSA-N 406.526 4.554 0 40 HJAB CCOc1cc(C(=O)Nc2ccccc2OC)ccc1OCCOc1ccccc1 8314252 OYZFDWSPYCUHRH-UHFFFAOYSA-N 407.466 4.804 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)C)cc1)N(CCN(C)C)C3=O 8549476 RFBHQTZSPPEGKN-QHCPKHFHSA-N 418.537 4.640 0 40 HJAB Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCC2)c1C 8586929 QKYICGJIKRAGKR-UHFFFAOYSA-N 423.582 4.837 0 40 HJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc2c(c1)OC1(CCCCC1)O2 9222736 ISHVGALSWYWRBB-UHFFFAOYSA-N 422.510 4.634 0 40 HJAB Cc1cc(-c2ccccc2)nc(SCC(=O)N(C)Cc2nc3ccccc3s2)n1 9789227 UGINNLWZMVQRSE-UHFFFAOYSA-N 420.563 4.812 0 40 HJAB CC(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 10362906 ONUTWGHTEWZWSB-UHFFFAOYSA-N 401.510 4.706 0 40 HJAB O=C(COC(=O)/C=C/c1ccc2ccccc2n1)Nc1ccccc1SC(F)F 11743778 AYIRVWUNLYLSLT-VAWYXSNFSA-N 414.433 4.745 0 40 HJAB Cc1nc2sc3c(c2c(-c2ccccc2)c1C(=O)N1CCOCC1)CC[C@@H](C)C3 12772152 DTGLSSXCAFXZKK-OAHLLOKOSA-N 406.551 4.869 0 40 HJAB CN1C(=O)CS[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 13115485 NEJIOSMZHAIONS-IBGZPJMESA-N 414.328 4.506 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1cc2n(n1)[C@H](C(F)(F)F)[C@H]1CCCC[C@@H]1N2 13124505 XRRSYUJZJFMCFN-PKWAYOAASA-N 400.351 4.501 0 40 HJAB O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(\SCc1ccccc1)N1CCOCC1 13563021 ACJARRGYHWAVBH-SQFISAMPSA-N 409.722 4.583 0 40 HJAB O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(Br)s1 13938984 FYDFSKNJWJJODN-UHFFFAOYSA-N 408.342 4.579 0 40 HJAB Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4cc5ccccc5o4)C3=O)cs2)cc1 14241969 ZICVCVDSHRAOQI-QHCPKHFHSA-N 417.490 4.832 0 40 HJAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)C1CCN(C(=O)C2CC2)CC1 14377395 RZKBGSOWWWPCQF-UHFFFAOYSA-N 421.522 4.676 0 40 HJAB Cc1ccc([C@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CCC(C)CC2)o1 15860309 UMNASQSEAGDWPQ-FQEVSTJZSA-N 418.965 4.826 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1 15882497 BEGHSAFNFXFVIQ-UHFFFAOYSA-N 419.868 4.608 0 40 HJAB COc1ccc(NC(=O)CN(C)C(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 15968650 RXDQTSLSWRRJJF-QHCPKHFHSA-N 420.534 4.626 0 40 HJAB Cc1cc(=O)[nH]c(S[C@H](C)C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 16739982 YEDNFVDKRQDLBL-CYBMUJFWSA-N 402.560 4.742 0 40 HJAB CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccccc3Cl)cc2s1 17082766 CKVFJFDJOLBYEJ-UHFFFAOYSA-N 403.891 4.706 0 40 HJAB CCOc1ccc(CN(Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 19533177 KSVUQSVOBZJVEV-LOSJGSFVSA-N 406.501 4.804 0 40 HJAB COCc1nn2c(O)cc(-c3sc(C)nc3C)nc2c1-c1ccc(Cl)cc1 19560602 WYVXLGLLCKAFRM-UHFFFAOYSA-N 400.891 4.642 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2ccc(C)c(C)c2)cc1 19946985 JZUCZGVCHOMIIP-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB O=C(O)c1ccccc1-c1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1 20508326 YFRIAVFGXAVNPF-UHFFFAOYSA-N 422.234 4.615 0 40 HJAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(CCc1cccc(F)c1)CO3 20609905 IRLLJEJNOJYFSC-UHFFFAOYSA-N 401.437 4.994 0 40 HJAB biogenic Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 20766744 ABRRIZJGQAYWAH-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB CC1(C)COc2c(-c3ccccc3)nc3sc4c(NCCCO)ncnc4c3c2C1 21147146 TYCSVNHMFWJYHU-UHFFFAOYSA-N 420.538 4.662 0 40 HJAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22931164 IDUJSLFQEFAEHP-IBGZPJMESA-N 404.558 4.835 0 40 HJAB CN(Cc1ccc2ccccc2c1)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 23956940 DLHSKXXPWZQDHB-HHHXNRCGSA-N 423.516 4.850 0 40 HJAB O=C(CCOc1ccccc1-c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 24904175 CMLJXXHTCQUUQF-UHFFFAOYSA-N 400.478 4.888 0 40 HJAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 25275040 BULSKIHELGSMLA-UHFFFAOYSA-N 421.497 4.610 0 40 HJAB Cc1cccc(NC(=O)CN2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1C 26456315 VMOPJNZBIIGJPH-LJQANCHMSA-N 420.340 4.652 0 40 HJAB COc1ccc2nc(NC(=O)c3cc(-c4ccc5c(c4)C[C@H](C)O5)on3)sc2c1 27995406 XUMDELFLNDPDDX-NSHDSACASA-N 407.451 4.536 0 40 HJAB CCn1c(SCc2cccs2)nnc(Nc2cccc(C(F)(F)F)c2)c1=O 28538257 MQBZXFBACSMBLT-UHFFFAOYSA-N 412.462 4.774 0 40 HJAB O=C(Nc1nn(Cc2ccccc2F)cc1Br)[C@@H]1C[C@@H]1c1ccccc1 28573824 MUONDZJKYJBIFF-HZPDHXFCSA-N 414.278 4.575 0 40 HJAB CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c1 30214988 OARUZPDEFLDNPH-UHFFFAOYSA-N 414.868 4.999 0 40 HJAB Cc1ccc(S(=O)(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)c(Br)c1 30368511 XBZYMWQJWXDDEK-CJNGLKHVSA-N 424.360 4.827 0 40 HJAB CC(C)c1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 33663104 FUWOIDPRAQBREX-UHFFFAOYSA-N 415.342 4.522 0 40 HJAB CCC(=O)c1cn(CC(=O)N[C@H](CC)c2ccc3c(c2)OCCCO3)c2ccccc12 35511658 SEBRGQCCWHWRQO-HXUWFJFHSA-N 420.509 4.663 0 40 HJAB CCc1cccc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)c1 38651721 XARRNLQWIUAHJD-UHFFFAOYSA-N 403.507 4.635 0 40 HJAB Cc1nc2ccnn2c(C)c1CCC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 40151290 WVYUKTHTUOTTMJ-UHFFFAOYSA-N 418.472 4.527 0 40 HJAB O=C(c1cccnc1N1CCCCC1)N1CCCc2cc(OC(F)(F)F)ccc21 48301485 DOLKBSKAWDLRCG-UHFFFAOYSA-N 405.420 4.564 0 40 HJAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1ccc(F)cc1Cl 49030314 PFDNPHUVSOPPHK-HNNXBMFYSA-N 402.853 4.509 0 40 HJAB Cn1c2c(sc1=O)[C@H](c1ccccc1)CC(=O)N2c1cccc(OC(F)(F)F)c1 49550110 IQEYPSJBNKETJI-HNNXBMFYSA-N 420.412 4.546 0 40 HJAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(Cc1cccnc1)CO3 57405808 HMUBPVSNVRXSHA-UHFFFAOYSA-N 412.489 4.748 0 40 HJAB Cc1ccc(Cl)cc1-n1nnc(C(=O)Nc2ccc(Br)cc2)c1C 57530713 UVIIUNGLQYCOAU-UHFFFAOYSA-N 405.683 4.552 0 40 HJAB O=C(CCOCC(F)(F)F)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 60302914 SRUXJIXSJCLGMV-UHFFFAOYSA-N 421.246 4.886 0 40 HJAB CN(c1ccsc1C(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 67245624 RGSYHVOTFIXWET-UHFFFAOYSA-N 424.906 4.618 0 40 HJAB COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)CCCN(C)c2ccccc2)c1 72380414 JYFQKTBTGQJLEZ-QHCPKHFHSA-N 418.541 4.665 0 40 HJAB COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc(OC)c1OC 85411991 AYDJGXBTSNSDBT-IBGZPJMESA-N 417.531 4.594 0 40 HJAB COc1ccc(C)cc1NC(=O)CN(Cc1cccc(-c2cccnc2)c1)C1CC1 89618603 NBYNTEDAZGMGLK-UHFFFAOYSA-N 401.510 4.669 0 40 HJAB COc1ccccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c21 96115120 XJVIUGDRYMLYCD-INIZCTEOSA-N 414.413 4.615 0 40 HJAB biogenic COc1cccc(N[C@@H]2COC3(CCN(Cc4ccc(Cl)c(F)c4)CC3)C2)c1 96221486 ZZJCFSWPNLPCOJ-SFHVURJKSA-N 404.913 4.723 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c(F)c1 98072702 NKWREBCIWADYEF-UHFFFAOYSA-N 412.202 4.716 0 40 HJAB COc1ccc(C(=O)[C@@H](C(=O)C(F)(F)F)C23CC4CC(CC(C4)C2)C3)cc1OC 100127460 KQHPQHSKJKPGGW-GZDOSPBESA-N 410.432 4.851 0 40 HJAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 102093646 VWUDQRBJMAYMFX-LKTQXZJLSA-N 409.869 4.840 0 40 HJAB COc1ccc([C@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c(OC)c1 102738484 PXVWUDVTKJICNL-NSPYISDASA-N 424.482 4.777 0 40 HJAB CCN(C)C[C@H]1CCN(C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 106920106 SGYKJAXCPUJTRV-WZONZLPQSA-N 417.018 4.963 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222864818 WSWBJDYHDCYSFC-QGZVFWFLSA-N 416.562 4.558 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCc1cccc2ccccc12 223191369 YZPYCGNEGOGPJG-QHCPKHFHSA-N 422.956 4.979 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223894111 QWYUWMYKEBQTLI-OPAMFIHVSA-N 409.526 4.760 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C)c3C)cc2C)cc1 224010962 OUVHLKQLOPWVHS-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)ccc1NC(=O)C(C)C 224077640 NJNIWBXMMXXOPJ-LEWJYISDSA-N 420.538 4.755 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 224238727 HAARTPQMTIGXDM-XMMPIXPASA-N 422.569 4.548 0 40 HJAB Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1C 224675775 WBMFHQMYYWKMQN-NRFANRHFSA-N 422.569 4.548 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 225224581 NIZXOYZSKIVNIR-QFIPXVFZSA-N 414.977 4.833 0 40 HJAB COc1cccc(-c2noc(CN(C)C(=O)CCc3ccc(Cl)cc3Cl)n2)c1 225380994 XQOBANGYTUPVDU-UHFFFAOYSA-N 420.296 4.643 0 40 HJAB CC(C)Oc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225582921 MRSLICLKIVQDQH-UHFFFAOYSA-N 418.940 4.795 0 40 HJAB CC(C)Cn1cnc2c1C1(CCN(C(=O)c3cccs3)CC1)Oc1ccccc1-2 306134406 NMKQXIVJKLHVBP-UHFFFAOYSA-N 407.539 4.792 0 40 HJAB COc1ccc(COCCCNC(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cc1 589727950 COVZXFVQJGVUHE-UHFFFAOYSA-N 421.497 4.919 0 40 HJAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 1848353971 SFQDQDWHMZDLLF-LJQANCHMSA-N 406.873 4.772 0 40 HJAB CCOc1cc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc(OCC)c1OCC 645444 CHNTVHWKBXYWAT-UHFFFAOYSA-N 412.438 4.517 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc3ccccc3c(=O)o2)sc2c1CCCCC2 650181 XTQXUESGFBGXQG-UHFFFAOYSA-N 411.479 4.552 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c1 863703 VHFYMUGSRADVSJ-UHFFFAOYSA-N 414.534 4.897 0 40 HJAB CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@@H](C(C)C)OC3 1250515 HZDQYOCHDKNLSW-INIZCTEOSA-N 400.569 4.965 0 40 HJAB Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2cccc(O)c2)n1 1315222 VPXXKRWWLHWHSM-JOCHJYFZSA-N 412.445 4.569 0 40 HJAB O=c1c2c(nc(SCc3cccc(F)c3)n1-c1ccc(Cl)cc1)CCS2 2720003 CGXFLBUIVUNCFJ-UHFFFAOYSA-N 404.919 4.966 0 40 HJAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)CSc2cc(C)c3ccccc3n2)cc1 3222916 JEGBEGOVNSFASA-MRXNPFEDSA-N 408.523 4.768 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1ccc2nn(-c3ccc(C)c(C)c3)nc2c1 4180184 SZFIZSFCBPCZOJ-UHFFFAOYSA-N 406.873 4.952 0 40 HJAB O=C(CSc1nnc(C2CCCCC2)n1-n1cccc1)Nc1ccccc1Cl 4518666 UHZOLHFAVYWABY-UHFFFAOYSA-N 415.950 4.823 0 40 HJAB CCCc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(=O)OCC 4660857 JYXFTAMWZQRAMQ-UHFFFAOYSA-N 415.511 4.980 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccccc2Cl)o1 4700009 FXVRXYZASCBUFB-UHFFFAOYSA-N 403.891 4.595 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3cc2C)CC(C)(C)CC4=O)cc1 4735789 BQOAJXGNSNHRHI-UHFFFAOYSA-N 413.495 4.706 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4Cl)[C@@H]3C2=O)cc1 5085964 CNTPOBMIWIPEHC-BDTNDASRSA-N 418.880 4.700 0 40 HJAB CCOC(=O)c1cnn(-c2nc(-c3ccc(Cl)s3)cs2)c1C(F)(F)F 5871621 GXJNKTAQAGUPBA-UHFFFAOYSA-N 407.826 4.906 0 40 HJAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1Br 6084406 SRXIFEHHFYJNSQ-UHFFFAOYSA-N 403.059 4.551 0 40 HJAB COc1ccc(-c2nc(CSc3nc(-c4ccccc4)n[nH]3)cs2)cc1OC 6178259 JMODDLURKBJCSA-UHFFFAOYSA-N 410.524 4.905 0 40 HJAB COC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)nc1C 6279049 CREYWBKSBQMKFG-UHFFFAOYSA-N 407.451 4.607 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc(Cl)cc1Cl 6284505 FNMDWGZMHZMTRE-JTQLQIEISA-N 403.103 4.840 0 40 HJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NC1CCCC1 6830959 QWVQYVFPXXVMRO-UHFFFAOYSA-N 412.946 4.739 0 40 HJAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2ccccc2c1 6876357 ZSZCLDFXXWZSAD-UHFFFAOYSA-N 414.914 4.530 0 40 HJAB O=C(N[C@@H]1CCOc2ccccc21)c1cn(-c2ccccc2)nc1-c1cccs1 7215336 MMVAZTDZYVYXSS-LJQANCHMSA-N 401.491 4.854 0 40 HJAB Cc1ccc(-n2c(SCc3cn4cccc(C)c4n3)nc3ccccc3c2=O)cc1 7755918 DYIULECKNPGUOW-UHFFFAOYSA-N 412.518 4.943 0 40 HJAB COc1ccc(O)c(C(=O)c2cc(-c3nnc(-c4ccccc4)o3)n(C(C)C)c2)c1 7778794 MHVRDQRCAILZPL-UHFFFAOYSA-N 403.438 4.731 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)CCCNc1nc(C)c(C(C)=O)s1 7813323 KIIWRPKMXLJNOO-UHFFFAOYSA-N 403.548 4.791 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(F)c2)N1Cc1cccnc1 9309659 RVUNOODCRCEYHV-HXUWFJFHSA-N 420.827 4.726 0 40 HJAB Cc1cccc(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)c1C 9517694 DQWNXMRCGJVKLS-UHFFFAOYSA-N 423.929 4.817 0 40 HJAB CCn1c(CC(=O)Nc2ccccc2Cl)nnc1SCc1ccc(F)cc1 9582392 KMZGCPKPYCFFST-UHFFFAOYSA-N 404.898 4.564 0 40 HJAB C/C=C/c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(OC)c1 11180688 KBEZDMWYHKEPRM-ZZXKWVIFSA-N 406.438 4.591 0 40 HJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2C[C@@H](C)C[C@@H](C)C2)cc1 12419430 MJVGAHJLDCFNMM-IYBDPMFKSA-N 400.500 4.558 0 40 HJAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(C2SCCS2)cc1 12872158 RFZSZTPCJAIBDO-UHFFFAOYSA-N 422.522 4.544 0 40 HJAB COCc1c(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)oc2ccccc12 12903304 USNWVSQPEYHRQL-UHFFFAOYSA-N 406.360 4.809 0 40 HJAB COc1ccc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c(OC)c1 12926064 XSEHPVUQWRYJPV-UHFFFAOYSA-N 418.902 4.953 0 40 HJAB COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c1 13003428 NVCLLALCOYBXJB-UHFFFAOYSA-N 404.344 4.812 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1Cl 20142427 DQZNXWFTFNEWNB-UHFFFAOYSA-N 401.846 4.752 0 40 HJAB COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)c1 26771774 ROXJCVJZPAJKGV-MNUWPZSJSA-N 421.537 4.612 0 40 HJAB biogenic Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)Cc1nc(-c2ccccc2)no1 32543439 QCOBQDAFSJLCFK-UHFFFAOYSA-N 421.932 4.884 0 40 HJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 32740626 GCQWPWNNKZBGSA-DHZHZOJOSA-N 421.541 4.505 0 40 HJAB COc1cc(CCC2CCN(C(=O)c3ccc4ncsc4c3)CC2)cc(OC)c1 32871422 HUBOHHNKIKSBAS-UHFFFAOYSA-N 410.539 4.799 0 40 HJAB C[C@@H](Nc1nc2ccccc2s1)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 32902867 ZAYRSSAPHJIBIO-VXGBXAGGSA-N 415.469 4.719 0 40 HJAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33902349 QQEHDZXXCDSAFE-JBSAMAPISA-N 406.950 4.544 0 40 HJAB biogenic,in-vitro O=C1C[C@H](C(=O)Nc2ccccc2N2CCc3sccc3C2)c2ccc(F)cc2N1 40134139 FAWXRVIJPDTQRQ-KRWDZBQOSA-N 421.497 4.514 0 40 HJAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 44852670 DIICXXXABWXOGN-OAQYLSRUSA-N 414.549 4.751 0 40 HJAB CCc1c(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)[nH]c(C)c1C(C)=O 52724937 VVTPUOOKQYWMDE-UHFFFAOYSA-N 411.889 4.968 0 40 HJAB CCOc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 57486698 UEQUPMDTWHPLDI-UHFFFAOYSA-N 422.872 4.896 0 40 HJAB Cc1cc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@@H](C(C)C)N(C)C)no1 58005808 NNCWGXYYXRINHW-KRWDZBQOSA-N 413.349 4.910 0 40 HJAB C[C@@H](NC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1)c1ccncc1 58420365 VQAGYZORJPSBPW-CYBMUJFWSA-N 413.275 4.914 0 40 HJAB CC[C@H]1c2cc(CO)ccc2N(Nc2ncc(C(F)(F)F)cc2Cl)N1S 64220219 WACSWDQOWLGNOW-ZDUSSCGKSA-N 404.845 4.606 0 40 HJAB CCCN(CCC)C(=O)CSc1nccn2nc(-c3ccc(OCC)cc3)cc12 67290327 JNLDIVHDOMDHHP-UHFFFAOYSA-N 412.559 4.536 0 40 HJAB O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 72359180 AIZRUKHHTHVSJT-IBGZPJMESA-N 407.464 4.761 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(-n3ccnc3C(C)C)n2)cc1 72378928 JAHNYOMFMQTTQC-JOCHJYFZSA-N 418.541 4.696 0 40 HJAB Cn1c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc2cc(Cl)ccc21 79492905 UZMVOGIVKNPWFN-UHFFFAOYSA-N 403.309 4.609 0 40 HJAB COC(=O)c1c(C)[nH]c(-c2cccc(OC)c2)c1[C@@H]1C(=O)Nc2ccc(Cl)cc21 101633685 XVPZPIJLVZQPIB-GOSISDBHSA-N 410.857 4.523 0 40 HJAB Cc1nc(-c2ccccc2NC(=O)[C@@H](C)n2nc(-c3cccs3)ccc2=O)cs1 208009004 XNUJIYSHIHJEPE-CYBMUJFWSA-N 422.535 4.603 0 40 HJAB O=C(c1csc(NCc2ccccc2Cl)n1)N1CCO[C@H](c2ccccc2)C1 218292408 AKLQJWHLRXWXPZ-IBGZPJMESA-N 413.930 4.622 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 222446339 RHEWBOSVDKKTEN-DEOSSOPVSA-N 424.585 4.829 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 223208745 VEAKICUHAWIOPF-HSZRJFAPSA-N 424.585 4.713 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 223703087 NSYLHTHYZLYMKS-JOCHJYFZSA-N 412.599 4.811 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 224592898 XJDSDYDLKOLCHK-XMMPIXPASA-N 408.586 4.734 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 224732328 YZMSQVOJYKIYOP-FQEVSTJZSA-N 412.599 4.562 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 225092120 DCWDKDKUOROOGE-IRXDYDNUSA-N 418.940 4.662 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)cc1 225535554 OCRLNXLRZMKDLU-KRWDZBQOSA-N 418.990 4.682 0 40 HJAB C[C@@H](Nc1ccccc1F)C(=O)N1CCC(c2ccnc(Nc3ccccn3)c2)CC1 257218169 DCDABLPAYSWPGW-QGZVFWFLSA-N 419.504 4.566 0 40 HJAB O=C(NCc1ccc(F)cc1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257238212 HJZSDJHBDVQNDG-UHFFFAOYSA-N 404.485 4.543 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1S(=O)(=O)Nc1ccccc1 408615900 ULCCQYYFIHNMNN-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB O=C(O)/C(=C/c1ccc(I)cc1)Sc1nc2ccccc2o1 408632923 HPHXMTRLTAITNS-ZROIWOOFSA-N 423.231 4.650 0 40 HJAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1OCc1cccc(F)c1 409082301 SDWYHEIOHHWEQE-XDHOZWIPSA-N 401.459 4.860 0 40 HJAB O=C1N/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1c1ccc(Cl)cc1 409236924 ICWSVGVOOFKCDJ-FRKPEAEDSA-N 416.662 4.681 0 40 HJAB O=C(c1ccc(C(=O)N2CCC[C@H]2C2CCCC2)nc1)N1CCC[C@H]1C1CCCC1 563671350 URXJUJPIDVCWMH-GOTSBHOMSA-N 409.574 4.671 0 40 HJAB O=C([C@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 588928383 GFMUTLCYEWWCCN-IRXDYDNUSA-N 406.452 4.546 0 40 HJAB O=C(c1cccc(F)c1Sc1ccccc1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 681683989 BHXKUVBKDRAJDZ-XMMPIXPASA-N 418.493 4.713 0 40 HJAB O=C(Nc1ccc(Cl)cc1Cl)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 1672370476 YCNXCXZRIYUASC-VIFPVBQESA-N 405.207 4.824 0 40 HJAB Cc1cc(Br)cc(C)c1NC(=O)Cn1nc(-c2ccccc2)oc1=S 639389 ZRNXAMJFQRTITN-UHFFFAOYSA-N 418.316 4.891 0 40 HJAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCC(C)C)c(Cl)c3n2)cc1 659337 IWGRUVUMUCDNRA-UHFFFAOYSA-N 410.827 4.763 0 40 HJAB Cc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2-c2ccccc2F)cc1 721454 WDGLRZZSLSCFDQ-UHFFFAOYSA-N 414.469 4.962 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)o2)cc1 892363 ZIJXBFKKJZFZAH-UHFFFAOYSA-N 419.462 4.529 0 40 HJAB Cc1ccc(-c2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)c3ccccc23)cc1 1240999 UUOLGBDUIXDDHL-UHFFFAOYSA-N 403.869 4.664 0 40 HJAB COc1cccc(-c2noc([C@H]3CCCN(C(=O)Nc4cccc(Cl)c4)C3)n2)c1 1360435 OHVBOVJMEDHJQY-HNNXBMFYSA-N 412.877 4.810 0 40 HJAB CCc1cccc2c([C@H](CC(=O)c3ccc(Br)cc3)C(=O)O)c[nH]c12 3108038 KLXYVIOGRJNDNV-INIZCTEOSA-N 400.272 4.934 0 40 HJAB OCCCNc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 3280480 RVXSHLDJIBNVFG-UHFFFAOYSA-N 405.976 4.920 0 40 HJAB CN1CCN(c2ccc(Cl)cc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 3553050 YJVLJLMJZOVLKH-UHFFFAOYSA-N 422.356 4.541 0 40 HJAB CC1(C)CC(=O)C(C(c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 4074224 APEZYTJHJIOQLV-UHFFFAOYSA-N 402.918 4.572 0 40 HJAB CC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1Cl)C[C@@H](c1ccc(Cl)cc1)N2 5157885 UJZBNLCNDSLHTC-DLBZAZTESA-N 402.285 4.690 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 7990772 HSNGKMPGWPSHKE-UHFFFAOYSA-N 403.482 4.645 0 40 HJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCc4ccccc4C3)cc12 8392286 LQNRXHJFWVDZHO-UHFFFAOYSA-N 405.498 4.792 0 40 HJAB Cn1nc(C2CCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccccc1 8635316 HQSJCOKBISYHAW-TYPHKJRUSA-N 408.546 4.504 0 40 HJAB biogenic,in-vitro C[C@H]1CCc2c(sc3ncnc(N4CCC[C@H](c5nnc6n5CCCCC6)C4)c23)C1 9114253 QUOWRXJZZDSSFE-HOTGVXAUSA-N 422.602 4.518 0 40 HJAB COc1cccc(C(=O)N(C(=O)N2CCCCC2)c2ccc(Cl)cc2)c1OC 9317767 XQQZXLVCAQUCNG-UHFFFAOYSA-N 402.878 4.610 0 40 HJAB Cc1ccc(Oc2ccccc2NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 9468968 VLPQUOUJZIVVCO-UHFFFAOYSA-N 417.509 4.675 0 40 HJAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cn(-c2ccccc2)nc1-c1ccccc1 9728048 SMRXMPSRTDWRCL-UHFFFAOYSA-N 422.488 4.918 0 40 HJAB COc1cccc(C(=O)N2c3ncnn3[C@@H](c3ccc(C)cc3)C[C@@H]2c2ccccc2)c1 10060308 YFKWNKXERRLMPB-DNQXCXABSA-N 424.504 4.976 0 40 HJAB Cc1cc(-c2csc(NC(=O)CCNC(=O)c3ccc(F)cc3F)n2)c(C)s1 10191084 VYECHCPDVWXNQD-UHFFFAOYSA-N 421.494 4.525 0 40 HJAB Cc1ccc(N2C[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1F 11665895 MCVKFUJQTBPUCW-CYBMUJFWSA-N 405.351 4.723 0 40 HJAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1cc(Cl)ccc1N1CCCCC1 12527170 FTPOYSOFJSZHTG-KRWDZBQOSA-N 411.933 4.860 0 40 HJAB C[C@@H]1CCC[C@H](NC[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H]1C 12531718 ZRHSCMXFOILLCB-UOGRCSNTSA-N 403.513 4.846 0 40 HJAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC(c3ccccc3)c3ccccc3)ccc12 12808864 KSTNDNXXULOYIT-SFHVURJKSA-N 413.473 4.775 0 40 HJAB Cc1ccc(-c2nnc(S)n2CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 12988802 XPNFKVNAJFXHME-UHFFFAOYSA-N 421.353 4.508 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3cccnc3)ccc2c1N 13228290 NTEZULGGQOFLDL-UHFFFAOYSA-N 410.886 4.855 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2C)c(C)c1 13674342 RQMCAMBGMJOBHS-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB Cc1ccc(CNC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)cc1 13961856 SVYVBJWIDXJLCU-UHFFFAOYSA-N 402.498 4.515 0 40 HJAB Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cn2ncn(C)c2=S)cc1C 14217097 USHZMPLILDDNPT-UHFFFAOYSA-N 418.570 4.510 0 40 HJAB Cc1ccc(NC(=O)[C@H]2CC=CCC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 15822766 ALFFIRWAVMVFIK-HNNXBMFYSA-N 404.919 4.744 0 40 HJAB COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2cc(C)cc(C)c2)cs1 15880764 FTPOGPUIUATXSR-UHFFFAOYSA-N 410.499 4.594 0 40 HJAB Cc1ccc(C(=O)NCc2ccc(-c3n[nH]cc3C(=O)N(C)c3ccccc3)cc2)cc1 19135585 SODBQDXUYSDALC-UHFFFAOYSA-N 424.504 4.592 0 40 HJAB Cc1onc(C(C)C)c1C(=O)N1CCO[C@H](c2ccc(-c3ccccc3F)cn2)C1 19692477 PQTGGKMYRJXRJY-FQEVSTJZSA-N 409.461 4.521 0 40 HJAB CCCOc1ccc(C(=O)Nc2ccc(-c3nn4c(CCC)nnc4s3)cc2)cc1 20609811 OOYDIWMNDOWYEX-UHFFFAOYSA-N 421.526 4.846 0 40 HJAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(OCc2cn3ccccc3n2)c1 23387887 UPUCPYPCUGMNMY-DLBZAZTESA-N 417.431 4.764 0 40 HJAB COc1ccccc1CNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 24926592 YBYBUHKOXGLAKG-UHFFFAOYSA-N 406.429 4.696 0 40 HJAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 26394419 HDOCLFDGNBKRIC-GOSISDBHSA-N 424.522 4.779 0 40 HJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 27389089 TUJSCQNUYYFMRT-CQSZACIVSA-N 415.559 4.822 0 40 HJAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1nnc(Cc2ccccc2)s1 30560648 DRVGWMUVZKAQNJ-UHFFFAOYSA-N 424.526 4.876 0 40 HJAB Cc1ccc(C)c2c(=O)cc(CSCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c12 33064127 VSQKTKPFTHUDLQ-UHFFFAOYSA-N 404.894 4.809 0 40 HJAB Cc1ncc(NC(=O)[C@H](C)Oc2ccccc2)n1-c1nc(-c2ccccc2)cs1 35682935 KCGYLQLOMUXCFW-HNNXBMFYSA-N 404.495 4.710 0 40 HJAB CCCCc1ccc(NC(=O)CC[C@H]2N=C(O)N([C@@H](C)c3ccccc3)C2=O)cc1 36594145 ITUPIAQLBSKHCA-LAUBAEHRSA-N 407.514 4.634 0 40 HJAB CN(Cc1ccc(Br)s1)C(=O)Cc1ccc(OC(F)(F)F)cc1 48340017 ZCPQJKSUUPZYCM-UHFFFAOYSA-N 408.239 4.610 0 40 HJAB FC(F)(F)c1nc(N2CCN(Cc3ccc(Cl)s3)CC2)c2ccccc2n1 58160020 CVFNKBBSMQRVIF-UHFFFAOYSA-N 412.868 4.686 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c(Br)c1 58365920 VSAYANZJOBGPCU-UHFFFAOYSA-N 409.330 4.682 0 40 HJAB O=C(NCCc1ccc(Br)s1)c1cccnc1Nc1cccc(F)c1 58414306 XHIQVDWIPCBMAU-UHFFFAOYSA-N 420.307 4.761 0 40 HJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccccc2Cl)nc1 67294333 WCLHTVBKEYNHCN-LVWGJNHUSA-N 405.841 4.980 0 40 HJAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]1c1ccc(I)cc1 72303779 HYZHAULMGICIEH-SFHVURJKSA-N 416.262 4.750 0 40 HJAB COc1ccc(CN2CCCC[C@@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 72373153 NIGFCWPBZVFLLQ-OFNKIYASSA-N 409.574 4.738 0 40 HJAB CC(C)c1nccn1-c1cccc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 72378896 SDDZYHYOAMWICJ-JOCHJYFZSA-N 413.525 4.778 0 40 HJAB Fc1ccc(-c2cc(CNC(c3ccccc3)c3ccccc3)c3nnnn3c2)cc1 72392354 QVRBMKUGFKYDEQ-UHFFFAOYSA-N 409.468 4.810 0 40 HJAB Oc1nc(/C=C/c2csc(-c3ccco3)n2)nc2c1CCN(Cc1ccccc1)C2 89835017 GKOBTVLVKKSFOC-CMDGGOBGSA-N 416.506 4.627 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1ccco1)C1CCOCC1 96097101 UTPFUAQGOWRPPS-UHFFFAOYSA-N 400.862 4.718 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(F)c(Cl)c2)S1 96118461 NEYDNDXKHZZWSU-BLLLJJGKSA-N 409.914 4.985 0 40 HJAB CN1c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2C(=O)N2CCCC[C@@H]21 97096706 ILRPVKKYVVCONA-GOSISDBHSA-N 404.297 4.648 0 40 HJAB COC(=O)CN[C@@H](c1ccc(C)cc1)c1ccccc1NC(=O)c1cccc(Cl)c1 97165880 PSIYDLYSGJXJJX-QHCPKHFHSA-N 422.912 4.753 0 40 HJAB C[C@@H](NC(=S)NC(=O)c1cc(Br)ccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102203016 QYABROLKQQINBV-BLFANLJRSA-N 415.784 4.532 0 40 HJAB COc1cccc(CN(C)C(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c1 102957901 ZQTYNYQFQUEVSY-FBIZOPLVSA-N 406.364 4.778 0 40 HJAB CC(=O)c1c(Nc2ccccc2SCC(=O)Nc2ccccc2)oc(C)cc1=O 103782603 MVDCMCQNIBESEH-UHFFFAOYSA-N 408.479 4.625 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219685100 INHGVLNJUIBJCQ-GUYCJALGSA-N 404.304 4.635 0 40 HJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 222882160 JCOOJETZURYCGO-QFIPXVFZSA-N 406.482 4.568 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1Cc1ccco1 223331487 KAWGUNJNCRBCFQ-HZPDHXFCSA-N 420.357 4.671 0 40 HJAB Cc1ccc(CN2CCC(C(=O)NCCOc3ccccc3C(C)(C)C)CC2)cc1 223717085 RMBYXNRZSJLZJI-UHFFFAOYSA-N 408.586 4.700 0 40 HJAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1COc1ccccc1 224364218 SNUILERORQANLW-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 225054169 OXTCFVBGKNULCH-WOJBJXKFSA-N 412.599 4.728 0 40 HJAB CC(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C)c1ccccc1 225712988 OMWLICHRXIBCMN-GOSISDBHSA-N 418.584 4.710 0 40 HJAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)cc1Cl 225791334 WHFPEIHRNIOBHM-OAHLLOKOSA-N 420.962 4.887 0 40 HJAB COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3cccc4ccccc34)no2)cc1 225830318 VPUGUEQVTBWVOH-MRXNPFEDSA-N 401.466 4.708 0 40 HJAB O=C(O)c1ccc(CN2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)cc1 257280587 OLLOZPZACODKQP-LJQANCHMSA-N 410.901 4.997 0 40 HJAB O=C(NCc1cccc(F)c1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257343785 ZUKGHJTULWKHSV-UHFFFAOYSA-N 404.485 4.543 0 40 HJAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc(C)c1Br 408641945 LMQURUQTOPJOQR-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB O=C(O)[C@H]1CN[C@H](c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)S1 408975285 AAMRBZSJEBKTOG-MSOLQXFVSA-N 407.322 4.785 0 40 HJAB COc1ccccc1OCc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 409179960 RCQXLWPUTCOTCR-UHFFFAOYSA-N 410.853 4.967 0 40 HJAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 409365497 ZTVOAVJUKNCKKO-UHFFFAOYSA-N 408.523 4.676 0 40 HJAB O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc(-c2ccsc2)cc1 585304582 AWIKMVIMLVHVGX-SFHVURJKSA-N 417.456 4.838 0 40 HJAB Brc1ccc(-c2nn3c(CSCc4ccccc4)nnc3s2)o1 1501039871 CFZLQIVEVAQJIF-UHFFFAOYSA-N 407.318 4.642 0 40 HJAB COc1ccc(C(=O)N[C@@H](CCc2ccccc2)c2ccc3c(c2)OCCO3)cc1 668003 QKJOCHPGOQVCIT-QFIPXVFZSA-N 403.478 4.570 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1OC 793556 PHIREEBXEVROBM-UHFFFAOYSA-N 416.934 4.666 0 40 HJAB CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1Cl 1264724 IYTMRGUGIQHSHJ-UHFFFAOYSA-N 409.895 4.614 0 40 HJAB Cc1c(C(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)c2ccccc2n1C 2094788 RXVLWKABOYRLDI-UHFFFAOYSA-N 401.462 4.734 0 40 HJAB biogenic Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(Br)cc2)c1C 2723056 BDDWQBYOBXWRJT-UHFFFAOYSA-N 416.344 4.982 0 40 HJAB Cc1nc2c3ccccc3nc(SCC(=O)c3ccc(Cl)c(Cl)c3)n2n1 2968892 GSNZRAZHRXUNIK-UHFFFAOYSA-N 403.294 4.868 0 40 HJAB COc1ccc2nc(NC(=O)CCCOc3ccc(Br)cc3)sc2c1 3361075 ACIUEDFSYHFPEL-UHFFFAOYSA-N 421.316 4.865 0 40 HJAB CN(C(=O)c1ccccc1C(=O)OCc1nc2ccccc2s1)c1ccccc1 3567768 QBFXTKFYHHXFFC-UHFFFAOYSA-N 402.475 4.930 0 40 HJAB Cc1c(CC(=O)N[C@H](C)c2ccccc2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 4089381 IPSOWELRKOENJV-MRXNPFEDSA-N 405.494 4.625 0 40 HJAB biogenic COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)cc2)N(c2ccccc2)C3=O)cc1 4888942 OVQYAMRKGIIDTM-DEOSSOPVSA-N 411.461 4.844 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc2ccccc12 5595575 DMRLQVMSNRXFRM-UHFFFAOYSA-N 400.400 4.948 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 6249068 CXKPQGGOABYIJX-HNNXBMFYSA-N 403.320 4.845 0 40 HJAB Cc1cc(OCC(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)ccc1Cl 6425098 CSQZRXARTKWTLK-UHFFFAOYSA-N 415.873 4.513 0 40 HJAB CCOc1ccc2nc(NC(=O)CSc3ccc4c(c3)OCCCO4)sc2c1 6587132 NAMSWCKRCADDLD-UHFFFAOYSA-N 416.524 4.587 0 40 HJAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 6790321 SAFHHEYXZPZWSB-UHFFFAOYSA-N 416.886 4.692 0 40 HJAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2nc3ccccc3s2)C1=O 6790448 HUFPYNGKSSULMI-GOSISDBHSA-N 406.294 4.570 0 40 HJAB Cc1cc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)no1 6875737 YCGDUUJJIKNHJN-VQTJNVASSA-N 409.511 4.620 0 40 HJAB O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 7344703 PPNMXQKAAFQVTD-OAQYLSRUSA-N 418.924 4.918 0 40 HJAB COc1ccc([C@H](CNC(=O)COc2ccccc2C)c2c[nH]c3ccccc23)cc1 7890047 ZAFOTLLTCMCNQD-QFIPXVFZSA-N 414.505 4.812 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1cccc(C)c1 8113784 HRSHSYFJRUIVHP-UHFFFAOYSA-N 404.898 4.797 0 40 HJAB Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)c1 8664943 HNGRPAKDSOUZLR-NRFANRHFSA-N 400.409 4.694 0 40 HJAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccccc3Br)sc2c1 8903588 LNSRNNGXHFEKHX-UHFFFAOYSA-N 419.300 4.876 0 40 HJAB COc1ccc(-c2nc(NC(=O)c3cc(Cl)c4c(c3)OCO4)sc2C)cc1 8935854 GTIPGPSHDBZZKF-UHFFFAOYSA-N 402.859 4.762 0 40 HJAB Cc1ccc(SCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 9063283 PINDGSWBTPIMRX-UHFFFAOYSA-N 402.991 4.769 0 40 HJAB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3cc(C)on3)c2C)cc1 9525780 HPTXCESRCFCMHS-UHFFFAOYSA-N 415.449 4.611 0 40 HJAB CCN(CC)CCCNC(=O)C[C@@H](C)CC(=O)N(c1ccccc1)c1ccccc1 9849800 QGJWUHKHRHHYSY-OAQYLSRUSA-N 409.574 4.616 0 40 HJAB COc1ccc(C2=NN3[C@H](c4ccc(OC)cc4)Oc4ccc(OC)cc4[C@H]3C2)cc1 12124307 LKCCESQZLITANT-NOZRDPDXSA-N 416.477 4.955 0 40 HJAB O=C(CCc1nnc(-c2ccsc2)o1)N[C@@H](c1ccc(F)cc1)c1cccs1 12738331 ZCNWFEYTFIXIPJ-IBGZPJMESA-N 413.499 4.837 0 40 HJAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(Br)o2)c1 12763838 SLENSBHHNPDAFR-UHFFFAOYSA-N 415.243 4.555 0 40 HJAB CCOc1ccc(CN(CC)C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1OC 12785496 XPRJCMSOLOSISS-UHFFFAOYSA-N 422.481 4.602 0 40 HJAB CN(Cc1ccc(OC(F)F)cc1)C(=O)NCc1ccccc1OC(F)(F)F 13010374 XBVAAEVOPJWRRQ-UHFFFAOYSA-N 404.335 4.528 0 40 HJAB COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)COc1cc(C)cc(C)c1 13777790 KXRIDRCWFZINNE-HDYLNDSGSA-N 423.553 4.586 0 40 HJAB CCC(=O)Oc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1OC 13928758 LPXDUBCYAOKZPD-NVNXTCNLSA-N 420.248 4.662 0 40 HJAB O=C(Nc1nnc(-c2ccco2)s1)c1cc(-c2ccccc2)nn1-c1ccccc1 14093314 CKRNLSAWIYZHRN-UHFFFAOYSA-N 413.462 4.903 0 40 HJAB CCN(Cc1cccc(F)c1)C(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 14185810 LGJIDZUJIGQAJQ-UHFFFAOYSA-N 412.461 4.680 0 40 HJAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 14398642 MAIQJEPDPZGYID-GFCCVEGCSA-N 402.318 4.949 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1 15992594 IGBRGUAGWROCCI-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)c1 17082712 QZPQCGLPJFHJHD-UHFFFAOYSA-N 403.507 4.683 0 40 HJAB Cc1ccc(OCCN(C)Cc2nc(-c3cccnc3OC3CCCCC3)no2)cc1 19211065 GFTSSNOVARVEQC-UHFFFAOYSA-N 422.529 4.662 0 40 HJAB Cc1cccc(-c2ccc(CC3(C(=O)N(C)C)CCN(C(=O)C(C)C)CC3)cc2)c1 19700518 QAISQXFBEIUEDD-UHFFFAOYSA-N 406.570 4.558 0 40 HJAB O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(F)cc1)CN(Cc1ccccc1)CC3 19819695 JLTNWYVAEMNDPT-UHFFFAOYSA-N 423.538 4.807 0 40 HJAB COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1Cl 20044720 MENFJPUQMQNXBW-OAQYLSRUSA-N 401.915 4.725 0 40 HJAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 20152434 ABQPWOHUGOYHBE-UHFFFAOYSA-N 414.870 4.733 0 40 HJAB COc1ccc(CCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 22510347 NYOALAUYJIRLFV-UHFFFAOYSA-N 400.522 4.621 0 40 HJAB CC(C)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 28208557 DFJOVLFNCFHPLM-UHFFFAOYSA-N 414.571 4.556 0 40 HJAB Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)c2)cs1 32675949 HAPQNXHSNGCUMX-HNAYVOBHSA-N 405.523 4.667 0 40 HJAB O=C(Nc1ccc(-c2nccs2)cc1)c1cn(-c2ccccc2C(F)(F)F)nn1 32831709 VNKJULKMEZIAFC-UHFFFAOYSA-N 415.400 4.662 0 40 HJAB COc1ccc(CN(C)C(=O)c2cc3c(s2)CCCCCC3)c(OC)c1OC 32999656 IRLMDSJDISTYHC-UHFFFAOYSA-N 403.544 4.705 0 40 HJAB Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)cc1C 33067770 SLAMVCMLJOLKMW-UHFFFAOYSA-N 414.465 4.534 0 40 HJAB Cc1cccc(C(=O)NCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)c1 33628434 PXNMVBCFDSYLCB-UHFFFAOYSA-N 421.353 4.653 0 40 HJAB CCN(CC(=O)Nc1c(C)cccc1C(C)C)S(=O)(=O)c1ccc2ccccc2c1 33784061 MTFKPTZVUBUXPK-UHFFFAOYSA-N 424.566 4.921 0 40 HJAB O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCC[C@@H]1c1ccsc1 47674498 YFLFQZVCTNCLQL-MRXNPFEDSA-N 407.421 4.717 0 40 HJAB CSc1cccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(C)c2=O)c1 57528134 PBUIGNBMPVEKMA-UHFFFAOYSA-N 413.930 4.541 0 40 HJAB Cc1ccccc1OCCN(C)C(=O)c1cc2c(F)cc(Br)cc2[nH]1 58365324 DQLBXVJHQNBQHQ-UHFFFAOYSA-N 405.267 4.529 0 40 HJAB O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1cc2c(s1)CCCCCC2 64432693 MWUMKQGJIOZWCT-UHFFFAOYSA-N 414.596 4.848 0 40 HJAB CCc1ccc(-n2nc(-c3nc(-c4cccc(C)c4)no3)c3ccccc3c2=O)cc1 64950061 ICOSPRDFDOYORQ-UHFFFAOYSA-N 408.461 4.974 0 40 HJAB COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC4CCN(C)CC4)C=C3C)nc2c1 72320960 AMLHSQOAJHFNAH-JTAQYXEDSA-N 424.633 4.652 0 40 HJAB biogenic,in-vitro O=C(CCc1ccccc1)N1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 72371266 CHRRJYRDPPCKCF-LJQANCHMSA-N 423.944 4.633 0 40 HJAB CC(C)(C)NC(=O)N1CCC(Nc2ncnc3sc(-c4ccccc4)cc23)CC1 95467554 XOQQPGCWJFEMHN-UHFFFAOYSA-N 409.559 4.743 0 40 HJAB CC(C)n1c2ccccc2c2c1cc(C(=O)Nc1cccc(O)c1)n2C(=O)N(C)C 96146439 AZKHJHQRHYJKOW-UHFFFAOYSA-N 404.470 4.665 0 40 HJAB O=S(=O)(Nc1ccc(F)cc1F)c1ccc(Br)c(C(F)(F)F)c1 98072959 FJRTYIAWIVDLEA-UHFFFAOYSA-N 416.165 4.547 0 40 HJAB CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)s1 102341921 JDNUHGUKYOZZEW-QAMTZSDWSA-N 424.522 4.585 0 40 HJAB COc1ccc(CCNC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)cc1OC 103533926 SWXLLKOAXPBDLW-OZMJAHNMSA-N 419.565 4.901 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 223268385 DCGVYPUXXZHTSM-NRFANRHFSA-N 414.977 4.913 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 223748004 WERIIGGQXYIGDR-NRFANRHFSA-N 400.950 4.606 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 224275474 YHCISQVAOCXXNN-DEOSSOPVSA-N 406.570 4.712 0 40 HJAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 224496275 ONSMKHJREULQMH-UHFFFAOYSA-N 406.573 4.675 0 40 HJAB O=C(CSCc1ccc(Cl)cc1F)NCc1cccc(CN2CCCC2)c1 224638513 BTCMAOIPWARQLA-UHFFFAOYSA-N 406.954 4.625 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 224972451 XNRKKDCSVVWNNG-JOCHJYFZSA-N 414.977 4.505 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 225210360 KXRGEWLMMOHUHP-MSOLQXFVSA-N 416.562 4.558 0 40 HJAB COc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)c(OC)c1 225367546 CXRCLHBJBFEKJY-UHFFFAOYSA-N 414.955 4.716 0 40 HJAB O=C1CCCN1Cc1ccccc1CNC(=S)Nc1ccc(OC2CCCC2)cc1 225652966 CQWUAOUDGNWJPX-UHFFFAOYSA-N 423.582 4.617 0 40 HJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1 408606847 RIVIOHYPADUOQS-GOSISDBHSA-N 404.919 4.736 0 40 HJAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c(C)cc1Br 408643020 QNHPVMMNDBOUOF-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(Br)c(C)c1C 409180205 WZQBKDDKHKAWIV-UHFFFAOYSA-N 407.333 4.755 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)o2)cc1 409338267 GWACHIUYGPRRMF-UHFFFAOYSA-N 411.527 4.867 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2CC)cc1 409338629 NEIUWVNWANVKSC-UHFFFAOYSA-N 422.510 4.841 0 40 HJAB CC[C@@H](NC(=O)Nc1nnn(Cc2ccccc2F)c1C)c1cccc(Cl)c1 574706230 JXOYTZXZCWGBBH-GOSISDBHSA-N 401.873 4.700 0 40 HJAB Cn1cc([C@@H]2CN(C(=O)CCc3c(Cl)cccc3Cl)Cc3ccccc32)cn1 575618046 DHVBFWGZMWDZQG-IBGZPJMESA-N 414.336 4.834 0 40 HJAB Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)/C=C/c3ccco3)C2)n1 585292697 RCGKQJAKJCJVPP-JBVUFVISSA-N 402.498 4.849 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 798524 FAOMYKOXMLPKNA-UHFFFAOYSA-N 404.495 4.626 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)cc1 828083 VSZYPYUDKZLHAE-UHFFFAOYSA-N 413.264 4.988 0 40 HJAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NC1CCCCC1 901435 KXFQPYUQDOJUCG-UHFFFAOYSA-N 401.479 4.765 0 40 HJAB Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2C(=O)NC2CCCCC2)cc1 2136924 NJUGOTIEWHCALR-FOCLMDBBSA-N 421.566 4.584 0 40 HJAB aggregator O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1)c1ccccc1 2572083 NKRNJRQKVLUQKQ-DEOSSOPVSA-N 410.473 4.525 0 40 HJAB CCCCNc1nc(SCC(=O)Nc2ccc(OCC)cc2)nc2ccccc12 2941562 OERKXVYBMXXJST-UHFFFAOYSA-N 410.543 4.971 0 40 HJAB O=C(N[C@@H]1CCSC1=O)c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)nc1 3104789 HKSWNGUOFLXEJN-GFCCVEGCSA-N 417.701 4.596 0 40 HJAB O=CN(CCCC[C@H]1C(=O)N[C@H]2CCCC[C@H]2[C@@H]1c1ccccc1)c1ccccc1 4811796 HSUJEVIVQKZGOF-NGSHPTGOSA-N 404.554 4.908 0 40 HJAB Cc1ccc(-n2ncc3c2ncn2nc(COc4cc(C)ccc4C(C)C)nc32)cc1 4909663 JJWAUBIHKXFJTK-UHFFFAOYSA-N 412.497 4.782 0 40 HJAB Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1CNC(=O)C1CCCCC1 5304108 AQEAVRMRYFAQAV-UHFFFAOYSA-N 413.525 4.758 0 40 HJAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ccc(F)cc1 5466644 NKTWQNWJAVGSMQ-OAQYLSRUSA-N 410.876 4.657 0 40 HJAB CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 6048118 HMVVQPIJHGBKGP-AWEZNQCLSA-N 400.544 4.649 0 40 HJAB Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1Cc1ccc(F)cc1 6097230 OXSMKKGTNRLRAE-UHFFFAOYSA-N 412.534 4.585 0 40 HJAB CCOc1ccc(OCCOC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)cc1 6553030 BVUTWBYNZQWFNK-QGZVFWFLSA-N 405.494 4.994 0 40 HJAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 8367489 RPDAGHWFMUBQBO-IBGZPJMESA-N 416.550 4.821 0 40 HJAB O=S(=O)(c1ccccc1Cl)N1CCC[C@H]1c1nc(-c2ccccc2Cl)no1 8672101 LQJKYLSHHLNEMI-HNNXBMFYSA-N 424.309 4.569 0 40 HJAB O=C(NCCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccco1 8752653 BMLMJSGTKDHASG-UHFFFAOYSA-N 423.900 4.724 0 40 HJAB O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 8773118 SLXFWGSQZDLIMD-OAHLLOKOSA-N 423.357 4.585 0 40 HJAB CCOC(=O)c1ccc(Nc2nc(Nc3ccc(Cl)cc3)c3nccnc3n2)cc1 9074095 XTPOPDGVENHAMW-UHFFFAOYSA-N 420.860 4.737 0 40 HJAB COc1ccccc1N[C@H](CNS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 9128316 HJZRNRNXZQFCDA-MRXNPFEDSA-N 422.959 4.542 0 40 HJAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)NCc1ccc(Cl)cc1 9388167 SWJDSYFFDIQQII-UHFFFAOYSA-N 412.269 4.820 0 40 HJAB COc1ccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1Cc1ccccc1 10174423 SUJLQLIWCAYEGL-DEOSSOPVSA-N 404.485 4.857 0 40 HJAB O=C(Cn1ccnc1)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 10809623 HHLSEHIPLQTCCU-QGZVFWFLSA-N 413.308 4.620 0 40 HJAB CC[C@H](C(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1)c1ccccc1 11414814 PXNINEKJDBYQMW-IBGZPJMESA-N 408.523 4.870 0 40 HJAB CCCCc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 11613420 SCZHNBXPZNVXJZ-UHFFFAOYSA-N 404.518 4.538 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 12137233 PNPKYJGGZPNPAX-RBUKOAKNSA-N 402.494 4.892 0 40 HJAB CN(Cc1ccc(Br)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 12917750 YKTONPQGRRTUDK-UHFFFAOYSA-N 401.226 4.810 0 40 HJAB Cc1ccc(-c2csc3ncn(CCC(=O)Nc4cccc(F)c4)c(=O)c23)cc1 13000996 ZIYZGTJZXFOMOI-UHFFFAOYSA-N 407.470 4.601 0 40 HJAB COc1ccc(Br)cc1CN(C)C(=O)CCCc1c[nH]c2ccccc12 14069682 UMSUXZLWSYUOFI-UHFFFAOYSA-N 415.331 4.920 0 40 HJAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 14698689 FYKLDMPDTRINHA-UHFFFAOYSA-N 420.943 4.574 0 40 HJAB O=C([C@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)c1ccccc1)N1CCCC1 14897966 WQMGVSYSRRYDMY-XEDBTPMOSA-N 408.502 4.570 0 40 HJAB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)c1 15009099 FIDCQHVEXCLORU-ASQNEQQHSA-N 410.520 4.640 0 40 HJAB O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1cc(Cl)ccc1-n1cncn1 15321537 YNAPALIICZJMSW-UHFFFAOYSA-N 422.872 4.563 0 40 HJAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 17090128 CGDRLVYOTVRKKT-RUDMXATFSA-N 414.836 4.894 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)/C=C/c4ccco4)cc3O)oc2c1 17091815 XGCYPLSWKYRCOG-RMKNXTFCSA-N 419.462 4.628 0 40 HJAB CCCn1ncc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1C 19525914 VPYDVLFBGPHAOJ-UHFFFAOYSA-N 408.449 4.920 0 40 HJAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccc(Cl)c2)C1 19591713 RIIWVZRGFIJAGM-VWLOTQADSA-N 419.956 4.583 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)C[C@H]2CC(C)(C)OC2=O)n1 19691303 QOZHFQOZXADEHJ-GHTZIAJQSA-N 410.489 4.591 0 40 HJAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN4C4CCCC4)nc32)cc1 19695872 YDGZLFMAPJXDAY-JOCHJYFZSA-N 404.558 4.652 0 40 HJAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1cc(Cl)ccc1Cl 20494259 ZMDGDHORFGQGIP-UHFFFAOYSA-N 421.236 4.532 0 40 HJAB O=C1OC(c2ccccc2)=N/C1=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 20509821 NQAPUXVLVBZPGY-XMHGGMMESA-N 403.821 4.904 0 40 HJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 20765627 ZCYKWTPHQZXUEV-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB CCOC(=O)c1ccc(-c2ccc(CNn3c(-c4ccccc4)n[nH]c3=S)o2)cc1 22111301 PXQOHQFWRHFNBF-UHFFFAOYSA-N 420.494 4.788 0 40 HJAB CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC[C@H](C)C3)c2c1 23109686 DWGCWVXUXRHDEJ-KRWDZBQOSA-N 410.539 4.703 0 40 HJAB CC(C)(C)c1ccc(C2(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)CCCC2)cc1 24467383 ZACBWPGJHRQQQQ-UHFFFAOYSA-N 422.569 4.810 0 40 HJAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 26872503 LJMPOBNTMKJVCX-HNNXBMFYSA-N 408.473 4.588 0 40 HJAB COc1ccc(-c2nsc(NC(=O)Cc3cccc4ccccc34)n2)cc1OC 27794698 YSWAKPOCVUUDRW-UHFFFAOYSA-N 405.479 4.557 0 40 HJAB Cc1nn(CCCNC(=O)Nc2cccc(Cl)c2Cl)c(C)c1Br 27928122 DEYSTUVPIOOFAY-UHFFFAOYSA-N 420.138 4.781 0 40 HJAB O=C(Nc1ccc(Cl)cc1F)c1ccc(Cn2cc(Br)cn2)cc1 27969886 SRFJSFDXYGMPBQ-UHFFFAOYSA-N 408.658 4.739 0 40 HJAB Cc1nn(Cc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)c(C)c1Br 27970081 WTMBYGCTDXRYRJ-UHFFFAOYSA-N 420.257 4.841 0 40 HJAB C[C@@H]1Sc2ccc(C(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)cc2NC1=O 29848600 QCKYHHUAPHTDJB-HRAATJIYSA-N 414.530 4.907 0 40 HJAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@@H]1CC(=O)N(Cc1ccccc1)C1CC1 31070255 MKZMVYWVXMXLFO-GOSISDBHSA-N 420.456 4.700 0 40 HJAB CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2ccc(C(F)(F)F)cn2)s1 31743348 HFFIUCZLPRJWAH-UHFFFAOYSA-N 416.490 4.799 0 40 HJAB Cc1cccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1C 32788065 ZKDWTXNPFAJHPS-CPNJWEJPSA-N 404.470 4.748 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OC 33574226 SKYQQFQATRCHQR-WQRHYEAKSA-N 403.887 4.984 0 40 HJAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1C 33666115 KQQQBQCZSFVPAP-UHFFFAOYSA-N 418.522 4.587 0 40 HJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccccc1OC(F)(F)F)CC(O)=N2 36357825 MDGMGXUGRAIPFC-NSHDSACASA-N 423.782 4.646 0 40 HJAB COc1ccc([C@H](NC(=O)CSc2ccc(Br)cc2)C2CC2)cc1 40017430 KUUKCEZVCWMUFS-LJQANCHMSA-N 406.345 4.817 0 40 HJAB Cc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)c(C)c1 40134471 DJRBVYZBMOTEAN-UHFFFAOYSA-N 402.420 4.701 0 40 HJAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@@H]2C(=O)Nc1cccc(SC)c1 49549252 KUCPNXWCQSBDNW-GOSISDBHSA-N 422.510 4.590 0 40 HJAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1nnc(Cc2ccccc2)s1 49549691 NVNBGANSQVOXMV-UHFFFAOYSA-N 409.540 4.581 0 40 HJAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1cccc(Br)c1 57333549 FZYROOQLVMTUBB-UHFFFAOYSA-N 408.255 4.582 0 40 HJAB Cc1ccc(Oc2ccccc2NC(=O)COC(=O)c2ccc3nccnc3c2)cc1 71878500 VUGSPZARABUIED-UHFFFAOYSA-N 413.433 4.526 0 40 HJAB O=C(Nc1ccc2nc(-c3cccs3)[nH]c2c1)c1cccc(N2CCOC2=O)c1 72059342 FMUAPQOUJSYNFC-UHFFFAOYSA-N 404.451 4.500 0 40 HJAB CCCCC1CCC(c2cc(NC(=O)CCc3nc(-c4ccncc4)no3)[nH]n2)CC1 72311477 YNCCZUBCTLJBER-UHFFFAOYSA-N 422.533 4.890 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72358207 LGQUDOIHBMAVTO-HSZRJFAPSA-N 408.448 4.693 0 40 HJAB 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GJKIIIYSAANHPY-UHFFFAOYSA-N 420.465 4.697 0 40 HJAB CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NC4CCCCCC4)ccn3n2)cc1 67260953 YVONUVYADFYJKC-UHFFFAOYSA-N 420.557 4.516 0 40 HJAB COc1ccc(CCC(=O)N2CCC(c3cncc(-c4ccccc4C)n3)CC2)cc1 72359557 CLESRIBCOYXSQQ-UHFFFAOYSA-N 415.537 4.799 0 40 HJAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(COCc2ccc(F)cc2)CC1 77191528 UBLREILFIZWUKY-UHFFFAOYSA-N 411.395 4.793 0 40 HJAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 96590594 JKVOBPWDYGOYMM-SNVBAGLBSA-N 413.688 4.647 0 40 HJAB O=C(Nc1c(NC2CCCC2)c2ccccc2oc1=O)c1ccc(Br)o1 101094819 KTSCEVBEBCVEDZ-UHFFFAOYSA-N 417.259 4.755 0 40 HJAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1[C@H]2[C@H]2O[C@H]1c1ccccc12 104282769 QYDMDDZUYMHXQJ-CWVOTGJPSA-N 408.108 4.706 0 40 HJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)c4c(C)nn(C(C)=O)c4C[C@H]32)C1 105363832 LFSRWPRCKLPVBQ-RMQJBDDHSA-N 410.558 4.760 0 40 HJAB biogenic CC(C)(Oc1ccc(Br)cc1)C(=O)n1cc(C(=O)O)c2ccccc21 216933993 NBBHNEILUVDNCL-UHFFFAOYSA-N 402.244 4.600 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccccn1)c1ccccc1 223410593 CGBRYUVHAHDTAP-QHCPKHFHSA-N 421.928 4.531 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccccc1 223563859 VNCBEUVPWOMCNN-QFIPXVFZSA-N 412.599 4.893 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 223685417 WWTGLTYXOSTJJL-DEOSSOPVSA-N 408.586 4.960 0 40 HJAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccccc1OC 224248703 ZPGTYWFDFYFMOA-MRXNPFEDSA-N 409.457 4.913 0 40 HJAB Fc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCC1 225022692 AKHQRQQBYFPYTK-YADHBBJMSA-N 406.530 4.927 0 40 HJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)s1 225033910 OLRZUWIOKAEKNO-NHCUHLMSSA-N 408.596 4.926 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 225223951 NDXRGLXCLYJNKD-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB CCOc1ccc(-c2noc(CNC(=O)c3cc(C(C)C)c(OC)cc3C)n2)cc1 225670475 LWURBLBOSAYXCE-UHFFFAOYSA-N 409.486 4.506 0 40 HJAB NC(=O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 226341513 XADPYHMRIONBIK-DAFODLJHSA-N 419.077 4.973 0 40 HJAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1 248203433 XUXWOQFLZLKUOM-IPYPFGDCSA-N 408.468 4.755 0 40 HJAB O=C(NC[C@H]1CC[C@H]([C@@H](NC(=O)C2CCC2)c2nccs2)CC1)C1CCCCC1 257269853 MRQZVDWKFJWJPT-MBOZVWFJSA-N 417.619 4.603 0 40 HJAB CN(C)c1cc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)ncn1 1128534052 DBJRQUWRDMNHJI-UHFFFAOYSA-N 403.873 4.664 0 40 HJAB CCOc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 2179493 DOOXGHAIPYXGKY-UHFFFAOYSA-N 420.383 4.604 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1F 2357668 OEOHRXZGGNJMSP-UHFFFAOYSA-N 404.898 4.797 0 40 HJAB Cc1cc(C)c2c(N)c(C(=O)Nc3nn(Cc4ccccc4)cc3Cl)sc2n1 2794443 QKACBQJFUUPKNM-UHFFFAOYSA-N 411.918 4.646 0 40 HJAB CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=O)CN1CCC(C)CC1 3267100 KAXHQECRZWYFJB-UHFFFAOYSA-N 406.573 4.632 0 40 HJAB O=c1c2ccccc2n2c(SCc3ccc(Cl)cc3)nnc2n1-c1ccccc1 3291876 ABQBGFGOMCQHNV-UHFFFAOYSA-N 418.909 4.979 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)c1oc2ccccc2c1NC(=O)C1CCCCC1 4354031 AHJIZZZRHWVNOT-UHFFFAOYSA-N 406.438 4.933 0 40 HJAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1Cl)OCCO3 4849586 NIFVGMOZGPLKMO-UHFFFAOYSA-N 414.914 4.953 0 40 HJAB O=C(/C=C/c1ccccc1)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1 4855876 SYZVKDDYQUVWQL-XNTDXEJSSA-N 401.485 4.804 0 40 HJAB Cc1cccc(N2CCN(c3ncnc4c(-c5ccc(F)cc5)nsc34)CC2)c1C 4857965 LDNZSTBVTWYXEG-UHFFFAOYSA-N 419.529 4.836 0 40 HJAB CC(=O)CC/C(C)=N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 5494494 JVBSVDRCKOIMDR-GGJALUFUSA-N 413.949 4.919 0 40 HJAB CC(C)Cc1ccc([C@H](C)NC(=O)CSc2nncn2-c2ccccc2F)cc1 6129499 HWWVEIIZVCAUPZ-INIZCTEOSA-N 412.534 4.574 0 40 HJAB COc1cc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc(OC)c1 6850121 GCFQPCVKJJFXRR-UHFFFAOYSA-N 410.857 4.862 0 40 HJAB Cc1cc(-n2c(C)cc([C@H]3Nc4ccccc4C(=O)N3Cc3ccco3)c2C)no1 7113034 IDBVWGDIGSIBEC-QFIPXVFZSA-N 402.454 4.750 0 40 HJAB C[C@H](c1ccccc1)n1c(SCC(=O)c2ccc(O)cc2)nc2ccccc2c1=O 7628550 UIUDCILVKAADGW-MRXNPFEDSA-N 416.502 4.686 0 40 HJAB CCc1ccc(Cl)c(CC)c1NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 7801630 DIQPSBIHDZYZCO-UHFFFAOYSA-N 422.978 4.748 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 7886355 DCSTUBAYPLYMTE-JOCHJYFZSA-N 406.917 4.931 0 40 HJAB O=C(Cc1csc(SCc2ccc(Br)cc2)n1)NC1CCCC1 8854530 UJHFRULIJLITFX-UHFFFAOYSA-N 411.390 4.799 0 40 HJAB O=C1CS[C@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N1c1ccccc1 8856978 BWMSCDACPNHXBQ-HSZRJFAPSA-N 420.921 4.820 0 40 HJAB CC(C)(C)NC(=O)NC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 9099321 ZLYGQEIEEJJKDN-UHFFFAOYSA-N 420.585 4.583 0 40 HJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1cncs1 9154910 SKCAGVZGCZTAQH-UHFFFAOYSA-N 408.914 4.921 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2C)c1 9305622 WREQTKFXCYIEDG-UHFFFAOYSA-N 421.551 4.645 0 40 HJAB COc1ccc(Cc2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)o2)cc1 9328110 JKMXVFIARPCYLX-UHFFFAOYSA-N 414.874 4.665 0 40 HJAB C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc(C(C)(C)C)cc1 10276710 IHTYKKRMUXFVLY-AWEZNQCLSA-N 410.377 4.927 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@H](C)c3ccccc3)ccc2C)cc1 10314768 VUTNIKPMOSBXBZ-GOSISDBHSA-N 408.523 4.595 0 40 HJAB COc1cccc2cc(C(=O)Nc3nnc(-c4ccc(Br)s4)o3)oc12 11695486 NQUQKGRYWWZWLC-UHFFFAOYSA-N 420.244 4.568 0 40 HJAB CCOc1ccc(C(=O)CSc2nnc3cc(C)c4cccc(OC)c4n23)cc1 11903245 ZVPOPTYILGURFG-UHFFFAOYSA-N 407.495 4.573 0 40 HJAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 12293640 NPNNXCGYPNRXQH-VQTJNVASSA-N 422.352 4.686 0 40 HJAB O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc(-c2ccccc2)cc1 12329395 XSZJQOXYYOOJBR-RPBOFIJWSA-N 415.533 4.738 0 40 HJAB Cc1c(S(=O)(=O)c2ccccc2)c(N)n(Cc2cccc(C(F)(F)F)c2)c1C 12372618 RTNRRRUZTIMLCF-UHFFFAOYSA-N 408.445 4.587 0 40 HJAB C[C@H]1C[C@H](C)CN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)C1 12419525 UPHJAAOGDLQXPI-KBPBESRZSA-N 420.918 4.903 0 40 HJAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 12753300 FLJRWEDHEURDOR-INIZCTEOSA-N 416.326 4.536 0 40 HJAB O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1cccc(-c2nc3ccccc3s2)c1 12905040 MFXXMEJYKFLILG-IBGZPJMESA-N 415.474 4.692 0 40 HJAB COc1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1OC(F)F 12925232 NLIQXKZGIGYFSY-UHFFFAOYSA-N 418.421 4.863 0 40 HJAB O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C1C[C@@H]2CCC[C@H](C1)C2=O 14242234 VRCKUXYPRNYYRF-NNQSOWQGSA-N 406.313 4.572 0 40 HJAB COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)c1 14609436 NPFYBSAGJCPFLD-UHFFFAOYSA-N 404.857 4.849 0 40 HJAB Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 15881842 CSNQYODESRMOBX-UHFFFAOYSA-N 422.531 4.684 0 40 HJAB COc1ccc([C@H]2C[C@@]3(CC(C)(C)N=C(SC)N3)Oc3cc(O)cc(C)c32)cc1 15974241 AUXILRFLUXGQNZ-JPYJTQIMSA-N 412.555 4.811 0 40 HJAB COC(=O)NC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc(C)c1C 16689834 BMJQLFIKAMZEEZ-UHFFFAOYSA-N 422.915 4.982 0 40 HJAB Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Cl)c2)nc1 16741301 OJVWKFHMCAAYBJ-FQEVSTJZSA-N 402.837 4.900 0 40 HJAB CCCCn1c(SCc2nc(-c3ccc(F)cc3)no2)nc2ccsc2c1=O 16843282 KNYMCYCWWKCKMP-UHFFFAOYSA-N 416.503 4.740 0 40 HJAB CC(C)Oc1ccc(-c2csc(NC(=O)c3ccc(Cn4ccnc4)o3)n2)cc1 19450740 DSOXXHYTOZMRIF-UHFFFAOYSA-N 408.483 4.687 0 40 HJAB Cc1noc2nc(C3CCN(Cc4c[nH]nc4C(C)(C)C)CC3)cc(C(F)F)c12 19564995 RXOPKLATLQBTRW-UHFFFAOYSA-N 403.477 4.869 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 20151612 ZZVDQAHUWDXBQO-UHFFFAOYSA-N 414.914 4.782 0 40 HJAB Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1C 20417912 DSTMJJLMPKBYRF-UHFFFAOYSA-N 411.552 4.913 0 40 HJAB O=C(Nc1ccc(-c2nccs2)cc1)c1occc1CS(=O)(=O)c1ccccc1 22020436 BYBNNXBGVNFCDB-UHFFFAOYSA-N 424.503 4.629 0 40 HJAB Cc1ccc2c(c1)CCCN2C(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 26934125 SOKPWEPLXSAEEK-UHFFFAOYSA-N 412.946 4.609 0 40 HJAB COc1ccc(CNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)cc1OC 27938153 OPEFBJXTCHCGCH-UHFFFAOYSA-N 415.873 4.768 0 40 HJAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)Cn1c(C(F)(F)F)nc2ccccc21 28297126 WELWGTPZBZWURM-MRXNPFEDSA-N 401.432 4.996 0 40 HJAB COCc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 29143809 JRKNISNARJQKNJ-UHFFFAOYSA-N 424.522 4.503 0 40 HJAB CC1=C[C@@H](CNCCN(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1 30883086 QNBPFBGPBLHOBB-VABKMULXSA-N 410.606 4.593 0 40 HJAB biogenic,in-vitro CC(C)c1c(C(=O)Nc2cccc(C(=O)N(C)C)c2)cnn1-c1cccc(Cl)c1 32616589 VFPRMMQPIUFWTI-UHFFFAOYSA-N 410.905 4.603 0 40 HJAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N2CCCC2)cc1 32623512 BGRSMQJUCMFLBE-HSZRJFAPSA-N 403.526 4.834 0 40 HJAB COc1ccccc1OCC(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 32623622 OUXKESUPKMRDTH-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB CCCCC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)c1 39763241 PUAPIQYJAGKSGT-UHFFFAOYSA-N 410.499 4.595 0 40 HJAB CSc1nc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)c2ccccn12 48366850 OIXDMVBSCOZNIG-NRFANRHFSA-N 402.475 4.837 0 40 HJAB CCc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(C)cc4)o3)n2)cc1 49001748 FGNKBFAWDTZZIE-UHFFFAOYSA-N 408.479 4.841 0 40 HJAB Cc1noc(Cl)c1CCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 58011282 CUZLRAUCQRHJPL-UHFFFAOYSA-N 420.900 4.738 0 40 HJAB O=C(Cn1c(S)nnc1-c1cccs1)NC1(c2ccc(Cl)cc2)CCCC1 58244868 LHFQEIPBKXKJLY-UHFFFAOYSA-N 418.975 4.534 0 40 HJAB Cc1cccc(-n2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)c3ccccc3c2=O)c1 67245230 KCIRMKGLWUFVQI-UHFFFAOYSA-N 423.428 4.745 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)cc1Cl 71327851 TVSZCUDQXRLENF-UHFFFAOYSA-N 423.944 4.825 0 40 HJAB COc1cccc(OCCc2cc([C@@H]3CCN(C/C(C)=C/c4ccccc4)C3)n[nH]2)c1 72371560 BHNMVWAVTHFTAL-GFCAVMEOSA-N 417.553 4.933 0 40 HJAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C)cc2C)C12CCCCC2 72401144 ZCMLLAFESKXSDN-HSZRJFAPSA-N 420.553 4.831 0 40 HJAB O=C(CSC1CCCC1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77197891 FSWIQUGAXQEQIQ-AWEZNQCLSA-N 405.564 4.726 0 40 HJAB O=C(NCc1cccnc1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 95477463 GHYVNPORFWGDOO-QHCPKHFHSA-N 417.553 4.583 0 40 HJAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3ON2c2ccccc2)cc1 102717107 QBVBZOBHRWSSFE-WXFUMESZSA-N 412.489 4.663 0 40 HJAB CCOc1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 218884486 GIRAJOKDRPFFPL-UHFFFAOYSA-N 420.347 4.841 0 40 HJAB CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220716099 VPOQHCVDZOYCMD-GOSISDBHSA-N 422.978 4.757 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1 222536600 ZULQYRAGGAPUGR-YKSBVNFPSA-N 424.585 4.577 0 40 HJAB Cc1ccccc1N(CCCC(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O 222556170 ZECMQXYAXBWMSI-UHFFFAOYSA-N 402.560 4.612 0 40 HJAB COc1ccc(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)s2)cc1 222921108 FABHLHOVACMBPX-UHFFFAOYSA-N 405.932 4.988 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 223351513 CQNXXTWPVOHETB-OAQYLSRUSA-N 414.977 4.913 0 40 HJAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)cc1 224389678 NYEOLIUQUUXZMT-FGZHOGPDSA-N 415.497 4.584 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 224429761 AYFFDNRDQLNYSL-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB CCCC[C@@H](CC)CNC(=O)CCCN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 224777392 JNLKAIYNLPMSMI-QGZVFWFLSA-N 417.015 4.527 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 225014206 YWMTWNJZNYFSPX-VQTJNVASSA-N 412.599 4.560 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225467537 AHMQNZFYKMHEED-HXUWFJFHSA-N 408.586 4.859 0 40 HJAB Cc1cccc(CN(C(=O)COc2ccccc2C(C)(C)C)[C@H](C)C(=O)NC(C)C)c1 225514532 PXXOHKBNZUKFIK-HXUWFJFHSA-N 424.585 4.613 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)Nc3cccc(C)c3C)cc2)cc1 225983756 GUQMTCAGHIRKIV-UHFFFAOYSA-N 422.550 4.618 0 40 HJAB CCC(CC)C(=O)N1CCC(Cc2cccc(-c3cccs3)c2)(C(=O)NC)CC1 257207144 BGNHPPGRTSVDNP-UHFFFAOYSA-N 412.599 4.749 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(OC(C)C)c3)cc2)cc1 408619481 MRLIBNLPRMJVPY-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)Nc4cc(Cl)ccc4C)cc3)C(=O)[C@@H]21 408674193 XXTXWODEIYNUCR-DZLUEKEQSA-N 420.896 4.602 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)NCCC(c3ccccc3)c3ccccc3)CC2=O)cc1 408708585 QUNCKQQGQIHMLP-HSZRJFAPSA-N 412.533 4.686 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)cc1O 409206755 XFGAJOKASYCCFG-UHFFFAOYSA-N 415.829 4.647 0 40 HJAB Cc1ccc(Sc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)cc1 409227608 QSCFAMYMZFJENH-STZFKDTASA-N 400.528 4.917 0 40 HJAB C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCC[C@H](c2ccnc(N)n2)C1 584279661 YTPZIECAPIHXPB-OLZOCXBDSA-N 418.328 4.961 0 40 HJAB Cc1ccc2c(C)c(C(=O)N(C)[C@@H]3CCCC[C@@H](Oc4ccccc4)[C@@H]3O)oc2c1 585272824 MYTCQYMXEPGKAH-MQSCRBSSSA-N 407.510 4.873 0 40 HJAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc4c(c3)COC(=O)N4)c12 1539202473 RYGBPCKQHBTGCV-UHFFFAOYSA-N 421.501 4.933 0 40 HJAB COc1cc(S(=O)(=O)Oc2cc(Cl)ccc2Cl)ccc1Br 1775976641 COMLBMCQLPAERY-UHFFFAOYSA-N 412.088 4.532 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CCCC2 723726 DGFDIUCJYADZGZ-UHFFFAOYSA-N 409.507 4.974 0 40 HJAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)C2CCCC2)s1 1366013 SXJMYWUDWUURQV-KRWDZBQOSA-N 416.509 4.880 0 40 HJAB O=C1[C@@H]2CSCN2c2ccc(C(F)(F)F)cc2N1Cc1c(F)cccc1Cl 1384523 KSYBTGKPDLNXBR-INIZCTEOSA-N 416.827 4.924 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 2221167 SVSYCGBWFYVVGK-FPYGCLRLSA-N 410.823 4.847 0 40 HJAB CSCC[C@H](NC(=O)c1c(-c2ccccc2)noc1C)c1nc2ccccc2[nH]1 2651952 NEZOCQQAKXIRSG-SFHVURJKSA-N 406.511 4.751 0 40 HJAB COc1ccc2nc(N(Cc3cccnc3)C(=O)/C=C/c3ccccc3)sc2c1 4273167 GNHKSQSZKWYQAV-FMIVXFBMSA-N 401.491 4.947 0 40 HJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)c2ccccc2)cc1 4593078 XKSAZNFJSTWPJQ-UHFFFAOYSA-N 412.445 4.588 0 40 HJAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(O)cc2)n2c(nc3ccccc32)N1 4735676 TZIJLPMXDALJIU-HSZRJFAPSA-N 410.477 4.978 0 40 HJAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(Cl)c(OC(C)C)c(OC)c1 5489127 UFXPAPAYHHKVAF-UHFFFAOYSA-N 406.862 4.704 0 40 HJAB COc1ccc(C(=O)[C@H](C)Sc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)cc1 6374642 DMMCGGNRJWMLFH-OLZOCXBDSA-N 402.447 4.721 0 40 HJAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2sccc2C)C(=O)O)o1 7342175 VZKBFPAWCVEZTQ-ZSOIEALJSA-N 408.888 4.986 0 40 HJAB CSc1ccccc1C(=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 7943200 LTKPNPZLWUVVID-UHFFFAOYSA-N 408.504 4.731 0 40 HJAB CC(C)[C@H](NC(=O)/C=C/c1ccc(Br)o1)c1ccc2c(c1)OCCCO2 7981205 CWUKQLVUAQDLSL-ZGBFETHSSA-N 420.303 4.730 0 40 HJAB Cc1nc2cc(C(=O)Nc3cccc(N4CCCC4=O)c3)ccc2n1-c1ccccc1 8134897 GBOQVMSBYTVSSG-UHFFFAOYSA-N 410.477 4.713 0 40 HJAB COc1ccc(NC(=O)c2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)cc1 8291220 BMXMILLWUTWACV-UHFFFAOYSA-N 402.450 4.549 0 40 HJAB COc1ccccc1O[C@@H](C)C(=O)NCCSCc1c(Cl)cccc1Cl 8499251 QNRLBADTMFYSKC-ZDUSSCGKSA-N 414.354 4.819 0 40 HJAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(F)c(F)c3)cc21 8959799 STDWHQJJXAMVID-UHFFFAOYSA-N 402.441 4.625 0 40 HJAB O=C(NCCCn1ccc2ccccc21)c1cn(-c2ccccc2)nc1-c1cccnc1 9379439 SUMOUMFGCQVXBE-UHFFFAOYSA-N 421.504 4.709 0 40 HJAB C[C@@H](C(=O)NCc1ccccc1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 9579059 JFYXSCUQKJUEDD-HNNXBMFYSA-N 413.974 4.834 0 40 HJAB COc1ccc(C(=O)c2cn(Cc3ccc(C)cc3)c3c(F)cc(F)cc3c2=O)cc1 9610750 LYJFNLXFTDKTBL-UHFFFAOYSA-N 419.427 4.876 0 40 HJAB Cc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)n2)c(C)c1 10253373 QEGNCGBEFSERKG-UHFFFAOYSA-N 414.552 4.861 0 40 HJAB COc1ccc2cc(CNC(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)ccc2c1 10494776 IGRBCIRGHXYIDN-UHFFFAOYSA-N 419.525 4.554 0 40 HJAB COc1cccc(OCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667415 ODTOJYNQUAFEDW-KRWDZBQOSA-N 419.481 4.598 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCCC[C@@H]1c1ccn(C)n1 12133739 SWMDRUYACIRQAA-QGZVFWFLSA-N 416.884 4.934 0 40 HJAB CC(C)c1cc(C(F)(F)F)n2nc(C3CCN(C(=O)C4CCCC4)CC3)cc2n1 12220445 XKBOCKPGVUDPTR-UHFFFAOYSA-N 408.468 4.768 0 40 HJAB CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCCCCC3)c2c1 12437795 VCWZSGCQPHEUHI-UHFFFAOYSA-N 410.539 4.847 0 40 HJAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(-n4cccn4)nc3)cccc2c1=O 12523551 LGARXBZFCPARQF-UHFFFAOYSA-N 422.444 4.601 0 40 HJAB Cc1nc(COc2ccccc2C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)no1 12581715 KOLRQFUWMAGMQP-LLVKDONJSA-N 406.269 4.755 0 40 HJAB CN(CC(=O)Nc1ccccc1Br)Cc1ccccc1N1CCCCC1 12609966 UEZAMLGLRRWJKI-UHFFFAOYSA-N 416.363 4.510 0 40 HJAB CCOc1ccccc1-c1nc(CC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cs1 12823936 ZSXONTGOHJXUAI-ZDUSSCGKSA-N 402.466 4.907 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1cccc(Cl)c1Cl 12921575 KREKJZYLMNWBEK-UHFFFAOYSA-N 424.353 4.617 0 40 HJAB O=C(Nc1ccccc1OCC(F)(F)F)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 12934357 VTWAXSBTLFCPJH-HNNXBMFYSA-N 421.419 4.510 0 40 HJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 14022757 BTURTRJABKFZHY-XMMPIXPASA-N 416.521 4.764 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 16035667 QGNZJLRHTCKAPD-XYPHTWIQSA-N 402.409 4.746 0 40 HJAB COc1c(C)cccc1C(=O)Nc1ccc2nn(-c3ccc(C)c(Cl)c3)nc2c1 17087542 LGUVOXKYDXASSK-UHFFFAOYSA-N 406.873 4.952 0 40 HJAB CCCC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3nc(C(C)(C)C)cc3N2)C1 19501263 AVFSHQIBUFUSPQ-OFQRWUPVSA-N 400.489 4.507 0 40 HJAB COc1ccc(OC)c(CC(=O)N2CCC[C@H]2c2cc(-c3ccccc3)cc(C)n2)c1 19690608 ZIAAKBYUXLPHBB-DEOSSOPVSA-N 416.521 4.980 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)c1 21580350 VKQMMQZGFKHZQO-UHFFFAOYSA-N 403.438 4.508 0 40 HJAB CCn1cc(C(=O)Nc2ccc(Br)cc2F)c(=O)c2cc(Cl)ccc21 22234886 RTMRQBDRNUUQAR-UHFFFAOYSA-N 423.669 4.829 0 40 HJAB Cc1cc(=O)c(C(=O)N(Cc2ccco2)c2ccccc2)nn1-c1ccc(Cl)cc1 24754869 DIHLMXIUQNGPJR-UHFFFAOYSA-N 419.868 4.634 0 40 HJAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1COc1ccccc1 24986513 OACRDUSQQFUYSI-UHFFFAOYSA-N 400.522 4.660 0 40 HJAB COc1ccc(-c2csc(CCNC(=O)c3ccc(Br)cc3)n2)cc1 31848792 VVPZZSIWEFKFMH-UHFFFAOYSA-N 417.328 4.554 0 40 HJAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1cccc(Br)c1 32609675 HQWIGAYYNRTCBI-UHFFFAOYSA-N 408.658 4.739 0 40 HJAB O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1N1CCCC1 32678841 MDCMAIJZKUHGIS-UHFFFAOYSA-N 409.711 4.720 0 40 HJAB O=C(Nc1cccc(Cl)c1)c1ccccc1SCc1nnnn1-c1ccccc1 32747456 HWYLVGBPPDXHFH-UHFFFAOYSA-N 421.913 4.860 0 40 HJAB CC[C@H](C)Nc1nnc(S[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)s1 32777511 CQEPZPFCKZIYIR-GJZGRUSLSA-N 419.620 4.858 0 40 HJAB COc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4cccc(C)c4)c3)no2)cc1 33327397 TURFYAJMUPSTKJ-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2occc2n1Cc1ccccc1F 36365903 LOXHEGRJBRSJKE-UHFFFAOYSA-N 419.456 4.511 0 40 HJAB O=C(c1ccc2ncsc2c1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 38518857 HJJBZFGQUIFMRY-UHFFFAOYSA-N 408.458 4.505 0 40 HJAB CC[C@@H](C)N(Cc1ccccc1)C(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 40130764 MZCWVCUJZMVYFT-MRXNPFEDSA-N 412.530 4.852 0 40 HJAB Cc1cc2nc(CSc3ccccc3NC(=O)Nc3ccccc3C)cc(=O)n2o1 41089684 PFMWDLRVTZBHOL-UHFFFAOYSA-N 420.494 4.841 0 40 HJAB Cc1csc(CCN(CCc2ncc(C)s2)C(=O)c2c(F)cccc2Cl)n1 41104788 KLKGFXWVOUQCTE-UHFFFAOYSA-N 423.966 4.937 0 40 HJAB O=C(CCOc1cccc(Cl)c1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 48362274 BPCAXNWEJAGHLZ-NRFANRHFSA-N 409.917 4.548 0 40 HJAB O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1Cc1ccccn1 67259371 HPKAOBZKZHUCAJ-UHFFFAOYSA-N 411.889 4.925 0 40 HJAB Cn1cc(CN2CCC[C@H](c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)C2)cn1 72349992 RXFSJXRKCKEWKL-IBGZPJMESA-N 414.475 4.804 0 40 HJAB O=C(Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)c1ncncc1Cl 95447569 SBZOSULTUGZVEF-UHFFFAOYSA-N 400.571 4.630 0 40 HJAB O=C(NC1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1)c1ccc2cc[nH]c2c1 98212660 KTXLCPAEEZMWNJ-UHFFFAOYSA-N 419.916 4.610 0 40 HJAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)Nc1ccc2c(c1)CCC2 101354153 GTKCCQJJOIITAF-UHFFFAOYSA-N 409.489 4.672 0 40 HJAB CCc1ccccc1N/C=C1/C(=O)N(Cc2ccc(OC)cc2)C(=O)c2ccccc21 103003966 KPYUCFKBKYOTCL-XQNSMLJCSA-N 412.489 4.893 0 40 HJAB COc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2Br)C1=O 106731302 FUXPGWSEKNBFNI-YBEGLDIGSA-N 404.285 4.694 0 40 HJAB CC[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 219131550 RUOMAQDGYPTOSC-DEOSSOPVSA-N 421.562 4.880 0 40 HJAB C[C@H](C(=O)NCc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 222838397 BPBRGRWZFCUKPK-LJQANCHMSA-N 420.940 4.616 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(CC)cc1 223275959 LUVUJLSGLMZGAK-LJQANCHMSA-N 412.549 4.654 0 40 HJAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224105802 ISJPCUXMGWHWII-NRFANRHFSA-N 420.597 4.700 0 40 HJAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)c(C)c1 224337468 HTRXCXNFEAWURB-UHFFFAOYSA-N 400.522 4.675 0 40 HJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccc(OC)cc1 225078704 CHTFLOHQCXHCHQ-NRPPHEFGSA-N 418.493 4.635 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 225543860 DBKKRGGZXFCWSW-QPPBQGQZSA-N 424.585 4.876 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225719255 OEHKQQVVBRIZBR-HXUWFJFHSA-N 421.368 4.868 0 40 HJAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 225749205 IKNGOGGGCULCFU-XMMPIXPASA-N 418.578 4.782 0 40 HJAB Cc1c(Br)ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1C 248104473 QFCWVRAAUSWKHF-QVWMHLQHSA-N 424.338 4.995 0 40 HJAB O=C(Cc1ccc(O)cc1)N1CC[C@@H](Nc2ccccc2)[C@@H](Cc2ccccc2)C1 257207593 BIKUIGOQTVCPSZ-WIOPSUGQSA-N 400.522 4.507 0 40 HJAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc(C(C)C)no3)o2)c1 257316700 VGPUSMWWMRNKAP-HXUWFJFHSA-N 409.486 4.753 0 40 HJAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]21)c1ccccc1 409369839 ZTBFHHZKEXZHAD-NBJYBMASSA-N 420.306 4.844 0 40 HJAB O=C(NCCc1nc2ccccc2[nH]1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 504058581 QBNYJEDZACSFAY-TWLNZGNHSA-N 422.532 4.702 0 40 HJAB CCc1cnc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)c(C)c2)o1 525186891 MPNJKAAAZFFMCH-UHFFFAOYSA-N 418.946 4.898 0 40 HJAB Cc1cc(OC[C@]2(O)CCCN(C(=O)CCc3ccccc3)CC2)cc(C)c1Cl 2037912381 KUIBTYVZLLRRCG-DEOSSOPVSA-N 415.961 4.712 0 40 HJAB CCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 682809 SUBUGASKTFOYNN-UHFFFAOYSA-N 404.495 4.737 0 40 HJAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C 880238 UUZBJWUXZGTNHY-UHFFFAOYSA-N 401.466 4.972 0 40 HJAB Cn1c(COc2cccc3ccccc23)nnc1SCC(=O)OC1CCCCC1 894716 DOVVWXBRLZMPIK-UHFFFAOYSA-N 411.527 4.515 0 40 HJAB COc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 1380073 CLSWJTXMMBMLOV-NRFANRHFSA-N 424.522 4.797 0 40 HJAB CCc1ccc(-n2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)cc1 2352464 UMXBJFDFUYJOEF-UHFFFAOYSA-N 413.525 4.781 0 40 HJAB Cc1ccc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1Cl 2403539 NRVGGXSZTWHWFW-UHFFFAOYSA-N 421.932 4.894 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)c1 2792203 WVOWTZBPAOKWRE-UHFFFAOYSA-N 410.326 4.656 0 40 HJAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(C)CC(=O)Nc1ccc(Cl)cc1 3395897 CCYZETWVINEOAS-LLVKDONJSA-N 414.720 4.544 0 40 HJAB Cc1ccc(-n2c(SCC(=O)N3CCCCCC3)nnc2-c2ccccc2)cc1 5735705 LBGCUTSWVVHJFD-UHFFFAOYSA-N 406.555 4.737 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(Br)cc1 6494984 SJTHVFMGWIPEDT-UHFFFAOYSA-N 403.257 4.554 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccc4ccccc4c3)n2)cc1 6507784 UHDDELKZIHPEIS-UHFFFAOYSA-N 417.490 4.939 0 40 HJAB CCOc1c(Cl)cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1Cl 6958020 RPAXSORDYZMCRB-LICLKQGHSA-N 405.281 4.793 0 40 HJAB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(CC(=O)c2ccccc2)C1=O 6963792 SUQNVWPCTJMQLP-WOJGMQOQSA-N 401.871 4.658 0 40 HJAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 7718946 PDSBTNLSOIXPNS-DEOSSOPVSA-N 410.473 4.595 0 40 HJAB CCn1c(CSc2nccc(C)n2)nc2cc(NC(=O)c3cccs3)ccc21 8990789 OWPYGMKDQFEIGV-UHFFFAOYSA-N 409.540 4.761 0 40 HJAB Cc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3cccs3)CC4=O)nc(C)c2c1 10157480 IOTCLLRYSJVGJT-CQSZACIVSA-N 401.495 4.754 0 40 HJAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 10444187 ZGMOQHOMZUICCT-UHFFFAOYSA-N 413.453 4.975 0 40 HJAB Cc1nc(NC(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)sc1-c1nccn1C(F)F 12578273 DOMRHIQUYZYDOW-ONGXEEELSA-N 404.442 4.847 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](C)c1cccc(Br)c1 12983492 RUKHNPKWBOUXDC-XOBRGWDASA-N 413.315 4.591 0 40 HJAB CC(C)Cc1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1COC(C)(C)C2 13206962 BNGARKVHVPOMOK-UHFFFAOYSA-N 417.513 4.828 0 40 HJAB Cc1ccccc1C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 14389805 UJZPULHBBHGQNW-UHFFFAOYSA-N 420.534 4.757 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccccc1OCc1ccccc1Cl 15978810 KGVKPCFQSOCSQR-CALCHBBNSA-N 415.917 4.865 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C)cc1C(C)(C)C 16780623 KKGLMSNQZDRWGU-UHFFFAOYSA-N 412.349 4.864 0 40 HJAB CC(C)(C)NC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)C2CC2)C1 19082872 JMNUOPFZTCCTDM-SANMLTNESA-N 422.544 4.579 0 40 HJAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H](Cc2nc3cc(Cl)ccc3[nH]2)C1 19717786 PMAYXVRQFRCSTK-OAHLLOKOSA-N 421.932 4.507 0 40 HJAB O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(Cc1cccnc1)CO3 20566218 FBUNBYTYQIMUKJ-UHFFFAOYSA-N 404.853 4.861 0 40 HJAB COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1cccnc1Cl 20611408 FRDVNZGNYKPNLS-UHFFFAOYSA-N 415.236 4.853 0 40 HJAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(Cc4cccc5ccccc45)CC3)c2c1 20727101 AJNXKNWASOHUHI-VWLOTQADSA-N 413.521 4.573 0 40 HJAB Cc1cc(C)c(NC(=O)CCCSCc2cc(=O)n3cc(C)ccc3n2)c(C)c1 23413738 XWWBAXPQQSKLJJ-UHFFFAOYSA-N 409.555 4.580 0 40 HJAB COc1ccc(CCN(C)C(=O)c2ccccc2OCc2ccc(F)cc2)cc1OC 30866404 HSOSAYNXVNLOJH-UHFFFAOYSA-N 423.484 4.737 0 40 HJAB CCCCOc1ccc(C2=N/C(=C\c3cccc(Br)c3)C(=O)O2)cc1 35105156 IOHCDYAIJUVPHS-AQTBWJFISA-N 400.272 4.973 0 40 HJAB O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1cncc(Br)c1 40110740 BGHUXDLGXAOGQI-UHFFFAOYSA-N 420.282 4.754 0 40 HJAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccc(-c3nccs3)cc2)C1 58441413 ONAKDXTVARBFRS-KRWDZBQOSA-N 406.511 4.693 0 40 HJAB CCOc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)Nc2ccccn2)cc1 67293482 ZOXLSHHJCJZMHT-LCUIJRPUSA-N 415.449 4.720 0 40 HJAB O=C(c1cccc(OCc2cccnc2)c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 71803484 UVOVARBBCHHULQ-HXUWFJFHSA-N 412.493 4.557 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H]2c2cccc(Cc3ccc(C)cc3)n2)cc1 72357966 VVUSRFPUUZTKCE-VWLOTQADSA-N 400.522 4.896 0 40 HJAB CCOc1cc(C)c(Br)cc1S(=O)(=O)Nc1cnc2ccccc2c1 72414288 KZINDDLBODIOQI-UHFFFAOYSA-N 421.316 4.505 0 40 HJAB Cc1nc(-c2ccccc2)sc1CNS(=O)(=O)c1cccc(C(F)(F)F)c1 90592608 GTUCXCGQOJNTIP-UHFFFAOYSA-N 412.458 4.616 0 40 HJAB CCc1ccc(NC(=O)[C@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)cc1 96037497 SXDIITBMJZMHGC-XMMPIXPASA-N 402.542 4.765 0 40 HJAB CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)c3occc3C)CC2)c2ccccc21 96242338 QDVQVTYZISTKON-IBGZPJMESA-N 408.542 4.508 0 40 HJAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2ccccc2)C[C@H](c2ccco2)C1 102315224 ZRUUHKDLWPMVIM-SJCJKPOMSA-N 400.360 4.955 0 40 HJAB CC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1 102531645 UZIIVAVUVWZCIQ-OYRHEFFESA-N 403.478 4.659 0 40 HJAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccc2c(c1)OCCCO2 104909999 ZEZAMPQSCWQUME-VKFLQFAXSA-N 420.347 4.910 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCN(c2cc(C3CC3)ncn2)C1 206655627 GDVAXTUWIJULTM-CYBMUJFWSA-N 424.854 4.881 0 40 HJAB Cc1ccc2c(c1)[C@H](NC(=O)COc1ccc(Br)c(C)c1)CC(C)(C)O2 218829066 JLFKHEJYBHQWDZ-GOSISDBHSA-N 418.331 4.863 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 222451568 WDSRHSLYVFSMSP-QFIPXVFZSA-N 414.977 4.913 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSc1ccccc1 223179924 FOWPFNQKRPFSMN-NRFANRHFSA-N 412.599 4.809 0 40 HJAB Cc1cc(O[C@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)cc(C)c1Cl 223585193 JWMZHTZWUKLWEH-GOSISDBHSA-N 401.934 4.589 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)c2)c1 223952383 FROVTSUWUYTSKO-IBGZPJMESA-N 422.550 4.904 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 224219083 KZFSHPJZQPJGTJ-NRFANRHFSA-N 400.950 4.525 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 224283986 HIXAQCXRWFDERD-JOCHJYFZSA-N 412.961 4.749 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225011746 DYDGIQPAKJTFHP-CVEARBPZSA-N 421.368 4.868 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 225080838 HBOUZLWHAVHVHF-LEWJYISDSA-N 424.585 4.829 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 225543834 DBKKRGGZXFCWSW-XUZZJYLKSA-N 424.585 4.876 0 40 HJAB CC(C)c1ccc(NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 225980635 ZROSUSFIXPROGM-UHFFFAOYSA-N 422.550 4.816 0 40 HJAB Cc1cc(-c2cnc(C3CCN(C(=O)[C@@H]4[C@H]5CCCC[C@H]54)CC3)nc2C(C)C)on1 253600346 NPVRJYFXDMUBDS-WGMWDUQUSA-N 408.546 4.706 0 40 HJAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4cccc(C(=O)O)c4)C[C@H]3C[C@H]21 257267932 MJMYRERQYSEBQY-LPOZWGFCSA-N 407.510 4.524 0 40 HJAB Cc1ccc(NC(=O)CN2CCC[C@@H]2Cc2c(C(=O)O)sc3ccccc23)cc1 257335263 YJJLWTLHOFGRNS-QGZVFWFLSA-N 408.523 4.554 0 40 HJAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccccc2)cc1 408695825 SVDUXXUZCWXIOI-UHFFFAOYSA-N 402.429 4.724 0 40 HJAB COc1cccc(/C=C2\SC(=N)NC2=O)c1OCc1ccc(Cl)c(Cl)c1 408891104 LNBBTGPPVAJKJI-NVNXTCNLSA-N 409.294 4.720 0 40 HJAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc1 409175953 FVVYSZGWDYOUKT-ZHZULCJRSA-N 424.522 4.713 0 40 HJAB Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cc2cc(Cl)ccc2o1 409329061 CGWBZSXTLDKCCQ-UHFFFAOYSA-N 416.865 4.752 0 40 HJAB COc1ccccc1CN1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 585290348 QMFQXSKBKDHHGD-HNNXBMFYSA-N 418.419 4.539 0 40 HJAB COc1ccc(NC(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1 585656261 DGNSZSUZNJBASM-UHFFFAOYSA-N 415.946 4.534 0 40 HJAB COc1ccc(C(=O)N2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1 670416570 STZWLAUPQSHWAI-OVCLIPMQSA-N 408.262 4.879 0 40 HJAB C[C@]1(c2ccccc2)CC[C@@H](N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)C1 1615055773 OQYOQTVVCCBVID-QTEQDKRBSA-N 416.487 4.906 0 40 HJAB CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccccc1C 786357 QMPOWDHWLVQMLT-UHFFFAOYSA-N 409.559 4.566 0 40 HJAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 847238 BEDYOAPLRDMXJP-HSZRJFAPSA-N 420.509 4.769 0 40 HJAB COc1ccc(OC)c(C(=O)CSc2nnc3c(C)cc4cc(C)cc(C)c4n23)c1 929741 NVYMJINNTUQKAR-UHFFFAOYSA-N 421.522 4.800 0 40 HJAB COc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363875 SFGGQRUROYMGEY-HNNXBMFYSA-N 412.877 4.810 0 40 HJAB CCOc1ccccc1N(CCN(C)C)C(=O)C(c1ccccc1)c1ccccc1 1758899 CJVHCNDIRPRHON-UHFFFAOYSA-N 402.538 4.812 0 40 HJAB O=C(COc1ccc2ccccc2c1)Nc1ccccc1C(=O)NC1CCCCC1 2136970 BHQGGKQQNHMMHF-UHFFFAOYSA-N 402.494 4.920 0 40 HJAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cc(C)cc(C)c2)cc1 2202523 QZZFZAMLUVFSAE-UHFFFAOYSA-N 400.478 4.768 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C3=O 2406973 BJLZTHIVYIBARP-OAQYLSRUSA-N 403.409 4.887 0 40 HJAB CCC[C@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 3533688 TWBBNYGYPMRAJD-AWEZNQCLSA-N 418.950 4.637 0 40 HJAB CCCCC(=O)Nc1cc(OC)c(NC(=S)Nc2ccc(OC)cc2)cc1OC 4241928 SBBSHRAHHNTYQK-UHFFFAOYSA-N 417.531 4.650 0 40 HJAB CCN(CC)CCN(C(=O)c1ccc(C(C)=O)cc1)c1nc2ccc(C)cc2s1 4359433 GWTVHYGFIKHIED-UHFFFAOYSA-N 409.555 4.796 0 40 HJAB Cc1cccc(NC(=O)c2c(NC(=O)CN3CCCC[C@H]3C)sc3c2CCC3)c1 4554481 ZJNGICXZKOIDTB-MRXNPFEDSA-N 411.571 4.610 0 40 HJAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)c(C)c1 4556243 RCURUMVKQYHKLH-AREMUKBSSA-N 417.480 4.758 0 40 HJAB COc1cccc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@@H]2c2ccccc2)c1 4815010 PDWQODMSHOYVKR-PKTZIBPZSA-N 410.477 4.668 0 40 HJAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1)NC12CC3CC(CC(C3)C1)C2 4883332 GABXTSZTXMEAEK-UKBGNOBASA-N 413.631 4.902 0 40 HJAB CCOc1ccccc1NC(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21 4986560 KFQXHHUQOOFCRC-UHFFFAOYSA-N 413.477 4.582 0 40 HJAB CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C)cc1)N(c1cc(C)on1)C3=O 5322219 GSBJARCWTSOZEH-NRFANRHFSA-N 400.434 4.710 0 40 HJAB O=C(NC[C@H]1CCCO1)c1cc2c([nH]c3ccccc32)c(-c2cccc(Cl)c2)n1 6112698 DMYSSGHGJCJXRJ-MRXNPFEDSA-N 405.885 4.945 0 40 HJAB biogenic Cn1c(SCC(=O)NC2CCCCCC2)nnc1-c1ccc(C(C)(C)C)cc1 6148217 SUORYMAGOWVFRA-UHFFFAOYSA-N 400.592 4.711 0 40 HJAB O=C(CSc1nnc(Cc2ccccc2)o1)NC(c1ccccc1)c1ccccc1 6544156 XUUPNHHOQNQMNU-UHFFFAOYSA-N 415.518 4.658 0 40 HJAB O=C(/C=C/c1cccs1)N(CCCn1ccnc1)c1nc2ccc(F)cc2s1 7424649 MVMNMTXHGIYCCR-FNORWQNLSA-N 412.515 4.830 0 40 HJAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(Br)cc1 7921979 SZWBRZRYTIMVGQ-GFCCVEGCSA-N 404.333 4.690 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 8160607 CZCSOBLUOZQUHR-DYVFJYSZSA-N 410.297 4.957 0 40 HJAB CCC(C)(C)NCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 8763049 FOFUFKIABYKSLI-UHFFFAOYSA-N 407.436 4.674 0 40 HJAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3Cl)cc21 8959788 VUYADRYMIRVOKG-UHFFFAOYSA-N 400.906 5.000 0 40 HJAB CCc1cccc(NS(=O)(=O)c2c(-c3ccc(C)cc3)csc2C(=O)OC)c1 9002254 ULCFIOZNMGKDEK-UHFFFAOYSA-N 415.536 4.873 0 40 HJAB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1)c1cc2ccccc2o1 9062125 KQDRKURNYLXBHJ-UHFFFAOYSA-N 424.416 4.987 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)o2)c1 9119540 FCXYDJXNGXXDCD-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB CCOc1cccc2cc(-c3nnc(NC(=O)CSc4ccc(F)cc4)o3)oc12 9168680 PKNVBFXVUCUBKN-UHFFFAOYSA-N 413.430 4.751 0 40 HJAB COc1ccccc1OCC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 10955510 FFTAFFJUOTUYJE-UHFFFAOYSA-N 420.437 4.746 0 40 HJAB COc1cc(NC(=O)c2ccccc2Oc2ccccc2)ccc1N1CCCC1=O 11257927 APCVTAQUCAPQCZ-UHFFFAOYSA-N 402.450 4.867 0 40 HJAB Cc1ccc2oc(CN(Cc3ccco3)C[C@H](O)Cn3nc(C)cc3C)c(C)c2c1 12186027 GMWNYRLGFSATEZ-FQEVSTJZSA-N 407.514 4.519 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H](c3cc4c(C)c(OC)ccc4cn3)C2)cc1 12187871 AWTAYDLKQKCNGG-FQEVSTJZSA-N 404.510 4.509 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccc(F)cc3)n2)cc1OC 12371368 RFKHHJXWYZZAAJ-UHFFFAOYSA-N 419.412 4.812 0 40 HJAB O=c1c2ccsc2ncn1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 12544494 ZOWXVJDHHYFBMV-UHFFFAOYSA-N 406.898 4.558 0 40 HJAB Cc1ccc(NC(=O)c2ccc3c(=O)n(-c4cccc(C)c4C)c(=S)[nH]c3c2)nc1 12550617 MYQXVLQIPUZFEZ-UHFFFAOYSA-N 416.506 4.621 0 40 HJAB Cc1cccc(COc2ccccc2C(=O)OCC(=O)Nc2cccc(C)c2C)c1 12613781 GQWYQKASMNLVMX-UHFFFAOYSA-N 403.478 4.986 0 40 HJAB CCc1ccc2oc(-c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O)nc2c1 12856593 ACIKHKULJWJJEV-UHFFFAOYSA-N 402.406 4.744 0 40 HJAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3ccccc3c2)cc1Br 13137293 RPMFSJMFGXVUAG-CYBMUJFWSA-N 420.328 4.650 0 40 HJAB CCn1c(-c2ccco2)nn(CN2CCC[C@H]2c2ccc(OC)cc2OC)c1=S 14183183 ADBNUKLGZSHQOI-KRWDZBQOSA-N 414.531 4.506 0 40 HJAB O=c1c(Cl)c(NCc2ccc(COCC(F)(F)F)cc2)cnn1-c1ccccc1 14316451 PIHAJYLJGYMGIM-UHFFFAOYSA-N 423.822 4.577 0 40 HJAB O=c1c2sccc2nc(SCc2nc(-c3ccccc3)no2)n1-c1ccccc1 16842928 UQDWTQPLQCGHRL-UHFFFAOYSA-N 418.503 4.790 0 40 HJAB COc1c(C(=O)NC(=S)Nc2ccccc2)cc2ccccc2c1Br 17090223 CCHHFZZWNCBLKE-UHFFFAOYSA-N 415.312 4.738 0 40 HJAB Cc1ncc(CN2CCC[C@@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c34)C2)cn1 19287223 MVKZBCHETYPALL-OAHLLOKOSA-N 419.451 4.843 0 40 HJAB Cc1noc2nc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)cc(C(F)F)c12 19564780 VDXHCEBIGVPYCT-UHFFFAOYSA-N 403.404 4.557 0 40 HJAB O=C(NCC1(c2ccccc2Cl)CC1)C1(c2ccc(Cl)cc2)CCOCC1 19662063 PULSOINLPOYVJZ-UHFFFAOYSA-N 404.337 4.890 0 40 HJAB CC(C)C(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccc(C(F)(F)F)cc2)CC1 19694858 YDSDVPLWMFRGAZ-UHFFFAOYSA-N 420.479 4.590 0 40 HJAB CCC(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(=O)N2CCCC2)CC1 19700510 YQMCCZCQRNEULR-UHFFFAOYSA-N 422.544 4.676 0 40 HJAB CCc1cccc(CC)c1NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 20063176 VMLBIVFUFJVKCI-UHFFFAOYSA-N 420.534 4.626 0 40 HJAB COc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1-c1ccc(CO)o1 20144353 CHHFWARLUOJFDE-UHFFFAOYSA-N 415.873 4.735 0 40 HJAB COc1ccc(Cc2nnc(SCc3ccc(Br)cc3)o2)cc1OC 20759905 JCEBAZYHBDFMTO-UHFFFAOYSA-N 421.316 4.732 0 40 HJAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccccc3Cl)c3ccccc32)c(C)c1 21343641 XAHBGIDJSPIOKM-VWLOTQADSA-N 419.908 4.964 0 40 HJAB CCn1cc(C(=O)N[C@H](C)c2ccc(F)cc2)c(=O)c2cc(C(F)(F)F)ccc21 22606073 RBJKLWBITYVLQT-GFCCVEGCSA-N 406.379 4.670 0 40 HJAB Cc1nc(NC(=O)c2nc(Cl)ccc2Cl)sc1Cc1ccc2c(c1)OCO2 22915461 PNDWASDUCLPQHH-UHFFFAOYSA-N 422.293 4.725 0 40 HJAB O=C(Nc1ccc(OC[C@H](O)COc2ccc(Cl)cc2Cl)cc1)c1ccco1 27213339 NBODJMNINAGGLS-HNNXBMFYSA-N 422.264 4.657 0 40 HJAB O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1ccc(Br)cc1 28574286 UBDDHUHKRRYAMH-UHFFFAOYSA-N 408.658 4.739 0 40 HJAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C(C)C)cc2)C12CCCC2 32104496 KTQMRMLIBGSZFG-HSZRJFAPSA-N 420.553 4.947 0 40 HJAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(C)cc2)cs1)c1ccccc1Cl 32937482 WMRRNMFCEAMUGE-SFHVURJKSA-N 413.930 4.978 0 40 HJAB CCc1ccc(-c2ccc(SCc3nc(-c4ccc5c(c4)OCO5)no3)nn2)cc1 33262469 NHWOUROXQNCQQX-UHFFFAOYSA-N 418.478 4.777 0 40 HJAB Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccco4)nc4onc(C)c34)n2)cc1 36617495 UANJACMYVKGRMZ-UHFFFAOYSA-N 413.437 4.597 0 40 HJAB O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cc(Br)ccc1Cl 40157298 BQPOKEILQZGFIA-GOSISDBHSA-N 422.706 4.755 0 40 HJAB O=C(Nc1nn2c(-c3ccccc3)nnc2s1)C(c1ccccc1)c1ccccc1 41076425 XPKKRMZNGHQZSO-UHFFFAOYSA-N 411.490 4.623 0 40 HJAB COc1cc(Nc2c(-c3nc(C4CC4)no3)cnc3nc(C)ccc23)cc(OC)c1 49420758 JKSPRQXYEVIFRT-UHFFFAOYSA-N 403.442 4.626 0 40 HJAB O=C(Nc1cccc(Cl)c1)NC1(c2cccc(Br)c2)CCOCC1 58066907 RDBVAAPBSRCZQX-UHFFFAOYSA-N 409.711 4.930 0 40 HJAB CC(C)[C@@H](CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)NC(=O)OC(C)(C)C 72286135 JOBCTJQHFVRCJK-CQSZACIVSA-N 414.333 4.754 0 40 HJAB Cc1nc(N2CCC(N(C)CC(F)F)CC2)c2cc(-c3ccccc3)sc2n1 72313954 SKBAOFOXYKDWOB-UHFFFAOYSA-N 402.514 4.832 0 40 HJAB COc1cccc(-c2nccc([C@@H]3CCCN3C(=O)c3ccc4ccccc4n3)n2)c1 72355874 FNKMEVWCIILHTE-QHCPKHFHSA-N 410.477 4.678 0 40 HJAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 79024813 WRUCMRQUIDWXQE-NEPJUHHUSA-N 406.269 4.688 0 40 HJAB Cc1nc(-c2c[nH]c(C(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccccc3)c2)cs1 84274913 OGLXIALFLDWJMJ-KNQAVFIVSA-N 409.555 4.955 0 40 HJAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cnoc1-c1ccc(Cl)s1 84651604 DNEMLJZYJFPPRW-GFCCVEGCSA-N 410.948 4.653 0 40 HJAB Cc1nc(-c2ccccc2F)sc1CNC(=O)[C@H](C)Oc1ccccc1Cl 90592918 MNLREZQSFYDRQJ-ZDUSSCGKSA-N 404.894 4.995 0 40 HJAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H](C)c3ccccc3)CC2)on1 100744042 MHOGDKBKGRCYRF-GGPKGHCWSA-N 406.530 4.577 0 40 HJAB Cc1nn2c(=O)cc(CSc3nc4ccccc4s3)[nH]c2c1-c1ccccc1 101298847 IDBSOJJMIAZRAM-UHFFFAOYSA-N 404.520 4.900 0 40 HJAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 102633284 LMWJKRTVEQKHOC-OWLDWWDNSA-N 409.294 4.578 0 40 HJAB C[C@@H](C(=O)N1[C@H](C)CCC[C@H]1C)n1nc(C(F)(F)F)c(Br)c1C1CC1 102637783 YANHPWOAIVBODE-MXWKQRLJSA-N 422.289 4.892 0 40 HJAB COC(=O)/C=C1\CC[C@H]2[C@@H]3CC=C4C=C(N5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118928981 WWWFGNPHCWUJER-CMRVGPCMSA-N 409.570 4.817 0 40 HJAB CCc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccccc2)cc1 197712578 NWJCCNRNFBSMLS-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB Cc1ccc(SCCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222629846 PCDADPBTLCDMCZ-IBGZPJMESA-N 412.599 4.809 0 40 HJAB COC(=O)c1cn(C(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc12 222639984 WOCFWGHFMQDTGG-KRWDZBQOSA-N 410.901 4.634 0 40 HJAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 222882218 JCOOJETZURYCGO-JOCHJYFZSA-N 406.482 4.568 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OC)cc1 222977196 OSXMSDKKTPMPPF-YADHBBJMSA-N 406.555 4.654 0 40 HJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCC1(c2ccccc2)CCOCC1 223276920 UATYKXLMIQQYBV-XMMPIXPASA-N 403.522 4.862 0 40 HJAB Cc1ccccc1CN1CCC(C(=O)NCCOc2ccc3ccccc3c2)CC1 223625282 QKAAQYZCSXRMMH-UHFFFAOYSA-N 402.538 4.555 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NCC 223636299 INKSGOJCLAHUDZ-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 223792791 AHNLRLLRQRVBJV-FQEVSTJZSA-N 424.610 4.872 0 40 HJAB COc1ccccc1CNC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 224162518 KBHXYJHKVBEWLZ-UHFFFAOYSA-N 411.885 4.866 0 40 HJAB Cc1cccc(CN2CCC(C(=O)NCCOc3ccc(C(C)(C)C)cc3)CC2)c1 224529672 LZBTVZHNXFBOEE-UHFFFAOYSA-N 408.586 4.700 0 40 HJAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccccc1OC 224577867 YAKRIGVOBLXUOU-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB COc1ccc([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 224843242 SJFOQZHNBHSASE-WPGBELRESA-N 420.534 4.713 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 225034258 GEENXJHZKNOYNO-HXUWFJFHSA-N 424.585 4.695 0 40 HJAB C[C@H]1Cc2ccccc2N1CCCNC(=O)c1cc(Br)ccc1Cl 225075276 UGCDRZAFXCTTOU-ZDUSSCGKSA-N 407.739 4.674 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 225114181 LWWKGBDPPYARNH-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 225125665 JMGVSNMURJMVTK-XMMPIXPASA-N 424.585 4.831 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 225555249 HTCSLYYTELRKDO-PGRDOPGGSA-N 414.977 4.913 0 40 HJAB CC[C@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc(OC)c(OC)c1 225875283 IUDYKRCRIIIEBB-KRWDZBQOSA-N 411.926 4.997 0 40 HJAB COc1cc(-c2nc3cc(N4Cc5ccccc5C4=O)ccc3o2)cc(OC)c1OC 226286700 WHJYEJWPSSLPRZ-UHFFFAOYSA-N 416.433 4.681 0 40 HJAB COCCC(=O)N[C@]1(C)C[C@H](c2ccccc2OC(C)C)O[C@@H]2C[C@H](C)CC[C@H]21 257199867 ABBRJJQHKKGXNP-CXAIKNRHSA-N 403.563 4.651 0 40 HJAB CO[C@H]1CC[C@H](C(=O)N2CCc3onc(Nc4cccc(C(F)(F)F)c4)c3C2)CC1 257222822 DUUSUEIQBDHGHT-SAZUREKKSA-N 423.435 4.527 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408553136 ODWXNPCDSOQMNR-KRWDZBQOSA-N 410.539 4.577 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1C(=O)N1CCCCC1 408616923 BPBLAWUCBLAZMM-UHFFFAOYSA-N 408.523 4.575 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccccc1Cl 408661103 BAFFAZIMHZLIOG-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB O=C(CSCc1cccc(Br)c1)NCCSC1CCCCC1 409027943 GTXGOKURPDQDNV-UHFFFAOYSA-N 402.423 4.864 0 40 HJAB CC[C@@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccc(NC(C)=O)cc3)ccc21 585105870 VRUDQTMSSYUQOT-QGZVFWFLSA-N 406.526 4.753 0 40 HJAB CC1(C)C[C@@]2(CCCN2C(=O)c2cccc(C(F)(F)F)n2)CN1c1cccc(F)c1 2037988598 ZVVXDILVASWHTJ-NRFANRHFSA-N 421.438 4.903 0 40 HJAB Cc1ccc2cc(C)c3nnc(SCC(=O)N4c5ccccc5C[C@@H]4C)n3c2c1C 903199 TXLJOFKIIJENKA-INIZCTEOSA-N 416.550 4.878 0 40 HJAB Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)cc1C 1379962 DWXNIUONEDHHJM-QHCPKHFHSA-N 417.509 4.738 0 40 HJAB FC(F)(F)c1cccc(N2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)c1 1772280 XVEXMTBXVSDIDR-UHFFFAOYSA-N 418.488 4.916 0 40 HJAB O=C(c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCCCCC1 2364157 JODRCOJKCZQUEU-YPMHNXCESA-N 416.831 4.806 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccccc1F 2396232 YXBOURAWEKHFKB-UHFFFAOYSA-N 414.487 4.518 0 40 HJAB Cc1ccc2c(CC(=O)O[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)coc2c1 2662951 SFGGRQLOVBGCSE-NSHDSACASA-N 407.253 4.556 0 40 HJAB CCOc1ccccc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 3215519 MSAXTOHSOPNXFG-UHFFFAOYSA-N 403.434 4.505 0 40 HJAB CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)Nc1nc(-c2ccc(F)cc2)cs1 4179846 IVSADFKIURGWBT-NONVJHHQSA-N 400.475 4.581 0 40 HJAB CCCCN[C@H](C)[C@@H](O)c1ccc(-c2ccc([C@H](O)[C@@H](C)NCCCC)cc2)cc1 4430026 HLQCZIGONWBKKO-DOOQXGAZSA-N 412.618 4.977 0 40 HJAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 4676830 HRRKASOLYNBWPA-UHFFFAOYSA-N 403.301 4.899 0 40 HJAB Cc1nc(NCCNC(=O)Nc2ccccc2Cl)c2c3c(sc2n1)CCCC3 4848578 BESIWSLDWQFURH-UHFFFAOYSA-N 415.950 4.766 0 40 HJAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 5136302 IGHWGWXUYMRROO-UHFFFAOYSA-N 406.507 4.667 0 40 HJAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc2ccccc12 5499794 VKAKHDOAPBFJKU-UHFFFAOYSA-N 418.522 4.761 0 40 HJAB O=C1Nc2ccccc2[C@@]12CC(c1ccc(F)cc1)=NC(=S)N2c1ccccc1 5800009 QOZFHCUZWPFFIM-QHCPKHFHSA-N 401.466 4.658 0 40 HJAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 6355174 GLGYFYWIDQBGCN-UHFFFAOYSA-N 401.768 4.553 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 6510886 QBCZGWKEQFLNTQ-UHFFFAOYSA-N 414.552 4.967 0 40 HJAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(F)cc1 6913972 SNFHMORWNGTJGE-UHFFFAOYSA-N 411.289 4.659 0 40 HJAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1nc2ccccc2s1 7217471 AXRYXJJPYUBWHK-HNNXBMFYSA-N 412.458 4.841 0 40 HJAB Cc1ccc2nc(NC(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)sc2c1 7574191 XHIYXSFULSEXEK-UHFFFAOYSA-N 409.898 4.720 0 40 HJAB O=C1c2ccccc2N[C@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)N1C1CC1 7886344 PPDAUDAXLQPQGR-VWLOTQADSA-N 421.504 4.722 0 40 HJAB Cc1nc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2CC(C)C)sc1C 8365430 DNCZIMKUJLMBPU-OAHLLOKOSA-N 415.588 4.794 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(c2ccc(F)cc2)CC1 8675040 LZLMJIQBLYTYPB-UHFFFAOYSA-N 401.791 4.852 0 40 HJAB COc1ccc(Cc2nnc3sc(/C=C/c4cccc(C(F)(F)F)c4)nn23)cc1 8763716 PJMMHXIDDPSTGS-JXMROGBWSA-N 416.428 4.974 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1F)c1ccc(F)cc1 8810833 OXIRLONLAOWXIW-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c1C 8840827 UGDAVSGNPCXHNO-UHFFFAOYSA-N 414.571 4.656 0 40 HJAB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(CN2CCCC2)cc1 10329206 BQUZUCZKZIANPM-UHFFFAOYSA-N 405.542 4.597 0 40 HJAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccc(Br)cc1 11667293 SDHYOZLVKIHSPE-AWEZNQCLSA-N 424.298 4.931 0 40 HJAB Cc1cc(C)cc(N2C[C@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)c1 12414363 SBAIZVGGFBFJDA-OAHLLOKOSA-N 401.388 4.893 0 40 HJAB CCOc1ccc([C@@H]2CCCN2Cn2nc(-c3ccccc3F)n(C)c2=S)cc1 12990400 QSDSMEFWVLWQIG-FQEVSTJZSA-N 412.534 4.950 0 40 HJAB CC(C)COc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 13074290 AWCNDQZVPMOXPY-UHFFFAOYSA-N 406.448 4.703 0 40 HJAB O=S(=O)(Cc1ccc(Br)cc1)Nc1ccc(OC2CCCC2)cc1 13669022 IYXSEDRUJYYEFS-UHFFFAOYSA-N 410.333 4.712 0 40 HJAB CC(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 13944738 RKKXARNTYYSJSB-KRWDZBQOSA-N 423.944 4.974 0 40 HJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1 13987814 IURFSKLTMJJIBB-UHFFFAOYSA-N 413.514 4.976 0 40 HJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 14004477 VOWJNYDTWQMALZ-GOSISDBHSA-N 424.522 4.510 0 40 HJAB FC(F)(F)c1ccc(-c2noc(CN3CCC(N4CCCCCC4)CC3)n2)cc1 19336958 YXRNRJNGCPUQDA-UHFFFAOYSA-N 408.468 4.596 0 40 HJAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN(Cc4cccnc4)C3)cc2n1 19452286 IPERPZIYARYTCB-INIZCTEOSA-N 403.452 4.646 0 40 HJAB Cc1nc(-c2cccnc2)sc1C(=O)N[C@@H](C)c1ccc(Br)cc1 20030092 HDSFWWJJEQKJML-NSHDSACASA-N 402.317 4.767 0 40 HJAB CN1CCc2nc3sc(C(=O)c4cccs4)c(N)c3c(-c3cccs3)c2C1 20813208 QTFCHHVLWHJMLT-UHFFFAOYSA-N 411.577 4.887 0 40 HJAB COc1ccccc1CNC(=O)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 22073062 HRCRXMDUTMALMV-UHFFFAOYSA-N 417.387 4.662 0 40 HJAB S=c1[nH]nc(-c2ccncc2)n1NCc1ccccc1OCc1ccccc1Cl 22110547 DMRHQHHWCHNTHN-UHFFFAOYSA-N 423.929 4.979 0 40 HJAB O=C(Nc1ccccc1)c1ccccc1OC[C@@H](O)COCc1ccc(Cl)cc1 24757685 VYPKOYJQUMDKPH-FQEVSTJZSA-N 411.885 4.549 0 40 HJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)c2ccc(F)cc2F)nc1 25278495 OYPLPFRBNHZEJN-HNNXBMFYSA-N 417.481 4.748 0 40 HJAB O=C(c1ccn(COc2ccc(-c3ccccc3)cc2)n1)N1CCc2ccccc2C1 27972031 BPBKCDUZULEQSF-UHFFFAOYSA-N 409.489 4.785 0 40 HJAB COc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)cc1 29302307 FXRATDQJOGXTAH-UHFFFAOYSA-N 420.494 4.575 0 40 HJAB COc1cccc(NC(=O)CSc2ncnc3c2sc2nc(C)cc(C)c23)c1 32090503 AKFJKOWJEGYXNB-UHFFFAOYSA-N 410.524 4.596 0 40 HJAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 32988919 HJEKIVKBBCRFNF-UHFFFAOYSA-N 424.504 4.558 0 40 HJAB Cc1cccc(C)c1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C 33089191 IWQBTQLIVMAINS-ZDUSSCGKSA-N 411.299 4.750 0 40 HJAB CC(C)(C)c1ccc(-c2nc(-c3ccccc3OCC(=O)N3CCCC3)no2)cc1 33325110 WJLHZFGWEDWCPW-UHFFFAOYSA-N 405.498 4.702 0 40 HJAB Cc1nc(SCc2nnc(C(=O)Nc3ccc(F)cc3)s2)n(CC(C)C)c1C 36734585 XFJLRJQFEPUSAP-UHFFFAOYSA-N 419.551 4.691 0 40 HJAB CSc1ncccc1C(=O)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 36773830 DVDBHHCTBVHMFE-RMKNXTFCSA-N 418.518 4.935 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1ccnc(Oc2ccccc2)c1 40110668 CZOOMATYWFTEFC-UHFFFAOYSA-N 418.884 4.951 0 40 HJAB Cc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)cc(-c2ccccn2)n1 49007125 HBABWCXONBUVPJ-UHFFFAOYSA-N 405.310 4.885 0 40 HJAB Cc1ccccc1CNC(=O)CSc1ccc(-c2nc(-c3ccccc3)no2)cn1 49405653 NGXFLLFRFQMSCE-UHFFFAOYSA-N 416.506 4.516 0 40 HJAB CCc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2C)c(-c2cccc(Cl)c2)n1 57527700 PGDNYNMGPVWOIJ-UHFFFAOYSA-N 416.308 4.727 0 40 HJAB CCN1c2ccc(C(=O)Nc3cc(C)ccc3C)cc2-c2ccccc2S1(=O)=O 65315051 VWONZNXRFCLPHH-UHFFFAOYSA-N 406.507 4.751 0 40 HJAB C[C@@H]1CN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)C[C@H](c2ccccc2)O1 65591389 QQOMUWDGBLWIFL-FOIQADDNSA-N 412.436 4.541 0 40 HJAB Cc1cc(-c2cnn(C)c2)cc([C@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)n1 72353724 AYDFCQDJXXMPDQ-FQEVSTJZSA-N 420.532 4.659 0 40 HJAB CCc1ccc(S(=O)(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)s1 83825508 COACDGRHNNWVIY-UHFFFAOYSA-N 421.565 4.539 0 40 HJAB COc1ccc(C2=C[C@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1OC 100752903 LWXSUEHFUYHXQO-MRXNPFEDSA-N 403.269 4.658 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc(F)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 102759870 CGTHHUAWOJLGOO-ACRUOGEOSA-N 422.843 4.530 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 222589381 BRCCGSDPUYYJKY-JOCHJYFZSA-N 414.977 4.831 0 40 HJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(OC)cc3)N21 222707898 RWFVPQPMKPUOHC-WQTXXOFMSA-N 404.539 4.860 0 40 HJAB COc1ccc(-c2ncc(C(=O)Nc3ccc(C)cc3Br)c(C)n2)cc1 223147492 PFKRJIMEWJMTBF-UHFFFAOYSA-N 412.287 4.784 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 223210395 DSXQMZPAWCTQAZ-HSZRJFAPSA-N 408.586 4.876 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1Cc1ccncc1 223516944 DLAFWCWSRMYRFF-YADHBBJMSA-N 403.555 4.566 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(CC)cc1 224067831 LIKNDCRQKXJZFO-RUZDIDTESA-N 422.613 4.948 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 224703276 VHVFEVSSRFHPOY-OAQYLSRUSA-N 418.940 4.601 0 40 HJAB CCCOc1ccccc1CCCNS(=O)(=O)c1ccc2cc(OC)ccc2c1 224875658 VMBBACAUSLUMPG-UHFFFAOYSA-N 413.539 4.548 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 225555215 HTCSLYYTELRKDO-XMSQKQJNSA-N 414.977 4.913 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 225573853 FKYWXYBRTJVDSP-XUZZJYLKSA-N 424.585 4.713 0 40 HJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)c(C)c1 225791103 OJUHYINKMWAJEC-KRWDZBQOSA-N 400.544 4.542 0 40 HJAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c2cccnc12 225878275 OLJSFPFOHAALHR-UHFFFAOYSA-N 420.509 4.719 0 40 HJAB Cc1cc(C)nc(Nc2ccc(C(=O)N3CCc4cc(Br)ccc43)cc2)n1 225912545 IQSWKGNZRQUOHP-UHFFFAOYSA-N 423.314 4.802 0 40 HJAB CCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccc(F)cc2)n(C[C@H](O)CC)n1 257235854 GZVLHIVYZLDDSN-GOSISDBHSA-N 412.461 4.614 0 40 HJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(F)cccc2F)cc1 408678690 UQZKFUUTZWKCMC-UHFFFAOYSA-N 406.388 4.715 0 40 HJAB Cn1cc(-c2ccc(N3CCC([C@@H]4c5c(F)cccc5-c5cncn54)CC3)cc2)cn1 1776011370 UJGQDAMZVUNFBQ-RUZDIDTESA-N 413.500 4.909 0 40 HJAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cc(C)ccc1C 684368 BMYYXNQEXJEIBP-NRFANRHFSA-N 406.511 4.712 0 40 HJAB Cc1cc(C)c2cc(CN(C(=O)NCc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 1371242 YJVLIWDDBIOPGY-UHFFFAOYSA-N 403.526 4.799 0 40 HJAB COc1ccccc1[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1nccs1 2421102 DSHNGQFXQVHZIP-QGZVFWFLSA-N 424.865 4.661 0 40 HJAB Cc1cc(C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(C)n1Cc1ccco1 2624507 UBLCHYCLQUCRIT-CQSZACIVSA-N 411.523 4.972 0 40 HJAB O=C(COc1ncnc2sc3c(c12)CCC3)Nc1ccccc1-c1ccccc1 3269938 SIUKVWAMZQWRLQ-UHFFFAOYSA-N 401.491 4.865 0 40 HJAB Cc1ccccc1Nc1nnc(SCC(=O)N[C@H](C)c2ccc(F)cc2)s1 3465514 LFAKYJBNGZKDKD-CYBMUJFWSA-N 402.520 4.699 0 40 HJAB O=C(Nc1ccc(Cl)c(C(=O)c2ccccc2)c1)c1cc(=O)c2ccccc2o1 4077631 QAHXTKOAUAQMGS-UHFFFAOYSA-N 403.821 4.930 0 40 HJAB CCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2ccccc2C)c2ccccc21 4551413 PNNWYAGWWPVBRR-SILNSSARSA-N 407.473 4.601 0 40 HJAB CC(C)OC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CCCC2 4558299 MFIPLIZTONLYHM-UHFFFAOYSA-N 407.919 4.863 0 40 HJAB Fc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(c4ccccc4)CC3)n2)cc1 4734318 NDWAQNUKRDANAR-UHFFFAOYSA-N 402.395 4.628 0 40 HJAB CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1cc(OC)cc(OC)c1 4849386 PXNDDWLHRZVEFW-UHFFFAOYSA-N 412.511 4.554 0 40 HJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccc(F)cc1 4937047 PUVQPKXVBTZZLN-UHFFFAOYSA-N 401.437 4.819 0 40 HJAB O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1 5000938 TYLUTGDWVHNZTM-UHFFFAOYSA-N 407.857 4.910 0 40 HJAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)o2)cc1 5170159 NPDGFNDSKBFXBT-YWZLYKJASA-N 423.538 4.810 0 40 HJAB O=C(COc1ncnc2scc(-c3ccccc3)c12)N[C@@H]1CCCc2ccccc21 6051678 UQRCQWQJXQIAJT-HXUWFJFHSA-N 415.518 4.931 0 40 HJAB aggregator CCCCn1nc(C(=O)Nc2ccc(Br)c(C)c2)c2ccccc2c1=O 6138538 ZMWYSGMXORYABR-UHFFFAOYSA-N 414.303 4.520 0 40 HJAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1 6356083 UHUANFPQQGJDFJ-AEOXGOBCSA-N 414.303 4.563 0 40 HJAB COC(=O)COc1cc2c(cc1[C@@H](C)c1ccc(OCc3ccccc3)cc1)OCO2 6437409 KUAZDULXICHRRP-KRWDZBQOSA-N 420.461 4.698 0 40 HJAB C[C@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc(C(N)=O)cc1 6509530 QNLSCGMNMVTNGD-VIFPVBQESA-N 402.825 4.577 0 40 HJAB CC(=O)c1ccc(O[C@H](C)C(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)cc1 6578551 RMJPBKBWSPLBAK-UKRRQHHQSA-N 416.930 4.834 0 40 HJAB COc1cccc([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)c1OC 6679006 JFBNXYZNRVZXLM-VFNWGFHPSA-N 423.538 4.670 0 40 HJAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1nc(-c2cccs2)cs1 6947342 CUVDAQXRAPNJQL-UHFFFAOYSA-N 405.932 4.674 0 40 HJAB C=CCc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(OCC)c1OCC 6959632 RFUYQTKYKMCAOH-KGENOOAVSA-N 420.509 4.614 0 40 HJAB Fc1ccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccccc3)n2)cc1 7218567 MCFSVEXNJWRMAU-UHFFFAOYSA-N 407.474 4.685 0 40 HJAB CCc1cccc(C)c1NC(=O)COC(=O)c1c(C)nn(-c2ccccc2)c1Cl 7478473 IDBISIUVWDIQLX-UHFFFAOYSA-N 411.889 4.500 0 40 HJAB CCOc1c(Br)cc(C(=O)N[C@@H]2CCCc3ccccc32)cc1OC 7699016 HNUGYVRVRAKJIW-QGZVFWFLSA-N 404.304 4.664 0 40 HJAB COc1ccc(C(C)=O)cc1CC(=O)N(C1=N[C@H](C)CS1)c1ccc(Cl)cc1 7735284 SULDJKYXXPNPLE-CYBMUJFWSA-N 416.930 4.618 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1C1CC1 8229579 WPTZENHAXMPGMB-CQSZACIVSA-N 403.511 4.828 0 40 HJAB COc1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(C3CCCCC3)c(=O)n1C2 8297947 DPQYAGTVHKBPAZ-PKOBYXMFSA-N 421.541 4.556 0 40 HJAB biogenic,in-vitro O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1cccc(C(F)(F)F)c1 9198127 CTJRDZFJPBTXHL-UHFFFAOYSA-N 412.824 4.875 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1nc(-c2cccs2)no1 9777938 CAXGJMGVHNWJLB-UHFFFAOYSA-N 419.821 4.911 0 40 HJAB COCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](c1cccs1)C3 10156935 QDODRCYLQXLAFT-CYBMUJFWSA-N 424.913 4.565 0 40 HJAB Cc1occc1-c1nc(NCc2ccccc2-n2ccnc2)ncc1-c1ccncc1 12221448 AGZSCKVWGQLRFY-UHFFFAOYSA-N 408.465 4.905 0 40 HJAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3ccc4nnc(-c5ccncc5)n4n3)cc2)c1 12237517 WMANEAUIHNTDKE-UHFFFAOYSA-N 420.476 4.722 0 40 HJAB CCCCNC(=O)c1nnn(-c2ccc3noc(-c4ccc(Cl)cc4)c3c2)c1C 12274504 IKDKOTWVQVYUFM-UHFFFAOYSA-N 409.877 4.567 0 40 HJAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nc2ccccc2s1 13139950 BTQMFCSFGKALRB-UHFFFAOYSA-N 422.553 4.586 0 40 HJAB O=C(NC1CC1)c1cc(SCc2nc(-c3ccsc3)no2)nc2ccccc12 14186393 QFXXUVKJAJXIKD-UHFFFAOYSA-N 408.508 4.531 0 40 HJAB COc1cc(/C=C/C(=O)N(Cc2cccs2)C[C@H]2CCCO2)ccc1OC(F)F 17371029 MEDMJJXMBRGRIP-MNDMWVCDSA-N 423.481 4.579 0 40 HJAB CCOc1ccc(NC(=O)c2nnc3c(-c4cccc5ccccc45)cnn3c2C)cc1 19817175 KIYGTELXWYPVNK-UHFFFAOYSA-N 423.476 4.904 0 40 HJAB Cc1ccc(OCC(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 19889477 WJRLELJLMWTCJX-UHFFFAOYSA-N 416.521 4.511 0 40 HJAB Cc1cc(OC[C@@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)ccc1C(C)C 19901736 YDFMJETZFJIHFH-NRFANRHFSA-N 416.993 4.642 0 40 HJAB CC(=O)Nc1sc2c(c1[C@H](c1cccc(Cl)c1)N1CCOCC1)CCCC2 20192272 RVDJYFTVOXHBBB-FQEVSTJZSA-N 404.963 4.660 0 40 HJAB CC[C@H](C)Oc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20462782 NGKDNUMMVJLDBH-ZDUSSCGKSA-N 412.559 4.868 0 40 HJAB O=C1N(Cc2ccccc2)c2ccccc2[C@]12CC(O)=Nc1c2cnn1-c1ccccc1 20716916 QEEDXPLOFRNCJM-SANMLTNESA-N 420.472 4.697 0 40 HJAB O=C(NCc1ccco1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 20732424 OIYZCKSUIKVDIY-QFIPXVFZSA-N 406.526 4.781 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccc(Cl)cc4)cnn32)cc1 20735442 UZMYRQLBUNKLAO-SFHVURJKSA-N 408.845 4.578 0 40 HJAB CCCN(CCC)c1nc(N[C@H](C)CC)nc(OC(C(F)(F)F)C(F)(F)F)n1 21260960 JEPCXPPVCWBAGO-SNVBAGLBSA-N 417.398 4.580 0 40 HJAB FC(F)(F)c1nnc2ccc(NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)nn12 22194501 BVABQSKIUJXXGQ-MRXNPFEDSA-N 422.414 4.868 0 40 HJAB CCc1nc2sc([C@@H](c3ccco3)N3CCC(Cc4ccccc4)CC3)c(O)n2n1 22853864 RSSOWUKWXFXZRB-HXUWFJFHSA-N 422.554 4.696 0 40 HJAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc(Cl)cc1 23499471 XSBHIPIHJUUJKL-JTSKRJEESA-N 406.913 4.559 0 40 HJAB COc1ccc(CCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1 32479905 AHNWGQYYPQCCAA-UHFFFAOYSA-N 409.507 4.694 0 40 HJAB Fc1ccc(-n2c(-c3ccccc3)nn(CN3CCCSCC3)c2=S)cc1 32935462 DEOQGTBEJBIUFR-UHFFFAOYSA-N 400.548 4.606 0 40 HJAB Cn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCc1ccccc1F 35288655 RSJXBPXFGBDPIC-UHFFFAOYSA-N 411.531 4.982 0 40 HJAB CSc1nccn1-c1cccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 40135717 PRSCYQXYUSKQAC-UHFFFAOYSA-N 418.522 4.755 0 40 HJAB COc1ccc(C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2F)cc1 40485564 AAQLLTUMNPPBCJ-QHCPKHFHSA-N 403.453 4.930 0 40 HJAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@H](c1ccccc1F)c1nccn1C 44380321 TYVAIYWTBPGZBY-IIBYNOLFSA-N 409.505 4.530 0 40 HJAB O=C1CN(C(=S)NCc2ccccc2)[C@H](c2ccccc2)c2cc(Cl)ccc2N1 58196696 HMEMKOUCCFKESH-JOCHJYFZSA-N 421.953 4.758 0 40 HJAB COc1ccc(C(=O)Nc2ccnc(Sc3ccccn3)c2)cc1Br 58225642 KUMWNPNYYDZFEX-UHFFFAOYSA-N 416.300 4.651 0 40 HJAB Cc1ccc2nc([C@H]3CCCN3C(=O)c3nn(-c4ccccc4)c4c3CCC4)[nH]c2c1 58297614 ALKSHDLNJSUQGJ-JOCHJYFZSA-N 411.509 4.523 0 40 HJAB Cc1nccn1-c1ccc(CNC(=O)c2cccnc2Nc2cccc(F)c2)cc1F 63109528 YVYXGPONJWBXAW-UHFFFAOYSA-N 419.435 4.528 0 40 HJAB CCN(CC)c1nc2sc(C(=O)N3C[C@H](C)O[C@@H](c4ccccc4)C3)cc2s1 65626456 OTBMUQKGUOWWRE-GOEBONIOSA-N 415.584 4.806 0 40 HJAB CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(CCc3ccccc3)C2)c1 72358519 GZYCWOMNHLCFQU-JOCHJYFZSA-N 400.526 4.524 0 40 HJAB O=C(c1cc(-c2cccs2)on1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 96119098 HLRHQHOBKIIQGQ-LBPRGKRZSA-N 412.496 4.534 0 40 HJAB Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C1=O 101030022 BSNNENDIYSJYIY-ZCNNSNEGSA-N 424.909 4.761 0 40 HJAB O=C(COc1ccc2ccccc2c1Br)NCCSCc1ccco1 218902676 IWASRNJQLXLAIB-UHFFFAOYSA-N 420.328 4.624 0 40 HJAB CCN(c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1)S(=O)(=O)CC 222398304 JOFZNLOCROPKSR-UHFFFAOYSA-N 424.522 4.907 0 40 HJAB Cc1ccc(CN(C(=O)CCc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 222778051 CQGAQZOIPBFTFW-GOSISDBHSA-N 414.977 4.913 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1Cc1cccnc1 223479136 IAOUANPFGWBBIE-VXKWHMMOSA-N 403.555 4.566 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 223652994 BYLCATKPCAGXLK-HSZRJFAPSA-N 424.585 4.714 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 223956961 QOVJDUBCKWCXPK-MRXNPFEDSA-N 421.368 4.706 0 40 HJAB Cc1c(Cl)cnc(NC(=S)NCCCc2ccc(F)cc2)c1Br 223966893 QJWOMAALFACDLI-UHFFFAOYSA-N 416.747 4.864 0 40 HJAB Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)c1 224151662 UDVFBJVSUUEWCV-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)c(C)c1 224188616 JFXNIOFWHRVGFT-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB O=C(O)[C@@H](Cc1ccccc1Sc1ccccc1)N1CCN(c2ccccc2)CC1 225150831 NFIQQJWYMLBYFW-HSZRJFAPSA-N 418.562 4.656 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 225752135 LMWJKRTVEQKHOC-WVGQAWGZSA-N 409.294 4.578 0 40 HJAB CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 226721216 HGZLQJBKHRHJMS-RYRKJORJSA-N 406.452 4.948 0 40 HJAB Cc1nc(Nc2cccc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)n2)sc1C 257209027 BOQYRWSOJRWIEK-UHFFFAOYSA-N 424.545 4.986 0 40 HJAB Cc1cccc(Nc2cccc([C@H]3CN(Cc4cccc5ncccc45)CCO3)n2)n1 257213713 CIUGKCRTEGARAM-HSZRJFAPSA-N 411.509 4.650 0 40 HJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3ccncc3)CC2)on1 257335983 YMQSZOUJFGJDLX-IYARVYRRSA-N 419.529 4.662 0 40 HJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 408584307 NYRCZIJLSKJDOV-UHFFFAOYSA-N 401.532 4.512 0 40 HJAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)COc1ccccc1Cl 408714076 HYROXTFLOSKVOU-UHFFFAOYSA-N 413.905 4.725 0 40 HJAB Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)c1C 408736805 IFNIXSPSVUYNIF-QFIPXVFZSA-N 407.514 4.717 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(OC)c3)[C@](O)(C(F)(F)F)[C@H]2C1 409366135 YXESSMWWTOFKLA-PTSWNOGYSA-N 412.452 4.610 0 40 HJAB O=C(NCCCSc1ccc(F)cc1)c1cc2cc(Br)ccc2[nH]1 1540602127 CZYNZIGVKILCRE-UHFFFAOYSA-N 407.308 4.982 0 40 HJAB Cc1ccccc1NC(=O)CSc1ncnc2c(-c3ccc(F)cc3)nsc12 896145 GXMIVDCVNAGLAC-UHFFFAOYSA-N 410.499 4.932 0 40 HJAB Cc1cccc(NC(=O)Cn2cnc3sc(C)c(-c4ccc(C)c(C)c4)c3c2=O)c1 959623 HTLLAGBBIYHINN-UHFFFAOYSA-N 417.534 4.997 0 40 HJAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 1012824 UTRYIIFWLLCCNW-SJPXOZHESA-N 410.495 4.539 0 40 HJAB CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 1087764 BCNQCXMFBBNJKP-ZDUSSCGKSA-N 407.297 4.772 0 40 HJAB O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2Cl)c1-[n+]1ccccc1 1246562 FAJDUCAUISMTKY-UHFFFAOYSA-O 412.694 4.888 0 40 HJAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3cccc(Cl)c3)c(=O)[nH]c2c1C 1359430 RMECCIDPXNPDIO-NRFANRHFSA-N 424.928 4.620 0 40 HJAB COC(=O)c1ccc(COc2c(-c3ccc(OC)cc3)oc3ccccc3c2=O)cc1 1791361 RQZGGHJEOGTLMR-UHFFFAOYSA-N 416.429 4.834 0 40 HJAB CCCCCOc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 3259153 QQWLKSJVHOPKCR-UHFFFAOYSA-N 411.285 4.753 0 40 HJAB COc1cccc(Nc2nnc(SCC(=O)N(CC(C)C)CC(C)C)s2)c1 3439373 YUTOGEMDONFVDR-UHFFFAOYSA-N 408.593 4.523 0 40 HJAB Cn1cc([C@@H]2c3ccccc3C(=O)N2CC(=O)Nc2ccc(F)cc2)c2ccccc21 4734645 BEWCLQFVYXTSRC-DEOSSOPVSA-N 413.452 4.501 0 40 HJAB Cc1oc2cc3oc(=O)c(CC(=O)NCCc4ccccc4F)c(C)c3cc2c1C 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CC(C)Oc1cccc(CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 10543291 ZQERETXUTUJYGZ-UHFFFAOYSA-N 416.370 4.833 0 40 HJAB Cc1csc(N(C(=O)CSc2nnc(C3CC3)n2C2CC2)c2ccccc2)n1 12805733 VJIWHIGHXDAZFU-UHFFFAOYSA-N 411.556 4.712 0 40 HJAB CCCNC(=O)c1ccccc1NC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C 12857387 LTRWOHMAKMVJID-UHFFFAOYSA-N 424.570 4.998 0 40 HJAB C[C@@H](OC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2)C(=O)c1cccc(Cl)c1 12980040 AIIVOLOARVUSGT-KTRBRXNASA-N 421.276 4.983 0 40 HJAB COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)C2CCCCC2)cc1 13715021 OTMFOGNWPUBPRP-UHFFFAOYSA-N 404.510 4.959 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3F)[C@H]2C(=O)N1c1ccccc1Cl 13811168 XFHQPKHHKCFCDY-NJDAHSKKSA-N 422.843 4.530 0 40 HJAB CC(C)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 15396850 JLSLFYYRXOCERT-UHFFFAOYSA-N 408.523 4.644 0 40 HJAB O=C(NCc1cccs1)c1cc(C2CCN(Cc3ccccc3Cl)CC2)no1 19348899 WBKIEYBQFOZAPO-UHFFFAOYSA-N 415.946 4.699 0 40 HJAB Cc1nc([C@@H]2CCN(Cc3ccccc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19753208 WKAIHQIWLPZFJI-GOSISDBHSA-N 406.917 4.680 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1cccc2ccccc12 20061737 UZYKSFQBUDGCBU-UHFFFAOYSA-N 422.550 4.821 0 40 HJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(I)cc1 20450279 TWHNRXMXCAMZLR-INIZCTEOSA-N 409.267 4.704 0 40 HJAB CCOc1ccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1OCC 20492492 PGMDAXIHDNAWMG-UHFFFAOYSA-N 410.558 4.646 0 40 HJAB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1cccc(C)c1 20802771 XBUSCVSGKCGURT-VXKWHMMOSA-N 419.525 4.506 0 40 HJAB O=C(Nc1cccc2ccccc12)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 22357897 JPKZFHJIMOHXKF-UHFFFAOYSA-N 414.431 4.998 0 40 HJAB CN1C(=O)C(C)(C)COc2cc(NC(=O)NCc3cccc4ccccc34)ccc21 22508325 COFCDNFEMGZBCJ-UHFFFAOYSA-N 403.482 4.543 0 40 HJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(I)cc1 22532065 MHKNQQVAKINHSA-INIZCTEOSA-N 409.267 4.704 0 40 HJAB CCCN(CC(=O)Nc1ccccc1C)C(=O)COc1c(Cl)cccc1Cl 23080075 WYHSODMECFAUQI-UHFFFAOYSA-N 409.313 4.558 0 40 HJAB CC(C)Cc1ccc([C@H](C)NC(=O)CSc2nnc(-c3cccs3)o2)cc1 23643176 FHUCGBAHCABACG-AWEZNQCLSA-N 401.557 4.966 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)CCc2cnn(-c3ccccc3)c2)cc1 24392319 IYQJUWXDPWJJQY-DEOSSOPVSA-N 403.526 4.957 0 40 HJAB O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)Nc1ccc(F)cc1F 27920975 XKHNZDUOCFMROM-UHFFFAOYSA-N 407.218 4.616 0 40 HJAB C[C@@H](Oc1ccccc1Br)C(=O)NCc1ccccc1C(F)(F)F 27974869 LASASRXBQFHDQM-LLVKDONJSA-N 402.210 4.552 0 40 HJAB CCOc1ccc(-c2nc(CS[C@H](C)C(=O)Nc3cc(C)on3)cs2)cc1 31412746 JQSXKUYSVQQHII-CYBMUJFWSA-N 403.529 4.766 0 40 HJAB O=C(CSCc1cc(=O)c2cccc(F)c2[nH]1)Nc1cccc(C(F)(F)F)c1 33063840 UFJOZYDCGWBOST-UHFFFAOYSA-N 410.392 4.558 0 40 HJAB COC(=O)c1cn(CC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)c2ccccc12 36391085 LAUGLXWLBDDUBZ-QFIPXVFZSA-N 420.509 4.580 0 40 HJAB COc1ccc(CNC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1OC 36617583 AISOEIRRWOIGSJ-UHFFFAOYSA-N 410.520 4.972 0 40 HJAB CCOc1ccccc1CN(CCCn1ccnc1)C(=O)Nc1ccc(F)c(F)c1 40097603 SPUNRUFGMPFXIL-UHFFFAOYSA-N 414.456 4.684 0 40 HJAB Cc1occc1C(=O)Nc1nc(CC(=O)N(C)Cc2ccc3ccccc3c2)cs1 40132760 REHUIXWZOYKGGN-UHFFFAOYSA-N 419.506 4.651 0 40 HJAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@H]1COc2ccccc2O1 44869949 MGQIREDDPOVZLX-LBPRGKRZSA-N 419.264 4.527 0 40 HJAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1C 48364154 XNPXYHYRSZPTOK-KRWDZBQOSA-N 407.297 4.554 0 40 HJAB COc1ccc(-c2nc(CSCC(=O)NC3CCCCCC3)cs2)cc1OC 48367754 AMDXECUIKAKPGL-UHFFFAOYSA-N 420.600 4.900 0 40 HJAB COc1ccc(-c2cc3c(=O)n(Cc4ccc(C(C)(C)C)cc4)ccn3n2)cc1OC 67260803 JROKWRKFQDLWDO-UHFFFAOYSA-N 417.509 4.526 0 40 HJAB Cc1nc(NCCc2ccccc2)sc1C(=O)NCc1ccc(F)c(Cl)c1 71326495 HFCKDKCWPUJLKF-UHFFFAOYSA-N 403.910 4.829 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)cc1 72357969 SDSXGFZCFVVBJB-DEOSSOPVSA-N 404.485 4.726 0 40 HJAB CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 72358393 KCCFYZKBIAIPJM-FQEVSTJZSA-N 404.489 4.621 0 40 HJAB O=C(CCC1CCCCC1)N1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 96155790 INFUWRBIUMHYRN-UHFFFAOYSA-N 417.557 4.858 0 40 HJAB COc1cccc(N[C@H]2COC3(CCN(Cc4ccc(Cl)c(F)c4)CC3)C2)c1 96221484 ZZJCFSWPNLPCOJ-GOSISDBHSA-N 404.913 4.723 0 40 HJAB COc1ccc2c(c1OC)C(=O)[C@@H](C(=O)c1ccccc1)[C@H]2CC(=O)c1ccccc1 101571482 NVRNWOFZPFEZRX-SIKLNZKXSA-N 414.457 4.756 0 40 HJAB Cc1nn(C)c(C)c1/C=C1/C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O 118916013 RPEZSVJLASPKQK-QRNFQGIZSA-N 410.602 4.715 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219612609 BVVNYSTWAIIGFL-MOPGFXCFSA-N 403.906 4.925 0 40 HJAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NC(C)C)cc1 222938754 BNBFBCDUXWCZQA-XMMPIXPASA-N 408.586 4.556 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 222988799 MVSQJJAMTDWBML-SFHVURJKSA-N 400.950 4.606 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 223055555 HKFUHYIKZMLXRM-DEOSSOPVSA-N 402.538 4.634 0 40 HJAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223355157 IDJNOBIIQLCLGO-XZOQPEGZSA-N 414.534 4.946 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C(C)C 223532221 WQVZSPLDMJPPLA-YADHBBJMSA-N 405.571 4.649 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 223673820 AYYUUJCXMMJKTM-SFHVURJKSA-N 408.523 4.595 0 40 HJAB Cc1ccc(CN(C(=O)CCSc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 223808046 JUQXEOFHOXHRAK-HXUWFJFHSA-N 424.610 4.953 0 40 HJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(CN2CCCC2)c1 224624676 DJQABONKMUGKPO-VWLOTQADSA-N 402.538 4.909 0 40 HJAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cn3nc(C)cc3C)cc1)CC(C)(C)O2 225292529 LDCVALYKBSGRDL-QFIPXVFZSA-N 403.526 4.889 0 40 HJAB CCOc1ccc(NC(=S)NC2(c3ccc(OC)c(OC)c3)CCCC2)cc1 225848360 WCYNBYGGHGBJGR-UHFFFAOYSA-N 400.544 4.858 0 40 HJAB CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OCC)c2)CCCCC1 225851612 RCVUSAPWBFZYCE-UHFFFAOYSA-N 405.535 4.966 0 40 HJAB Cc1ccc(CNC(=S)Nc2nc(N3CCCCCC3)cc(C(F)(F)F)n2)cc1 225946379 ABGLGHGUTUENQP-UHFFFAOYSA-N 423.508 4.671 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)n(C)n1 257228923 FVXADCOJSNVQQW-LJQANCHMSA-N 412.921 4.753 0 40 HJAB CCN(c1ccc(C(=O)N[C@H](C)c2ccccc2C)cc1)S(=O)(=O)c1ccccc1 260561452 FLMLYMBYBVLXTB-LJQANCHMSA-N 422.550 4.701 0 40 HJAB CCOc1ccc(N2C[C@@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)cc1 408672679 VVOSDNXPYIDPFI-FQEVSTJZSA-N 401.462 4.711 0 40 HJAB O=C(Nc1ccccc1F)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 408999829 SJMHIOBDCUNCIK-JOCHJYFZSA-N 404.441 4.528 0 40 HJAB Cc1ccc(NC(=O)CNC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)c(Cl)c1 536685964 QKDSAXPSOBCCGK-UHFFFAOYSA-N 409.795 4.517 0 40 HJAB CC(C)(C)Cc1nc(-c2ccc(-c3nc(-c4ccc5nc(O)[nH]c5c4)no3)cc2)no1 547151435 SQLQBJHQWXIKAK-UHFFFAOYSA-N 416.441 4.624 0 40 HJAB O=Cc1ncc(Br)cc1OCc1ccc(Br)c(Cl)c1 1641461671 LTVFMZPEMKEMPQ-UHFFFAOYSA-N 405.473 4.652 0 40 HJAB CCc1cc2c(N[C@H](CC)[C@@H]3CN(Cc4ccccc4)CCO3)nc(C)nc2s1 1642390046 AABULIVWOUSRKP-RTWAWAEBSA-N 410.587 4.654 0 40 HJAB CC(C)(C)c1ccc(CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)o2)cc1 1329752 JWIXIGGLEDFJAO-UHFFFAOYSA-N 417.556 4.698 0 40 HJAB CCCCCCOC(=O)c1c(N)n(-c2ccc(O)cc2)c2nc3ccccc3nc12 1874922 FAOPXAWQKWXFNO-UHFFFAOYSA-N 404.470 4.599 0 40 HJAB O=c1/c(=C\c2ccc(-c3ccccc3)cc2)sc2nnc(-c3ccccc3Cl)n12 2393450 LEFSYBFVRMJEGO-XSFVSMFZSA-N 415.905 4.686 0 40 HJAB CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2441626 FCVXSZSWVZBBFO-HRAATJIYSA-N 421.518 4.548 0 40 HJAB C[C@@H](OC(=O)c1ccc(Cl)cc1N)C(=O)Nc1ccc(Oc2ccccc2)cc1 2634577 QMOOXZOPUBBDIA-CQSZACIVSA-N 410.857 4.899 0 40 HJAB O=C(Nc1ccc(Br)cc1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 3068255 YHYQEUBMJWUUHE-HKWRFOASSA-N 421.294 4.859 0 40 HJAB COc1ccccc1C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 3291968 XHQZTVJCFIZGIH-UHFFFAOYSA-N 407.520 4.979 0 40 HJAB O=C(CCSc1ccc(F)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3421334 FYJFPKVQDASNQN-UHFFFAOYSA-N 410.518 4.932 0 40 HJAB O=C(NCCc1cccc(F)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 3816438 KWSKZYNWERNVKZ-UHFFFAOYSA-N 411.786 4.656 0 40 HJAB COc1cc(Cl)ccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 4269998 OTBVUIZXLIEZPR-UHFFFAOYSA-N 401.915 4.740 0 40 HJAB CCN(CC)c1ccc2cc(C(=O)NCc3cccc4ccccc34)c(=O)oc2c1 4930581 XYRCTTDBVOAFGK-UHFFFAOYSA-N 400.478 4.722 0 40 HJAB CC(C)N(C(=O)CSc1nnc([C@@H](C)Oc2ccccc2F)o1)c1ccccc1 4938116 STEQXFTXKZJJOB-OAHLLOKOSA-N 415.490 4.882 0 40 HJAB Cc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(C)n1C1CC1 5396754 IQKYVHSXIWQWAJ-UHFFFAOYSA-N 412.584 4.994 0 40 HJAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(C)ccc1C 5477594 RHEAUAYPGKICKF-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB CN(C)C(=O)COC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 6544166 RUIXCHUNACJUFF-UHFFFAOYSA-N 403.887 4.624 0 40 HJAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3n2CCc2ccccc2)C1 6566853 AFGUNWJQHNEXCI-RTBURBONSA-N 407.583 4.876 0 40 HJAB O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCN(c2ccccc2)CC1 6896789 JUDQNPVYSBYTFZ-UHFFFAOYSA-N 408.505 4.502 0 40 HJAB O=C(NC[C@@H](c1cccs1)N1CCCC1)C1c2ccccc2Oc2ccccc21 7687010 QOQQNGWLXTUOQD-IBGZPJMESA-N 404.535 4.939 0 40 HJAB COC(=O)[C@@H](C)Sc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 8893343 HDGUNRHCGOSLEX-GFCCVEGCSA-N 424.364 4.866 0 40 HJAB O=C(NCCSCc1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1 9063284 HZMSZQUADCOQMB-UHFFFAOYSA-N 402.991 4.602 0 40 HJAB O=C(CSc1nnc(-c2cccnc2)o1)c1ccc([C@@H]2CC2(Cl)Cl)cc1 9145898 BURXVIDDCOXIOW-AWEZNQCLSA-N 406.294 4.768 0 40 HJAB O=C(NC1CC1)c1ccccc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 9254013 TZRKTWLIRHAYRV-UHFFFAOYSA-N 422.488 4.684 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2C)cc1 10315018 AVRYMKPYOGYJDO-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(NC(=O)c2ccco2)cc1 11145049 HVWBYXMZZWIRNA-UHFFFAOYSA-N 401.466 4.652 0 40 HJAB C[C@H](C(=O)Nc1ccc(C2CCCCC2)cc1)n1nc(-c2cccs2)cc(N)c1=O 12181595 VBNTXKZEOMMGMD-OAHLLOKOSA-N 422.554 4.801 0 40 HJAB CS(=O)(=O)Nc1cccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 12536302 DPOLZHBLQXEHCZ-FQEVSTJZSA-N 412.536 4.530 0 40 HJAB COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3C[C@@H](C)C[C@@H](C)C3)c2c1 12719950 WXAMSEBJRSWLNO-CALCHBBNSA-N 410.539 4.559 0 40 HJAB C[C@@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)c(Cl)c1 12763132 ORCOHFZKWKYQDI-GFCCVEGCSA-N 406.313 4.902 0 40 HJAB COc1ccccc1-n1cnnc1S[C@H](C(=O)Nc1ccccc1)c1ccccc1 12939887 IBUFRMNGQLOGLL-NRFANRHFSA-N 416.506 4.748 0 40 HJAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)NCc1cccs1 13163874 SDDQBBLEPJZHOB-CYBMUJFWSA-N 423.567 4.620 0 40 HJAB Cc1cccc(NC(=O)[C@H](Sc2ncnc3nc[nH]c23)c2ccccc2)c1Cl 13572954 QWEVGQDRKBYEAQ-QGZVFWFLSA-N 409.902 4.787 0 40 HJAB CCCCCCOc1ccc(C(=O)NCc2cc(OC)c(OC)cc2OC)cc1 14184807 BNAJNVQNNUKZTQ-UHFFFAOYSA-N 401.503 4.602 0 40 HJAB CC(C)(C)c1nc(=S)n(CN(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)[nH]1 14214462 KWPFDDAILKYKLK-UHFFFAOYSA-N 418.954 4.564 0 40 HJAB CCc1cccc(C)c1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 15398228 VDBQZQUJNGKCKA-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB CC(C)N(C(=O)Cn1c(CN2CCCCCC2)nc2ccccc21)c1ccccc1 15831914 WABBVXXWVSBLCZ-UHFFFAOYSA-N 404.558 4.854 0 40 HJAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CCCc5ccccc54)cc3C2=O)c1 16022935 BURKKOXAPMJIHP-UHFFFAOYSA-N 410.473 4.697 0 40 HJAB COc1cccc(OC)c1C(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1Cl 17091988 IKLHQINWFSCACT-UHFFFAOYSA-N 419.717 4.791 0 40 HJAB CCCCCCNC(=S)NCCCCCCNC(=S)NCCCCCC 19074932 CUEZVUZKXGQOJE-UHFFFAOYSA-N 402.718 4.636 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c(C)c1 20453866 TXEMTOJCXVFYLB-IBGZPJMESA-N 422.550 4.620 0 40 HJAB Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1F 22006620 CFVKRYTYZSUDJU-UHFFFAOYSA-N 411.289 4.659 0 40 HJAB Oc1c([C@@H](c2ccc(Cl)cc2)N2CCCCC2)sc2nc(-c3ccco3)nn12 22851932 UHFWRUNIMGNOIM-MRXNPFEDSA-N 414.918 4.985 0 40 HJAB CCOc1cccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N3CCCC3)n2)c1 27643071 PIRMOUGEGVFFOQ-UHFFFAOYSA-N 404.518 4.975 0 40 HJAB Cc1c([C@@H](C)NC(=O)c2cc(C3CC3)on2)cnn1-c1cccc(C(F)(F)F)c1 29295353 CAFTUFNRMAJSOI-LLVKDONJSA-N 404.392 4.556 0 40 HJAB O=C(Nc1cccnc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 32071107 GXNKXMGCHIHLGB-QFIPXVFZSA-N 403.526 4.905 0 40 HJAB Cc1nc2c3ccccc3nc(SCc3nc(-c4ccc(Cl)cc4)no3)n2n1 32871548 PPLLENXTJXDTMZ-UHFFFAOYSA-N 408.874 4.582 0 40 HJAB Cc1c(Br)ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)c1C 36007154 QFCWVRAAUSWKHF-PELSAHOSSA-N 424.338 4.995 0 40 HJAB CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)NC1CCCCCC1 40143410 ASHOUJFXHDCWRX-UHFFFAOYSA-N 419.319 4.771 0 40 HJAB Cc1cc2nc(CSc3ccccc3NC(=O)Nc3ccc(F)cc3)cc(=O)n2o1 41089685 IVSDLHGIJNIXDT-UHFFFAOYSA-N 424.457 4.671 0 40 HJAB O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC[C@H]1c1ccccc1 44405244 NWHCTUBFAWHHAY-QHCPKHFHSA-N 405.519 4.638 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)NCCCn1ccc2ccccc21 48365593 OFLUZXHBSDTFOS-UHFFFAOYSA-N 420.538 4.754 0 40 HJAB Cc1ccc(/C=C/C(=O)OCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 51315266 WWVGTPOOFSFQRH-IZZDOVSWSA-N 404.344 4.700 0 40 HJAB COc1ccc2c(c1)c(C(=O)OCC(=O)Nc1c(C)cccc1C)c(C)n2C1CC1 53908753 BYYNWELOZDMVKF-UHFFFAOYSA-N 406.482 4.706 0 40 HJAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(Cl)c2)n1 67297932 SLUQJDZMNOPDFY-LVWGJNHUSA-N 405.841 4.980 0 40 HJAB Cc1oc(C(N)=O)cc1-c1csc(NC(=O)c2oc3ccc(Cl)cc3c2C)n1 78813309 WYSWFRHLGBDKFK-UHFFFAOYSA-N 415.858 4.771 0 40 HJAB C[C@]1(c2cccc(Cl)c2)NC(=O)N(Cc2cnoc2-c2ccc(Cl)cc2)C1=O 89917115 CUPPLDFELCJMOI-HXUWFJFHSA-N 416.264 4.616 0 40 HJAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccccc1SC[C@@H]1CCCO1 95393664 TWPOJSCMYQVWIO-INIZCTEOSA-N 402.903 4.616 0 40 HJAB NC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 95465137 QBIWZEGHVKJQOR-CVEARBPZSA-N 411.893 4.619 0 40 HJAB Cc1cccc(CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 95749062 ACGCQDJLKBTGTG-DEOSSOPVSA-N 415.489 4.920 0 40 HJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@@H]1c1ccc2c(c1)OCO2 107814305 ALHNWRDSNRLEAA-HXUWFJFHSA-N 410.495 4.533 0 40 HJAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 222818626 JNFUNQNSGWQQBZ-PMACEKPBSA-N 419.579 4.863 0 40 HJAB COCc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccccc1 223060869 ZJSVXTXKCIZWFG-XGHQBKJUSA-N 416.525 4.855 0 40 HJAB O=C(c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 223080773 UPXLBYOTGGTPMH-UHFFFAOYSA-N 414.480 4.617 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 224256737 CAWBHWXZNAKQGO-HSZRJFAPSA-N 424.585 4.615 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 224778710 LXUDUSWBOWEQDP-QGZVFWFLSA-N 418.990 4.766 0 40 HJAB CCOc1ccc(Nc2cc(C)nc(NC(=S)N[C@H](C)c3ccccc3)n2)cc1 225200141 QOEAQOMMFSAZMU-MRXNPFEDSA-N 407.543 4.975 0 40 HJAB Cc1ccc(CCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 225289319 MPKAUNIIXCHCOC-QJOMJCCJSA-N 418.562 4.885 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 225512082 RRWCUDYRCZZSDG-XUZZJYLKSA-N 424.585 4.876 0 40 HJAB COc1ccc([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 225523405 IJTDAYXAABTQCS-JVDNRXPZSA-N 420.534 4.713 0 40 HJAB COc1cc(OC)cc(-c2nc3cc(N4Cc5ccccc5C4=O)cc(C)c3o2)c1 226286673 FJFFIQJNRFAGKQ-UHFFFAOYSA-N 400.434 4.981 0 40 HJAB Cc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)[C@H]3Cc2ccccc2)s1 257287503 PQGMMKCLJOAQEH-CZLVRFMKSA-N 423.626 4.849 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCC3)ccc2C)c(C)c1 408546620 GBGUPRMKEZEOOD-UHFFFAOYSA-N 414.571 4.865 0 40 HJAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Cl)cc1C(F)(F)F 408618079 BVPVCSMWBHHLNN-UHFFFAOYSA-N 402.825 4.803 0 40 HJAB Cc1cccc(C2=N/C(=C/c3cccc(OC(=O)c4ccccc4F)c3)C(=O)O2)c1 408958633 ZPQZZMHCHSFDSO-KGENOOAVSA-N 401.393 4.698 0 40 HJAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 409157717 VPHGNGVSGGOFBG-UOEVCUDDSA-N 424.522 4.847 0 40 HJAB COc1cc(Cl)ccc1CNC(=O)N(C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 1678988113 BCFFVCCFMAWXHT-UXHICEINSA-N 402.922 4.736 0 40 HJAB c1ccc(C[C@H]2COC([C@@H]3CCCC[C@H]3C3=N[C@@H](Cc4ccccc4)CO3)=N2)cc1 1988188154 ZJYPXEDQJJGDPA-CJRSTVEYSA-N 402.538 4.873 0 40 HJAB Cc1cc(N)ccc1NC(=O)CSc1nnc(C2CCCCC2)n1-c1ccccc1 930559 RNXWAXVAKASRLR-UHFFFAOYSA-N 421.570 4.936 0 40 HJAB CCc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1 1379915 HMFVLNAWSSLYFH-JOCHJYFZSA-N 406.482 4.882 0 40 HJAB COc1ccc(CNCC[C@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1OC 1828793 LWMKARRJLDJYPV-OAQYLSRUSA-N 405.494 4.744 0 40 HJAB biogenic CCCCCSc1nnc2c(n1)O[C@@H](c1cccn1C)N(C(C)=O)c1ccccc1-2 2104005 DCFLNZQOTRZYAX-NRFANRHFSA-N 423.542 4.604 0 40 HJAB CC(=O)O[C@H]1C[C@H](C)N(C(=O)c2ccc(Br)cc2)c2ccc(C)cc21 2272655 AULWGLLOQORMQI-DJJJIMSYSA-N 402.288 4.801 0 40 HJAB CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)c(C)c(C)c2cc1Cl 2376133 CNVSHDXZPRQMMN-HNNXBMFYSA-N 423.893 4.662 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(CCCOC(C)C)C3=O 2413974 NFTRZWUCTGVKKU-NRFANRHFSA-N 409.457 4.601 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)c1 2483563 CKCIUVHKLNQBRN-UHFFFAOYSA-N 409.511 4.505 0 40 HJAB CCOc1ccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1OCC 4512726 MCFBEUNTQUEPGX-UHFFFAOYSA-N 423.513 4.893 0 40 HJAB CC(=O)N1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccccc3Cl)=NN12 5477951 LYNRGLALGIJLOM-OAQYLSRUSA-N 409.917 4.531 0 40 HJAB O=C(CSc1nnc(-c2ccco2)o1)Nc1cc(C(F)(F)F)ccc1Cl 6322506 GPHXZDBOZXZMLN-UHFFFAOYSA-N 403.769 4.733 0 40 HJAB CC(C)N(C(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)C(C)C 7122485 XDBVIDFSFDWJLH-UHFFFAOYSA-N 419.547 4.528 0 40 HJAB C[C@H](NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21 7547033 RLYAQZROVKOBFV-LAUBAEHRSA-N 415.562 4.929 0 40 HJAB CCN(CC)c1ccc(-c2nnc(SCC(=O)c3ccc(F)c(F)c3)o2)cc1 8394719 QHDKANYOOUYYCT-UHFFFAOYSA-N 403.454 4.836 0 40 HJAB C[C@H](NC(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 9125738 SBKJAUAVTRUENV-NSHDSACASA-N 419.321 4.758 0 40 HJAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(-c2cn3ccsc3n2)cc1 9337058 JPZICNWZIBWTTQ-SFHVURJKSA-N 420.519 4.504 0 40 HJAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc(Nc2ccccc2)s1 9602819 LWISVKRLUAJFFP-UHFFFAOYSA-N 424.507 4.961 0 40 HJAB FC(F)(F)c1cccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c1 10213559 OLUBUHBKEQSBLK-UHFFFAOYSA-N 400.408 4.978 0 40 HJAB Cc1cccc(CS(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c1 12180558 OLGRAMCBUXPUHE-UHFFFAOYSA-N 420.534 4.530 0 40 HJAB CC(C)[C@@H](NC(=O)N[C@H](C)c1ccc(F)c(F)c1)c1ccc2c(c1)OCCCO2 12749600 CCZIMTVVAKDYSA-SPLOXXLWSA-N 404.457 4.884 0 40 HJAB Cc1ccc(Cl)c(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c1Cl 12756453 POVGLQHSNBCREW-CQSZACIVSA-N 413.370 4.983 0 40 HJAB Cc1ccc(Oc2ccccc2NC(=O)Cn2cccc(C(F)(F)F)c2=O)cc1 12848879 SZXOVKHXNVCNPL-UHFFFAOYSA-N 402.372 4.607 0 40 HJAB Cc1cc(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)c(C)o1 14389946 VWHUBYKMQVJIGD-UHFFFAOYSA-N 424.522 4.658 0 40 HJAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(COc2ccccc2)o1 14707780 BABRZRRIOZBSFI-UHFFFAOYSA-N 412.873 4.601 0 40 HJAB COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4cccnc4)cc3c2C)c1 15729493 GEFLKGAXPIVJNY-UHFFFAOYSA-N 416.433 4.637 0 40 HJAB biogenic C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@@H](C(F)(F)F)C1 16591235 DQZANKNRDMSXIM-NXEZZACHSA-N 402.766 4.960 0 40 HJAB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4ccccc4)ccc3O)nc2c1 17091087 OJNZLMSLWKBCQS-UHFFFAOYSA-N 417.490 4.944 0 40 HJAB CCOc1ccc(NC(=O)CN2C(=O)C[C@H](c3ccco3)Sc3ccccc32)cc1 17307832 CMDRWPZARZZCGJ-OAQYLSRUSA-N 422.506 4.887 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc(=O)c2ccccc2o1 18120467 GUZDESGNFYGAMO-UHFFFAOYSA-N 402.372 4.664 0 40 HJAB Cc1ccccc1CC(=O)N1CCC[C@@H](c2nnc(-c3nccc4ccccc34)o2)C1 19237053 XWRFSNRSGMGURY-HXUWFJFHSA-N 412.493 4.542 0 40 HJAB O=C(c1ccc(F)cc1F)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 19293053 YURJHBSPYCZCMK-UHFFFAOYSA-N 420.463 4.714 0 40 HJAB CNc1cc([C@H]2CCCN(Cc3cccc4ncccc34)C2)nc(-c2ccncc2)n1 19592281 CMECGYQXJOWFFU-FQEVSTJZSA-N 410.525 4.508 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@@H](c3ccc(Cc4ccccc4)cn3)C2)c1 19688161 DFIZLEQBRZMBNX-HSZRJFAPSA-N 400.522 4.630 0 40 HJAB COc1cccc(CC(=O)N2CCC(c3ccc(Cc4ccccc4C)cn3)CC2)c1 19690258 DJZUKTHXTZLONK-UHFFFAOYSA-N 414.549 4.938 0 40 HJAB COc1ccccc1OCc1cc([C@H]2CCN(C/C(C)=C/c3ccccc3)C2)n[nH]1 19704718 ZYRDIXIJUGOKEU-CURYZJDOSA-N 403.526 4.890 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2cccc(OC)c2)sc2c1CCCC2 20492863 QMKOOKIANSULGC-QGZVFWFLSA-N 417.527 4.608 0 40 HJAB O=S(=O)(NCCSCc1ccccc1F)c1ccc(Oc2ccccc2)cc1 20493026 ZUBDAAFQBAHZKQ-UHFFFAOYSA-N 417.527 4.830 0 40 HJAB CC(C)COc1cccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 20610408 WJQWVRFXCKURHY-UHFFFAOYSA-N 404.445 4.847 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(NC(C)(C)C)s2)c(Br)c1 21762630 LKXALBDKKSRMKJ-UHFFFAOYSA-N 415.382 4.550 0 40 HJAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 21805445 QYTYDIKPEWFFOH-KRWDZBQOSA-N 401.919 4.623 0 40 HJAB CCn1cc(C(=O)N[C@@H](C)c2ccccc2OC)c(=O)c2cc(C(F)(F)F)ccc21 22237034 TXTGYPJEUOQEGR-ZDUSSCGKSA-N 418.415 4.540 0 40 HJAB Cc1ccc(S(=O)(=O)c2ccc(CSc3nccc(C(F)(F)F)n3)cc2)cc1 32331699 ZYZGJLUSFGQWMK-UHFFFAOYSA-N 424.469 4.929 0 40 HJAB C[C@@H](NC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1cc2ccccc2o1 32817879 KOHJMJPTGBRMQR-OAHLLOKOSA-N 404.422 4.534 0 40 HJAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 32900364 OQMKYFBJUVEWMZ-OAQYLSRUSA-N 418.493 4.718 0 40 HJAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 32978406 LXZGZRNLLNWZOX-UTKZUKDTSA-N 404.535 4.897 0 40 HJAB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 33322364 GHEIGFYMIYKKMS-UHFFFAOYSA-N 409.405 4.863 0 40 HJAB COc1ccc(Nc2ccccc2C(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 36391155 MVRYODBQZSRZMU-UHFFFAOYSA-N 423.900 4.803 0 40 HJAB C[C@H](NC(=O)CCOc1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 40074053 UWKPRWIRFQEJDL-ZDUSSCGKSA-N 421.324 4.988 0 40 HJAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccccc1CN(C)C1CCCCC1 57984510 KHQBVADKQQLJIE-OAQYLSRUSA-N 423.557 4.755 0 40 HJAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2NC(=O)c2cccs2)cc1 58439779 FZUKVSYXYGNALY-HNNXBMFYSA-N 422.506 4.747 0 40 HJAB CCn1ccnc1CN1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359822 YQXZTADTPFTNIY-KRWDZBQOSA-N 415.463 4.758 0 40 HJAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@H]3c3cccc(Nc4nc(C)cs4)n3)c2c1 72375900 YVILCTCTHFTNBA-SFHVURJKSA-N 418.526 4.752 0 40 HJAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2ccc(C)o2)cc1 85876614 MZWXYPTZWUBPFG-HNNXBMFYSA-N 418.401 4.517 0 40 HJAB biogenic COc1ccccc1[C@H](CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OC 96384762 AFARZGKVFWGDRS-INIZCTEOSA-N 421.337 4.850 0 40 HJAB O=C(c1cc(Cl)ccn1)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 96867754 PJGLMHGIDSGRNK-DAXSKMNVSA-N 406.869 4.866 0 40 HJAB O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(Br)c(C(F)(F)F)c1 98072949 QVMZNRDDCOVNFQ-UHFFFAOYSA-N 416.165 4.547 0 40 HJAB Cc1cc(=O)n2c(n1)NC(Nc1ccc(C)c(C)c1)=N[C@H]2c1ccc(C(C)C)cc1 105330300 WKLLZDCXWMQOHT-JOCHJYFZSA-N 401.514 4.732 0 40 HJAB COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 107614998 UWXLRLSQZBBOGQ-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 223878194 POPMLEJYUYSWHW-GOTSBHOMSA-N 412.518 4.755 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 225137929 CQVYQRHBJOYFME-KRWDZBQOSA-N 418.990 4.766 0 40 HJAB COc1ccc(C(=O)N2CCS/C2=C/c2csc(NCc3ccccc3)n2)cc1 225255677 LVSQGBZOOCXOIS-DEDYPNTBSA-N 423.563 4.951 0 40 HJAB CC[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1 225378962 PWVLVVXPXWSYRD-SFHVURJKSA-N 414.354 4.597 0 40 HJAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC2)cc1 225695977 OIGCXOJFQLBAJJ-UHFFFAOYSA-N 404.595 4.967 0 40 HJAB Nc1nnc(/C=C/c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)o1 226341842 BFRSNGPWFRTGHL-AATRIKPKSA-N 424.657 4.956 0 40 HJAB Cc1c(Br)ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@@H]3C2=O)c1C 227626349 QFCWVRAAUSWKHF-VKBFCKQYSA-N 424.338 4.995 0 40 HJAB C[C@]12CC[C@@H]3[C@H](C(=O)C[C@@H]4C[C@](O)(C(Cl)(Cl)Cl)CC[C@@]43C)[C@H]1CCC2=O 245240384 PRKJWXBURFOVQU-AQCUXKABSA-N 421.792 4.879 0 40 HJAB C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(Cc3ccncc3)[C@H]1CCCCC(=O)N2 257254138 KBUSXULETOVHQN-ONTIZHBOSA-N 417.475 4.865 0 40 HJAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3C[C@@H]3C)CC2)on1 257340524 ZGODBYAMLAUZPF-DKIMLUQUSA-N 410.562 4.784 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(C)C)C2=O)cc1 408599502 HZXPHGOGTIMYOE-UDWIEESQSA-N 424.522 4.705 0 40 HJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(C(=O)Nc3ccc(Cl)cc3)cc1)C2=O 408722346 SOBJDYPBCHIQQE-FDDCHVKYSA-N 410.901 4.908 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cc(C)cc(C)c2)cc1 409173461 NOKKOLDDYITVQC-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 537371899 UUFOTIARZLJAMA-UVBJJODRSA-N 424.444 4.687 0 40 HJAB O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)NCc1cccs1 883885 ZPXUXISKYLODOU-UHFFFAOYSA-N 409.458 4.632 0 40 HJAB CCOc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2ccc(C)cc2)S3)cc1OCC 952719 DNFPKRQLIKIQKR-LJQANCHMSA-N 409.511 4.928 0 40 HJAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1ccco1)c1ccc(F)cc1 1380206 VVJVNZAXPRWJRX-QFIPXVFZSA-N 406.457 4.866 0 40 HJAB COc1ccc([C@@H]2CC(=O)c3ccccc3O2)cc1COc1ccc(NC(C)=O)cc1 2134218 YFLTXNDZGXSPKY-VWLOTQADSA-N 417.461 4.939 0 40 HJAB biogenic CC[C@H](C)COC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc12 2193456 OBCMHJMLDKZIFH-HNNXBMFYSA-N 402.498 4.726 0 40 HJAB Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(-c3ccccc3Cl)cc2n(C)c1=O 2368385 GPFJHELOOHWHSG-UHFFFAOYSA-N 421.928 4.646 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)c2ccccc2F)nnc1-c1ccncc1 3322060 GZRRRAOPYMYIKU-UHFFFAOYSA-N 404.470 4.752 0 40 HJAB Cc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)cc2)c2ccc(C)cc2)cc1 3529795 GRQDXNYUENOHEV-UHFFFAOYSA-N 401.510 4.696 0 40 HJAB C[C@H](CCc1ccccc1)NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 3605419 NYPJNSDGYYVXNI-OAHLLOKOSA-N 415.609 4.893 0 40 HJAB CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccco3)C[C@H]21 4715680 NSHDOYBCZMSNMP-AUSIDOKSSA-N 418.449 4.707 0 40 HJAB Cc1c(CC(=O)N2CCCC2)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 4744415 CFJRDFJEURTIDF-UHFFFAOYSA-N 405.425 4.819 0 40 HJAB Cc1cccc(C)c1OCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 6752566 VHZHSYZNQGDFMM-UHFFFAOYSA-N 419.569 4.971 0 40 HJAB aggregator Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)NCc3ccco3)c12 6902431 LAEHJVYXFLTJHV-UHFFFAOYSA-N 408.461 4.919 0 40 HJAB Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4)C3=O)cs2)cc1 7989140 QZFRLTCWJFZCMQ-NRFANRHFSA-N 411.914 4.739 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1[C@H](C)Oc1ccccc1 8090215 LZQGZNPKUNXXKY-KRWDZBQOSA-N 410.543 4.786 0 40 HJAB CCn1c(OCc2cccc(C)c2)c2n(c1=S)Cc1cc(OC)c(OC)cc1C2 9482377 BIWLEAUDTBAJGS-UHFFFAOYSA-N 410.539 4.896 0 40 HJAB CSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 10314589 JKVKAEJZAQECII-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB Cc1nc2cc(C(=O)OCc3nnc(-c4cccs4)o3)ccc2n1-c1ccccc1 10992642 PYEJSAZZGZYZOK-UHFFFAOYSA-N 416.462 4.802 0 40 HJAB Cc1ccc(-c2ccccc2CC2(C(=O)NC[C@@H]3CCCOC3)CCOCC2)c(C)c1 12231642 STLHWGPQFTUIJT-QFIPXVFZSA-N 421.581 4.853 0 40 HJAB Cc1cc(OCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c(C(C)C)cc1Cl 12785917 WOVOJFMZVPPYFX-MRXNPFEDSA-N 412.921 4.609 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 13146193 WUYDSWZNSUUALY-UHFFFAOYSA-N 424.884 4.818 0 40 HJAB CCn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccccc1 14075059 AVKQICZFSYDCCM-FQEVSTJZSA-N 406.555 4.811 0 40 HJAB COc1cc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc(OC)c1OC 15190521 ZJAHTMRZHDYLOC-UHFFFAOYSA-N 404.875 4.742 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 15960947 CORPXGZVFNLFRB-UHFFFAOYSA-N 414.571 4.628 0 40 HJAB CCc1ccccc1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 16162477 UHMVIYIUTUWYRT-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB COC(=O)c1c(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)sc2c1CCCC2 16740202 AGCOSZDMORJRDW-UHFFFAOYSA-N 415.511 4.722 0 40 HJAB Cc1cc2oc(=O)cc(CSc3nnc([C@H]4COc5ccccc5O4)o3)c2cc1C 17659009 DPSGDKJBOZRBRP-LJQANCHMSA-N 422.462 4.598 0 40 HJAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)c2ccccc2)n1 19690444 FMWRANBIBQMHFD-FQEVSTJZSA-N 406.917 4.840 0 40 HJAB O=C1CCCC[C@@H]2[C@H](CCN2Cc2ccnc3ccccc23)N1Cc1ccccc1F 19713095 DTAORPULLJJZGQ-RPBOFIJWSA-N 417.528 4.920 0 40 HJAB COc1ccc(NC(C)=O)cc1NC(=O)c1sc2nc(-c3ccccc3)cn2c1C 20280079 LCXDBFHLWFXDEG-UHFFFAOYSA-N 420.494 4.591 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3n2)cc1Cl 20610726 GZOAXZMBPRFFCU-UHFFFAOYSA-N 413.264 4.988 0 40 HJAB CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)c1 25053621 FBIJGLXFLAPNDR-UHFFFAOYSA-N 410.905 4.822 0 40 HJAB N[C@H](Sc1nc(=O)n(Cc2ccccc2)c2c1CCC2)c1cccc2ccccc12 27994066 CFVKCJMCLLFIHA-HSZRJFAPSA-N 413.546 4.683 0 40 HJAB Cc1ncc(NC(=O)[C@H](C)Oc2ccccc2)n1-c1nc(-c2ccc(F)cc2)cs1 32615872 WXRLCNUTVOIGAR-AWEZNQCLSA-N 422.485 4.849 0 40 HJAB O=C(Nc1ccc(F)c(NC(=O)c2cc3ccccc3o2)c1)c1ccc2c(c1)OCO2 32796344 QRBCEZFHBZVZAS-UHFFFAOYSA-N 418.380 4.805 0 40 HJAB COc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3cccc(C)c3)no2)cc1 33324996 AVETTWXJZSECSF-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1S(C)(=O)=O 48374752 JAQZNXXLXQVKBM-UHFFFAOYSA-N 403.519 4.513 0 40 HJAB CC(=O)Nc1cccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc23)c1 49005314 SWNIRMGAPMFESC-MRXNPFEDSA-N 417.513 4.655 0 40 HJAB COc1ccccc1-c1c(C)oc2c3c(ccc2c1=O)OCN(Cc1ccco1)C3 54313302 IFFAOZFOLXSMKU-UHFFFAOYSA-N 403.434 4.722 0 40 HJAB C[C@H](NC(=O)c1ccnc(Oc2ccccc2)c1)c1ccc(NC(=O)C2CC2)cc1 58179495 NBBNGIIZIMBHLY-INIZCTEOSA-N 401.466 4.713 0 40 HJAB Cc1nc([C@@H]2CCCCN2Cc2ccccc2)ncc1C(=O)NCc1ccc(F)cc1 72345453 LIYPWFYWYFOPLW-QHCPKHFHSA-N 418.516 4.581 0 40 HJAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1cccc(O)c1 80348312 JZXFKOZAZFGLGV-UHFFFAOYSA-N 411.430 4.660 0 40 HJAB O=C(CSc1ccc(F)cc1)NCCn1nc(-c2cccs2)cc1C1CC1 96121607 WTCDJMDZITUZKK-UHFFFAOYSA-N 401.532 4.537 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccc1F 107904076 QXENHZFHBADPEN-UHFFFAOYSA-N 404.898 4.797 0 40 HJAB CCCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 113627392 WJDXQKPCBGSKTQ-QGZVFWFLSA-N 402.903 4.503 0 40 HJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C(=O)O)cc3)N21 222709098 LZYVFQPTGVJUOK-ZLGUVYLKSA-N 418.522 4.550 0 40 HJAB C[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 222733869 USMOKQUGYDVCRX-GFCCVEGCSA-N 412.338 4.875 0 40 HJAB C[C@H]1Cc2cc(Br)cc3c(=O)c(C(=O)Nc4cccc(Cl)c4)cn1c23 223104109 GTVOPGUPJPXYGB-JTQLQIEISA-N 417.690 4.787 0 40 HJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCC1(c2ccccc2)CCOCC1 223259289 KELSTUSZOQEPSN-HSZRJFAPSA-N 403.522 4.862 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1cccnc1 223479333 ACOAHSATCUWAGL-GOTSBHOMSA-N 417.582 4.956 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(CC)cc1 223834910 GKYJIZLXPNOATF-GOSISDBHSA-N 414.977 4.779 0 40 HJAB O=C(NCCc1ccc(F)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 224542732 ROVMPASDYFIXKM-UHFFFAOYSA-N 409.332 4.703 0 40 HJAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 224610922 ODFVBHZEKMFNMR-XZOQPEGZSA-N 412.518 4.755 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)NCC(C)C)cc1 224621313 YLLWQDYYZQNNJK-DEOSSOPVSA-N 424.585 4.516 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 224633380 RIGRYZJXMBYAJS-KRWDZBQOSA-N 418.990 4.766 0 40 HJAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc(N2CCCC2)cc1 224919243 OQFJFIPPEQVSOP-UHFFFAOYSA-N 409.711 4.720 0 40 HJAB Cc1cc(OCC(=O)NCc2cccc(C(F)(F)F)c2)cc(C)c1Br 225004485 QCRIVUBDZXKQBU-UHFFFAOYSA-N 416.237 4.780 0 40 HJAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)C1c2ccccc2Oc2ccccc21 238958043 YDXXHIDRIFJVBJ-DEOSSOPVSA-N 417.486 4.631 0 40 HJAB CCOc1ccccc1-c1nnc(Sc2oc(C=O)cc2Br)n1CC 408556999 MJPDNZRJSGMDTP-UHFFFAOYSA-N 422.304 4.683 0 40 HJAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2c(CC)cccc2CC)ccc1OCC 408588722 YBXMOPNUBGXDPW-UHFFFAOYSA-N 420.531 4.579 0 40 HJAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc3ccccc23)cc1Cl 408662512 JGPVZIGSVRVREJ-UHFFFAOYSA-N 424.884 4.702 0 40 HJAB O=C(NCCc1nc2ccccc2[nH]1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 504058574 QBNYJEDZACSFAY-QOGZIUHUSA-N 422.532 4.702 0 40 HJAB Cc1nc2cc(NC(=O)N3Cc4ccccc4[C@@H](c4cnn(C)c4)C3)ccc2s1 575619762 PKVPFRRXWAQCKW-LJQANCHMSA-N 403.511 4.518 0 40 HJAB Clc1ccc2ncc(-c3cccc([C@H]4CCCN(Cc5ccccn5)C4)n3)n2c1 585262951 RGCVMPOGJHAWDD-KRWDZBQOSA-N 403.917 4.824 0 40 HJAB CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c3cccc(c13)N2 1547138616 DATZWDMQPIUFEG-GOSISDBHSA-N 412.276 4.675 0 40 HJAB biogenic OC(C1=CC(=C(c2ccccn2)c2ccccn2)C=C1)(c1ccccn1)c1ccccn1 538243 NCZXKYCNHGRFHE-UHFFFAOYSA-N 416.484 4.501 0 40 HJAB in-man Clc1cccc(-c2nc(-c3ccncc3)ncc2-c2nnnn2-c2ccccc2)c1 721448 QEJZNRGXNMRZRT-UHFFFAOYSA-N 411.856 4.502 0 40 HJAB Cc1ccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)c1 835322 GYTYXJDHVLORRO-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB O=C(Oc1ccc(Br)cc1)c1cc2cc(Br)ccc2oc1=O 944933 VVQMHWYHSDEGAQ-UHFFFAOYSA-N 424.044 4.537 0 40 HJAB CCOc1ccc2nc(Cl)c(CN(CCc3ccccc3)C(=O)COC)cc2c1 1367899 KPDHFGUJTGKOLW-UHFFFAOYSA-N 412.917 4.505 0 40 HJAB COc1ccc(CC(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)cc1 2619776 XZMIBAUBFGKFCU-UHFFFAOYSA-N 407.491 4.571 0 40 HJAB COc1ccccc1-c1nnc(SCC(=O)Nc2c(Cl)cccc2Cl)o1 3379229 FHYUBFORJJQZSS-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4)=NN32)cc1OC 4844481 SKJILRQZZQXYPF-CJFMBICVSA-N 416.477 4.955 0 40 HJAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccc(F)c(F)c2)N1 4864406 DKRYWMGEQPFJNZ-NRFANRHFSA-N 402.404 4.764 0 40 HJAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 4896770 BNXKKGNFJUFIND-XHPWGDQZSA-N 404.591 4.775 0 40 HJAB COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 5150047 SRPWDSBAUIBHNF-JOCHJYFZSA-N 412.445 4.563 0 40 HJAB CCCn1c(C)cc(C(=O)COC(=O)c2ccc(OCc3c(C)noc3C)cc2)c1C 5312744 KYLQPERKMTZCJE-UHFFFAOYSA-N 424.497 4.738 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 5676835 OVWPXQNWLNRNPN-INIZCTEOSA-N 412.445 4.629 0 40 HJAB O=C(COc1ccccc1F)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 7167322 MFOPHOSLLRVSHF-GOSISDBHSA-N 404.397 4.922 0 40 HJAB CCCCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 7262158 ZQCLDNWDRQIDGQ-UHFFFAOYSA-N 415.925 4.716 0 40 HJAB O=C(c1cc2ccccc2o1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 7388371 MNHWLMDJCMKDDX-UHFFFAOYSA-N 412.770 4.605 0 40 HJAB CSc1nc2nc(C)c(CC(=O)Nc3c(C(C)C)cccc3C(C)C)c(C)n2n1 7919103 OSKYJFKIOIZHQH-UHFFFAOYSA-N 411.575 4.891 0 40 HJAB Cc1ccc2c(COC(=O)CCC(=O)c3ccc4c(c3)CCCC4)cc(=O)oc2c1 8326540 WBTFLPIGMRNWDV-UHFFFAOYSA-N 404.462 4.687 0 40 HJAB Cn1c(SCc2nnc(-c3ccccc3Br)o2)nc2ccccc21 8709803 MXZIOPSIZFORJI-UHFFFAOYSA-N 401.289 4.678 0 40 HJAB CCCc1cc(=O)[nH]c(S[C@H](C)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n1 9816695 IYNIJHIRYYANOG-GFCCVEGCSA-N 424.551 4.541 0 40 HJAB CCC(=O)c1c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)sc(C)c1CC 9871054 CAQOXQKIKAAIIA-INIZCTEOSA-N 402.541 4.653 0 40 HJAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ncc(-c2ccccc2)o1 9882621 DWVAVPYZFRCJBG-SANMLTNESA-N 423.472 4.532 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 10491103 IOJCFCGVMHEGDT-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB COc1cc(CNC(=O)c2sc3cccc(F)c3c2COc2ccccc2)ccn1 12544950 VTHCQDDIGHSBRK-UHFFFAOYSA-N 422.481 4.953 0 40 HJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(C)Cc1cccs1 12590125 CKFIPEVFWGGEBB-UHFFFAOYSA-N 414.552 4.724 0 40 HJAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N(C)Cc1cccs1 12896278 DJCQJPZWJKCAOP-UHFFFAOYSA-N 403.507 4.882 0 40 HJAB CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 13036380 NGJIEADDSOEYDU-XUZZJYLKSA-N 401.466 4.731 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2C)cc1 13613600 BSABRDKCKHWIRZ-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2cccs2)C4)c1 13634417 FKCDBUNQJKTFTK-HNNXBMFYSA-N 406.536 4.699 0 40 HJAB C[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccc(C(C)(C)C)cc1 13675895 IOGMVIJOTPSKMZ-LLVKDONJSA-N 402.379 4.848 0 40 HJAB Cc1ccc(S(=O)(=O)c2c(C)c(C)n(CC(C)C)c2NC(=O)c2ccco2)cc1 13692260 ZHZJWYLEKIHWNX-UHFFFAOYSA-N 414.527 4.747 0 40 HJAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccncc4)cc3c2C)cc1OC 13693705 WTSBESSLSFSXCO-UHFFFAOYSA-N 416.433 4.637 0 40 HJAB O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1ccc(Cl)cc1 14113865 QXLKSCMARUTIAL-INIZCTEOSA-N 400.809 4.728 0 40 HJAB CN(CCS(=O)(=O)c1ccc(Cl)cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 14814191 QBHOFUWSPWJWAN-QFIPXVFZSA-N 417.933 4.974 0 40 HJAB CCC[C@@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 15310338 WEUQCIONJNMBFM-FGZHOGPDSA-N 408.542 4.642 0 40 HJAB CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2Cl)cc1 15711070 FUPSCHXIAWPLST-UHFFFAOYSA-N 401.871 4.788 0 40 HJAB Cc1cc(I)ccc1NC(=O)COc1cccc2ccccc12 17090949 DMUGNGFXYNJQIF-UHFFFAOYSA-N 417.246 4.770 0 40 HJAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc(Br)cc3)sc2c1 17092115 ZFVXDEOHMICEMB-UHFFFAOYSA-N 420.357 4.802 0 40 HJAB O=C(c1cccnc1)N1C[C@@H]2CCCCN(Cc3ccc(Cl)c(Cl)c3)[C@@H]2C1 19337834 BUTOQLROTRMOSF-FXAWDEMLSA-N 404.341 4.515 0 40 HJAB c1ccc(COc2cccc(CNc3ccc([C@H]4CCc5nncn5C4)cc3)c2)nc1 19699169 AWPZWPDVNUZWCA-NRFANRHFSA-N 411.509 4.594 0 40 HJAB Cc1nc([C@@]2(O)CCCN(CC(C)(C)C)CC2)sc1CCOc1ccccc1 19738739 GVNOERWHFFLDMY-HSZRJFAPSA-N 402.604 4.793 0 40 HJAB COc1c(Cl)cc(C(=O)Nc2ccc(CSc3ncn[nH]3)cc2)cc1Cl 20611363 DLGFMWCCCSEFLT-UHFFFAOYSA-N 409.298 4.665 0 40 HJAB CC(C)COc1cccc(C(=O)NC(=S)Nc2c(Cl)ccc3nsnc23)c1 21595465 GZBYIXHZIXGYLH-UHFFFAOYSA-N 420.947 4.506 0 40 HJAB CC(=O)NCc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C2CCCCC2)cc1 21821413 GTDOFGIHASBYMU-UHFFFAOYSA-N 421.946 4.792 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2nn(-c3ccccc3)cc2OC)cc1 24393221 CYKAQFOZBBMFJW-NRFANRHFSA-N 405.498 4.647 0 40 HJAB COc1cc2c(cc1OC)C(=O)N(C)[C@@H](c1ccc(-c3nc4ccccc4s3)o1)N2 30541076 OOUFPAZOCSMANQ-FQEVSTJZSA-N 421.478 4.770 0 40 HJAB CC(C)c1ccc([C@@]2(C)NC(=O)N(Cc3nc4ccccc4n3C(F)F)C2=O)cc1 31749383 NUYRBYQIYKVVJU-JOCHJYFZSA-N 412.440 4.522 0 40 HJAB CC(C)c1ccc(NC(=O)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1 35596769 GUGLIPYFKIHZDG-UHFFFAOYSA-N 415.540 4.666 0 40 HJAB Cc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 39793899 JHMSSHNOJHKNFN-SXGWCWSVSA-N 420.412 4.689 0 40 HJAB O=C(NCCc1cc(F)cc2c1OCOC2)Nc1ccccc1Cc1ccccc1 47706549 MGHAGFHKHICOKL-UHFFFAOYSA-N 406.457 4.647 0 40 HJAB CCCCOc1ccc(C2=N/C(=C/c3c(Cl)nc4sccn34)C(=O)O2)cc1 48331669 VGFYLJNERSACJR-SDNWHVSQSA-N 401.875 4.573 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)cc1 57425989 JCVINIOLDBDQMC-UHFFFAOYSA-N 401.557 4.543 0 40 HJAB C[C@H](CNC(=O)COC(=O)c1cccc(Cl)c1Cl)c1nc2ccccc2s1 57991460 AOBJRNZSNBMUNS-LLVKDONJSA-N 423.321 4.680 0 40 HJAB COc1ccc(N(C)C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1OC 58367039 GMRCQOJZAOJYDW-UHFFFAOYSA-N 410.084 4.989 0 40 HJAB COc1ccc(F)cc1-c1csc(NC(=O)c2cccnc2N2CCCCC2)n1 58378555 VIIMHRRCDLCAST-UHFFFAOYSA-N 412.490 4.595 0 40 HJAB CCOc1cc(C(=O)NCc2ccccc2C(F)(F)F)cc(OCC)c1OCC 72331507 GPICKGNSPOEEBH-UHFFFAOYSA-N 411.420 4.832 0 40 HJAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3cc(C)c(O)c(C)c3)cc2n1 72389777 HPNYDBYAFCACDP-KRWDZBQOSA-N 404.436 4.716 0 40 HJAB COc1ccc(Cc2nc3ccccc3n2C[C@@H](O)COc2ccc(C)cc2C)cc1 82087045 SMYRNSMIAZDFPA-OAQYLSRUSA-N 416.521 4.692 0 40 HJAB COc1ccc(Cc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)c(Cl)c1OC 83937304 FYLMHBPJEZKPBP-UHFFFAOYSA-N 404.919 4.515 0 40 HJAB O=C(CSc1ccc2ccccc2c1)NC[C@H]1CCN(CCc2ccccc2)C1 89832349 YZXWFSSCLOITOH-OAQYLSRUSA-N 404.579 4.613 0 40 HJAB Cc1ccc(NC(=O)CCc2ccccc2Br)cc1N1CCCCC1=O 96103530 OOKZFGMQDOUGRP-UHFFFAOYSA-N 415.331 4.846 0 40 HJAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2)c1ccc(F)cc1 101192146 NEXJRKPBBRLGHB-UHFFFAOYSA-N 403.365 4.580 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 106127554 IGHIIBZWNNYCAI-UHFFFAOYSA-N 415.474 4.845 0 40 HJAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCC2)c1 107834308 QMNGYYZFXWYSLD-UHFFFAOYSA-N 414.571 4.729 0 40 HJAB CC(=O)c1cccc(NC(=O)/C(=C/c2cccnc2Cl)C(=O)Nc2ccccc2)c1 215738629 VINAHVFZIVRAPP-XSFVSMFZSA-N 419.868 4.598 0 40 HJAB CCOc1ccccc1CNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 216399955 ZLEKEIPLTLPLSI-UHFFFAOYSA-N 400.522 4.968 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219612471 JZMNLSPJLZYBMM-OALUTQOASA-N 403.906 4.925 0 40 HJAB COc1ccc2ccc(OC)c([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2c1 222568740 XZQKKJAVHIIOCD-CUJSYCCXSA-N 405.523 4.841 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C 222696477 MFYNZBHPJVYZNA-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 222815272 CEDBSZFWJQLTMC-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB Cc1ccccc1CN(C(=O)CSCc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 223757970 UFKHMMMAGPXFPX-FQEVSTJZSA-N 424.610 4.704 0 40 HJAB Cc1cc(C)c(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)c(C)c1 223760808 JLDIMHHEPQMLCL-UHFFFAOYSA-N 405.570 4.556 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 223816321 ONVKPYDQROKEIX-HSZRJFAPSA-N 412.549 4.709 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)CCc3ccccc3)c2)c1 223951113 XYODAFQBYJAVLL-LJQANCHMSA-N 422.550 4.547 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 224094886 BZTJKYZJNNIACA-FQEVSTJZSA-N 418.990 4.517 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 224469645 SYIPOZXYUZIEKJ-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1 225035674 PGCHQRGLOQZZOS-DEOSSOPVSA-N 406.570 4.794 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)N[C@H](C)CC)cc1 225485187 GWXREMVSBOMHEK-YKSBVNFPSA-N 408.586 4.904 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc3ccccc3c2)cc1 225794668 NYZASGMYDSREGB-KQWNVCNZSA-N 412.445 4.851 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1NC(=O)C(C)C 225824727 YIWBQPHLROQWLG-UHFFFAOYSA-N 422.572 4.591 0 40 HJAB CCOc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1OCC 245237002 AQRRVTTUADGEHZ-IMFGXOCKSA-N 406.519 4.645 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)cc1 408622040 AGMZAROVALKGHU-LJQANCHMSA-N 422.550 4.547 0 40 HJAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1 408640073 HDVSVYVONDNQJH-SFHVURJKSA-N 416.477 4.788 0 40 HJAB CCN1C(=O)S[C@H](Cc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O 409142089 QLBLIONSHFOTHA-QGZVFWFLSA-N 423.893 4.693 0 40 HJAB CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cc2cc(Br)ccc2[nH]1 589571773 CHANKJURYJJRMZ-IBGZPJMESA-N 413.315 4.923 0 40 HJAB COc1ccc(CN(CCc2ccccn2)c2cnc3cc(Cl)ccc3n2)cc1 1655444974 GGABDUWITNMNBA-UHFFFAOYSA-N 404.901 4.936 0 40 HJAB CCc1ccc([C@@H]2CN(Cc3ccccc3)[C@H]3CCN(C(=O)c4ccco4)C[C@H]32)cc1 1848355223 WIHWQULYWZAAAL-SDHOMARFSA-N 414.549 4.972 0 40 HJAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCC(C)C)cc2c1 916755 RXZRYVLUXKEASQ-UHFFFAOYSA-N 407.583 4.623 0 40 HJAB COC(=O)c1c(-c2cccs2)csc1NC(=O)[C@@H](OC(C)=O)c1ccccc1 1094932 FTVHJJHQTWWXCB-KRWDZBQOSA-N 415.492 4.506 0 40 HJAB CCOc1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)cc1 1397079 XUWLWSFHOLTABO-UHFFFAOYSA-N 417.292 4.854 0 40 HJAB CCOc1ccc(-n2c(N)c(C(=O)OC[C@@H](C)CC)c3nc4ccccc4nc32)cc1 2367071 KSNVBBOMGGGKTO-HNNXBMFYSA-N 418.497 4.758 0 40 HJAB CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2431763 GZUCGLBYQLLTOL-PGRDOPGGSA-N 403.478 4.641 0 40 HJAB CC1(C)CC(=O)c2sc(NC(=O)c3cccc(NC(=O)c4ccccc4)c3)nc2C1 2735072 HTVUNROFSIBUTG-UHFFFAOYSA-N 419.506 4.803 0 40 HJAB COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)cc1 3296202 QYYAOTDXIRQXEX-UHFFFAOYSA-N 411.527 4.601 0 40 HJAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1cccc(I)c1 3362296 FPALLDOPAAWVBE-RMKNXTFCSA-N 415.177 4.545 0 40 HJAB COc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCc4ccccc43)n2C(C)C)cc1 3544866 GLWNZLXLASNKQP-MRXNPFEDSA-N 422.554 4.605 0 40 HJAB COc1ccc(N2C(=O)C[C@]2(/C=C/c2ccccc2)C(=O)Nc2ccccc2C)cc1 4090728 CNNFNPMISGSZCB-ZMNABIIRSA-N 412.489 4.831 0 40 HJAB biogenic COc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3ccc(C)cc3)n2)cc1 4169386 CNOVTKOJJHFXQG-UHFFFAOYSA-N 409.555 4.726 0 40 HJAB CCOC(=O)c1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C(=O)OCC)c1C 4350611 GHDSXPTWBLLTOB-UHFFFAOYSA-N 419.543 4.565 0 40 HJAB Cc1cccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(Cl)cc3)s2)c1 4392387 NEDRDXZTQBYRIH-UHFFFAOYSA-N 406.960 4.601 0 40 HJAB Cc1ccc2nc(-c3ccc(N(C)C)cc3)c(NCc3ccc4c(c3)OCO4)n2c1 4848454 BIMOZSSNSUQJNZ-UHFFFAOYSA-N 400.482 4.717 0 40 HJAB Cc1nnc2sc(-c3ccccc3NC(=O)CC34CC5CC(CC(C5)C3)C4)nn12 5008267 IJFUKLYLEJOYOF-UHFFFAOYSA-N 407.543 4.706 0 40 HJAB C[C@@H](c1nnc(SCC(=O)C(C)(C)C)n1-c1ccc(F)cc1)N1CCCCC1 5280628 XGKFVSNPLDYGQT-HNNXBMFYSA-N 404.555 4.661 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CCN(C(C)C)CC2)cc1 5477544 ACQIPHVHLNEVMT-QHCPKHFHSA-N 405.542 4.748 0 40 HJAB CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2F)c2c[nH]c3ccccc23)cc1 5898622 ZZVPVFVJAOFNMN-OAQYLSRUSA-N 401.485 4.935 0 40 HJAB aggregator Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc34)n2C)cc1 6300422 YIWMWGHVCIEINA-UHFFFAOYSA-N 418.522 4.587 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1C 6356404 ITCLBSQNTLYRLS-UHFFFAOYSA-N 406.511 4.830 0 40 HJAB O=C(OCCN1CCCCC1)[C@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1 6582650 BXGAZMHAVGAZRZ-MHZLTWQESA-N 415.533 4.619 0 40 HJAB CCn1c(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)nc2ccccc21 6649895 YFVBDGCVJASGLI-CQSZACIVSA-N 410.568 4.978 0 40 HJAB CC(C)N(Cc1ccccc1)C(=O)CN1CCC(c2nc3ccccc3s2)CC1 6978511 GCOSOQIIKHCXMS-UHFFFAOYSA-N 407.583 4.913 0 40 HJAB COc1ccc(CN(Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)C2CC2)cc1 8148355 DKOXHDBRXFDFOW-UHFFFAOYSA-N 414.962 4.902 0 40 HJAB COc1cc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c(OC)cc1Cl 8313664 ZMCQFLKIKHRFMU-UHFFFAOYSA-N 416.861 4.793 0 40 HJAB CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3cccc(C(C)=O)c3)o2)cc1 8725888 AHIDTJDAAQKDGV-UHFFFAOYSA-N 424.526 4.516 0 40 HJAB CC(=O)N1N=C(c2cccc(O)c2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 8734903 HBSXBITXMZFPGO-RUZDIDTESA-N 422.488 4.943 0 40 HJAB COc1ccccc1C(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@@H]1c1ccccc1 10060311 YWBROZUSGPSVMC-PKTZIBPZSA-N 424.504 4.976 0 40 HJAB C[C@H]1C[C@H](C)CN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)C1 10272067 OJRSOJFRMINXAG-GJZGRUSLSA-N 402.541 4.718 0 40 HJAB CCc1ccccc1NC(=O)[C@H]1Sc2ccc(C)n2N[C@H]1c1ccc(OC)cc1 11116016 HIVJBHTZQRNOPZ-VXKWHMMOSA-N 407.539 4.765 0 40 HJAB O=C(Nc1ccccc1)c1nc(SCc2ccc(F)cc2)ncc1Br 11916313 IGENATGMVSPKKZ-UHFFFAOYSA-N 418.291 4.923 0 40 HJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12792798 HPXIUWHCDRMJGJ-UHFFFAOYSA-N 417.406 4.791 0 40 HJAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(Br)cc1F 12979855 LUSFUPIFWLMICF-UHFFFAOYSA-N 405.311 4.504 0 40 HJAB O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)Nc1ccc(F)cc1F 13145575 JDJZUMOEXWSFKG-UHFFFAOYSA-N 421.400 4.549 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1C 13512057 DYZZPJSEGPFOAX-UHFFFAOYSA-N 422.510 4.835 0 40 HJAB COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1COc1ccc(-c2ccccc2)cc1 13961505 KZNCPDBPSXLOOG-GMAHTHKFSA-N 421.518 4.729 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2Cn2nc(-c3cccc(C)c3)n(C)c2=S)c1 14185879 SBODZJISCUCEIZ-FQEVSTJZSA-N 424.570 4.738 0 40 HJAB COC(=O)c1ccc(Oc2ccc(Cl)cc2NC(=O)c2c(C)noc2C)cc1 14250377 MLCXWKAQFIZYNX-UHFFFAOYSA-N 400.818 4.776 0 40 HJAB COc1ccc(C)cc1CN1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 19133483 RUKBHXIDJAUGSL-DKSSEZFCSA-N 408.468 4.845 0 40 HJAB CCCC(=O)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 19501305 UGBQHXZGMFJSCU-SFHVURJKSA-N 419.504 4.927 0 40 HJAB CNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C2CCCC2)CC1 19700045 RAWGQDVCUKEFST-UHFFFAOYSA-N 418.581 4.750 0 40 HJAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2Cc2ccccc2)nc1C 19753728 YEALQPPFWGRPLX-QFIPXVFZSA-N 416.525 4.773 0 40 HJAB O=C(c1sccc1-c1ccccc1)N1CCN(Cc2nc3ccccc3s2)CC1 23968565 NZRIQYVRANUYGZ-UHFFFAOYSA-N 419.575 4.983 0 40 HJAB COc1ccc(/C=C/C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)c(OC)c1 28218536 YEYYZVPWKPLUCA-ZRDIBKRKSA-N 421.497 4.513 0 40 HJAB Cc1nnc(SCC(=O)Nc2cccc(OC3CCCC3)c2)n1Cc1ccccc1 29360706 QMMUZGXEJHMOTD-UHFFFAOYSA-N 422.554 4.687 0 40 HJAB COc1ccc(S[C@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)cc1OC 30757840 ZRSQAGCCZWUSIX-QGZVFWFLSA-N 417.571 4.721 0 40 HJAB O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCN(c2ccc(F)cc2)CC1 32740583 APDDHNMXDYDPGC-UHFFFAOYSA-N 401.894 4.565 0 40 HJAB CSc1ccccc1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C 33272047 WGNMFTYSTCYOBW-UHFFFAOYSA-N 424.547 4.775 0 40 HJAB COc1cccc(C(=O)Nc2cnc(C)n2-c2nc(-c3ccccc3)cs2)c1OC 35682917 SFTMGTMSYGWUPW-UHFFFAOYSA-N 420.494 4.574 0 40 HJAB O=C(NCC(F)(F)F)c1cccc(NCc2ncc(-c3cccc(Cl)c3)o2)c1 40061231 XGDDUHYNJDTXLZ-UHFFFAOYSA-N 409.795 4.899 0 40 HJAB CC(C)[C@@H](SC1=Nc2ccccc2CS1)C(=O)N1CC(=O)Nc2ccccc21 43030760 BCAKNJMMZUQSSN-LJQANCHMSA-N 411.552 4.664 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 46058044 PSTSAFBNNVJDRC-UHFFFAOYSA-N 408.932 4.511 0 40 HJAB C[C@@H](CNC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)N(C)c1ccccc1 48332165 CHYWOPLYUYCRDC-SFHVURJKSA-N 417.513 4.977 0 40 HJAB C[C@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(F)cc1F 58175426 HXZMDUBNCIFUPB-AWEZNQCLSA-N 402.441 4.686 0 40 HJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 59133061 TUZWFYLDGSCETR-JOCHJYFZSA-N 424.522 4.592 0 40 HJAB CSc1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)s1 71794640 BEVOTYZMBUHJEL-LLVKDONJSA-N 423.585 4.811 0 40 HJAB COc1ccc(O[C@@H](C)C(=O)NCc2sc(-c3ccccc3Cl)nc2C)cc1 90593143 GKTMYRAAZNEGEE-AWEZNQCLSA-N 416.930 4.864 0 40 HJAB CCCOc1c(Cl)cc(C(=O)N2CCC(CCCn3ccnc3)CC2)cc1OC 96008819 RKHTVYDCRXCESV-UHFFFAOYSA-N 419.953 4.667 0 40 HJAB CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1OC)C1=C(O)CC(C)(C)CC1=N2 102678866 CQACMIIUMRREHR-GOSISDBHSA-N 414.531 4.715 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 224526089 AQNCKKYJJAOXRK-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 225162598 QGXQLJAOCNDWFD-OALUTQOASA-N 414.977 4.831 0 40 HJAB O=C(N[C@H]1CC2(CCCCC2)Oc2ccccc21)c1cccc(N2CCCC2=O)c1 225179781 XPFNXKZDZNMGSP-NRFANRHFSA-N 404.510 4.770 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 225224461 TVDNVSZHNIIKRY-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB CC[C@H]1N=C(c2ccc(OC)c(OC)c2)c2cccn2-c2cc3c(cc21)OCCO3 225375491 IDHUJXISQJJLSM-QGZVFWFLSA-N 404.466 4.568 0 40 HJAB FC(F)(F)c1ccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)cc1 225819229 YISYYRMDZKWHQU-UHFFFAOYSA-N 412.824 4.895 0 40 HJAB CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 257213768 CJALHDUETIJAIH-GBXCKJPGSA-N 418.581 4.605 0 40 HJAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)Cc4ccc(Cl)cc4)CC3)o2)cn1 257254448 KDCJTURBWAPYTN-IYARVYRRSA-N 424.932 4.726 0 40 HJAB COc1ncccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257330385 XODPUFFRTUEVBM-LJQANCHMSA-N 411.889 4.690 0 40 HJAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 408562509 QKROJGNGRCTVSS-UHFFFAOYSA-N 416.330 4.668 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4)cc3O)oc2c1 408628605 VHACGRGCXBJNGQ-UHFFFAOYSA-N 403.463 4.636 0 40 HJAB Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 408629085 ZCMKILFSHRGYIP-UHFFFAOYSA-N 401.491 4.608 0 40 HJAB COc1cc(Br)cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c1O 408633937 NVMWFBBUIQJDTE-AUWJEWJLSA-N 422.256 4.522 0 40 HJAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3ccc(F)cc3F)sc2n1 408637052 WRZKKDSJHDJEDN-UHFFFAOYSA-N 420.510 4.934 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)cc1 408694013 HDOISOOBVCMBKY-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)C1=O 409013392 NFKJCQUMEWDVGA-ATARQRRYSA-N 411.907 4.505 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2CC(C)C)c1C 409107981 TYQDCNPXEYMXMN-UHFFFAOYSA-N 408.571 4.873 0 40 HJAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]21)c1ccccc1 409369410 MSANGIVSAPSHGN-QCFAMHMHSA-N 420.306 4.844 0 40 HJAB Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)/C=C/c3ccco3)C2)n1 585292698 RCGKQJAKJCJVPP-YXBWYFRISA-N 402.498 4.849 0 40 HJAB CC(C)(C)OC(=O)Nc1c(Br)ccc(I)c1F 604221801 KTTNKCWVRBSXBF-UHFFFAOYSA-N 416.028 4.540 0 40 HJAB COCCOC(=O)N1CCC([C@H]2CCCCN2Cc2ccc(C(C)C)cc2)CC1 2056225476 NMYRSMJFEACQED-HSZRJFAPSA-N 402.579 4.660 0 40 HJAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1ccccc1 709122 ZIVGZXGJPXKAPR-UHFFFAOYSA-N 411.479 4.861 0 40 HJAB COC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CC[C@H](C(C)(C)C)C2 996268 OILYVSLDYMYOQO-AWEZNQCLSA-N 401.528 4.947 0 40 HJAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N4CCN(C)CC4)ncnc32)cc1Cl 1455563 RINLUFKWTAKZJL-UHFFFAOYSA-N 417.944 4.801 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1 2214618 WKOYPBJHLJTYAO-UHFFFAOYSA-N 416.506 4.887 0 40 HJAB O=C(Cc1c(F)cccc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 2621088 XNYWTMYKAHQOQD-UHFFFAOYSA-N 416.802 4.516 0 40 HJAB O=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1ccc(OC(F)F)cc1 3272409 JZNAICAWHQVPFG-UHFFFAOYSA-N 413.376 4.876 0 40 HJAB CCc1cccc(CC)c1NC(=O)COC(=O)CCCc1nc2ccccc2s1 3332810 NREOQEBBJSOIKN-UHFFFAOYSA-N 410.539 4.926 0 40 HJAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)c1cccc(Br)c1 3340025 FIOXFBLTPHVXIO-UHFFFAOYSA-N 405.263 4.826 0 40 HJAB Cc1ccsc1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 3398252 YWBWNIUELHLTRA-JTQLQIEISA-N 408.451 4.642 0 40 HJAB COc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccncc2)cc1 4509705 QQBPSOLDYXKAFO-UHFFFAOYSA-N 404.495 4.509 0 40 HJAB CC(C)(C)c1nc(NCc2cccs2)c2nnn(Cc3ccccc3Cl)c2n1 4966606 GWNGPEBXVMFTLH-UHFFFAOYSA-N 412.950 4.894 0 40 HJAB COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCCC[C@H]4C)c3N2)c1 5017794 TYPHZDMKCNQLCF-FSPWUOQZSA-N 422.451 4.567 0 40 HJAB c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4cccnc4)=NN23)cc1 5092121 CQGMVAWMAHVVTL-DEOSSOPVSA-N 410.521 4.617 0 40 HJAB CC(C)N(C(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1 5359334 ARMDTHVTLNVZFB-UHFFFAOYSA-N 401.677 4.640 0 40 HJAB C[C@H]1C(c2ccccc2Cl)=NO[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1 5394036 NKWFDUAHKZBBCA-NYHFZMIOSA-N 405.885 4.704 0 40 HJAB Cc1c(O)ccc2c(CSc3nnc(-c4ccccc4Cl)n3C)cc(=O)oc12 5448105 WOMZMNRVPLQEEF-UHFFFAOYSA-N 413.886 4.548 0 40 HJAB Cc1cc(SC(=O)c2ccc(F)cc2)nc(SC(=O)c2ccc(F)cc2)n1 5537544 SSTCALYRDZOLCN-UHFFFAOYSA-N 402.447 4.928 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)cc1C 6033228 SLRBZLHNIWFFJP-UHFFFAOYSA-N 410.297 4.951 0 40 HJAB CC1(C)C[C@@H](NC(=O)NC2CCCCC2)C[C@@](C)(CNC(=O)NC2CCCCC2)C1 6050268 WAHPXTXIILESAG-HYBUGGRVSA-N 420.642 4.835 0 40 HJAB CCOc1ccc(OCC)c(-c2csc(NC(=O)c3cccnc3OCC)n2)c1 6552792 XYCRXAMCWRWERM-UHFFFAOYSA-N 413.499 4.654 0 40 HJAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2OC)c(C)c1 6629932 LDNWNZTXTHOBFY-UHFFFAOYSA-N 405.951 4.630 0 40 HJAB COc1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c(OC)cc1Cl 6638653 JVIOXLDSUFRSJT-UHFFFAOYSA-N 414.845 4.763 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCC[C@@H]5CCCC[C@@H]54)c(=O)c23)cc1 7475315 HEOCTPVJVPZOJW-ICSRJNTNSA-N 421.566 4.615 0 40 HJAB COc1ccc(CCNCc2ccc(OCCc3ccccc3)c(OC)c2)cc1OC 7540087 NJOACOBKXJVCSR-UHFFFAOYSA-N 421.537 4.666 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2Cl)c1 7717466 YJCQYBUTPCGMLQ-SFHVURJKSA-N 409.313 4.786 0 40 HJAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@H]1CCSc2ccccc21 8132048 VQKWVNCCCAHKFU-HNNXBMFYSA-N 406.536 4.513 0 40 HJAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc(N3CCCC3)cc2)cc1 8161512 APYAWANKTRHHCI-DEOSSOPVSA-N 407.558 4.851 0 40 HJAB Cc1ccc(C)c([C@H](C)N[C@@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)c1 8491750 BOMDGRDQPRQHME-PNTFMKQHSA-N 420.578 4.599 0 40 HJAB CCCOc1ccccc1C(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O 8560978 RXKYPCOTDDNXMU-UHFFFAOYSA-N 408.523 4.787 0 40 HJAB Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(-c2ccccc2)cc1 8900483 MKGMJDIBRKWNOB-UHFFFAOYSA-N 420.563 4.865 0 40 HJAB O=C1c2ccccc2N[C@H](c2ccccc2Cl)N1c1ccc(N2CCOCC2)cc1 8993345 CAVJIGDSTLQQPN-QHCPKHFHSA-N 419.912 4.948 0 40 HJAB CC(C)[C@@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1cccs1 10850713 UJDVDLIOYDFLQL-HSZRJFAPSA-N 422.550 4.570 0 40 HJAB CCc1ccccc1NC(=O)[C@@H]1Sc2ccc(C)n2N[C@H]1c1ccc(OC)cc1 11116039 HIVJBHTZQRNOPZ-FCHUYYIVSA-N 407.539 4.765 0 40 HJAB O=C(COc1ccccc1F)NCc1ccc(-c2ccc(Br)cc2)o1 11168386 ZBDHXQNVMJAOLV-UHFFFAOYSA-N 404.235 4.543 0 40 HJAB O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)C1CCCC1 12408176 BJZPMXNUCFTXNP-UYAOXDASSA-N 401.551 4.542 0 40 HJAB C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C1 12754536 ADICKRWDNPUXCX-NSHDSACASA-N 412.328 4.529 0 40 HJAB CCC(C)(C)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 12800029 KGBGZZFXABIBMY-UHFFFAOYSA-N 407.605 4.587 0 40 HJAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 12887334 SPMBNCLWHOUPDI-INIZCTEOSA-N 419.852 4.893 0 40 HJAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc(Cl)ccc1Cl 12972324 REKLQUASHBJYGQ-UHFFFAOYSA-N 408.310 4.692 0 40 HJAB C[C@H](c1ccccc1)N(C)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 15538123 RIBVVAJJKYAGGH-LJQANCHMSA-N 400.522 4.912 0 40 HJAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1)c1cccs1 16309164 RSXOUQKCWQPMFA-LJQANCHMSA-N 416.506 4.854 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3C)c2)c1 17091162 HADVPWXMHBSWPY-UHFFFAOYSA-N 417.534 4.991 0 40 HJAB CCn1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nnc1-c1ccc2c(c1)CCCC2 17971412 NPXHBJDMQDRETR-CALCHBBNSA-N 412.603 4.725 0 40 HJAB O=C(O)COc1ccc(NC(=O)c2ccccc2F)cc1-c1nc2ccccc2s1 20158019 DVBUFEAUUADOQR-UHFFFAOYSA-N 422.437 4.818 0 40 HJAB Cc1ccccc1C(=O)Nc1ccccc1SCc1cc(=O)n2c(C)csc2n1 20583065 MUTWBJQSFDMAKD-UHFFFAOYSA-N 421.547 4.917 0 40 HJAB COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccc(F)cc3)c2c1 22574216 NZICFAZXTWNGTN-UHFFFAOYSA-N 422.481 4.827 0 40 HJAB Cc1nn(Cc2cccc(C(=O)N3CCCc4ccccc43)c2)c(C)c1Br 27970721 SRGBVKCTYPLLJR-UHFFFAOYSA-N 424.342 4.904 0 40 HJAB COc1cc(/C=C/C(=O)N(C)Cc2cccs2)ccc1OCc1c(C)noc1C 31522473 YNYHTBILGDIJEF-CSKARUKUSA-N 412.511 4.612 0 40 HJAB O=C(COC(=O)c1csc(-c2ccsc2)n1)Nc1ccc(Cl)c(Cl)c1 32776540 ALDWFTOVTQHZKP-UHFFFAOYSA-N 413.307 4.974 0 40 HJAB Cc1nc(NC(=O)COc2ccc3oc4ccccc4c3c2)sc1-c1nccn1C 32905581 BJWXLETXMUEVDX-UHFFFAOYSA-N 418.478 4.769 0 40 HJAB COc1ccc([C@H](CNC(=O)c2cc(F)c(F)cc2Cl)N2CCCCC2)cc1 33025997 YTJTWWBVAISKFD-FQEVSTJZSA-N 408.876 4.584 0 40 HJAB COc1cccc(-c2noc3nc(C)cc(C(=O)N[C@H](C)CCc4ccco4)c23)c1 36619518 INNCXVUXJRTRQX-CQSZACIVSA-N 405.454 4.551 0 40 HJAB Cc1sc2nc(-c3cccs3)nc(N(C)Cc3nnc4n3CCCCC4)c2c1C 48342850 LHKQFCRLRBAKGT-UHFFFAOYSA-N 424.599 4.991 0 40 HJAB Cc1ccc2c(c1)[C@]1(Nc3ccccc3C(=O)N1c1ccc(F)c(Cl)c1)C(=O)N2 49947076 XGEUPOKSNXSJRA-JOCHJYFZSA-N 407.832 4.665 0 40 HJAB COc1ccc(CCNC(=O)[C@@H](C)SCc2nc(-c3cccs3)oc2C)cc1 84056825 SLFQMTJNNQWHCW-OAHLLOKOSA-N 416.568 4.701 0 40 HJAB Cc1cc(-c2cnc(C3CCN(C(=O)C4[C@@H]5CCCC[C@@H]45)CC3)nc2C(C)C)on1 100219329 NPVRJYFXDMUBDS-QZTJIDSGSA-N 408.546 4.706 0 40 HJAB CCOc1cccc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1cccc(Br)c1 101084910 JGDVKQMHMMKLEM-HNAYVOBHSA-N 403.276 4.617 0 40 HJAB COc1ccc(N2C[C@@H](C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)CC2=O)cc1 108318346 SNVODLVHYYOOEQ-INIZCTEOSA-N 422.431 4.632 0 40 HJAB O=S(=O)(CCc1cccc(C(F)(F)F)c1)CCc1cccc(C(F)(F)F)c1 198798278 KSVZAZCGZIQFJJ-UHFFFAOYSA-N 410.379 4.924 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccccc3C(=O)Nc3cc(Cl)ccc3C)C(=O)[C@@H]12 206659840 WRNDAJBHJKNXMD-XVSRIUFKSA-N 420.896 4.602 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 223034983 YIDBKVBCRNQNFW-IBGZPJMESA-N 413.905 4.823 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 223305619 DBRWXPJAPFFOFP-HSZRJFAPSA-N 408.586 4.876 0 40 HJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CC 224493869 ZQVIFKWZFGELTK-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 224974923 VYKNTRPYPWGXIO-SJORKVTESA-N 418.990 4.764 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225011148 UBXFJJVYPRKTFA-JKSUJKDBSA-N 421.368 4.868 0 40 HJAB CC(C)Oc1cccc(CNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 225524986 HEGHTSIWGHBBHZ-UHFFFAOYSA-N 411.571 4.587 0 40 HJAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225591448 MPDGPWOPEWZVEG-UHFFFAOYSA-N 402.941 4.829 0 40 HJAB FC(F)(F)c1ccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 225820849 UYBBYTPUSCEQMT-UHFFFAOYSA-N 412.824 4.895 0 40 HJAB Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@H](C)C5=C[C@@H]43)C[C@@H]2C)c1 248121607 SAOYGWVUOAMNQH-YLCVQVIBSA-N 422.613 4.820 0 40 HJAB CCn1cc(CN2CCO[C@@H](c3cc(Cc4cccc(Cl)c4)cc(C)n3)C2)c(C)n1 257204753 AWEKIQAHRGNFAX-XMMPIXPASA-N 424.976 4.733 0 40 HJAB C[C@@H](CCc1ccccc1Cl)Nc1cc(-c2cc(C(C)(C)C)nn2C)nc(N)n1 257275002 NNOUBRGOQIMMEB-AWEZNQCLSA-N 412.969 4.843 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1Cc1ccncc1 260774991 OPVSSMMVOUAXGA-NPFVIJTESA-N 403.555 4.533 0 40 HJAB CO[C@]1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCC[C@H](C)C1 260818189 WYOVNAMKXAJKJT-DCLXLUIPSA-N 402.579 4.864 0 40 HJAB Cc1cccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)c1 408627645 MYQVAWSRTVLZSS-UHFFFAOYSA-N 401.491 4.608 0 40 HJAB COc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 408698402 NKIBJFDLQUBUPR-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB CC(C)(C)C1CCC(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)CC1 408707949 TVTSBUSWGYEZHM-UHFFFAOYSA-N 406.570 4.656 0 40 HJAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCCCCC1 408738815 VUAMPUMMMQFDAN-DEOSSOPVSA-N 406.570 4.798 0 40 HJAB O=C(CSCc1ccccc1Br)NCCSCc1ccccc1 408871815 ZVZNHBCZAPVZFK-UHFFFAOYSA-N 410.402 4.732 0 40 HJAB CC1=C(C(N)=O)[C@H](c2cccc(Cl)c2Cl)NC(SCc2ccccc2)=N1 408993000 VNEAYMBWWPRWJW-KRWDZBQOSA-N 406.338 4.686 0 40 HJAB CCN1C(=O)S/C(=C\c2cn(CCOc3ccc(OC)cc3)c3ccccc23)C1=O 409147395 WHWVRARBRDTOGW-STZFKDTASA-N 422.506 4.785 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 860563 MERNLZRGFWUGIO-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB Cc1ccc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C 880264 CDADNXNRSJCPAB-UHFFFAOYSA-N 412.493 4.774 0 40 HJAB C[C@H](O)CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 1447679 NTLBQEVTWTXZGF-AWEZNQCLSA-N 412.415 4.899 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1F 2241581 NCQOXXQNTSUHAS-UHFFFAOYSA-N 424.423 4.854 0 40 HJAB CC[C@H](C(=O)Nc1c(C(=O)OC)[nH]c2ccc(Br)cc12)c1ccccc1 2339673 BJNJVSNXSFZWLU-AWEZNQCLSA-N 415.287 4.849 0 40 HJAB CCCSc1nnc2c(n1)O[C@@H](c1cccc(OC)c1OC)Nc1ccccc1-2 2742156 PXAOZEKWXXKMIM-IBGZPJMESA-N 410.499 4.561 0 40 HJAB C1CCC2(CC1)OC[C@H]([C@H]1OC3(CCCCC3)O[C@@H]1[C@H]1COC3(CCCCC3)O1)O2 3170376 WGMZNGZBEGHRHH-XRXFAXGQSA-N 422.562 4.582 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccccc1Oc1ccccc1 3431232 COFSDZIGKXLHKR-UHFFFAOYSA-N 417.509 4.605 0 40 HJAB CNC(=S)c1c(-c2ccccc2)c2c3n(c(COc4ccccc4)nn13)CCCC2 4518357 JMOKLOLLMMMAIM-UHFFFAOYSA-N 416.550 4.613 0 40 HJAB COc1ccccc1[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccccc2)c2ncnn21 4816909 JOWJCHUXLVORPK-YADHBBJMSA-N 410.477 4.668 0 40 HJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1C 5860994 FFWOWYJMYUOAQR-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 6153840 LYPKNUOFNNOCHI-UHFFFAOYSA-N 405.479 4.673 0 40 HJAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1 6355930 UHUANFPQQGJDFJ-UMYHVIPVSA-N 414.303 4.563 0 40 HJAB CCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 6732361 AIPDELJBFFTQGS-RUZDIDTESA-N 419.908 4.910 0 40 HJAB CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccc(C)c(C)c1)S2 6812232 STWFHSJWDZLLSP-NHCUHLMSSA-N 421.570 4.554 0 40 HJAB O=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@H](c2nc3ccccc3s2)C1 8071372 ARNPPSVSGRMZJS-KRWDZBQOSA-N 418.522 4.685 0 40 HJAB Cc1noc(C)c1CC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 8190072 UKIYJLUJRPSBCK-LJQANCHMSA-N 407.901 4.917 0 40 HJAB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(OC)c(Cl)c4)cc3n2)cc1 8584804 SVOOEOFRYOUOAV-UHFFFAOYSA-N 422.872 4.734 0 40 HJAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCC[C@@H]1c1cccs1 8707831 XCBRJVRHCIGVQY-HXUWFJFHSA-N 400.507 4.973 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 9108992 MUTCSHDRYWFKDV-GVAUOCQISA-N 420.468 4.891 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1-n1cccc1 9707915 QUMCASCAYNJXKL-UHFFFAOYSA-N 423.929 4.751 0 40 HJAB COc1ccc(-c2nc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cs2)cc1 9797493 WEFVNBWEFYGCGL-IBGZPJMESA-N 422.506 4.567 0 40 HJAB CCCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccncc1 9812889 GJVRMDBYXMHFSV-UHFFFAOYSA-N 422.341 4.788 0 40 HJAB CC(=O)Nc1ccc(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)cc1 9951174 UZSJCRGEJDCYBN-LJQANCHMSA-N 416.930 4.612 0 40 HJAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 9993687 XWIBZJMTJLLDTN-HYSAVQALSA-N 414.534 4.901 0 40 HJAB CC(C)c1noc2ncc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cc12 10422226 NLBMJNWDHDNLPZ-UHFFFAOYSA-N 416.485 4.583 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11139650 HEFGOZUMTRQIGU-UHFFFAOYSA-N 407.297 4.916 0 40 HJAB CCCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 12062995 XHTUSDBBLWMXOK-CYBMUJFWSA-N 401.850 4.585 0 40 HJAB CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccnc4)=NN32)cc1 12196181 RDLMHPQQKYHADS-ZJSXRUAMSA-N 401.466 4.731 0 40 HJAB OCCn1c(CN[C@H](c2ccc(F)cc2)c2cccs2)nc2ccc(Cl)cc21 12530937 VHMCAFFHYWJMGH-OAQYLSRUSA-N 415.921 4.762 0 40 HJAB NC(=O)c1ccc(N[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1 12553124 INPSAQAXPUSOLT-IBGZPJMESA-N 414.292 4.884 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccccc2Cl)c1 12793764 YLFBCJPVCULMRY-UHFFFAOYSA-N 400.935 4.618 0 40 HJAB COC(=O)C[C@H](NC(=O)c1sc(-c2cccs2)nc1C)c1ccccc1Cl 12858743 VSOUCBFUPSINHV-AWEZNQCLSA-N 420.943 4.868 0 40 HJAB Cc1ccc(F)c(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)c1 12891158 MCOQLJRHWGVNNS-INIZCTEOSA-N 424.497 4.526 0 40 HJAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(-c2ccc(F)cc2)o1 13117872 ATNSNVWHWHFMNV-UHFFFAOYSA-N 423.469 4.784 0 40 HJAB CCOc1ccc(-n2c(SCC(=O)NCc3cccs3)nc3ccccc32)cc1 14360840 HQKFWXNVHNXPTR-UHFFFAOYSA-N 423.563 4.894 0 40 HJAB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccc(C)o2)c(C)c1 15412399 HBHCJGDBKYESDQ-DEOSSOPVSA-N 402.494 4.943 0 40 HJAB Cc1c([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 18324635 HRSQQSTVOBXDHC-QFIPXVFZSA-N 404.901 4.734 0 40 HJAB Cc1cc(-c2cn[nH]c2)cc([C@@H]2CCCN2Cc2cc3ccccc3nc2N(C)C)n1 19691046 JIHSXKOFYQHSRX-DEOSSOPVSA-N 412.541 4.731 0 40 HJAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 20036929 IKKHSKMYRYZTHZ-QGZVFWFLSA-N 406.482 4.739 0 40 HJAB COc1ccccc1CNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 22073015 WYJMKBSPWUJGGI-UHFFFAOYSA-N 401.388 4.783 0 40 HJAB CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H](c2nc3ccccc3o2)C1 24666853 GSHUHTASDYWEGB-FQEVSTJZSA-N 405.542 4.835 0 40 HJAB Cc1ccc(-c2cc(C(=O)Nc3nnc(CC(C)C)s3)c3c(C)noc3n2)s1 25001369 RLEQSWZLKAQRIA-UHFFFAOYSA-N 413.528 4.870 0 40 HJAB Cc1c(C(=O)Nc2nonc2-c2ccc(Br)cc2)oc2ccc(F)cc12 27582936 ZNBNPAVPYIPNHS-UHFFFAOYSA-N 416.206 4.945 0 40 HJAB C[C@H](NC(=O)c1cc(Cl)ccc1I)c1ccc(F)cc1F 32483387 MKGGNETYXFRKKU-QMMMGPOBSA-N 421.612 4.714 0 40 HJAB O=C(NC1CCCCCCC1)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1 33311947 ZAMADCSVSLBTNQ-UHFFFAOYSA-N 408.546 4.714 0 40 HJAB CCCc1ccc([C@@H](NC(=O)c2cnc3ccc(C)cn3c2=O)c2cccs2)cc1 40059866 PRDRQHOHNSLRDF-JOCHJYFZSA-N 417.534 4.536 0 40 HJAB CC(C)(C)c1csc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)n1 40140650 FXOFMYXHFFXTOV-UHFFFAOYSA-N 414.552 4.667 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(CN3CCC(C)CC3)cc1)CC(C)(C)O2 44855567 TZXHAEFIIYGEQA-HSZRJFAPSA-N 422.569 4.959 0 40 HJAB Cc1c([C@H](C)NC(=O)CCOc2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 48326237 KJYVUIDJXZHQHY-HNNXBMFYSA-N 417.431 4.846 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)Cn1c(-c2cccc(Cl)c2)nc(C)c(C)c1=O 57528084 NIAVBROZLZQWMU-UHFFFAOYSA-N 416.308 4.781 0 40 HJAB CCCOc1c(Cl)cc(C(=O)NC[C@H](c2ccco2)N(CC)CC)cc1OC 58054676 SCDVRZJECUXTRE-QGZVFWFLSA-N 408.926 4.543 0 40 HJAB Cc1cc(=O)[nH]c(-c2cccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c2)n1 58363208 AVWCJBZZLIOSJZ-UHFFFAOYSA-N 423.538 4.594 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(I)cc2)ccc1Cl 64982282 DGBMPYBNHNKXNJ-NSHDSACASA-N 415.658 4.659 0 40 HJAB Cc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1C 67209134 KRZJSSPSJQYIHJ-UHFFFAOYSA-N 421.547 4.795 0 40 HJAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3C(C)C)ccc1OCc1c(C)noc1C 71280786 LAHBHAINEJWCNS-INIZCTEOSA-N 410.474 4.780 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@H](c3nccnc3-c3ccc(F)cc3)C2)cc1 72358791 QQTVSZPERPVARI-FQEVSTJZSA-N 419.500 4.630 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cc1 72359632 YZNGKFYHPRNZPF-LJQANCHMSA-N 421.928 4.754 0 40 HJAB CC(C)Nc1cccc(CNC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1 79073118 MDAYQYWWONFKCF-UHFFFAOYSA-N 408.546 4.845 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cccnc2S3)cc1 96232599 QRILXQKCMMKSHT-UHFFFAOYSA-N 419.506 4.862 0 40 HJAB COc1ccc(CN(C(=O)c2cc3cnn(C(C)C)c3nc2C)C(C)(C)C)c(OC)c1 97101467 HVXQJAVTGATIIC-UHFFFAOYSA-N 424.545 4.779 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 219617388 FDBYYIYZUKVERM-OAHLLOKOSA-N 405.907 4.658 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSc1ccc(C)cc1 223086555 IJSDFYPRQAXZAB-QZTJIDSGSA-N 416.562 4.558 0 40 HJAB S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1cnc(Br)cn1 223915665 IASOLUQELCBILA-UHFFFAOYSA-N 423.723 4.639 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 225478364 NIVCEFAVBVNVKA-ZJSXRUAMSA-N 424.585 4.876 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 225524980 KMNLIPNMGLFBPR-REWPJTCUSA-N 424.585 4.713 0 40 HJAB CCOC(=O)c1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 408618076 BVMMIJGPJBDMKH-ZBWQPJPKSA-N 405.494 4.946 0 40 HJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc(Br)cc1 408731871 QHOGMIZHADELPK-GOSISDBHSA-N 415.287 4.557 0 40 HJAB CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)c(C)c1 409215241 VXLMQSCBQVLHPD-UHFFFAOYSA-N 414.962 4.823 0 40 HJAB CCOC(=O)C1=CN(c2ccc(C)cc2)C=C(C(=O)OCC)C1c1cccc(F)c1 710685 NWVIFZBUVHRUBH-UHFFFAOYSA-N 409.457 4.632 0 40 HJAB CC(C)(C)[C@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)Nc3cccnc3Cl)cc2N1 1009270 MAEAIWSKYLJDKN-NEPJUHHUSA-N 401.820 4.518 0 40 HJAB O=S(=O)(NCc1cc(-c2ccc(Cl)cc2)no1)c1cc(Cl)ccc1Cl 1393823 AHZDVPKMOQQEBS-UHFFFAOYSA-N 417.701 4.780 0 40 HJAB Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1C1CCCCC1 2410947 UBZZTLXEPYJGOR-UHFFFAOYSA-N 412.540 4.566 0 40 HJAB CN(C)CC(C)(C)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3221865 NSBIVXRMAHKJKT-UHFFFAOYSA-N 410.949 4.510 0 40 HJAB O=C(OCc1nnc(-c2ccccc2Br)o1)c1c(F)cccc1Cl 3382692 JIRLIHADXSAUKH-UHFFFAOYSA-N 411.614 4.649 0 40 HJAB CCc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1 4341744 FJWIIQROWYOQBE-UHFFFAOYSA-N 417.538 4.726 0 40 HJAB O=C(CN1CCCCC1)Nc1sc2c(c1C(=O)c1ccccc1Cl)CCCC2 4847596 GSSYLJAYCHNZMC-UHFFFAOYSA-N 416.974 4.936 0 40 HJAB CN(C)C[C@H](CCCC[C@H](CN(C)C)C(=O)c1ccccc1)C(=O)c1ccccc1 4871769 VSMBPTAACRCDOF-PSWAGMNNSA-N 408.586 4.668 0 40 HJAB O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccccc1C(=O)c1ccccc1 5365654 BVEIMRHMUGJSRV-UHFFFAOYSA-N 419.502 4.810 0 40 HJAB Cc1ccc(C(=O)N(Cc2ccc(Cl)cc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 5625972 AAKIPGZJSVZMSC-UHFFFAOYSA-N 417.896 4.728 0 40 HJAB Cn1c(SCC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)nnc1C1CC1 6129715 OAISPXVAEPAUQV-UHFFFAOYSA-N 402.523 4.826 0 40 HJAB Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](C)CCc4ccccc4)c(C)c3cc12 6623815 DALYDAZGUYAUHE-INIZCTEOSA-N 403.478 4.836 0 40 HJAB biogenic CCN(CC)c1ccc(NC(=S)NC(=O)c2ccccc2Br)c(C)c1 6629958 NNTZKCCCDSLKLJ-UHFFFAOYSA-N 420.376 4.731 0 40 HJAB O=C(COc1ccccc1Cl)N(Cc1cccs1)c1ccc2c(c1)OCCO2 8189689 BYSWZDOKPVWMAM-UHFFFAOYSA-N 415.898 4.785 0 40 HJAB O=C(NCCc1c[nH]c2ccccc12)c1c(-n2cccc2)sc2c1CCSC2 8312477 WIMNIHXXEKAKMD-UHFFFAOYSA-N 407.564 4.782 0 40 HJAB Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc2c(c1)OCCO2 9096186 ZGXYXTJWCGXFCQ-UHFFFAOYSA-N 408.310 4.852 0 40 HJAB CC1=Nc2ccccc2N=C(NC(=O)CSc2ccccn2)[C@H]1c1ccccc1 9306835 KTJPUYLSFVQVKU-JOCHJYFZSA-N 400.507 4.910 0 40 HJAB Cc1ccc(NC(=O)[C@H](Sc2nnnn2Cc2cccs2)c2ccccc2)cc1 9711860 FFGMDZVGZIBKKE-LJQANCHMSA-N 421.551 4.563 0 40 HJAB CCc1cccc(OCC(=O)Nc2ccc(C(=O)c3c(C)nc4sccn34)cc2)c1 9913390 RUGIXEQUSOHZLW-UHFFFAOYSA-N 419.506 4.515 0 40 HJAB CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 10252642 XUSZYFZWWDRBOY-UHFFFAOYSA-N 422.531 4.548 0 40 HJAB Cc1ccc(Nc2oc3c(c2-c2cccc(Cl)c2)c(=O)n(C)c(=O)n3C)c(C)c1 11614584 CNMNFHUIBBTZKN-UHFFFAOYSA-N 409.873 4.511 0 40 HJAB CC(C)c1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c(C(C)C)c1 12262350 DUFNUDZEHHDZGA-UHFFFAOYSA-N 400.544 4.726 0 40 HJAB C[C@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCC[C@@H]1c1cccn1C 12788606 XGOLHSORZMIRMQ-DNVCBOLYSA-N 404.539 4.888 0 40 HJAB CC[C@@H](C(=O)Nc1nc(-c2ccc(CCNC(C)=O)cc2)cs1)c1ccccc1 12860101 LXQRVCQGDBKOKK-HXUWFJFHSA-N 407.539 4.621 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)COc2ccc(Br)cc2Cl)cc1 12887495 HFFDTPVTQQSTHP-QGZVFWFLSA-N 424.722 4.854 0 40 HJAB Cc1ccc(-c2cnc(CCC(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)o2)cc1 12917539 YSNQTLNKIIRZKP-UHFFFAOYSA-N 419.525 4.605 0 40 HJAB COc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccc(F)c(F)c3)cs2)cc1OC 12972319 KPSWRMYQXSXGRL-NSHDSACASA-N 404.438 4.597 0 40 HJAB Cc1ccc(OCC(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1C 16312616 DBRUUVHHMLCQBH-UHFFFAOYSA-N 419.959 4.767 0 40 HJAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)c(F)c2)c1 17249788 DCGQIKIPPCPYDG-UHFFFAOYSA-N 422.485 4.930 0 40 HJAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)[C@@H](C)c3ccccc3)CC1)N2 19128429 HYHVJMUOXVEPMX-ZYSHUDEJSA-N 420.479 4.521 0 40 HJAB COc1ccc(CN(Cc2cccnc2)C(=O)c2cc3cc(F)ccc3n2C)cc1 19289728 KARPTEIHZJKTDM-UHFFFAOYSA-N 403.457 4.564 0 40 HJAB Cc1ccccc1NC(=O)c1sc2ncn(CCc3ccccc3)c(=O)c2c1C 19644888 DGCITZSBLHBFHZ-UHFFFAOYSA-N 403.507 4.570 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccccc1C(C)C 20061797 CEQUHILOXITZDI-UHFFFAOYSA-N 414.571 4.791 0 40 HJAB O=C(Cc1ccc(O[C@@H]2CCCCO2)cc1)c1ccc(O[C@H]2CCCCO2)cc1O 21982288 OWTDXASPDWYLTG-RPWUZVMVSA-N 412.482 4.628 0 40 HJAB C[C@@H]1CCCN([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 22852559 RMHJLCAYZVGRSG-DOMZBBRYSA-N 400.529 4.639 0 40 HJAB O=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccc2[nH]nnc2c1 25180228 MMUROCRBJRWLCK-KRWDZBQOSA-N 415.884 4.655 0 40 HJAB C[C@H](OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)N1CCCc2ccccc21 26412255 IYAKCUFZXKIFJP-INIZCTEOSA-N 424.497 4.558 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1cnn(Cc2ccc(Br)cc2)c1 27920890 PXSJWCZUKRIURV-UHFFFAOYSA-N 420.694 4.608 0 40 HJAB Cc1c(C(=O)OCC(=O)N2CCCCCCC2)sc2nc(C(F)(F)F)ccc12 31480603 MOYIFZXWYDQBDU-UHFFFAOYSA-N 414.449 4.573 0 40 HJAB O=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1N1CCc2ccccc2C1 35373017 RCJVQFMXWTYHGQ-UHFFFAOYSA-N 416.502 4.737 0 40 HJAB O=C1CC[C@@]2(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)Sc3ccccc3N12 40018319 ZTWZCLISFCZDKV-QHCPKHFHSA-N 422.506 4.686 0 40 HJAB CCCC[C@]1(CC)CS(=O)(=O)c2cc(OC)c(OC)cc2[C@@H](c2ccccc2)N1 53040038 CKFWDLFFXXVSBJ-DHIUTWEWSA-N 417.571 4.509 0 40 HJAB investigational Cc1oc(-c2cccs2)nc1Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O 64977406 HKYLXXCXTXILFW-UHFFFAOYSA-N 422.897 4.890 0 40 HJAB C[C@H](NC(=O)c1nnn(-c2ccccc2Cl)c1-c1cccnc1)c1ccc(F)cc1 67261294 JYUITEPUBXXLCM-AWEZNQCLSA-N 421.863 4.613 0 40 HJAB CC1(C)Cc2cc(CN3CCC[C@@H]3c3cncc(Nc4ccccn4)n3)ccc2O1 72376397 WBYJBXVYAPNIRI-HXUWFJFHSA-N 401.514 4.666 0 40 HJAB COc1cccc2cc(C(=O)NC[C@](C)(O)c3ccc(-c4ccccc4)cc3)oc12 77184180 QWDSFOCYXNLKKT-VWLOTQADSA-N 401.462 4.746 0 40 HJAB C[C@H](c1nc2ccccc2o1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 95465887 NBHFTRJDQLSCMC-CYBMUJFWSA-N 404.297 4.654 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3cccc4cccc(OC)c34)C2)c(OC)c1 96118939 BCCZSPJVICYOBD-OAQYLSRUSA-N 404.466 4.563 0 40 HJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 96237064 KRUZNWIBWHRQQO-QGZVFWFLSA-N 401.919 4.919 0 40 HJAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 100912362 XDFUWSLMORUIPV-SGNDLWITSA-N 412.489 4.663 0 40 HJAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)cc1 102750785 AFZQLWRVIQBPGG-BHIFYINESA-N 418.880 4.700 0 40 HJAB CCOC(=O)c1cn(Cc2cccc(Cl)c2)c2cc(C(F)(F)F)ccc2c1=O 199731242 FPDFRDSCEHVMDD-UHFFFAOYSA-N 409.791 4.899 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219321721 QJLYUZJILYEYCE-MSOLQXFVSA-N 403.906 4.925 0 40 HJAB CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 219999264 ACGQXYSHKRKMDG-UHFFFAOYSA-N 414.571 4.702 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222994356 YLVAJIFRHSHYFO-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223274533 JHDUOFKLQUMINE-DEOSSOPVSA-N 424.585 4.598 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 224369421 ZRRAUIUPESBJRE-HSZRJFAPSA-N 410.533 4.625 0 40 HJAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NCC(C)C)cc1 224967451 OOCWYVIYCXXMLW-VWLOTQADSA-N 422.613 4.804 0 40 HJAB CCCSc1nnc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)s1 225482965 VEIMRGIXRRCEPV-UHFFFAOYSA-N 410.996 4.544 0 40 HJAB O=C1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1c1ccccc1 239287385 CRLQJTSACHTAGF-HPQIJTKRSA-N 403.525 6.209 0 40 HJAB CCn1ncc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)c1C 253508546 VKRFPVDWWWRUGS-BQOCWAMSSA-N 410.602 4.889 0 40 HJAB COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1NC(=O)c1ccccc1 408554116 ZNMXTARPSGPLEU-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB COc1ccccc1/C=C(\Sc1nnc(-c2cc(Cl)ccc2OC)o1)C(=O)O 408633423 MWTPEPKMKQBDMS-SXGWCWSVSA-N 418.858 4.625 0 40 HJAB CC[C@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703982 HUJOLTKVIXYITP-LHSJRXKWSA-N 402.947 4.643 0 40 HJAB CCCOC(=O)c1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1 408729500 BRLADDQXCDLJLX-IUXPMGMMSA-N 405.784 4.530 0 40 HJAB COc1ccc(-c2s/c(=N\C(=O)c3ccco3)n(C)c2-c2ccc(OC)cc2)cc1 409207059 ZSDTXVHVPRRNET-VHXPQNKSSA-N 420.490 4.772 0 40 HJAB O=C(CCCc1ccc2c(c1)CC(=O)N2)Nc1ccccc1COc1ccccc1 524709627 RCDCIPSZYYOAHP-UHFFFAOYSA-N 400.478 4.722 0 40 HJAB CCCN1CCCCCCN(C(C)=O)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643581856 DVUUXTJILLPSAT-GGAORHGYSA-N 400.563 4.651 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc(Br)cc2)cc(C)c1Br 627890 IYZVDGGMUROLAU-UHFFFAOYSA-N 413.109 4.846 0 40 HJAB COc1cccc(-c2nn3c(-c4ccc(C(F)(F)F)cc4)nnc3s2)c1OC 632738 ZODZUKTXKMBNHJ-UHFFFAOYSA-N 406.389 4.556 0 40 HJAB O=C(N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl)c1ccco1 823823 PNMBVJSRKQFMLF-GFCCVEGCSA-N 401.599 4.837 0 40 HJAB COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2cccc(Cl)c2)c1C 872022 BPCPUNCHSMVSIS-UHFFFAOYSA-N 418.858 4.594 0 40 HJAB O=C(NCCOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 1807689 YWFMUUUPXVZCEB-UHFFFAOYSA-N 407.080 4.887 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(c1ccccn1)C3=O 2345658 IRFFSRYFEAIRSS-FQEVSTJZSA-N 402.837 4.900 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)Nc1ccc(Cl)cc1 2389684 DQSWWKNMJOBXGP-UHFFFAOYSA-N 414.874 4.564 0 40 HJAB CCCc1nc2sc3c(NCCCOC)nc(SC)nc3c2c2c1CCC2 2424949 VPZABRPWDWJPML-UHFFFAOYSA-N 402.589 4.851 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cccc(OC)c1 2453859 LFLCFFJFOQMQIF-UHFFFAOYSA-N 416.934 4.666 0 40 HJAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 3216298 UHUTXRWLSFGZEL-UHFFFAOYSA-N 407.853 4.675 0 40 HJAB CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(Nc2ccccc2F)s1 3251200 KCKGFKUGPITDRO-UHFFFAOYSA-N 416.547 4.950 0 40 HJAB COc1ccc(NC(=O)COc2ccc3cc(Br)ccc3c2)cc1OC 3430408 ZAOUIBIZDYPAST-UHFFFAOYSA-N 416.271 4.637 0 40 HJAB CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 4549020 VBXUANHQGDGFQV-AWEZNQCLSA-N 406.983 4.966 0 40 HJAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc2ccccc2c1 4648709 NLRQZBRTLKLGSZ-UHFFFAOYSA-N 418.522 4.761 0 40 HJAB COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)cc1 4936168 WEEKWKDFVFTXHP-NRFANRHFSA-N 406.482 4.591 0 40 HJAB CO[C@@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2S[C@@H]21 4945783 JORMVECOVONDLI-NEWJYFPISA-N 404.531 4.850 0 40 HJAB CCC(C)(C)NC(=O)[C@H](c1cccc(C)c1)N(C(=O)c1csnn1)c1ccccc1 4964619 YRTZCBOLZFGDTJ-FQEVSTJZSA-N 422.554 4.539 0 40 HJAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCCc4ccc(F)cc4)c(C)c3cc12 5235693 SGWKBYAFFGMDHP-UHFFFAOYSA-N 421.468 4.895 0 40 HJAB O=C([C@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1)N1CCCCC1 5278145 SRVHFYMGUSHSFK-OAQYLSRUSA-N 418.566 4.991 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 5309451 IDUBNASHMJATDN-UHFFFAOYSA-N 416.934 4.748 0 40 HJAB CNC(=S)Nc1cc(OC)c(OC)cc1C(c1ccc(C)o1)c1ccc(C)o1 5337701 NTUPUDHXPFJQAX-UHFFFAOYSA-N 400.500 4.603 0 40 HJAB biogenic CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2C)o1 5478623 OWELNRHAQNKGPQ-HNNXBMFYSA-N 409.577 4.989 0 40 HJAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccc(F)c(F)c1F 6038256 GAYBGZSSPXXGNE-UHFFFAOYSA-N 400.356 4.643 0 40 HJAB O=c1cc(CSc2nc(-c3cccs3)nc3ccccc23)nc2sccn12 6561167 ANQWTKUFJGACHQ-UHFFFAOYSA-N 408.533 4.720 0 40 HJAB CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC(=O)c1ccc(C)cc1 6605912 DNTLGHRLKSLHDK-UHFFFAOYSA-N 400.434 4.516 0 40 HJAB COc1cccc(-n2cnn(CN(C)Cc3ccc(Cl)c(Cl)c3)c2=S)c1 7100677 FWXDDPIUJXKTLH-UHFFFAOYSA-N 409.342 4.808 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(OCc4ccccc4)cc3)n2)cc1 7781110 CCXXFTNDJITGHL-UHFFFAOYSA-N 413.477 4.896 0 40 HJAB COc1ccc([C@H](CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)NC(C)=O)cc1 8132427 NULVYMFKNGSTJT-BVZFJXPGSA-N 416.521 4.807 0 40 HJAB Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c(C(N)=O)c(C)c1C 8704916 FZIQUXAVAUVURR-KRWDZBQOSA-N 419.550 4.892 0 40 HJAB COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)cc1 9410416 BACLCLWSXIOKNZ-ZBFHGGJFSA-N 422.432 4.866 0 40 HJAB CCCCc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N3CCOCC3)n2)cc1 9708896 VVZMWAIPVQESOW-UHFFFAOYSA-N 418.545 4.846 0 40 HJAB COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)C3CCCCC3)nc12 10187672 PPLFSZJDHCYHJK-UHFFFAOYSA-N 411.527 4.822 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 11094162 VLARLPYJLMHPJI-VFNWGFHPSA-N 402.922 4.734 0 40 HJAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)CSc3ccncc3)no2)cc1 12143923 BNWUBPKLLFWRQZ-OAQYLSRUSA-N 423.538 4.981 0 40 HJAB O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 12521097 IXALHVLHGNABSL-UHFFFAOYSA-N 401.875 4.785 0 40 HJAB O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1 12801457 LGJKYTVCUSBWKN-VOTSOKGWSA-N 417.336 4.562 0 40 HJAB CCc1ccc(-c2nc(C)c(C(=O)N(C)CC(=O)Nc3ccccc3CC)s2)cc1 12863832 DCDZRDIDRJGCOK-UHFFFAOYSA-N 421.566 4.954 0 40 HJAB Cc1ccc([C@@H](NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c2ccccc2)cc1C 12998496 HBJJBRPMUSQLKX-UPVQGACJSA-N 416.521 4.654 0 40 HJAB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1sc2ccccc2c1Cl 13568959 CJPCBALUELASKB-UHFFFAOYSA-N 411.899 4.973 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Oc2ccc3ccccc3c2)CC1 13708507 APXNQBCDDPCMQR-GOSISDBHSA-N 408.929 4.918 0 40 HJAB COc1ccc([C@H]2CCCN2Cn2ncn(CCc3cccs3)c2=S)cc1 14210690 OCKBQTPLUKZFOH-LJQANCHMSA-N 400.573 4.521 0 40 HJAB COc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(F)c4)nccn3n2)cc1 17121045 LOEACBGWLKJZKH-UHFFFAOYSA-N 422.485 4.583 0 40 HJAB Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)CCc3ccccc3)cc2)on1 19123855 UJQFGIQPBIXWBR-UHFFFAOYSA-N 412.493 4.664 0 40 HJAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCCC[C@H]1CCN1CCCC1 19376047 UQHDTZZQEAFGMH-NRFANRHFSA-N 414.553 4.777 0 40 HJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3Cc3cccnc3)cc2N1 19451224 NVAKIUQHADPTNX-YTQUADARSA-N 407.484 4.949 0 40 HJAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)Cc3ccccc3OC)c2)cc1 19691362 VPYSZRBYAADRBG-DEOSSOPVSA-N 416.521 4.980 0 40 HJAB CCOC(=O)c1cc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)ccc1Cl 20452346 XZZTUXIWFJWHAE-UHFFFAOYSA-N 422.717 4.765 0 40 HJAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)COc1ccccc1F 20611020 SHKPROYCJFDWGN-UHFFFAOYSA-N 410.836 4.539 0 40 HJAB O=C(O)/C=C/c1cc(Br)cc(Br)c1OCc1ccccc1 22077357 KTDZUOVAUCFEGF-VOTSOKGWSA-N 412.077 4.888 0 40 HJAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc(Cl)cc1 23499460 XSBHIPIHJUUJKL-VGOFRKELSA-N 406.913 4.559 0 40 HJAB Cc1cccc(OCC(=O)Nc2cc(-c3ccc(Br)cc3)no2)c1C 27743961 FCISZBGOABKZTE-UHFFFAOYSA-N 401.260 4.738 0 40 HJAB COc1cc(C(=O)N2CCc3sccc3[C@@H]2C)ccc1OCc1cscn1 32424486 RLWVIGYPCPFKQS-ZDUSSCGKSA-N 400.525 4.552 0 40 HJAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1 32760264 JNKPPDAPXYHTFJ-NRFANRHFSA-N 411.461 4.738 0 40 HJAB CCOc1ccc(-c2noc(CSc3nccn3-c3cccc(OC)c3)n2)cc1 33278097 NBOIBYISKHRDBZ-UHFFFAOYSA-N 408.483 4.622 0 40 HJAB O=C(NCc1ccco1)[C@H](c1ccco1)N(C(=O)c1cccs1)c1cccc(F)c1 35315066 PGLSUUAHTHIVSS-FQEVSTJZSA-N 424.453 4.778 0 40 HJAB Cn1c(C2CCC(CNC(=O)c3cc(-c4ccco4)on3)CC2)nc2ccccc21 38671744 VAXLQYXEEFMRHB-UHFFFAOYSA-N 404.470 4.525 0 40 HJAB Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccccc2OCC(F)(F)F)cs1 40132370 JBZYTQKAOBNJTI-UHFFFAOYSA-N 409.433 4.673 0 40 HJAB C[C@H]1CCc2c(sc3nc(-c4ccc(-c5cccc(C(=O)O)c5)o4)[nH]c(=O)c23)C1 41076807 FZWUSULSNNVZNY-NSHDSACASA-N 406.463 4.735 0 40 HJAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(Cc1ccncc1)CO3 57405718 DERHFDCYOGUVIK-UHFFFAOYSA-N 412.489 4.748 0 40 HJAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1cc(F)ccc1F 57486713 LRQDSSSRAVYGPL-UHFFFAOYSA-N 414.799 4.775 0 40 HJAB O=C(NCC1(c2ccc(Cl)cc2)CCCC1)c1nc(N2CCCC2)ncc1Cl 65767546 VDDOGMNWFZNSHZ-UHFFFAOYSA-N 419.356 4.625 0 40 HJAB CCOc1ccc2ccccc2c1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 95348682 ZRIHDJKALVVFLC-OALUTQOASA-N 405.542 4.537 0 40 HJAB COc1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)c3cc(OC)ccc32)cc1 102942226 INCRLLGLLXCTLN-HZHRSRAPSA-N 414.461 4.652 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 222458952 KFSGNKVDQQFTNP-QFIPXVFZSA-N 412.599 4.728 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 222527741 KMDQNHYVHZHGET-QGZVFWFLSA-N 400.950 4.559 0 40 HJAB CC(C)(C)c1ccccc1OCCNS(=O)(=O)Cc1c(Cl)cccc1Cl 223702700 XMOFUFVRLOAFGA-UHFFFAOYSA-N 416.370 4.789 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1cccc(Cl)c1 224147923 LFTUWLMEMQSWFO-UHFFFAOYSA-N 411.841 4.909 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Cl 224556771 VLPIGRSWQZQSIA-UHFFFAOYSA-N 406.935 4.968 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 225085683 NOERQWJLPPHPLJ-RTBURBONSA-N 414.977 4.913 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1 225458990 JHJDGFXUPSGJIL-SIKLNZKXSA-N 412.599 4.642 0 40 HJAB C[C@@H](CCc1ccccc1)NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225805835 SSEDCBYFDCGZAW-HNNXBMFYSA-N 417.431 4.826 0 40 HJAB CCC1(CC)C[C@@H](NS(=O)(=O)c2c(C)cc(OC)cc2C)c2ccccc2O1 225864833 KYJOAMDILVJJME-LJQANCHMSA-N 403.544 4.673 0 40 HJAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c(C)c1 408661206 DWNGXSGTYREANB-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 409376661 CIEIROLBNYGTKD-UHFFFAOYSA-N 420.509 4.950 0 40 HJAB COC1CCN(c2nnc(-c3cccc4ccccc34)n2Cc2cccs2)CC1 670318751 UGXMFPQXUZPTPN-UHFFFAOYSA-N 404.539 4.823 0 40 HJAB CCc1cccc(C)c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 1104167 NFBGCBHJDSQCJB-JOCHJYFZSA-N 422.550 4.502 0 40 HJAB C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)c2C(N)=O)C1 1940136 VZRYSKOMNXQYKL-LJJSCBMDSA-N 409.338 4.931 0 40 HJAB c1ccc(Cn2c(SCc3nnc(-c4ccccc4)o3)nnc2-c2ccco2)cc1 2618985 KZVRMISKHRUGRW-UHFFFAOYSA-N 415.478 4.929 0 40 HJAB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N3CCc4ccccc4C3)s2)c1C 2622473 BWZDMHLNNOECRK-INIZCTEOSA-N 424.595 4.964 0 40 HJAB COc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)c1 2703880 BTBMQHMEWWJQQT-IBGZPJMESA-N 418.474 4.625 0 40 HJAB COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2N=CNC2=N3)cc1 2915196 RYTVXORPJAHTBO-RPBOFIJWSA-N 422.488 4.808 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)c3ccc4c(c3)OCCO4)s2)cc1C 3291836 YZHXVNAGAPLOQH-UHFFFAOYSA-N 413.524 4.645 0 40 HJAB CCCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O 4134064 UFWSOCCMPSTUQO-UHFFFAOYSA-N 423.582 4.522 0 40 HJAB O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 4168376 BZDAXARBZUSXCH-PVKWZWHCSA-N 402.538 4.892 0 40 HJAB Cc1ccc(-c2cnc(SCCNC(=O)c3cccc(Br)c3)[nH]2)cc1 4315424 KIMNFLWSDNXNEY-UHFFFAOYSA-N 416.344 4.670 0 40 HJAB COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 4607885 QJHXJUIYJIZIEO-UHFFFAOYSA-N 409.711 4.964 0 40 HJAB COc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)C(C)C)c2ncnn21 4816961 PWHWRKZQKGDSNU-MOPGFXCFSA-N 410.905 4.664 0 40 HJAB CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CCN(c4ccccc4)C[C@H]32)C(=O)C1 5274412 BHBAPXSKDZLDMO-NRFANRHFSA-N 422.956 4.536 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(Nc3ccccc3F)s2)c1 6051641 KERRFUJIAVLQHR-LBPRGKRZSA-N 416.503 4.743 0 40 HJAB Cc1cc(F)ccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C 6981413 ROOPEDFNVLIBBM-UHFFFAOYSA-N 413.518 4.621 0 40 HJAB Cc1cc(C(=O)OCC(=O)N[C@H](C)c2cc3ccccc3o2)c(C)n1Cc1ccco1 7550240 SFYKHAIFCJHELV-MRXNPFEDSA-N 420.465 4.527 0 40 HJAB CC(C)[C@H](NC(=O)Cc1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 7986456 CEZGQFGSIYRKCL-FQEVSTJZSA-N 408.502 4.882 0 40 HJAB COC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1 8471319 PPFJLOFUVSIKSA-UHFFFAOYSA-N 408.841 4.631 0 40 HJAB COc1cc(CNCc2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)cc1 8471521 PNAPELHQBQCVDW-UHFFFAOYSA-N 411.885 4.916 0 40 HJAB Cc1cccc(CS(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)c1 8961343 UYDHUVFUPPTZIU-UHFFFAOYSA-N 408.479 4.603 0 40 HJAB Cc1cc(C)c2nc(NC(=O)CSc3nnc(C)n3Cc3ccccc3)sc2c1 9051226 WGBLOJGXWZXYNK-UHFFFAOYSA-N 423.567 4.592 0 40 HJAB COc1cc(NC(=O)c2cc3c(s2)CCC3)c(OC)cc1NC(=O)c1ccccc1 9412796 RCWJABCZELZFBO-UHFFFAOYSA-N 422.506 4.759 0 40 HJAB COc1cccc(Nc2nc(NC3CCCC3)nc3c2cnn3-c2ccccc2)c1 9573608 UWIGGYUNHRGJRV-UHFFFAOYSA-N 400.486 4.922 0 40 HJAB O=C(CSc1nnc(-c2ccco2)o1)N[C@@H](Cc1ccccc1)c1ccccc1 9910531 QFVVFGBHVAVOQY-SFHVURJKSA-N 405.479 4.522 0 40 HJAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(OC(F)F)cc1 10662177 VZIVDHRDPXYLDO-UHFFFAOYSA-N 410.424 4.672 0 40 HJAB CC(C)c1cc(C(=O)NCc2coc(-c3cccs3)n2)c2cnn(C(C)C)c2n1 10879089 KFNMTIXQZXCOIZ-UHFFFAOYSA-N 409.515 4.782 0 40 HJAB Cc1ccc(O)c(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)N(CCCOC(C)C)C3=O)c1 11914979 KFQOOACZICENKI-HSZRJFAPSA-N 423.488 4.590 0 40 HJAB CCCCCNC(=O)CSc1nnc(COc2ccccc2C)n1-c1ccccc1 12511504 SWPOLTHAVQIEDR-UHFFFAOYSA-N 424.570 4.553 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2csc(-c3cccs3)n2)c1 12616202 VZOXELNPUFIWEI-INIZCTEOSA-N 400.525 4.866 0 40 HJAB Cc1sc2nc(-c3cccnc3)nc(N(C)CC(=O)Nc3cccc(F)c3)c2c1C 12782476 WVOWISQSQGOPMD-UHFFFAOYSA-N 421.501 4.584 0 40 HJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1cccc(C(F)(F)F)c1 12938124 VKAZQFSOZWDNGN-UHFFFAOYSA-N 408.401 4.851 0 40 HJAB CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)c1ccc(Cl)cc1)S2 13137851 MROHHNQPQZDDKZ-AEFFLSMTSA-N 419.337 4.789 0 40 HJAB C[C@@H]1c2ccsc2CCN1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 14066965 RFXRFOZITKDMBN-MRXNPFEDSA-N 400.507 4.755 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1cc2ccccc2o1 15019311 GOGZLMVYTQVVFC-UHFFFAOYSA-N 422.510 4.759 0 40 HJAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccccc3Oc3ccccc3)CC2=O)cc1 15963612 SEDPEKVMMLSRQJ-HXUWFJFHSA-N 400.478 4.775 0 40 HJAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc3ccccc3o2)c1 17161249 USBDPVWBGBNIEH-UHFFFAOYSA-N 401.875 4.562 0 40 HJAB aggregator CCOCCCNc1nc(Nc2cccc(C)c2)c2cnn(-c3ccccc3)c2n1 17306911 KXBKLRIZHIOJLO-UHFFFAOYSA-N 402.502 4.706 0 40 HJAB C[C@@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1cccc(C(F)(F)F)c1 18086644 VSHHOEHCLSYABE-GFCCVEGCSA-N 410.823 4.977 0 40 HJAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1C1C2CC3CC(C2)CC1C3 18268346 UHWQDCVMMPXUND-PJYWZAATSA-N 409.529 4.703 0 40 HJAB COc1ccc(C2(C(=O)N[C@H](C)c3nc4ccccc4n3C(C)C)CCOCC2)cc1 19661492 ZUHOPJFJGYAAER-GOSISDBHSA-N 421.541 4.551 0 40 HJAB O=C(COc1ccccc1F)N1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 19690334 DRFCABAQJIFNAJ-HXUWFJFHSA-N 422.475 4.736 0 40 HJAB O=C(Nc1ccccn1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20736084 NMFDNOLMVWWORB-HSZRJFAPSA-N 411.505 4.773 0 40 HJAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN[C@@H](C)c2cccs2)cc1 24985015 CLALINAOLFWYEJ-JTSKRJEESA-N 419.550 4.785 0 40 HJAB Cc1ccc(C(C)C)c(OCc2n[n+](C[C@@H](O)c3ccccc3)c3n2CCCCC3)c1 26441729 HBJXJWWZVRTLLE-HSZRJFAPSA-N 420.577 4.641 0 40 HJAB COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 29332592 CWOOGNYKYOGEAX-FOIQADDNSA-N 412.921 4.540 0 40 HJAB COc1ccc(CN(Cn2nc(C3CC3)n(C3CC3)c2=S)CC(F)(F)F)cc1 32909255 LQCNJWYKFPBTSD-UHFFFAOYSA-N 412.481 4.657 0 40 HJAB Cc1ccc(CSc2nc(CC(=O)N3CCn4c3nc3ccccc34)cs2)cc1 36709190 RXHGHZGKJVWFTB-UHFFFAOYSA-N 420.563 4.683 0 40 HJAB C[C@@H](c1ccccc1Cl)N1CCN(C(=O)Nc2ccccc2N2CCCC2)CC1 40103758 ZYWVAVRMWYSRFM-SFHVURJKSA-N 412.965 4.851 0 40 HJAB C[C@@H](c1ccc(Cl)cc1)N(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)C1CC1 40155732 SHUCLUKNTYWAJZ-CVEARBPZSA-N 411.933 4.629 0 40 HJAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCSCc3ccccc3F)cc2)C1 44909137 NISZUEVEARGAEG-SFHVURJKSA-N 400.563 4.721 0 40 HJAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1Cl 44939830 KFEOYCLDGTWTLK-MRXNPFEDSA-N 418.896 4.507 0 40 HJAB CC(=O)c1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)c1 64519377 VVLSCMPCGAJEKU-UHFFFAOYSA-N 407.436 4.504 0 40 HJAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)cc1C 67292754 TUIIKLXIEWVNNU-YXKKDJNZSA-N 410.901 4.844 0 40 HJAB COc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)c1 72359184 NDFNBMICZVVKGU-FQEVSTJZSA-N 419.500 4.630 0 40 HJAB CC1CCN(CC(=O)N2CCC[C@@H](c3[nH]c4ccccc4c3-c3ccncc3)C2)CC1 72396385 CMXMGZAFDBZNJY-OAQYLSRUSA-N 416.569 4.668 0 40 HJAB O=C(CSc1ccc(F)cc1)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1 77200361 CVRBUECIFBYOKD-QZTJIDSGSA-N 420.481 4.733 0 40 HJAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc(OCCc2ccccc2)cc1 95480328 IWHAAMKBNPGHLO-OAQYLSRUSA-N 423.538 4.803 0 40 HJAB CCCOc1c(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cccc1OC 100765900 RAZCJLOUWJERIA-SFTDATJTSA-N 411.542 4.507 0 40 HJAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)CCCc2nc3ccccc3s2)C1 102564883 HIIRPPRHVVUXLY-QMHKHESXSA-N 414.571 4.589 0 40 HJAB Cc1ccc(C)c([C@H](C)N[C@@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)c1 103242068 BOMDGRDQPRQHME-QTLGCAHFSA-N 420.578 4.599 0 40 HJAB C[C@H]1CN(Cc2ccccc2)C[C@@]1(CC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 219511348 JSZVHFKTUXLNHT-RXFWQSSRSA-N 423.553 4.600 0 40 HJAB CCCCc1ccc(NC(=O)[C@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 220571965 WRRLUURFXMJNNK-QFIPXVFZSA-N 416.587 4.829 0 40 HJAB COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1 222931949 JAIOHSZMQLDWAP-YADHBBJMSA-N 406.555 4.509 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 223808994 QHJBBLHJHZFWFS-OAQYLSRUSA-N 418.940 4.745 0 40 HJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(C)c(C(=O)OC)c3)ccc21 223824230 STAFKHZUEJTISX-UHFFFAOYSA-N 422.506 4.710 0 40 HJAB Cc1ccccc1[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)C(C)C 223929649 HHVIFUNPXLEDSQ-QHCPKHFHSA-N 422.550 4.923 0 40 HJAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 224541453 AVZNVFNVLIGMMH-XNTDXEJSSA-N 410.470 4.587 0 40 HJAB COC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccc(Cl)cc2)c1 225302687 YPJRWFIHDLCSQU-UHFFFAOYSA-N 408.976 4.655 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 225634803 QOEAEVGNOBVMSE-AVRDEDQJSA-N 414.977 4.913 0 40 HJAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 225789521 SMHLIYNVGNEWLL-UHFFFAOYSA-N 402.941 4.829 0 40 HJAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)N1CCCCCC1 225812706 HOCSAROUAKBSDB-UHFFFAOYSA-N 420.431 4.739 0 40 HJAB COc1ccc(NC(=O)C(C)(C)c2ccc(Cl)cc2)cc1C(=O)N1CCCC1 225959930 LRRKRDJETFTBMD-UHFFFAOYSA-N 400.906 4.501 0 40 HJAB CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2)CC1 408571741 DWVIOSQKIBCKSD-FYWRMAATSA-N 401.510 4.740 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc3ccccc23)cc1Cl 408662543 JPLQBPLEAIOKBK-UHFFFAOYSA-N 424.884 4.702 0 40 HJAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O 409020366 ONKSCLWQQHJFLL-DQPIFXJKSA-N 410.495 4.539 0 40 HJAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)cc2)C1=O 409102174 CYPPBVANEOPBFZ-LDADJPATSA-N 413.520 4.826 0 40 HJAB COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 409138854 IWOQTBUKZJIRAW-LDADJPATSA-N 403.887 4.602 0 40 HJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)NC12CC3CC(CC(C3)C1)C2 1775966886 LFQWORREHCLDKF-WRQGHLQJSA-N 402.585 4.778 0 40 HJAB Cc1ccc2c(c1)[C@H](N1CCOCC1)CC21CCN(C(=O)c2cccc(Cl)c2)CC1 2055738864 WJIXXESWODFMBR-HSZRJFAPSA-N 424.972 4.599 0 40 HJAB Cc1ccccc1[C@@H]1C[C@@]2(CC(C)(C)NC(=S)N2)Oc2cc(O)c(Cl)cc21 881900 IKPOGTNYNYLUHX-BTYIYWSLSA-N 402.947 4.611 0 40 HJAB Clc1ccc(N2CC=c3cc4c(cc3C2)=CCN(c2ccc(Cl)cc2)C4)cc1 1897783 VRNIHPJLDYVYNU-UHFFFAOYSA-N 407.344 4.595 0 40 HJAB O=C(CSc1nncs1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 2622333 GEWRRLBDNOXPKG-UHFFFAOYSA-N 403.341 4.699 0 40 HJAB O=S(=O)(Nc1ncnc2scc(-c3ccccc3)c12)c1ccc(Cl)s1 2659889 ZCPXBBCIWDTOQN-UHFFFAOYSA-N 407.929 4.874 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(F)c(F)c3)s2)cc1C 3286172 VFBLBHSLPLHKCH-UHFFFAOYSA-N 406.483 4.908 0 40 HJAB CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2)c1ccccc1 3302188 NAQLDWGSALOVBN-QGZVFWFLSA-N 402.494 4.570 0 40 HJAB CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1-c1ccccc1 3431340 AGRZFOIWHGRURR-UHFFFAOYSA-N 407.901 4.516 0 40 HJAB CCCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(C)cc3)c3ccccc32)cc1 4555247 NDKMNJNLMSHQMB-MHZLTWQESA-N 413.517 4.955 0 40 HJAB CCc1ccc2nc(Nc3ncc4c(n3)C[C@H](c3ccccc3)CC4=O)nc(C)c2c1 4777056 VRKHWXCJILMKGE-SFHVURJKSA-N 409.493 4.947 0 40 HJAB CCCc1nc(Nc2ccc(F)cc2F)c2nnn(Cc3ccccc3Cl)c2n1 4985472 WQOOMLXOXLLIKB-UHFFFAOYSA-N 414.847 4.897 0 40 HJAB CSc1nnc([C@H]2CCCN(C(=O)N(c3ccccc3)c3ccccc3)C2)n1C 5001410 XIZHUUDLIXVSNO-KRWDZBQOSA-N 407.543 4.675 0 40 HJAB Cc1c(CCC(=O)NCc2ccccn2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 5346349 GADGSZIJRVDKDB-UHFFFAOYSA-N 418.493 4.789 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)(C)C)cc3)n2C)cc1 5848985 JOGAHKNILZOVPD-UHFFFAOYSA-N 410.543 4.519 0 40 HJAB Cc1ccc2nc(CSc3nnc(-c4ccco4)n3C3CCCCC3)cc(=O)n2c1 5866567 IEJSYACKKGMURF-UHFFFAOYSA-N 421.526 4.652 0 40 HJAB Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(Cl)c1 6146674 YHGOHJWHTPDWRG-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc2c(c1)CCC2 7777199 PZZAYFGGCNHQHY-UHFFFAOYSA-N 409.917 4.858 0 40 HJAB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1c(CC)cccc1CC 7939852 BLRAGDOHDZDPFT-UHFFFAOYSA-N 424.541 4.665 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(OCc3ccccc3)cc2)c(C)c1 8087270 XUEXBEYTHRMXCP-UHFFFAOYSA-N 416.521 4.902 0 40 HJAB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@H]1NC(=O)c2ccccc2N1 8703985 FKKSVHHITFMCTH-JOCHJYFZSA-N 414.440 4.966 0 40 HJAB O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1cccc2ccccc12 8897421 PEVCREDOVSWXFG-UHFFFAOYSA-N 421.547 4.747 0 40 HJAB CCOc1ccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 9136192 BOCFUMKVGDEQGS-UHFFFAOYSA-N 414.505 4.746 0 40 HJAB COc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4cc(C)ccc4cc23)cc1OC 9359015 MGAZWNSHQJZWIS-UHFFFAOYSA-N 418.497 4.818 0 40 HJAB CC(C)(C)c1ccc(OCCCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 9836374 IQEYLXIKAPKZTN-UHFFFAOYSA-N 422.569 4.564 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccco1 9864799 UYDBKGVOITUPRP-MRXNPFEDSA-N 416.506 4.768 0 40 HJAB Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 9903756 DVKDHOGTFRNWNT-UHFFFAOYSA-N 424.522 4.594 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 10449883 GEMCNTGKGLELOW-FYSMJZIKSA-N 418.518 4.645 0 40 HJAB Cc1cc(C)nc(Sc2ccc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cc2)n1 11287983 TUTFPRQOCJCLNK-IBGZPJMESA-N 411.914 4.840 0 40 HJAB O=C(NCC(=O)N1CCC(CCc2ccccc2)CC1)c1ccc(Cl)cc1Cl 11453403 QNEVLPLTBAXADN-UHFFFAOYSA-N 419.352 4.595 0 40 HJAB CCCCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C(C)C 11565914 VSFSUHMQNRXVAZ-UHFFFAOYSA-N 405.516 4.878 0 40 HJAB COc1ccccc1[C@H](CNC(=O)c1cc(-c2ccccc2)on1)N1CCC(C)CC1 11905338 ARHGKSMRRXZRQJ-QFIPXVFZSA-N 419.525 4.553 0 40 HJAB COc1ccccc1CN(Cc1ccco1)C(=O)C1=C(c2ccccc2)SCCO1 12389808 KQUZHMLUCKJSSS-UHFFFAOYSA-N 421.518 4.949 0 40 HJAB N#CCS/C(Nc1cccc(F)c1)=C(/C#N)C(=O)c1ccc(Br)cc1 12428778 HVWOKOLMBDQDBC-VLGSPTGOSA-N 416.275 4.875 0 40 HJAB CCc1ccc(N2C[C@@H](C(=O)N(c3ccccc3)c3nc(C)cs3)CC2=O)cc1 12792098 RBAIXPJKTDQSCI-SFHVURJKSA-N 405.523 4.732 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc(OC(F)F)cc3)CCCC2)c1 12811222 YJPKQAQSPSVMAY-UHFFFAOYSA-N 423.481 4.630 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)c3c2C(=O)C[C@@H]3C)c(Br)c1 12996569 BHROIDAAVOIZBG-NWDGAFQWSA-N 420.278 4.993 0 40 HJAB CC(=O)N/C(=C\c1ccccc1C)C(=O)Nc1ccc(OCCc2ccccc2)cc1 14668942 QWMPFURLGQMCFW-BWAHOGKJSA-N 414.505 4.732 0 40 HJAB Cc1cccc(OCc2nc3ccccc3n2C[C@@H](O)COc2cc(C)cc(C)c2)c1 15860772 MDZJKSUMOZYJBX-OAQYLSRUSA-N 416.521 4.980 0 40 HJAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccccc1Br 17092572 WKMWSRBQVHLWDP-UHFFFAOYSA-N 421.250 4.502 0 40 HJAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCCN(C)c2nc3ccccc3nc21 17364723 GOWOMCXEXLEOJV-UHFFFAOYSA-N 415.522 4.548 0 40 HJAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN(Cc4cccnc4)C3)cc2n1 19452284 IPERPZIYARYTCB-MRXNPFEDSA-N 403.452 4.646 0 40 HJAB CC(=O)Nc1sc(C)c(C)c1C(=O)N1CCC[C@@H](c2cc3ccccc3cn2)C1 19559618 HSSLGSUCTZLHCG-LJQANCHMSA-N 407.539 4.891 0 40 HJAB Cc1ccc2c(C)nc(Nc3nc(C)c(Cc4ccc(Cl)cc4)c(=O)[nH]3)nc2c1 20673293 PLZSGFFCEYCGBP-UHFFFAOYSA-N 405.889 4.626 0 40 HJAB COc1ccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 21959595 UYEMZKXKPBFGSL-UHFFFAOYSA-N 422.475 4.521 0 40 HJAB Oc1c([C@H](c2ccc(Cl)cc2)N2CCCC2)sc2nc(-c3ccco3)nn12 22851926 OEPXBZLJLKNZOU-HNNXBMFYSA-N 400.891 4.595 0 40 HJAB O=S(=O)(CCSc1nc2cc(F)c(F)cc2[nH]1)c1cc(Cl)ccc1Cl 27080537 LGZOFXNPRQWJKW-UHFFFAOYSA-N 423.293 4.714 0 40 HJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)n1 27970384 HXCKTKOLQBGONA-UHFFFAOYSA-N 402.267 4.702 0 40 HJAB CCCOc1c(Cl)cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1Cl 32594015 GKPRBRIJYNGOQK-KRWDZBQOSA-N 411.329 4.942 0 40 HJAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(NC(=O)Nc2ccccc2)cc1 32904213 AAZKOMWAXQGHNP-UHFFFAOYSA-N 403.438 4.631 0 40 HJAB COc1ccc2nc(NC(=O)CCc3c(C)c4ccc(C)cc4oc3=O)sc2c1 40012148 KFUKCTWTIHYOBU-UHFFFAOYSA-N 408.479 4.599 0 40 HJAB Cc1cccnc1NC(=O)C1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 40149376 BFWZCJBOVJAXBW-UHFFFAOYSA-N 423.520 4.855 0 40 HJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 44901472 HBCDFSATXXNFGV-JOCHJYFZSA-N 406.482 4.623 0 40 HJAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)Nc3cccc(C(C)C)c3)c(C)nc12 49004088 WTBBBGWJQBSUBQ-UHFFFAOYSA-N 420.538 4.694 0 40 HJAB O=C(CCCn1cnc(-c2ccccc2)cc1=O)Nc1nc2ccc(Cl)cc2s1 49028179 HOQZYACORMROPP-UHFFFAOYSA-N 424.913 4.592 0 40 HJAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc2ccccc12 57291752 XDLZGRKYTGZPBZ-UHFFFAOYSA-N 413.443 4.619 0 40 HJAB Cc1c(C(=O)N(C)Cc2ccccc2OC(F)(F)F)oc2c1C(=O)CC(C)(C)C2 58381665 DOYKZZKKGOHQHQ-UHFFFAOYSA-N 409.404 4.914 0 40 HJAB O=C(c1cnc2ccc(F)cc2c1Nc1cccc(Cl)c1)N1CCSCC1 64471679 YPHVXMHMOAONIX-UHFFFAOYSA-N 401.894 4.960 0 40 HJAB COc1ccc(OC)c(-n2c(SCCc3ccccc3)nc3ccccc3c2=O)c1 67258932 KDDPPVAHJNSISY-UHFFFAOYSA-N 418.518 4.738 0 40 HJAB O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccccc1Cl 67292946 JPZBIJACIHGJRU-RPKJYVOXSA-N 417.292 4.881 0 40 HJAB Cc1csc(C2(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CCC2)n1 72307424 ULGGAPCTZOEHFU-UHFFFAOYSA-N 411.763 4.769 0 40 HJAB Cc1ccc2nc(C3CN(C(=O)c4c(-c5ccccc5Cl)noc4C)C3)[nH]c2c1 77190835 VUTVWASJUVGOJT-UHFFFAOYSA-N 406.873 4.728 0 40 HJAB CCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2NCc2ccccc2C)cc1 95467810 BIKWWPUDSNATGJ-UHFFFAOYSA-N 408.523 4.653 0 40 HJAB COc1ccc(CN2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)cc1 96038202 LUKOKISNWZMNJU-UHFFFAOYSA-N 416.500 4.924 0 40 HJAB CCN1c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C(=O)N2CCCC[C@H]21 97944085 QMKYKFMDDWHBPX-IBGZPJMESA-N 401.869 4.524 0 40 HJAB CC[C@@H](C(=O)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1)c1ccccc1 98211745 NQELFAZFPINZGA-HXUWFJFHSA-N 408.933 4.573 0 40 HJAB Cc1ccc2[nH]c(Cc3ccc(NC(=O)CC[C@@H]4C(=O)Nc5ccccc54)cc3)nc2c1 100778562 NMJJUZWIGLMOGV-FQEVSTJZSA-N 424.504 4.917 0 40 HJAB O=C(/N=c1/ccccn1Cc1ccccc1)c1cc2cc(Br)ccc2[nH]1 102949413 JMDWOMPBZNLONF-GFMRDNFCSA-N 406.283 4.521 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918335 RNFUORZCJMHGLE-FSSNKTKLSA-N 416.631 4.567 0 40 HJAB Cc1cccc2c(C(=O)NC(C)(C)CN3CCCCC3)cc(-c3cccnc3)nc12 141550356 HNNUIPXFKIDORB-UHFFFAOYSA-N 402.542 4.600 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c(C)c1 211971153 GSNXGGGBAAAKLE-LICLKQGHSA-N 400.887 4.632 0 40 HJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(C(=O)O)c3)N21 222708724 HAXKPWABYPLQIA-ORYQWCPZSA-N 418.522 4.550 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(N(C)C)cc1 222975118 PBCWRHUYGRIPPB-XZOQPEGZSA-N 419.598 4.711 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 223567632 YYMAAJHGEBPXJG-UUYOSTAYSA-N 420.578 4.912 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 224740277 CSWWJEOZOXXYGB-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB O=C(NCCc1ccc(Cl)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 225097708 HPHNYEPLUSMKET-HKWRFOASSA-N 410.926 4.531 0 40 HJAB COC(=O)c1cc(NC(=S)NCCSCc2ccccc2C)ccc1Cl 225361773 FIXJHZIHSPXRMY-UHFFFAOYSA-N 408.976 4.655 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)cc1 225546842 MPKIZYBUOUDYKW-GOSISDBHSA-N 400.950 4.523 0 40 HJAB CCOCCOc1ncc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C 225868459 RUOYDZPFCUOTBB-UHFFFAOYSA-N 400.494 4.785 0 40 HJAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)C[C@H]4C=CCC4)C3)cc2N1 248154328 CPUMKJXKZRGZIE-UOVPBQLFSA-N 424.511 4.889 0 40 HJAB COc1cc(C)c(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@H](C)C4)nc2C3)cc1C 253530818 YVELKOSVTCBXGK-GRWTVWFQSA-N 406.574 4.600 0 40 HJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C[C@H]2CCCO2)cc1 260909922 AVCFYKFTWMSDBA-PTUXOGIPSA-N 418.566 4.548 0 40 HJAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1 408640072 HDVSVYVONDNQJH-GOSISDBHSA-N 416.477 4.788 0 40 HJAB O=C(CN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O)Nc1ccc(F)c(Cl)c1 409224695 LIRHKOMRPZCVNQ-VDHUBAETSA-N 416.861 4.710 0 40 HJAB O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1cccc(-c2ccc3ccccc3c2)n1 521507825 CDNJEZGOBCCDCK-QFIPXVFZSA-N 409.445 4.630 0 40 HJAB CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)[C@@H]1Oc1ccccc1 1219574381 UYIKMFBKKKQWIE-KURKYZTESA-N 412.383 4.591 0 40 HJAB Cc1ccc(NC(=O)CN2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)cc1F 1615057189 FMLVYLOXOMRBMC-UHFFFAOYSA-N 410.533 4.866 0 40 HJAB O=S(=O)(N1CCCC[C@@H]1c1ccc(F)cc1F)C1(COCc2ccccc2)CC1 1660831675 SGNUUPQTMDZLEJ-OAQYLSRUSA-N 421.509 4.571 0 40 HJAB Clc1ccc(-c2nnc3n2N=CC2=C(S3)c3cc(Cl)ccc3OC2)cc1 988379 MFWSVHXEYQQEPN-UHFFFAOYSA-N 401.278 4.995 0 40 HJAB COc1ccc(CN(Cc2ccc(C)cc2)C(=O)c2cc3ccccc3oc2=O)cc1 1330103 GJEWIEGWGWACHU-UHFFFAOYSA-N 413.473 4.953 0 40 HJAB COc1ccc(NC(=S)N2CCS[C@H]2c2ccc(Br)s2)cc1 1441314 MVQXMRKXYRSPEE-AWEZNQCLSA-N 415.403 4.964 0 40 HJAB COc1cc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)ccc1OC(C)C 2130532 CZEILJCJDRMSLZ-HEAKDJBOSA-N 420.553 4.818 0 40 HJAB biogenic O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 3356758 OCYLULHSGAELTH-NTEUORMPSA-N 412.898 4.793 0 40 HJAB Cc1nc2ccc(NC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)cc2s1 3423182 ISTUIAYMWADLBB-UHFFFAOYSA-N 412.474 4.556 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2c(C)ccc(C)c2C)c1 3473806 QNNXQTJQLYFBAO-UHFFFAOYSA-N 409.935 4.515 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2C)c1 4341743 WADQKGCIHDUADW-UHFFFAOYSA-N 417.538 4.780 0 40 HJAB Clc1ccc(-c2nsc3c(N4CCN(C5CCCCC5)CC4)ncnc23)cc1 4895013 TYHUYSWEQCQJFJ-UHFFFAOYSA-N 413.978 4.861 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)o2)c1 5434620 TYDVELZXYSMMTC-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 6315335 BFGCPQVVJXNBQF-UHFFFAOYSA-N 413.477 4.746 0 40 HJAB COc1ccc(C(C)=O)cc1Cn1cnc2scc(-c3ccc(C)s3)c2c1=O 7671926 ORSIPWSOMWZVIA-UHFFFAOYSA-N 410.520 4.754 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)c1C 7729435 MCCNGIPWFDWHPI-INIZCTEOSA-N 422.554 4.715 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 7927989 UVMXNJKALCGYHN-HXUWFJFHSA-N 422.525 4.642 0 40 HJAB COCc1c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)oc2ccccc12 7960656 IXTBYKWZGNQCQO-UHFFFAOYSA-N 416.481 4.816 0 40 HJAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1C 7989053 IERJYZQDLBNTQK-UHFFFAOYSA-N 415.342 4.585 0 40 HJAB CN(Cc1ccc(Cl)s1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 9216864 JRHFNYIMWRBLGN-UHFFFAOYSA-N 422.941 4.981 0 40 HJAB O=C(CSc1nc2ncccc2[nH]1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 9308490 KCDUJKBFUGRHLK-UHFFFAOYSA-N 420.338 4.726 0 40 HJAB CN(C)c1ccc([C@H](CNC(=O)Cc2ccsc2)c2c[nH]c3ccccc23)cc1 9336150 RZMRUKBWIGTVHL-NRFANRHFSA-N 403.551 4.786 0 40 HJAB O=C(CCc1nc(-c2cccs2)no1)N1CCC[C@H]1c1nc2ccccc2s1 9516484 ITUMFOCLMLOLKV-AWEZNQCLSA-N 410.524 4.704 0 40 HJAB O=C(Nc1ccc(I)cc1)c1occc1COc1ccccc1 11328350 DFKGGHCQVRWYMG-UHFFFAOYSA-N 419.218 4.716 0 40 HJAB CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c1 12549094 GNTOJUKINNQDGJ-UHFFFAOYSA-N 416.506 4.715 0 40 HJAB CCn1ncc2c(C(=O)Nc3cc(C(=O)OC)ccc3C)cc(-c3cccs3)nc21 12815916 FKNKSYSCCLCIQP-UHFFFAOYSA-N 420.494 4.527 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1ccc(F)c2c1C(=O)C[C@@H]2C 12931382 GHRYCIHXCBOCAG-NWDGAFQWSA-N 405.853 4.892 0 40 HJAB COc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)n2)cc1 12972958 HBEWGLFKPFAQJB-ZDUSSCGKSA-N 419.403 4.574 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)c2ccccc12 13002118 VBJOBLZBBIOIAD-ICSRJNTNSA-N 416.521 4.578 0 40 HJAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)Cc1ccccc1 13692930 ZVRDRVFIKZOTEG-UHFFFAOYSA-N 424.566 4.837 0 40 HJAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(F)cc1Br 14634633 YWUFDMOLMYWLPR-UHFFFAOYSA-N 424.320 4.984 0 40 HJAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)NCc3cccnc3)o2)cc1Cl 17089064 NIGSUUUVGFXYOK-VQHVLOKHSA-N 411.914 4.508 0 40 HJAB CCCCc1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCC3)n2)cc1 17271262 LKVGHNODEVOQGV-UHFFFAOYSA-N 400.548 4.731 0 40 HJAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 20144990 CCPSKXMEMQSICH-UHFFFAOYSA-N 411.841 4.878 0 40 HJAB Cc1ccc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1C 21441468 HLEMWIVPCYRWPS-KRWDZBQOSA-N 408.445 4.702 0 40 HJAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 23270424 RXEYHVPPENNJNF-UHFFFAOYSA-N 405.841 4.817 0 40 HJAB O=C(CSc1ccc2c(c1)CCC2)N[C@H]1CCCc2c1cnn2Cc1ccccc1 24561968 QPQBNAXNTKSSIX-QHCPKHFHSA-N 417.578 4.706 0 40 HJAB O=C(CCSc1ccc(F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 24776709 ZZNGNEXZGGRIMM-IBGZPJMESA-N 401.503 4.833 0 40 HJAB Cc1cc(C)c2c(=O)cc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)oc2c1 28290126 CIPULZXAAOAAFA-LJQANCHMSA-N 424.928 4.630 0 40 HJAB COCc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 29146914 WHFZSNDBDJIOPB-UHFFFAOYSA-N 424.522 4.503 0 40 HJAB C[C@H](OC(=O)c1cc2cc(Br)ccc2[nH]1)c1nc(-c2cccs2)no1 29305635 SFUFODXOTBOUOA-VIFPVBQESA-N 418.272 4.960 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C)cc2)cc1 30751360 DMJCZOSXVNCTRA-GOSISDBHSA-N 424.522 4.510 0 40 HJAB O=S(=O)(c1ccc(F)cc1)N(Cc1cc(F)cc2cccnc12)c1ccccc1 31606983 GVSCDUCUQHDVIE-UHFFFAOYSA-N 410.445 4.909 0 40 HJAB COc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)c2cccc(OC)c2)cc1 36247112 QYBDZXQGZBTWOX-UHFFFAOYSA-N 417.914 4.753 0 40 HJAB C=Cc1ccc(Cn2nc(-c3cn(C)nc3C)c(Cl)c2-c2cn(C)nc2C)cc1 36611596 QGPCDLDFEQSLEZ-UHFFFAOYSA-N 406.921 4.646 0 40 HJAB CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)cc1 44936093 YEPDFOQGCJUBHX-UGKGYDQZSA-N 400.950 4.828 0 40 HJAB Cc1nc(CN(C)C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)nc2ccccc12 58245080 LRRPVEXSJUOTMI-UHFFFAOYSA-N 423.476 4.722 0 40 HJAB CCc1ccc([C@@H](NC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)C(C)C)cc1 58341190 KWKRGQHVONPTAD-HKUYNNGSSA-N 414.493 4.667 0 40 HJAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccc(C)cc3)ccc21 65322227 KNNBIDICFVYXQC-UHFFFAOYSA-N 420.557 4.758 0 40 HJAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)cc1 68713054 SXWITUZHGGUSNO-VWLOTQADSA-N 419.908 4.910 0 40 HJAB FC(F)(F)c1cccc(C2(c3nc(COc4ccccc4)no3)CCOCC2)c1 70003938 PJUARGHPARCWDI-UHFFFAOYSA-N 404.388 4.764 0 40 HJAB COc1ccc([C@H]2CCCN2c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cc1 83943969 WWEFZYNGXCTYNY-GOSISDBHSA-N 416.308 4.889 0 40 HJAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1c(F)cc(F)cc1-c1ccccc1 95944138 PBOAUAWBKBZULM-UHFFFAOYSA-N 405.470 4.827 0 40 HJAB O=C1N(Cc2ccccc2)c2ccccc2C12CCN(Cc1ccc(F)cc1)CC2 96052532 NIFRYYCTQSQMKS-UHFFFAOYSA-N 400.497 4.906 0 40 HJAB O=C(c1ccccc1Br)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96096584 PDGJKJXLGBKMOZ-UHFFFAOYSA-N 418.316 4.580 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222776705 VCGQVDFRXPPYHF-HXUWFJFHSA-N 408.586 4.822 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 223046140 UPYJVVZQDRWWJL-FQEVSTJZSA-N 412.599 4.562 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 223404093 USZGJCRXFSYPRB-OAQYLSRUSA-N 414.977 4.913 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 223716119 SALZFOJKKLLSRU-KRWDZBQOSA-N 418.990 4.517 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1)c1ccc(C)cc1 223942340 ROLONUVFMFZLAD-QFIPXVFZSA-N 422.550 4.985 0 40 HJAB CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 224024664 ZKMXGVJFMCSLIP-IBGZPJMESA-N 408.608 4.506 0 40 HJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)cc1 224192173 LFMNLKFPNSAGNJ-GOTSBHOMSA-N 411.534 4.753 0 40 HJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 224676405 CGEYENYTDZZIAB-GOSISDBHSA-N 412.961 4.749 0 40 HJAB COC(=O)CCc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 226342196 VCNOYZLBQPNSLB-UHFFFAOYSA-N 401.659 4.926 0 40 HJAB COc1ccc(Nc2cc(C)nc([C@@H]3CCN(Cc4cccnc4N(C)C)C3)c2)cc1 257319432 VSNFKOHYEHFZON-LJQANCHMSA-N 417.557 4.593 0 40 HJAB CCCCCN1C(=O)S/C(=C\c2cc(Br)c(OC)cc2OC)C1=O 409215068 ZLKNEMHLUQRYQZ-DHDCSXOGSA-N 414.321 4.693 0 40 HJAB FC(F)(F)c1ccc(-c2nnc3sc(Cc4noc5ccccc45)nn23)cc1 633095 UPNWLOMYOWZJIP-UHFFFAOYSA-N 401.373 4.604 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 856416 IYDJXRKTTKAHQA-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB COc1ccc(-c2nsc3c(SCC(=O)Nc4ccc(C)cc4)ncnc23)cc1 902734 QUFYBOCDLFNRSD-UHFFFAOYSA-N 422.535 4.801 0 40 HJAB COc1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)cc1OC 952288 JTRXOHWBTKFKLV-UHFFFAOYSA-N 402.402 4.696 0 40 HJAB biogenic CCn1c(SCC(=O)Oc2c(C)cccc2C)nnc1-c1ccc(Cl)cc1 976824 WMUAIPIBIATZHP-UHFFFAOYSA-N 401.919 4.933 0 40 HJAB Cc1ccc2cc(CN(C(=S)NCCc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 1224241 VSUXFFVUQGWKKP-UHFFFAOYSA-N 419.594 4.698 0 40 HJAB Nc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2nc3c(cc12)C(=O)CCC3 1240567 BSMPPFBECGMKMT-UHFFFAOYSA-N 405.401 4.669 0 40 HJAB CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2ccccc2c1=O 1243815 RYIFNRPDKYRWQS-UHFFFAOYSA-N 415.518 4.873 0 40 HJAB O=C(N[C@H](C(=O)Nc1cccc(Cl)c1)c1ccccc1)c1ccc2ccccc2n1 1436691 KLFZQPXFJOATSN-QFIPXVFZSA-N 415.880 4.998 0 40 HJAB CCCc1nc2sc3c(NC[C@H]4CCCO4)nc(SC)nc3c2c2c1CCC2 2399618 AJFGMWSLCWFFMR-GFCCVEGCSA-N 414.600 4.994 0 40 HJAB Cc1cc(=O)oc2cc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)ccc12 2637050 VZPSNWLFNXRFOU-UHFFFAOYSA-N 417.792 4.574 0 40 HJAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1 2644134 GTMUNTUZTKMBSC-MRXNPFEDSA-N 413.568 4.777 0 40 HJAB CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 2703686 QXSJCOBVJDHPCR-JOCHJYFZSA-N 412.445 4.645 0 40 HJAB CCOC(=O)CC[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@@]21C 4073928 ZFVNCIMEWULGEX-WHXMQGSISA-N 420.634 4.956 0 40 HJAB biogenic COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 4743103 VCWDOHJFKGOMRJ-KTVNVDRLSA-N 402.575 4.983 0 40 HJAB Nc1c(C(=O)Nc2ccccc2Cl)sc2nc3cc4c(cc3cc12)OCCO4 4848851 MISPIIXDSQVWGB-UHFFFAOYSA-N 411.870 4.709 0 40 HJAB C[C@@H](Sc1nc(-c2ccncc2)n[nH]1)C(=O)Nc1ccc(Oc2ccccc2)cc1 5530865 YHSMCWISNCYMPO-OAHLLOKOSA-N 417.494 4.778 0 40 HJAB CC(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CCCC(=O)O 5727278 COQZSGFBOHTWJY-UHFFFAOYSA-N 409.891 4.827 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccccc1OCc1ccccc1Cl 6047876 KGVKPCFQSOCSQR-IAGOWNOFSA-N 415.917 4.865 0 40 HJAB O=C1C[C@H](Nc2ccc(OCc3ccccc3)cc2)C(=O)N1c1cccc(Cl)c1 6346259 KUSMERDOQFVKLU-NRFANRHFSA-N 406.869 4.663 0 40 HJAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cccc(Cl)c3)cc2)cc1 6478842 CZEULCNOJDHPDD-UHFFFAOYSA-N 408.837 4.907 0 40 HJAB COc1cc(C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(F)cc1 6790734 XSWAGHHKPLLQLC-UHFFFAOYSA-N 422.456 4.721 0 40 HJAB CC(=O)c1oc2ccccc2c1NC(=O)COC(=O)COc1cc(C)ccc1C(C)C 6879450 YBOGWAKCJSISNI-UHFFFAOYSA-N 423.465 4.628 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1 7736257 MSYNSRYOGMCZJB-UHFFFAOYSA-N 404.890 4.921 0 40 HJAB CCOc1ccc(N2C[C@@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)cc1 7929214 VQFVYVGYQJSEIT-IBGZPJMESA-N 401.462 4.711 0 40 HJAB O=C(CSc1nc(-c2cccs2)n[nH]1)N[C@@H](c1ccccc1)c1cccs1 8528212 ZWWSZEALHWMWAN-KRWDZBQOSA-N 412.565 4.593 0 40 HJAB CCN1C(=O)c2cc(NC(=O)c3ccc(OC)cc3OC)ccc2Oc2ccccc21 9134703 FWOIARXQXSILDR-UHFFFAOYSA-N 418.449 4.729 0 40 HJAB O=c1[nH]c(CSc2nnc(C3CC3)o2)nc2scc(-c3ccc(Cl)cc3)c12 9461649 OOVMBGMJPKJFHA-UHFFFAOYSA-N 416.915 4.858 0 40 HJAB FC(F)(F)c1ccc(NC(=S)N2CCN(c3nsc4ccccc34)CC2)cc1 9481919 MNTKTDWDLHOFPA-UHFFFAOYSA-N 422.501 4.834 0 40 HJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC)O[C@H](C)C2 12590766 SSWAPUYMGPHPGU-OLZOCXBDSA-N 404.894 4.510 0 40 HJAB COc1ccc(CCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1OC 12625141 KRILLPAFKRKGBI-UHFFFAOYSA-N 409.457 4.884 0 40 HJAB CC(C)C(=O)Nc1cccc(CNC(=O)c2ccccc2NC(=O)c2cccs2)c1 12742859 YCESMRGNHFKCJI-UHFFFAOYSA-N 421.522 4.525 0 40 HJAB CCC[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2OC)n1C1CCCCC1 12743725 HLAXFIKLNGLZIK-MRXNPFEDSA-N 416.591 4.856 0 40 HJAB C[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 12946118 PYWCDIVUJZQHNU-KNEUKCCGSA-N 409.574 4.652 0 40 HJAB CN(CC(=O)Nc1ccccc1Cl)CC(=O)N(c1ccccc1)C1CCCCC1 13096114 QRSRQSVWSJFLAT-UHFFFAOYSA-N 413.949 4.576 0 40 HJAB O=C(Nc1ccccc1N1CCOCC1)c1cc(-c2ccccc2)nn1-c1ccccc1 13141744 LKMQZPLHSHTAJS-UHFFFAOYSA-N 424.504 4.628 0 40 HJAB COc1cc2cc(CNc3ccc(N4C[C@@H](C)C[C@@H](C)C4)cc3)c(=O)[nH]c2cc1OC 13563116 DZJRJALLTABBSH-CALCHBBNSA-N 421.541 4.640 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3C)ccc2C)c1 14155553 NSKKHHHKLDFVFE-UHFFFAOYSA-N 422.550 4.651 0 40 HJAB CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3cccc(Cl)c3)o2)CC1 17093724 DYUNUOHKIVFMNG-UHFFFAOYSA-N 423.900 4.521 0 40 HJAB Cc1cc(-c2snnc2[C@@H]2CCCN(Cc3ccccc3C(F)(F)F)C2)on1 19120791 AHGFYMMTQYXKFE-CQSZACIVSA-N 408.449 4.900 0 40 HJAB O=C(Cc1csc(-c2ccsc2)n1)OCc1cc(Cl)c2c(c1)OCCO2 19358404 AOADXMVHFWKPFZ-UHFFFAOYSA-N 407.900 4.582 0 40 HJAB O=C(N[C@H](c1ccccn1)C1CCN(Cc2c(F)cccc2Cl)CC1)C1CCC1 19400791 TYPRYZWDNSIUQA-QFIPXVFZSA-N 415.940 4.744 0 40 HJAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@@H](C)Cn3nc(C)c(C)c3C)[C@H]3CCCC[C@H]32)cc1 19556941 NOOYERDNFHPXFP-WWVVMNNHSA-N 409.574 4.542 0 40 HJAB O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 19715098 SESSVEMTOJBUBQ-HXUWFJFHSA-N 420.534 4.878 0 40 HJAB CSc1nc(N2CCC(Cc3ccccc3)CC2)c2c3c(sc2n1)CN(C)CC3 20394855 TWXXYAADEDOHTD-UHFFFAOYSA-N 424.639 4.860 0 40 HJAB COC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)sc2c1 20412363 DVDHDNQUIRNHKZ-FMIVXFBMSA-N 404.447 4.995 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCCC3)c2)cc1 20450473 VEYKBGBCXZINMM-UHFFFAOYSA-N 420.962 4.902 0 40 HJAB Nc1nc(N2CCCCC2)nc2nc3c(c(-c4cccc5ccccc45)c12)C(=O)CCC3 20673590 KCHWEPGDSMKVNB-UHFFFAOYSA-N 423.520 4.937 0 40 HJAB CCCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2Cl)c2ccccc21 20746068 WFUJZVGTXOUWLZ-JOCHJYFZSA-N 406.873 4.560 0 40 HJAB Cc1ccc(NC(=O)CCc2nc(CSc3nc4ccccc4s3)no2)cc1 21157515 PDLOAWQWNMMUCZ-UHFFFAOYSA-N 410.524 4.851 0 40 HJAB CCn1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)c(=O)c2cc(C(F)(F)F)ccc21 22606070 RBJKLWBITYVLQT-LBPRGKRZSA-N 406.379 4.670 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccco2)s1 23576309 XTJROVODKPYLHH-CYBMUJFWSA-N 422.462 4.811 0 40 HJAB CN(C)C(=O)c1ccc(NC(=O)CSCCC23CC4CC(CC(C4)C2)C3)cc1 24073092 SBRACZYBIXVKMK-UHFFFAOYSA-N 400.588 4.667 0 40 HJAB O=C(CSc1nncn1Cc1ccco1)N1c2ccccc2Sc2ccccc21 28709733 DIANKVBFNNYZEV-UHFFFAOYSA-N 420.519 4.841 0 40 HJAB O=C(Nc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1)c1ccccn1 32932128 YLUOBTVNHZWKMH-UHFFFAOYSA-N 417.490 4.831 0 40 HJAB Cc1cccn2c(=O)cc(CSc3ccccc3NC(=O)c3ccccc3F)nc12 33026046 DDJSSGJVRFLCQY-UHFFFAOYSA-N 419.481 4.687 0 40 HJAB COc1ccc(-c2noc(CSc3nccn3-c3ccc(C)cc3)n2)cc1OC 33278094 KWBRULKJQWUFBF-UHFFFAOYSA-N 408.483 4.540 0 40 HJAB OCc1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 34772801 CNMVIJCFOSBPGQ-UHFFFAOYSA-N 406.501 4.936 0 40 HJAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1 38855989 JGEALQVEDVUTNQ-IBGZPJMESA-N 424.504 4.675 0 40 HJAB Cc1nnc(Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)c2ccccc12 40050769 IPJPWNKQDPQUPE-UHFFFAOYSA-N 423.469 4.695 0 40 HJAB CCC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1cc2cc(OC)ccc2nc1Cl 40142465 WZZNQHGZSFCCNO-NRFANRHFSA-N 423.900 4.993 0 40 HJAB Cc1ccc(C)c(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)c1 41077194 SENCMWUCWPUDFG-UHFFFAOYSA-N 414.465 4.534 0 40 HJAB CC[C@@H](C)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2s1 46058573 GBMRIAHHEMBEHZ-OAHLLOKOSA-N 416.568 4.563 0 40 HJAB Cc1c(C(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)sc2cccc(F)c12 58245069 PCQWACRFTSEIRP-KRWDZBQOSA-N 410.474 4.921 0 40 HJAB CC1CCN(C(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2F)c2ccccc2)CC1 58330214 FSFKMAZYEZMHSU-LJQANCHMSA-N 403.885 4.600 0 40 HJAB COc1ccc(-c2nnc(SCCCCCO)n2C2CCCCC2)cc1OC 60330956 ZNJDSRRRXADCSX-UHFFFAOYSA-N 405.564 4.722 0 40 HJAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 72359909 INHJMJVICMPJHC-LJQANCHMSA-N 407.543 4.590 0 40 HJAB O=C(C1CCCC1)N1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 72371383 NUDQXPYSTHBHQC-MRXNPFEDSA-N 421.463 4.556 0 40 HJAB CCOc1ccc2ccccc2c1CNCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 95348680 ZRIHDJKALVVFLC-KDURUIRLSA-N 405.542 4.537 0 40 HJAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C(=O)N(C)C)cn1 96037368 RVYHODNECFHTFR-UHFFFAOYSA-N 403.486 4.662 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc3ncccc3c2)S1 96117643 FFMCXYCVKICOCE-LPHOPBHVSA-N 408.527 4.741 0 40 HJAB Cc1noc(=O)c(C)c1-c1ccc(Cl)c(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 100493709 TXBSBCNPDJIUMG-MMTVNHQJSA-N 400.906 4.527 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)Nc4cccc(Cl)c4C)cc3)C(=O)[C@H]12 206659621 LYBQVOZLKIYWRX-JHOJWFKBSA-N 420.896 4.602 0 40 HJAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)Cc3ccccc3Cl)C2)n1 220807790 PIAOATMEDCCWKO-KRWDZBQOSA-N 409.917 4.722 0 40 HJAB COc1ccc2ccc(OC)c([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2c1 222568805 XZQKKJAVHIIOCD-JQOQJDEVSA-N 405.523 4.841 0 40 HJAB Cc1ccccc1[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)C(C)C 223929696 HHVIFUNPXLEDSQ-HSZRJFAPSA-N 422.550 4.923 0 40 HJAB CCCOCc1cc(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)ccc1OC 224420612 ANCXYCAQVIICJF-UHFFFAOYSA-N 413.495 4.875 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCC1(c2ccccc2)CCOCC1 224474553 ZOJFOEFGDXKSIA-OAQYLSRUSA-N 401.934 4.670 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 224591332 RJXKWHXJNRJXLR-QHCPKHFHSA-N 424.585 4.570 0 40 HJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3C)no2)c1 225197168 OQYFWYBRWNHXHL-SFHVURJKSA-N 407.514 4.903 0 40 HJAB Cc1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225529675 JMLSMXJZZNMAKP-FQEVSTJZSA-N 424.585 4.613 0 40 HJAB CCOC(=O)c1ccc(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)cc1Cl 225704837 CUNOTEYDHOONFZ-IBGZPJMESA-N 418.946 4.889 0 40 HJAB CCOc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2sc(N)nc12 226312555 UBVDILKRNXOVOV-UHFFFAOYSA-N 405.907 4.727 0 40 HJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)Cc3ccccc3F)CC2)n1 257303676 SIFRKBSBVDFASZ-UHFFFAOYSA-N 407.489 4.695 0 40 HJAB COc1c(C)cccc1C(=O)N1CC[C@H](c2cc(Nc3nccs3)cc(C)n2)C1 257334335 YFLRYUQJWSYLPT-INIZCTEOSA-N 408.527 4.537 0 40 HJAB Cc1ccc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1 408738802 VJQOYOKGVVGTNN-XMMPIXPASA-N 400.522 4.906 0 40 HJAB CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)nc21 714647 OBSBOHUUYSRHPU-UHFFFAOYSA-N 411.918 4.692 0 40 HJAB O=S(=O)(N[C@@H](c1cccs1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 792915 IMBIUPZKBAEJRG-NSHDSACASA-N 405.155 4.791 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1 882100 FRMXELGMCNGECT-UHFFFAOYSA-N 402.479 4.633 0 40 HJAB O=C(O)CC1=C(Nc2ccc(F)cc2)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1 1071224 MNXZLYQUEYRVHG-QHCPKHFHSA-N 420.415 4.894 0 40 HJAB O=S(=O)(c1cccc2ccccc12)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1073056 UCXNQEWQZCPJFQ-UHFFFAOYSA-N 421.349 4.658 0 40 HJAB Cc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 2068375 PZSOBENWFBYHBG-UHFFFAOYSA-N 401.462 4.807 0 40 HJAB Cc1cccc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3n2Cc2ccccc2)c1 2364310 FBVLLEMSEDLMGD-UHFFFAOYSA-N 422.488 4.567 0 40 HJAB CC(C)(C)OC(=O)NCCc1nnc(SCc2ccc(Cl)cc2Cl)o1 2382814 WYZRCOGHLUWLER-UHFFFAOYSA-N 404.319 4.736 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cccc(Cl)c1 2452166 VYGWXLKYAYEVPH-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB O=C(O)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 2554493 ZLTJKENLHFHCGO-LBPRGKRZSA-N 406.191 4.523 0 40 HJAB biogenic,in-vitro O=C1/C(=C/c2ccccc2OCc2ccc(F)cc2)NC(=S)N1C1CCCCC1 3662753 SXTPGKPIUYCVJL-ZHZULCJRSA-N 410.514 4.795 0 40 HJAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)c1 3886802 QIXNMQSHWHXNNL-UHFFFAOYSA-N 419.861 4.573 0 40 HJAB CC1=C(C(=O)O[C@H]2CCC[C@H]2C)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 4066604 FAWXECJFJVYKRS-NIJIEXERSA-N 420.509 4.625 0 40 HJAB CCN(CC)c1ccc(C[C@@H]2c3ccccc3CN3c4ccccc4C(=O)N[C@H]23)cc1 4158725 MHYKHABQBMXVEA-RSXGOPAZSA-N 411.549 4.949 0 40 HJAB COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 4306405 PTNBXHSCYUAXFG-GHTZIAJQSA-N 408.841 4.962 0 40 HJAB CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 4424459 PPZKRXFHOHDKSW-LJQANCHMSA-N 402.325 4.959 0 40 HJAB Cc1cccc2cc(CN(Cc3ccc(Cl)cc3)C(=O)C3CCC3)c3nnnn3c12 4878235 ZOTAHKLDCNPFOX-UHFFFAOYSA-N 419.916 4.568 0 40 HJAB Cc1ccc(-c2n[nH]c(CNC(=O)Nc3ccc(Cl)cc3C(F)(F)F)n2)cc1 5001870 ZTSXKBKKHFVQAS-UHFFFAOYSA-N 409.799 4.774 0 40 HJAB CSc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)cc1 5215948 SJTCOKWNWJZCSY-OAQYLSRUSA-N 414.486 4.968 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccn2)N1Cc1ccccc1 5516017 BVHJUABMPLHLGW-HXUWFJFHSA-N 402.837 4.587 0 40 HJAB C1=CC[C@H]([C@H](NCCc2c[nH]c3ccccc23)c2nnnn2C2CCCCC2)CC1 6062615 BLGOQPZKWQOVKY-MBSDFSHPSA-N 404.562 4.889 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)NC12CC3CC(CC(C3)C1)C2 6505459 YXZPMTNBIRIARF-DUXPYHPUSA-N 409.382 4.966 0 40 HJAB CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1 6624651 QTISHVBTNMQYOZ-UHFFFAOYSA-N 418.449 4.604 0 40 HJAB biogenic O=C(Nc1ccc(F)cc1)[C@@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 7848265 JMKWEAIIORMWLX-QHCPKHFHSA-N 403.457 4.744 0 40 HJAB CCCCN1C(=O)CC[C@@H](C(=O)N2CCCc3ccccc32)[C@@H]1c1ccc(OC)cc1 7989968 KGTPVQPOKCJKOP-RDGATRHJSA-N 420.553 4.754 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(NC2CC2)s1)c1ccccc1 8074708 ZPNWGNGJCWFPJA-MRXNPFEDSA-N 400.504 4.724 0 40 HJAB CCn1c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)nnc1-c1ccco1 8133091 JRBUEQPVIIXUPH-AWEZNQCLSA-N 414.556 4.568 0 40 HJAB COc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc1 8186263 GCQGCNVWULHULB-UHFFFAOYSA-N 414.914 4.788 0 40 HJAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(CSc2ccc(Cl)cc2)cs1 8815940 RRCDXGWIIDIBOV-KRWDZBQOSA-N 422.959 4.885 0 40 HJAB C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1=O 9113187 NZJSGNCXVPMDHQ-YVWKXTFCSA-N 419.550 4.570 0 40 HJAB CCOc1ccc2nc(Cl)c([C@H]3CC(c4cccc(OC)c4)=NN3C(C)=O)cc2c1 9495138 IDEQDEARKLCLHI-JOCHJYFZSA-N 423.900 4.993 0 40 HJAB O=Cc1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 10646277 FAKZQNPUUOIZSG-UHFFFAOYSA-N 403.059 4.586 0 40 HJAB CCOc1ccc(NC(=O)[C@H]2Sc3ccc(C)n3N[C@H]2c2ccc(OC)cc2)cc1 11114822 LCSHLLIHLUCRJZ-VXKWHMMOSA-N 423.538 4.602 0 40 HJAB COc1cccc2c(C)cc3nnc(SCC(=O)Nc4ccc(Cl)cc4)n3c12 11903259 VCYBKROPOATQFQ-UHFFFAOYSA-N 412.902 4.584 0 40 HJAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@H](C)n2nc(C(F)F)cc2C)n1 12227881 JVHYAUKRSSNQMA-WFASDCNBSA-N 410.515 4.617 0 40 HJAB NC(=O)N[C@@H](CC(=O)NCc1cccc(Cl)c1)c1cccc(Oc2ccccc2)c1 13098781 CYMXHYOTUGFNCL-NRFANRHFSA-N 423.900 4.548 0 40 HJAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)c1 13228260 NRYPNISNRLNQJJ-FQEVSTJZSA-N 402.837 4.900 0 40 HJAB COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@@H]3c3ccccc3Cl)c2c1 13570386 WNZSTDTWOKUYGW-QFIPXVFZSA-N 420.900 4.649 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 13678396 GRKZPWPTFWULQQ-UHFFFAOYSA-N 420.943 4.787 0 40 HJAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 13733848 UBCZQAZIBQXKFT-INIZCTEOSA-N 407.514 4.554 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2C)cc1C 13842469 OVYXGJSUCIBAJW-UHFFFAOYSA-N 424.570 4.865 0 40 HJAB CCc1ccc([C@H](NC(=O)C[C@](O)(c2ccco2)C(F)(F)F)c2cccs2)cc1 14241811 SWRUIGICNWFVBI-PMACEKPBSA-N 423.456 4.949 0 40 HJAB COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)CCc2ccccc2)c(OC)c1 15953797 LXBRFSSHLGAUPU-UCGXPXSYSA-N 423.553 4.531 0 40 HJAB biogenic O=C1CC[C@@]2(C(=O)Nc3ccc(Br)cc3Cl)Sc3ccccc3N12 17579411 ZCMAQJFVYNKHLF-KRWDZBQOSA-N 423.719 4.670 0 40 HJAB COc1ccc(Br)cc1Cn1cnc2c(Cl)cc(Cl)cc2c1=O 18265699 IEYVPLIEZZXZMN-UHFFFAOYSA-N 414.086 4.523 0 40 HJAB O=C(CC1CCCC1)N[C@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1 19348869 HQAXMORTNCCEEF-VWLOTQADSA-N 409.549 4.871 0 40 HJAB Cc1c(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cccc1C(=O)N1CCCC1 19716505 TVEYGPDYWWHPNF-MRXNPFEDSA-N 409.530 4.622 0 40 HJAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc(-c2cccs2)oc1C 22910796 IHZHNSYMVKTTDP-UHFFFAOYSA-N 423.460 4.980 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)Cn3cccc(C(F)(F)F)c3=O)ccc21 24374556 CYPPGNAMWMBOEC-UHFFFAOYSA-N 413.399 4.634 0 40 HJAB O=C(Nc1cc(Br)c(O)c(Br)c1)c1cc2ccccc2o1 32116363 FSGMDUMOUMTUKO-UHFFFAOYSA-N 411.049 4.916 0 40 HJAB CCOc1ccc([C@@H](NC(=O)CCCNC(=O)c2cccs2)c2ccccc2)cc1 32914827 QGLAGNGUWKMZDO-QHCPKHFHSA-N 422.550 4.563 0 40 HJAB COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)cc1 38501212 DYQQJNGWKLNKKT-UHFFFAOYSA-N 417.440 4.851 0 40 HJAB COc1ccc([C@@H](NC(=O)CSc2ccc(Br)cc2)C2CC2)cc1 40017431 KUUKCEZVCWMUFS-IBGZPJMESA-N 406.345 4.817 0 40 HJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCSc2ccc(Cl)cc21 40071145 SYBXJVQMCHATMD-UHFFFAOYSA-N 403.866 4.601 0 40 HJAB CCOC(=O)CSc1ncc(-c2ccc(OC)cc2)n1-c1cccc(Cl)c1 44087252 IHYDHUIWJCVZPV-UHFFFAOYSA-N 402.903 4.857 0 40 HJAB CC[C@@H](C)n1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2cc(C)[nH]c2c1=O 67238807 JJQSDDYOLLUQMZ-OAHLLOKOSA-N 412.559 4.858 0 40 HJAB CCOc1ccc(-c2cc3c(=O)n(Cc4cccc(Cl)c4)ccn3n2)cc1Cl 72329621 KFPJTNOVKAYYNQ-UHFFFAOYSA-N 414.292 4.917 0 40 HJAB NC(=O)c1cccc(-c2cccc([C@H]3CCCN(Cc4ccc5[nH]ccc5c4)C3)n2)c1 72350441 WBQFPBRHUQOPKH-QFIPXVFZSA-N 410.521 4.708 0 40 HJAB O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(-c2ccccc2)cc1 91293229 CHFIMSUQBQLBQX-UHFFFAOYSA-N 400.324 4.817 0 40 HJAB CCc1cc(=O)n2nc(N(C)[C@H]3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)sc2n1 95463638 VWSRLLYAALTCNK-CVEARBPZSA-N 422.476 4.505 0 40 HJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 223020128 SYBZKTBZIORVHH-HXUWFJFHSA-N 402.922 4.974 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1C 223083492 XBOCXIAGXUFMQW-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 223183403 TWESGGMUDNIVGS-SFHVURJKSA-N 400.950 4.525 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 223191907 GVEPGQFBBWXGCL-GOSISDBHSA-N 400.950 4.525 0 40 HJAB COc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCC[C@@H](C)C4)cc3)s2)cc1 223253705 LVCCNWNMDWCXLE-MRXNPFEDSA-N 422.554 4.698 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 223432676 AZKMQZXUBIDYSK-JOCHJYFZSA-N 412.549 4.789 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 223702237 CAAQMPDRQFXNRI-NRFANRHFSA-N 414.977 4.647 0 40 HJAB CCc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1 224144555 UYTLNRQCQRTAJD-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)cc1 224698491 KAAFBPJURUFXHM-OAQYLSRUSA-N 406.570 4.712 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 225458722 YABRFINKQXVINZ-KNQAVFIVSA-N 412.599 4.809 0 40 HJAB O=C(COc1cccc(F)c1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257309938 UCYHRHNKFXCALS-NRFANRHFSA-N 412.436 4.676 0 40 HJAB COc1ccc(-c2cc(C)nc(Sc3oc(C=O)cc3Br)n2)cc1 408558742 VJTAGUQNRNTEKV-UHFFFAOYSA-N 405.273 4.780 0 40 HJAB CCCn1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)c2ccccc21 409352837 DZRKNLOSOILFOQ-BKUYFWCQSA-N 404.491 4.971 0 40 HJAB Cc1cc2c(cc1C)O[C@H](c1nc(-c3ccccc3NC(=O)c3ccccn3)no1)C2 680738251 FTKRUODTGHIEQZ-NRFANRHFSA-N 412.449 4.677 0 40 HJAB O=C(COc1ccc(Cl)cc1)NC1CCC(Nc2cnc3c(c2)CCCC3)CC1 1658839557 FSXIZJRGULBZQX-UHFFFAOYSA-N 413.949 4.532 0 40 HJAB O=S(=O)(c1ccccc1)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1 629176 AWDHSJXUCMFBKP-JOCHJYFZSA-N 411.548 4.702 0 40 HJAB CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccccc2)cc1 828448 BZSBXEQRNUNJJL-QHCPKHFHSA-N 422.525 4.873 0 40 HJAB O=S(=O)(c1ccccc1)c1ccc(CC(O)(c2ccccc2)c2ccccc2)cc1 1703260 CCUUZKTVGIQWCU-UHFFFAOYSA-N 414.526 4.998 0 40 HJAB Cc1cccc(-n2c(N)c(C(=O)N[C@H](C)c3ccccc3)c3nc4ccccc4nc32)c1 2347379 CMLXPEMBXQYLSS-QGZVFWFLSA-N 421.504 4.955 0 40 HJAB Cc1cccc(-c2nc3s/c(=C\c4ccc(-c5ccccc5Cl)o4)c(=O)n3n2)c1 2379386 SQFNFFKEYREADQ-UNOMPAQXSA-N 419.893 4.588 0 40 HJAB COc1ccc(OC)c(-c2csc(NC(=O)c3cc(C)nc4ccccc34)n2)c1 2639522 YGJFFHOKUQVIMU-UHFFFAOYSA-N 405.479 4.936 0 40 HJAB CCCCC(=O)Oc1cc(C)c2oc(C=O)c(C(=O)OCC)c2c1Br 3219644 SRRVFQKAJFUNBA-UHFFFAOYSA-N 411.248 4.589 0 40 HJAB O=C(OCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc2ccccc2n1 3264775 UQLIIZNGNMXKMB-UHFFFAOYSA-N 410.473 4.621 0 40 HJAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CSc1ccccn1 3376952 CFRZPISJPJRJEU-UHFFFAOYSA-N 416.499 4.857 0 40 HJAB COc1ccc(-c2csc3ncnc(NCc4ccc(OC)c(OC)c4)c23)cc1 3433439 SSEXOZGCWRCUPD-UHFFFAOYSA-N 407.495 4.996 0 40 HJAB Cc1ccc(/C=C2\SC(=O)N(CNc3cccc(Br)c3)C2=O)cc1 4713862 XQOLVYGSWCPNEE-SXGWCWSVSA-N 403.301 4.863 0 40 HJAB CCCOc1cccc(C(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2C)c1 4776784 ZHPAFPXQTAVBKG-UHFFFAOYSA-N 407.499 4.511 0 40 HJAB CCc1cccc2cc3c(N)c(C(=O)Nc4cc(OC)ccc4OC)sc3nc12 5000281 FKWOCINUZKIUSK-UHFFFAOYSA-N 407.495 4.864 0 40 HJAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)c1 5099436 WDTUINMXTOKYNZ-UHFFFAOYSA-N 406.507 4.667 0 40 HJAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccc(OC)c1 5478158 UPAYVBVDMHNQLL-UHFFFAOYSA-N 416.934 4.666 0 40 HJAB CC[C@@H](OC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccco1 5599393 JJTVWUQFVYYFJR-GOSISDBHSA-N 406.504 4.590 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 6287171 BTAPPHXJXMXTLS-JLHYYAGUSA-N 418.946 4.557 0 40 HJAB CCCCN1C(=O)CC[C@@H](C(=O)NC2CCCCCC2)[C@H]1c1ccc(OC)cc1 6508692 OJUNXKVLFVZVPY-FYYLOGMGSA-N 400.563 4.614 0 40 HJAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccc2c(c1)OCCO2 6509632 GWHRXXVAEJAWRU-GOSISDBHSA-N 402.494 4.584 0 40 HJAB COc1ccc(-c2noc(CN(C(=O)CC(C)(C)C)C3CCCCC3)n2)cc1OC 6764586 WQFWLSVWFGDLOQ-UHFFFAOYSA-N 415.534 4.851 0 40 HJAB CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccc(C)cc1C)S2 6812263 XKYLZLCGKOXZGC-SFTDATJTSA-N 421.570 4.554 0 40 HJAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 6898918 CTIVBAKNUHDORU-QMMMGPOBSA-N 401.706 4.809 0 40 HJAB COc1cc2c(cc1NC(=O)[C@@]1(C)Cc3ccccc3C(=O)O1)oc1ccccc12 7474992 AYTIBBQBBOQEKZ-XMMPIXPASA-N 401.418 4.705 0 40 HJAB O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 7988477 KBEVOVCZMRJIBN-ATEOEAFZSA-N 419.930 4.639 0 40 HJAB O=C(CSc1nccn1Cc1ccccc1)N1CCC(Cc2ccccc2)CC1 8134769 QTBMTLHTKNQILM-UHFFFAOYSA-N 405.567 4.505 0 40 HJAB CCOc1ccc2nc(NC(=O)[C@@H](CC)Sc3nc(C)cc(C)n3)sc2c1 8197434 RALUDWTYGWKKRB-OAHLLOKOSA-N 402.545 4.611 0 40 HJAB COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2cnn(-c3ccccc3)c2)c(O)c1C 8576030 OWLAJHBXOSRKLB-UHFFFAOYSA-N 414.387 4.971 0 40 HJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(N2CCCC2=O)c1 8879334 XERUCPVBJSZCDS-UHFFFAOYSA-N 408.885 4.999 0 40 HJAB CC(C)c1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1 8901546 MXGUJHFLOOPZOI-OAQYLSRUSA-N 406.617 4.767 0 40 HJAB CCCOc1c(Br)cc(C(=O)Nc2ccc(OC)c(OC)c2)cc1OC 9120462 SEGVKJDEEACBLZ-UHFFFAOYSA-N 424.291 4.516 0 40 HJAB CCn1nc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c2ccccc2c1=O 9364216 XIDZQBWGHBVCKZ-UHFFFAOYSA-N 418.493 4.504 0 40 HJAB O=C(CSc1nnc(Nc2ccc(F)cc2)s1)c1ccc2c(c1)OCCCO2 9494061 BCYIAMFQGORWMA-UHFFFAOYSA-N 417.487 4.557 0 40 HJAB Fc1cccc(Cl)c1CSc1nnc2ccc(-c3ccc4c(c3)OCO4)nn12 9829159 HUGOHSBMOMQXIP-UHFFFAOYSA-N 414.849 4.605 0 40 HJAB CCOc1ccc(CCC2CCN(C(=O)c3ccc(NC(=O)C4CC4)cc3)CC2)cc1 10993608 KPRDUTDRECZVNY-UHFFFAOYSA-N 420.553 4.919 0 40 HJAB O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1ccc(Cl)c(C(F)(F)F)c1 11498584 AQNXJBRIKKXIJK-UHFFFAOYSA-N 418.872 4.940 0 40 HJAB Clc1ccc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2ncc[nH]2)cc1 12143409 GFZHJJBPBWWFPC-UHFFFAOYSA-N 405.845 4.528 0 40 HJAB CC(C)c1nc2oc3c(=O)n(Cc4ccccc4)cnc3c2c2c1COC(C)(C)C2 12325096 DBKAROYUSIDPGT-UHFFFAOYSA-N 403.482 4.561 0 40 HJAB Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)cc1 12600023 JLVJZVQMJLSVNM-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB CCCCc1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 12789941 GVTCBZSYKPTPBE-XLNRJJMWSA-N 413.481 4.913 0 40 HJAB CC(C)(C)c1cc(NC(=O)c2ccc(Br)o2)n(Cc2ccccc2)n1 12917913 XQMMBHLZOAHJKL-UHFFFAOYSA-N 402.292 4.837 0 40 HJAB O=C(CSc1nnc(-c2ccccc2Br)o1)c1ccc2c(c1)CCC2 13112350 VGZBXRFJCASWEW-UHFFFAOYSA-N 415.312 4.963 0 40 HJAB Cc1cccc(CSCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 13681337 WMPWQNPXEZUJDJ-UHFFFAOYSA-N 404.384 4.655 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1F)c1ccccc1 13856331 IWAUZXMJXDEUIQ-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB CCc1ccc(-c2csc(NC(=O)c3cc(NC(C)=O)cc(NC(C)=O)c3)n2)cc1 14233856 MIUNUXMIIOSAAU-UHFFFAOYSA-N 422.510 4.542 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1ccc2nn(-c3ccc(C)c(Cl)c3)nc2c1 17093302 WJMXAOKVPWIANS-UHFFFAOYSA-N 422.872 4.652 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccs1 19400655 LUQCUPUKHROZKV-PGRDOPGGSA-N 409.530 4.666 0 40 HJAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccccc1Oc1ccccc1 24191550 NGRCLENOICHTOB-UHFFFAOYSA-N 402.494 4.588 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1ccc(OC(F)(F)F)cc1 25214199 JLHRFKMHZHDWDN-NSHDSACASA-N 402.800 4.995 0 40 HJAB O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1cc2ccccc2c(=O)[nH]1 25669043 CZKKXNILYXXANB-PAQRCMFQSA-N 406.485 4.555 0 40 HJAB CC(C)c1ccc(NC(=O)CSc2nnc(/C=C/c3ccccc3)c(O)n2)cc1 27300459 PEZRSZDZLSSFBA-MDWZMJQESA-N 406.511 4.602 0 40 HJAB CCN(CC)C(=O)c1cnc2ccccc2c1S(=O)(=O)c1ccc(C(C)C)cc1 33249449 KDZWNWICUMQDHT-UHFFFAOYSA-N 410.539 4.673 0 40 HJAB CCc1nc2sc([C@@H](c3ccccc3Cl)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 36104802 KMKCQFCXEQKKPF-GDZNZVCISA-N 404.967 4.780 0 40 HJAB CCN(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccsc1 40103892 XGLBNJGPCWMVBF-SFHVURJKSA-N 415.559 4.994 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)Cc1ccc(Cl)cc1 40112179 VVLLFLFLKWDNDM-ZDUSSCGKSA-N 415.946 4.993 0 40 HJAB CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1cccc(F)c1 40143024 FQOWXFVUQYMVPL-UHFFFAOYSA-N 417.234 4.710 0 40 HJAB CCOC(=O)/C=C(\C)N/N=c1\cc(CC)c2cc3c(cc2o1)OC1(CCCCC1)CC3 41128119 GVHHQGHLHUZZTR-GHPYDSBSSA-N 424.541 4.895 0 40 HJAB Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccccc1F 45890987 JXYFFNMDJXNBFG-UHFFFAOYSA-N 416.088 4.802 0 40 HJAB C[C@@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccc(Cl)c(Cl)c1 58057356 HUQKQDCMUHFNCA-CYBMUJFWSA-N 406.313 4.999 0 40 HJAB O=C(CSCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccccc1 59271719 GMNMTRBARBSHJL-UHFFFAOYSA-N 417.943 4.774 0 40 HJAB CCN(C(=O)CSc1nccn2nc(-c3ccccc3)cc12)c1cccc(C)c1 64591368 UKXASYADSOBTMD-UHFFFAOYSA-N 402.523 4.850 0 40 HJAB CCCCn1c(SCC(=O)Nc2c(C)cccc2Cl)nc2cc(C)[nH]c2c1=O 67238554 DUMNIYXDUKZOJH-UHFFFAOYSA-N 418.950 4.526 0 40 HJAB COc1c(C)cccc1C(=O)N1CCC[C@@H]1c1cccc(Nc2nc(C)cc(C)n2)n1 72375699 BYKMDHRJCMSSTO-HXUWFJFHSA-N 417.513 4.526 0 40 HJAB O=C(c1ccco1)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1ccc2nccnc2c1 89774590 IRXFRIZERKYGCQ-HXUWFJFHSA-N 402.841 4.868 0 40 HJAB NC(=O)c1cc(N2CCCCC2)ccc1NCc1ncc(-c2cccc(Cl)c2)o1 97220738 JUVMDSYKKQLZBS-UHFFFAOYSA-N 410.905 4.696 0 40 HJAB Clc1cccc([C@H]2C=C(c3ccc(Br)cc3)Nc3nnnn32)c1Cl 101070159 DZGSUZIPSWMACY-CQSZACIVSA-N 423.101 4.798 0 40 HJAB Cc1ccc(C)c([C@@H]2C[C@H]3C[C@H]2[C@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)c1 102638586 DVHJAOIKKDPRIM-YRJNGXSBSA-N 424.338 4.995 0 40 HJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)OC)c2)o1 222902542 MOVYCIVRMCUBGC-RTWAWAEBSA-N 421.522 4.511 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 223042608 QZKDXJGEKFVVFQ-HSZRJFAPSA-N 408.586 4.779 0 40 HJAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)N4CCc5ccccc5C4)ccc32)c1 223084914 IJLSPXRUPUSUMZ-UHFFFAOYSA-N 410.517 4.787 0 40 HJAB O=C(NC12CC3CC(CC(C3)C1)C2)/C(=C/c1cccs1)NC(=O)c1ccccc1 223152757 LWICCMBMINAYCN-MTJSOVHGSA-N 406.551 4.604 0 40 HJAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223476429 UBUHSBYBHIKCGG-RUZDIDTESA-N 418.512 4.930 0 40 HJAB CCc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 223859027 BRUSWQYSFVASNT-SFHVURJKSA-N 422.550 4.849 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224836577 BKTOAEKHVNJCKK-HXUWFJFHSA-N 424.560 4.933 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1C1CCCC1 225005794 PNLWHDJCRJDSIX-CVEARBPZSA-N 408.390 4.821 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 225243014 LGMODESSVCBJRQ-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB COc1cccc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(F)cc3)O2)c1O 257231930 GITPOGIAPAHKBI-MZKRTTBSSA-N 401.478 4.664 0 40 HJAB COc1ncccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257312811 UPQFUTCKDIJQGA-LJQANCHMSA-N 411.889 4.690 0 40 HJAB O=C(N1CCOC[C@H](Cc2cccc3cnccc23)C1)C1(c2ccccc2)CCCC1 257344629 ZYBKCSVLJQOQOX-OAQYLSRUSA-N 414.549 4.764 0 40 HJAB CCc1ccc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 408645930 MTULBVMMUNXKSB-UHFFFAOYSA-N 410.297 4.897 0 40 HJAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(Cl)c3C)C(=O)[C@H]2C1 408679126 GFCAXBPYUCERHJ-WBVHZDCISA-N 408.885 4.746 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C 408701304 VXRLNMNVUHDLJA-UHFFFAOYSA-N 414.571 4.539 0 40 HJAB COc1ccccc1OCc1ccc(C(=O)OCC(=O)c2ccccc2Cl)cc1 409178516 JCWABFGSMLKEGT-UHFFFAOYSA-N 410.853 4.967 0 40 HJAB CC(C)CNC(=O)c1cc2ccc(OC(=O)c3cccc4ccccc34)cc2oc1=O 937088 DYAILNXTSGSWEU-UHFFFAOYSA-N 415.445 4.551 0 40 HJAB O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)N1CCCCCC1 1332797 KUCDGDOSBYNGKL-UHFFFAOYSA-N 401.601 4.942 0 40 HJAB CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccc(F)c(F)c4)n3)ccc21 1366702 QQJOCKZQPNZRGM-UHFFFAOYSA-N 413.449 4.640 0 40 HJAB COc1ccc(NC(=O)c2sc(NC(=O)c3ccc(Cl)cc3)nc2C)cc1 1376047 ZSMATUZFLHLHGT-UHFFFAOYSA-N 401.875 4.618 0 40 HJAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1960787 KVGXTXZEQPNKTC-RUDMXATFSA-N 413.779 4.563 0 40 HJAB CC(C)Sc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)C[C@H](C)CC4 2292038 CJJFKXOWFXKMMY-CYBMUJFWSA-N 410.568 4.720 0 40 HJAB CCCc1nc2sc3c(N(CCO)Cc4ccccc4)ncnc3c2c2c1CCC2 2436657 CQAPMRCKIWBNQM-UHFFFAOYSA-N 418.566 4.680 0 40 HJAB NC(=O)N[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cc1 3334299 BFNTVBXIWJFRQH-CQSZACIVSA-N 420.218 4.750 0 40 HJAB COc1cccc(N2CCN(C(=O)c3sc4cc(F)ccc4c3Cl)CC2)c1 3440464 FGCDKELHLOMESL-UHFFFAOYSA-N 404.894 4.665 0 40 HJAB COc1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1Cn1nc(C)c(Cl)c1C 4029379 BQYWCJJQPLWGRS-QHCPKHFHSA-N 420.944 4.927 0 40 HJAB biogenic COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C2)cc1 4070915 UJNILVYYMGPEKJ-QHCPKHFHSA-N 406.507 4.544 0 40 HJAB CN1C(=O)[C@@]2(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c2ccccc21 4426610 YBNVITVFXHUKTR-URXFXBBRSA-N 415.880 4.713 0 40 HJAB COC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCCCC2 4611512 PTRLQILIVBNPMD-UHFFFAOYSA-N 401.528 4.774 0 40 HJAB COc1ccc(-c2nc3cc(C)ccn3c2NCc2ccc3c(c2)OCO3)cc1OC 4848441 MIAJTKWBDYHTNZ-UHFFFAOYSA-N 417.465 4.668 0 40 HJAB CCN(CC)CCN(C(=O)Cc1ccccc1)c1nc2ccc(Cl)cc2s1 5121895 AHRAVIWTPOSJKB-UHFFFAOYSA-N 401.963 4.867 0 40 HJAB COCc1c(C(=O)O[C@H](C)C(=O)NCCC2=CCCCC2)sc2cccc(F)c12 5563688 QWVWQYPYAKKBNV-CQSZACIVSA-N 419.518 4.739 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 5947037 KUGLPCUZGZNPQF-JOCHJYFZSA-N 404.441 4.528 0 40 HJAB C1=CC[C@H]([C@@H](NCCc2c[nH]c3ccccc23)c2nnnn2C2CCCCC2)CC1 6062619 BLGOQPZKWQOVKY-FDDCHVKYSA-N 404.562 4.889 0 40 HJAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC1CC(C)(C)NC(C)(C)C1 6607303 HBYFJLXNWBODSU-UHFFFAOYSA-N 416.569 4.887 0 40 HJAB CCCN(CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 6638217 CZIOUGBWFBOVFG-IBGZPJMESA-N 403.526 4.826 0 40 HJAB COc1ccc(-c2nc3c4c(C)c(C)n(C5CCCCC5)c4ncn3n2)cc1OC 6760381 UZZMSHLABVIZLQ-UHFFFAOYSA-N 405.502 4.885 0 40 HJAB CSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 6784534 ZAFYEDWUQPFZQA-UHFFFAOYSA-N 404.538 4.523 0 40 HJAB CCCCSc1nnc(NC(=O)c2nc(SCCC)ncc2Cl)s1 6810532 JLGAKGMNVRSNLS-UHFFFAOYSA-N 403.986 4.628 0 40 HJAB CCOc1ccc(C[C@@H]2SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OCC 6964434 TWSSRSKKCYAJHH-IBGZPJMESA-N 419.930 4.944 0 40 HJAB Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1F 7235896 UFYLPSIXCRQPCD-UHFFFAOYSA-N 411.289 4.659 0 40 HJAB O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CC[C@@H]2CCCC[C@H]2C1 8193104 HHMQHUXMTGNACB-ICSRJNTNSA-N 410.583 4.904 0 40 HJAB c1ccc([C@H]2Sc3nnc([C@H]4CCCO4)n3N=C2c2c[nH]c3ccccc23)cc1 8278809 HOKONEQXAMFALV-UYAOXDASSA-N 401.495 4.710 0 40 HJAB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 8720518 FETVDIYATCFHBZ-INIZCTEOSA-N 403.482 4.760 0 40 HJAB CC(C)[C@@H](NCC(=O)Nc1ccc2ccccc2c1)c1ccc2c(c1)OCCCO2 8734765 LDUPWEVKSUKQFU-RUZDIDTESA-N 404.510 4.927 0 40 HJAB COc1ccc(-c2cc(=O)c3cc(NC(=O)c4cccc(OC)c4)ccc3o2)cc1 9660146 BVFSTSMVGMSPPV-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB biogenic O=C(Nc1c(C(=O)c2ccc3c(c2)OCCO3)oc2ccccc12)c1cccc(F)c1 10233248 KBVWWVAKADZDIZ-UHFFFAOYSA-N 417.392 4.826 0 40 HJAB CCOC(=O)c1cnc2c(OC)nccc2c1Sc1ccc(Br)cc1 12411192 MYECQUUFAMTMPD-UHFFFAOYSA-N 419.300 4.729 0 40 HJAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCOc1ccccc1Cl 12539529 YSDQVBDTOZLNPJ-HNNXBMFYSA-N 409.873 4.853 0 40 HJAB Cc1ccc([C@H](NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c2ccccc2)cc1C 12998498 HBJJBRPMUSQLKX-LADGPHEKSA-N 416.521 4.654 0 40 HJAB COc1cc([C@H]2S[C@H](C)C(=O)N2CCc2ccccc2)cc(OC)c1OC(F)F 13133946 UDBQLGBBBVRTSZ-ZUOKHONESA-N 423.481 4.510 0 40 HJAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1cc2cc(Br)ccc2o1 13725838 OGOVQZKSINJUGT-UHFFFAOYSA-N 401.235 4.788 0 40 HJAB O=C(COc1ccc2ccccc2c1)Nc1ccccc1C(=O)NCCc1ccccc1 13990851 JXCXHYCSGGWDRA-UHFFFAOYSA-N 424.500 4.830 0 40 HJAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 14024268 QVMVSVOPQPOZNA-MBSDFSHPSA-N 402.494 4.974 0 40 HJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 14401447 GWXYUZNSFNPPGB-QFIPXVFZSA-N 410.514 4.554 0 40 HJAB CCc1nc2ccccc2n1C1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1 14976938 VFINORKTHQRPLO-UHFFFAOYSA-N 402.498 4.566 0 40 HJAB O=C(O)c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)c1cccc2ccccc12 16526246 DQUYIXOIWGQZRS-UHFFFAOYSA-N 419.289 4.972 0 40 HJAB COc1cccc(CN2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c34)C2)c1 19568895 JUQSXCZCBFQKIE-OAHLLOKOSA-N 405.420 4.938 0 40 HJAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(I)cc1 20494757 KPXPPJWBRIJUSL-CYBMUJFWSA-N 409.267 4.821 0 40 HJAB COc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@H](C)c2ccccc2C)cc1 24981443 VKQWJCITZPFIAL-GOSISDBHSA-N 417.509 4.545 0 40 HJAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)CCc1ccccc1 27921404 MAQXFVJNQISVOP-UHFFFAOYSA-N 412.331 4.882 0 40 HJAB CC(=O)N1CCc2cc(NC(=O)c3ccccc3C(=O)c3ccc(C)c(C)c3)ccc21 29691730 VWRCAFPPQZVVIM-UHFFFAOYSA-N 412.489 4.696 0 40 HJAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C(F)(F)F)cc3)N(C)C)no2)cc1 32622377 VQMRFUZQGINPLA-IBGZPJMESA-N 417.431 4.702 0 40 HJAB COc1ccccc1CN1[C@H]2CCC[C@@H]1CC(NC(=O)C13CC4CC(CC(C4)C1)C3)C2 35289826 KWPSSTUSOWDMBM-JCONFUPYSA-N 422.613 4.913 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 40087355 GARJTIDQBNYGJS-LBPRGKRZSA-N 406.964 4.899 0 40 HJAB NC(=O)N[C@@H](CC(=O)Nc1ccccc1Cc1ccccc1)c1ccc(Cl)cc1 40159513 AJILUWYDGBKFQH-NRFANRHFSA-N 407.901 4.669 0 40 HJAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)COc1ccc(Cl)cc1Cl 45890261 FCTVNQJANSVKCG-UHFFFAOYSA-N 411.314 4.523 0 40 HJAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cccc(Cl)c1C 48375387 QJTBYPLRZLKKGS-KRWDZBQOSA-N 407.297 4.554 0 40 HJAB CN(Cc1ccc(C(F)(F)F)cc1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S 52569676 GJRJSWSDDKZFOR-UHFFFAOYSA-N 419.476 4.919 0 40 HJAB Cc1[nH]c2ccccc2c1[C@H](c1ccccn1)N1CCN(c2ccccc2F)CC1 54114374 CCVNWUIPFMAOTJ-VWLOTQADSA-N 400.501 4.922 0 40 HJAB O=C(c1ccc(O)cc1)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 55315363 QHLUDGIKHZZCOV-UHFFFAOYSA-N 413.473 4.751 0 40 HJAB COc1ccc(CN2CCC[C@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)c(C)c1C 72330594 JJKKJDIFSMJYBC-DHLKQENFSA-N 421.585 4.577 0 40 HJAB COc1cc(/C=C/C2=CCN(C)CC2)ccc1OCC(=O)Nc1ccccc1Cl 72346472 QNXJLERDJHDYTC-BQYQJAHWSA-N 412.917 4.641 0 40 HJAB Cc1ccc([C@]2(C)NC(=O)N(Cc3cnc(-c4ccc(C(C)C)cc4)s3)C2=O)o1 84195220 HPQQJVWPZANNRX-QFIPXVFZSA-N 409.511 4.802 0 40 HJAB Cc1noc(C)c1Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 90610235 RIKOTCNEGSIEQB-UHFFFAOYSA-N 404.348 4.757 0 40 HJAB O=C(C[C@H]1CCOc2ccccc21)N(c1nccs1)[C@H]1CCCc2cccnc21 95997596 IHDIIHDSCCGJCR-MJGOQNOKSA-N 405.523 4.905 0 40 HJAB CCc1ccc(NC(=O)[C@@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)cc1 96037496 SXDIITBMJZMHGC-DEOSSOPVSA-N 402.542 4.765 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219321749 QJLYUZJILYEYCE-ZWKOTPCHSA-N 403.906 4.925 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1Cc1ccccc1 222826454 NENWEYNQHCHQKK-GOTSBHOMSA-N 404.583 4.929 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 223653754 QMTUMXIQMLUSAL-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1 223660421 DYYRPWLJWCQDAN-QHCPKHFHSA-N 424.585 4.577 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c(Cl)c1Cl 224866779 IEAAPKUKLMTPQE-UHFFFAOYSA-N 416.204 4.701 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCSCc2ccc(Cl)cc2)c1 225303413 FQRQALSVSXEWQY-UHFFFAOYSA-N 408.976 4.737 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C 225554564 MIGQBJXJCYLCLS-GGAORHGYSA-N 424.585 4.713 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 225556919 VSFDRCUCMVPQQR-SIKLNZKXSA-N 412.599 4.809 0 40 HJAB CCCO[C@@](C)(C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1)C1CC1 225672914 MYVNTALTXNSVKF-YADARESESA-N 402.579 4.864 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@@H](C)C1 225715088 GMQQFSBSJNCBED-HYBUGGRVSA-N 402.579 4.721 0 40 HJAB CCCCC(=O)N1CCC[C@H]1c1ccc(C(=O)O)c(COc2ccc(Cl)cc2)n1 257274948 NNIDUQWUFKSZPN-FQEVSTJZSA-N 416.905 4.866 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@H](C)c3ccccc3C)c2)cc1 260566838 YDKQELCSPBZUNS-LJQANCHMSA-N 422.550 4.620 0 40 HJAB Cc1ccc(CNC(=S)Nc2nc(N3CCC[C@H](C)C3)cc(C(F)(F)F)n2)cc1 260720758 UBUUBGHOULDBHZ-AWEZNQCLSA-N 423.508 4.527 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1NC(=O)c1ccccc1 408550331 CUXSZBKBGLVOFX-UHFFFAOYSA-N 424.522 4.872 0 40 HJAB Cc1cc(/C=C2/SC(=O)NC2=O)cc(C)c1OCc1ccc(Br)cc1 408855607 HADPDEUOIRWENH-CXUHLZMHSA-N 418.312 4.969 0 40 HJAB CCOc1cc(CNc2cccc(Cl)c2C)cc(I)c1O 409116346 LPPKHJQVQGRMGB-UHFFFAOYSA-N 417.674 4.969 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(F)(F)F)cc3)C2=O)cc1 409151978 IKHHXGBNGWIDLG-YBEGLDIGSA-N 420.412 4.689 0 40 HJAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3)C2=O)cc1 409177176 CVDNJGGGRFFSPA-GZTJUZNOSA-N 400.887 4.577 0 40 HJAB COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccccc5)coc4c32)cc1 524729519 WRCUZIKPPFLTPP-KRWDZBQOSA-N 414.413 4.615 0 40 HJAB biogenic CCN1CCCCCCN(C(=O)C2CC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582140 MEAYRWJNXGDOMW-GGAORHGYSA-N 412.574 4.651 0 40 HJAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3[C@@H](C)Cc4cc(F)ccc4[C@@H]3C)C2)c1 1544830430 VRDNYCFCYLGGIG-UFYCRDLUSA-N 422.544 4.829 0 40 HJAB O=C(O)c1cc(-c2cc(Br)ccc2O)nc2ccc(Br)cc12 647564 XROWZQQYNPHJPG-UHFFFAOYSA-N 423.060 4.831 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)c1 851199 QCCLIALWXWUNSZ-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB CCc1ccc2[nH]c(=O)c(CN(C(=S)NCc3ccccc3)C3CCCC3)cc2c1 924182 XAPUQMHQGZHABY-UHFFFAOYSA-N 419.594 4.910 0 40 HJAB Cc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cc4cccc(C)c4nc3Cl)C2)cc1 1299086 VPLZGKOIDSFGDN-LJQANCHMSA-N 413.930 4.616 0 40 HJAB O=S(=O)(N[C@@H](c1ccc(Cl)s1)C(Cl)(Cl)Cl)c1ccccc1 1446360 IEUQPFOBNHSSCV-NSHDSACASA-N 405.155 4.791 0 40 HJAB COc1ccc(C(=O)Oc2ccc3cc(-c4nc5ccccc5o4)c(=O)oc3c2)cc1 1463778 HUCHTZQTGIPDBN-UHFFFAOYSA-N 413.385 4.829 0 40 HJAB biogenic CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cccnc3Cl)ccc21 2617968 RLUOXMZNHYSVCX-UHFFFAOYSA-N 407.857 4.658 0 40 HJAB O=C1/C(=C/Nc2cccc(C(F)(F)F)c2)c2ccccc2C(=O)N1c1nccs1 3274067 HDXBRFTZPGOKKK-LFIBNONCSA-N 415.396 4.802 0 40 HJAB Cc1ccc(-c2nc(C)sc2C2=C(c3ccc4c(c3)OCCO4)COC2=O)cc1 3280193 PZLSQFDERHEKTR-UHFFFAOYSA-N 405.475 4.666 0 40 HJAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)N1CCCCCC1 3317183 YTGZADPSDOYGNV-UHFFFAOYSA-N 418.632 4.930 0 40 HJAB CCCn1c(SCC(=O)c2ccc(OC)cc2OC)nnc1-c1cccc(C)c1 3430184 NYBJMHCUAKRJCY-UHFFFAOYSA-N 411.527 4.656 0 40 HJAB O=C(c1cccc2ccccc12)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 5182112 HMACOBIBWJXJER-UHFFFAOYSA-N 409.461 4.690 0 40 HJAB Cc1ccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(C)cc2)CCC3)cc1 5252944 PITLWQHNYUMSLA-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 5952125 JCTZWJWHXUZEQI-ZDUSSCGKSA-N 407.297 4.774 0 40 HJAB COc1ccc(NC(=O)CC2CCCC2)cc1S(=O)(=O)Nc1ccccc1Cl 6449103 BCKOAUXYEHADLI-UHFFFAOYSA-N 422.934 4.668 0 40 HJAB Cc1ccc(Cn2nc(C)c3cc(C(=O)Nc4nnc(C5CC5)s4)sc32)cc1 6510125 OMBBMMRARCTGKE-UHFFFAOYSA-N 409.540 4.744 0 40 HJAB COc1ccccc1CC(=O)N(Cc1nc(-c2ccc(C)cc2)no1)C1CCCCC1 7759172 SLXJIZIXYBVKIO-UHFFFAOYSA-N 419.525 4.958 0 40 HJAB CCOc1ccc(CCNC(=O)c2ccc(C3SCCS3)cc2)cc1OCC 7780801 QXEWLPDVJMBEOC-UHFFFAOYSA-N 417.596 4.935 0 40 HJAB CCOc1ccc(OCCC(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1 7975656 OPZCPSGIBNWZRC-UHFFFAOYSA-N 419.477 4.703 0 40 HJAB CCCCc1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 8040723 OCAZSURTWYFGKL-UHFFFAOYSA-N 422.978 4.868 0 40 HJAB C[C@@H](Oc1cccc(C(=O)NCc2ccccc2)c1)C(=O)Nc1ccc2c(c1)CCC2 8156327 DNEKHKLZBMGTNX-GOSISDBHSA-N 414.505 4.511 0 40 HJAB CCN(CC)C(=O)[C@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 8394041 SVWFLSWZUFFYTP-HXUWFJFHSA-N 417.538 4.517 0 40 HJAB COc1cccc(C(=O)Nc2cccc(OC(=O)c3ccc(Br)o3)c2)c1 8449862 MSFNMPSRQRNTGF-UHFFFAOYSA-N 416.227 4.522 0 40 HJAB COc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Br)cc1 8917567 CNVOAZQBSQNXAQ-UHFFFAOYSA-N 400.272 4.893 0 40 HJAB Fc1ccc([C@H]2c3[nH]cnc3CCN2C(=S)Nc2ccc(C(F)(F)F)cc2)cc1 9382427 WLEADXSKRWMVBO-SFHVURJKSA-N 420.435 4.912 0 40 HJAB Cc1ccc(Sc2ccc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc2)c(C)c1 9467422 XVNWAPRZAFJPBI-UHFFFAOYSA-N 424.547 4.750 0 40 HJAB COc1ccccc1OCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235679 MWZGUMCJOABSNA-UHFFFAOYSA-N 416.930 4.743 0 40 HJAB Fc1ccccc1-c1nnc(SCc2nnsc2Cl)n1Cc1ccccc1 12781221 WGAWBBONDXWIKO-UHFFFAOYSA-N 417.922 4.930 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12979671 MHXAHYZARIDFEL-UHFFFAOYSA-N 403.526 4.890 0 40 HJAB COc1ccc(CCNC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 13110251 AAQGBTKCQJFCKR-UHFFFAOYSA-N 419.308 4.596 0 40 HJAB COc1ccccc1C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 13750058 WFDGTKMGTXHKQH-UHFFFAOYSA-N 404.510 4.820 0 40 HJAB COc1ccc(CCN[C@H]2C3=C(CCCC3)C(=O)N2[C@H](C)c2ccccc2)cc1OC 13943759 RSMADMFDHHKCIQ-IQGLISFBSA-N 420.553 4.636 0 40 HJAB Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)n(-c2nc(-c3cccs3)cs2)n1 17012012 PSYXUSOWGYGRJR-AWEZNQCLSA-N 410.524 4.772 0 40 HJAB Cc1cc(-c2cncnc2)cc([C@H]2CCCN2Cc2cc3ccccc3nc2N(C)C)n1 19691047 MACUHSUXNWBGBI-RUZDIDTESA-N 424.552 4.798 0 40 HJAB COc1ccc(NC(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)c(OC)c1 23136862 JMAYHUPWTXQHCJ-UHFFFAOYSA-N 421.425 4.758 0 40 HJAB O=C(c1cc2ccccc2o1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 24918400 ZXEABKJISKPBAP-UHFFFAOYSA-N 421.497 4.653 0 40 HJAB O=C(NC1CC1)c1ccc(CN(C(=O)c2csc(-c3cccs3)n2)C2CC2)cc1 26110023 DRWKJERKQOKVQH-UHFFFAOYSA-N 423.563 4.569 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccn(COc2cccc(Cl)c2Cl)n1 27972587 PEWPZQJLUUIOHP-CYBMUJFWSA-N 402.281 4.818 0 40 HJAB C[C@H]1Sc2ccc(C(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)cc2NC1=O 29848606 QCKYHHUAPHTDJB-IIBYNOLFSA-N 414.530 4.907 0 40 HJAB CCCN1CN2C(Nc3ccccc3)=N[C@H](c3ccccc3)N=C2N(c2ccccc2)C1 30874478 DUEPNJDZFRHVAJ-DEOSSOPVSA-N 424.552 4.972 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)cc1 32623184 UVHWFAUEKVYGLF-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB CCOc1cc(C=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 33772548 OCZWEFMFORJYDT-UHFFFAOYSA-N 402.661 4.876 0 40 HJAB COc1ccc(Cc2nnc(Sc3ncc(C(F)(F)F)cc3Cl)o2)cc1 40023364 IPUYCHHSFYMLFU-UHFFFAOYSA-N 401.797 4.887 0 40 HJAB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1F 40131796 WNEWBUFPOWDJMI-LJQANCHMSA-N 418.468 4.654 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40140121 WZMSZVJWGJYZDL-UHFFFAOYSA-N 403.816 4.554 0 40 HJAB O=C(c1ccc(Br)cc1)N1CCc2c3n(c4ccccc24)C(=O)CC[C@H]31 40373455 SDKPSSQAEYBIIH-GOSISDBHSA-N 409.283 4.577 0 40 HJAB O=C1NCCCC[C@H]1Nc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12 48302473 NQGPRLVRSHUEMW-GOSISDBHSA-N 415.522 4.501 0 40 HJAB O=C(NC[C@H](c1cccs1)N1CCOCC1)Nc1ccccc1Cc1ccccc1 48324317 RECBUYCWZMGVHO-JOCHJYFZSA-N 421.566 4.534 0 40 HJAB CCOc1ccc(NC(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)cc1 49401739 GMVREJYCLHLFOV-UHFFFAOYSA-N 418.497 4.523 0 40 HJAB C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)CCn1cncn1 54816863 YFEZFXMLIBZAPQ-QAPCUYQASA-N 419.916 4.538 0 40 HJAB Cc1ccccc1CN1CCC(c2nnc([C@H]3CCCCN3C(=O)CC(C)C)o2)CC1 72344952 VKSMNBRKQZFZTK-JOCHJYFZSA-N 424.589 4.857 0 40 HJAB Cc1oc(C2CC2)cc1C(=O)N1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 72347879 FEIDFXFGAOJTEB-UHFFFAOYSA-N 400.862 4.504 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 222626040 WVVRQUCPKVFJIB-XUZZJYLKSA-N 408.586 4.611 0 40 HJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 222940429 XQTNYLBJFJVKIN-HXUWFJFHSA-N 407.514 4.816 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NC(C)(C)C)cc1 223302870 KPVULSWUOUCICH-HSZRJFAPSA-N 424.585 4.658 0 40 HJAB CC[C@H](NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1)c1ccccc1 224298970 NKLAXIAVFCGDBM-QFIPXVFZSA-N 422.550 4.701 0 40 HJAB Cc1cc(C)cc(N(CCCC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)c1 224716336 AFLIMRVFWDDASN-UHFFFAOYSA-N 410.539 4.642 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224848032 QWODUANAFCKYPK-IBGZPJMESA-N 410.533 4.543 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 225120672 WPYWLBIYBIPOKT-LEWJYISDSA-N 424.585 4.829 0 40 HJAB O=C(Nc1ccc(Cc2ccncc2)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 225175983 VEOCXGLOLFIHRO-MOHJPFBDSA-N 423.472 4.675 0 40 HJAB CCc1nc2ccc(NC(=S)N[C@@H](CC(=O)O)c3ccc(F)cc3)cc2s1 225229510 HFVVTVGJASSTPK-HNNXBMFYSA-N 403.504 4.500 0 40 HJAB COC(=O)c1cc(NC(=S)NCCCc2ccc(OC(C)C)cc2)ccc1Cl 225569183 GLVUHDUKXSIBBR-UHFFFAOYSA-N 420.962 4.833 0 40 HJAB COc1ccc([C@@H]2CN(Cc3ccccc3)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)cc1 257210101 BTEJJIOTVYGXDO-HJOGWXRNSA-N 422.569 4.920 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)n(C)n1 257241412 HXYUOJUWUJJHNT-IBGZPJMESA-N 412.921 4.753 0 40 HJAB Cc1cccc(Nc2cc(C)nc(C3CCN(C(=O)CC4(O)CCCCC4)CC3)c2)n1 257302336 SCNJMPSUMSACLQ-UHFFFAOYSA-N 422.573 4.628 0 40 HJAB CCc1ccccc1CN(Cc1ccccc1)C(=O)COc1cc(C)ccc1C(=O)O 257321518 WBZSPDDFNKGTOQ-UHFFFAOYSA-N 417.505 4.863 0 40 HJAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)C1=O 409013394 NFKJCQUMEWDVGA-AWOYWQDDSA-N 411.907 4.505 0 40 HJAB Cc1cccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1C 409028673 PXFBWKXTTUTFOL-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3cccc(Cl)c3)c2)o1 409171661 CBSZOIGUFIUTSM-UHFFFAOYSA-N 418.232 4.861 0 40 HJAB CCCN1C(=O)S/C(=C/c2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)C1=O 409249533 UPQQWXXXZZMWMV-UDWIEESQSA-N 420.490 4.834 0 40 HJAB O=C1Cc2cc(NC(=O)c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)ccc2N1 504250469 DZBGFGXOZITGMJ-UHFFFAOYSA-N 418.840 4.533 0 40 HJAB FC(F)Oc1ccccc1CN1CCCN(Cc2ccccc2OC(F)F)CC1 506096877 XGPAMOOLPQKYSP-UHFFFAOYSA-N 412.427 4.597 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 562008277 NJBSFDDQPONRHA-HNNXBMFYSA-N 410.417 4.756 0 40 HJAB CC(C)(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1 990055 SJHBISMGZKGULC-HHHXNRCGSA-N 413.517 4.992 0 40 HJAB Cc1nc2ccc(NC(=O)C3CCCCC3)cc2c(=O)n1Cc1ccc(Cl)cc1 1363135 BYXLGRPFNABRKM-UHFFFAOYSA-N 409.917 4.925 0 40 HJAB CC(C)OC(=O)CSc1nnc2c3c4c(sc3nc(C(C)C)n12)C[C@H](C)CC4 1376525 YQAGXLAENBTHGC-GFCCVEGCSA-N 418.588 4.631 0 40 HJAB Cc1cccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(F)c3)N(C3CCCCC3)C2=O)c1 1443563 ADCCRSWYOSDTBO-OAQYLSRUSA-N 423.488 4.633 0 40 HJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)c(OC)c1 2106247 OPSSSWJBIKGPHY-SXOLKMGYSA-N 421.537 4.612 0 40 HJAB CCSc1nc(NCCCN(CC)CC)c2c3c(sc2n1)COC(C)(C)C3 2421599 FPWJLOSVQBXOFD-UHFFFAOYSA-N 408.637 4.798 0 40 HJAB Cc1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C4CC4)c23)cc1 2791081 LWSFENNANLLBJI-UHFFFAOYSA-N 401.438 4.771 0 40 HJAB COC(=O)c1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 3217713 XYTBCZSGBYUBBV-UHFFFAOYSA-N 410.473 4.927 0 40 HJAB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 3498800 OAISUPQYWVYMKU-QGZVFWFLSA-N 415.522 4.757 0 40 HJAB Cc1ccc(C)c(N2CCN(c3ncnc4c(-c5ccc(F)cc5)nsc34)CC2)c1 4857970 WNSITSFOWVPRDC-UHFFFAOYSA-N 419.529 4.836 0 40 HJAB O=C(Nc1ccc(F)cc1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 4967122 MAGWJNLZYWEPRN-UHFFFAOYSA-N 416.909 4.957 0 40 HJAB CCc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1 5021687 XEDRAZBYBSXRPS-UHFFFAOYSA-N 404.495 4.737 0 40 HJAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)cc1OC 5107083 FSNIEYLSWJOPRB-UHFFFAOYSA-N 406.394 4.548 0 40 HJAB COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(Cl)c2)cc1OC 5256261 LPNZTJGUJNDPKP-NRFANRHFSA-N 411.889 4.796 0 40 HJAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NC(c1ccccc1)c1ccccc1 6384089 BSNNTNMUXMWUGO-SFHVURJKSA-N 412.489 4.548 0 40 HJAB Cc1ccc(OCCCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 6887017 SLBYIFAJJNQGGR-UHFFFAOYSA-N 404.514 4.778 0 40 HJAB Cc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)c(Cl)c1 7496717 PYFNBWJPKJQJHJ-UHFFFAOYSA-N 413.949 4.595 0 40 HJAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)N1c1ccccc1 8448810 XFBAPSGNWAAXCA-HSZRJFAPSA-N 419.868 4.997 0 40 HJAB O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc21 8961199 RQNIXARKVAOXJN-UHFFFAOYSA-N 418.833 4.638 0 40 HJAB CC(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCC(F)(F)F)cc1 9120402 MXZDJNZEWRXBRQ-UHFFFAOYSA-N 420.309 4.857 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 9753918 CZPJOSNYWKAEIN-JTSKRJEESA-N 422.916 4.580 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc(N3CCCCC3)n2C2CC2)c(Cl)c1 11371126 ZSOAGGVRRIOWJR-UHFFFAOYSA-N 419.982 4.604 0 40 HJAB COc1ccc2nc(-c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)cn2n1 11693384 FNDQBHJCVMPUIR-UHFFFAOYSA-N 412.371 4.676 0 40 HJAB CC(=O)NC1(c2ccccc2F)CCN(Cc2ccc3cccc(Cl)c3n2)CC1 12219482 ZAHBYHAZLUFINS-UHFFFAOYSA-N 411.908 4.655 0 40 HJAB O=C(NCC(F)(F)F)c1cccc(NCc2ncc(-c3ccc(Cl)cc3)o2)c1 12545818 VYUMYFHTFTUJMF-UHFFFAOYSA-N 409.795 4.899 0 40 HJAB CCc1ccc(N2C[C@H](C(=O)N(c3ccccc3)c3nc(C)cs3)CC2=O)cc1 12792102 RBAIXPJKTDQSCI-GOSISDBHSA-N 405.523 4.732 0 40 HJAB Cc1cc(-c2cnc(NC[C@H](c3ccccc3F)N(C)C)nc2-c2ccoc2C)on1 13226700 LTZYTHXDCZPJRK-HXUWFJFHSA-N 421.476 4.862 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3)cc2)cc1 14399982 DSUSWSAJGBPYNS-SFHVURJKSA-N 424.522 4.510 0 40 HJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)Cc1ccc2c(c1)OCO2 18156701 ZDGWTRXGSNILJY-UHFFFAOYSA-N 400.887 4.773 0 40 HJAB CCn1ncc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)c1C 19687434 JTNCHDMFSWPXBR-OAQYLSRUSA-N 424.980 4.725 0 40 HJAB CC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 20458851 IOOHOLYUXKHDIC-JOCHJYFZSA-N 422.550 4.985 0 40 HJAB Cc1nc(-c2cccc(NC(=O)COC(=O)Cc3c(F)cccc3Cl)c2)cs1 23221091 HSXMVKGWHURJHY-UHFFFAOYSA-N 418.877 4.635 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](c1cccs1)N1CCCC1 23804788 UZRIKSUXAVZHGO-XJKSGUPXSA-N 413.370 4.776 0 40 HJAB Cc1ccc(C(=O)N(C)c2ccc(OC(=O)COc3ccc(Cl)cc3)cc2)cc1 25919887 SNSBXOBNNKCHMI-UHFFFAOYSA-N 409.869 4.909 0 40 HJAB Cc1cc(C(=O)Nc2c(C)nn(Cc3ccc(Br)cc3)c2C)c(C)o1 27921521 GSFWFELCWCQFAN-UHFFFAOYSA-N 402.292 4.773 0 40 HJAB Cc1cc2oc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)c(C)c2cc1Cl 28287957 AEJZUPYHSJMBED-QGZVFWFLSA-N 418.946 4.568 0 40 HJAB CCc1ccc2oc(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)cc(=O)c2c1 28289981 ASMSKDZGKRVZTN-LJQANCHMSA-N 424.566 4.764 0 40 HJAB O=C(CCN1C(=O)CSc2ccccc21)N[C@@H](c1cccs1)C1CCCC1 32396998 MOWWBXOHPDTPTJ-OAQYLSRUSA-N 400.569 4.625 0 40 HJAB Cc1cc(NC(=O)c2nc3ccccc3nc2N2CCCC2)ccc1Br 32642793 YHQFCUSPUOETBN-UHFFFAOYSA-N 411.303 4.553 0 40 HJAB CC[C@@H]1CCc2sc(C(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)cc2C1 32983095 XAJKVMZMGJANRU-XLIONFOSSA-N 412.599 4.839 0 40 HJAB Cc1ccc2nc(C(F)(F)F)n(CC(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)c2c1 35322700 UWTXHEPOJPWOQI-MRXNPFEDSA-N 417.431 4.782 0 40 HJAB C[C@H]1CCCC[C@@H]1N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)n2c1nc1ccccc12 39964059 RKURYZYBBQHUCF-PAXLWEDBSA-N 420.488 4.671 0 40 HJAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)c[nH]c1=O 56414110 RVMPQRBIDKSPFR-UHFFFAOYSA-N 411.232 4.572 0 40 HJAB CCN(Cc1ccccc1)[C@H](c1ccccc1OC)c1nnnn1C1CCCCC1 57710478 XIYBHWUNSIZQCQ-HSZRJFAPSA-N 405.546 4.798 0 40 HJAB COc1ccc(-c2nc(C(=O)O[C@@H](C)c3nc4ccccc4[nH]3)cs2)cc1OC 58105884 AKTJSNZBSZCJAM-LBPRGKRZSA-N 409.467 4.622 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)c1C 59176106 RYAUBEUCIDODOM-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n1 72354118 IGJQPRJLKCKETA-HXUWFJFHSA-N 423.557 4.834 0 40 HJAB CCSc1nc2n(n1)[C@@H](c1ccccc1)C(C(=O)Nc1ccc(CC)cc1)=C(C)N2 80324677 CLBQQPSAFRMYSP-FQEVSTJZSA-N 419.554 4.880 0 40 HJAB Cc1cc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(C)o1 84081623 GWHIXRGSKCXAHQ-KZULUSFZSA-N 409.313 4.685 0 40 HJAB Cc1nc(-c2c[nH]c(C(=O)N3CCCCC[C@@H]3C[C@@H](O)c3ccccc3)c2)cs1 84274922 OGLXIALFLDWJMJ-DENIHFKCSA-N 409.555 4.955 0 40 HJAB Cc1cc(O[C@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc(C)c1Cl 95482273 VKANGTXJAUAJJZ-CYBMUJFWSA-N 420.296 4.744 0 40 HJAB COc1ccc(NC(=O)COc2ccc3occ(C(=O)c4ccccc4)c3c2)cc1 96184208 AMECGONGRKZCDL-UHFFFAOYSA-N 401.418 4.690 0 40 HJAB COc1cc(OC)cc([C@@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c1 102743907 HDTJTDAIVPSRKZ-WYRIXSBYSA-N 424.482 4.777 0 40 HJAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(Cl)cc2Cl)n1C 107875314 OZCZMNRUTFAKTJ-LBPRGKRZSA-N 421.353 4.905 0 40 HJAB COC(=O)c1ccc2nc(NC(=S)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)sc2c1 108224922 QOPLJGJAOXDXNN-XCLFUZPHSA-N 403.573 4.680 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1C1CCCCC1 223082944 XLQRLHSXPPOUEJ-YADHBBJMSA-N 403.555 4.573 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 223821696 HZCHQBHUMKZDBI-SFHVURJKSA-N 412.961 4.667 0 40 HJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)cc1)c1ccccc1C 223874193 QQHDGHIBZUADFW-LEYFIJQKSA-N 418.493 4.635 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224267080 BRSBWASSSMDWQW-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 224652610 IAXYZZZBCHZLTB-XMMPIXPASA-N 408.586 4.816 0 40 HJAB COc1ccc([C@H]2C[C@@H](NC(=O)c3ccccc3)[C@@H]3CCCC[C@H]3O2)cc1CN(C)C 257266838 METOWHBJYJOUHE-WREZULKGSA-N 422.569 4.576 0 40 HJAB Cc1cccc(-c2ccc(CC3(C(=O)NC(C)C)CCN(C(=O)C4CC4)CC3)cc2)c1 257272963 NEQXRZXWKINCLD-UHFFFAOYSA-N 418.581 4.748 0 40 HJAB Cc1csc2nc(SCC(=O)Nc3cccc(Cl)c3Cl)nc(O)c12 408596007 LYYZOCZDLKTGTL-UHFFFAOYSA-N 400.312 4.743 0 40 HJAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1C 408662273 REMBKPPFEHSKOA-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB COc1cc(CNc2cccc(Cl)c2C)cc(I)c1O 409111418 IQTWDLQGIWEGOE-UHFFFAOYSA-N 403.647 4.579 0 40 HJAB Cc1ccc(OCc2nn(CC(=O)Nc3cc(Cl)ccc3C)c(=S)o2)cc1 409167039 HAKJBRBISBAJIQ-UHFFFAOYSA-N 403.891 4.694 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2c(C)cccc2C)n1C 409332975 SWXSGCMXSMRJSA-UHFFFAOYSA-N 424.570 4.613 0 40 HJAB COc1ccc(C2(C(=O)N[C@H](CC(C)C)c3nc4ccccc4[nH]3)CCOCC2)cc1 606440349 UJRAFMCQBSAJTK-JOCHJYFZSA-N 421.541 4.523 0 40 HJAB biogenic c1ccc(CCSCc2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 1501039884 HJEPUZUXCQXKHW-UHFFFAOYSA-N 403.536 4.877 0 40 HJAB COCC(=O)N1CCCCCCCCN(C(=O)c2cccc(C)c2)Cc2ccccc21 2037885029 QRLBQUIXFYRHRM-UHFFFAOYSA-N 422.569 4.971 0 40 HJAB CCOC(=O)c1ccc(Nc2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)cc1 856336 HEGZLVMVSGNTNF-UHFFFAOYSA-N 422.462 4.845 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccccc2C)sc2c1CC[C@@H](CC)C2 1102494 VCFVZFQASPWYKI-OAHLLOKOSA-N 401.528 4.766 0 40 HJAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc(Cc3cccs3)nc3ccccc23)C1 1342835 SGORSFNEAJAJHL-HZPDHXFCSA-N 411.596 4.879 0 40 HJAB COc1cc(-c2nc3ccccn3c2Nc2ccc(N(C)C)cc2)cc(OC)c1OC 1414414 VEFCOMJWMITIST-UHFFFAOYSA-N 418.497 4.837 0 40 HJAB Cc1oc2cc3oc(=O)c(CCC(=O)NCc4ccc(F)cc4)c(C)c3cc2c1C 2150191 SDKSATPOIXBHOC-UHFFFAOYSA-N 407.441 4.853 0 40 HJAB biogenic CCOC(=O)Oc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 2406953 SMWUYVHBAKPHBB-SXGWCWSVSA-N 406.221 4.873 0 40 HJAB COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1ccc(C)cc1 2690292 JEQFSOHCRPSFTN-UHFFFAOYSA-N 401.437 4.737 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(O)cc2)N1Cc1ccccc1Cl 2703980 PEJLKWZTEDVZBP-NRFANRHFSA-N 417.848 4.897 0 40 HJAB COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccco1 2889626 ITYPSLBNANTOMH-UHFFFAOYSA-N 406.257 4.810 0 40 HJAB O=C(CN1C(=O)c2cccc3cccc1c23)NCCSCc1cccc(Cl)c1 3644836 APVVSBYNHGPZIK-UHFFFAOYSA-N 410.926 4.503 0 40 HJAB CCc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@@H]2c2ccc3c(c2)OCO3)cc1 3672754 GQPVCXZJUNKPFE-RUZDIDTESA-N 413.477 4.906 0 40 HJAB O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccc(Cl)cc1 4178233 AIOKXIAYCQWGKJ-UHFFFAOYSA-N 403.869 4.746 0 40 HJAB Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c1C 4491407 BENFQBYHPQHWGR-NRFANRHFSA-N 407.514 4.859 0 40 HJAB CCn1c(SCC(=O)Nc2ccccc2SC)nnc1-c1ccccc1F 4519834 MLFWUMPQYUVNEP-UHFFFAOYSA-N 402.520 4.557 0 40 HJAB CCc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(F)cc3Cl)c2=O)cc1 4905912 IQDWDFACLYOTHP-UHFFFAOYSA-N 408.860 4.556 0 40 HJAB Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc3cc4c(cc3cc12)CCC4 4929901 ISNWRTJDQULSHL-UHFFFAOYSA-N 417.490 4.544 0 40 HJAB CCC(CC)COC(=O)c1c(N)n(CCCOC(C)C)c2nc3ccccc3nc12 5081681 VZIJOBZHFAEFBZ-UHFFFAOYSA-N 412.534 4.575 0 40 HJAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)COc1cc(C)cc(C)c1 5164832 KXRIDRCWFZINNE-HRNNMHKYSA-N 423.553 4.586 0 40 HJAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1cccc2ccccc12 6099546 XDMXRYSTKOECEK-UHFFFAOYSA-N 403.294 4.920 0 40 HJAB O=C(O)/C(=C\c1ccc(OC(F)F)cc1)Sc1nnc(-c2ccc(F)cc2)o1 6566325 JSSOIMCPZGUCAP-NTEUORMPSA-N 408.357 4.695 0 40 HJAB O=C(CCn1c(=O)sc2ccccc21)Nc1ccc(N2CCCCC2)c(Cl)c1 6672424 TXXTUDZQMOENNH-UHFFFAOYSA-N 415.946 4.736 0 40 HJAB CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cccc(C)c1C)S2 6812229 ZZNTWNLYBQRVBK-LEWJYISDSA-N 421.570 4.554 0 40 HJAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)N[C@@H]1CCCc2ccccc21 6885850 VYMPJLLGPZDTFU-QGZVFWFLSA-N 402.281 4.509 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cccc(Oc3ccccc3)c2)c1C 6887033 DQYRLSCGPLKRFK-UHFFFAOYSA-N 421.449 4.640 0 40 HJAB Cc1c(-c2nsc(NC(=O)c3cccs3)n2)nnn1-c1ccc(C(C)C)cc1 6914560 UMIHFFOEZIWPOT-UHFFFAOYSA-N 410.528 4.531 0 40 HJAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2c(c1)OCCO2 7598847 CHLKHBZFJHVCNJ-UHFFFAOYSA-N 411.461 4.871 0 40 HJAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Br)c(C)c2C)CC1=O 7881971 AFANWVHHNQRKJV-MRXNPFEDSA-N 415.331 4.620 0 40 HJAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 7905123 KDCYXZTWPQGBSM-ZDUSSCGKSA-N 412.559 4.839 0 40 HJAB C[C@H](NCc1ccc(OC(F)F)cc1OC(F)F)c1ccc(-n2ccnc2)cc1 7984031 VIZFQUDZMAXHQJ-ZDUSSCGKSA-N 409.383 4.926 0 40 HJAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Br)cc2)o1 7997150 VOCPWQUGJKKGEP-JTQLQIEISA-N 414.325 4.710 0 40 HJAB COc1ccc(N(Cc2cccs2)C(=O)C[C@H](NC(C)=O)c2ccccc2)cc1 8040050 GXSOUNBNGJMATO-QFIPXVFZSA-N 408.523 4.557 0 40 HJAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1cccc(C(=O)NC2CC2)c1 8230296 YEXCRMDCBAPHAZ-UHFFFAOYSA-N 411.914 4.537 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cc1 8341077 AQHIEDVFZLKISO-NRFANRHFSA-N 424.932 4.995 0 40 HJAB CCN(CC)CC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl 9435860 JEOHXSBJGIQURG-UHFFFAOYSA-N 423.738 4.614 0 40 HJAB COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)N3CCC(C)CC3)no2)cc1 11905310 MQNUFCYCSHWOPS-QHCPKHFHSA-N 419.525 4.553 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccco1 12901892 AKINILSTQMYCSI-UHFFFAOYSA-N 415.449 4.693 0 40 HJAB CCCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 13579556 WJDXQKPCBGSKTQ-KRWDZBQOSA-N 402.903 4.503 0 40 HJAB O=C(CCCn1nc(-c2cccs2)ccc1=O)Nc1cc(Cl)ccc1Cl 13698629 LXHMPXLCYVUXRU-UHFFFAOYSA-N 408.310 4.698 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccc(CC)cc3)n2C)cc1 13871307 SUPWIFQTQJSKLF-INIZCTEOSA-N 424.570 4.811 0 40 HJAB CCn1c(SCC(=O)Nc2c(F)cccc2F)nnc1-c1cc2ccccc2o1 13956578 CFRVKQILUFQPTE-UHFFFAOYSA-N 414.437 4.720 0 40 HJAB Cc1[nH]c(=S)sc1CC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 14250889 RRVZHRZMUPPBQZ-UHFFFAOYSA-N 401.538 4.843 0 40 HJAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(C(C)C)cc1 14291320 CECAUGPYCXAVPU-UHFFFAOYSA-N 407.499 4.546 0 40 HJAB C[C@@H](SCc1cc(Cl)c2c(c1)OCO2)c1nc(N)nc(Nc2ccccc2)n1 14703505 CNQZLDBAHOJAKB-LLVKDONJSA-N 415.906 4.574 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 15883030 LKOGDIKIAQVAND-UHFFFAOYSA-N 424.781 4.960 0 40 HJAB C[C@H](NC(=O)C(=Cc1cccs1)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 16035408 VONGLCNXHWJENU-HDICACEKSA-N 404.535 4.886 0 40 HJAB O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 17093732 XHMUGANPMWVCCA-UHFFFAOYSA-N 423.925 4.648 0 40 HJAB CC(C)(C)c1cc(C(F)(F)F)n2nc(C3CCN(Cc4cccnc4)CC3)cc2n1 19083846 XWRHAVJGQNPLFB-UHFFFAOYSA-N 417.479 4.820 0 40 HJAB Cc1ccc(NC(=O)c2cc(C3CCN(C(=O)c4ccccc4F)CC3)no2)cc1C 19214074 HDLMFNHOXIQVQU-UHFFFAOYSA-N 421.472 4.703 0 40 HJAB Cc1ccc(-c2csnn2)cc1NC(=O)CCc1c(C)nn(-c2ccccc2)c1C 19717245 STSVINZTKWTECT-UHFFFAOYSA-N 417.538 4.887 0 40 HJAB C[C@@]1(C2CCN(C(=O)c3ccccc3)CC2)CCCCN(CCc2ccccc2)C1=O 19744866 HWAWWPDGASOXRQ-MHZLTWQESA-N 418.581 4.800 0 40 HJAB CCc1c(C(=O)Nc2cccc(Cl)c2C)nnn1-c1ccc(OC(F)F)cc1 19911078 SLIDLLRPZOSBBK-UHFFFAOYSA-N 406.820 4.645 0 40 HJAB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 20140250 VYXMYLVALDKUMS-UHFFFAOYSA-N 405.328 4.925 0 40 HJAB CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccc(F)cc2)cc1OCC 22053880 LROTUZQPMBQTKN-UHFFFAOYSA-N 423.488 4.925 0 40 HJAB COc1cc(NC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)cc(OC)c1 25177080 UKVYXKTYIDNHBS-UHFFFAOYSA-N 409.467 4.838 0 40 HJAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)NCc1ccc(Cl)cc1 32578763 BVFDHNQJMPKSEH-UHFFFAOYSA-N 419.868 4.752 0 40 HJAB C[C@@H](NC(=O)CCC(=O)c1cccs1)c1cccc(NC(=O)c2ccccc2)c1 36394687 SSOWSDRNSMLPGS-MRXNPFEDSA-N 406.507 4.841 0 40 HJAB CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3C)cn(Cc3ccccc3Cl)c12 39556370 ZTIFUXZTOCZTEK-NDENLUEZSA-N 423.969 4.935 0 40 HJAB COc1cc2c(cc1NC(=O)N1CCN(c3ccccc3O)CC1)oc1ccccc12 40097960 YTFGUXOVJBYLDK-UHFFFAOYSA-N 417.465 4.654 0 40 HJAB CCOC(=O)c1sc2nc(/C(Cl)=C/c3cc(F)ccc3F)nc(O)c2c1C 40139671 ARNIUHZPERNQBR-XFFZJAGNSA-N 410.829 4.897 0 40 HJAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(N2CCCC2)c1 40146363 ZJZPTOWHCVJCJY-DEOSSOPVSA-N 413.521 4.787 0 40 HJAB Cc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C(C)C)cc4)[nH]n3)C[C@@H]2C)cc1 57413303 OVYRKKZKRXGMRN-IBGZPJMESA-N 402.542 4.859 0 40 HJAB COc1ccc2cc(CN(Cc3cccnc3)Cc3cccs3)c(OC)nc2c1 57796983 MXJAMBZCXPYCRO-UHFFFAOYSA-N 405.523 4.911 0 40 HJAB CCOc1ccc(NC(=O)c2c(NCc3ccccc3)nn3c(C)cc(C)nc23)cc1 66087664 JVGHLQMRAVJEPJ-UHFFFAOYSA-N 415.497 4.609 0 40 HJAB Cc1csc(-c2cccc(C(=O)N3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)c2)n1 89708853 VUZDHVVZJRUDIM-LJQANCHMSA-N 415.522 4.881 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cccc(OC(F)F)c2)S1 96117955 HLYYHQLIGMENQV-CJNGLKHVSA-N 423.485 4.794 0 40 HJAB COc1cccc(-c2noc3nc(C)cc(C(=O)N[C@H](C)[C@H]4C[C@@H]5CC[C@@H]4C5)c23)c1 102448425 VHUMOFQGOJFRHK-YKTARERQSA-N 405.498 4.761 0 40 HJAB Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]1c1cccs1 102912285 QZCDVQBDBIBHHP-UFYCRDLUSA-N 424.909 4.761 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222740981 IOOFIMFFSIWERF-FQEVSTJZSA-N 408.586 4.822 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 223009159 YJNRDFJFXWXBDG-XMMPIXPASA-N 402.538 4.634 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 223082172 DERPUIWQPIULDT-HZPDHXFCSA-N 421.368 4.868 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 223141052 FPBAYOJMBGWDCI-NRFANRHFSA-N 424.585 4.831 0 40 HJAB S=C(NCc1ccccc1Cl)Nc1ccc(N2CCc3ccccc3C2)nc1 223935558 OIINLOIMPFTIST-UHFFFAOYSA-N 408.958 4.784 0 40 HJAB O=C(NC1CCCCCC1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223975205 KLYSPQIUKHPOAQ-UHFFFAOYSA-N 406.935 4.593 0 40 HJAB Cc1cccc(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 224052036 OSWCDDPSKGZKOX-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 224311796 FWVJFZYKCNMDDD-HXUWFJFHSA-N 418.990 4.517 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1Cl 224534878 CKWKANWEZDOKAZ-SFHVURJKSA-N 400.950 4.718 0 40 HJAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)N[C@@H](C)CC)cc1 225450373 VAUASSKOZWQDQB-LEWJYISDSA-N 408.586 4.556 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 225526722 OJFZGOQRKPMUSG-URXFXBBRSA-N 408.586 4.876 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2c(C)cc(C)cc2C)cc1 225800495 HRKSZAVKYDQSHT-STZFKDTASA-N 404.466 4.623 0 40 HJAB COc1ccc(CCC(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C 225874127 XFHSRWLWUOFFSW-UHFFFAOYSA-N 421.541 4.942 0 40 HJAB CC(C)c1ccc(NC(=O)CN2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1 257222289 DSSITBDOODWRMY-AHWVRZQESA-N 422.569 4.589 0 40 HJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C[C@H]2CCCO2)cc1 260909925 AVCFYKFTWMSDBA-UEVCKROQSA-N 418.566 4.548 0 40 HJAB CN1CCN(C(=S)c2cc(Cl)ccc2OCc2c(F)cccc2Cl)CC1 408571947 DMHNTKKXDWFZAS-UHFFFAOYSA-N 413.345 4.634 0 40 HJAB COCCCN1C(=O)S/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C1=O 409241515 YASHHMJDWTWCIS-FYJGNVAPSA-N 424.497 4.902 0 40 HJAB C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)c1cccc(N2CCCC2=O)c1 538236969 FQVKAHGWFBRIBY-GFCCVEGCSA-N 410.823 4.977 0 40 HJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(C)Cc1cc(Br)ccc1F 1125743347 GUHJZNFUMUWLRR-LBPRGKRZSA-N 414.702 4.976 0 40 HJAB O=C(Nc1ccc(Cl)cc1Cl)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 1672370475 YCNXCXZRIYUASC-SECBINFHSA-N 405.207 4.824 0 40 HJAB COc1ccc(C(=O)Oc2ccc(Br)cc2C)cc1Br 673874 VWFUVWUSFHMUAB-UHFFFAOYSA-N 400.066 4.748 0 40 HJAB CCCC(=O)Nc1sc(C(=O)Nc2ccc(C)c(Cl)c2)c(C)c1C(=O)OC 676161 IQWSLWSXMJCVDP-UHFFFAOYSA-N 408.907 4.796 0 40 HJAB O=C(COc1ccccc1Cl)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 678390 PKAXRSSCQDEAGN-UHFFFAOYSA-N 408.910 4.803 0 40 HJAB Cc1ccc(NC(=S)N(Cc2cc3cccc(C)c3[nH]c2=O)C[C@@H]2CCCO2)cc1 1224321 ARNWOMTUIBZPNI-NRFANRHFSA-N 421.566 4.523 0 40 HJAB Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cc(Cl)nc(Cl)c1 2570651 VTHGCOLXCNALPM-UHFFFAOYSA-N 413.717 4.812 0 40 HJAB CCn1c(CSc2ncnc3sc4c(c23)CCC4)nc2cc(C(=O)O)ccc21 2659459 QOLRKEOWLFIUPL-UHFFFAOYSA-N 410.524 4.540 0 40 HJAB COCCCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccc(OC)cc2)cs1 4169375 KGEQBANYTYJYCZ-UHFFFAOYSA-N 400.475 4.641 0 40 HJAB O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc(C(=O)c2ccccc2)cc1 4348361 BJTSBXYBKOXRPX-UHFFFAOYSA-N 402.431 4.508 0 40 HJAB O=S(=O)(c1ccc2ccccc2c1)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 4853914 JWZACGBZLKRNNS-QHCPKHFHSA-N 406.482 4.574 0 40 HJAB CCN(C(=O)CSc1nnc2scc(-c3ccc(F)cc3)n12)c1ccccc1 4967172 WZPNPCJOUSNDJC-UHFFFAOYSA-N 412.515 4.742 0 40 HJAB CCCOc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2OC)cc1 4973303 GHEYWFXGJOYETA-UHFFFAOYSA-N 403.438 4.940 0 40 HJAB CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N)cc3)C[C@@]21C 5137927 MIPBCIAEOBOEKD-YEEPMTPTSA-N 401.550 4.923 0 40 HJAB in-vitro COc1ccc([C@H]2CC(c3ccccc3OC(C)=O)=NN2C(=O)c2ccccc2)cc1 5217348 CJYPYUBEIBXZBH-HSZRJFAPSA-N 414.461 4.612 0 40 HJAB Cc1nc(SCC(=O)Nc2ccnn2C2CCCC2)c2c(C)c(C)sc2n1 5428692 ZWELVVKNURQZJK-UHFFFAOYSA-N 401.561 4.659 0 40 HJAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc2cc(O)ccc12 6027234 AXAOYMPKTDGVEU-UHFFFAOYSA-N 402.475 4.834 0 40 HJAB CC(C)Cn1c(=O)c(CCC(=O)Nc2ccc3c(c2)CCC3)nc2cc(Cl)ccc21 6662173 KTQVEGOGFALNTD-UHFFFAOYSA-N 423.944 4.766 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CSCc2ccc(Cl)cc2)c1 7454329 WZWPCJPFIRKPTP-LJQANCHMSA-N 405.947 4.954 0 40 HJAB Cc1nnc2c(N3CCc4ccccc43)nc3ccc(C(=O)c4ccccc4)cc3n12 7504049 NQHPQMIKRSTPMH-UHFFFAOYSA-N 405.461 4.511 0 40 HJAB Cc1ccc(SCC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)c(C)c1 7677475 AEBCRMDWEZGIKH-UHFFFAOYSA-N 408.523 4.582 0 40 HJAB CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)Cc1ccsc1 7926935 FGERRKWNYVHKHS-LJQANCHMSA-N 413.930 4.804 0 40 HJAB CCc1ccc([C@@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccs2)cc1 8062286 NUNYGNCJIBEHGW-OAQYLSRUSA-N 411.523 4.856 0 40 HJAB Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cs2)cc1 8156115 QKHYVCVJDRWVSB-IBGZPJMESA-N 406.507 4.867 0 40 HJAB CCOc1ccc(/C=C2/SC(Nc3ccc(F)c(Cl)c3)=NC2=O)cc1OC 8324656 NUGAGHUKZXQDGJ-RQZCQDPDSA-N 406.866 4.969 0 40 HJAB O=C1CS[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)N1c1ccc(Cl)cc1 8583777 WETPEYNHAFWCBO-QHCPKHFHSA-N 420.921 4.820 0 40 HJAB O[C@@]1(C(F)(F)F)CC(C(F)(F)F)=NN1c1nc(-c2ccc(Cl)cc2)cs1 8755065 KGCKVNBIUAVPEU-GFCCVEGCSA-N 415.746 4.843 0 40 HJAB Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)Nc1ccc2c(c1)CCC2 8899907 PZVLRVYLSJFYLB-UHFFFAOYSA-N 421.547 4.622 0 40 HJAB CCOc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccc(OC)c(OC)c2)c(O)c1 9409515 JZGAYQPPJYTXMW-UHFFFAOYSA-N 420.387 4.951 0 40 HJAB biogenic C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc2cc(Cl)cnc2[nH]1 9591251 JIDMREORBJRBGS-JTQLQIEISA-N 417.947 4.533 0 40 HJAB CCc1cccc2c(C(=O)CSc3nnc([C@H]4COc5ccccc5O4)o3)c[nH]c12 9683345 MBQQHAAYVPHFTP-LJQANCHMSA-N 421.478 4.601 0 40 HJAB Cc1nc2sc(C)c(C)n2c(=O)c1NC(=O)C1c2ccccc2Oc2ccccc21 11769035 PBMCWATXUUUXMA-UHFFFAOYSA-N 417.490 4.558 0 40 HJAB Cc1cc(=O)n2c(-c3cccc(NC(=O)Nc4ccc(F)c(F)c4)c3)csc2n1 11769897 YOWNJPIPYJFVGN-UHFFFAOYSA-N 412.421 4.654 0 40 HJAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4cccs4)CC3)c3ccccc3n2)o1 12617825 WIRFCOWVDYDKOI-UHFFFAOYSA-N 417.534 4.823 0 40 HJAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 12979843 PDBGKLAUYOBFFS-LBPRGKRZSA-N 421.353 4.726 0 40 HJAB Cc1ccc(CSc2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)cc1 13010393 NOFJJOZAVACQPG-UHFFFAOYSA-N 412.536 4.696 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4ccccc4F)ccc32)cc1 13583672 RUDQVFFKNRMTFB-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB CC[C@@H](Oc1ccccc1)c1nn2c(-c3cncc(Br)c3)nnc2s1 13690948 VTYQGDCASSFKPB-CQSZACIVSA-N 416.304 4.540 0 40 HJAB Brc1ccccc1-c1nn2c(-c3ccc4ccccc4n3)nnc2s1 13728904 CDCAXPXGGIFMTP-UHFFFAOYSA-N 408.284 4.831 0 40 HJAB O=C(N[C@@H](c1ccccn1)C1CCN(Cc2cccc(F)c2)CC1)c1cccc(F)c1 19400841 MNJAPJJMZRCIER-XMMPIXPASA-N 421.491 4.743 0 40 HJAB C[C@H]1C[C@@H]1C(=O)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 19462916 JXUSBFUBPTVGAD-UWJYYQICSA-N 413.525 4.644 0 40 HJAB COc1ccccc1CN1CCC([C@H](NC(=O)c2cccs2)c2ccccn2)CC1 19570117 OZDLDOSNHMVPSK-QHCPKHFHSA-N 421.566 4.535 0 40 HJAB O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CCC2 19819184 ADGNSAYEFVGMGX-UHFFFAOYSA-N 406.873 4.972 0 40 HJAB Cc1cc(C)cc(OCc2nnc(SCc3nnc(-c4ccc(F)cc4)o3)o2)c1 19928359 XCPXZKKLPZIIBT-UHFFFAOYSA-N 412.446 4.747 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccccc2N2CCCC2)cc1 22643886 SBEHSVFBXYHNQI-UHFFFAOYSA-N 407.543 4.545 0 40 HJAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 24980584 ZJJSOJZBZNSRRB-UHFFFAOYSA-N 423.929 4.550 0 40 HJAB COc1cc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c(OC)cc1Cl 25454412 POZWMKLPKWUIES-UHFFFAOYSA-N 407.857 4.948 0 40 HJAB COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(F)c4)cc3)n2)cc1 32578635 HEHRGSXXIJDCIM-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1cccc(C(F)(F)F)c1 32802115 RFQNFHPHWKLHCH-UHFFFAOYSA-N 402.420 4.507 0 40 HJAB COc1c(Br)cc(CN[C@@H]2CCc3ccccc32)cc1Br 36325157 TXNXFVJBWQUDGF-MRXNPFEDSA-N 411.137 4.997 0 40 HJAB Cc1ccc(-n2nnc(C(=O)NCc3ccc(C(C)C)cc3)c2-c2cccnc2)cc1 38487468 PQUQDGOTJIRNQV-UHFFFAOYSA-N 411.509 4.691 0 40 HJAB CN(Cc1ccccc1NC(=O)N1CCN(c2ccccc2O)CC1)C1CCCCC1 40103373 RWUISEJLSJXDKY-UHFFFAOYSA-N 422.573 4.511 0 40 HJAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(CNC(=O)c2cccs2)cc1 40132497 HRORAQYVBKZZHQ-AWEZNQCLSA-N 414.477 4.790 0 40 HJAB Cc1nn2c(nnc3c(=O)n([C@@H]4CCCC[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40395986 KYNHBMIQHVQRSZ-SUMWQHHRSA-N 407.905 4.819 0 40 HJAB CCC1=NN(C(=O)CCCc2ccccc2)[C@](O)(c2ccc(Br)cc2)C1 59489027 WIIHKSTVNVGCBB-OAQYLSRUSA-N 415.331 4.615 0 40 HJAB CCOc1ccc(-n2nc(-c3nc(-c4cccc(C)c4)no3)c3ccccc3c2=O)cc1 64949795 MULPZUNTAPUUCM-UHFFFAOYSA-N 424.460 4.810 0 40 HJAB Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)s2)o1 69487021 LEGXYXKZDBLUJC-WMZOPIPTSA-N 400.475 4.809 0 40 HJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 95481641 XMHRMSKBWYLULD-NSHDSACASA-N 408.310 4.840 0 40 HJAB O=C(NCc1ccccn1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344050 IYWCVGHSTDUEBE-HSZRJFAPSA-N 417.553 4.583 0 40 HJAB CCN(C(=O)Nc1ccc(NC(=O)OC)cc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 107076447 SAMLGIHCWFIGND-UTKZUKDTSA-N 410.518 4.554 0 40 HJAB Cc1ccc(CN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1 149851640 LTFNXZQVLWMKPO-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB O=C(c1ccccc1C(F)(F)F)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207013992 DKIWFPOFGJVHNZ-ZDUSSCGKSA-N 421.444 4.912 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 222596991 DCELAUHTGUWTTF-URXFXBBRSA-N 408.586 4.692 0 40 HJAB Cc1ccc(CNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)CCc2ccccc2)cc1 222765396 ILIUJGNIGOXHPC-QFIPXVFZSA-N 414.549 4.661 0 40 HJAB C[C@H]1Cc2cc(Br)ccc2N1S(=O)(=O)c1cc(Cl)ccc1Cl 222990747 YFMBLAKEOUIMFN-VIFPVBQESA-N 421.143 4.896 0 40 HJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 223554182 VNXNUKWJNGKDOQ-LJQANCHMSA-N 414.977 4.649 0 40 HJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 223785124 SUJWDHYSGDQJAG-LJQANCHMSA-N 420.553 4.988 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 224777844 IUEGSNQTWJJFTM-QGZVFWFLSA-N 418.990 4.517 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 225051346 FBSIHEBYMVFUGK-ROUUACIJSA-N 400.950 4.523 0 40 HJAB CCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc2ccccc2c1 225054719 VZVPBPDATVSUPB-UHFFFAOYSA-N 417.914 4.560 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1c1ccc(OC2CCCC2)cc1 225361849 MCQHNRCVRMUYDV-FGZHOGPDSA-N 404.539 4.908 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 225542803 PKQATZMMDNTJFN-ZJSXRUAMSA-N 408.586 4.958 0 40 HJAB S=C(NC[C@@H]1CCCO1)Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1 225909270 USJWLRBSHCRSIY-SFHVURJKSA-N 422.510 4.527 0 40 HJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)n1 257222052 DRRKSHLAJOVOGW-UHFFFAOYSA-N 407.489 4.695 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3cccc(OC)c3)nc2-c2ccc(C)cc2)cc1 408699270 SNKKBOSVPYWIOY-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2cc(C)cc(C)c2)c2ccccc2)cc1 408981951 WRHNNRRTLMGREH-HSZRJFAPSA-N 422.550 4.660 0 40 HJAB CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCCCC3)cc2s1 713524 ICPLYYORFCQOSF-UHFFFAOYSA-N 411.552 4.897 0 40 HJAB COc1ccc(NC=C(C(=O)Nc2ccccc2C)C(=O)Nc2ccccc2C)cc1 728749 VBRZUTZRCVEPLJ-UHFFFAOYSA-N 415.493 4.885 0 40 HJAB Nc1c(C(=O)NCc2ccccc2)sc2nc3c(c(-c4ccco4)c12)CCCC3 729030 POTYJFCJQFUQMQ-UHFFFAOYSA-N 403.507 4.947 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2C)cc1 906753 AUQCAJBTDKKKGX-CQSZACIVSA-N 415.950 4.508 0 40 HJAB CCOc1cc(NC(=O)c2ccccc2C)c(OCC)cc1NC(=O)c1ccccn1 1341190 XZNANBWLZWTJFJ-UHFFFAOYSA-N 419.481 4.692 0 40 HJAB O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(Cl)cc1 2245046 ZGLPSPPJKNVCOQ-UHFFFAOYSA-N 423.881 4.981 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 2653689 FAALFCIDNMPXJU-UHFFFAOYSA-N 413.481 4.887 0 40 HJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1cccc(F)c1 2690535 GEZHPTDLVAYJJO-UHFFFAOYSA-N 401.437 4.819 0 40 HJAB O=C(CSc1nnc(NCc2ccccc2)s1)c1ccc(OC(F)F)cc1 3245557 CWAPXLDGZIBUHK-UHFFFAOYSA-N 407.467 4.727 0 40 HJAB CC(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1 3256875 BVSJLVYEPMEWLG-UHFFFAOYSA-N 422.598 4.908 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)Nc1ccc2c(c1)OCO2 3406609 LYQJRFJFWWUMPS-UHFFFAOYSA-N 415.474 4.756 0 40 HJAB Fc1ccc(-c2cn3nc(CNc4ccc5c(c4)OCO5)n4c3c2CCCC4)cc1 4303657 KHSZYLUFZSKUDQ-UHFFFAOYSA-N 404.445 4.619 0 40 HJAB OCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(Br)cc1 4614500 GJUSYFFFKLUGDU-JZJYNLBNSA-N 409.736 4.857 0 40 HJAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccc(C(C)C)cc1 4739343 SERLPWXMEWHVCG-UHFFFAOYSA-N 421.526 4.611 0 40 HJAB Cc1c(Cl)cccc1-n1c(SCC(=O)c2ccc[nH]2)nc2ccccc2c1=O 4978352 JMXNVMWFVPTIBL-UHFFFAOYSA-N 409.898 4.651 0 40 HJAB COc1ccc(O[C@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 5165608 XXHWHDBUOZXEDE-HNNXBMFYSA-N 409.096 4.854 0 40 HJAB COc1ccc(-c2csc(N3N=C4CC[C@H](C)C[C@H]4[C@]3(O)C(F)(F)F)n2)cc1 5275002 NXFZJPXBYCSWAD-FVMIAERFSA-N 411.449 4.682 0 40 HJAB CCCC(=O)Nc1ccc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1 6610705 UZVJQAFNVNMWRV-UHFFFAOYSA-N 416.477 4.939 0 40 HJAB O=C(c1cc2c(s1)CCCCCC2)N1CCC(C(=O)N2CCCCCC2)CC1 6987447 GBRCXUUYYHPPPY-UHFFFAOYSA-N 402.604 4.662 0 40 HJAB O=C1c2ccccc2N[C@@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1C1CC1 7088318 AIXMCOIYCCEFJM-XMMPIXPASA-N 407.477 4.663 0 40 HJAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 7881887 TYWUKLDFWVVIDQ-SNVBAGLBSA-N 413.688 4.647 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 8074053 ZDTCOYRLNAKBSP-YWZLYKJASA-N 410.539 4.885 0 40 HJAB CCC(=O)N(c1nnc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)s1)C1CC1 8074196 AJHKWUAESOLIIX-GFCCVEGCSA-N 414.556 4.597 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(C(C)C)cc1)N(CCN(C)C)C3=O 8549526 RFBHQTZSPPEGKN-HSZRJFAPSA-N 418.537 4.640 0 40 HJAB Cc1ccc(C)c(Nc2nc(-c3cc(C)n([C@@H]4CCS(=O)(=O)C4)c3C)cs2)c1 8780108 AMZKBCMLABEDTL-QGZVFWFLSA-N 415.584 4.948 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCC2)cc1 8917593 BMSVBQGDZJKKSR-HXUWFJFHSA-N 412.917 4.970 0 40 HJAB O=C1Nc2cc(Cl)ccc2Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21 8961372 JUYVWHAPUXMUGB-UHFFFAOYSA-N 418.833 4.638 0 40 HJAB CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(C[C@@H](C)c3ccccc3)s2)c1 9196859 CHDBTQLZKUVUAL-OAHLLOKOSA-N 408.527 4.731 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(Br)s1 9434077 BUUVXJPDQPLXCC-UHFFFAOYSA-N 409.286 4.615 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc4cccc(C)c4nc3Cl)C2)cc1OC 9434100 RVZDTPXDDZUURQ-LJQANCHMSA-N 423.900 4.911 0 40 HJAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1C 9614788 URFFWKMQTAZDKK-UHFFFAOYSA-N 423.325 4.528 0 40 HJAB Cc1ccccc1-c1nnc(SCc2cc3c(cc2Br)OCO3)n1C 9794639 ZQDGAQWPZGZKND-UHFFFAOYSA-N 418.316 4.574 0 40 HJAB CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)Nc2cc(C)on2)=C1C 10355545 WCHOTKCRBZTDIG-KRWDZBQOSA-N 423.300 4.679 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10358566 RLYJCEOCCHTYIF-UHFFFAOYSA-N 416.587 4.821 0 40 HJAB CCc1ccc(NC(=O)[C@H]2Sc3ccc(C)n3N[C@H]2c2ccc(OC)cc2)cc1 11117517 GPXHILFORWSJLA-VXKWHMMOSA-N 407.539 4.765 0 40 HJAB Cc1cc(=O)n2c(-c3cccc(NC(=O)CCCc4ccccc4)c3)csc2n1 11768191 HWHNYZHCPBIYFL-UHFFFAOYSA-N 403.507 4.693 0 40 HJAB CC(C)Cc1nc2oc3c(=O)n(Cc4ccccc4)cnc3c2c2c1COC(C)(C)C2 12325050 UWGAKHABNHSRLP-UHFFFAOYSA-N 417.509 4.636 0 40 HJAB CCCC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1Cc1ccccc1 12389577 ZWWQEIRWSGRYQS-UHFFFAOYSA-N 410.539 4.725 0 40 HJAB Cc1ccc(NC(=O)c2ccoc2C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 13014829 MUEYYSAOVUREHZ-UHFFFAOYSA-N 404.875 4.603 0 40 HJAB CCOCCn1/c(=N/C(=O)c2cc(Cl)ccc2Cl)sc2cc(F)ccc21 13065854 NHDMUWOWMCBVML-PYCFMQQDSA-N 413.301 4.926 0 40 HJAB O=C(CSc1nc(-c2ccccn2)n[nH]1)N1c2ccccc2Sc2ccccc21 13494708 OCCWVBAJRAQPEY-UHFFFAOYSA-N 417.519 4.788 0 40 HJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(I)cc1 13689116 JEXDCVVCUDNDSH-CYBMUJFWSA-N 417.246 4.850 0 40 HJAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1Cl)c1cccc(F)c1F 13992439 FYRKBLHORGLESZ-GOSISDBHSA-N 401.844 4.670 0 40 HJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 13999693 DUSDHQYDRQDPEX-OALUTQOASA-N 402.494 4.892 0 40 HJAB CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)c3ccc(F)c(F)c3)cc2)cc1 14674438 MDPAJDWUEQCUJS-CQSZACIVSA-N 424.399 4.985 0 40 HJAB COc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl 16101188 ANXAUTLIELXXJL-UHFFFAOYSA-N 411.104 4.565 0 40 HJAB O=C(Nc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1)c1cccc(Cl)c1 16525606 HSSJHOUNPMNBFW-UHFFFAOYSA-N 418.836 4.951 0 40 HJAB Nc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1C(=O)c1ccc(F)cc1 16778035 UODZRPNZZZKNOX-UHFFFAOYSA-N 407.832 4.957 0 40 HJAB CCc1ccccc1Nc1nc([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)c2sccn12 19523085 SWQIFVILCIOVDA-IEBWSBKVSA-N 424.570 4.587 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)s1 19564143 NTZJABXCYKHYPQ-NSHDSACASA-N 407.442 4.559 0 40 HJAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)c4sc(C)nc4C)C3)noc2n1 19568742 JHJYEFQAPAHHKO-GFCCVEGCSA-N 424.448 4.643 0 40 HJAB COc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4nc5ccccc5s4)c3C2)cc1OC 19817335 LLLNMUNPLQGMDZ-HNNXBMFYSA-N 419.506 4.720 0 40 HJAB O=c1[nH]c(Cc2ccc(Cl)cc2)nc2sc3c(c12)CCN(Cc1ccccc1)C3 19926522 IDQDWCZGHATXNO-UHFFFAOYSA-N 421.953 4.787 0 40 HJAB O=C(O)COc1cc(NC(=O)c2ccccc2Cl)ccc1-c1nc2ccccc2o1 20158309 HJURQKMIDAZIGV-UHFFFAOYSA-N 422.824 4.864 0 40 HJAB CCCCCCn1c(=N)n(C[C@H](O)COc2ccc(Cl)cc2)c2ccccc21 20327638 AJBOCJASLDCFMT-SFHVURJKSA-N 401.938 4.596 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(C)c1 20458350 NMGJHGJGKKQJLI-SFHVURJKSA-N 408.523 4.595 0 40 HJAB CCOC(=O)c1cc(NC(=O)c2ccc(CN3CCCCC3)cc2)ccc1Cl 22516945 WVPKAUQXZFJOAD-UHFFFAOYSA-N 400.906 4.755 0 40 HJAB c1ccc(Cn2c(SCc3nc(-c4ccco4)no3)nnc2-c2cccs2)cc1 24828630 RQCYTZJLZHOMAF-UHFFFAOYSA-N 421.507 4.990 0 40 HJAB O=C(c1nc(-c2ccc(F)cc2)n2c1CCCCC2)N1CCC[C@@H]1c1ccncc1 25094392 XZQGFVZAUAAGOG-HXUWFJFHSA-N 404.489 4.788 0 40 HJAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C 27936306 UILHEPQBGOOTCK-GXSJLCMTSA-N 416.241 4.512 0 40 HJAB O=C(Nc1cccc2cccnc12)c1ccn(COc2cccc(C(F)(F)F)c2)n1 27973266 CRNJZQONXUXRDT-UHFFFAOYSA-N 412.371 4.739 0 40 HJAB COc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1N1CCCC1=O 28039901 LQDGCYIQEFAUCU-UHFFFAOYSA-N 413.524 4.568 0 40 HJAB Cc1cc(C)c2c(=O)cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)oc2c1 28290129 CIPULZXAAOAAFA-IBGZPJMESA-N 424.928 4.630 0 40 HJAB O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCC[C@H]1c1nnc2ccccn12 29072113 LLCAJBMFFSGMMI-SFHVURJKSA-N 400.507 4.534 0 40 HJAB COc1cc(OC)c(OC)cc1CNC(=O)Nc1ccccc1Cc1ccccc1 40023946 YMEFDHLRSDBSIF-UHFFFAOYSA-N 406.482 4.625 0 40 HJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1 40086819 NWNMXYXGCCHSHF-QGZVFWFLSA-N 418.493 4.756 0 40 HJAB O=C(Nc1nnc(C2CC2)s1)c1ccc(COc2cccc(Br)c2)o1 40140354 NJAWCUQNVLZOQV-UHFFFAOYSA-N 420.288 4.602 0 40 HJAB O=C(NCCSCc1ccccc1F)c1ccc(CN2CCCCCC2)cc1 44909131 BSVPMWAZJNKIEC-UHFFFAOYSA-N 400.563 4.865 0 40 HJAB COc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 48545201 SNXWKVKWBRRGFU-UHFFFAOYSA-N 424.497 4.577 0 40 HJAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc5nsnc45)sc3n2)cc1 48985004 UXBBQQNIQXEGSR-UHFFFAOYSA-N 421.507 4.637 0 40 HJAB COc1ccc(-c2nc(C(=O)O[C@H](C)c3nc4ccccc4[nH]3)cs2)cc1OC 58105890 AKTJSNZBSZCJAM-GFCCVEGCSA-N 409.467 4.622 0 40 HJAB CC(C)C(=O)Nc1ccc(NC(=O)N[C@@H](C)c2cccc(Br)c2)cc1 58407185 UNYUOXSTFIZANG-ZDUSSCGKSA-N 404.308 4.926 0 40 HJAB Cc1ccc2nc(CN(C3CC3)[C@@H](C)c3cccc(C(F)(F)F)c3)cc(=O)n2c1 59578028 NRSPPOUBAVUGLZ-HNNXBMFYSA-N 401.432 4.747 0 40 HJAB CCc1ccc(-c2noc(-c3nn(-c4cccc(OC)c4)c(=O)c4ccccc34)n2)cc1 64949731 KIFKLCGBURBKIO-UHFFFAOYSA-N 424.460 4.674 0 40 HJAB O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(Cl)c1 67292955 KSSTWCZKZJJLRA-PVCXERSVSA-N 417.292 4.881 0 40 HJAB COC(=O)C[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1oc(C)cc(=O)c1O 95476820 PUQRAJHNHICGRC-HNNXBMFYSA-N 416.514 4.649 0 40 HJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2cccs2)no1 219344386 BHLOHKUXAZKBBI-KRWDZBQOSA-N 407.495 4.767 0 40 HJAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCCC(C)C 223270145 YEUMRBQVEQVAJH-DEOSSOPVSA-N 424.585 4.598 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 223284622 XNKSABCKFOUVMC-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3cc(C)ccc3C)c2)cc1 223958006 AFGVKROJCYLAFT-IBGZPJMESA-N 422.550 4.904 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C 224144214 PAXXHVYUAQZTCI-QHCPKHFHSA-N 422.569 4.548 0 40 HJAB COc1ccccc1CNC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 224150869 OQBLWYVRYGUYJI-UHFFFAOYSA-N 411.885 4.866 0 40 HJAB CCc1ccc(NC(=O)c2ccc(N(CC)S(=O)(=O)c3ccccc3)cc2)cc1 224355811 RSNWXSHMABJPHK-UHFFFAOYSA-N 408.523 4.717 0 40 HJAB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)CC(C)(C)c1ccccc1)CCCC2 224554206 AVFJLQXZKCKQDU-KRWDZBQOSA-N 401.572 4.609 0 40 HJAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 224621082 DWDJREMLMBORBV-FGZHOGPDSA-N 404.539 4.881 0 40 HJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 225068870 CDLFRLCKMCVAQQ-NRFANRHFSA-N 416.565 4.758 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)c1 225613370 VXCAZWIFAWMWRW-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225698842 ZQHJEXYUMFNLBZ-INIZCTEOSA-N 421.368 4.520 0 40 HJAB COc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c(OC)c1 408631624 ACVGWNGUDNUIMY-SXGWCWSVSA-N 418.858 4.625 0 40 HJAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)cc1 408649000 WYXYTPKNTVDKDD-HXUWFJFHSA-N 400.478 4.775 0 40 HJAB CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)n2)cc1 408695461 QNSXGCMLFBSSBD-UHFFFAOYSA-N 420.419 4.864 0 40 HJAB COc1ccc(CCCC(=O)Nc2ccc(I)cc2C)cc1C 408912107 LSKFBBWVERJMNL-UHFFFAOYSA-N 423.294 4.878 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1 409327533 KPXFQIOFTRSDQT-UHFFFAOYSA-N 403.891 4.595 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(OC)cc3)[C@](O)(C(F)(F)F)[C@H]2C1 409341147 CZPGZAIVUHTCOX-PTSWNOGYSA-N 412.452 4.610 0 40 HJAB Cc1ccccc1C1=CCN(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)C1 542953704 VHKNBPYSPOOEBL-UHFFFAOYSA-N 413.477 4.817 0 40 HJAB Cc1ccnc(SCC(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C[C@H]4C)n1 575473164 KHIOMYOTBCEAQN-CYBMUJFWSA-N 423.538 4.588 0 40 HJAB Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4ccc(C(C)C)cc4)C[C@H]23)no1 585109703 JFCKETDWERGZNQ-SONWIMMPSA-N 415.537 4.807 0 40 HJAB Cc1cc2c(cc1C)O[C@@H](c1nc(-c3ccccc3NC(=O)c3ccccn3)no1)C2 680738263 FTKRUODTGHIEQZ-OAQYLSRUSA-N 412.449 4.677 0 40 HJAB O=C(O)COc1ccccc1CN1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 1848353346 WRRTYDNZTKELCE-OAQYLSRUSA-N 424.472 4.595 0 40 HJAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccc4c(c3)OCO4)ccc12 661478 ISSSYCYKSMWTDR-UHFFFAOYSA-N 407.426 4.666 0 40 HJAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cc(C)ccc3OC)c2c1 951977 DHPXZGBISPJLSI-UHFFFAOYSA-N 408.454 4.649 0 40 HJAB O=C(CSc1nc(-c2ccccc2Cl)ns1)NCc1ccccc1Cl 3007343 BCTKEKFODYSAGJ-UHFFFAOYSA-N 410.351 4.920 0 40 HJAB COc1ccc(OCc2nnc(SC[C@H]3CCCCO3)n2-c2ccccc2)cc1 3418131 RRERBOBJERIWTC-HXUWFJFHSA-N 411.527 4.516 0 40 HJAB CC[C@H](C)NC(=O)CCSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 3645255 WPWFKSSCHZCDDD-LBPRGKRZSA-N 413.465 4.568 0 40 HJAB C[C@@H](NC(=O)CSC1=N[C@H](C(F)(F)F)C[C@H](c2ccccc2)N1)c1ccccc1 4178739 KLTKPYODGQZHHJ-OLMNPRSZSA-N 421.488 4.619 0 40 HJAB CCc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccnc1 4240545 SZCFAFFGXHFEBH-QHCPKHFHSA-N 417.509 4.684 0 40 HJAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)c(C)c1 4672244 CDXRNRLTWWNMFS-VWLOTQADSA-N 419.908 4.964 0 40 HJAB C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)Nc2ccc(OCCc3ccccc3)cc2)[C@@H]1C 4672831 FJGYJYVPOMIGPN-YOSAUDMPSA-N 422.569 4.968 0 40 HJAB C[C@]1(N2CCCCC2)[C@@H](O)c2cc(Br)ccc2O[C@H]1c1ccccc1 5534930 PDCAUFHRAKNQNX-ACRUOGEOSA-N 402.332 4.861 0 40 HJAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccccc2Cc2ccccc2)C(C)C)cc1 6779411 MPXWPLQUAKBCCR-DEOSSOPVSA-N 400.522 4.979 0 40 HJAB O=C(NC1CC1)[C@H](Sc1nc2c(n1-c1ccccc1)CCCC2)c1ccccc1 6931907 WUYHHXHKBSVRIV-JOCHJYFZSA-N 403.551 4.863 0 40 HJAB CCOc1cc(C[C@H]2SC(=O)N(CC)C2=O)ccc1OCc1ccc(Cl)cc1 6952916 YYCWPEJMQDVCIS-LJQANCHMSA-N 419.930 4.944 0 40 HJAB C[C@H]1CCc2sc(C(=O)OCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)cc2C1 7159214 FAWIMDHDEMLNIN-CPJHTQCFSA-N 415.599 4.751 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(N2CCCCCC2)cc1 7239260 TUSZDSVKJYLPHE-UHFFFAOYSA-N 408.527 4.848 0 40 HJAB CCCCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 7872236 MAMKRFMBBYBSCX-UHFFFAOYSA-N 414.571 4.765 0 40 HJAB O=C(NCc1ccccc1CN1CCCCC1)c1cc(F)ccc1Br 7941439 ZLXDKVAEXTWCJU-UHFFFAOYSA-N 405.311 4.504 0 40 HJAB CCC[C@@H](NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCC)c1ccccc1 8538829 XRUFJVAFLNFAHH-YLJYHZDGSA-N 423.582 4.945 0 40 HJAB Cc1cc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(C)n1C1CC1 9451385 ZUOXCBLTVMENKJ-ICKBMGCOSA-N 406.526 4.978 0 40 HJAB O=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccccc1 9492947 XATWIEFNEZGCBH-UHFFFAOYSA-N 420.412 4.759 0 40 HJAB O=c1c2cc(Br)ccc2ncn1CCOc1ccc(Cl)cc1Cl 9683427 CFQOPDUDVKAMDR-UHFFFAOYSA-N 414.086 4.545 0 40 HJAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3Cc3ccccc3)sc2c1 9684248 VFKHQYWYTRBDNQ-UHFFFAOYSA-N 422.531 4.543 0 40 HJAB CN1C(=O)[C@]2(OCc3ccccc3N2C(=O)Nc2cccc(Cl)c2)c2ccccc21 10157786 PTDIFOXWQIQTDH-HSZRJFAPSA-N 419.868 4.738 0 40 HJAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc2ccccc2c1)S(C)(=O)=O 10335314 DPJCEYJCRGLTBV-HNNXBMFYSA-N 416.930 4.595 0 40 HJAB Cc1ncccc1C(=O)N1CCC[C@@H]1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1 12230360 DRLHORODRMABNG-QGZVFWFLSA-N 417.435 4.552 0 40 HJAB Cc1noc(C)c1CSc1ccccc1C(=O)NCCn1c(C)nc2ccccc21 12537160 XKDYBPFDVMNHCP-UHFFFAOYSA-N 420.538 4.672 0 40 HJAB CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3C[C@@H](C)C[C@@H](C)C3)c2c1 12719951 FASFXZWYPVOGDV-HDICACEKSA-N 424.566 4.949 0 40 HJAB CCCCC1CCC(C(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 12819006 QTJQDSPFFKOPFL-UHFFFAOYSA-N 411.546 4.967 0 40 HJAB COc1ccc(CCC2CCN([C@H](C)C(=O)Nc3c(F)cccc3F)CC2)cc1 12926852 GGMXKENELVRDJB-MRXNPFEDSA-N 402.485 4.645 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1c1ccccn1 13228280 BSGSLIOIYUMAHO-IBGZPJMESA-N 406.800 4.730 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1OCc1ccc(F)cc1 14240709 ZIQYKIHQYVPERG-UHFFFAOYSA-N 420.484 4.732 0 40 HJAB CC(=O)c1ccc(NC(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)cc1 15729630 LKOOZDOYIVUMBV-UHFFFAOYSA-N 402.454 4.656 0 40 HJAB Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSC2=NCCS2)cc1 17041206 XOWVUMLDUYHAJN-MRXNPFEDSA-N 401.582 4.570 0 40 HJAB Cc1ccc(-n2nc3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3n2)cc1 17091367 LBYYHQIFBQTTLU-UHFFFAOYSA-N 418.325 4.677 0 40 HJAB CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(Cc3ccc(Cl)cc3)c12 17299953 FTCCMQPQCBRBKF-ODLFYWEKSA-N 409.942 4.593 0 40 HJAB Cc1ccc(CC(=O)N2CCC(c3nnc(-c4nccc5ccccc45)o3)CC2)cc1 19209385 FSWLNMYOTUFKTL-UHFFFAOYSA-N 412.493 4.542 0 40 HJAB COCCn1cc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)c2ccccc21 19594208 FTIXTBGRYKZCLJ-UHFFFAOYSA-N 420.488 4.717 0 40 HJAB CCOc1cccc(-c2cc(C(=O)O)c3c(-c4ccc(CC)cc4)[nH]nc3n2)c1O 20492327 URFWYUBRJLDDGN-UHFFFAOYSA-N 403.438 4.657 0 40 HJAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(CCc1ccc(OC)c(OC)c1)C3 20610163 KELXADFYBIKERR-UHFFFAOYSA-N 423.509 4.547 0 40 HJAB biogenic Cc1ccc(OCC(=O)Nc2cc(C)c(I)c(C)c2)c(C)c1 21595210 PJAJEOKTHUEJBK-UHFFFAOYSA-N 409.267 4.542 0 40 HJAB Cc1cccn2cc(COc3ccc(C(=O)Nc4nnc(CC(C)C)s4)cc3)nc12 21747385 KXSRSWGKQTTYGW-UHFFFAOYSA-N 421.526 4.524 0 40 HJAB C[C@H]1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc2S1 22989885 USGOELSQWZAEQK-ZDUSSCGKSA-N 405.445 4.973 0 40 HJAB CCOc1ccccc1C(=O)NCCCC(=O)N[C@H](C)c1cccc2ccccc12 27124786 YLGZOGOTPHSSJS-GOSISDBHSA-N 404.510 4.626 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)c(C)c1 28206839 WTDRPTATKJLIFF-GOSISDBHSA-N 420.534 4.696 0 40 HJAB O=C(/C=C/c1ccccc1OC(F)F)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 36652300 XZLNDNKLTDYWAK-CKDFRHGISA-N 415.436 4.826 0 40 HJAB C[C@H](c1nnc(SCc2noc(C(C)(C)C)n2)n1-c1ccc(Cl)cc1)N(C)C 36735338 HVLVPGKXHXERST-GFCCVEGCSA-N 420.970 4.516 0 40 HJAB O=C(Nc1ccccc1Br)C1CCN(Cc2ccccc2Cl)CC1 39744057 ZFDLEYFHXXUIGG-UHFFFAOYSA-N 407.739 4.953 0 40 HJAB O=C(NCc1ncc(-c2ccccc2)o1)c1ccc(NC(=O)c2cccs2)cc1 40088194 BINLKOLFFRWLDF-UHFFFAOYSA-N 403.463 4.585 0 40 HJAB CN1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 43732597 JRKXZSDHWWDBMI-QNIAMRLHSA-N 416.908 4.716 0 40 HJAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1 44948053 HMJPOAGPABFIAS-UHFFFAOYSA-N 413.520 4.566 0 40 HJAB Cc1ccc2c(c1)[C@]1(Nc3ccccc3C(=O)N1c1ccc(C)c(Cl)c1)C(=O)N2 49947072 AIIGVNHLBRRIGI-HSZRJFAPSA-N 403.869 4.834 0 40 HJAB Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)C[C@H]2C)c1 59415268 SAOYGWVUOAMNQH-XOEFNYDHSA-N 422.613 4.820 0 40 HJAB biogenic O=C(c1ccccc1Br)N1CCC(Cn2ccnc2-c2ccccc2)CC1 62129256 OLWGIPDDQAEOQJ-UHFFFAOYSA-N 424.342 4.865 0 40 HJAB Cc1noc(C)c1NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 63447489 PWXUEJWENMYNSI-JLHYYAGUSA-N 402.429 4.935 0 40 HJAB Cc1cc2nc(SCC(=O)Nc3cccc(C(C)C)c3)n(CC(C)C)c(=O)c2[nH]1 67237846 YUJLHIQSZOJXMV-UHFFFAOYSA-N 412.559 4.543 0 40 HJAB COc1ccccc1Cn1c(SCCc2ccccc2)nc2ccccc2c1=O 67258412 ABORMHXTGRTKSL-UHFFFAOYSA-N 402.519 4.788 0 40 HJAB O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1ccc(F)cc1Cl 67293315 UTQZCORVTKVNIY-DAFNUICNSA-N 409.804 4.811 0 40 HJAB Cc1c(C(=O)N(C)[C@@H](C)c2cccc(-c3ccncc3)c2)nnn1-c1ccc(F)cc1 72295521 BOGCHJBVQMBXDK-INIZCTEOSA-N 415.472 4.610 0 40 HJAB COc1ccc(OC)c([C@H](C)Nc2ncc(-c3cc(C)no3)c(-c3ccco3)n2)c1 72338431 NOXSAPWKTXFEGW-AWEZNQCLSA-N 406.442 4.890 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@@H](c3nccnc3-c3ccccc3F)C2)cc1 72358794 IXQMIPZWBORFSY-LJQANCHMSA-N 419.500 4.630 0 40 HJAB C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@H]1CCn2c(cnc2-c2ccccc2)C1 95993255 MPJGXYSYXJGQDJ-WBVHZDCISA-N 407.464 4.537 0 40 HJAB CCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(F)c3)no2)cc1 98211382 UXVHIGZZKMMATD-UHFFFAOYSA-N 420.444 4.554 0 40 HJAB COc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1 100425550 ZLJLBEVCSPUQSM-IRXDYDNUSA-N 401.601 4.629 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)Cc3ccccc3C)CC2)on1 100743661 ABAHGSRBMCDBHS-BGYRXZFFSA-N 418.541 4.690 0 40 HJAB C[C@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 104749559 GBFFUCHKVKZINZ-AYMQEEERSA-N 406.983 4.557 0 40 HJAB Cc1c(Cl)cccc1N(CCCC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O 113964756 IAUQPIBCTMBRHL-UHFFFAOYSA-N 422.978 4.957 0 40 HJAB CCSc1ccccc1NC(=O)[C@@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 216295841 JIWZQWDZQOINMZ-LJQANCHMSA-N 420.600 4.599 0 40 HJAB CCOc1ccccc1NC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 220711189 WHBICVARWWQIRP-MRXNPFEDSA-N 424.476 4.761 0 40 HJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 222942838 ZTAQMABPWFAIRZ-QHCPKHFHSA-N 409.574 4.532 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 223780949 CFKUJABOQVXUAT-QGZVFWFLSA-N 418.990 4.766 0 40 HJAB Cc1ccc(C(=O)NCC2=CCCCC2)cc1S(=O)(=O)Nc1cccc(C)c1C 223945323 MLVGZBKCCVBPJF-UHFFFAOYSA-N 412.555 4.643 0 40 HJAB C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCSc1ccccc1 224079159 VUUFQAQIUOFYNZ-HXUWFJFHSA-N 424.610 4.687 0 40 HJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC 224286029 SJXYKKHEUCAIQB-OAQYLSRUSA-N 400.950 4.606 0 40 HJAB CCOc1cccc(NC(=O)c2ccc(N(CC)S(=O)(=O)c3ccccc3)cc2)c1 224362515 QIKIFFLARFAJKG-UHFFFAOYSA-N 424.522 4.553 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 224534437 HYBOSVUMGPCFAE-UHFFFAOYSA-N 412.536 4.527 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 224669032 KKQALIAOEVYBLT-LJQANCHMSA-N 412.549 4.824 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)c1 224731979 UETLZEJUDCSSPQ-IBGZPJMESA-N 410.533 4.543 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)N1CCCCCC1 408583259 GQGWCSBXXLUQGL-UHFFFAOYSA-N 407.923 4.549 0 40 HJAB CCOC(=O)c1c(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)sc(C)c1C 408816879 KGLNRAKLJIIGBD-DHDCSXOGSA-N 418.540 4.615 0 40 HJAB CC(C)c1ccc(OCc2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)o2)cc1 876005 WAQCBRKEWHDOIU-IYBDPMFKSA-N 403.548 4.654 0 40 HJAB CN(C)C(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@H](C(C)(C)C)C2 920970 BEIFZBWVKFVYKT-ZDUSSCGKSA-N 402.535 4.992 0 40 HJAB COc1ccc2cc(CN(Cc3ccco3)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1 1327525 DNXONGUJJPWYLW-UHFFFAOYSA-N 421.428 4.503 0 40 HJAB COc1ccc(C2=C(Cl)C(=O)N(c3ccccc3C)C(=O)C2(Cl)Cl)cc1 1584228 CUZAPAWSOXTHLH-UHFFFAOYSA-N 410.684 4.701 0 40 HJAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cccc(Br)c3)NC(=O)CCN21 2127759 PTPVBKZWRVAAOO-CRWWQRIJSA-N 411.343 4.785 0 40 HJAB biogenic O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1Cc1ccccc1 2697244 ZXGXYSXCGNSPCB-XMMPIXPASA-N 412.518 4.709 0 40 HJAB O=C1OCC[C@H]1Sc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1 3444548 HTBGFHKVBSEUFQ-QGZVFWFLSA-N 420.515 4.522 0 40 HJAB O=C1CN=C(c2ccccc2)c2ccccc2N1Cc1cccc(Br)c1 4110022 QHDOUMOWPSWOQP-UHFFFAOYSA-N 405.295 4.833 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 5309449 VYNJZXBJARKPQY-UHFFFAOYSA-N 408.861 4.627 0 40 HJAB CCOc1cc(Br)c(CSc2nnc(C3CC3)n2C)cc1OCC 5314172 DXKGCRLTTWVKGZ-UHFFFAOYSA-N 412.353 4.545 0 40 HJAB Cc1cc2oc(=O)c(CC(=O)NCc3cccnc3)c(C)c2c2occ(C(C)(C)C)c12 5346163 HHRRUGIUYMPVDL-UHFFFAOYSA-N 418.493 4.707 0 40 HJAB CCCCCCC(=O)C[C@@H](SC[C@H](NC(C)=O)C(=O)O)c1ccccc1Cl 5618938 QSKPZKQBDISPJO-RBUKOAKNSA-N 413.967 4.633 0 40 HJAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccc(F)cc1 6531564 AEALLGITRARUCU-UHFFFAOYSA-N 404.470 4.503 0 40 HJAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)CCc2ccccc2)c(OC)c1 6642141 LXBRFSSHLGAUPU-RZFJZAQRSA-N 423.553 4.531 0 40 HJAB biogenic O=C(Nc1ccccc1Cc1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1 7344635 OOPWDCUTTBCJHG-UHFFFAOYSA-N 401.434 4.526 0 40 HJAB Cc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 7406920 PMXLYPSVCTYWQM-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB CCCNC(=O)c1ccccc1NC(=O)c1ccccc1OCCOc1ccccc1 8158266 OWZHGPIFHPOCAT-UHFFFAOYSA-N 418.493 4.537 0 40 HJAB COCCn1c(SCc2nc3ccccc3o2)nnc1-c1ccc(Cl)cc1 8270033 ZDFDVCTXUIVYNS-UHFFFAOYSA-N 400.891 4.678 0 40 HJAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cc(OC)c(OC)cc2C)CC1=O 8327690 OZRWBNVNWMGDDY-NVXWUHKLSA-N 410.514 4.517 0 40 HJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(Br)cc2)c1 8587451 PVQYWARBHVSASH-ZDUSSCGKSA-N 416.275 4.522 0 40 HJAB CCCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 9139029 SAWSIMOHVHOLNT-UHFFFAOYSA-N 414.962 4.725 0 40 HJAB Cc1ccc(NC(=O)[C@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 9466005 FDJNJIQCWHCLAA-RUZDIDTESA-N 413.521 4.591 0 40 HJAB COc1cc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c(OC)cc1Cl 11621070 KUMBKKXULRHFRL-UHFFFAOYSA-N 424.328 4.661 0 40 HJAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)Cc2ccc(F)cc2Cl)C1 12238583 JGPZTXAJWXEOQA-LJQANCHMSA-N 424.907 4.704 0 40 HJAB CN(C)[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1ccco1 12784422 WLPNHMPFUSCNPG-JOCHJYFZSA-N 403.457 4.667 0 40 HJAB O=C(COC(=O)c1cncc(Br)c1)c1ccc(C2CCCCC2)cc1 12806255 LPYRTUGBUYYHDW-UHFFFAOYSA-N 402.288 4.932 0 40 HJAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccccc1CN(C)C1CCCCC1 12823531 JPSDOKNIBDSYEM-UHFFFAOYSA-N 403.530 4.593 0 40 HJAB COC(=O)c1cc2c3cc(Br)c(Br)cc3n(C)c2s1 13114529 PIYXZEMEUVTFEU-UHFFFAOYSA-N 403.095 4.705 0 40 HJAB Cc1ccc([C@@](O)(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C(F)(F)F)o1 14241790 HASAMKIVRDSMMV-HWPZZCPQSA-N 410.219 4.912 0 40 HJAB COc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1 16954060 XEKPBHOZJFPQQY-UHFFFAOYSA-N 424.913 4.789 0 40 HJAB Cc1cc(N2CCCC2)ccc1NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 19194192 CECQOERSBVRNEQ-UHFFFAOYSA-N 410.518 4.855 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccccn2)C1 19449574 SWKAUBCPIPOALM-HHHXNRCGSA-N 413.565 4.708 0 40 HJAB CCCNC(=O)c1cc([C@@H]2CCCN(CC(c3ccccc3)c3ccccc3)C2)no1 19503654 SJWYBEKPOTVQCV-JOCHJYFZSA-N 417.553 4.826 0 40 HJAB COc1ccccc1Nc1nnc(SCC(=O)Nc2cccc3ncccc23)s1 21399661 DKMXTFKTJKVHAH-UHFFFAOYSA-N 423.523 4.569 0 40 HJAB Oc1c([C@@H](c2cccc(F)c2)N2CCC(Cc3ccccc3)CC2)sc2ncnn12 22609548 KSDZZAVUIVEKKF-HXUWFJFHSA-N 422.529 4.680 0 40 HJAB CC(C)Cc1noc(CSc2nc3ccccc3c(=O)n2[C@H](C)c2ccccc2)n1 23043507 WEMPLEXXOPQEJP-MRXNPFEDSA-N 420.538 4.880 0 40 HJAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 25060147 ZYAHZXZHIMGZQJ-MRXNPFEDSA-N 409.917 4.635 0 40 HJAB CC(C)Oc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 27580495 HSIGVGHXCYYVDX-ZDUSSCGKSA-N 401.850 4.583 0 40 HJAB CCSc1ncc(Br)c(C(=O)Nc2cc(Cl)ccc2Cl)n1 27743159 GJSSDPGRDFDJCR-UHFFFAOYSA-N 407.120 4.910 0 40 HJAB O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1ccccc1Br 27989265 RHHXOBNQFFMPPA-KRWDZBQOSA-N 407.377 4.858 0 40 HJAB CSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)n1 28287661 NUPKPSKTMSYPCY-SFHVURJKSA-N 418.994 4.507 0 40 HJAB Cc1c([C@@H](C)NC(=O)c2ccc3[nH]cnc3c2)cnn1-c1cccc(C(F)(F)F)c1 30649221 SHGUMZSLKCPMHV-GFCCVEGCSA-N 413.403 4.567 0 40 HJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 30871687 OUXSBTVCYLQTJB-INIZCTEOSA-N 401.528 4.826 0 40 HJAB COc1ccc(OC)c(S(=O)(=O)Oc2cc3sc(C)nc3c3sccc23)c1 33047605 XIECQTZKKGVSOF-UHFFFAOYSA-N 421.521 4.604 0 40 HJAB Cc1cccc(C)c1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C 33271977 MRNNKFQFXNWXJR-UHFFFAOYSA-N 406.507 4.670 0 40 HJAB Cc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccccc3F)n2)c1 33327352 OFPPOISNKNPBRM-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)C1c2ccccc2Oc2ccccc21 38709354 IMGUCTUXPLGRDM-UHFFFAOYSA-N 410.473 4.862 0 40 HJAB O=C(Nc1ccc(SC2CCCC2)cc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 40133204 VARKGLLYELYFLW-KRWDZBQOSA-N 401.576 4.588 0 40 HJAB COc1ccc(C(=O)Nc2c(C)cc3nc(N)sc3c2C)cc1Br 45889563 XQPIARRUZPJEDN-UHFFFAOYSA-N 406.305 4.519 0 40 HJAB Cc1ccccc1N(C(=O)C1CCN(C(=O)C2CC2)CC1)c1nc2ccccc2s1 49983743 YHQIOHJFZYMIRI-UHFFFAOYSA-N 419.550 4.918 0 40 HJAB Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)N1CCN(c2ccc(F)cc2)CC1 54105764 DWLQQSQXUARJQP-VWLOTQADSA-N 400.501 4.922 0 40 HJAB Cc1cc(C)c(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)c(C)c1 71327975 HCGPPBRDLLLTLK-UHFFFAOYSA-N 403.526 4.542 0 40 HJAB Cc1nn(Cc2ccccc2)c(Cl)c1CN(C)C[C@@H]1CCN(Cc2ccccc2)C1 72305300 UTNYFCMHJPYVOA-QHCPKHFHSA-N 423.004 4.847 0 40 HJAB CCn1ccnc1CN1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359823 YQXZTADTPFTNIY-QGZVFWFLSA-N 415.463 4.758 0 40 HJAB Nc1ncc(-c2ccccc2F)c([C@H]2CCCCN2C(=O)CCc2ccccc2)n1 72376903 OVUUGLIKBROMGI-OAQYLSRUSA-N 404.489 4.551 0 40 HJAB CCCc1ncc(-c2ccncc2C)c([C@H]2CCCN2C(=O)c2cc(CCC)on2)n1 72390637 SAPJAIBXBIOZRU-OAQYLSRUSA-N 419.529 4.717 0 40 HJAB O=C1[C@@H]2C[C@@H](CN2Cc2ccc(Cl)cc2)Oc2ccccc2N1Cc1ccccc1 96111776 RJNBALUTLTZDMU-GMAHTHKFSA-N 418.924 4.909 0 40 HJAB biogenic,in-vitro COC(=O)c1ccc([C@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc1 102739489 NACDCRJZUCNYNT-SCLBCKFNSA-N 422.466 4.547 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C 222863089 QUZXKZZLRBQARP-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 223314629 GTLIREUXXWWJQY-HXUWFJFHSA-N 421.368 4.706 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1Cc1ccccc1 223378462 HKGGTLQMRHQATQ-DHIUTWEWSA-N 414.534 4.697 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC[C@H](C)c3ccccc3)ccc2C)cc1 224085176 DFOBTYZKWQZYOW-IBGZPJMESA-N 422.550 4.638 0 40 HJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1CN1CCCC1 224787994 ZHIPGMLVRMBXQV-XMMPIXPASA-N 402.538 4.909 0 40 HJAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)NC(c1ccccc1)c1ccccc1 225737110 SCJDYTHHJDIESF-UHFFFAOYSA-N 402.881 4.561 0 40 HJAB C[C@@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NC2CCCCCC2)n1 226011129 KIPCHBVLFXQAAA-CYBMUJFWSA-N 415.529 4.883 0 40 HJAB O=C(COc1cccc(F)c1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257221062 DNIRKBHIENMYQI-NRFANRHFSA-N 412.436 4.676 0 40 HJAB Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)s1 257271307 MXTFALMSBRDDJM-SFHVURJKSA-N 415.946 4.898 0 40 HJAB Cc1cccc(N2C[C@@H](C(=O)NCCC(c3ccccc3)c3ccccc3)CC2=O)c1 408707378 JRGMSMOBOGINQW-QHCPKHFHSA-N 412.533 4.686 0 40 HJAB CC(=O)N1CC2=C(C1=O)[C@@H](c1ccsc1)c1cn(CCC(C)C)c3cccc(c13)N2 524734642 XUKGJMFNLGPZPU-NRFANRHFSA-N 419.550 4.949 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2cccc(Cl)c2)sc2c1CC[C@H](C)C2 643683 PLCZWDSQLGYQEV-LBPRGKRZSA-N 407.919 4.721 0 40 HJAB CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)cc1 990077 ZDXJYGGAGHWCTP-HHHXNRCGSA-N 413.517 4.860 0 40 HJAB CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)ccc12 2092224 LSRHBMLQLKYXQY-QGZVFWFLSA-N 417.502 4.653 0 40 HJAB biogenic O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccc3c(c2)OCO3)s1 2228084 LGWCOHYPQGHPNV-UHFFFAOYSA-N 409.254 4.885 0 40 HJAB CC(C)CCn1c(N)c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc21 2249212 GVWVMDYYSKYYNV-UHFFFAOYSA-N 421.932 4.796 0 40 HJAB COc1ccc(C(=O)CSc2nnc(Nc3cccc(C)c3C)s2)c(OC)c1 2621462 MTGAGFHLKRACEC-UHFFFAOYSA-N 415.540 4.891 0 40 HJAB O=C(COC(=O)CCc1c[nH]c2ccccc12)NC(c1ccccc1)c1ccccc1 2643389 FCDVEIYVCLTVAM-UHFFFAOYSA-N 412.489 4.550 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1C 3219484 LFNFBDUPLTUIHK-UHFFFAOYSA-N 421.880 4.983 0 40 HJAB C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N[C@@H]1CCCc2ccccc21 3457687 PJRIJCMZGCGMOG-KBXCAEBGSA-N 410.568 4.956 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C(=O)O)c(C(=O)O)c3)cc2)cc1C 4649248 FHIYBDUACNKHBF-UHFFFAOYSA-N 405.406 4.744 0 40 HJAB COc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3cnccn23)cc1 4733447 QNZKKLPYKIHCBO-UHFFFAOYSA-N 411.259 4.617 0 40 HJAB O=C(c1ccc(Br)cc1)[C@@]1(O)ON=C(c2ccccc2)[C@@H]1c1ccccc1 4804563 ZHTYCLITRCOSAX-UGKGYDQZSA-N 422.278 4.539 0 40 HJAB CSCC[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccccc1 4812763 KLXSKEYXOCVRNC-IBGZPJMESA-N 405.523 4.902 0 40 HJAB COc1ccc([C@H]2CC(c3ccccc3OC(=O)c3ccccc3)=NN2C(C)=O)cc1 5164761 LGTZARJXHZLZRV-HSZRJFAPSA-N 414.461 4.612 0 40 HJAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccncc1)c1c(c3ccccc3oc1=O)N2 5570547 BQRYWPXNCLNDDC-NRFANRHFSA-N 406.445 4.919 0 40 HJAB CCCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)C(C(=O)OC)=C1C 6428068 LJZXDQWMMCNAHW-PGMHBOJBSA-N 405.494 4.738 0 40 HJAB O=C(COC(=O)C1C2CC3CC(C2)CC1C3)c1ccc(NC(=O)c2ccccc2)cc1 6604812 GEBVOPXKWDXWKS-UHFFFAOYSA-N 417.505 4.737 0 40 HJAB Cc1cccc(-c2noc(CN(C(=O)COc3cc(C)cc(C)c3C)C(C)C)n2)c1 6736999 RQHXAIADZRKBIC-UHFFFAOYSA-N 407.514 4.786 0 40 HJAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 7071489 BVKZXXWWEOOKRB-VVBXCHJUSA-N 400.862 4.623 0 40 HJAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccco2)c(C)c1 7779061 WRIIEUXINJZVOL-UHFFFAOYSA-N 404.495 4.940 0 40 HJAB OCCn1c(CSc2nnc(Nc3ccccc3)s2)nc2ccc(Cl)cc21 9595018 RVEXOWVBVJQYFX-UHFFFAOYSA-N 417.947 4.569 0 40 HJAB O=C(CCc1nc(-c2ccccc2)no1)N1CCc2sccc2[C@@H]1c1cccs1 9596745 QLMIFLOAOUQSPV-OAQYLSRUSA-N 421.547 4.967 0 40 HJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCCC2)cc1Cl 10119180 WJCFXMFIIIMEIO-UHFFFAOYSA-N 410.901 4.900 0 40 HJAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)c1 10325193 GRAAFJPMPICMRM-GOSISDBHSA-N 420.534 4.696 0 40 HJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 12535096 ZZHDATUVGQYHAD-UHFFFAOYSA-N 417.415 4.915 0 40 HJAB COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1OC 12770260 LNMHWLKKVSOZSV-UHFFFAOYSA-N 407.401 4.607 0 40 HJAB Cc1cccc2sc(NC(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)nc12 12896458 MUQWHHINEHWKOE-HXUWFJFHSA-N 401.491 4.715 0 40 HJAB Brc1ccc(-c2nnc(CSc3nnc(C4CC4)n3C3CC3)o2)cc1 13117551 JHBMMPCZPLTKBC-UHFFFAOYSA-N 418.320 4.595 0 40 HJAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c(C)c1 13583477 USLUJDMCBFQMLG-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB CCCCc1ccc(NC(=O)[C@@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 13716657 NUDWVYICVOEMOF-JOCHJYFZSA-N 416.587 4.829 0 40 HJAB CN(C)c1ccc(-c2nnc3sc(COc4ccc(Cl)cc4Cl)nn23)cc1 13956986 GICWNOJVXAOIGS-UHFFFAOYSA-N 420.325 4.805 0 40 HJAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)cc1 14185221 YJPOYNVSIABHME-UHFFFAOYSA-N 403.482 4.953 0 40 HJAB COc1ccc(C)cc1[C@H](C)NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl 14701585 OGHVIVBCFHRALO-ZDUSSCGKSA-N 401.869 4.781 0 40 HJAB CCOc1ccc2[nH]c(S[C@H](C(=O)Nc3cc(C)on3)c3ccccc3)nc2c1 16744705 JWAXJFQGYLNFAV-IBGZPJMESA-N 408.483 4.730 0 40 HJAB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)c1 17091937 PKFWRSUPEXUCQM-UHFFFAOYSA-N 419.550 4.834 0 40 HJAB Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccccc4)n3C)n2)cc1 17092777 PDRYDKYZIXWKIC-UHFFFAOYSA-N 421.551 4.645 0 40 HJAB O=C(OCC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1)c1cccnc1Cl 17526959 OJVPKOUGYVKNJV-GOSISDBHSA-N 424.909 4.772 0 40 HJAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)CC2CCCCC2)on1 19121786 PNNOOWOOGAEDHK-LJQANCHMSA-N 411.550 4.530 0 40 HJAB Cc1ccc(NC(=O)CCc2nc3cc(Cl)ccc3n2C)c(-c2cc(C)n[nH]2)c1 19714203 YFCFUIXXQYDLDB-UHFFFAOYSA-N 407.905 4.805 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2Cl)cc1 20457253 DDJKWUJKUJIRPW-UHFFFAOYSA-N 406.935 4.512 0 40 HJAB CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccc(Cl)c1)C3 20796378 ULOQCEZEGILMCG-CQSZACIVSA-N 400.935 4.829 0 40 HJAB COc1ccc(CN2C(=O)/C(=C\N[C@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3C2=O)cc1 23295887 OBOIWTUNSQCWPD-AZFPVRROSA-N 418.537 4.633 0 40 HJAB CCOCc1c(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)oc2ccccc12 27569984 NZUQITLAYAWBGB-OAQYLSRUSA-N 422.525 4.545 0 40 HJAB CCN(Cc1nc(-c2ccccc2Cl)no1)S(=O)(=O)c1cc(C)c(C)cc1C 28218422 QIRVSVNECAGKCM-UHFFFAOYSA-N 419.934 4.526 0 40 HJAB COc1ccc([C@H](CC(C)C)NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 30758256 BGQQIBRBLSLMOI-HKFHZZIHSA-N 413.514 4.638 0 40 HJAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccc(-c2ccccc2F)s1 32816596 OEKLCFXZVJUHKE-UHFFFAOYSA-N 408.498 4.719 0 40 HJAB CCOc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4c3oc3ccccc34)C2)cc1 33290465 GKOIPXKCPGJBSG-MRXNPFEDSA-N 416.481 4.630 0 40 HJAB COc1cc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCO3)cc(OC)c1O 35615962 CQVRETUGPSXFOE-UHFFFAOYSA-N 419.437 4.505 0 40 HJAB O=C(Nc1nc(CN2CCCCC2)cs1)c1cccnc1Sc1ccccc1 36700701 NXFIFHFACQVYBI-UHFFFAOYSA-N 410.568 4.928 0 40 HJAB COC(=O)c1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 38835143 OGAGLSWSEVYACT-UHFFFAOYSA-N 421.324 4.631 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 40132486 HEQTXGJLISICFG-AWEZNQCLSA-N 401.432 4.669 0 40 HJAB Cc1ncc(CNC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)s1 40158527 YDEBTHOJWQCMEJ-UHFFFAOYSA-N 408.914 4.888 0 40 HJAB C[C@@H]1CN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)C[C@@H](c2ccccc2)O1 65591391 QQOMUWDGBLWIFL-QRWLVFNGSA-N 412.436 4.541 0 40 HJAB COc1ccc(-c2nc(C)cc(SCC(=O)NCc3ccccc3Cl)n2)cc1 67257507 VJAUOWZSEUQKTM-UHFFFAOYSA-N 413.930 4.523 0 40 HJAB COc1cccc(-c2nccc([C@H]3CCCN3C(=O)c3ccc4ccccc4n3)n2)c1 72355875 FNKMEVWCIILHTE-HSZRJFAPSA-N 410.477 4.678 0 40 HJAB Cn1cc(NC(=O)Nc2cccc(COC3CCCCC3)c2)c(-c2ccncc2)n1 95468899 STWWXOQFQFUIHN-UHFFFAOYSA-N 405.502 4.975 0 40 HJAB CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](c3ccc(N(C)C)cc3)[C@@H]1[C@H]2C 100742468 MATUOSYEEAMWHP-LVVYQPQFSA-N 400.563 4.793 0 40 HJAB Cc1nn(CCCNC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)c(C)c1Br 102637866 YFMLCRSAVWJEAT-DTTSREJYSA-N 422.411 4.765 0 40 HJAB CCNC(=O)c1cccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)c1 105039843 CCOPXHORZPOUEL-JKRLWXMKSA-N 402.538 4.913 0 40 HJAB C[C@]12CC[C@@H]3c4ccc(OC(=O)CCN5CCCCC5)cc4CC[C@H]3[C@H]1CCC2=O 105366095 KBZHXUQCKRKJLU-FCBCXNLDSA-N 409.570 4.893 0 40 HJAB biogenic CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(OC)c(C(C)(C)C)c2)cc1 141523136 VTTJFXHIXRPGKX-NRFANRHFSA-N 417.571 4.917 0 40 HJAB O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215182675 PNBPQCWBHOSXRK-FZSIALSZSA-N 408.262 4.959 0 40 HJAB CCOc1ccc(Br)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222585546 OADJETGXLHCHPK-JBBXEZCESA-N 418.360 4.832 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 222823586 RHTAJZZQQGFLOK-GOSISDBHSA-N 414.977 4.831 0 40 HJAB C[C@H](NS(=O)(=O)Cc1cccc(Br)c1)c1ccc2c(c1)CCCC2 222997497 ZPTHRKHEAJYJJV-AWEZNQCLSA-N 408.361 4.509 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1C 223083662 XBOCXIAGXUFMQW-ROUUACIJSA-N 400.950 4.523 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 223099726 GDMOROJMDSQMAY-UHFFFAOYSA-N 417.690 4.534 0 40 HJAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 223747216 VHWPQIPXSYDOCO-UHFFFAOYSA-N 416.587 4.597 0 40 HJAB CCC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224067778 HCHZQNFLJAYLSB-GFCCVEGCSA-N 415.342 4.713 0 40 HJAB CC(C)(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 224073637 BLVZJYRPBFDNFD-UHFFFAOYSA-N 422.550 4.715 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(OC(C)C)cc2)cc1 224948073 IBAJIXRGDKHMMB-JCMHNJIXSA-N 404.466 4.785 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 225051790 DKGNVDLPDFMTDM-DLBZAZTESA-N 418.940 4.662 0 40 HJAB CCOC1(C(=O)Nc2ccc(OCCN3CCC[C@@H](C)C3)cc2)CCC(C)CC1 225720286 ZAGTXMRRVPGXPW-ITGJCUMNSA-N 402.579 4.721 0 40 HJAB O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCCN(C[C@@H]2CC=CCC2)C1 247848265 HVAAQCQXBXDJRA-PLXFJCCSSA-N 403.570 4.550 0 40 HJAB CCCCC[C@]1(O)CCN(CC(=O)Nc2c(C)cccc2C)C[C@@H]1Oc1ccccc1 257254665 KEEJMPFQRZRVAN-OZXSUGGESA-N 424.585 4.707 0 40 HJAB CC1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccco3)cc2Cl)CC1 408624893 DGJZWCQXBYOZDX-FNORWQNLSA-N 403.935 4.696 0 40 HJAB Cc1ccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2cccc(Br)c2)cc1 408843962 SXLQAZKPZLKUIG-DEDYPNTBSA-N 418.294 4.987 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)c(C)c1 409005080 DGNMBVNUDAWMEG-UHFFFAOYSA-N 423.538 4.875 0 40 HJAB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(COc3ccc(C)cc3)cc2)cc1 409180544 WUIZFCNFKRCWNV-UHFFFAOYSA-N 418.445 4.539 0 40 HJAB COCCCN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 409240117 RNNITGMEZAAQHR-KGENOOAVSA-N 406.507 4.762 0 40 HJAB Cc1csc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccco3)nc(C)n2)n1 585292966 UUAIILGQMMZYFS-GFOMBABLSA-N 409.515 4.654 0 40 HJAB Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)N3CCCc4ccccc43)n12 929754 HOGXVUDPSMVMNC-UHFFFAOYSA-N 416.550 4.879 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)c1 996529 YOHKHVMKJVTPEQ-ZDUSSCGKSA-N 417.527 4.708 0 40 HJAB O=C(Oc1cccc2ccccc12)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1782165 MGUFUQCTAIMOSS-QHCPKHFHSA-N 421.452 4.653 0 40 HJAB COc1cc2c(cc1OC)-c1cc(Oc3cc(C)ccc3C(C)C)nc(=O)n1CC2 2132075 HQKDOKKVYTWDES-UHFFFAOYSA-N 406.482 4.708 0 40 HJAB biogenic CCn1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c2ccccc21 2163731 PPBYDGDDOVAIGK-UDWIEESQSA-N 419.506 4.645 0 40 HJAB CC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(OCc2ccccc2)cc1 2222679 NURNGRBKIZFTRI-VFNWGFHPSA-N 423.538 4.913 0 40 HJAB COc1cc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc(Cl)c1OC(C)=O 2284907 DWXQAKSAXUCKPZ-GRSHGNNSSA-N 421.836 4.772 0 40 HJAB Oc1ccccc1N1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 2636704 JBJKKGCIZZUFNE-UHFFFAOYSA-N 406.486 4.530 0 40 HJAB O=C(COC(=O)/C=C/c1ccc(Br)o1)Nc1cc(Cl)ccc1Cl 3232806 TUFGIJWKKBZTBX-ZZXKWVIFSA-N 419.058 4.544 0 40 HJAB CC(C)(C)n1nc2c(c1NC(=O)COc1ccc(Cl)cc1Cl)CSC2 4077294 MTTZDIMXYSODPG-UHFFFAOYSA-N 400.331 4.709 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1CCCC2 4551023 XPQNZFDWBBHQIO-UHFFFAOYSA-N 407.919 4.783 0 40 HJAB Cc1ccc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 4555050 BOLNGYVYAKWGHJ-VWLOTQADSA-N 419.908 4.964 0 40 HJAB Cc1ccc(C)c(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)c1 5029871 UKCPVMAYNHIRPJ-UHFFFAOYSA-N 401.514 4.549 0 40 HJAB CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cccs3)N2C1=O 5065979 ZJLFXPOCNWXOIW-QAPCUYQASA-N 412.536 4.530 0 40 HJAB COc1ccc(Br)cc1/C=C/C(=O)Nc1nc2ccc(F)cc2s1 5703248 UWXUVWQBAOPCCG-FARCUNLSSA-N 407.264 4.858 0 40 HJAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc(OC(F)F)cc1 6559535 RGYAJTUTYYTMDL-UHFFFAOYSA-N 408.455 4.614 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 6830969 SYBMJOIIABQHIP-HUUCEWRRSA-N 421.563 4.586 0 40 HJAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1 7088889 PZBQDKSNNPPTRX-IBGZPJMESA-N 406.511 4.920 0 40 HJAB CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCOC(C)C)cc1 8022489 KXROKEHGUCCHNT-JOCHJYFZSA-N 407.510 4.642 0 40 HJAB CC[C@@H](C)c1ccc(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)cc1 8719097 GMDWSPCAXLVAFK-NSYGIPOTSA-N 404.510 4.557 0 40 HJAB CCOc1cc([C@@H]2NC(=O)c3c(sc(C)c3C)N2)ccc1OC(=O)c1ccccc1 8842982 ODQVMMGLHSCFCK-HXUWFJFHSA-N 422.506 4.837 0 40 HJAB CC(C)N(C(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C)C(C)C 8886398 UVOJUOHHMMACGD-IEBWSBKVSA-N 415.607 4.829 0 40 HJAB CCN1C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Oc2ccccc21 8961114 RNQRCNZCXPUZOW-UHFFFAOYSA-N 408.479 4.568 0 40 HJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3cc(C)ccc3C)ccc1O2 8961493 SRUCHNDLDZFPIX-UHFFFAOYSA-N 422.506 4.795 0 40 HJAB COc1ccc(Nc2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)s2)cc1 9491420 GDKWMRWMUGBGFF-UHFFFAOYSA-N 424.910 4.814 0 40 HJAB COc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 9885446 YACQKAAEUAOGMG-LLVKDONJSA-N 423.325 4.702 0 40 HJAB COc1cccc(NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C2CCCC2)c1 10142079 WMSCWVDFKPFCJO-HNNXBMFYSA-N 423.538 4.640 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C(C)C)C(C)C)c2C)cc1 10335615 FRKHXZIGFORFLG-UHFFFAOYSA-N 402.560 4.515 0 40 HJAB CCn1c(C)c(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c2cc(OC)ccc21 12323217 YFFSGUCQLBYEMG-UHFFFAOYSA-N 405.473 4.797 0 40 HJAB C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)c(F)c1 12590908 FKSXXEJLTKITHG-HNNXBMFYSA-N 404.420 4.704 0 40 HJAB COc1ccccc1CNC(=O)Cn1c(-c2ccccc2Cl)nc2ccccc21 12649490 NIYYUIPYCWGTQX-UHFFFAOYSA-N 405.885 4.682 0 40 HJAB C[C@H](OC(=O)/C=C/c1cc2ccccc2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 12795612 YIWMNSANHQYLCK-UKYUDJEDSA-N 403.478 4.653 0 40 HJAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 13684705 WKSUKSISTUSNIV-UHFFFAOYSA-N 402.494 4.904 0 40 HJAB O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCN(Cc2ccccc2)CC1 13687600 IMWKADVQYWCKRO-UHFFFAOYSA-N 420.940 4.877 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 13750465 IGDNOVPTPQAEFM-QHAWAJNXSA-N 422.843 4.530 0 40 HJAB COc1ccc(-c2csc(NC(=O)CN[C@H](C)c3ccc(Cl)cc3)n2)cc1 14015020 WOPXLCXXLBXQTA-CYBMUJFWSA-N 401.919 4.761 0 40 HJAB COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc(OC)c1O 15016170 XZRWLORIUTVVOV-ZHRRBRCNSA-N 408.479 4.713 0 40 HJAB CN(C)C(=O)[C@H](c1ccccc1)C(c1ccccc1)[C@@H](C(=O)N(C)C)c1ccccc1 16931930 HVCLVYPRLVRRIB-QILAJZQNSA-N 414.549 4.514 0 40 HJAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 17088333 JSQDCCHGUHRZPF-BXUGYJKXSA-N 409.555 4.600 0 40 HJAB CC(C)(C)CC(=O)N1CCc2nc(-c3cccnc3)nc(Oc3ccc(F)cc3)c2C1 19082696 NLUDWYOSXRUOMN-UHFFFAOYSA-N 420.488 4.791 0 40 HJAB Cc1ccc2[nH]cc([C@@H](O)CN3CCC4(CC3)CC(=O)c3cc(C)c(C)cc3O4)c2c1 19220528 QOYMUANNAVJMRM-DEOSSOPVSA-N 418.537 4.627 0 40 HJAB CC(C)c1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4ccncc4)CC3)noc2n1 19452150 OBETWSKDCZNIBF-UHFFFAOYSA-N 418.419 4.780 0 40 HJAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1CCN(C(=O)C2CC2)CC1 21359402 GGIHQSXOTPJHPY-UHFFFAOYSA-N 405.523 4.550 0 40 HJAB COc1ccc(NC(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1OC 22679644 KOGNXWVFWCLVHZ-SFHVURJKSA-N 403.548 4.504 0 40 HJAB O=C(CSc1ccc2c(c1)CCC2)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 24561964 QPQBNAXNTKSSIX-HSZRJFAPSA-N 417.578 4.706 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)n2)c(C)c1 24834936 JVKMWQKZCYIBEY-QGZVFWFLSA-N 423.538 4.819 0 40 HJAB Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN23)cc1F 25329577 NQCJREXFLPZYPG-YKSBVNFPSA-N 420.415 4.978 0 40 HJAB COc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1cccc(C)c1C 28047764 MCBIRUOEEOMTPV-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB O=C(NCc1cccs1)c1ccccc1C(=O)c1ccc(Br)cc1 29582623 LXKXBTQIGJKQQA-UHFFFAOYSA-N 400.297 4.672 0 40 HJAB COC(=O)c1ccc(OCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)cc1 31677845 DTWCGQVYPFYFJK-UHFFFAOYSA-N 410.495 4.810 0 40 HJAB O=C(OCC(=O)N1CCCC1)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 33510836 PBNNZWOUGNVRFO-PEZBUJJGSA-N 418.518 4.562 0 40 HJAB CCOc1c(Br)cc(CN[C@H](C)Cc2ccco2)cc1Br 35254561 UNZOTHYXPDLVRM-LLVKDONJSA-N 417.141 4.924 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)o1)Nc1ccc(OC(F)(F)F)cc1 35586237 WAVKTSYVIZKJIT-UHFFFAOYSA-N 413.352 4.505 0 40 HJAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cncn2-c2ccc(F)cc2)c1 37141777 AGGJDVKNTPBRGQ-UHFFFAOYSA-N 415.428 4.908 0 40 HJAB C[C@@H]1c2ccsc2CCN1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 37200219 XEFQOYXVOCEESW-CVEARBPZSA-N 411.596 4.683 0 40 HJAB Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)Cc1noc2ccccc12 40134220 BZVITWOEILEVHJ-UHFFFAOYSA-N 400.438 4.961 0 40 HJAB Cc1sc2nc(CN3CCC(C)CC3)nc(NC[C@H]3CCN(C(C)C)C3)c2c1C 58196677 FWPXIPGOHPKRIA-LJQANCHMSA-N 415.651 4.682 0 40 HJAB O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(Cl)c1 67292953 KSSTWCZKZJJLRA-YEUWRSSNSA-N 417.292 4.881 0 40 HJAB Nc1ncc(-c2ccccc2F)c([C@@H]2CCCCN2C(=O)CCc2ccccc2)n1 72376904 OVUUGLIKBROMGI-NRFANRHFSA-N 404.489 4.551 0 40 HJAB CN(c1ccc(OC(=O)c2ccccc2F)cc1)S(=O)(=O)c1ccc(Cl)cc1 89365291 RSXSVHBQOLVDPA-UHFFFAOYSA-N 419.861 4.523 0 40 HJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3ccccn3)CC2)on1 100743796 ZPXIECWXLRSVJJ-HDICACEKSA-N 419.529 4.662 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)N[C@H](C)CC)cc1 225124537 ATNAGHLWQQXLFO-NHCUHLMSSA-N 408.586 4.822 0 40 HJAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(N2CCCC2=O)cc1 225625958 YVGSRGUSHANLMR-UHFFFAOYSA-N 411.571 4.521 0 40 HJAB CC[C@@H](CNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)Cc1ccccc1 225633554 HIMIBDVQZAOCBE-LJQANCHMSA-N 409.599 4.868 0 40 HJAB CCCOC1(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)CCCCCC1 225659179 ICZVFJJNLDWMKE-UHFFFAOYSA-N 416.562 4.536 0 40 HJAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CC(C)C)cc1OC 257269723 MRCOUSBIYBZIIG-FYFGABSMSA-N 415.574 4.749 0 40 HJAB CCc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N(CC)CC)cc1 409216698 ODMVNUDOEJNBRA-UHFFFAOYSA-N 422.598 4.575 0 40 HJAB CN(Cc1csc(Br)c1)C(=O)c1noc2c1CCc1ccccc1-2 1528035229 AYDJIRVCFLNJSJ-UHFFFAOYSA-N 403.301 4.536 0 40 HJAB O=C(c1cccc(Cl)c1)N1CCC(F)(F)[C@@]2(CCN(c3cccc(F)c3)C2)C1 2055803666 BALPBJJDWHVCNG-HXUWFJFHSA-N 408.851 4.857 0 40 HJAB Cc1nc2ccccn2c1-c1csc(NC(=O)c2ccc(Br)cc2)n1 873733 VRXDKMCPIGUKBK-UHFFFAOYSA-N 413.300 4.781 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2nnc3c(C)cc4c(C)cc(C)cc4n23)cc1 877216 FMCMKGMZEKWOIF-UHFFFAOYSA-N 418.522 4.741 0 40 HJAB CCn1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1cccnc1 917232 WKVKXPBYHQJETB-HNNXBMFYSA-N 403.511 4.633 0 40 HJAB COc1ccc(-n2c(C)nnc2S[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1 1223563 JAUAXMUUBBIIHS-HNNXBMFYSA-N 418.522 4.857 0 40 HJAB COc1ccc(NC(=O)c2sc3nc4c(C)c(C)ccc4cc3c2N)c(OC)c1 1342906 BJLZOOFQXRNTEJ-UHFFFAOYSA-N 407.495 4.918 0 40 HJAB COC(=O)Cc1c(C)c2cc(Cl)c(OCc3cccc(Cl)c3)cc2oc1=O 2233326 OICRTTPBCLHKLG-UHFFFAOYSA-N 407.249 4.703 0 40 HJAB Cc1cccc(NC(=O)c2c(N)n(-c3cccc(F)c3)c3nc4ccccc4nc23)c1 2290460 DGFCYDCHYAKKSN-UHFFFAOYSA-N 411.440 4.856 0 40 HJAB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)NCc1ccccc1Cl 2617384 YXTMLYQDOJLYIS-LFIBNONCSA-N 417.939 4.863 0 40 HJAB COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1ccccc1F 2690284 ADFVFUHYRKPHRI-UHFFFAOYSA-N 405.400 4.568 0 40 HJAB CCOc1ccc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2)cc1OCC 4120068 AZMIKZCGQSAXJU-UHFFFAOYSA-N 418.946 4.883 0 40 HJAB CSc1ccc([C@H]2NC(=S)NC(C)=C2c2nc(-c3ccc(C)cc3)no2)cc1 4483830 WKDUUKYABZHMLG-GOSISDBHSA-N 408.552 4.717 0 40 HJAB O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccccn1)c1ccccc1 4848534 QENAJNYLXYRIRZ-XMMPIXPASA-N 413.521 4.919 0 40 HJAB COc1cc(Br)cc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1ccc(C)cc1 5043228 KVSMBNVRPLHWLA-DNVCBOLYSA-N 403.276 4.536 0 40 HJAB Cc1sc2nc(CSCc3cc(Cl)cc4c3OCOC4)[nH]c(=O)c2c1C 5254983 FQLVROJXJYZIJI-UHFFFAOYSA-N 408.932 4.555 0 40 HJAB Cc1ccc(NC(=O)Cc2nc(COC(=O)c3cc4c(s3)CCC4)cs2)cc1 5308560 IKVKLFZFWPTGSG-UHFFFAOYSA-N 412.536 4.540 0 40 HJAB CC1(C)Cc2c(sc3ncn4nc(COc5ccc6ccccc6c5)nc4c23)CO1 5348340 HBXPOFHVTHOWEO-UHFFFAOYSA-N 416.506 4.923 0 40 HJAB CC(C)NC[C@@H](O)COc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 5962950 CVKJFGQPZYUYQB-HSZRJFAPSA-N 421.537 4.582 0 40 HJAB CC(C)(C)[C@H]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(S)n32)C1 6166614 PPOYNLBIOQUTIK-LBPRGKRZSA-N 410.568 4.535 0 40 HJAB COc1ccc(C2=Nc3ccc(OC(F)(F)F)cc3C(c3ccc(C)o3)=NN2)cc1 6234248 MIUKYFFVDVPCPE-UHFFFAOYSA-N 415.371 4.929 0 40 HJAB C[C@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)[C@@H]1C 6586030 PDMKLCHUTQOBRW-FRQCXROJSA-N 414.619 4.813 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(NC(=O)c2cccs2)c1 6652372 WPSNOSSXKLFKEN-UHFFFAOYSA-N 414.870 4.677 0 40 HJAB CCc1ccc(OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cc1 6790831 HQTSLXDMOSDWOY-OAHLLOKOSA-N 421.946 4.542 0 40 HJAB CCCN(CCC)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 7094834 ABLVNNVIPFKKCQ-UHFFFAOYSA-N 423.586 4.687 0 40 HJAB CCn1c(SCC(=O)OCc2c(F)cccc2Cl)nnc1-c1ccccc1 7556898 TVAWKOOZQLGZHY-UHFFFAOYSA-N 405.882 4.593 0 40 HJAB O=C(Nc1ccc(-c2nccs2)cc1)c1cccc(I)c1 7684139 RHZWERMJCXFUSH-UHFFFAOYSA-N 406.248 4.667 0 40 HJAB CC(=O)c1sc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)nc1C 7717480 RRIZWGHJHRGDJR-UHFFFAOYSA-N 408.508 4.821 0 40 HJAB O=C([C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccccc1)N1CCCCC1 7799901 RMOGZEHGCWJRRH-FQEVSTJZSA-N 419.554 4.521 0 40 HJAB CC(C)(C)[C@@H]1CCc2c(sc3ncc(NC(=O)c4ccccc4Cl)c(=O)n23)C1 9029121 UVMBRIBAYGVMRC-GFCCVEGCSA-N 415.946 4.813 0 40 HJAB COc1ccc(CCC(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1 9036937 TUARHFGMYXWUHI-UHFFFAOYSA-N 420.534 4.527 0 40 HJAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 9553512 JYJZNYBMMGZNNX-SFHVURJKSA-N 406.935 4.546 0 40 HJAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(O)cc2)N1Cc1ccc(F)cc1 9592956 JJDJANQWDKNUKA-NRFANRHFSA-N 419.383 4.522 0 40 HJAB COc1ccc(OCc2nnc(SCc3cccnc3)n2-c2ccccc2F)cc1 9717159 JFFFCLLQNHUMEL-UHFFFAOYSA-N 422.485 4.681 0 40 HJAB CN(C)CCN(C(=O)Cc1ccc(Cl)s1)c1nc2c(Cl)cccc2s1 10061589 JEBWGMDDDZOWFQ-UHFFFAOYSA-N 414.383 4.802 0 40 HJAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(N2CCCCCC2)cc1 12598807 VYOSWIIERHYKKZ-UHFFFAOYSA-N 407.514 4.894 0 40 HJAB O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2cccc3ccccc23)CC1 12788318 BJWOAHQPKLFALD-UHFFFAOYSA-N 406.913 4.662 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cc3)C2)c2ccccc12 12918666 FYJIKZNQDBZUGF-GOSISDBHSA-N 402.494 4.648 0 40 HJAB C[C@@H](Sc1nnc([C@@H](C)Oc2ccc(F)cc2)o1)C(=O)N(C)C1CCCCC1 12982377 PGHVFPZTMDBHRN-ZIAGYGMSSA-N 407.511 4.620 0 40 HJAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 14227890 HAZKHQUKYZJAMR-UHFFFAOYSA-N 420.943 4.925 0 40 HJAB CN(Cn1nc(CSc2nc3ccccc3s2)n(C)c1=S)C1CCCC1 14238589 LUHFSQCXBSZTAV-UHFFFAOYSA-N 405.618 4.685 0 40 HJAB O=C(Nc1ccccc1Cl)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1 15987542 REPOKPDGIIIKPB-UHFFFAOYSA-N 424.913 4.872 0 40 HJAB Cc1ccc(NC(=O)Cn2c(C)nc3c(sc4cccc(F)c43)c2=O)c(Cl)c1 16843801 JUIYSRLUQAEINF-UHFFFAOYSA-N 415.877 4.659 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(Cc2ccccn2)C1 19449584 KYSQRYIBQSQXQT-VWLOTQADSA-N 419.594 4.770 0 40 HJAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(OCCC(C)C)c1 20672472 TYVBYYQTZKFXNN-JOCHJYFZSA-N 405.498 4.923 0 40 HJAB Cc1cccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5C)nc4nc3C2)c1 20796060 ZXRCNZMRXAWFNL-LJQANCHMSA-N 414.534 4.946 0 40 HJAB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 20802585 OACLWWPEJSFGCW-FGZHOGPDSA-N 419.525 4.506 0 40 HJAB Cc1cc(F)ccc1NC(=O)CCc1nc(CSc2nc3ccccc3o2)no1 21721401 HQEDPANBLUTVOF-UHFFFAOYSA-N 412.446 4.522 0 40 HJAB COc1ccccc1CNC(=O)c1cccnc1Nc1ccccc1Br 22073052 AEKNRZHODVXPQS-UHFFFAOYSA-N 412.287 4.526 0 40 HJAB COC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2C(C)C)c(Br)c1 23074366 SGQWGYJFTMRJNW-CYBMUJFWSA-N 420.303 4.765 0 40 HJAB Cc1ccc(Nc2nc(N)nc(CSCc3coc(-c4cccs4)n3)n2)cc1 27195986 ZYVYFFVNIMXNEN-UHFFFAOYSA-N 410.528 4.656 0 40 HJAB Cc1ccc(-c2csc3c(=O)n(CC(=O)Nc4cc(C)cc(C)c4)cnc23)cc1 38651718 VZYHMLQKVCSYRB-UHFFFAOYSA-N 403.507 4.689 0 40 HJAB O=C(CCSCc1nc(-c2ccccc2Cl)no1)Nc1ccc(F)c(F)c1 40067449 LHSIPTOTJNAOOH-UHFFFAOYSA-N 409.845 4.930 0 40 HJAB CC(C)c1c(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cnn1-c1cccc(Cl)c1 40069740 XKZUDKLSBKADMN-UHFFFAOYSA-N 422.916 4.794 0 40 HJAB COc1ccc(OC)c([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)c(Cl)c2)c1 40287586 LFTVKFAJFWSFIK-CQSZACIVSA-N 401.825 4.806 0 40 HJAB O=C(NCCSCc1ccccc1F)[C@@H]1CCCN(Cc2ccccc2Cl)C1 44909024 CHOKABHCBDHLEY-GOSISDBHSA-N 420.981 4.741 0 40 HJAB O=C(NCCOc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2cccs2)c1 48325489 CDOHOYDDUGPJPP-UHFFFAOYSA-N 415.902 4.854 0 40 HJAB O=C(CN1CCCC[C@@H]1c1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 57531705 JDUMBRAECBYFPB-OAQYLSRUSA-N 418.566 4.664 0 40 HJAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 58268996 SCRVFBVYMVFLIT-GCJKJVERSA-N 409.530 4.680 0 40 HJAB CCOCCCNC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 84801310 NUAHUYZYDSRODN-UHFFFAOYSA-N 418.493 4.888 0 40 HJAB OC1=Nc2ncn(-c3cccc(Br)c3)c2[C@@H](c2cccc(O)c2)SC1 95478266 RAGFMQPHXQBDPT-QGZVFWFLSA-N 416.300 4.765 0 40 HJAB CCc1ccc(NC(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)cc1 96037672 WAXVHRIXNUYWAM-UHFFFAOYSA-N 415.541 4.770 0 40 HJAB CCc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(OC)c(F)c2)no1 98211397 XRYNRRLQXVDIIN-UHFFFAOYSA-N 420.444 4.554 0 40 HJAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C1CC1)[C@H](C)c1ccc(Cl)cc1 107089696 SHUCLUKNTYWAJZ-HZPDHXFCSA-N 411.933 4.629 0 40 HJAB C[C@H](CC(=O)Nc1ccc(OCc2ccccc2)cc1)CC(=O)Nc1ccccn1 199430133 OHOYEMYVEJHGHH-GOSISDBHSA-N 403.482 4.654 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3=CCCCC3)c(Cl)c2)cc1 224403641 KKTTVHSENZJZLJ-UHFFFAOYSA-N 418.946 4.679 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C(=O)OC)ccc1Cl 224740749 YDJCFTCFZXDHCA-HXUWFJFHSA-N 401.890 4.802 0 40 HJAB CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224942077 XMVIEIDVTUYNSC-UHFFFAOYSA-N 422.717 4.649 0 40 HJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225066127 BRXUPUNPIYRWPN-OAQYLSRUSA-N 408.586 4.729 0 40 HJAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1cccc(Br)c1 225808140 SSUJDVVECKZCDJ-UHFFFAOYSA-N 406.667 4.724 0 40 HJAB O=C(Nc1ccccn1)[C@H]1[C@H]2C=C[C@@H](C2=C(c2ccccc2)c2ccccc2)[C@H]1C(=O)O 226120972 AJALKHZZBSHUSA-OTLGMJNYSA-N 422.484 4.655 0 40 HJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc2c(ccc3ccccc32)o1 408627748 PIEXBZGRFDOFFT-UHFFFAOYSA-N 405.406 4.642 0 40 HJAB CCc1nc(S/C(=C\c2c(-c3ccccc3)[nH]c3c(OC)cccc23)C(=O)O)n[nH]1 408631375 ICPKEHAESMSIRJ-ATVHPVEESA-N 420.494 4.742 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 409004920 CFLQNTDMFRRXID-UHFFFAOYSA-N 405.479 4.841 0 40 HJAB CC[C@@H](C)Oc1c(Br)cc(/C=C2/SC(=O)N(CC)C2=O)cc1OC 409074133 SBUQPZMCCQPPAX-GMROUXNLSA-N 414.321 4.691 0 40 HJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OC(C)C)cc3)C2=O)c1C 409347674 QLKDIXCEMGEIFP-NDENLUEZSA-N 424.522 4.766 0 40 HJAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3c(F)cccc3Cl)C2=O)c1 409349806 UXBQWWXNJAEYBA-MFOYZWKCSA-N 418.877 4.771 0 40 HJAB CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1ccc(Cl)cc1Cl 409384057 YJACFJGZZYCFLA-UHFFFAOYSA-N 423.321 4.551 0 40 HJAB O=C(c1cccc(F)c1F)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 552850961 FGYFMXUAWIFUGV-NRFANRHFSA-N 421.491 4.667 0 40 HJAB COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)c1 703975 BBEOFYGQKMQLHT-QHCPKHFHSA-N 411.457 4.855 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)sc2c1CCC2 846890 KWMBJFXHVUAXFZ-UHFFFAOYSA-N 401.528 4.863 0 40 HJAB COc1ccc(CCNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC 1322762 YKKQPKYARUJQKK-UHFFFAOYSA-N 412.489 4.892 0 40 HJAB biogenic CCCCc1nc2sc3c(SCC(=O)OCC)ncnc3c2c2c1CCC2 2227322 GPSNFFAGCFMPCS-UHFFFAOYSA-N 401.557 4.726 0 40 HJAB O=S(=O)(Nc1ccccc1N1CCCCC1)c1c(F)cc(F)c(Cl)c1F 2647345 SKNJPFIOKLCMEG-UHFFFAOYSA-N 404.841 4.548 0 40 HJAB COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4)cc2-3)OCO5)cc1 2688260 ZAPKOXBVEQBKSU-UHFFFAOYSA-N 409.445 4.989 0 40 HJAB COc1cccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3n2)c1 2746044 ALKYLJNJNXOVEU-UHFFFAOYSA-N 423.516 4.873 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)N3CCc4ccccc4C3)s2)cc1C 3249651 CMWJUGVWGINFFB-UHFFFAOYSA-N 410.568 4.576 0 40 HJAB CC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)cc1 3261859 FBGFEIDSAWKRPT-UHFFFAOYSA-N 416.477 4.502 0 40 HJAB CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1nc2ccccc2s1 3430258 BBDAXAOIZAANKI-UHFFFAOYSA-N 413.568 4.574 0 40 HJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CCN5CCCC5)CC[C@@]43C)[C@@H]1CCC2=O 4083827 HKTXNASFTOEERZ-BNCSLUSBSA-N 413.602 4.916 0 40 HJAB biogenic CC(C)(C)c1ccc(S(=O)(=O)N2CCCN=C2SCc2ccccc2)cc1 4105518 QHTDEOBGSLZQFS-UHFFFAOYSA-N 402.585 4.668 0 40 HJAB CCCc1cc(C(=O)OCC)c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)s1 4903591 UURQRNAEFYOBCJ-JFTQMJAMSA-N 419.543 4.509 0 40 HJAB CCCN1C(=O)CS[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 4950344 VFEWHDFJBHMHHC-HSZRJFAPSA-N 423.538 4.541 0 40 HJAB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NC3CCCC3)c2C1 6022904 LITHKIZDTWOXSS-INIZCTEOSA-N 408.542 4.601 0 40 HJAB CCCCN1C(=O)CC[C@H](C(=O)NC2CCCCCC2)[C@H]1c1ccc(OC)cc1 6508695 OJUNXKVLFVZVPY-JTHBVZDNSA-N 400.563 4.614 0 40 HJAB CCOc1ccc(-n2c(SCc3c(C)noc3C)nnc2-c2cccnc2)cc1 6617473 RZZZSGSBJHIHFM-UHFFFAOYSA-N 407.499 4.625 0 40 HJAB COc1cc(-c2nnc(SCc3ccc(F)cc3Cl)o2)cc(OC)c1OC 6640317 VAGVYFQHKHCYMJ-UHFFFAOYSA-N 410.854 4.847 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc34)o2)c1C 7645811 QYCUZLMTDNXJHH-CYBMUJFWSA-N 408.483 4.729 0 40 HJAB COc1ccc(-c2noc(COC(=O)C3c4ccccc4Oc4ccccc43)n2)cc1 8499153 LSTHYLYOHDQGMM-UHFFFAOYSA-N 414.417 4.726 0 40 HJAB CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 8961225 KOUVGEZZUFGBHF-UHFFFAOYSA-N 408.479 4.969 0 40 HJAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)c(OC)c1 9404028 ZVVDHIUXJHHRHD-UHFFFAOYSA-N 421.931 4.607 0 40 HJAB COc1ccc(Cl)cc1NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 9549514 GEWULQVLRZJQNE-MRXNPFEDSA-N 415.902 4.793 0 40 HJAB COc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)cc1 10178371 GGIZCQMMNLTHPV-UHFFFAOYSA-N 421.547 4.903 0 40 HJAB CC(C)(C)c1ccccc1NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 12195063 YGOSAIMCOMLHRU-UHFFFAOYSA-N 420.962 4.820 0 40 HJAB CCC[C@@H](CNC(=O)COc1ccc(CC(=O)O)cc1)c1ccc(Cl)cc1Cl 12756148 TXRKTMVCOPPPLX-HNNXBMFYSA-N 424.324 4.699 0 40 HJAB CC(=O)Nc1ccc(SCc2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1 14241345 QIHWOZIUADZLTG-UHFFFAOYSA-N 413.549 4.964 0 40 HJAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cc(Cl)ccc2OC)cc1 17094145 PLJPKRFUQNIAPF-UHFFFAOYSA-N 424.884 4.767 0 40 HJAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C2CCCC2)C1 19528855 SMVCBQXZGDOTMG-SANMLTNESA-N 422.544 4.580 0 40 HJAB Cc1nn(C)cc1-c1csc(NC(=O)c2c(-c3ccc(Cl)cc3)noc2C)n1 19718257 CKCDBRRJAUDJBD-UHFFFAOYSA-N 413.890 4.721 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCC3)ccc2Cl)c1C 20041456 PSAROYZVMMNROJ-UHFFFAOYSA-N 420.962 4.772 0 40 HJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 20492249 ODQDIVBRWNLJFJ-MRXNPFEDSA-N 401.528 4.826 0 40 HJAB COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(C)cc1 20611395 CQNCMFMMYKHGKI-UHFFFAOYSA-N 423.856 4.878 0 40 HJAB COc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4ccccc4cc23)cc1OC 21596652 VQZAZGBVWMRMMQ-UHFFFAOYSA-N 404.470 4.510 0 40 HJAB COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 22072887 PLJZFLVLFHSJAA-UHFFFAOYSA-N 403.360 4.985 0 40 HJAB COc1ccc(NC(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)cc1OC 23136860 VMZBUCOXWJVLPW-UHFFFAOYSA-N 421.425 4.758 0 40 HJAB Cc1cc(C)cc(NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)c1 26563246 SFSLRHZPLYSMJP-QFIPXVFZSA-N 403.482 4.834 0 40 HJAB O=C(N[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1)c1ccc(F)cc1 26964713 DVHOQGYVKZBYDX-HXUWFJFHSA-N 416.374 4.895 0 40 HJAB c1ccc2c(c1)oc1c(N3CCN(Cc4csc5ccccc45)CC3)ncnc12 28620169 FOVUPINXRYZQJB-UHFFFAOYSA-N 400.507 4.913 0 40 HJAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1cccc(CN2C(=O)CSC2=O)c1 32397684 ZXVNILQHFXELLV-LJQANCHMSA-N 414.552 4.605 0 40 HJAB C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)NCc2cccc(Cl)c2)CC1 32843750 XHEPHJFSRNNNMY-HNNXBMFYSA-N 414.962 4.538 0 40 HJAB C[C@H](Oc1ccc(F)cc1)c1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)o1 32945463 BQHUXEGZSSFIQI-WDEREUQCSA-N 422.869 4.516 0 40 HJAB NC(=O)NCc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 32991100 WMBCENYCQHZCBP-UHFFFAOYSA-N 403.526 4.575 0 40 HJAB OCc1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 34772833 PVMBOELOUCWPBV-UHFFFAOYSA-N 409.050 4.669 0 40 HJAB O=C(/C=C/c1ccco1)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 39759308 PZGGZKNSOPJTMM-OUKQBFOZSA-N 416.462 4.702 0 40 HJAB CC(C)(C)c1nc2cc(NC(=O)c3ccc(CN4CCC(CO)CC4)cc3)ccc2o1 40152815 AHAOKESVPJPPND-UHFFFAOYSA-N 421.541 4.582 0 40 HJAB O=C(Sc1ccc(Cl)cc1)C1=NN=C(c2ccc(Br)cc2)CO1 41104950 KYFDAWKJMGPGRL-UHFFFAOYSA-N 409.692 4.554 0 40 HJAB CSc1ccc([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)c3c2sc(=O)n3C)cc1 49550524 CVIJEOGBPNPSAI-AWEZNQCLSA-N 418.490 4.647 0 40 HJAB O=C(CCc1nc(-c2cccs2)no1)N(Cc1ccccc1)Cc1ccccc1 53267164 HXOTYFWZRMSQLI-UHFFFAOYSA-N 403.507 4.960 0 40 HJAB O=C1CCN([C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CC1 58146084 TZFHUSUPZICINQ-SFHVURJKSA-N 410.823 4.704 0 40 HJAB NC(=O)c1cc(-c2csc(-c3ccc(NC(=O)c4cccs4)cc3)n2)ccc1O 58168160 HSMDWIXKERLPIU-UHFFFAOYSA-N 421.503 4.595 0 40 HJAB O=C(CSCc1ccccc1)Nc1nnc(-c2ccc(OC(F)(F)F)cc2)o1 61973976 DHGRCEBZWFHOLN-UHFFFAOYSA-N 409.389 4.507 0 40 HJAB Cc1ccc(-c2nc(C)c(C(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)s2)o1 69487024 LEGXYXKZDBLUJC-FUHWJXTLSA-N 400.475 4.809 0 40 HJAB CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(OC(C)C)cc3)[nH]n2)cc1 72331582 NFOOSAXREKKAET-UHFFFAOYSA-N 407.514 4.973 0 40 HJAB CN(C(=O)c1ccc(CN2CCCCC2)cc1)c1nc2c(s1)CCc1occc1-2 72346980 UMSCZMNTBKESHD-UHFFFAOYSA-N 407.539 4.764 0 40 HJAB COc1cccc(-n2c(SCc3cnoc3C3CC3)nc3ccccc3c2=O)c1 89471407 MOHCNYDFYINHAJ-UHFFFAOYSA-N 405.479 4.552 0 40 HJAB COCc1ccc(CN2[C@@H]3CC[C@@H]2c2cnc4cc(-c5cccc(C)c5)nn4c2C3)o1 100141215 MMWHEIPUIIYTKV-WZONZLPQSA-N 414.509 4.706 0 40 HJAB O=c1c2c3n(c(SC/C(Cl)=C/Cl)nc-2nn1-c1ccccc1)CCCCC3 102037302 ZWXJGCDAIVCDNN-QBFSEMIESA-N 421.353 4.671 0 40 HJAB Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)c1 102714656 CZNJUCWEUUULRC-BHIFYINESA-N 418.880 4.700 0 40 HJAB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c1OC 205657162 VOVNNUKJDUOBRR-LZYBPNLTSA-N 407.850 4.733 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 223094423 BZKCEKRIAJWDMI-FQEVSTJZSA-N 412.599 4.729 0 40 HJAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)ccc1Br 223660989 JDPOWLOLCUDKIX-UHFFFAOYSA-N 410.333 4.662 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccccc3C)c2)c1 223952841 MRUWNDIPGYQCKQ-GOSISDBHSA-N 408.523 4.595 0 40 HJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 224483536 GIQJMTLAPVINFO-ZWKOTPCHSA-N 414.328 4.923 0 40 HJAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 224874929 JKFQUHCMEXMXPK-UHFFFAOYSA-N 400.205 4.834 0 40 HJAB COc1cccc(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)c1 224886833 TVLBKJGVVVRGNA-UHFFFAOYSA-N 401.260 4.684 0 40 HJAB C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CSc1ccccc1 224979147 MDJUMNPCEJAMTQ-FQEVSTJZSA-N 424.610 4.687 0 40 HJAB C[C@@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NCc3ccco3)n2)C1 225912436 AONGGOYMKBNTGK-MRXNPFEDSA-N 423.542 4.585 0 40 HJAB COc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc2sc(N)nc12 226312505 HKXACMWYECUEAK-QMMMGPOBSA-N 412.298 4.600 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc3c(ccc4ccccc43)o2)cc1 408629735 HBNFVVHKTRULAU-UHFFFAOYSA-N 422.506 4.869 0 40 HJAB CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)CC1 408708793 STIPOLLFLFKVNW-XEVCZEQESA-N 414.590 4.938 0 40 HJAB Cc1c(F)cccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 409171337 ZJRDQIFVTWVFLK-UHFFFAOYSA-N 422.279 4.677 0 40 HJAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409216740 LANTZFQUCHLGEE-LICLKQGHSA-N 417.870 4.523 0 40 HJAB O=C(Nc1nnc(-c2ccccn2)s1)c1ccc(Oc2ccccc2Cl)nc1 531069344 QXKMMANYMQRNNN-UHFFFAOYSA-N 409.858 4.693 0 40 HJAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1cn2c(n1)CCCC2 575620243 OWXVVDPYMHRWKZ-UHFFFAOYSA-N 415.415 4.923 0 40 HJAB COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cnn(-c2cc(C)ccc2C)c1C 1139249056 ASROQCTVOLHDIG-QFIPXVFZSA-N 411.933 4.911 0 40 HJAB CSc1ccccc1NC(=O)N1CCC[C@@]2(CCCN(Cc3ccccn3)C2)C1 2056223239 SOGRWQNNSQRFRR-HSZRJFAPSA-N 410.587 4.714 0 40 HJAB Cc1ccc(C(=O)CN2C(=O)CN=C(c3cccs3)c3c2sc2c3CCC2)cc1 924544 AEFJVSOZSIUVPC-UHFFFAOYSA-N 420.559 4.674 0 40 HJAB Cc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=O)c2cccnc2)cc1 1359464 PBSFJJYHGMTTRW-UHFFFAOYSA-N 411.505 4.691 0 40 HJAB O=S(=O)(CCN(Cc1ccccc1)Cc1ccccc1)Oc1ccc(Cl)cc1 2262084 LEEKGAQFJIDIGS-UHFFFAOYSA-N 415.942 4.751 0 40 HJAB CCCCN(CCCC)C(=O)CSc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3 2308050 SXYYWKKTXHBSRY-CQSZACIVSA-N 420.648 4.919 0 40 HJAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NCCc1ccc(F)cc1 2657982 VDVIPJJQROYQCP-UHFFFAOYSA-N 423.538 4.948 0 40 HJAB CCc1sc(-c2nc3c4c5c(sc4ncn3n2)CCC5)cc1Br 2786700 AOWARHJOTSLZNO-UHFFFAOYSA-N 405.346 4.881 0 40 HJAB Cc1noc(C)c1CSc1nnc(COc2ccccc2F)n1-c1ccccc1 3308716 HPEHNNYAIZZOCY-UHFFFAOYSA-N 410.474 4.883 0 40 HJAB Cc1noc(C)c1CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1 3352871 PUQVYGNIAGOMSM-HXUWFJFHSA-N 420.494 4.677 0 40 HJAB CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@H]21 3831450 RYMZZMVNJRMUDD-MKPQAFFTSA-N 418.574 4.586 0 40 HJAB in-vivo COc1cc(CNc2ncc(-c3ccc(C)c(C)c3)n2C)cc(Br)c1O 4678802 DDPLSUCVAFJHBF-UHFFFAOYSA-N 416.319 4.793 0 40 HJAB CCCCOCCCNC(=O)C1CCN(Cc2cccc(Cl)c2Cl)CC1 4682113 JGKWPOGCHWONFR-UHFFFAOYSA-N 401.378 4.528 0 40 HJAB Cc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(Cl)cc2)cc1 4732411 UUHXBKUAOFKQRX-UHFFFAOYSA-N 403.873 4.603 0 40 HJAB CCc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(C)cc4C)c(=O)c23)cc1 5236291 JNLSNFHDKVMHMP-UHFFFAOYSA-N 417.534 4.943 0 40 HJAB COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)cc1OC 5256087 KAANDUVLZKJGRB-NRFANRHFSA-N 411.889 4.796 0 40 HJAB CC(=O)Nc1ccc(C2=N/C(=C\c3ccccc3OCc3ccccc3)C(=O)O2)cc1 5383158 VAIIVFCCFBXSTN-JCMHNJIXSA-N 412.445 4.569 0 40 HJAB O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 5626388 OGMVHOGWERLUBD-UHFFFAOYSA-N 418.884 4.811 0 40 HJAB CC(C)c1ccc(-c2csc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n2)cc1 6257164 AOZPAUKJWIKLOS-UHFFFAOYSA-N 419.506 4.839 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 6352288 PYZRINZMRQOMQR-UHFFFAOYSA-N 414.914 4.956 0 40 HJAB COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1OC 6623880 LWVKUUFMVJSQGW-UHFFFAOYSA-N 421.449 4.663 0 40 HJAB biogenic CCCCCCN(C(=O)CSc1ncn[nH]1)c1nc(-c2ccccc2)cs1 6888006 BYDDJFRALNTTCV-UHFFFAOYSA-N 401.561 4.634 0 40 HJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(Cl)cn1 7763673 KVFNXZSHLZJBKV-JTQLQIEISA-N 405.936 4.509 0 40 HJAB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)no1 8130700 UCNXDNKRXKBXNM-UHFFFAOYSA-N 417.922 4.741 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3nc(C)c(C)s3)n2CC(C)C)c1 8388659 JOFZGLMKVCWADL-UHFFFAOYSA-N 415.588 4.714 0 40 HJAB CCOC(=O)c1c(NC(=O)CN2CCCC[C@H]2C)sc(-c2ccccc2)c1C 8428907 XGJMTHRJMFWSGM-OAHLLOKOSA-N 400.544 4.713 0 40 HJAB COc1cc(CNn2cn[nH]c2=S)cc(Cl)c1OCc1ccc(Cl)cc1 8470214 MELVKSAEAACEBU-UHFFFAOYSA-N 411.314 4.579 0 40 HJAB COc1ccc(-c2c(C)n[nH]c2-c2ccc(OCCN3CCC(C)CC3)cc2O)cc1 8743933 UDZDRWOMAGTQSN-UHFFFAOYSA-N 421.541 4.877 0 40 HJAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1Sc1ccc(Cl)cc1 8825010 SFPNZLJKDZQDJU-UHFFFAOYSA-N 421.909 4.840 0 40 HJAB Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1 8961521 FBNQWPZNXQPAAB-UHFFFAOYSA-N 422.506 4.628 0 40 HJAB O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCc2[nH]c3ccccc3c2C1 9314464 JLXDVCZPENHUGV-UHFFFAOYSA-N 414.836 4.587 0 40 HJAB CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(C)c3)c3ccccn23)cc1 9316505 FAASRJRLAYCQQN-UHFFFAOYSA-N 413.477 4.712 0 40 HJAB CN(C)C(=O)[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1 9742841 JLJHYVUTJAQGAM-IBGZPJMESA-N 420.563 4.917 0 40 HJAB COc1ccc(-c2nc(C)c(C(=O)N3CCc4[nH]c5ccccc5c4C3)s2)cc1 9902716 BGDVPNUALNIRMG-UHFFFAOYSA-N 403.507 4.807 0 40 HJAB biogenic O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccno1 10253890 QAIRYAOSDCTYOD-UHFFFAOYSA-N 405.635 4.574 0 40 HJAB Cc1c(C(=O)Nc2ccccc2)cnc2nc(SCc3cccc(Cl)c3)nn12 10338698 NNBKCXOIEMFMMP-UHFFFAOYSA-N 409.902 4.631 0 40 HJAB O=C(c1cc(Br)ccc1Cl)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10544482 IADYHOMYQCTRER-LBPRGKRZSA-N 418.722 4.999 0 40 HJAB Cc1ccc(-c2csc(NC(=O)C(=O)c3c(C)nn(-c4ccccc4)c3C)n2)s1 11516008 LVSWWRYAQDEUFZ-UHFFFAOYSA-N 422.535 4.804 0 40 HJAB O=C1[C@@H](CC[C@@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 11616666 OLNTVTPDXPETLC-YTFSRNRJSA-N 409.432 4.888 0 40 HJAB in-vitro COc1cc(C(=O)OCc2nccn2C(F)F)ccc1OCc1ccc(Cl)cc1 12629488 PFKHJIZRZMZKOS-UHFFFAOYSA-N 422.815 4.876 0 40 HJAB CCOc1ccc2oc(C(=O)OCC(=O)c3ccc(Br)cc3)c(C)c2c1 12634644 RPVHSQCZCZNSMZ-UHFFFAOYSA-N 417.255 4.942 0 40 HJAB CC[C@@H](Sc1nnc([C@@H](C)Oc2ccc(F)cc2)o1)C(=O)Nc1ccc(F)cc1 12851159 AQUUYFMLDXDEDK-SJKOYZFVSA-N 419.453 4.997 0 40 HJAB COc1ccc(C(=O)CCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1OC 12909991 JBNSIZAWNCVYNE-UHFFFAOYSA-N 410.495 4.737 0 40 HJAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(OC(F)F)cc1 12931227 CFSVPBGISHHZEZ-NRFANRHFSA-N 414.477 4.936 0 40 HJAB COc1ccc(-c2cc(NC(=O)Cc3cnn(-c4ccccc4)c3)ccc2OC)cc1 12984551 AONVYPBCMUVFJI-UHFFFAOYSA-N 413.477 4.738 0 40 HJAB C[C@H](CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 13071272 DDBDXLFHKOXHNX-CQSZACIVSA-N 411.855 4.596 0 40 HJAB O=C(Cc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1)NCc1cccs1 13716592 SNAWJHDQBALQDP-UHFFFAOYSA-N 402.878 4.652 0 40 HJAB COc1ccccc1C(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 13749265 XRDDAONTQCCDQE-UHFFFAOYSA-N 404.510 4.820 0 40 HJAB c1ccc(Cn2c3ccccc3c3nnc(SCn4nnc5ccccc54)nc32)cc1 13942903 HJLIPRMIQRRVEL-UHFFFAOYSA-N 423.505 4.522 0 40 HJAB Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCC[C@@H](C)C2)cc1 16689796 YVOANIYRTYKMGW-QAPCUYQASA-N 408.527 4.886 0 40 HJAB CN(Cc1ccc(Br)s1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 18107792 FPSBKIWRVARONQ-UHFFFAOYSA-N 402.741 4.980 0 40 HJAB CCc1cc(C(F)(F)F)c2c(C3CCN(Cc4cccc(C)n4)CC3)noc2n1 19522099 UBEVQAWNMPNGOI-UHFFFAOYSA-N 404.436 4.887 0 40 HJAB CCOc1ccc(Cl)cc1C(=O)Nc1cccc(I)c1 21028395 BLRJTDFCZNLYFB-UHFFFAOYSA-N 401.631 4.596 0 40 HJAB O=C(Nc1nc(-c2ccccc2)cs1)C1(S(=O)(=O)c2ccccc2)CCCC1 24950227 BRQABSDAPGUBNS-UHFFFAOYSA-N 412.536 4.535 0 40 HJAB CCSc1ncc(Br)c(C(=O)Nc2cccc(Cl)c2Cl)n1 27743121 GZFURQYTQLCAQZ-UHFFFAOYSA-N 407.120 4.910 0 40 HJAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 29797530 JICBWQAJHYDXPG-HNAYVOBHSA-N 401.890 4.632 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4cnccc4o3)ccc2Cl)c1 32102346 UMXVHCLTIZDVDG-UHFFFAOYSA-N 409.829 4.813 0 40 HJAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C(C)C)cc2)C12CCCC2 32104494 KTQMRMLIBGSZFG-QHCPKHFHSA-N 420.553 4.947 0 40 HJAB CC(=O)c1cc2c(cc1NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)OCO2 36112405 SUQDFMJPDMJCJR-HWKANZROSA-N 411.763 4.942 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)c3c(C)nn(C)c3n2)c1 36615848 OSINWVRZVJJDSA-UHFFFAOYSA-N 400.482 4.821 0 40 HJAB COc1ccc(C(=O)C2CCN([C@@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)cc1 40037394 YDMKMPJFQMBPQC-KRWDZBQOSA-N 405.498 4.710 0 40 HJAB CNC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1cccc(C(F)(F)F)c1 44087798 XHYSDIYQQJPUCF-UHFFFAOYSA-N 405.445 4.705 0 40 HJAB CCOC(=O)c1cc(NC(=O)C2CCN(Cc3ccccc3F)CC2)ccc1Cl 44939662 XTIXDBFFDKJWOV-UHFFFAOYSA-N 418.896 4.507 0 40 HJAB Cc1nc(C2(NC(=O)CSC3=Nc4ccccc4CS3)CCCCCC2)no1 53615306 WYZHIZSDFPTOJE-UHFFFAOYSA-N 416.572 4.711 0 40 HJAB CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)c1csc(-c3ccccc3)n1)C2 56907352 BSHKXFLKGGXXLY-UHFFFAOYSA-N 417.538 4.708 0 40 HJAB COc1ccc(CCNC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)cc1OC 58200817 SWXLLKOAXPBDLW-FTRDYKAISA-N 419.565 4.901 0 40 HJAB O=C(C1CC1)N1CCCCC[C@@H]1C1CCN(Cc2ccc(F)c3cccnc23)CC1 71890540 HWYNSYXOAAVZGU-HSZRJFAPSA-N 409.549 4.767 0 40 HJAB COc1ccc(CN2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 72330412 PAWMKIITWCDBRX-CVDCTZTESA-N 421.566 4.535 0 40 HJAB CCOC(=O)c1ccc2nc(-c3cccc(I)c3)sc2c1 73740433 UBCAKTFFARXXMJ-UHFFFAOYSA-N 409.248 4.745 0 40 HJAB Cc1ccc(-c2nc(C)c(C(=O)NCc3cccnc3-n3ccnc3C)s2)c(C)c1 95389760 URFGOTOLOXCPNC-UHFFFAOYSA-N 417.538 4.554 0 40 HJAB Oc1c(F)cc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc1F 97143561 FQDKOBYTQZQGME-UHFFFAOYSA-N 404.376 4.785 0 40 HJAB Cc1nnc(SCC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1 98086789 SZUGAMFPMJAZKC-UHFFFAOYSA-N 406.602 4.502 0 40 HJAB Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc(Cl)c4)[C@H]3C2=O)c1 102736839 GVADMOBWKCUKNK-BHIFYINESA-N 418.880 4.700 0 40 HJAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2=C(C)C)[C@@H]1C(=O)O 169619998 KMGHPDNJIREZLH-QISBLDNZSA-N 419.543 4.680 0 40 HJAB Cc1cc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1Br 222955108 CAMCRAVLRZWXLO-OAHLLOKOSA-N 402.332 4.893 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC 223636241 INKSGOJCLAHUDZ-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC(C)(C)CC(C)(C)C 224100631 BMMSTXYVGHOMKF-UHFFFAOYSA-N 408.608 4.504 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(CC)cc1 225384223 NQJSFIXECAOJCH-DEOSSOPVSA-N 424.585 4.524 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 225700598 MVXMWMCITFULIT-QFIPXVFZSA-N 412.599 4.809 0 40 HJAB O=C([C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)N1CCOc2ccccc21 225907199 PQQIIKJGSXGBEX-INIZCTEOSA-N 405.325 4.631 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 408548162 QAIFLWCGGIZWTC-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB COC(=O)c1ccccc1NC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn12 408675595 JJCQRYSDUPDGOI-UHFFFAOYSA-N 412.445 4.523 0 40 HJAB CC[C@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703983 HUJOLTKVIXYITP-QKKBWIMNSA-N 402.947 4.643 0 40 HJAB CCN1CCN(C(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)CC1 409312127 DAAIWSFOAYQUDT-LPRBYJFTSA-N 415.581 4.761 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)cc1C 409382890 XDLYZPJUCVJRAB-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CC(C)(C)c1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3cc[nH]n3)cs2)cc1 585273556 WQXHRZAUAHPDGU-IBGZPJMESA-N 409.559 4.753 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc1 691617 JJEBAMIPOAFZTF-UHFFFAOYSA-N 408.527 4.748 0 40 HJAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)N4CCCc5ccccc54)c23)C1 873240 UDWMUBMKTYWLDR-CQSZACIVSA-N 409.580 4.888 0 40 HJAB CC[C@@H](C)c1ccc(-c2csc(CN3C(=O)c4ccccc4S3(=O)=O)n2)cc1 2659309 GMACFUCKNYZHRT-CQSZACIVSA-N 412.536 4.668 0 40 HJAB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)NCc1ccco1 3240690 WFVKBVLFMFHHNG-UHFFFAOYSA-N 420.852 4.621 0 40 HJAB O=C(CSc1nc(-c2ccccc2Br)n[nH]1)c1ccc(Cl)s1 3428521 FDYUOXDUUNURGF-UHFFFAOYSA-N 414.737 4.924 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3592077 XGJPWPFJCBVZTB-UHFFFAOYSA-N 400.544 4.545 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@]12C 3850269 VKYNIUNDLMIOEQ-XQNYBMPNSA-N 402.575 4.983 0 40 HJAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N(C(C)C)C(C)C)c1 4187225 DUSQHWLAQZBHDN-UHFFFAOYSA-N 422.598 4.904 0 40 HJAB CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1 4487834 PTSZBEKZOPBPNL-UHFFFAOYSA-N 410.495 4.589 0 40 HJAB COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3cccc(C)c3)nc12 5142407 JMYYIKYFDSQQLR-UHFFFAOYSA-N 419.506 4.864 0 40 HJAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1ccc(F)cc1 5333274 VLSZUFLRAGDXRY-GFCCVEGCSA-N 400.454 4.678 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 5359306 RNJRHZHCYYOFHI-UONOGXRCSA-N 410.568 4.800 0 40 HJAB O=C1/C(=C/N[C@@H]2CCCc3ccccc32)c2ccccc2C(=O)N1Cc1ccccc1 6344368 RWXIOJWNXYQIPD-IMKZUMICSA-N 408.501 4.877 0 40 HJAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccccc32)c(C)c1 6732330 BVLYXJDNJCSZGV-MHZLTWQESA-N 413.517 4.928 0 40 HJAB Cc1ccc(-c2nnc(OCC(=O)NCCC3=CCCCC3)c3ccccc23)cc1 7158789 IUVSOLCRIKUJMW-UHFFFAOYSA-N 401.510 4.991 0 40 HJAB CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(Br)c(OC)c(OCC)c1 7886649 UDXZHZPNACLMGT-IBGZPJMESA-N 419.319 4.833 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)cc1 8287472 UTHYUSUGLUXTEJ-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1ccc(-n2c(SCc3nccn3C)nc3sc4c(c3c2=O)CCCC4)cc1 8719726 LTCQZKGYPODEFM-UHFFFAOYSA-N 422.579 4.660 0 40 HJAB COc1ccc([C@@H]2CCCCCN2Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 8879941 WLEQXMRNLFYWNA-FQEVSTJZSA-N 423.513 4.880 0 40 HJAB O=C(Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12)c1ccc(F)c(F)c1 9108125 RBEMQQDDNKSNNG-UHFFFAOYSA-N 411.339 4.750 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)NCCOc2ccc3ccccc3c2)no1 9609244 VYYOYTYGNOPNBS-UHFFFAOYSA-N 419.506 4.632 0 40 HJAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(F)c(F)c3)cs2)cc1 9625357 YSOITXLDBVTKBI-UHFFFAOYSA-N 402.426 4.555 0 40 HJAB O=C(NCCSc1ncc(-c2ccc(F)cc2)[nH]1)c1cccc(Br)c1 9713809 OJDWYUGJYJIKHL-UHFFFAOYSA-N 420.307 4.500 0 40 HJAB COc1ccc(OC)c(-n2c(-c3ccccc3)cnc2Nc2nc(C)cc(C)n2)c1 10381854 IXDFXJLBKVHNKT-UHFFFAOYSA-N 401.470 4.707 0 40 HJAB O=C(CSc1nnc(COc2ccccc2)o1)Nc1ccc(Cl)cc1Cl 12249355 FJAQKOCXEWDGCF-UHFFFAOYSA-N 410.282 4.686 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccnc2)N1Cc1ccccc1 12528124 VRIQXSITVQIFAA-FQEVSTJZSA-N 402.837 4.587 0 40 HJAB CN1C(=O)[C@@]2(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c2ccccc21 13809994 YBNVITVFXHUKTR-QPPBQGQZSA-N 415.880 4.713 0 40 HJAB CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@@H]3c3cccs3)cc2c1C 15836333 CFINFMXFGKWTIR-MRXNPFEDSA-N 419.524 4.505 0 40 HJAB CCCCn1nc(NS(=O)(=O)c2ccc(OC)cc2)c2cc3cccc(C)c3nc21 16956987 BXANWYCYHMQGJE-UHFFFAOYSA-N 424.526 4.502 0 40 HJAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccccc2I)cc1 17092097 QYDHVHBSEHIZJJ-AWEZNQCLSA-N 420.294 4.922 0 40 HJAB CC(C)(C)c1csc(CCNC(=O)C2(c3ccc(Cl)cc3)CCOCC2)n1 19660690 QFYMUXZBBWGJPF-UHFFFAOYSA-N 406.979 4.501 0 40 HJAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2F)N2CCOCC2)c1C 19879505 LZWMNJOGKGXSIA-FQEVSTJZSA-N 414.502 4.771 0 40 HJAB Cc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 19946990 VBAVXLRUSQKGHK-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB O=C(NC1CCCC1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20719842 BOSSERKFFLBDSO-HSZRJFAPSA-N 402.538 4.798 0 40 HJAB Cc1cc(NC(=O)c2ccccc2SC[C@@H]2CCCO2)ccc1N1CCCC1=O 21597915 SVRVIHHAAQTHNM-SFHVURJKSA-N 410.539 4.645 0 40 HJAB CC(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccc(Cl)cc2)N2CCOCC2)cc1 28291000 XHCSZVXDAPNWSG-NCMXAVOXSA-N 412.961 4.666 0 40 HJAB O=C(CSCCOc1ccc(Cl)cc1)Nc1ccccc1Br 31729729 XTODTQFWNKQPOX-UHFFFAOYSA-N 400.725 4.853 0 40 HJAB NC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1 32937309 XLSRJQXUEXZCSU-UHFFFAOYSA-N 416.300 4.921 0 40 HJAB CCOc1ccc(-c2nc(-c3ccccc3OCC(=O)N3CCCCCC3)no2)cc1 40488375 WZOUVSVMCHGGHW-UHFFFAOYSA-N 421.497 4.584 0 40 HJAB NC(=O)CSc1ncc(-c2ccc(Br)cc2)n1-c1cccc(Cl)c1 44087428 OSOWHYTURNNVDT-UHFFFAOYSA-N 422.735 4.533 0 40 HJAB Cc1nc(-c2ccccc2)c(NC(=O)COc2ccc(Br)cc2)s1 58440272 VOGVQPNHGBTGFT-UHFFFAOYSA-N 403.301 4.899 0 40 HJAB Cc1cc(SCC(=O)N[C@H](C)CCc2ccccc2)nc(-c2ccc(F)cc2)n1 67257208 OQSHMFOAUAGWTK-MRXNPFEDSA-N 409.530 4.821 0 40 HJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cc(F)ccc3C)oc12 67299105 ARSITWRRKDQBKZ-RWEWTDSWSA-N 406.413 4.644 0 40 HJAB CC[C@@H](C)n1c(SCC(=O)Nc2cccc(Cl)c2)nc2ccsc2c1=O 67335103 QLGFNSHHJIPLBE-LLVKDONJSA-N 407.948 4.813 0 40 HJAB COc1cc(OC)c([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)c(OC)c1 71288731 AOSCKWGKIRRVBL-SFHVURJKSA-N 403.504 4.616 0 40 HJAB COc1cccc(OC)c1CN1CCC[C@@H]1c1cccc(Nc2ncccc2C)n1 72375504 RJBTVLTXBSWKSL-HXUWFJFHSA-N 404.514 4.883 0 40 HJAB C[C@H](c1ccccc1)N1C[C@@H](c2nc(-c3cccc(Br)c3)no2)CC1=O 101109155 ZPKCFCDJZONGAM-CJNGLKHVSA-N 412.287 4.576 0 40 HJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219035681 BJZWLRNGSUEYDR-OAHLLOKOSA-N 421.884 4.969 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C 222545686 WVCRLPXSFIFWML-GBXCKJPGSA-N 424.585 4.577 0 40 HJAB Cc1ccc(OCCCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 222734203 ZAOYWIPOORNAOK-OAQYLSRUSA-N 424.585 4.794 0 40 HJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 222986192 KDMIUTSKPYYAAX-QFIPXVFZSA-N 400.950 4.771 0 40 HJAB Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1C 223506470 NASKVSWENMZJDZ-INIZCTEOSA-N 418.584 4.609 0 40 HJAB CCCC[C@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 223930187 YIQQWKPPKHCZJY-SFHVURJKSA-N 402.560 4.742 0 40 HJAB Cc1nc(NC(=S)NCCCc2ccc(F)cc2)c(Br)cc1Cl 223965598 IFQRWJZDFCIBCF-UHFFFAOYSA-N 416.747 4.864 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCCC1 224703429 USEAORLLVYCEPK-IBGZPJMESA-N 410.533 4.543 0 40 HJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)s2)c(OC)c1 224794737 QEWRLNWFGXJSLH-VQTJNVASSA-N 411.552 4.646 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 224813610 PROOAPDNHZONMS-QGZVFWFLSA-N 418.990 4.517 0 40 HJAB Cc1ccc(CN(c2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(N)cc2)cc1 225312741 HEOSYIKPAJOWKR-UHFFFAOYSA-N 420.456 4.992 0 40 HJAB CC[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 225361960 KMYFEUHGGLRQKF-GOSISDBHSA-N 414.354 4.597 0 40 HJAB O=C1CC2(CCN(C(=O)Nc3ccccc3)CC2)Oc2cc(C(F)(F)F)ccc21 225822448 JFULIQUNKKSFMF-UHFFFAOYSA-N 404.388 4.737 0 40 HJAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 225967849 VLJPVMJJIHTYBE-UHFFFAOYSA-N 410.495 4.517 0 40 HJAB Cc1c(Br)ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)c1C 227626354 QFCWVRAAUSWKHF-YVXJGENVSA-N 424.338 4.995 0 40 HJAB CCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccc(F)cc1 408561760 KZQTXIXQYSKRPZ-GYHWCHFESA-N 414.502 4.696 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1C 409008201 WJPHYRCKXKMSAX-UHFFFAOYSA-N 423.538 4.875 0 40 HJAB O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1ccc(F)c(Cl)c1 409224692 LIRHKOMRPZCVNQ-AQHRCUNFSA-N 416.861 4.710 0 40 HJAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 409236062 RLMZDROCQQKICR-OEAKJJBVSA-N 416.452 4.806 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 409411021 SKBROFHBXSOWTG-UHFFFAOYSA-N 408.523 4.865 0 40 HJAB O=C(NC1CCCCC1)[C@H](c1ccccc1F)N(C(=O)Cc1cccs1)C1CC1 1336069 ZFXWLBRHPLWUHK-QFIPXVFZSA-N 414.546 4.611 0 40 HJAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2C)cc1 1458675 DFZRFMBKFIJETN-UHFFFAOYSA-N 415.445 4.998 0 40 HJAB C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)c2C(N)=O)C1 1940134 VZRYSKOMNXQYKL-QBBOHKLWSA-N 409.338 4.931 0 40 HJAB O=C(N[C@H](Nc1nc2ccccc2s1)C(Cl)(Cl)Cl)c1cccs1 2374343 WUONLEDDHHKSHC-GFCCVEGCSA-N 406.747 4.896 0 40 HJAB COc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3ccccc3c2=O)cc1OC 2691639 BORQASJQKNJWRE-UHFFFAOYSA-N 413.473 4.606 0 40 HJAB Cc1ccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)c(Br)c1 2725268 YDISGEMBYDYIFD-UHFFFAOYSA-N 417.181 4.567 0 40 HJAB CCN(CC)C(=O)c1sc(NC(=O)c2cccc(C)c2)c(C(=O)OC(C)C)c1C 2742319 TXDLJUMRSIHUHF-UHFFFAOYSA-N 416.543 4.664 0 40 HJAB CCOc1ccc2oc(C(=O)OCC(=O)N(Cc3ccccc3)C(C)C)c(C)c2c1 3412637 CJZZVWVEVIAZTA-UHFFFAOYSA-N 409.482 4.734 0 40 HJAB COCCNc1nnc(S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)s1 5078487 QPGBVDPRIGLWBY-LJQANCHMSA-N 413.568 4.930 0 40 HJAB Cc1ccc(C)c(Cn2c(CCCNC(=O)Cc3ccccc3)nc3ccccc32)c1 5545934 AVWIXKNPJPJDDL-UHFFFAOYSA-N 411.549 4.993 0 40 HJAB COc1cc(/C=C/c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OC(F)F 5827491 NKVNYBUSSGACPT-VQHVLOKHSA-N 404.438 4.644 0 40 HJAB CC(=O)c1ccc(O[C@@H](C)C(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)cc1 6578557 RMJPBKBWSPLBAK-HIFRSBDPSA-N 416.930 4.834 0 40 HJAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(N2CCCCCC2)cc1 8746021 LPWKZJZZBAPNKV-UHFFFAOYSA-N 422.525 4.830 0 40 HJAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc21 8840729 RYQHPJFCJJTXJN-UHFFFAOYSA-N 414.571 4.800 0 40 HJAB COc1ccc(Cn2ccnc2SCC(=O)Nc2nc3ccc(C)cc3s2)cc1 9517415 HYNHPYOODOPHFP-UHFFFAOYSA-N 424.551 4.589 0 40 HJAB COc1ccc(C)cc1Nc1nc2ccc(C(=O)c3ccccc3)cc2n2c(C)nnc12 9561361 UXNAGWBVDFKXJX-UHFFFAOYSA-N 423.476 4.878 0 40 HJAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 9576309 INQAPKLRYDBFJZ-KRWDZBQOSA-N 409.917 4.631 0 40 HJAB Cn1nc(-c2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)ccc1=O 10325076 RGRAKBBXVGFYSV-UHFFFAOYSA-N 409.489 4.608 0 40 HJAB CN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21 10971941 RUXDMIVMTKPILA-UHFFFAOYSA-N 414.505 4.916 0 40 HJAB CCOc1cc(Nc2ccc(NC(=O)Nc3cc(C)ccc3OC)cc2)nc(C)n1 11613275 BGIWXTOENWSBOP-UHFFFAOYSA-N 407.474 4.888 0 40 HJAB CC(C)(C)c1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 12293568 JDWBHSUFEBWAMY-VXKWHMMOSA-N 413.533 4.507 0 40 HJAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1 12557797 VDCIHUIOXUPDKM-UHFFFAOYSA-N 412.493 4.760 0 40 HJAB Cc1cc(C)c(C)c(S[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1C 12593578 CXSQCHYGHQOUSV-CQSZACIVSA-N 424.488 4.573 0 40 HJAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(Cl)cc1Cl 12863658 ZVKRYJDQGGZGLB-UHFFFAOYSA-N 422.337 4.672 0 40 HJAB COc1cc(CCC(=O)Nc2ccc3oc(C(=O)c4ccccc4)c(C)c3c2)on1 13721855 SQQHNZHMXGWDQN-UHFFFAOYSA-N 404.422 4.540 0 40 HJAB biogenic Cc1ccc(Oc2ccccc2NC(=O)Cc2csc(N3CCCC3=O)n2)cc1 14893407 ODSAPQPIXAAPCA-UHFFFAOYSA-N 407.495 4.552 0 40 HJAB CCOC(=O)c1cc(OCC(=O)Nc2ccc(CC)cc2)c2cc(Cl)ccc2n1 15829019 IZTNGTJQNIEIJW-UHFFFAOYSA-N 412.873 4.645 0 40 HJAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)ccc1F 17011184 OPSXHVZDYLWXRR-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB O=C(NCc1cccc(Cl)c1)C1CCN(C(=O)c2cccc3ccccc23)CC1 17117722 ALTJIYOPXFIKHM-UHFFFAOYSA-N 406.913 4.662 0 40 HJAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1cccc(CN2CCCC2)c1 19368456 LMMTWOCWLKMWEA-UHFFFAOYSA-N 410.905 4.557 0 40 HJAB COc1ccc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c(C)c1C 19577306 DVERTLDTQPTTPZ-XMMPIXPASA-N 423.601 4.823 0 40 HJAB CCc1cccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 19679405 VNNDFYIACGRVAX-UHFFFAOYSA-N 415.331 4.502 0 40 HJAB O=C(Nc1cccc(F)c1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20106089 DXJKPMWRLAYNAP-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB CC(C)C[C@@H](NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccccc1 20462415 JVFOCLQJEWVNMJ-JOCHJYFZSA-N 424.566 4.509 0 40 HJAB Cc1nn(C)c2sc(C(=O)Nc3ccnn3Cc3ccc(C(C)(C)C)cc3)cc12 21467524 BKKFZQPAYKINIT-UHFFFAOYSA-N 407.543 4.738 0 40 HJAB CCCN(CC(=O)N[C@H](C)c1cc2ccccc2o1)Cc1nnc(-c2cccs2)o1 21582634 VHHPAMAYJRZALY-OAHLLOKOSA-N 424.526 4.634 0 40 HJAB COc1ccc(CCNc2cc(C)nc3c(-c4ccc(F)cc4)cnn23)cc1OC 21799016 JJJOKNIGXHDIEJ-UHFFFAOYSA-N 406.461 4.516 0 40 HJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 22526362 ODQXKGLMLDEWPZ-KRWDZBQOSA-N 401.528 4.826 0 40 HJAB Fc1cccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N3CCCC3)n2)c1 27643136 JENUIAPWXQAUHU-UHFFFAOYSA-N 402.836 4.891 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2nc(-c3ccccc3Cl)no2)C(C)C)cc1 28218381 DYMFYRMMQMEWMJ-INIZCTEOSA-N 413.905 4.903 0 40 HJAB FC(F)(F)c1ccnc(Sc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n1 29441240 BMMZFNUFMGXSKE-AWEZNQCLSA-N 406.433 4.689 0 40 HJAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1csc(COc2ccc(F)cc2)n1 32797303 PAHXTRRHRMARAH-INIZCTEOSA-N 423.517 4.635 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)N1CC=C(c2ccccc2)CC1 32902325 GMIHMKGILTYZOW-UHFFFAOYSA-N 405.523 4.908 0 40 HJAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1cccnc1)CN(Cc1ccccc1)C2 33499235 UZCQOCWBTQRGRD-MOSHPQCFSA-N 407.473 4.884 0 40 HJAB C[C@]1(C2CCCCC2)NC(=O)N(CN2CCc3sccc3[C@H]2c2ccccc2)C1=O 36392193 WZOZTIZXYCRVAW-ZJSXRUAMSA-N 423.582 4.544 0 40 HJAB COCc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1-c1ccc(Cl)cc1 36636044 DSKUCKZCDZSJQC-UHFFFAOYSA-N 411.676 4.626 0 40 HJAB CN(C)c1nc2ccccc2cc1CN(CCCn1ccnc1)Cc1ccccc1F 36740374 KHUPFEZBUOZCNP-UHFFFAOYSA-N 417.532 4.729 0 40 HJAB O=C(c1ccco1)N1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1 38534020 IEICJFYJYAUYBF-UHFFFAOYSA-N 415.493 4.761 0 40 HJAB O=C(Nc1cccc(Br)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38833927 VVWHURCOZMWHEK-HNNXBMFYSA-N 407.739 4.953 0 40 HJAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 38855168 WVBDWYJDVXQJES-LJQANCHMSA-N 407.558 4.557 0 40 HJAB Cc1cc(NC(=O)C2CCN(Cc3ccccc3C)CC2)ccc1Br 39768399 RVAXHHFONAHJGL-UHFFFAOYSA-N 401.348 4.917 0 40 HJAB O=C(NCCCc1ccc(Cl)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 39772476 XBNSPKLPCCXPJY-UHFFFAOYSA-N 405.369 4.954 0 40 HJAB Cc1nc(-c2ccc(CNC(=O)c3cccc(Nc4ncccn4)c3)cc2)cs1 40060177 MQLPWGUBSAAUCT-UHFFFAOYSA-N 401.495 4.582 0 40 HJAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Br)cc2)no1 45851687 FQVMDYNBUAMZIK-UHFFFAOYSA-N 404.289 4.685 0 40 HJAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@H]2C(=O)Nc1cccc(SC)c1 49549250 KUCPNXWCQSBDNW-SFHVURJKSA-N 422.510 4.590 0 40 HJAB O=C(Nc1n[nH]c2cccc(F)c12)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 58026423 RFPAASNLXDSMCB-UHFFFAOYSA-N 423.757 4.812 0 40 HJAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 59133060 TUZWFYLDGSCETR-QFIPXVFZSA-N 424.522 4.592 0 40 HJAB CC(=O)Nc1ccc(CN2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)cc1 72376050 RGOGEKNNPFBWHA-NRFANRHFSA-N 415.541 4.867 0 40 HJAB CCOC(=O)c1cn(Cc2cc(F)cc(F)c2)c2ccc(C(F)(F)F)cc2c1=O 199729469 YNVVBAPBHUUVKC-UHFFFAOYSA-N 411.326 4.524 0 40 HJAB CCOc1cccc(CNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 216393961 YXDJINAZTDFFIO-UHFFFAOYSA-N 420.347 4.841 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 222487415 STAGCSSXOXKVCK-NRFANRHFSA-N 400.950 4.523 0 40 HJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 222576439 UXSZOFVTKLRJTF-KRWDZBQOSA-N 400.950 4.559 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 222623613 WEEXQZLIKPUSHI-PGRDOPGGSA-N 414.977 4.647 0 40 HJAB COCc1nn2c(ncc3c(=O)n([C@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccccc1 223060803 ZJSVXTXKCIZWFG-WWMYMODYSA-N 416.525 4.855 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2C)cc1 224010024 XRZRXSSZRCHBKO-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CC(C)(C)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 224081219 TXJNEFOAGYNYPR-UHFFFAOYSA-N 422.550 4.715 0 40 HJAB CCCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224963274 VOZLBZCKCQZQGM-QHCPKHFHSA-N 410.533 4.625 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 225212689 WVHBKTWYSXBMDR-XMMPIXPASA-N 424.560 4.933 0 40 HJAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)NCCSC1CCOCC1 225679866 RZSHYJNJIFJLSQ-UHFFFAOYSA-N 403.519 4.579 0 40 HJAB CC(C)(C)C(=O)N[C@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)[C@@H]2CC=CCC2)CC1 257343526 ZTIVXWUJYHWWEH-MKXGPGLRSA-N 417.619 4.625 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1 408738954 XIBKPBYVWINKOV-RXVVDRJESA-N 412.530 4.741 0 40 HJAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C(F)(F)F 800077 HNXLOZMUQOTMSI-SFHVURJKSA-N 424.488 4.829 0 40 HJAB CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 828449 BZSBXEQRNUNJJL-HSZRJFAPSA-N 422.525 4.873 0 40 HJAB O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1cccs1 917917 CGLWSFSZUQXNLM-UHFFFAOYSA-N 413.446 4.616 0 40 HJAB CCOc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2CCc1ccccc1 1368992 RSRWANORXWLERH-VXKWHMMOSA-N 407.558 4.835 0 40 HJAB O=C(c1ccc(Cl)cc1)c1nn(-c2ccc(Cl)cc2)c(=O)cc1C(F)(F)F 1389632 VYZUSFTVCMAOET-UHFFFAOYSA-N 413.182 4.789 0 40 HJAB CCOC(=O)c1c(C)oc2ccc(N(CC(C)C)S(=O)(=O)c3ccccc3)cc12 1477124 RDYAZDABCMQXQG-UHFFFAOYSA-N 415.511 4.769 0 40 HJAB CCN(CC)CCOC(=O)Cc1cccc2c(=O)cc(-c3ccc(Cl)cc3)oc12 1584261 CAEJDQUPSRTFRW-UHFFFAOYSA-N 413.901 4.541 0 40 HJAB CCOC(=O)c1oc2cc(OC(C)=O)c(CC)cc2c(=O)c1-c1cc2ccccc2o1 2124495 LTBIQQUJTHTRBD-UHFFFAOYSA-N 420.417 4.871 0 40 HJAB biogenic CCCCCCn1c(N)c(C(=O)NCc2ccccc2)c2nc3ccccc3nc21 2299392 MFCJKHAHLULVLI-UHFFFAOYSA-N 401.514 4.677 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(Oc2ccccc2)c1 3302089 UGFPHQMBLQFTHY-UHFFFAOYSA-N 422.506 4.516 0 40 HJAB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)sc2C)cc1 3354893 LFTKAOHCBOGHIR-UHFFFAOYSA-N 410.447 4.501 0 40 HJAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc2ncsc2c1 3430643 FHPBZTSECCNRPN-UHFFFAOYSA-N 402.501 4.832 0 40 HJAB aggregator COc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O)cc(OC)c1OC 3885044 QCQQUVYMWQPHRO-RVDMUPIBSA-N 405.450 4.836 0 40 HJAB CCc1cccc(C)c1NC(=O)COC(=O)COc1ccc(Nc2ccccc2)cc1 4246687 DHDKKBQDICZEHN-UHFFFAOYSA-N 418.493 4.862 0 40 HJAB O=S(=O)(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccc2ccccc2c1 4249114 FNJJTCCXWAOYOU-UHFFFAOYSA-N 407.520 4.610 0 40 HJAB O=C(NC1CCCCC1)C(=Cc1ccc(OC(F)F)cc1)C(=O)NC1CCCCC1 5446543 BAGOLZRSVPGNPY-UHFFFAOYSA-N 420.500 4.569 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 5579268 JMKUKWQBMYRYRU-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1cccc(OC[C@@H](O)Cn2c(COc3ccccc3C)nc3ccccc32)c1 5589722 WAFKKTLLKLSIOE-FQEVSTJZSA-N 402.494 4.672 0 40 HJAB Cc1noc(C)c1COc1ccc(CC(=O)OCc2nc3ccccc3s2)cc1 5678541 BKUPRJRVILVYOF-UHFFFAOYSA-N 408.479 4.766 0 40 HJAB CCC(=O)c1cc(Br)ccc1OCC(=O)N[C@H](C)CCc1ccccc1 6085354 XQVVRHRFBXOJSB-OAHLLOKOSA-N 418.331 4.558 0 40 HJAB CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)CCSc2ccc(F)cc2)cc1 6432002 DNTTXHUUCZFSFE-UHFFFAOYSA-N 417.502 4.719 0 40 HJAB O=C(NCc1cccs1)c1cn2c3c(cccc3/c1=N\Cc1cccs1)CCC2 6829268 IWKYGGNRFKBATK-DARPEHSRSA-N 419.575 4.741 0 40 HJAB CSc1cccc(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)c1 7615951 STDPECUITPHQPH-UHFFFAOYSA-N 415.518 4.905 0 40 HJAB CCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 8187916 DRHFTWNJKRMJRX-UHFFFAOYSA-N 419.319 4.628 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3ccc(OC(F)(F)F)cc3)n2)cc1OC 8750785 GXUCCDCVQLITPB-UHFFFAOYSA-N 424.400 4.978 0 40 HJAB COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)cc1 9135122 RXBZHVASVINWSX-UHFFFAOYSA-N 408.841 4.888 0 40 HJAB Cn1c(SCc2cc3ccccc3nc2Cl)nnc1[C@@H]1COc2ccccc2O1 9254358 CIXDMVHUUHXJIX-SFHVURJKSA-N 424.913 4.822 0 40 HJAB C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 9402840 HOCJPJCXPRVOAR-QMMMGPOBSA-N 416.644 4.560 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccccc4F)cc(=O)c3c2)c1 9660200 GRNCGXLFAWAUKY-UHFFFAOYSA-N 419.408 4.869 0 40 HJAB biogenic Cc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 10112391 UWFLWQYJKDPHGJ-UHFFFAOYSA-N 422.550 4.651 0 40 HJAB C[C@H](Sc1nnc(COc2ccc(F)cc2)o1)C(=O)Nc1ccc(Cl)cc1 11195433 PNPBLORWJOSKIC-NSHDSACASA-N 407.854 4.560 0 40 HJAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCCOc1ccccc1 11667368 DJTLNCYFKHXZCR-GOSISDBHSA-N 403.482 4.980 0 40 HJAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)CCc2ccc(Cl)cc2)C1 12238427 MBMNKACGVOVKMR-HXUWFJFHSA-N 420.944 4.955 0 40 HJAB O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccccc2F)C1)C1CCCC1 12408180 XNKYNBCQZVBIDK-UYAOXDASSA-N 401.551 4.542 0 40 HJAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)CCc3ccccc3)cc2)n1 13228145 IVSBSZBYMFELQI-UHFFFAOYSA-N 408.505 4.763 0 40 HJAB COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1 15832706 NZWKUSZCGDUOBI-CQSZACIVSA-N 416.930 4.864 0 40 HJAB Cc1ccc(OCc2nc3ccccc3n2C[C@H](O)COc2cccc(C)c2C)cc1 15860765 FAARKZJMZPEAIJ-NRFANRHFSA-N 416.521 4.980 0 40 HJAB CCCC(=O)N1CCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19501330 LSYMEADEACKFEA-HXUWFJFHSA-N 405.477 4.885 0 40 HJAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 20459629 MEARPFZMPGNSJT-HNNXBMFYSA-N 414.914 4.632 0 40 HJAB Cc1ccc(-c2noc(-c3nnn(-c4ccc(C(F)(F)F)c(Cl)c4)c3N)n2)cc1 20530573 VYZTYKQADRMTAA-UHFFFAOYSA-N 420.782 4.547 0 40 HJAB O=C(Cn1cccc(C(F)(F)F)c1=O)Oc1ccc(-c2ccccc2)cc1Cl 24906985 IIWOQILZNNXBMG-UHFFFAOYSA-N 407.775 4.793 0 40 HJAB Cc1c(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)oc2ccc(Br)cc12 27590789 LQLGMZDDBSMLCL-QGZVFWFLSA-N 419.294 4.676 0 40 HJAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCc3ccccc32)c1 32759134 QCUBPMSFYCKYDG-HSZRJFAPSA-N 420.534 4.570 0 40 HJAB Cc1cc(N2CCN([C@@H](C)c3nc4ccccc4n3C(F)F)CC2)nc(C(C)C)n1 32879218 GFURJQCTYZEIKB-INIZCTEOSA-N 414.504 4.536 0 40 HJAB O=C(Nc1ccc(OC(F)F)cc1)[C@H]1CCCN(c2nc3ccccc3s2)C1 32932067 QVQAPAKQBFQGDC-ZDUSSCGKSA-N 403.454 4.753 0 40 HJAB CCOc1ccc2nc(C(=O)OC)cc(Nc3ccc(Br)cc3)c2c1 38487348 USJLFZOJYBIXRV-UHFFFAOYSA-N 401.260 4.926 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCC[C@H]1c1ccccc1 43341307 QDJPTOYKVLIOJA-IBGZPJMESA-N 419.447 4.911 0 40 HJAB O=C(CNC(=O)Nc1ccccc1OC(F)(F)F)Nc1cc(Cl)ccc1Cl 58344895 DTRHCLWRUPJGJG-UHFFFAOYSA-N 422.190 4.652 0 40 HJAB O=C(Nc1ccsc1C(=O)N[C@@H]1CCSc2c(F)cccc21)c1ccncc1 63693492 YCHDSDVGCOSKNV-OAHLLOKOSA-N 413.499 4.501 0 40 HJAB C[C@@H](NC(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C12CCC(CC1)CC2 67319207 SWPQZQRWCXFGOP-VLNJMECTSA-N 410.558 4.708 0 40 HJAB CC1=C[C@@H](CN2C(=O)C(C)=C(C)C2=O)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 72320785 QXDAJNBWHMTVKT-UFYCRDLUSA-N 405.542 4.665 0 40 HJAB biogenic,in-vitro O=C(CCC1CCCC1)N1CCC[C@@H](c2nnc(-c3nccc4ccccc34)o2)C1 72390119 FADUKSUBZZZCFG-LJQANCHMSA-N 404.514 4.961 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)Cc3cccc(F)c3)CC2)on1 100743633 ABEBSJCYPWZYKC-IZAXUBKRSA-N 422.504 4.520 0 40 HJAB C[C@]1(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccccc4)o3)cc2)C[C@H]2C=C[C@H]1C2 108562801 VLELXPRFXRPXBK-RGUAHJAXSA-N 414.465 4.530 0 40 HJAB C[C@@H](CC(=O)Nc1ccc(OCc2ccccc2)cc1)CC(=O)Nc1ccccn1 199430113 OHOYEMYVEJHGHH-SFHVURJKSA-N 403.482 4.654 0 40 HJAB C[C@H](NS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)c1ccccc1)c1ccccc1 217477762 VKIXHDNJTZEGLQ-SJORKVTESA-N 424.522 4.597 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 223733667 GYTNMZNGAFEUBI-XMMPIXPASA-N 408.586 4.878 0 40 HJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)s1 225034036 OLRZUWIOKAEKNO-SFTDATJTSA-N 408.596 4.926 0 40 HJAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 225036144 GQLFFAPWKSMQEU-GOTSBHOMSA-N 419.598 4.939 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 225051067 IUXAELSAQHKPDV-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB CCOc1ccc(CNC(=O)c2cc(Br)ccc2Cl)cc1OCC 225072193 ZMEHQCHMEXAPBQ-UHFFFAOYSA-N 412.711 4.830 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSc1ccc(C)cc1 225168846 WAVLUFJJBXGYJC-SFHVURJKSA-N 416.562 4.560 0 40 HJAB COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 225270349 MGMWMHODTDUAEH-UHFFFAOYSA-N 413.886 4.693 0 40 HJAB Cc1cc(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)ccc1F 225602570 DADRYUSQPRSWFH-UHFFFAOYSA-N 408.347 4.653 0 40 HJAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2)ccc1OCC 408587297 SZFVKUGINDOFJT-UHFFFAOYSA-N 406.504 4.578 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Cl)cc1 408664062 JADPKXCHRNEPRF-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C)c(Cl)c3)C(=O)[C@H]2C1 408687683 VGQDXOCMRYJHIH-AEFFLSMTSA-N 408.885 4.746 0 40 HJAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1F 409000808 YKSXYIIANZIUQK-QHCPKHFHSA-N 404.485 4.737 0 40 HJAB COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(C)c3ccccc3)[C@H]2C1=O 409368259 VZVSHZDOUQOCML-PEYKTXOXSA-N 405.881 4.744 0 40 HJAB O=C(N[C@@H](Nc1ccccc1C(F)(F)F)C(Cl)(Cl)Cl)c1ccco1 726087 HVGYSEPCRFXXGF-GFCCVEGCSA-N 401.599 4.837 0 40 HJAB CCN(CC)CCn1c2ccccc2n2c(C(C)=O)c(-c3ccc(OC)cc3)nc12 727377 KAQXCOZWSDBMFW-UHFFFAOYSA-N 404.514 4.509 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nnc2c(C)cc3ccc(C)cc3n12 903080 VRUNUKVETBFMHN-UHFFFAOYSA-N 406.511 4.629 0 40 HJAB CCc1ccc(CN(Cc2ccco2)C(=O)c2cc3cccc(OC)c3oc2=O)cc1 1342114 ZJJFJZDVVFSRTC-UHFFFAOYSA-N 417.461 4.800 0 40 HJAB COc1ccc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)cc1OC 2233938 XNDCEGDSHSQRKI-UHFFFAOYSA-N 400.413 4.792 0 40 HJAB CCCCOc1nc2ccccc2nc1NS(=O)(=O)c1ccc2ccccc2c1 3289853 SYPULJOAZXAZBW-UHFFFAOYSA-N 407.495 4.763 0 40 HJAB C[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1 3303661 DTWNFGWWNHFCKL-INIZCTEOSA-N 400.434 4.529 0 40 HJAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 3340150 PXNQEMAREJVWKE-UHFFFAOYSA-N 422.953 4.582 0 40 HJAB Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ncc(-c2ccccc2)o1 3447624 AHTSXPJTVBZNTR-UHFFFAOYSA-N 412.902 4.995 0 40 HJAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc23)ccc1Cl 3549104 SKXDASDMUALDHK-UHFFFAOYSA-N 416.930 4.776 0 40 HJAB Cc1ccc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)CSC3)c(C)c1 4087565 IGYPQPMLCYNCQO-UHFFFAOYSA-N 417.490 4.595 0 40 HJAB CN(C)CCN(C(=O)c1nc2ccccc2s1)c1nc2c(Cl)cccc2s1 4359312 GWJRAWAPCMNMJA-UHFFFAOYSA-N 416.959 4.768 0 40 HJAB CC(=O)Nc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@H]2c2cccs2)cc1 4543748 ULQBFWAFHAYSPN-QFIPXVFZSA-N 404.495 4.634 0 40 HJAB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccnc3)n2C)cc1 4648720 OVLBTGUAOZFEFE-BZZOAKBMSA-N 401.491 4.565 0 40 HJAB CC1CCN(C(=O)CSc2nc(COc3ccccc3)nc3ccccc23)CC1 4936855 YMPRZCKZRLMYJY-UHFFFAOYSA-N 407.539 4.559 0 40 HJAB Cc1nn(-c2ccccc2)c2ncc(C(=O)NCc3ccc(Cl)cc3)c(Cl)c12 4941143 OAXRDZDMMCKPPD-UHFFFAOYSA-N 411.292 4.966 0 40 HJAB Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)COc1ccccc1F 5136943 UZIZDVNACAKYAB-UHFFFAOYSA-N 404.894 4.649 0 40 HJAB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2cccc(O)c2)c1 5349116 GRGDGINFHKTMKW-JOCHJYFZSA-N 412.445 4.569 0 40 HJAB COc1ccc(OCc2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cc1 5556618 HSPVFWWSSPZDNJ-UHFFFAOYSA-N 407.282 4.747 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1ccccc1 5624202 QCYKXEVMKFRIDR-UHFFFAOYSA-N 404.470 4.804 0 40 HJAB CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1cccc(Cl)c1 6808699 TVIRIEVNOHLEOG-UHFFFAOYSA-N 409.917 4.516 0 40 HJAB Cc1nc(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)n(C2CCCCC2)c1C 6973360 IBYGIYVCPWKRMQ-INIZCTEOSA-N 415.559 4.531 0 40 HJAB Cc1cc(C)c(NC(=O)[C@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 7266726 IYQIVYMBPWUHMJ-HNNXBMFYSA-N 422.356 4.816 0 40 HJAB COc1ccc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 7278972 RYURFDCKDBMDKY-UHFFFAOYSA-N 400.525 4.867 0 40 HJAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cccc(NC(=O)c2cccs2)c1 8131975 SPIKPUGAKVMBFL-UHFFFAOYSA-N 419.550 4.526 0 40 HJAB O=C(COc1ccc(F)cc1)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 8916907 DSJDADQKWXGARK-SFHVURJKSA-N 412.288 4.719 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(OC(F)(F)F)cc3)n2)cc1 9283875 ONRWZBXVMCYZGJ-UHFFFAOYSA-N 421.400 4.919 0 40 HJAB CC[C@@H](CO)Nc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 9307258 DGIJCEMBDIXXRZ-LBPRGKRZSA-N 424.526 4.534 0 40 HJAB CCn1c(SCC(=O)OCc2ccc(Cl)cc2Cl)nnc1-c1ccco1 9398503 PEKOGYFKERSLTB-UHFFFAOYSA-N 412.298 4.700 0 40 HJAB CCOC(=O)c1sc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)nc1C 9425507 FAOHYTODAASXRL-UHFFFAOYSA-N 423.705 4.606 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2Cl)cc1NS(=O)(=O)c1ccccc1 10314364 FHZONZMYAKCZFO-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccccc1C(C)C)S(C)(=O)=O 10369694 LMCBSVLLNBJMCG-OAHLLOKOSA-N 408.951 4.565 0 40 HJAB COc1ccc(Nc2ccc(NC(=O)C[C@H](NC(C)=O)c3ccccc3)cc2)cc1 10633316 JYUBQAVUDIBQEU-QHCPKHFHSA-N 403.482 4.645 0 40 HJAB O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccc2c(c1)OCCO2 11708563 GWHCMWFIQHGGKJ-UHFFFAOYSA-N 402.475 4.911 0 40 HJAB CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2Br)cc1 12062621 BLHIJRXEVQYQMS-UHFFFAOYSA-N 402.248 4.540 0 40 HJAB CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C4CCCC4)C3)cc2N1 12160738 VESDVEQQFAZFNM-PVAVHDDUSA-N 412.500 4.723 0 40 HJAB COc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 12600305 WZHXMSKTJUVPBN-UHFFFAOYSA-N 417.534 4.941 0 40 HJAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1 12757424 FFARSQZQGLUMIM-MRXNPFEDSA-N 405.560 4.658 0 40 HJAB CCc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 12780606 VCUJDSYYVTWSBC-INIZCTEOSA-N 418.522 4.907 0 40 HJAB Cc1ccc(Nc2nc(CN(C)CC(=O)Nc3ccccc3Cl)cs2)cc1 13062087 LPGKXJRGJJKILP-UHFFFAOYSA-N 400.935 4.919 0 40 HJAB O=C(COC(=O)/C=C/c1ccccc1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 13063000 HCTDRLLEXNQULI-WUKNDPDISA-N 423.472 4.734 0 40 HJAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(Cc1cccnc1)C3=O 13207162 UGBGPGPTYQKPCA-NRFANRHFSA-N 414.436 4.689 0 40 HJAB CCOc1ccc(-c2cc(C(=O)O)c3c(-c4ccc(OCC)cc4)[nH]nc3n2)cc1 13363520 AUSKZPUDRPAKPO-UHFFFAOYSA-N 403.438 4.788 0 40 HJAB CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H](C)Oc1ccccc1Cl 13870896 GVNAFCNUGVBZHL-CQSZACIVSA-N 422.982 4.632 0 40 HJAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 14164579 LGHOXNHJTCBGDN-ZDUSSCGKSA-N 424.328 4.733 0 40 HJAB CCc1nc(SCC(=O)Nc2cc(C)ccc2OC)c2c(C)c(C)sc2n1 15935468 BJJDCVFYQJVZMW-UHFFFAOYSA-N 401.557 4.918 0 40 HJAB CC(C)Oc1cccc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1 19450830 AXHOXKJVIUYWDT-XMMPIXPASA-N 423.601 4.984 0 40 HJAB CCC(CC)C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1 19500105 MNFQSDZWZQOSNW-DLBZAZTESA-N 410.553 4.846 0 40 HJAB COc1ccccc1CN1CCC([C@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 19570099 DKGNZXGTOMIJHE-SANMLTNESA-N 421.585 4.740 0 40 HJAB COc1c(C(=O)Nc2cccc(C(=O)O)c2C)cc2ccccc2c1Br 20139236 DFHOBYUDIQMYRV-UHFFFAOYSA-N 414.255 4.870 0 40 HJAB COc1ccc([C@@H](NC(=O)c2cc3c(s2)CCCCCC3)c2nccn2C)cc1 22471119 PYJYPTRNPUZPBQ-OAQYLSRUSA-N 409.555 4.669 0 40 HJAB O=C(Cc1csc(Nc2ccc(OC(F)(F)F)cc2)n1)N1CCc2ccccc21 23235886 MAINWJXUNDFSNC-UHFFFAOYSA-N 419.428 4.917 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(CNCc3ccccc3Cn3cccn3)c2)cc1 24761259 ZXNFFWPLFNENND-UHFFFAOYSA-N 410.521 4.782 0 40 HJAB Cc1ccc(NC(=O)CNc2ccc(NC(=O)CC(C)C)cc2)c(Br)c1 24980222 NKXUCSHFAFUDKY-UHFFFAOYSA-N 418.335 4.793 0 40 HJAB Cc1c(-c2ccccc2)oc2c(C(=O)N(C)Cc3nccn3C(F)F)cccc2c1=O 31151129 IXIGKUUMYOUFPK-UHFFFAOYSA-N 423.419 4.632 0 40 HJAB O=C(Cc1ccc(Br)cc1)NCc1cccc(COCc2ccco2)c1 32915073 NEQRLJJTKZKNTO-UHFFFAOYSA-N 414.299 4.618 0 40 HJAB COc1ccc(NC2(c3nnnn3-c3ccc(C(C)C)cc3)CCCC2)cc1OC 35622622 MVRIWKBFJZLSKR-UHFFFAOYSA-N 407.518 4.684 0 40 HJAB COC(=O)CN[C@@H](c1ccccc1)c1cc(C)ccc1NC(=O)c1cccc(Cl)c1 36379706 PLXOOIZVUGWKPU-QHCPKHFHSA-N 422.912 4.753 0 40 HJAB CC(=O)Nc1cccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc23)c1 49004782 NQVJIRIGRUBOTI-UHFFFAOYSA-N 417.513 4.656 0 40 HJAB O=C(CSc1nccc(N2CCCCC2)n1)Nc1ccc(Oc2ccccc2)cc1 49399580 LXUMKQFAOUSEAA-UHFFFAOYSA-N 420.538 4.990 0 40 HJAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(Cc1ccco1)CO3 55396212 NJPHRCJMIIPGJB-UHFFFAOYSA-N 401.462 4.946 0 40 HJAB COc1ccc(C)cc1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486703 LEDSGAZEQQVKQE-UHFFFAOYSA-N 422.872 4.814 0 40 HJAB CC(C)OCCCn1c(SCc2cc(F)cc(F)c2)nc2ccccc2c1=O 67259124 XTOLCSSTZVNQQT-UHFFFAOYSA-N 404.482 4.782 0 40 HJAB CCc1cccc(C)c1NC(=O)CN1C(=O)C(c2ccc(C)cc2)=NC12CCCCC2 71768998 XRZLMKGXUCXNSD-UHFFFAOYSA-N 417.553 4.796 0 40 HJAB COc1ccc(CN2CCCC[C@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 72373152 NIGFCWPBZVFLLQ-REWPJTCUSA-N 409.574 4.738 0 40 HJAB O=C(/C=C/c1ccccc1Cl)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607519 PNVXMWIUYVHJBY-VMPITWQZSA-N 410.823 4.837 0 40 HJAB O=C(NCCc1ccncc1)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1 96037845 QDFRECWRWDQFEK-UHFFFAOYSA-N 416.462 4.579 0 40 HJAB O=C1Oc2ccccc2[C@@H]2c3sc(=O)[nH]c3S[C@H](c3ccc(Cl)cc3)[C@H]12 96306211 IPSHIDQQUQICMR-RRFJBIMHSA-N 401.896 4.604 0 40 HJAB CCN(CC)c1ccc(C2=NN(C(C)=O)[C@H](c3ccc(Br)cc3)C2)cc1 97104971 XHLISPFNNIYWSH-NRFANRHFSA-N 414.347 4.993 0 40 HJAB COc1ccc(Br)c(C(=O)N2CCS[C@@H](c3ccccc3)CC2)c1 211139372 QIGCCKGDPZXDNQ-GOSISDBHSA-N 406.345 4.778 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 222824883 RDKTXFNJGDJSEE-INIZCTEOSA-N 418.990 4.764 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 223142469 VTEGMSHGZCQXSY-KRWDZBQOSA-N 418.940 4.664 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 223745777 VIFLLNDNRIWNJI-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB COc1ccc(Br)cc1S(=O)(=O)N[C@H](CC(C)C)c1ccccc1 224031552 QMJDOIXPZVGQME-MRXNPFEDSA-N 412.349 4.523 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2C)cc1 224305019 YOXRXTNSEDVHBT-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB CCc1ccc([C@H](C)NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 224915081 YWMXJRAVXNIRMM-SFHVURJKSA-N 422.550 4.565 0 40 HJAB COc1ccc(CCC(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 225319408 SWBSLBGDTFKZKR-UHFFFAOYSA-N 407.514 4.634 0 40 HJAB CCn1c(SCc2ccc(C(=O)OC)o2)nnc1-c1ccc(Cl)cc1Cl 408554328 DEKNNQNQOAZRTO-UHFFFAOYSA-N 412.298 4.944 0 40 HJAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3cccc(Cl)c3)sc2n1 408621602 OUOZJRNBMZOWCX-UHFFFAOYSA-N 404.948 4.919 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(C)cc2)cc1 408695619 RQEJFPPCZQRBRC-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(C)cc2C)cc1 409179511 PIZAORVEBSGNHW-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3OCCn3ccnc3)cs2)cc1 501963808 LWDGIFKFQGEJQF-UHFFFAOYSA-N 404.495 4.646 0 40 HJAB COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)N[C@@H](C)Cc2ccc(O)cc2)cc1 523596949 PNMOTNZGSFZMNY-XDHUDOTRSA-N 422.500 4.754 0 40 HJAB O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 570195454 OJUJBXFVHQZTOH-HNNXBMFYSA-N 407.857 4.519 0 40 HJAB CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1cc(-c2cc(OC)ccc2Cl)no1 1526628361 VJVLAHNODYOADL-MOPGFXCFSA-N 406.910 4.669 0 40 HJAB Cc1ccc2ncc(-c3cccc([C@H]4CCCN(C(=O)Cc5ccccc5)C4)n3)n2c1 2037846359 OREJUBBRWINNMK-NRFANRHFSA-N 410.521 4.653 0 40 HJAB CC[C@H](C)NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc2c1Cl 848611 IIYHDJYJKSWEKS-NSHDSACASA-N 410.827 4.905 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(c1nc(C)c(C)s1)C3=O 2409081 VDWDQLMLJCTYQB-IBGZPJMESA-N 402.475 4.925 0 40 HJAB CCOC(C(=O)OCC(=O)Nc1ccc(C)c(C)c1)(c1ccccc1)c1ccccc1 3399073 NSGUBJYICWWFBB-UHFFFAOYSA-N 417.505 4.765 0 40 HJAB CSCC[C@H](NCC(=O)Nc1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1 3412942 CXOPCKHXCXIOAS-INIZCTEOSA-N 423.369 4.892 0 40 HJAB Cc1ccc(OCCCCn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)cc1 5235884 XDLSPHPSVOPWRN-UHFFFAOYSA-N 407.558 4.909 0 40 HJAB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](Nc3ccccc3)[C@@H]2C)OCO4)c1O 5550989 BEOMZXKHEQYFOO-DXHOUVOYSA-N 405.450 4.728 0 40 HJAB COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 5880049 SUTWLLYEKSOFOY-UHFFFAOYSA-N 404.491 4.695 0 40 HJAB Cc1cccc(OCCn2c([C@H]3CC(=O)N(c4ccccc4)C3)nc3ccccc32)c1 6608861 ILCYDZCWYHXVBC-FQEVSTJZSA-N 411.505 4.944 0 40 HJAB CCN(C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]12)C[C@](C)(O)c1ccccc1 6780222 JTMYRQKZNPTWKI-DTIZUBSJSA-N 411.586 4.674 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 6812346 JNFDJZVCOWVELG-INIZCTEOSA-N 413.905 4.903 0 40 HJAB Cc1ccc(C(=O)c2ccccc2C(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1 7651434 UBLYVMZKDZFMFX-UHFFFAOYSA-N 412.441 4.998 0 40 HJAB CCN(CC)C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 7668515 ARRVMXXJRVPCAR-UHFFFAOYSA-N 412.917 4.711 0 40 HJAB Cc1cc(C(=O)COc2ccc(N3CCCC3=O)cc2)c(C)n1Cc1cccs1 8185259 ZHGCQNNVPQKLGD-UHFFFAOYSA-N 408.523 4.603 0 40 HJAB CC(C)c1cc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc2n1 8232336 SUDNDSJVPKAMMX-UHFFFAOYSA-N 407.558 4.613 0 40 HJAB Cc1cc(OCc2n[nH]c(S[C@H](C)C(=O)NCC3CCCCC3)n2)ccc1Cl 8277726 BOYHAFJHTDRQQU-CQSZACIVSA-N 422.982 4.523 0 40 HJAB Cc1cccc(CC(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)c1 8959972 KAAYRCYABWQGFF-UHFFFAOYSA-N 408.542 4.974 0 40 HJAB O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8986241 HWRHAWKNUIPOND-KRNDSPITSA-N 423.896 4.807 0 40 HJAB CCc1ccc(NS(=O)(=O)c2c(-c3ccc(C)cc3)csc2C(=O)OC)cc1 9002253 PAODYWBLIAETQB-UHFFFAOYSA-N 415.536 4.873 0 40 HJAB COc1ccc(Nc2nc(NCc3ccc(C)cc3)nc3c2cnn3C)cc1Cl 9212240 MDHMDWSTNXNBEQ-UHFFFAOYSA-N 408.893 4.689 0 40 HJAB O=C(Nc1c(C(=O)c2ccc3c(c2)OCO3)oc2ccccc12)c1cccc(F)c1 9328366 FZOVGNFUXJCAII-UHFFFAOYSA-N 403.365 4.784 0 40 HJAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2c(F)cccc2F)s1 9545848 REDXGIFIZSSRKH-UHFFFAOYSA-N 422.482 4.689 0 40 HJAB COc1cc(C)ccc1NC(=O)Cc1csc(SCC(=O)c2ccccc2)n1 12444168 XHUNPXIUGRGRCV-UHFFFAOYSA-N 412.536 4.616 0 40 HJAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 12545633 QJAITCOKMLCKNG-JOCHJYFZSA-N 401.466 4.800 0 40 HJAB COc1cc(NC(=O)[C@H](C)Sc2nc3ccccc3n2C(F)F)cc(OC)c1 12547286 BAKLAUSLKUGAMK-NSHDSACASA-N 407.442 4.568 0 40 HJAB C[C@@H]1CCc2c(sc3nc(COC(=O)C4(c5ccccc5)CCCC4)[nH]c(=O)c23)C1 12771709 MOVVODOOBHIMRP-OAHLLOKOSA-N 422.550 4.665 0 40 HJAB COc1cccc([C@@H](CNC(=O)CCc2ccc(-c3ccccc3)o2)N2CCCC2)c1 12780198 XHPMDTXBNDFYRG-XMMPIXPASA-N 418.537 4.841 0 40 HJAB CC(C)c1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 12797592 NQJSBRAOZOBIFQ-UHFFFAOYSA-N 414.571 4.556 0 40 HJAB O=C(CSCc1cc(-c2ccc(Cl)cc2)no1)N1CCC(c2ccccc2)=N1 13019318 CCCUHYNKSYAQQW-UHFFFAOYSA-N 411.914 4.865 0 40 HJAB Cc1csc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)n1 13945814 DNPQHXRJCHUUBI-UHFFFAOYSA-N 419.535 4.701 0 40 HJAB Cc1cc(C)c(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c(C)c1 15398074 MUWSECZMGWULOO-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB CCOc1ccc([C@H](c2sc3nc(CC)nn3c2O)N2C[C@H](C)C[C@@H](C)C2)cc1 16690127 CAGJIBIIVMKPNX-SPYBWZPUSA-N 414.575 4.525 0 40 HJAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(OC)cc4OC)sc3n2)cc1 16992522 YDQAURIOBWSZPY-UHFFFAOYSA-N 423.494 4.649 0 40 HJAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)ccc12 18195804 MLOBCDBSEDKLBN-HSZRJFAPSA-N 423.465 4.587 0 40 HJAB Cc1ccc(-c2nnc([C@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)o2)cn1 19215084 GSJLYPRKIXCCJK-HNNXBMFYSA-N 417.296 4.767 0 40 HJAB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccccc1C 19818177 JYFGYISWWSHUJH-FCHUYYIVSA-N 419.525 4.506 0 40 HJAB COc1cccc(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1 20104675 GLDLQMYOBDZEJF-CYBMUJFWSA-N 414.354 4.819 0 40 HJAB Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2cccc(C)c2)C4)cc1 20796085 XMTZLXNIOZHFGF-LJQANCHMSA-N 414.534 4.946 0 40 HJAB CCOc1ccc(NC(=O)c2nnc3c(-c4ccccc4)c(C(C)C)nn3c2C)cc1 20797820 KDMZQRZSVAAJRH-UHFFFAOYSA-N 415.497 4.874 0 40 HJAB CCn1cc(C(=O)N[C@@H](C)CCc2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21 22236991 WVEHLLRUVQRVMS-HNNXBMFYSA-N 416.443 4.791 0 40 HJAB COc1ccc2nc(NC(=O)c3ccccc3OCc3c(C)noc3C)sc2c1 22699266 XOQSKCSWYKVQRQ-UHFFFAOYSA-N 409.467 4.741 0 40 HJAB C[C@@H]1CCCN([C@@H](c2ccccc2F)c2sc3nc(-c4ccco4)nn3c2O)C1 22852103 XNDPENLGZFYLEA-DYVFJYSZSA-N 412.490 4.717 0 40 HJAB C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)cc2)C[C@H](C)O1 25080997 WSDUDPYGJOQHTF-IRXDYDNUSA-N 407.539 4.672 0 40 HJAB COc1ccc(OC)c(CN(C(=O)/C=C/c2cccc(Br)c2)C2CC2)c1 25804793 DFMMLZCQLWIOPE-IZZDOVSWSA-N 416.315 4.671 0 40 HJAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(Cn2cc(Br)cn2)cc1 27970024 UGFUZVJRNJGIDJ-FQEVSTJZSA-N 410.315 4.501 0 40 HJAB C[C@](Cc1nc2ccccc2s1)(C(=O)NCCc1ccccn1)c1ccccc1 32657477 YYGWMUXUZJLLHZ-XMMPIXPASA-N 401.535 4.551 0 40 HJAB Clc1ccc(Cc2nc(CSc3nncn3Cc3ccco3)cs2)cc1 32913797 QCGFZWMOFBRZAS-UHFFFAOYSA-N 402.932 4.912 0 40 HJAB COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(F)c2)cc1 36247412 PBHASELGUXQFEW-UHFFFAOYSA-N 405.878 4.883 0 40 HJAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1cccc(OCC(=O)OC)c1 40145408 GLHMXFNCUYVFJO-UHFFFAOYSA-N 411.479 4.618 0 40 HJAB CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(CC)cc2)C1 44803804 OIMGVOLWUYNQFN-LJQANCHMSA-N 418.541 4.836 0 40 HJAB CC(=O)c1cccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc23)c1 49004677 RVCGBXLMHFVURF-UHFFFAOYSA-N 402.498 4.901 0 40 HJAB Cc1cccc(-n2c(SCC(=O)Nc3ccccc3)nc3ccsc3c2=O)c1C 67217201 QIBIEYNAGUJHNW-UHFFFAOYSA-N 421.547 4.795 0 40 HJAB COc1ccc(Cn2c(SCCc3ccccc3)nc3ccsc3c2=O)cc1 71327618 ORUBDHZMIMXOCQ-UHFFFAOYSA-N 408.548 4.850 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)CCn2nccc2C)n1 72370031 XFPOHJONDRMFFX-HSZRJFAPSA-N 406.505 4.845 0 40 HJAB CC1(C)C[C@H](NC(=O)C(C)(C)Oc2ccc([C@H]3CC3(Cl)Cl)cc2)CCO1 72403505 TXHIXEPDUGQYFH-GDBMZVCRSA-N 400.346 4.579 0 40 HJAB O=C(NCc1cccs1)c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn23)n1 96038120 RCWHNMGVSZINFC-UHFFFAOYSA-N 416.481 4.923 0 40 HJAB CCOc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 98072929 QPFNUFKBAJDYFM-UHFFFAOYSA-N 424.238 4.667 0 40 HJAB Cc1cc2ccncc2n1CC1(O)C[C@H]2CC[C@H](C1)N2Cc1ccc(OC(C)C)cc1 100146061 OBKXOWDLIRLHFO-DHIUTWEWSA-N 419.569 4.690 0 40 HJAB O=C1/C(=C\NCc2ccco2)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 102421842 DEUAIFDQNQASCR-LGMDPLHJSA-N 412.367 4.616 0 40 HJAB CCC(C)(C)[C@@H]1CCC(=O)[C@H]([C@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)C1 103359863 XPCARUDWUHWMFW-OFUUFJSKSA-N 423.528 4.982 0 40 HJAB Cc1cc(Br)cc(Cl)c1OCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 105696498 OOGNZOFNGJOZQA-PWNZVWSESA-N 400.744 4.731 0 40 HJAB O=C(O)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1NCCC1=CCCCC1 217582610 OXEYAUILJRYGEV-UHFFFAOYSA-N 420.575 4.688 0 40 HJAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(OC4CCN(C)CC4)cc3)cc2)CC1 219237432 ADNHQKONWYGFBK-UHFFFAOYSA-N 421.585 4.644 0 40 HJAB CCc1ccc(O[C@H](CC)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 222883950 VJAOXXFYMKZACO-JOCHJYFZSA-N 400.950 4.717 0 40 HJAB COc1cc(C)c([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1C(C)C 223384088 BMWIKZBIKMRFLD-CQSZACIVSA-N 411.951 4.829 0 40 HJAB CCOc1ccccc1CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 223557415 IURWYYPSYKNQPH-QNGOZBTKSA-N 420.534 4.543 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)c3cc(C)ccc3C)c2)cc1 223958063 AFGVKROJCYLAFT-LJQANCHMSA-N 422.550 4.904 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 224153713 GCVCZQGNWYBGAV-QFIPXVFZSA-N 412.961 4.749 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 224666101 LCWBTOIGFBODTB-XMMPIXPASA-N 408.586 4.734 0 40 HJAB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 224875761 QHSUIFHIHUBMIY-UHFFFAOYSA-N 412.349 4.796 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 225513296 OVXXHTYHFFIBBE-URXFXBBRSA-N 408.586 4.876 0 40 HJAB Cc1cc(F)ccc1S(=O)(=O)NCCSCc1c(Cl)cccc1Cl 225593129 XAGKWDCJFUZLAR-UHFFFAOYSA-N 408.347 4.653 0 40 HJAB CCOc1ccc([C@@H](C)NC(=S)Nc2cccc(C(=O)OC)c2C)cc1OCC 225750466 APONLDNDULCREN-OAHLLOKOSA-N 416.543 4.627 0 40 HJAB CC(=O)c1cccc(NC(=O)c2cc(Br)c(C)c(Br)c2)c1 226274319 DAOZBQARNHPSOG-UHFFFAOYSA-N 411.093 4.975 0 40 HJAB CC1(C)[C@H](NC(=O)Cc2ccccc2)[C@@]23CCO[C@H](c4cccc(O)c4)[C@H]2C[C@@H]1C3 257258731 KVGGRERQFAKTCU-VSCLMIGZSA-N 405.538 4.634 0 40 HJAB COc1cc(C)ccc1CN1CCC(c2cncc(Nc3cccc(C)n3)n2)CC1 257334007 YECXBGHHXWNQIV-UHFFFAOYSA-N 403.530 4.620 0 40 HJAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(O)c(OCC)c4)OCC[C@@]31C2 257334846 YHPOLRXFLVVHEB-VISFHTIBSA-N 401.547 4.590 0 40 HJAB O=S1(=O)c2ccccc2N[C@H](c2c(F)cccc2Cl)N1Cc1ccccc1 409112057 BQEZAFMDWAHFIH-FQEVSTJZSA-N 402.878 4.794 0 40 HJAB CCCc1sc2nc(SCC(=O)OC)n(-c3ccc(Cl)cc3)c(=O)c2c1C 409121774 WJEYQMGBUIPESM-UHFFFAOYSA-N 422.959 4.627 0 40 HJAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(C)cc1 409351435 UKFSEHYKTUOATF-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(CC2CCCCC2)CC[C@@]1(C)O 514290021 VALOAXHMDXHLGC-QNWVGRARSA-N 406.636 4.747 0 40 HJAB biogenic,in-vitro Cc1ccc(CNS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)cc1 1659374961 DKZHLWHZQUQNFI-UHFFFAOYSA-N 409.132 4.543 0 40 HJAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(Cl)cc2Cl)nn1 1775975908 QEWOCGNNPAAMNC-YIONKMFJSA-N 407.345 4.891 0 40 HJAB Cc1cc(C)n(-c2nc(Nc3ccc(Cl)cc3)nc(Nc3cccc(F)c3)n2)n1 682647 YYJFZQXLXHIRSM-UHFFFAOYSA-N 409.856 4.954 0 40 HJAB O=c1oc2cc(O)ccc2cc1-c1nnc(Nc2cccc(C(F)(F)F)c2)s1 970930 GPEIPGHUYHVKCV-UHFFFAOYSA-N 405.357 4.780 0 40 HJAB CC(C)C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O 1409877 QBJMBRSMZFCIJJ-QGZVFWFLSA-N 405.281 4.643 0 40 HJAB COc1cccc([C@H](OC(=O)c2ccccc2)c2nncc3ccccc23)c1OC 1557210 HKTDBFBIEKRRPF-QHCPKHFHSA-N 400.434 4.593 0 40 HJAB CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12 2502129 HMQFTWYFGJNXGT-UHFFFAOYSA-N 405.447 4.638 0 40 HJAB Cc1ccc2c(c1)C1=C([C@H](c3ccc(F)cc3)N3NC=NC3=N1)[C@H](c1cccs1)O2 2707234 LMVQSYZTBOVYKZ-VXKWHMMOSA-N 416.481 5.000 0 40 HJAB C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)N[C@H]1CCCc2ccccc21 3356414 VUNRUCXGKWNVBN-KSSFIOAISA-N 416.616 4.957 0 40 HJAB NC(=O)c1ccsc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3415287 DXZFGENRYFREDT-UHFFFAOYSA-N 422.897 4.605 0 40 HJAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1ccc(Cl)cc1Cl 4251735 HVIDGCHCMKGBBG-LLVKDONJSA-N 407.326 4.690 0 40 HJAB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc2ccccc12 4262980 AGDHPFHBHOCBOS-JOCHJYFZSA-N 401.466 4.505 0 40 HJAB Cc1cccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1 4384986 FZYFUIKFLFDHEJ-UHFFFAOYSA-N 405.542 4.663 0 40 HJAB O=c1c2c3n(c(SCc4ccccc4F)nc-2nn1-c1ccccc1)CCCCC3 5700520 BXOKFYVPXKGKNJ-UHFFFAOYSA-N 420.513 4.692 0 40 HJAB Cc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1F 6647929 BEKZFGIHSJMCDU-NSHDSACASA-N 401.532 4.994 0 40 HJAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OCCC)cc1 6752988 PTAHSPCWEZSCFK-QHCPKHFHSA-N 405.498 4.916 0 40 HJAB c1ccc(-c2ccc(CNCCCSc3nnnn3-c3ccccc3)cc2)cc1 7541388 LSSNGEOTBQBOQZ-UHFFFAOYSA-N 401.539 4.601 0 40 HJAB COc1ccc(Nc2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)cc1 7572459 YNZJWBWAYQSWFE-UHFFFAOYSA-N 404.470 4.783 0 40 HJAB CCN(CC)Cc1nc(NCCOc2ccccc2F)c2c(C)c(C)sc2n1 7780877 TVPKAXCVZUSKKS-UHFFFAOYSA-N 402.539 4.780 0 40 HJAB COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc(OC)c1OC 7883974 YTRYDHRIIPLVQA-DEOSSOPVSA-N 418.493 4.788 0 40 HJAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1ccc(F)cc1 7939784 KREVBEAQMMJBSQ-UHFFFAOYSA-N 400.409 4.836 0 40 HJAB CC(C)[C@H](NC(=O)CCCSc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 9125682 PPWZKOBHPGIKNT-FQEVSTJZSA-N 407.543 4.825 0 40 HJAB Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)c4ccc(C)c(C)c4)s3)CC2=O)c1 9199772 ZOYKHHGFCMGANE-SFHVURJKSA-N 420.538 4.545 0 40 HJAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3ccc(F)c(Cl)c3)CC2)cc1 9984424 YYPRVDQHNVGBHU-YCRREMRBSA-N 401.865 4.622 0 40 HJAB Cc1ccc(C(=O)NCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 10041706 IYHFSUBTEFBWFD-QHCPKHFHSA-N 421.880 4.546 0 40 HJAB O=C(Cc1ccc(Br)cc1)Nc1ccnn1Cc1ccc(Cl)cc1 12595531 RKIYUICGHGOEBB-UHFFFAOYSA-N 404.695 4.529 0 40 HJAB CC(C)n1ncc2cc(NC(=O)Cc3csc(-c4cccc(Cl)c4)n3)cnc21 12808849 RVGAAJDSMRCUTH-UHFFFAOYSA-N 411.918 4.970 0 40 HJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2O)cc1OC 13003917 PABYJFHVZXXEGL-UHFFFAOYSA-N 415.449 4.514 0 40 HJAB COc1c(Br)cc(Cl)cc1NC(=O)c1ccc(Br)o1 14555061 PVPYNIQBKSKEHV-UHFFFAOYSA-N 409.461 4.719 0 40 HJAB COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccc3c(c2)OCO3)cc1OC 15107642 UBLCCRHNPYUROH-CQSZACIVSA-N 409.463 4.635 0 40 HJAB COc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1OC 15581250 RSEZSLPIWOSOHX-UHFFFAOYSA-N 417.484 4.985 0 40 HJAB Fc1cc2c(c(CSc3nnc4c(Cl)cc(C(F)(F)F)cn34)c1)OCOC2 16253683 KKHXHPHWEQHAJZ-UHFFFAOYSA-N 419.787 4.699 0 40 HJAB Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1 17092617 LWNXWBZKOOMFNN-UHFFFAOYSA-N 421.309 4.787 0 40 HJAB COc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1nn(C)cc1-c1ccncc1 19290073 YBMFFHGZAUYEPX-IBGZPJMESA-N 410.905 4.512 0 40 HJAB O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccsc2)C1 19370920 TWANSWJNDYJRDR-WIOPSUGQSA-N 419.594 4.845 0 40 HJAB CCn1cc(CN2CCCCC[C@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)cn1 19524925 DESUMKVPZYPBQS-FQEVSTJZSA-N 410.518 4.693 0 40 HJAB CN(C)c1cc([C@H]2CCCN(Cc3cccc4ncccc34)C2)nc(-c2ccncc2)n1 19584594 BPEPDYVHJXPJJY-NRFANRHFSA-N 424.552 4.532 0 40 HJAB CCn1c(CN2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2)nc2ccccc21 19713199 ZEIDVCIQKFINJB-RPWUZVMVSA-N 416.569 4.602 0 40 HJAB CCc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(CC)cc4)nc3c2)cc1 20610193 FIDVLQYGNMYPCF-UHFFFAOYSA-N 400.482 4.563 0 40 HJAB COC(=O)c1occc1CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 25025398 MZDUNXWXIDGIFN-UHFFFAOYSA-N 418.540 4.862 0 40 HJAB Cc1cc(OCCCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1Cl 25462424 MWJMNASZSKPLGJ-WEVVVXLNSA-N 412.961 4.665 0 40 HJAB O=C(Nc1ccc(N2CCCC2)nc1)c1c(-n2cccc2)sc2c1CCSC2 26083842 QXYJEQFLEJEVPK-UHFFFAOYSA-N 410.568 4.576 0 40 HJAB O=C(c1csc2ccccc12)N1CCN(Cc2csc(-c3ccco3)n2)CC1 29853032 GKUMNWVVSDBNRX-UHFFFAOYSA-N 409.536 4.576 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4ccc(Cl)cc4)nn32)c1 32097346 GHKOPHQNSUSTOS-GOSISDBHSA-N 422.872 4.886 0 40 HJAB COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3cccc(F)c3)n2)c1 33327344 IPKWXXMWLSBPHC-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 33728113 UUNLDCZMNVIXLY-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB Cc1ccc(-c2noc([C@@H](C)N3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)cc1F 36389828 JJEGBUXDECEGPF-AEFFLSMTSA-N 408.477 4.596 0 40 HJAB O=C(Nc1ccccc1NC(=O)c1cccnc1)Nc1ccccc1C(F)(F)F 38678837 VRWFRCPORZCUMW-UHFFFAOYSA-N 400.360 4.997 0 40 HJAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 40059704 BPZOLOJDWNYSJT-LJQANCHMSA-N 423.516 4.827 0 40 HJAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1ccc(-n2cnc3ccccc32)cc1 47187549 JBYCXYNAXQCSGZ-UHFFFAOYSA-N 407.433 4.860 0 40 HJAB Cc1cc(C)c(NC(=O)CN2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)c(C)c1 49403388 QPKYYMQWCPBVFN-UHFFFAOYSA-N 422.504 4.619 0 40 HJAB O=c1c(-c2ccc(Cl)cc2)coc2c3c(ccc12)OCN(Cc1ccccn1)C3 54313355 RRDTYDABMNQKED-UHFFFAOYSA-N 404.853 4.861 0 40 HJAB biogenic Cc1nccn1-c1ccc(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1F 63110161 FWAIWSAMFUKELE-UHFFFAOYSA-N 414.893 4.960 0 40 HJAB CCCCCCc1cc2cc(-c3nnc(-c4ccnc(OC)c4)o3)c(=O)oc2cc1O 70039601 JTZBKHWMJKFTSI-UHFFFAOYSA-N 421.453 4.742 0 40 HJAB COc1cc(NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cc(OC)c1 72314273 RWGUAHCMEHCMHC-QGZVFWFLSA-N 406.486 4.505 0 40 HJAB CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(CCCc3ccccc3)C2)c1 72358902 OYBCWZVGABOIDO-QHCPKHFHSA-N 414.553 4.914 0 40 HJAB O=C(CCc1nc(-c2ccco2)no1)N1CCc2ccccc2[C@H]1Cc1ccccc1 89830387 LPGUISGWMBYIIH-OAQYLSRUSA-N 413.477 4.631 0 40 HJAB O=C(c1cscn1)N1CC[C@@]2(CCN(Cc3ccc(-c4ccccc4)cc3)C2)C1 96203119 IYUCZSCHAIZYFF-XMMPIXPASA-N 403.551 4.548 0 40 HJAB Ic1ccc(CSc2nnc(COc3ccccc3)o2)cc1 96203395 BQQZBUAJQUOZBK-UHFFFAOYSA-N 424.263 4.546 0 40 HJAB C[C@@H](NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1)[C@H]1C[C@H]2CC[C@H]1C2 103481518 NTLPCEUJAMSPQJ-OWTLIXCDSA-N 411.395 4.970 0 40 HJAB Cc1cc(Cl)ccc1N1C(=O)/C(=C/c2ccccc2Br)NC1=S 105682863 NVVZMBXFQNORBY-ZROIWOOFSA-N 407.720 4.673 0 40 HJAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OC(F)F 106697816 CREVBEUCQJCBEU-SXGWCWSVSA-N 409.385 4.672 0 40 HJAB Cc1nn(C)c(C)c1/C=C1/C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O 118916019 IFDSJTUAVYQLDO-URAZXRAUSA-N 412.618 4.795 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118916252 UWCHXMLXDXSLPL-IXNIKLRASA-N 418.647 4.647 0 40 HJAB Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(Br)cc1)CC(C)(C)O2 218818503 UEDAHMUUNAAIBJ-KRWDZBQOSA-N 404.304 4.555 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 222625975 WVVRQUCPKVFJIB-ZJSXRUAMSA-N 408.586 4.611 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1C 223083605 XBOCXIAGXUFMQW-MSOLQXFVSA-N 400.950 4.523 0 40 HJAB Cc1cccc(CN(C(=O)CCCOc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 223805131 MKLNGHJPELTGBN-NRFANRHFSA-N 422.569 4.630 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1c1ccccc1 224159143 VCSVSPFDXZZDBX-GOTSBHOMSA-N 411.534 4.504 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 224173524 GXXLDQJPGDHRGN-XMMPIXPASA-N 408.586 4.995 0 40 HJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1COCc1ccccc1 224749765 SOLBVKQNXCDCBA-UHFFFAOYSA-N 419.477 4.841 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 225515652 YCMCGYDSBLCRHZ-FYYLOGMGSA-N 424.585 4.713 0 40 HJAB COc1cc(C)nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)n1 225986408 VUSPWJJHFMOTPI-UHFFFAOYSA-N 404.967 4.636 0 40 HJAB COC(=O)c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1 226325086 WHUOFTHPGMRTOX-UHFFFAOYSA-N 401.256 4.977 0 40 HJAB O=C(c1cccc(-c2cncnc2)n1)N1CCC[C@H](Cc2cccc3ncccc23)CC1 257210694 BVSUCHIPDSXQPU-IBGZPJMESA-N 423.520 4.572 0 40 HJAB Cc1noc(C)c1CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@@]31C2 257255978 KJQFEXCBKNVNJY-GNCQFOQZSA-N 408.542 4.533 0 40 HJAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N(C)c1ccccc1 408560687 NMYKHKCIKPUHEP-UHFFFAOYSA-N 416.550 4.797 0 40 HJAB O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1CC(=O)N(c1ccccc1)c1ccc2ccccc2c1 408673760 UXWDBUHBVZPYJO-WNLYKICVSA-N 424.500 4.536 0 40 HJAB Cc1cccc(OCC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1C 408714126 JGMAFNUNOWRVDB-UHFFFAOYSA-N 407.514 4.688 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1 409005967 HPCJVOPMXBONRI-UHFFFAOYSA-N 409.511 4.567 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)c2ccccc2C)cc1 409026434 OTUFIPYNRGBEBX-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB Cn1ccc([C@H](NC(=O)COc2ccc3ccccc3c2)c2ccc(Cl)cc2)n1 545112996 NGYAROWSCUYIQZ-HSZRJFAPSA-N 405.885 4.511 0 40 HJAB C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCC[C@@H](c2ccnc(N)n2)C1 584279660 YTPZIECAPIHXPB-CHWSQXEVSA-N 418.328 4.961 0 40 HJAB Cc1ccc(-c2noc(-c3cccc(Nc4nccc(C(F)(F)F)n4)c3)n2)nc1C 1615612207 DCSNEPYBQBNVCE-UHFFFAOYSA-N 412.375 4.968 0 40 HJAB CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCC(F)(F)F)C(=O)O 1857791374 NAIQNWYIKLQKMG-SFHVURJKSA-N 407.388 4.663 0 40 HJAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(Cl)cc1 684283 HETOKPFUPQIXHC-IBGZPJMESA-N 412.902 4.748 0 40 HJAB CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nnc1C1CCCCC1 793616 MIVBOGKGHNGXPN-OAHLLOKOSA-N 400.548 4.668 0 40 HJAB Cc1cc(F)ccc1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 902113 ZZVQCEVIMDADTN-UHFFFAOYSA-N 411.380 4.934 0 40 HJAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O 993265 KYWMTFHBMWEDQH-OCCSQVGLSA-N 421.722 4.651 0 40 HJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1oc2ccccc2c1NC(=O)C1CC1 4342008 SUFLSQKQLSNDRF-UHFFFAOYSA-N 404.344 4.932 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccc(C)c(O)c3)/c(=N/Nc3ccccc3)oc12 4551548 NGJLHKSQTBZMCH-PNHLSOANSA-N 415.449 4.636 0 40 HJAB O=C(Nc1ccc2sccc2c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 5184628 KRHUJSQPGYIQFO-UHFFFAOYSA-N 408.504 4.954 0 40 HJAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1c(-c2ccccc2)nc2sccn12 5269080 JOBWLPGVKCQHRE-UHFFFAOYSA-N 409.820 4.945 0 40 HJAB CCCCCC(=O)Nc1ccc(C(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1 5399722 VCPQGNONTRBWEH-UHFFFAOYSA-N 406.482 4.655 0 40 HJAB CCOC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OCC)cc1 5640642 BSMKRFLJLLTQCO-UHFFFAOYSA-N 417.918 4.642 0 40 HJAB O=C(OCC(=O)N1CCCCC1)c1ccccc1Nc1cccc(C(F)(F)F)c1 5688635 PGBRMGMXRMRSND-UHFFFAOYSA-N 406.404 4.618 0 40 HJAB COc1ccc(-c2nnc(SCc3cn4ccsc4n3)n2-c2ccccc2)cc1 9403817 NPCZFLKRKCHDFP-UHFFFAOYSA-N 419.535 4.944 0 40 HJAB Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccc(C)c(Cl)c4)c3C)ns2)cc1 9638326 HLCHATFIFCTEKN-UHFFFAOYSA-N 424.917 4.617 0 40 HJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1oc2ccccc2c1COC 9866689 ICUFGWXVYRZXPR-UHFFFAOYSA-N 423.387 4.876 0 40 HJAB C[C@@H]1Oc2c(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cccc2[C@H]1C 9996123 HLOMZCZFTJFIOE-HOTGVXAUSA-N 402.498 4.808 0 40 HJAB COc1cc(-c2nc3cc(NC(=O)c4cccc(F)c4)ccc3o2)cc(OC)c1OC 10120162 KLFHNVYPZRTUOF-UHFFFAOYSA-N 422.412 4.912 0 40 HJAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccnc2)cc1 10215690 RZVWGTYZSLYWKF-ZJSXRUAMSA-N 401.466 4.731 0 40 HJAB Cc1c(C)n(C)c2ccc(C(=O)N3CCC([C@@H]4CC(=O)c5ccccc5O4)CC3)cc12 12088742 MCKSENHGHDSPNN-VWLOTQADSA-N 416.521 4.681 0 40 HJAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccccc1)c1ccccn1 12517066 IVIZEZRGLVGQGW-UHFFFAOYSA-N 412.493 4.673 0 40 HJAB O=C(/C=C/c1cc(Br)ccc1F)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12577644 XRHYYJGNMTUFMB-RUJXFNLJSA-N 414.278 4.841 0 40 HJAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12577950 QCLUWSMHJWPYFB-QFIPXVFZSA-N 402.494 4.529 0 40 HJAB COc1cccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)nc3c2cnn3C(C)C)c1 12757293 FHEZTNLXRKBIMR-UHFFFAOYSA-N 421.522 4.758 0 40 HJAB O=S(=O)(c1cccc(Br)c1)N1CCC[C@@H]1c1nc2ccccc2s1 12983713 TZAKZHUZQBPFCA-OAHLLOKOSA-N 423.357 4.585 0 40 HJAB CC(C)C(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)CC1 12984728 XLOMDSDDFGIXMR-QHCPKHFHSA-N 404.510 4.533 0 40 HJAB Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1cccnc1)O2 13036200 FZSWFHLKWRHBCI-GCJKJVERSA-N 405.841 4.706 0 40 HJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 13997880 JTLPZZKPRRBSBV-LFIBNONCSA-N 406.507 4.756 0 40 HJAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(C)cc1 14082310 NTEJZWRJOKDQIN-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N(C)Cc4ccco4)cc3)ccc12 14245901 CSTABVCCTBGIOQ-UHFFFAOYSA-N 403.434 4.546 0 40 HJAB COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccco4)cc3c2C)c1 15729481 YURMKSZYYMNIMM-UHFFFAOYSA-N 405.406 4.835 0 40 HJAB biogenic COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3ccccc3Cl)cs2)cc1 15832742 UQSGIHBUTQACAR-ZDUSSCGKSA-N 402.903 4.556 0 40 HJAB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@H]1c1ccco1 15973960 JMKBWRJNDQOQKP-NRFANRHFSA-N 411.461 4.794 0 40 HJAB O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccccc1 17083293 IGBKYCSQZFHQOU-UHFFFAOYSA-N 405.929 4.915 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 17088784 QWAQYPGQLGNARW-OWLDWWDNSA-N 411.310 4.802 0 40 HJAB CCCCc1ncc(C=C(Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1 19632606 OROAFUQRIXKEMV-UHFFFAOYSA-N 424.522 4.744 0 40 HJAB biogenic CC[C@H](NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 20454849 ITNGQJOZIDLBOZ-QHCPKHFHSA-N 422.550 4.534 0 40 HJAB Cc1ccc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 20481153 IPDIOALPGCRAFH-UHFFFAOYSA-N 407.535 4.975 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 25376635 KYXPEFROHPJSTD-UHFFFAOYSA-N 407.813 4.767 0 40 HJAB CCOc1ccccc1NC(=O)N(Cc1nc2n(n1)CCCCC2)c1ccc(C)cc1 28527919 KDFBBBHBFRXNNN-UHFFFAOYSA-N 419.529 4.950 0 40 HJAB COc1cccc(Cn2nc(C)c(NC(=O)Nc3ccc(F)c(Cl)c3)c2C)c1 32610110 ATXVWNALPCQYGC-UHFFFAOYSA-N 402.857 4.993 0 40 HJAB O=C(CSc1nc(-c2ccco2)nc2ccccc12)N1CCc2ccccc2C1 32868651 BVUNBCCHOYIEIA-UHFFFAOYSA-N 401.491 4.567 0 40 HJAB C[C@H]1Cc2cc(Br)cc3c(=O)c(C(=O)NCCC4=CCCCC4)cn1c23 33089159 ZKPDRKOTKGJDKS-ZDUSSCGKSA-N 415.331 4.501 0 40 HJAB Cc1nc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)sc1C 35289275 DFBYPKMKGNXZAJ-UHFFFAOYSA-N 408.552 4.889 0 40 HJAB CCCCn1c(=O)c2sccc2n2c(SCc3ccccc3Cl)nnc12 35529081 PCNAPJBEBSBBSF-UHFFFAOYSA-N 404.948 4.852 0 40 HJAB CCCCc1ccc(NC(=O)CC[C@@H]2N=C(O)N([C@H](C)c3ccccc3)C2=O)cc1 36594150 ITUPIAQLBSKHCA-UTKZUKDTSA-N 407.514 4.634 0 40 HJAB Cc1cc(C(=O)Nc2ncc(Cl)cc2Cl)c2c(C)nn(-c3ccccc3)c2n1 36611655 VXWGZFPVOOOLEO-UHFFFAOYSA-N 412.280 4.991 0 40 HJAB O=C(CSCc1ccccc1Cl)NCc1cccc(NC(=O)c2ccco2)c1 40074497 DJDXBJJKQATPOG-UHFFFAOYSA-N 414.914 4.735 0 40 HJAB C[C@H](Sc1nncs1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 42204929 MSUVFIZTJJHJLP-LURJTMIESA-N 401.357 4.695 0 40 HJAB CC[C@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)c1ccc(OC)c(OC)c1 44856867 LPDGMLACXOFFCI-QFIPXVFZSA-N 410.558 4.961 0 40 HJAB C[C@H](OC(=O)c1[nH]c2ccccc2c1Cl)C(=O)Nc1ccc(Br)cc1 46767462 QOWROGTVCIENOW-JTQLQIEISA-N 421.678 4.768 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccn(-c3ccc(OC)cc3)n2)cc1 58417713 HUCQIZMLDSCNHD-HSZRJFAPSA-N 405.498 4.647 0 40 HJAB COc1ccccc1-n1c(SCc2ccc(F)c(F)c2)nc2ccccc2c1=O 67259557 GUNPXYLRFCJXGW-UHFFFAOYSA-N 410.445 4.965 0 40 HJAB O=C(CCc1cccc(Cl)c1)N1CCC[C@@H]1c1cccc(Nc2nncs2)n1 72375635 BQKIKBIXUATQGL-QGZVFWFLSA-N 413.934 4.626 0 40 HJAB CCN(CC(=O)OCc1ncc(-c2ccc(F)cc2)o1)Cc1ccc(Cl)cc1 84777459 ACDUHOHIJATABD-UHFFFAOYSA-N 402.853 4.699 0 40 HJAB COc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c(OC)c1 95471181 CQCYTZVVVAPNCW-UHFFFAOYSA-N 423.488 4.629 0 40 HJAB CC[C@@]1(C(=O)c2ccc(C)cc2)[C@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)OC 100130020 KQWIHRUGKSRLSB-NYMACZPPSA-N 414.457 4.603 0 40 HJAB COc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 108195492 KWYAYJKQXVVEEL-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 222456522 DLYPVNXYWXGCIS-OAQYLSRUSA-N 400.950 4.523 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 222983550 WRJLNHRPWOFHMW-FQEVSTJZSA-N 410.558 4.522 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 223606291 IYJXPPQQSNTONK-NRFANRHFSA-N 400.950 4.606 0 40 HJAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 224554580 BIPIOAIXNWLRHG-ZWKOTPCHSA-N 401.944 4.982 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 224579963 FCTIPYRGSNLUHE-XMMPIXPASA-N 424.585 4.570 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 225090400 ZMRLWNUFXQSVOT-SFTDATJTSA-N 424.585 4.829 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 225094325 OBXWDDWZIAICQC-HSZRJFAPSA-N 418.537 4.552 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 225120813 KQFBTOBAQZTGNJ-IFMALSPDSA-N 424.585 4.631 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 225191967 ZFUFXBJBMKALSO-RTBURBONSA-N 414.977 4.913 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 225223988 NDXRGLXCLYJNKD-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB Cc1cc(NC(=S)NCCCSC2CCCCC2)ccc1N1CCCC1=O 225591819 OFHRJGXLJUEYOE-UHFFFAOYSA-N 405.633 4.864 0 40 HJAB C[C@@H](NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC2)n1)c1ccccc1 225957885 AWOFHBVEOCYMMZ-QGZVFWFLSA-N 419.554 4.917 0 40 HJAB Cc1nc2ccccn2c1-c1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn12 227142926 OJGBUGVFTWBJRO-UHFFFAOYSA-N 401.282 4.783 0 40 HJAB CCn1ncc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)c1C 253508549 VKRFPVDWWWRUGS-ONAQXXFSSA-N 410.602 4.889 0 40 HJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3ccccc3F)CC2)n1 257279432 OGPKQTDWTYDSPZ-UAPYVXQJSA-N 404.489 4.690 0 40 HJAB CCC(CC)C(=O)N1CCC[C@@](COc2ccccc2)(CC(=O)N2CCCCC2)C1 257290583 QDMVTGUYKJOZIQ-RUZDIDTESA-N 414.590 4.513 0 40 HJAB CC(C)C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N2CCCC2)CC1 257324270 WNXMZGRYTCKEDU-UHFFFAOYSA-N 424.610 4.845 0 40 HJAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(Br)cc2)S1 408814606 RRWSQUICKOSRFH-UHFFFAOYSA-N 404.309 4.529 0 40 HJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)cc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409097545 OCRKKJGLKSIYKH-RVZJWNSFSA-N 402.844 4.865 0 40 HJAB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OC(F)F 409356119 FMHZOZPOWIOCEL-ATVHPVEESA-N 405.422 4.576 0 40 HJAB O=C(Nc1ccc(SCCc2ccc3c(c2)CCO3)nc1)c1c(F)cccc1F 524733055 PIZNTFPFKNYQSC-UHFFFAOYSA-N 412.461 4.882 0 40 HJAB Cc1ccccc1CC(=O)N1Cc2ccccc2NCC[C@H]2CC[C@@H](C1)N2C(C)C 643576125 PXQKCTAKRSIENH-RPWUZVMVSA-N 405.586 4.623 0 40 HJAB CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]1Oc1ccccc1 1199187847 USVDDTJQZMZRBD-KURKYZTESA-N 412.383 4.591 0 40 HJAB Cc1cc(NC(=O)c2ccccc2Br)ccc1I 705673 XMXYXTXDOUCIFA-UHFFFAOYSA-N 416.056 4.614 0 40 HJAB CCOC(=O)c1csc(CN(C(=O)Nc2ccccc2C(F)(F)F)C(C)C)n1 963565 SSBUUDRMIOBAFI-UHFFFAOYSA-N 415.437 4.781 0 40 HJAB Cc1[nH]c2ccc(-c3nnc(SCC(=O)N4CCc5ccccc54)o3)cc2c1C 1223288 GFHPKNUWIFKXCW-UHFFFAOYSA-N 404.495 4.516 0 40 HJAB CSCC[C@@H](NC(=O)c1ccc(Br)cc1)c1nc2ccccc2[nH]1 2373307 YWMUJPSEEODPPI-MRXNPFEDSA-N 404.333 4.550 0 40 HJAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2)C(=O)NCCC1=CCCCC1 2644099 IBSSVQCDZZOUOA-MSOLQXFVSA-N 420.553 4.912 0 40 HJAB Cc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc(O)c2)cc1 2704527 QGNNASAUWHBAJT-JOCHJYFZSA-N 415.420 4.692 0 40 HJAB COc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 3328658 BXVVZAMVMGTKPY-UHFFFAOYSA-N 410.853 4.967 0 40 HJAB CC[C@H](C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 4217984 QNUJTBFTWXWHMM-SFHVURJKSA-N 414.571 4.548 0 40 HJAB CC1CCN(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)CC1 4223200 RKYBMCOSMIXPHQ-UHFFFAOYSA-N 421.488 4.612 0 40 HJAB CCCCn1c(SCC(=O)c2ccccc2OC)nnc1-c1ccc(OC)cc1 4242001 BXMGXEPQOSZEJN-UHFFFAOYSA-N 411.527 4.737 0 40 HJAB CCCCOc1ccc(C(=O)N/C(=C/c2ccc(OC(C)C)cc2)C(=O)NCC)cc1 4652713 QWTUABUVNZCYTF-HAVVHWLPSA-N 424.541 4.560 0 40 HJAB O=C(Nc1ccccc1Cl)c1cc2ccc(O)cc2o/c1=N\Nc1ccccc1 4680168 WZWHNKJLHAWSNB-ROMGYVFFSA-N 405.841 4.972 0 40 HJAB COc1cc(SC)ccc1C(=O)NC(C)(C)COC12CC3CC(CC(C3)C1)C2 4727779 LCEUTFMNLWAYQK-UHFFFAOYSA-N 403.588 4.911 0 40 HJAB Cc1cc(C(=O)CSc2nccn2-c2cccc(F)c2)c(C)n1C[C@@H]1CCCO1 5264017 XUPDKBMXIODYPY-IBGZPJMESA-N 413.518 4.584 0 40 HJAB Cc1oc(C(=O)N2CCC[C@@H]2C(=O)O)cc1COc1ccc(-c2ccccc2)cc1 5532422 KKCOIEOFSXVUQW-OAQYLSRUSA-N 405.450 4.523 0 40 HJAB CCCCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc(Cl)c2)cc1 5597236 OQVHVOMEFINSSY-LJQANCHMSA-N 411.976 4.955 0 40 HJAB COc1ccc(C2=N/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C(=O)O2)cc1 5744569 PNRCLMMDHHIIMT-HYARGMPZSA-N 403.409 4.758 0 40 HJAB Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@H](c1ccc(Cl)cc1)SC(N)=N2 5852563 USKWMDLUGKCETH-INIZCTEOSA-N 417.321 4.969 0 40 HJAB Cc1cccc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)c1C 6083844 JROGSILVTIJQSD-UHFFFAOYSA-N 410.297 4.951 0 40 HJAB O=C(COC(=O)CCSc1ccc(Cl)cc1)Nc1ccccc1OC(F)F 6946895 KQQYDNSKTYRNND-UHFFFAOYSA-N 415.845 4.606 0 40 HJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 7080122 HYJJDAADVDNMIV-KRWDZBQOSA-N 400.482 4.952 0 40 HJAB Cc1cc(C)cc(-c2nnc(SCc3nc4ccc(Cl)cc4n3CCO)o2)c1 7127919 GIYFVBKKGSLMBY-UHFFFAOYSA-N 414.918 4.641 0 40 HJAB Cc1nc2sccn2c1C(=O)c1ccc(NC(=O)/C=C/c2ccccc2F)cc1 9367239 XCRBPVXNTZSETE-DHZHZOJOSA-N 405.454 4.726 0 40 HJAB COC(=O)c1ccc(C)c(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)c1 9631798 ZOJOEEYGKYSBTE-UHFFFAOYSA-N 418.824 4.580 0 40 HJAB Cc1cccc(-n2c(C)nnc2SCC(=O)N2CC[C@H](C)Sc3ccccc32)c1 9847210 BFAKLAIYNSQGCG-INIZCTEOSA-N 424.595 4.894 0 40 HJAB Cc1ccc(N2C(=O)N(Cc3cccc(F)c3)c3ccccc3S2(=O)=O)cc1F 10273479 RGZVECOOVAPAID-UHFFFAOYSA-N 414.433 4.609 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2Cl)cc1 10978121 QRUMDKRZLWJVJX-LBPRGKRZSA-N 412.711 4.757 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 12137235 PNPKYJGGZPNPAX-OALUTQOASA-N 402.494 4.892 0 40 HJAB Cc1ccc(Oc2ccccc2NC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1 12765019 MPJFMQFQKQQXRD-UHFFFAOYSA-N 409.507 4.898 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C)C2)c2ccccc12 12856266 QYHQXMZIYNIIKE-GOSISDBHSA-N 402.494 4.648 0 40 HJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)c3ccc(F)cc3)c2n1 13148998 WNOATXWFTAGMQL-UHFFFAOYSA-N 422.239 4.794 0 40 HJAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cccc2cccnc12 13151729 GAUMHFVRBYEQAU-ULBZPVTCSA-N 402.453 4.631 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(NC(=O)c2cccs2)c1 15267126 BYYIPTJRVFRPLZ-UHFFFAOYSA-N 400.843 4.635 0 40 HJAB CC(=O)N(C)C1CCC2(CC1)CN(Cc1cccc(Cl)c1)Cc1ccccc1O2 19016359 RARTZSCMLLQMNQ-UHFFFAOYSA-N 412.961 4.894 0 40 HJAB Fc1cccc(Nc2noc3c2CN(Cc2ccccc2OC[C@H]2CCCO2)CC3)c1 19349335 XAVTZGHQQZEGKN-HXUWFJFHSA-N 423.488 4.673 0 40 HJAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nnc3n2CCCCC3)CC1 19374109 HWMSFRRTQGOBRK-UHFFFAOYSA-N 400.526 4.691 0 40 HJAB Cc1cccnc1N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O 19939516 WFOGCQNEPSVXSQ-OAQYLSRUSA-N 416.447 4.682 0 40 HJAB CC(=O)c1sc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)nc1-c1ccccc1 21843549 ORCAEIWDNYSJSV-KRWDZBQOSA-N 422.506 4.823 0 40 HJAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1-c1ncc(-c2ccccc2)o1 22836938 DUJKFZJHTOYXTG-GOSISDBHSA-N 412.445 4.578 0 40 HJAB CC1CCN([C@@H](c2ccccc2F)c2sc3nc(-c4ccco4)nn3c2O)CC1 22852107 CVCOZPUTGUPQMY-KRWDZBQOSA-N 412.490 4.717 0 40 HJAB Cc1ccc(NC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)cc1 23126780 YLIUQVSXRZFAOI-UHFFFAOYSA-N 409.898 4.726 0 40 HJAB COCc1cccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1 30846802 TXQMPZNKVNQWEH-UHFFFAOYSA-N 418.419 4.808 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 30944210 IYYAKEZLNGMNJO-QHCPKHFHSA-N 402.513 4.944 0 40 HJAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)N[C@H](c1ccccc1)C1CCCCC1 32379817 DYXRRJFVRDNOCL-OAQYLSRUSA-N 405.947 4.552 0 40 HJAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)Cc1cccs1 32610633 LLPYCHCVZOXPAC-UHFFFAOYSA-N 409.433 4.798 0 40 HJAB O=C(CCN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1Cl 32870827 FXFQYEQSGDBJFS-SFHVURJKSA-N 421.324 4.930 0 40 HJAB CCOc1cccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(C)cc4)o3)n2)c1 38487040 ZQGVIGWCEHFCKV-UHFFFAOYSA-N 424.478 4.678 0 40 HJAB Cc1cccc(C)c1-n1cnc2nc(N3c4ccccc4C[C@@H]3C)[nH]c(=O)c2c1=S 40385785 WGCXHRWWTFVVID-HNNXBMFYSA-N 415.522 4.538 0 40 HJAB Cc1cc2nc(CSc3ccc(NC(=O)CCC4CCCC4)cc3)cc(=O)n2o1 41089749 RPQVSABIYDTVSO-UHFFFAOYSA-N 411.527 4.797 0 40 HJAB COc1ccc(C2=CCN(C(=O)c3cnn(Cc4ccccc4Cl)c3)CC2)cc1 49275382 YFXLJXACKHWJGR-UHFFFAOYSA-N 407.901 4.523 0 40 HJAB COc1cc(C)c(CN2[C@H]3CC[C@@H]2c2cnc(N4CCC[C@H](C)C4)nc2C3)cc1C 57761857 YVELKOSVTCBXGK-ITSWEJNFSA-N 406.574 4.600 0 40 HJAB COc1ccc2nc(C)c(C(=O)Nc3ccc(Sc4nccn4C)cc3)cc2c1 58382287 VEOVKNXKMHPFER-UHFFFAOYSA-N 404.495 4.689 0 40 HJAB O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1Cc1ccccn1 67259370 ADKOUURLLRWCEU-UHFFFAOYSA-N 411.889 4.925 0 40 HJAB CCCCOCCN(Cc1nnc(SC)s1)c1cccc(Br)c1 72289500 YFQMICSLOXQSBU-UHFFFAOYSA-N 416.410 4.846 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1cccs1 72330403 MIDQHRPLLIVPRJ-AVRDEDQJSA-N 409.530 4.666 0 40 HJAB COc1c(C)cccc1C(=O)N1CCC[C@@H]1c1cccc(Nc2nc(C)cs2)n1 72375701 IFDIAFYKPUMRPG-GOSISDBHSA-N 408.527 4.884 0 40 HJAB C[C@H]1c2cc(Cl)cc(Cl)c2CCN1c1ccc2nnc(C(F)(F)F)n2n1 79096261 XCTGHLKNOGTIIH-QMMMGPOBSA-N 402.207 4.574 0 40 HJAB Cn1cc(C[C@@H]2CCN(C(=O)Nc3sc(C4CC4)nc3-c3ccccc3)C2)cn1 95430192 PLYHBOVLBKPEPC-HNNXBMFYSA-N 407.543 4.518 0 40 HJAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 102093642 VWUDQRBJMAYMFX-HVFKHUKCSA-N 409.869 4.840 0 40 HJAB COc1ccc(CN2C(=O)/C(=C\N[C@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3C2=O)cc1 103004350 OBOIWTUNSQCWPD-FQDJJDQVSA-N 418.537 4.633 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@H]2C[C@H](C)CC[C@H]2C1=O 136694035 FWBRIGFKXOWWDM-QBIMZIAESA-N 410.901 4.826 0 40 HJAB CC(C)CS(=O)(=O)C1CCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1 206754055 SHFLFYLCDRCHFT-UHFFFAOYSA-N 421.647 4.957 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C)cc1 222532239 QSLFXCRYXNJKKM-YKSBVNFPSA-N 424.585 4.658 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 222995675 XTDVDXVVIQEWNK-QHCPKHFHSA-N 408.586 4.779 0 40 HJAB CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223416841 VFEHIWNARWPETC-OAQYLSRUSA-N 400.950 4.838 0 40 HJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccc(C)cc1 223495018 OPEHLDGDKBXAOM-LEYFIJQKSA-N 402.494 4.935 0 40 HJAB Cc1cc(C(=O)Nc2ccccc2F)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224004916 ZATWZGOEUPLOKZ-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CC(C)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 224081127 NEKNTGITUXMEHG-UHFFFAOYSA-N 408.523 4.541 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 224257655 YBSZOIYDTCZYPU-JOCHJYFZSA-N 412.599 4.562 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)cc1 224698447 KAAFBPJURUFXHM-NRFANRHFSA-N 406.570 4.712 0 40 HJAB CCCCOCc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1OCC 224730438 DTEGLVDAQXVGQW-UHFFFAOYSA-N 414.521 4.504 0 40 HJAB O=C(Nc1ccc(OCCN2CCCCCC2)cc1)C1(c2ccccc2)CCOCC1 225561483 DYDOJJFZEQQFKB-UHFFFAOYSA-N 422.569 4.628 0 40 HJAB O=C(COc1cccc(C(F)(F)F)c1)NCCSCc1ccccc1Cl 225809858 DBRGGLJMLFDHCF-UHFFFAOYSA-N 403.853 4.787 0 40 HJAB Cc1cccc(C)c1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 408736595 DHKKLOVCNMOHIZ-GHTZIAJQSA-N 412.530 4.741 0 40 HJAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cccc(C)c1 409338340 ICPSAHJUIGEAEM-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB C[C@@H]1Oc2ccc(NC(=O)NCc3ccc(Oc4ccccc4)cc3)cc2NC1=O 522234586 UGGJUDLKZXXHLG-HNNXBMFYSA-N 403.438 4.520 0 40 HJAB COc1ccc(Cl)cc1NC(=O)N1[C@H]2CC[C@H]1CC(n1cc(C(C)(C)C)nn1)C2 1775976315 YRBMQRMVRCCXIY-GJZGRUSLSA-N 417.941 4.638 0 40 HJAB CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc(C)c1C 649373 OJEBCVDRIMFNLH-UHFFFAOYSA-N 423.586 4.875 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 677335 GUVOLRIOZNXHEM-UHFFFAOYSA-N 400.482 4.870 0 40 HJAB COc1ccc2c(c1OC)[C@H](CC(C)=O)N(C)c1c-2ccc2cc3c(cc12)OCO3 900902 VGTQLFWIJIABSU-SFHVURJKSA-N 405.450 4.723 0 40 HJAB biogenic,in-vitro CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1CCCCCC1 937110 MWLBRKMFJPTGRP-UHFFFAOYSA-N 400.544 4.715 0 40 HJAB COc1cccc(OC)c1C(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 952289 RVPRSONFWHUKSJ-UHFFFAOYSA-N 402.402 4.696 0 40 HJAB biogenic Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)c1ccc(F)cc1 2375561 VLPDIOSPAUAETQ-UHFFFAOYSA-N 411.440 4.953 0 40 HJAB Cc1cc(C)c2nc(NC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)sc2c1 2630614 DAQRPESQUQFCGO-UHFFFAOYSA-N 418.522 4.602 0 40 HJAB COc1ccc(-c2cc(C(=O)OCC(=O)N(C(C)C)C(C)C)c3ccccc3n2)cc1 2631745 BZLIRTVSSZZWBW-UHFFFAOYSA-N 420.509 4.713 0 40 HJAB FC(F)c1cc(C(F)F)n2nc(-c3nnc(Cc4cccc(Cl)c4)o3)cc2n1 2803698 LNNPZMDYGRPKFO-UHFFFAOYSA-N 411.746 4.899 0 40 HJAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(C)(C)C 3397402 PEMOQDFKKHXSMI-UHFFFAOYSA-N 412.349 4.946 0 40 HJAB Cc1cc(C)c(S(=O)(=O)NCCc2sc(-c3cccc(F)c3)nc2C)c(C)c1 5137231 AQBDVQIGDKKGRB-UHFFFAOYSA-N 418.559 4.704 0 40 HJAB CC1(C)Cc2c(c(N3CCCC3)nc3sc(C(=O)c4ccccc4)c(N)c23)CO1 5204509 UTTIZKWJBCNJFJ-UHFFFAOYSA-N 407.539 4.561 0 40 HJAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N[C@H](C)CCc3ccccc3)n2)cc1 6214804 YMSQJZPUWYNOPB-SJORKVTESA-N 408.571 4.652 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(I)cc1 6289087 SNIZUASAYJYFIN-UHFFFAOYSA-N 413.258 4.811 0 40 HJAB O=C(NC1CC1)c1ccccc1NC(=O)c1ccccc1OCc1ccc(F)cc1 7717738 AQYWKXVSMRTEHP-UHFFFAOYSA-N 404.441 4.549 0 40 HJAB CC(C)CNC(=O)COC(=O)c1oc2ccccc2c1CSC1CCCCC1 7780471 LFHUMULTRWLNLB-UHFFFAOYSA-N 403.544 4.928 0 40 HJAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cc(OC)c(OC)cc2C)CC1=O 8327691 OZRWBNVNWMGDDY-DOTOQJQBSA-N 410.514 4.517 0 40 HJAB CCCOc1c(Br)cc(CNCc2ccccc2OC)cc1OCC 8395390 ANZAQJHSJFOTDI-UHFFFAOYSA-N 408.336 4.935 0 40 HJAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cc(Cl)ccc3C)C(=O)[C@@H]2C1 8473218 UFDRJCFWCASCPL-SJLPKXTDSA-N 408.885 4.746 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1C 8480924 QAGMIIXRTGBQJO-HXUWFJFHSA-N 416.521 4.682 0 40 HJAB COc1ccccc1NC(=O)N(Cc1ccc(C)cc1)c1nnc2n1CCCCC2 8550070 OSGRFENNHJLPCN-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB CCOC(=O)Cc1csc(NC(=O)c2ccccc2Nc2cccc(C)c2C)n1 11639904 CXLQJEQVDPOPQQ-UHFFFAOYSA-N 409.511 4.861 0 40 HJAB O=C(C1CC1)N1CCC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 12257460 QOHZDASQYUPZMH-ZDUSSCGKSA-N 420.460 4.593 0 40 HJAB CC(=O)NC1(c2ccccc2F)CCN(Cc2cn(C(C)C)c3ccccc23)CC1 12328198 SPQWUGJHGPUSFB-UHFFFAOYSA-N 407.533 4.989 0 40 HJAB Cc1ccccc1NC(=O)c1nnn(Cc2nc(-c3cccc(Cl)c3)oc2C)c1C 12414685 BREXDFSCHUPGAO-UHFFFAOYSA-N 421.888 4.812 0 40 HJAB O=C(NCCSCc1ccccc1F)c1ccccc1CSC1=NCCS1 12798871 VHKNORWZJRRIAP-UHFFFAOYSA-N 420.600 4.825 0 40 HJAB Cc1noc(C)c1C(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 12873670 XPRQAFOCMDOKQS-UHFFFAOYSA-N 403.463 4.898 0 40 HJAB CCCCC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(C(C)C)c1ccccc12 13635265 NOSGXUMOTHGFBK-SANMLTNESA-N 415.537 4.741 0 40 HJAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)/C=C/c3ccco3)cc2)c1C 14405338 BGXOQINIMRKBKV-OUKQBFOZSA-N 406.486 4.797 0 40 HJAB O=C(Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S)Nc1ccc(Cl)cc1 16777963 WYIYXAISNNQODC-UHFFFAOYSA-N 415.950 4.867 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)c4cccc(C)c4OC)cc3n2)cc1Cl 17093305 HMUWKDZHRAIAIO-UHFFFAOYSA-N 422.872 4.652 0 40 HJAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(OC)c(Cl)c2)cc1 17094143 FJHYUJSRITWBFY-UHFFFAOYSA-N 424.884 4.767 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCCC2)C1 19449127 GCJGRFIWOCDLOD-RUZDIDTESA-N 424.610 4.891 0 40 HJAB CC(C)O[C@@H]1c2ncc(-c3ccccc3)cc2Sc2nc(-c3cccnc3)nn21 19450386 WBSAAHKYRJIBID-OAQYLSRUSA-N 401.495 4.839 0 40 HJAB Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)CCc4ccccc4)C3)noc2n1 19568648 YKRFTQOPMJGMFX-INIZCTEOSA-N 417.431 4.889 0 40 HJAB CC[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(OC)cc1 20458215 BWSLGFOTVWPOHG-MRXNPFEDSA-N 412.711 4.757 0 40 HJAB CCc1nc2sc([C@@H](c3ccc(Cl)cc3Cl)N3CCCCC3)c(O)n2n1 22853131 MNPNSXBOFSEHNU-OAHLLOKOSA-N 411.358 4.941 0 40 HJAB Cc1ccc(-c2nc(CSc3nnc(-c4ccccc4Cl)n3N)co2)c(C)c1 23077692 DKZWUPWVPFPTHL-UHFFFAOYSA-N 411.918 4.876 0 40 HJAB COc1ccc(CN(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 30946090 SRHWQESZUAZFKL-GOSISDBHSA-N 421.368 4.873 0 40 HJAB CC(C)c1c(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cnn1-c1ccc(Cl)cc1 32466312 MXVFNSNMYPBWOP-UHFFFAOYSA-N 410.905 4.603 0 40 HJAB COc1cccc(C(=O)Nc2nn(Cc3ccccc3Cl)cc2Cl)c1OC 32647516 HRCBZVQOXIBOGG-UHFFFAOYSA-N 406.269 4.508 0 40 HJAB CCOC(=O)c1cc(CC)sc1NC(=O)Cc1csc(-c2cccs2)n1 32740663 NWQYGYSTYMEUJF-UHFFFAOYSA-N 406.554 4.853 0 40 HJAB C[C@H]1Oc2ccc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc2NC1=O 32772805 VDQFGILVSTUUDQ-VFNWGFHPSA-N 404.491 4.878 0 40 HJAB COCn1nc(C)c(NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c1C 36617847 PMGPKWQENSZJPX-UHFFFAOYSA-N 416.525 4.976 0 40 HJAB CCn1ccc(-c2cc(C(=O)N3CCC[C@H](C)C3)c3c(-c4ccccc4)noc3n2)n1 36618397 SJULROJSOKXYEG-INIZCTEOSA-N 415.497 4.645 0 40 HJAB COCCOc1ccc(CNC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 40134215 NDJPMFUJGSFIHE-UHFFFAOYSA-N 424.111 4.650 0 40 HJAB Cc1ccc(C)c(NC(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)c1 40134460 ITLRVNHFKKFHNC-UHFFFAOYSA-N 402.420 4.701 0 40 HJAB O=c1[nH]c(Nc2ccc(Oc3ccccc3)cc2)nc2nccc(-c3ccccn3)c12 40373023 YIZOJFQRQCVAFQ-UHFFFAOYSA-N 407.433 4.916 0 40 HJAB CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 45767920 RUOYVROGPDHYGU-VQTJNVASSA-N 405.325 4.924 0 40 HJAB FC(F)(F)CN1CC[C@H](CNCc2sc(Sc3ccccc3)nc2Cl)C1 48277614 WRCURZBKSLMNSQ-GFCCVEGCSA-N 421.941 4.922 0 40 HJAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccccc2C(C)C)c(=O)c1C 57528293 GVECLYHUYJKWJF-UHFFFAOYSA-N 409.917 4.943 0 40 HJAB COc1ccc(N(C)C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cn1 58270653 PNPXOVKXIMCKRK-UHFFFAOYSA-N 418.884 4.873 0 40 HJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(Cl)c2)nc1 67294336 BOJJAVHLICICPX-LVWGJNHUSA-N 405.841 4.980 0 40 HJAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(-c4noc(C(C)(C)C)n4)cc3)cc2NC1=O 69373333 UBGRNFNPWLMPMF-LBPRGKRZSA-N 422.510 4.719 0 40 HJAB COc1ccc2cc(/C=C3\SC(=O)N=C3Nc3cccc(Cl)c3)c(=O)[nH]c2c1 72401527 POJCPWBUTKNLAD-IUXPMGMMSA-N 411.870 4.908 0 40 HJAB O=C(C[C@H]1CC2(CCN(C(=O)CC3CCCC3)CC2)Oc2ccccc21)NC1CCC1 96243168 SBLCCSAZOGGQRG-FQEVSTJZSA-N 424.585 4.553 0 40 HJAB Ic1ccc(N(Cc2ccccc2)Cc2ccccc2)nc1 96308602 IMOZVWCJRGXVCL-UHFFFAOYSA-N 400.263 4.893 0 40 HJAB C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N[C@@H]1CCCC[C@@H]1C 105657175 HZLFPOLILMWHIK-OUJBWJOFSA-N 420.888 4.577 0 40 HJAB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O 214179785 UMJURWZRYFKIDI-GIJQJNRQSA-N 419.886 4.602 0 40 HJAB CC[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 219131473 RUOMAQDGYPTOSC-XMMPIXPASA-N 421.562 4.880 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)(C)C 222710802 CKWFHNSTBWBQPP-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB CCCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222844733 NYRYSEQKBIZVJV-IBGZPJMESA-N 414.977 4.996 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccccc1 223563799 VNCBEUVPWOMCNN-JOCHJYFZSA-N 412.599 4.893 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 223654870 KNUHBNKVPQBXEV-DEOSSOPVSA-N 408.586 4.878 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 223673884 AYYUUJCXMMJKTM-GOSISDBHSA-N 408.523 4.595 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)c1 223804893 ADUPTUCVWJRWON-GOSISDBHSA-N 412.961 4.667 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 224095518 XGEYLFVPNUSDES-FQEVSTJZSA-N 418.990 4.766 0 40 HJAB COc1ccc(OCc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2OC)cc1 224262584 SJVKGKXJTPFHHP-UHFFFAOYSA-N 411.885 4.866 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC1CCCCC1 224704272 BHUBRHXBNGMIBQ-OAQYLSRUSA-N 406.570 4.712 0 40 HJAB CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1COCC(C)C 224743222 WLOMGIIACKCNRT-UHFFFAOYSA-N 424.585 4.837 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 225194774 ZDSBUKMCKMGQDS-MOPGFXCFSA-N 414.977 4.831 0 40 HJAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 239328956 JWMCNGZAHWTGLW-PWXYAVEVSA-N 412.508 6.375 0 40 HJAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)sc1C 248054593 UAUVVJVLCOXNEP-UCQMYNMFSA-N 416.612 4.553 0 40 HJAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)cc4OC)OCC[C@@]31C2 257251885 JSSDXKRADWFDRP-RURXJXAMSA-N 401.547 4.503 0 40 HJAB O=C(c1ccccc1Cn1cccn1)N1CCC[C@@H](Cc2cccc3ncccc23)C1 257320515 VXEIESMXZFYUSQ-FQEVSTJZSA-N 410.521 4.575 0 40 HJAB Cc1nnc(S/C(=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)C(=O)O)o1 408632104 VYRBWOMAAGPBRF-MFOYZWKCSA-N 420.849 4.967 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)cc1 408688795 XPDZYEGXLUZBAA-YADHBBJMSA-N 416.521 4.909 0 40 HJAB CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)CC1 408708792 STIPOLLFLFKVNW-HDYDNRTBSA-N 414.590 4.938 0 40 HJAB CCOc1ccc(OCc2ccc(C(=O)N[C@H](C)c3cn(CC)nc3C)cc2)cc1 1018974 PBXLDWVWXZQLPJ-QGZVFWFLSA-N 407.514 4.680 0 40 HJAB C[C@H]1CCCCN1C(=O)CSc1nc(C2CC2)nc2sc3c(c12)CCCC3 1332758 SWXDTUIOJMRELR-ZDUSSCGKSA-N 401.601 4.941 0 40 HJAB Cc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C(=O)c2ccncc2)cc1 1366567 CJHFMPGKVHTYFM-UHFFFAOYSA-N 411.505 4.691 0 40 HJAB Cc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(F)cc4)n12)CCCC3 1372281 WQDCLLFGYQTMSK-UHFFFAOYSA-N 412.515 4.640 0 40 HJAB Cc1ccc2c(c1)cc(CN(Cc1cccs1)C(=O)c1cccs1)c1nnnn12 1376992 BXZUYAVGQONSRY-UHFFFAOYSA-N 419.535 4.552 0 40 HJAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NC4CCCC4)c23)C1 1377294 QIVQXEJLKAAWDP-LBPRGKRZSA-N 401.601 4.844 0 40 HJAB O=C(Nc1cccc(Cl)c1)N1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 1380578 NAYQESGLFGJLKP-UHFFFAOYSA-N 423.826 4.973 0 40 HJAB CCCCSc1nc(NCCN(C)C)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2235088 ZYPAUVBNTWBHEZ-FQEVSTJZSA-N 408.637 4.798 0 40 HJAB COc1ccccc1CNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 2631126 ZDIIOUBKRSIUED-UHFFFAOYSA-N 409.486 4.532 0 40 HJAB CCc1ccc(C(=O)c2cn(Cc3ccccc3)c3cc4c(cc3c2=O)OCO4)cc1 2691215 QIIHTNXBGCDRKH-UHFFFAOYSA-N 411.457 4.572 0 40 HJAB Cc1ccc(-n2c(SCC(=O)NC3CCCCC3)nc3ccccc3c2=O)c(C)c1 3235157 NLDMLELPOQRCOP-UHFFFAOYSA-N 421.566 4.544 0 40 HJAB CCc1ccc2nc(NC(=O)c3nc(-n4nc(C)cc4C)ccc3Cl)sc2c1 3324894 CWDYBUPTQQDPSG-UHFFFAOYSA-N 411.918 4.962 0 40 HJAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 3417810 CBDPNGPJWAGVQJ-LJQANCHMSA-N 417.505 4.618 0 40 HJAB CCOC(=O)c1ccc(NC(=O)C2(c3ccc(OC)c(OC)c3)CCCCC2)cc1 4507067 JRHHYBFGTJHACV-UHFFFAOYSA-N 411.498 4.721 0 40 HJAB COc1ccccc1CNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O 4744038 BYOJYWPSCQHHOC-UHFFFAOYSA-N 419.477 4.640 0 40 HJAB CCN(CC)CCN(C(=O)/C=C/c1cccs1)c1nc2ccc(OC)cc2s1 5121814 ZSOFSDPNZBOMOZ-PKNBQFBNSA-N 415.584 4.755 0 40 HJAB CCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 5791945 QMWIFRGRMGOLIY-CKTGMZNUSA-N 400.559 4.998 0 40 HJAB O=C(CSc1nncn1-c1ccccc1)Nc1ccccc1Oc1ccccc1 5860596 LFGMHEJQWKWUJW-UHFFFAOYSA-N 402.479 4.790 0 40 HJAB CCN(CC)S(=O)(=O)c1cccc(-c2n[nH]c(=S)n2C2CCCCCC2)c1 6173359 CGLNCAGLSDLENX-UHFFFAOYSA-N 408.593 4.533 0 40 HJAB Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1NC(=O)c1ccco1 6507623 JVQFRXRWGGQAKL-UHFFFAOYSA-N 404.451 4.611 0 40 HJAB Cc1ccc2nc(-c3ccccc3)c(Cn3nc(-c4ccncc4)n(C)c3=S)n2c1 6908978 YMHGOXVQJDOQKX-UHFFFAOYSA-N 412.522 4.685 0 40 HJAB Cc1ccc(CSCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 7407358 JSCWJZJNKXZEGZ-UHFFFAOYSA-N 406.555 4.852 0 40 HJAB COc1ccc(Cl)cc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 7655430 OZYAKURDBOMIIE-LJQANCHMSA-N 408.885 4.849 0 40 HJAB CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 7928763 NQEHHBTZEAGACA-HUUCEWRRSA-N 401.890 4.821 0 40 HJAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1nc(-c2ccc[nH]2)cs1 8325256 KJBXBJDFVZAEPR-UHFFFAOYSA-N 405.479 4.735 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 8471284 MUGSEMMQLPBUMZ-UHFFFAOYSA-N 408.841 4.631 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 8557486 MHOYDFDZGPYNOI-UHFFFAOYSA-N 406.482 4.525 0 40 HJAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2cccc(Cl)c2C)o1 8571651 BCAAMPBRIVVQKA-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(-c2cccnc2)nc2ccccc12 8706956 ZNDNIKLHUKYYSM-UHFFFAOYSA-N 408.461 4.676 0 40 HJAB O=Cc1cc(Br)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 9236024 FKFLXNLVBBBNKG-UHFFFAOYSA-N 403.059 4.586 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1C=O)C(=O)Nc1cccc(C(F)(F)F)c1 9316776 GSBHMGGLDPHNFM-SNVBAGLBSA-N 416.193 4.686 0 40 HJAB COc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1OC 9553738 MJEFNCWLFGVDAO-LCUIJRPUSA-N 400.434 4.935 0 40 HJAB Cc1cc2nnc(S[C@@H](C)C(=O)Nc3ccc(F)c(F)c3F)n2c2ccccc12 9639211 VUNIPPGCFWJGDB-NSHDSACASA-N 416.428 4.728 0 40 HJAB Cc1cc(NC(=O)CSc2nnc(Nc3ccccc3)s2)n(-c2ccccc2)n1 9781445 MDJABPVYNLWDGQ-UHFFFAOYSA-N 422.539 4.507 0 40 HJAB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)Cc3cccs3)n2)cc1 12442191 DRCGDKRVMLDBIA-UHFFFAOYSA-N 424.551 4.946 0 40 HJAB CSc1ncc(C(=O)NCCc2ccc(C(F)(F)F)cc2)n1-c1ccc(F)cc1 12525156 MFAYHGYTVHCZQZ-UHFFFAOYSA-N 423.435 4.725 0 40 HJAB O=C(CSc1nnc(COc2ccc(Br)cc2)o1)c1ccc(F)cc1 12705733 QDDFAVLDISXJPX-UHFFFAOYSA-N 423.263 4.525 0 40 HJAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 13058932 PDVNNCGIPCBZPK-KRWDZBQOSA-N 424.570 4.986 0 40 HJAB COc1ccc(C(=O)Nc2nc(-c3c(C)n(C)c4ccc(OC)cc34)cs2)cc1 13550438 PMBSDGRSULQQPE-UHFFFAOYSA-N 407.495 4.880 0 40 HJAB C=C(OC)c1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc1 16189520 VJURPWYKDKUWME-FYJGNVAPSA-N 418.424 4.796 0 40 HJAB O=C1c2cccc3cccc(c23)C(=O)N1CCCc1nnc(Nc2ccccc2)s1 16779486 VMDNSTZGAGJRSA-UHFFFAOYSA-N 414.490 4.664 0 40 HJAB CCc1c(C)sc2nc(S)n(-c3ccc(OC(F)F)c(Cl)c3)c(=O)c12 17082565 HYBNWTFSZYVCSW-UHFFFAOYSA-N 402.875 4.862 0 40 HJAB COc1ccc(OC)c(N/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)c1 18155434 RKDQLWZLTXISTQ-RCCKNPSSSA-N 414.461 4.652 0 40 HJAB CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccccc3F)CC2)n1 19084749 UWYATQUQCXPPEL-UHFFFAOYSA-N 418.516 4.995 0 40 HJAB Cc1ccc([C@H](NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2cccnc2)cc1 19136608 YAOHJBWZVWQMDB-DEOSSOPVSA-N 400.522 4.652 0 40 HJAB CCn1ncc(-c2cc(C(=O)N3CCc4sccc4[C@H]3c3ccccc3)no2)c1C 19524042 BBKCKFISOIUHAV-JOCHJYFZSA-N 418.522 4.716 0 40 HJAB COc1ccc(CN2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c(OC)c1 19574879 LVDGQRRNSJYEMK-OMWUSAIZSA-N 424.467 4.545 0 40 HJAB CCN(CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)c3n[nH]c4c3CCCCCC4)c2)C1 19712217 ALJMJJJWRTUXFH-OFNKIYASSA-N 424.589 4.883 0 40 HJAB CCc1ccc(-c2csc(NC(=O)C[C@H](NC(C)=O)c3cccs3)n2)s1 21447973 AQSZTSWDETXAEB-ZDUSSCGKSA-N 405.570 4.702 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccn3)no2)cc1 22459851 LWQWQXQVIVJMMP-UHFFFAOYSA-N 400.438 4.838 0 40 HJAB O=C(Nc1ccc(OC(F)F)cc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 24097298 URUPMFFSZBQJPO-UHFFFAOYSA-N 415.362 4.557 0 40 HJAB CC(C)CNC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1Cl 29761766 GLMGBPWSPDGOMT-UHFFFAOYSA-N 409.711 4.741 0 40 HJAB CC(C)Oc1cccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)c1 33088705 ZOGYOFGKNJJHRE-UHFFFAOYSA-N 422.506 4.532 0 40 HJAB O=C1CCCc2[nH]c(=O)c(C(=O)Nc3ccccc3SCc3ccsc3)cc21 36390739 FWNLZFRQJWYVOA-UHFFFAOYSA-N 410.520 4.500 0 40 HJAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1SC[C@H]1CCCO1 40013518 XBDVXWBEOUGWJM-IRLDBZIGSA-N 410.583 4.525 0 40 HJAB C[C@H](N[C@H](C)C(=O)Nc1ccc(F)cc1Cl)c1ccc(NC(=O)C2CC2)cc1 40071798 YHHFJWJXAQXAGB-QWHCGFSZSA-N 403.885 4.505 0 40 HJAB CN([C@@H](c1ccccc1)c1ccccn1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 40135511 PGAVVDBVRYGKDM-IBGZPJMESA-N 406.429 4.511 0 40 HJAB Cc1cc(OCC(=O)Nc2cc(Cl)ccc2Cl)nc(-c2ccc(F)cc2)n1 49006939 WVRGWTHKKGDWGC-UHFFFAOYSA-N 406.244 4.915 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(I)cc2C)cc1C 64982602 CQFXSBYGUUFISY-CQSZACIVSA-N 409.267 4.622 0 40 HJAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C)c4)nccn3n2)cc1 67290366 VYRBOWAKRIEIME-UHFFFAOYSA-N 418.522 4.834 0 40 HJAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCN(CC(=O)Nc3ccccc3F)C2)n1 72374734 MDOLJJXJPSRWFF-FQEVSTJZSA-N 421.491 4.687 0 40 HJAB CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)Nc1nnc(C2CC2)s1 72404173 HSWYMDPQTKEGSJ-ZDUSSCGKSA-N 412.342 4.873 0 40 HJAB Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F 95458911 LXGKBWUIUDEEBH-FXAWDEMLSA-N 407.480 4.831 0 40 HJAB COC(=O)C[C@@H](c1ccsc1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96114000 PWSHPGSHAZDNME-HNNXBMFYSA-N 422.458 4.628 0 40 HJAB biogenic Cc1ccc(NC(=O)[C@@]23C(=O)Oc4ccccc4[C@H]2[C@@]3(C)C(=O)c2ccccc2)cc1 100150363 ZCAFZRHANIOLSM-OUIFVKKZSA-N 411.457 4.526 0 40 HJAB COc1ccccc1CN1[C@@H]2CCC[C@@H]1CC(NC(=O)C13CC4CC(CC(C4)C1)C3)C2 100425974 KWPSSTUSOWDMBM-YLRFYHFBSA-N 422.613 4.913 0 40 HJAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C1CC1)[C@H](C)c1ccc(Cl)cc1 107089698 SHUCLUKNTYWAJZ-JKSUJKDBSA-N 411.933 4.629 0 40 HJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219034085 COEHTDHPDHTJOZ-CQSZACIVSA-N 407.857 4.627 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 222856286 CZIIHVDBNOQPET-LIRRHRJNSA-N 403.906 4.843 0 40 HJAB COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 222857440 KRUWPAASGAITQU-LEWJYISDSA-N 421.522 4.509 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 223027915 YSTYXFKEQIAZHN-DLBZAZTESA-N 418.990 4.764 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 223144378 VDXWOERTXLKBBN-KRWDZBQOSA-N 418.990 4.766 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 223629622 OCBLTYKQPRTOQK-QHCPKHFHSA-N 424.585 4.577 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H](C)c3ccccc3)c2C)cc1 224080858 XHBALEILRCHIAY-GOSISDBHSA-N 422.550 4.638 0 40 HJAB CCc1ccc(CC)c(CNC(=O)COc2ccc(Br)cc2Cl)c1 225558083 LLEYCBYTYDNGNH-UHFFFAOYSA-N 410.739 4.923 0 40 HJAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cn(C)c3ccccc23)C1 257283685 OZJKIJXVMAEPKQ-MRXNPFEDSA-N 403.551 4.742 0 40 HJAB Cc1cccc(Nc2cccc([C@@H]3CN(Cc4ccnc5ccccc45)CCO3)n2)n1 257295246 QXORAKGICRSCTQ-QHCPKHFHSA-N 411.509 4.650 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1C 408584601 RUUFNICTBOOOCW-UHFFFAOYSA-N 401.532 4.512 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 408639822 GDRPNJNPACXYBW-WIYYLYMNSA-N 422.525 4.582 0 40 HJAB Cc1cc(C)c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(C)c1 408928779 INNRXWSVXGGQHJ-RGVLZGJSSA-N 408.523 4.904 0 40 HJAB COc1cccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)c1 409158075 KCDFRYIJDLQFQS-UHFFFAOYSA-N 413.499 4.511 0 40 HJAB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1 686623 PFEJZUVPWYMOLI-UHFFFAOYSA-N 410.543 4.731 0 40 HJAB CC(C)(C)c1ccc(-n2nc(C(=O)Nc3ccccc3Cl)s/c2=N\C#N)cc1 983982 SLLYWGNUFXKKSD-NMWGTECJSA-N 411.918 4.519 0 40 HJAB O=S(=O)(c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccs1 988409 CVRLYDUOPGOQDM-GOSISDBHSA-N 402.928 4.942 0 40 HJAB COc1ccc2cc(CN(C(=O)Nc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c2c1 1327494 DNSXBMWSHMRYSP-UHFFFAOYSA-N 409.461 4.653 0 40 HJAB CCOC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2)sc2c1CCC2 1773620 QEMPPFQEHLLDLV-UHFFFAOYSA-N 407.919 4.865 0 40 HJAB CC(C)c1nc2sc3c(NC[C@H]4CCCO4)ncnc3c2c2c1COC(C)(C)C2 2296480 KIXLQVNFMRAEPB-CYBMUJFWSA-N 412.559 4.805 0 40 HJAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccc(Br)cc1 3217085 ARFYOTSHDWQHJX-UHFFFAOYSA-N 424.294 4.841 0 40 HJAB O=C(CSc1nnc(NCc2ccccc2)s1)c1cccc(Br)c1 3221286 JNSZPGVXGRKIPH-UHFFFAOYSA-N 420.357 4.888 0 40 HJAB COC(=O)c1ccc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 3251712 HLLMPRHICDRIGE-UHFFFAOYSA-N 408.837 4.715 0 40 HJAB CSc1nnc(SCC(=O)Nc2nc(-c3ccccc3Cl)cs2)s1 3449210 OGUXXORTLWLPPS-UHFFFAOYSA-N 414.990 4.768 0 40 HJAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccc(F)cc3)N2C1=O 3636828 KWUNAFNQJOCBHJ-ICSRJNTNSA-N 424.497 4.608 0 40 HJAB COc1ccc(CC(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1OC 4063004 OYXIFVULPVSVRF-UHFFFAOYSA-N 405.479 4.557 0 40 HJAB O=C(C[C@H]1Sc2ccccc2NC1=O)OCC(=O)c1ccc(-c2ccccc2)cc1 4547110 DUVUQWZJPRUIAN-JOCHJYFZSA-N 417.486 4.583 0 40 HJAB Cc1ccc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 4555051 BOLNGYVYAKWGHJ-RUZDIDTESA-N 419.908 4.964 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)cc1 4852427 SGZYIACTCDPFDE-UHFFFAOYSA-N 408.527 4.870 0 40 HJAB COc1cc(OC)cc(C2=NC3(CCCCC3)N(C(=O)c3ccccc3)C2=S)c1 4891888 RKKDDBCISBLHBS-UHFFFAOYSA-N 408.523 4.637 0 40 HJAB Cc1ccccc1NCC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 5012210 HPIQNPMXKBVNNT-UHFFFAOYSA-N 416.344 4.855 0 40 HJAB Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccc(Cl)cc1)SCC(=O)N2 5047153 QIRBGZKVSKCRII-CRAIPNDOSA-N 405.951 4.750 0 40 HJAB Cc1sc2nc(CSc3nnc(-c4cccs4)n3C3CC3)[nH]c(=O)c2c1C 5165958 KZAAKAMCENPBSG-UHFFFAOYSA-N 415.569 4.549 0 40 HJAB COc1ccc([C@H](Cc2ccccc2)N(C)C(=O)C(=O)c2c[nH]c3ccccc23)cc1 5345945 OEKFTVOFEBYOJQ-DEOSSOPVSA-N 412.489 4.802 0 40 HJAB Cc1c(CCC(=O)NCc2ccncc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 5348030 PTHVUONTPCCYMJ-UHFFFAOYSA-N 418.493 4.789 0 40 HJAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1Cl 5478699 FMXSKZXYTLIALV-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB Cc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)Nc1ccccc1Cl 6053048 NNAFTGCOTDDUDR-UHFFFAOYSA-N 406.916 4.763 0 40 HJAB Cn1c(CC(=O)Nc2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 6480017 KXFUGHMUEWODRZ-UHFFFAOYSA-N 407.326 4.595 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cc(F)c(F)cc1Cl 6790593 JGANNCCDCCVTNP-UHFFFAOYSA-N 408.813 4.765 0 40 HJAB COc1cc(C(=O)N(Cc2ccc(Cl)cc2)Cc2ccco2)cc(OC)c1OC 6810577 CKBWSNSNOLSXBK-UHFFFAOYSA-N 415.873 4.801 0 40 HJAB CCC(=O)c1ccc(OCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)cc1 7506649 QRHAZWWLNWOEBU-QFIPXVFZSA-N 416.477 4.937 0 40 HJAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2cc(C)ccc2C(C)C)CC1=O 7928749 SANWRTLRFFPYKT-OAHLLOKOSA-N 401.890 4.739 0 40 HJAB CCCCN1C(=O)CC[C@@H](C(=O)N2CCCc3ccccc32)[C@H]1c1ccc(OC)cc1 7989967 KGTPVQPOKCJKOP-RCZVLFRGSA-N 420.553 4.754 0 40 HJAB O=c1c(Cl)c(N2CCC[C@H]2c2nc3ccccc3s2)cnn1-c1ccccc1 8063177 SAWDDHODFVCTRP-INIZCTEOSA-N 408.914 4.837 0 40 HJAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)N(CCC(C)C)C(=O)C(C)(C)CO2 8959991 RIJYXNULPJHXKO-UHFFFAOYSA-N 424.541 4.810 0 40 HJAB COc1ccccc1[C@H](CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 8993434 MOUIMLNWDMHCMK-XMMPIXPASA-N 400.522 4.566 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 9063249 VDEBUXOHJGDYJC-UHFFFAOYSA-N 421.324 4.631 0 40 HJAB O=C1N/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1Cc1ccccc1F 9323457 AOXRYVBONYASKR-LPYMAVHISA-N 420.415 4.637 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)OCC(=O)c1c[nH]c2ccccc12 9417881 GIRNBEQNDTYYCG-VAWYXSNFSA-N 417.440 4.549 0 40 HJAB CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Oc2ccccc2F)ccc1Cl 9711734 FCOXHULKGCSWQD-UHFFFAOYSA-N 419.861 4.523 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c(C)c1 10315207 NSRJHAXEQFFUAU-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)c(C)c1 10325133 KSOYZYQNPCBSRI-SFHVURJKSA-N 420.534 4.696 0 40 HJAB CCc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 10325201 AKTVVWFXYXFFFN-KRWDZBQOSA-N 420.534 4.641 0 40 HJAB O=C(/C=C/c1ccc(Br)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12852361 QRJXFJYQMBRYQM-YPHWWSSASA-N 414.299 4.597 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 12911742 VVJTUCXHSYGODI-HXUWFJFHSA-N 402.416 4.628 0 40 HJAB O=S(=O)(N[C@H]1CCSc2ccc(Cl)cc21)c1ccccc1Br 12979171 SGQWNMGUBLCDJP-ZDUSSCGKSA-N 418.765 4.618 0 40 HJAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(Cl)nc2ccccc12 13013490 BVWINPSKXZISTJ-UHFFFAOYSA-N 421.806 4.618 0 40 HJAB Clc1ccccc1N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 13097277 PPUYEAWEUUIJAL-UHFFFAOYSA-N 401.901 4.672 0 40 HJAB CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccco2)cc1 13751486 XSRCJPVRYKZHNK-UHFFFAOYSA-N 402.450 4.675 0 40 HJAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 13999447 ZOMXIEVHXYJKBZ-LJQANCHMSA-N 402.494 4.812 0 40 HJAB CCCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 19596732 JZQLFTPVFISLCD-UHFFFAOYSA-N 422.316 4.590 0 40 HJAB Cc1nc([C@]2(O)CCCN(CC(C)(C)C)CC2)sc1CCOc1ccc(F)cc1 19738742 REARGFREOMOAEP-QHCPKHFHSA-N 420.594 4.932 0 40 HJAB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2c(C)cccc2C)o1 19929297 ZCGVHANKBODERV-UHFFFAOYSA-N 417.918 4.958 0 40 HJAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)OCc1cc(-c2ccccc2)no1 22227560 LQMRKRMOKQMBTB-UHFFFAOYSA-N 410.376 4.951 0 40 HJAB CC(=O)NCCCc1ccc(C(=O)COC(=O)c2sccc2-c2ccccc2)cc1 23297156 JFMCELLXSXBPMZ-UHFFFAOYSA-N 421.518 4.524 0 40 HJAB O=C(CN1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccc(OC(F)(F)F)cc1 24662586 YQYSVNDBCLPLCT-AWEZNQCLSA-N 419.403 4.545 0 40 HJAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1CN(C)C1CCCCC1 32900670 HJRNLRJKLWMHHP-UHFFFAOYSA-N 418.541 4.898 0 40 HJAB Cc1cc(C(=O)Nc2ccccc2Cl)cc2c1N(C)S(=O)(=O)c1ccccc1-2 33271982 KBGWXLRZERARAR-UHFFFAOYSA-N 412.898 4.706 0 40 HJAB OCc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 34772863 QIWLXWCCBAWHOB-UHFFFAOYSA-N 409.050 4.669 0 40 HJAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(COc2ccc(F)cc2)o1 36625030 KJDFOFRPDRHFOZ-UHFFFAOYSA-N 408.473 4.870 0 40 HJAB COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1OC 40128497 AXZOZCLQTZICHN-UHFFFAOYSA-N 408.502 4.642 0 40 HJAB CCc1ccc(-c2csc(NC(=O)Cc3csc(NC(=O)C(C)C)n3)n2)cc1 40140463 VOCHQZRHDHDXOS-UHFFFAOYSA-N 414.556 4.605 0 40 HJAB COc1ccc(CCn2c(-c3cccc(C)c3)nc3ccccc3c2=O)cc1OC 44928711 TYEQDJKWXHCOOL-UHFFFAOYSA-N 400.478 4.632 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c(C)c1 44948408 DDOKETBOHYQEIZ-GOSISDBHSA-N 408.523 4.595 0 40 HJAB COc1cc(OC)c(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1Cl 51364578 GOTVLSXXVFIWGO-HNNXBMFYSA-N 424.884 4.516 0 40 HJAB O=C(CCc1ccsc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 58161239 UWVJFLMQWWFVDV-UHFFFAOYSA-N 405.567 4.642 0 40 HJAB O=C(CNC(=O)c1ccc2ccccc2c1)OCc1csc(Nc2ccccc2)n1 69949049 OVCREYOPRKBVLA-UHFFFAOYSA-N 417.490 4.513 0 40 HJAB C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(N2CCCCC2)cc1 72294152 JDXCQYVPKPKVOT-NRFANRHFSA-N 406.574 4.805 0 40 HJAB CCCCOc1ccccc1-c1cc(C(=O)NCc2ccc(OC)c(OCC)c2)[nH]n1 72331610 YOVDZSXQFNDQLA-UHFFFAOYSA-N 423.513 4.593 0 40 HJAB COc1ccc(CC(=O)N2CCC(c3cccc(Cc4ccccc4C)n3)CC2)cc1 72349569 VPJXMYWMSYLHHX-UHFFFAOYSA-N 414.549 4.938 0 40 HJAB Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CCCN(C(=O)c3ccc(N)nc3)C2)n1 72354199 YDARTNOUXVKPDD-FQEVSTJZSA-N 420.944 4.631 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cc1 72356143 JQGJJOLFRGWVAY-XMMPIXPASA-N 414.549 4.938 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cc1 72356144 JQGJJOLFRGWVAY-DEOSSOPVSA-N 414.549 4.938 0 40 HJAB COC(=O)C[C@@H](c1ccccc1)c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 85877942 OTSDTXFYHDCDNR-IBGZPJMESA-N 416.429 4.566 0 40 HJAB biogenic COc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2c(Cl)cc(Cl)cc23)cc1OC 100890680 KZKFRZILAQMAET-KUHUBIRLSA-N 409.269 4.780 0 40 HJAB CCn1c(S/C(=C\c2ccccc2O)C(=O)O)nnc1-c1ccc(Cl)cc1 209172165 QKQBSCNLJDYLGF-WJDWOHSUSA-N 401.875 4.542 0 40 HJAB CCCCc1ccc(NC(=O)[C@@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 220544229 WUZGJTRBSZZIQR-OAQYLSRUSA-N 416.587 4.829 0 40 HJAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 222818801 JNFUNQNSGWQQBZ-WOJBJXKFSA-N 419.579 4.863 0 40 HJAB CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223351057 JNBWXHWOMCQPQB-AREMUKBSSA-N 414.549 4.771 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1Cc1ccccn1 223530825 ORHNJIUANOVOCI-YADHBBJMSA-N 403.555 4.566 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=S)NCCSCc2ccccc2C)c1 225361824 MHGPQKHCSCURRY-UHFFFAOYSA-N 408.976 4.655 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)CC(C)(C)O2 225814055 MSQUCYQJUKQJIH-QGZVFWFLSA-N 409.404 4.511 0 40 HJAB FC(F)(F)c1cc(N2CCCCCC2)nc(NC(=S)NC2CCCCCC2)n1 226011215 GIGKHHRJJZZEDT-UHFFFAOYSA-N 415.529 4.885 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(C(=O)O)o3)c2C)cc1 226355534 UMSZZOPHRQKCQZ-UHFFFAOYSA-N 408.479 4.642 0 40 HJAB CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 227486283 NGJIEADDSOEYDU-URXFXBBRSA-N 401.466 4.731 0 40 HJAB CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(Cc4cccc(C(=O)O)c4)C[C@H]3C[C@@H]21 257267931 MJMYRERQYSEBQY-LCKKVJLRSA-N 407.510 4.524 0 40 HJAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)c2ccccc2)C1=O 409227490 YYJCQPGYHLGSJC-FYJGNVAPSA-N 403.459 4.768 0 40 HJAB CN(C)C(=O)c1cc(NC(=O)C[C@@H](c2ccc(Cl)cc2)n2cccc2)ccc1F 524732505 KQNILBKGQLAZAH-FQEVSTJZSA-N 413.880 4.601 0 40 HJAB Cc1sc(NC(=O)CN2CCC[C@H]2c2ccccn2)nc1-c1ccc(Cl)cc1 532651270 MTYZKONMXNQKLJ-SFHVURJKSA-N 412.946 4.943 0 40 HJAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1 667164 SRHWOMMTLCCRNK-LJQANCHMSA-N 422.550 4.606 0 40 HJAB CCOC(=O)c1sc(NC(=O)[C@@H](CC)c2ccccc2)c(C(=O)OCC)c1C 668450 OBAZMIXOVFFRHS-HNNXBMFYSA-N 403.500 4.542 0 40 HJAB O=C(NC1CCCCC1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 780538 KYSJHCGIYDMTPX-XMMPIXPASA-N 408.567 4.566 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)c(C)c1 882868 DSACGSSIVRIRTR-UHFFFAOYSA-N 406.555 4.892 0 40 HJAB CCOC(=O)COc1ccc2c(c1)c(C(=O)OCC)c(C)n2-c1ccc(Cl)cc1 976778 IJXJEUPCYKJESU-UHFFFAOYSA-N 415.873 4.711 0 40 HJAB O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 1305360 UYJWMQSESPXRRO-WBVHZDCISA-N 420.366 4.640 0 40 HJAB CCN(C(=O)CSc1nnnn1-c1cc(C)ccc1C)c1cccc2ccccc12 3285819 QBKQQKXQMMWPLZ-UHFFFAOYSA-N 417.538 4.578 0 40 HJAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(F)c(F)c1F 3345652 CUAZSSBWHAVITQ-UHFFFAOYSA-N 400.731 4.902 0 40 HJAB COc1ccc(CCCc2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1C 4699583 RVXURVGCKJWERZ-UHFFFAOYSA-N 411.527 4.601 0 40 HJAB COc1cc2nc(SCc3ccccc3Cl)n3nc(C)nc3c2cc1OC 5005743 MTPGXRIKTJHAMT-UHFFFAOYSA-N 400.891 4.549 0 40 HJAB C[C@@H]1CN2c3ccccc3C(C)(C)[C@]2(/C=C/c2ccc(Br)cc2)NC1=O 5587122 CGYITOVXPZRNNO-MZJOVHLLSA-N 411.343 4.722 0 40 HJAB COc1ccc(Br)cc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 5689633 FFRGQBRVFGVVBE-IBGZPJMESA-N 413.271 4.817 0 40 HJAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(CN3CCCCC3)cc2)c1 5946833 BAGHGMQTDHHGBJ-UHFFFAOYSA-N 411.571 4.588 0 40 HJAB CC(C)Oc1cccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 6564053 NLDHDACTBODGFS-UHFFFAOYSA-N 400.434 4.527 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=S)Nc2ccccc2F)cc1 6583999 HGYZJMWWIYHLIJ-HUUCEWRRSA-N 421.563 4.586 0 40 HJAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)Nc1cccc(C)c1 6960861 XITYTOUDYRKRSD-UHFFFAOYSA-N 412.555 4.573 0 40 HJAB O=C1c2ccccc2N[C@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1C1CC1 7088319 AIXMCOIYCCEFJM-DEOSSOPVSA-N 407.477 4.663 0 40 HJAB COc1ccc(CNC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1 7969469 KVIRRHPMVFKWNU-UHFFFAOYSA-N 416.477 4.962 0 40 HJAB COC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(C)cc2)n(C)c2ccccc12 9189892 QMKSVHMENFRIAB-SANMLTNESA-N 424.500 4.872 0 40 HJAB Cc1ccc2nc(SCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)[nH]c2c1 9940811 GORMWNRTGKKZMS-UHFFFAOYSA-N 400.813 4.669 0 40 HJAB COCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](c1ccccc1)C3 10156925 SJKDMRDRYDMCRL-MRXNPFEDSA-N 418.884 4.504 0 40 HJAB Cc1cc(C(=O)Nc2ccc(OC(C)C)cc2)ccc1NS(=O)(=O)c1ccccc1 10362960 KZHIAKYBLQAGND-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB CC(C)c1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)c3ccccn3)cc2)n1 12144394 UPUMUVVNCNGYCI-UHFFFAOYSA-N 409.493 4.654 0 40 HJAB CCCOc1c(Cl)cc(/C=C/C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1OC 12559433 QEKXNOZDOTYCGM-HBWSCVEGSA-N 413.905 4.904 0 40 HJAB Cc1cccc(C)c1NC(=O)CCCSCC(=O)NCCSc1ccccc1 12973388 AXAXKIDSGPASEM-UHFFFAOYSA-N 416.612 4.664 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1ccccc1C)CC2 12986919 RRNDQAPYIKXULU-DEOSSOPVSA-N 422.550 4.660 0 40 HJAB Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 13574933 IZDRNYWWLPVINO-UHFFFAOYSA-N 422.506 4.572 0 40 HJAB O=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1 19370423 IXGJQJIHJSCVIY-SANMLTNESA-N 417.528 4.533 0 40 HJAB CC(C)NC(=O)c1cc([C@@H]2CCN(Cc3ccnc4ccccc34)C2)nc2ccccc12 19762837 HFXIYMNIJCJWHQ-HXUWFJFHSA-N 424.548 4.911 0 40 HJAB CCCCCCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OC(=O)[C@@H](C)N 19791596 YUXBQSBMYGULLQ-CQSZACIVSA-N 414.527 4.600 0 40 HJAB COc1ccc(Nc2nn(-c3nc4ccccc4s3)c3c2C(=O)C[C@@H](C)C3)cc1 19817253 KCWCGUVKCCNOFX-ZDUSSCGKSA-N 404.495 4.999 0 40 HJAB CC[C@H](C(=O)Nc1ccc(F)cc1)n1nc(-c2ccc(C)cc2)c2c(c1=O)CCCC2 20095433 NMKOMEHCITWAQG-JOCHJYFZSA-N 419.500 4.826 0 40 HJAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 20610412 WQHUSGPSLBQVGZ-HNNXBMFYSA-N 404.445 4.989 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 20765983 HWSXWLLDPXUETC-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)CS2 23682258 BXBCNPUTASFPGG-OXQOHEQNSA-N 402.903 4.525 0 40 HJAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1 24142133 UEVGUUCJXZVCCI-UHFFFAOYSA-N 418.581 4.850 0 40 HJAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)NCc1cccc(C(F)(F)F)c1 24924157 VAPGMPCAXNVEBT-UHFFFAOYSA-N 415.415 4.639 0 40 HJAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 25897097 UTLHKNODJQDGBS-IFMALSPDSA-N 420.559 4.725 0 40 HJAB CCOc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1OC(=O)c1ccc(C)cc1 27525264 FCXZRWYAFQEAIH-HMMYKYKNSA-N 418.493 4.769 0 40 HJAB CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 28206862 BQSRNDPAMCYVSY-KRWDZBQOSA-N 420.534 4.641 0 40 HJAB CCCOc1ccc(-c2nsc(NC(=O)Cc3ccc(Cl)cc3)n2)cc1OC 28287436 DJRMHAOKSCRFDH-UHFFFAOYSA-N 417.918 4.837 0 40 HJAB COc1ccccc1O[C@H](C)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 28290831 UVIFGHGDHHBRKW-OAHLLOKOSA-N 414.864 4.883 0 40 HJAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1NC(=O)c1ccccc1 29045344 QFTOOCHEQJHDLN-IBGZPJMESA-N 424.504 4.924 0 40 HJAB O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCO[C@@H](c2ccc(F)cc2)C1 31177281 IVLLWJNWJYGHED-LJQANCHMSA-N 416.905 4.745 0 40 HJAB O=C(NCc1cc(F)cc(F)c1)c1ccccc1OCc1nc(-c2ccccc2)no1 32579164 PDPWPGYDTOFVBL-UHFFFAOYSA-N 421.403 4.524 0 40 HJAB COc1ccc(OCC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1 32623232 ZEXJGJROCODYLG-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB Cc1ccc2[nH]c(SCc3noc(CCC(=O)Nc4ccc(C)c(C)c4)n3)nc2c1 33270982 GXQGWJGSLUJYAD-UHFFFAOYSA-N 421.526 4.735 0 40 HJAB C[C@@H](NC(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccncc1 40141047 IINHDMIXGJNQEB-CYBMUJFWSA-N 401.260 4.507 0 40 HJAB Cc1cccc(C(=O)Nc2c(C(=O)NCc3ccc(C)o3)[nH]c3ccc(C)cc23)c1 44168589 ZCLXAYIVMONCSK-UHFFFAOYSA-N 401.466 4.868 0 40 HJAB CN(Cc1nnc2n1CCCCC2)c1ncnc2scc(-c3ccc(Cl)cc3)c12 48265116 LTPSXDWOXJHVHT-UHFFFAOYSA-N 424.961 4.966 0 40 HJAB O=S(=O)(c1ccc(-c2ccccc2)cc1)N(Cc1cccnc1)CC(F)(F)F 71195120 QNFRNEULYJIHEV-UHFFFAOYSA-N 406.429 4.502 0 40 HJAB COc1cccc2c1ccn2CCC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 72324439 NWWJNUGLALVMQS-UHFFFAOYSA-N 407.901 4.760 0 40 HJAB biogenic CC(C)Nc1n[nH]c2nc([C@@H]3CCCN3C(=O)c3cc(C4CCCCC4)no3)ccc12 72374539 HDGCJIFQZFFCML-IBGZPJMESA-N 422.533 4.791 0 40 HJAB Cc1cccc([C@@H](C)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1 95967345 PDCIXTMDAMMVRT-HXUWFJFHSA-N 404.533 4.707 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2c(F)cccc2Cl)S1 96117879 OOESTUNTUQANCJ-BZNIZROVSA-N 409.914 4.985 0 40 HJAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H](C)c3ccccc3)CC2)on1 100744044 MHOGDKBKGRCYRF-CMKODMSKSA-N 406.530 4.577 0 40 HJAB CCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 103718712 YAOQQXMIJWJEBK-HNNXBMFYSA-N 420.431 4.876 0 40 HJAB COc1ccc(N2C(=O)/C(=C\Nc3cccc(C)c3)c3ccccc3C2=O)cc1OC 105308896 CUAWXLDALOKYJQ-QNGOZBTKSA-N 414.461 4.652 0 40 HJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccc(C)c2)no1 219389803 CKCOIHQKDRYIGG-QGZVFWFLSA-N 401.919 4.886 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(OC)c1 222977055 FPJOCBVWKRHUGA-FGZHOGPDSA-N 406.555 4.654 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(CC)cc1 223834978 GKYJIZLXPNOATF-SFHVURJKSA-N 414.977 4.779 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC3=CCCCC3)ccc2C)c(C)c1 223971402 ZFTRMZGHZFQLDF-UHFFFAOYSA-N 412.555 4.643 0 40 HJAB CCCC[C@H](CC)CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 224075096 YHKKTHAGJRXZAS-SFHVURJKSA-N 402.560 4.742 0 40 HJAB Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)COc1ccc(Cl)cc1 224336886 VWURSNCNHYNDGM-UHFFFAOYSA-N 401.825 4.696 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 224898200 RQOMPIFYDRWXTG-XMMPIXPASA-N 424.585 4.516 0 40 HJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)n1C 225339884 IUNWRGUJPNEVDP-FGZHOGPDSA-N 406.555 4.693 0 40 HJAB Cc1ccc(-c2nnc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)s2)cc1 225382298 TZGAVQIVGSEUTD-UHFFFAOYSA-N 414.339 4.762 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 225573127 VSZKAEDOIXESEZ-QPPBQGQZSA-N 408.586 4.958 0 40 HJAB CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cc1C(=O)OC 225853747 HHIQLGUTPHHEGM-GAJHUEQPSA-N 405.535 4.966 0 40 HJAB Cc1cc(C)nc(Nc2ccccc2C(=O)N2CCC(Cc3ccccc3)CC2)n1 225918188 AZDZXDWEWJQRNG-UHFFFAOYSA-N 400.526 4.932 0 40 HJAB O=C(CCNC(=O)c1ccc2sc(Cl)nc2c1)Nc1cccc2ccccc12 225980245 QSVKSSMECQHOGY-UHFFFAOYSA-N 409.898 4.862 0 40 HJAB CCOc1ccc(C2=NN3[C@H](c4ccncc4)Oc4c(OC)cccc4[C@H]3C2)cc1 244986300 JPGIDZKYERKMNA-QPPBQGQZSA-N 401.466 4.731 0 40 HJAB Cc1cccc2nc(C(=O)N3CCC[C@@H]3c3ncc(Cc4cccc(Cl)c4)o3)cn12 257264984 LWVAMMGVOSYCFD-HXUWFJFHSA-N 420.900 4.852 0 40 HJAB CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C(C)C)CC1 257272993 NEVHVKWSBULWRQ-UHFFFAOYSA-N 406.570 4.687 0 40 HJAB O=C(COc1ccc(C2CCCCC2)cc1)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F 408563604 PVNRSGVBNFRZJG-RXVVDRJESA-N 424.463 4.752 0 40 HJAB O=C(NCCc1ccccc1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408624161 USNYKYNFUQTZGI-UHFFFAOYSA-N 402.881 4.801 0 40 HJAB O=C(NC(=S)Nc1ccc(Br)cc1F)c1cccc2ccccc12 408626332 GNSUGSCVHORPTM-UHFFFAOYSA-N 403.276 4.868 0 40 HJAB Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)c(C)c1 408736414 BWLQXIQOZDFORT-JOCHJYFZSA-N 407.514 4.717 0 40 HJAB CCN1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)C1=O 409093609 ASDDXPNITDKQRV-UDWIEESQSA-N 419.506 4.645 0 40 HJAB Cc1cccc(COc2ccc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)cc2)c1 409220524 BAEWASRTBSMRHM-BUVRLJJBSA-N 412.489 4.975 0 40 HJAB Cc1ccc(CN2CCC3(CCCCc4ccccc4OCC(=O)N(C)C3)CC2)cc1 643563743 QVEZHDGHYVADDC-UHFFFAOYSA-N 420.597 4.841 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1775973623 LFNGPOQEFFMXAL-HOTGVXAUSA-N 408.329 4.742 0 40 HJAB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 956341 HZZDRGMFPXZJHZ-SFHVURJKSA-N 405.281 4.707 0 40 HJAB O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccc(Br)o1 990022 CDENTSKVXUSBGP-UHFFFAOYSA-N 417.650 4.682 0 40 HJAB Cc1sc2nc(CN(Cc3ccccc3)C(=O)Nc3ccccc3)[nH]c(=O)c2c1C 1358979 PYAOEPRHSJTOKI-UHFFFAOYSA-N 418.522 4.836 0 40 HJAB Clc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCc3ccccc32)cc1 1360848 PRLQTMVOXHQQLB-QHCPKHFHSA-N 415.928 4.721 0 40 HJAB CCc1ccc(-n2c(N)c(C(=O)OC[C@H](C)CC)c3nc4ccccc4nc32)cc1 2395883 KHACGQINSLUFIM-OAHLLOKOSA-N 402.498 4.921 0 40 HJAB COc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4c(C)cccc4cc23)cc1OC 2425200 AJTWAOGOZNXQJB-UHFFFAOYSA-N 418.497 4.818 0 40 HJAB Cc1cc(C)c(C(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1C 2634089 SEXIUVYBTASLPL-RUZDIDTESA-N 406.526 4.559 0 40 HJAB CC(=O)c1cccc(NC(=O)CSc2nnc(Nc3c(C)cccc3C)s2)c1 2636605 JXEHYRSOBIBPRI-UHFFFAOYSA-N 412.540 4.832 0 40 HJAB FC(F)(F)c1cc(C2CC2)nc2cc(-c3nnc(Cc4ccc(Cl)cc4)o3)nn12 2803688 CXZPQMDCCRKOIS-UHFFFAOYSA-N 419.794 4.920 0 40 HJAB CC(C)c1ccc(/C=C2\N=C(c3ccc(I)cc3)OC2=O)cc1 3092520 RPMGDRLUXCJEIP-BOPFTXTBSA-N 417.246 4.759 0 40 HJAB O=c1cc(CSc2nnc3sc4ccccc4n23)c2cc3c(cc2o1)CCC3 3367553 UWMSDAVLBONKEL-UHFFFAOYSA-N 405.504 4.831 0 40 HJAB CCOc1ccccc1NC(=O)CNc1ccccc1C(=O)Nc1ccc(C)cc1 3405880 ROWIJJKMNVZYOZ-UHFFFAOYSA-N 403.482 4.697 0 40 HJAB CCn1c(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nnc1-c1cccs1 3438901 NSYQXSLCRCYJTO-NSHDSACASA-N 417.585 4.795 0 40 HJAB CCc1cc2c(=O)n(Cc3ccccc3)c(SCc3c(C)noc3C)nc2s1 3447059 ULYHIYYYQFGMFA-UHFFFAOYSA-N 411.552 4.966 0 40 HJAB CCCNC(=S)N(CCc1cccc(C)c1)Cc1cc2cc(CC)ccc2[nH]c1=O 4216133 RYHSYVWXADMDOI-UHFFFAOYSA-N 421.610 4.728 0 40 HJAB CCc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)cc1 4240548 HMAJGZYOIGMFAC-QHCPKHFHSA-N 417.509 4.684 0 40 HJAB Cc1nc(-c2ccccc2)sc1CCNS(=O)(=O)c1ccc2ccccc2c1 4358637 JCMZROGIUCVOPA-UHFFFAOYSA-N 408.548 4.793 0 40 HJAB c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccncc4)=NN23)cc1 5529662 ZMLQAMBOQMCRMN-XMMPIXPASA-N 410.521 4.617 0 40 HJAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1F 6452558 IWYUUQNETXLMTM-UHFFFAOYSA-N 411.289 4.659 0 40 HJAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(Cl)cc2)N1Cc1cccnc1 6744574 GYUZRVFNZZRHOE-QFIPXVFZSA-N 416.868 4.576 0 40 HJAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cccnc1Oc1ccccc1)CC2 6756278 KWKOLZNQXQHHLW-MRXNPFEDSA-N 404.466 4.651 0 40 HJAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)C1 6792324 SKGHWSLIELOKTR-ROUUACIJSA-N 424.566 4.727 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c(C)c1 7193639 PNSUCYQLBCGWAO-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)c(OC)c1OC 7883998 WTNJBFRZTCELLG-DEOSSOPVSA-N 418.493 4.788 0 40 HJAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1C 7983357 NWPOCPYEOGLPIQ-AWEZNQCLSA-N 420.962 4.630 0 40 HJAB CCCCc1ccc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 8041466 FMFDGDFNPJNIOF-UHFFFAOYSA-N 402.560 4.523 0 40 HJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1C(F)(F)F 8390325 XEHDWOODKHOAMC-UHFFFAOYSA-N 405.203 4.723 0 40 HJAB COC(=O)c1c(-c2cccs2)csc1NC(=O)COc1cccc(Cl)c1 8844215 DCLMJZRSJKIUKQ-UHFFFAOYSA-N 407.900 4.934 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@@H](C)c1nc2ccccc2n1C(F)F 10639889 DLYAPCNVDZEEEG-OLZOCXBDSA-N 407.848 4.772 0 40 HJAB CCOc1cccc2cc(-c3csc(NC(=O)c4ccc5c(c4)OCCO5)n3)oc12 10749888 GJTVXMSQJWPQGG-UHFFFAOYSA-N 422.462 4.979 0 40 HJAB O=C(CNc1cc(Cl)ccc1N1CCCC1)Nc1ccccc1Br 11620766 IOYDMDBJGJFUEA-UHFFFAOYSA-N 408.727 4.753 0 40 HJAB O=C(CCc1csc(NC(=O)c2cccs2)n1)Nc1nc2ccccc2s1 11835231 GPLKBHXRFNHCPT-UHFFFAOYSA-N 414.537 4.638 0 40 HJAB CCCc1nnc(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc23)s1 12062678 YZMXUSINGXBWDY-UHFFFAOYSA-N 404.495 4.967 0 40 HJAB O=C(C1CCC1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 12598720 GBDKKPPYYZYLAV-INIZCTEOSA-N 421.360 4.885 0 40 HJAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)N3CCC[C@H]4CCCC[C@H]43)c(=O)c12 12765267 WSWIZUZXSPDHLN-IEBWSBKVSA-N 421.566 4.615 0 40 HJAB Cc1ccc2c(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)coc2c1 13059957 IGZLAWPZJZKWLP-UHFFFAOYSA-N 402.416 4.651 0 40 HJAB Cc1c(C)n(Cc2ccco2)c2ncn3nc(-c4ccccc4Br)nc3c12 13608776 AVLVNCDNZWWEQL-UHFFFAOYSA-N 422.286 4.767 0 40 HJAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(C)cc1C 14122393 GSTJBRYFYVPMFT-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1Br 15349731 MAULWPGOCOJXKH-RMKNXTFCSA-N 411.093 4.872 0 40 HJAB Cc1ccccc1NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(-n2cccc2)c1=S 16807279 GNXHFVBLLOFEOM-UHFFFAOYSA-N 423.929 4.795 0 40 HJAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cccc2ncccc12 18036556 YPIJYIUVYUEISC-XIGIHCPSSA-N 402.453 4.631 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCC2)C1 19449103 DXGQPBHYNMYJFA-XMMPIXPASA-N 410.583 4.501 0 40 HJAB O=c1[nH]c(=S)n(-c2cccc(Cl)c2)c2c1CN(Cc1ccccc1Cl)CN2 20495093 BUQRDLBFQGHXHJ-UHFFFAOYSA-N 419.337 4.587 0 40 HJAB Cc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc(C)c5)nc4nc3C2)cc1 20632389 MAKSTOYPIPJSLT-IBGZPJMESA-N 414.534 4.946 0 40 HJAB COc1cccc(-c2noc(CCCC(=O)Nc3ccccc3C(F)(F)F)n2)c1 21168671 XEVIITBKPGIYSW-UHFFFAOYSA-N 405.376 4.725 0 40 HJAB CCCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3ccc(C)cc3nc21 21595111 ZSCMSOOVXGEGCE-UHFFFAOYSA-N 408.889 4.974 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(Cc3ccsc3)CC2)c1 22800032 KBPFNQCELIMBOJ-XMMPIXPASA-N 419.594 4.863 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](c1cccs1)N1CCCC1 23804786 UZRIKSUXAVZHGO-CZUORRHYSA-N 413.370 4.776 0 40 HJAB Cc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)cc1C 27663861 CEKJRCXEROJXCZ-JOCHJYFZSA-N 400.950 4.679 0 40 HJAB CCN(CC)c1ccc(-c2nnc(SCc3nc(-c4ccco4)no3)n2CC)cc1 30028626 IXTLCWNGJCNREG-UHFFFAOYSA-N 424.530 4.747 0 40 HJAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 32898914 URFVJUDYEKTWKU-UHFFFAOYSA-N 400.478 4.871 0 40 HJAB CCOc1cc(C(=O)N(Cc2cccnc2)Cc2ccco2)cc(OCC)c1OCC 32905890 RDQCTEQVVRJBTH-UHFFFAOYSA-N 424.497 4.713 0 40 HJAB O=C(Nc1cccc2cccnc12)c1nc(NCCc2ccccc2)ncc1Cl 40130337 BMQNPOUOWQHADL-UHFFFAOYSA-N 403.873 4.585 0 40 HJAB O=S(=O)(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nc2ccccc2[nH]1 40152109 PCGKILHHBURGGP-UHFFFAOYSA-N 423.441 4.679 0 40 HJAB C[C@@H](NC(=O)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1)c1ccc(F)cc1 49401869 GBKSLCFSTGZNQO-QGZVFWFLSA-N 420.488 4.502 0 40 HJAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccccc1Br 51364524 IXSXRPUSWOOGKU-OAHLLOKOSA-N 409.283 4.608 0 40 HJAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)Nc1cc(Cl)cc(Cl)c1 57508040 QEKOPWOQHGDPHU-UHFFFAOYSA-N 404.278 4.557 0 40 HJAB O=C(CCC(=O)c1cccs1)NCc1cccc(NC(=O)Nc2ccccc2)c1 58264794 IVHKCUYMSBFABY-UHFFFAOYSA-N 407.495 4.671 0 40 HJAB CCN(CC)c1ccc(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cn1 58310038 MEHUGRRGZUSLFN-UHFFFAOYSA-N 417.513 4.502 0 40 HJAB Cc1cccc(Cn2cccc(C(=O)Nc3nc(-c4cc(C)oc4C)cs3)c2=O)c1 63802044 BTORLTFZQWQUOT-UHFFFAOYSA-N 419.506 4.791 0 40 HJAB Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)C(C)(C)C)CC2)c1 72345312 TUPBALKTGOCIRH-UHFFFAOYSA-N 420.597 4.948 0 40 HJAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)Cc2cccc(C)c2)n1 72390715 CVFGQCFJYAKNDG-NRFANRHFSA-N 418.541 4.916 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2c[nH]nc2-c2ccccc2)S1 96117084 VMNABKYRQLHYGG-KXBFYZLASA-N 423.542 4.583 0 40 HJAB COc1cccc(N2C(=O)[C@H](c3ccccc3)C(c3nc4ccccc4s3)=C2N)c1 102202982 XDKVZBBVWNMOKQ-HXUWFJFHSA-N 413.502 4.763 0 40 HJAB Cc1ccc(-c2csc3ncnc(OCC(=O)N[C@@H](C)[C@H]4C[C@@H]5CC[C@@H]4C5)c23)cc1 103126289 FTDWRQXZJBSTKC-QFHJOOASSA-N 421.566 4.986 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 222662772 KMEDASAXGIVSCN-IBGZPJMESA-N 424.585 4.695 0 40 HJAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl 222903094 BBDABPSFAGDYSO-ZDUSSCGKSA-N 411.304 4.576 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 223075399 PNOMTIIPKWLQDD-GOSISDBHSA-N 400.950 4.525 0 40 HJAB CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 223343043 QQEZXHOOGOIEOG-RUZDIDTESA-N 400.522 4.873 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 223641657 BSJYLTBFPDZBLY-DEOSSOPVSA-N 408.586 4.878 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl 223836640 KSACATZFJJRNES-INIZCTEOSA-N 421.368 4.870 0 40 HJAB COc1cc(CNC(=O)c2cc(Br)ccc2Cl)ccc1OC(C)C 225072245 MEZWARXKYVGNGQ-UHFFFAOYSA-N 412.711 4.828 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225101832 ASQOTBWZCWNZIN-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB COc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cn1 225343426 SCWXTNSRCBTDDZ-UHFFFAOYSA-N 402.372 4.617 0 40 HJAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(Cc1ccc(OC(F)(F)F)cc1)C2 225489367 XTQODWFWHIBELR-KRWDZBQOSA-N 406.404 4.625 0 40 HJAB biogenic,in-vitro COCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C)n1 225870231 GZZKTNGEWGTYRX-UHFFFAOYSA-N 402.922 4.909 0 40 HJAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)cc2N1 248151440 BNYNCHGSLWBOGM-UOVPBQLFSA-N 424.511 4.889 0 40 HJAB O=C(NCC[C@@H]1CCCCN1C(=O)C1(c2cccc(F)c2)CCCC1)c1ccccc1 257230647 GDFMXTKTKNPTIE-QHCPKHFHSA-N 422.544 4.839 0 40 HJAB O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)Nc1ccc(F)cc1 408643551 AQFOLBCUQNRVLB-UHFFFAOYSA-N 418.399 4.976 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1cccc2ccccc12 408661636 FWGGCQFATQKRGJ-UHFFFAOYSA-N 424.884 4.702 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)CC 408698735 RZULQVOECOTIAT-UHFFFAOYSA-N 417.314 4.541 0 40 HJAB O=C(Nc1ccccc1Br)C1CCN(C(=O)c2cccc(Cl)c2)CC1 409021669 SGUIHXJUKIDRNR-UHFFFAOYSA-N 421.722 4.593 0 40 HJAB Cn1cc([C@@H]2CN(C(=O)C3c4ccccc4Oc4ccccc43)Cc3ccccc32)cn1 585407233 HMERVLQJHUFLAU-QHCPKHFHSA-N 421.500 4.832 0 40 HJAB CC(=O)Nc1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(Cl)c1 585655890 FSIKNAZKPUCTAO-UHFFFAOYSA-N 412.748 4.927 0 40 HJAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCCO4)c(C)oc2cc1OC(C)=O 630509 OXUVXWNUWQYLHT-UHFFFAOYSA-N 408.450 4.808 0 40 HJAB biogenic Cc1c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)oc2ccc(Cl)cc12 634094 FDQRYPGUOKYLBG-UHFFFAOYSA-N 420.899 4.660 0 40 HJAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(C)n1-c1cccc(Cl)c1 925061 HMSYEOHQIHBWCY-AWEZNQCLSA-N 400.935 4.965 0 40 HJAB c1ccc(-c2nc3sc4c(NC[C@@H]5CCCO5)ncnc4c3c3c2CCC3)cc1 1254678 UYORXEIQPIMRLW-HNNXBMFYSA-N 402.523 4.986 0 40 HJAB COc1ccc(CN(CC[C@H](c2ccccc2)c2ccc3c(c2)OCO3)C(C)=O)cc1 1321637 LDOFBEQHEPICKS-XMMPIXPASA-N 417.505 4.995 0 40 HJAB biogenic O=C(c1cc2ccccc2oc1=O)N(CCc1ccccc1)Cc1ccc(F)cc1 1330090 WUGDCSZVKBWGMX-UHFFFAOYSA-N 401.437 4.817 0 40 HJAB CCc1ccc(N2C(=O)C[C@@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1 1378786 LSCILNVUZFJUDZ-QHLVILHISA-N 402.538 4.887 0 40 HJAB O=C(Nc1cc(Br)c(O)c(Br)c1)c1cccc(Cl)c1 3076996 JFJRQLLFJSMJRB-UHFFFAOYSA-N 405.473 4.823 0 40 HJAB Cc1cc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)c2ccccc2n1 3245450 MRHMGIMWZLTREA-UHFFFAOYSA-N 402.422 4.653 0 40 HJAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CCc1nc2ccccc2s1 3300816 XPHKNZUIRFQHBA-UHFFFAOYSA-N 410.539 4.599 0 40 HJAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 3359950 VCTFJIPEIGDZES-UHFFFAOYSA-N 408.159 4.688 0 40 HJAB O=C(CSc1ccccc1C(=O)NC1CCCC1)c1ccc(OC(F)F)cc1 3405525 GSOLGOBPXSPPRZ-UHFFFAOYSA-N 405.466 4.935 0 40 HJAB COc1ccc([C@@H](CNC(=S)Nc2ccc(F)c(Cl)c2)N2CCCC2)cc1 3432441 NSCZSKKTSZWHOS-LJQANCHMSA-N 407.942 4.611 0 40 HJAB Cc1ccccc1Nc1nnc(SCC(=O)N[C@@H](C)c2ccc(F)cc2)s1 3465512 LFAKYJBNGZKDKD-ZDUSSCGKSA-N 402.520 4.699 0 40 HJAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O 4305741 YENSLBUMEMWSDJ-RUZDIDTESA-N 404.510 4.774 0 40 HJAB O=C(CC1CCCC1)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 4354035 DRYIAVXDCKJWJW-UHFFFAOYSA-N 406.438 4.933 0 40 HJAB O=C1OC(c2ccccc2Br)=N/C1=C\c1ccc(Br)cc1 4589110 YRIIFYWHMUBURX-ZROIWOOFSA-N 407.061 4.556 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cccc(Cl)c1 4800584 MLSMQOOMUOXTEE-UHFFFAOYSA-N 408.861 4.627 0 40 HJAB CC(C)[C@H](OC(=O)c1cc2sccc2n1C(C)C)C(=O)NCCc1ccccc1 4967116 KTEDKNBMTJCPKE-NRFANRHFSA-N 412.555 4.824 0 40 HJAB O=C(Cc1ccccc1)NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1 5545829 PGCZOSQXURBZJP-UHFFFAOYSA-N 403.913 4.639 0 40 HJAB C[C@@H](c1ccccc1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 5721818 ZQWJZRLWGALBIQ-QMHKHESXSA-N 401.462 4.782 0 40 HJAB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccccc1Sc1ccccc1 6370952 JOPZYQUTXDFVTQ-UHFFFAOYSA-N 403.463 4.510 0 40 HJAB COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)cc1 6623840 YJAZXGDFJOIFNL-UHFFFAOYSA-N 405.450 4.963 0 40 HJAB biogenic COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1cnn(Cc2ccccc2)c1 7113142 KZHAKPNYVXVCHM-XMMPIXPASA-N 410.477 4.711 0 40 HJAB COc1ccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1Cl 7318928 YOEZRFMLCZAWDZ-UHFFFAOYSA-N 407.857 4.828 0 40 HJAB Cc1ccc(C)c(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c1 7616054 WDQSRICYCOUJJM-UHFFFAOYSA-N 417.896 4.972 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(c1ccccn1)C3=O 8664928 AUKAOHKEJJLDJT-FQEVSTJZSA-N 402.837 4.900 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)sc(C)c1C 8845579 KUTLTXJXFIMBGM-UHFFFAOYSA-N 413.499 4.506 0 40 HJAB COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c1OC 9135339 JPOZFXWPCITSDU-UHFFFAOYSA-N 418.449 4.647 0 40 HJAB COc1ccc(OC)c(/C=C/C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 9607985 AUHSRQBBXXFKMK-DDVUFSRBSA-N 405.519 4.953 0 40 HJAB COc1cccc(C(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2Cl)c1 10186525 UROXDJZQMALYSZ-UHFFFAOYSA-N 419.868 4.608 0 40 HJAB COc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)N3CCC(C)CC3)no2)cc1 11905308 MQNUFCYCSHWOPS-HSZRJFAPSA-N 419.525 4.553 0 40 HJAB CCOc1cc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)nc(C)n1 12225427 FQUMUEYQIZIAML-UHFFFAOYSA-N 400.841 4.972 0 40 HJAB CCCOc1cc(Nc2ccc(NC(=O)c3cccc(OC)c3OC)cc2)nc(C)n1 12225556 NNSHAZSYTCUUFQ-UHFFFAOYSA-N 422.485 4.587 0 40 HJAB COc1ccc(C(=O)CSc2ncc(-c3cc(C)no3)c(-c3ccco3)n2)cc1 12233154 ZQKPKRGYHAOUPJ-UHFFFAOYSA-N 407.451 4.684 0 40 HJAB C[C@H]1CCc2c(sc3ncnc(SCCCn4c(=O)[nH]c5ccccc54)c23)C1 12589270 WIVZPOJPIQOUBY-ZDUSSCGKSA-N 410.568 4.642 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12774487 AODMUENIEFXUSV-CABCVRRESA-N 421.324 4.638 0 40 HJAB CCc1ccccc1N1C[C@H](C(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1=O 12940252 AMANTWPGRUPWPL-XLIONFOSSA-N 419.550 4.575 0 40 HJAB O=C(NC1CCN(C(=O)C2CC2)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 13007242 ZAKPWMQTFMVEQF-UHFFFAOYSA-N 416.443 4.503 0 40 HJAB COC(=O)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 13758100 JNSIPKVGNDUFPS-UPVQGACJSA-N 414.461 4.724 0 40 HJAB CC(C)n1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c2ccccc21 15008609 HURXVRAICJQOSU-NDENLUEZSA-N 419.506 4.897 0 40 HJAB Cc1cccc(N(CC(=O)Nc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)c1 15398143 LHWOELNYXAUIIK-UHFFFAOYSA-N 422.550 4.952 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)cc1 15935531 RICSODGMIVRGMG-UHFFFAOYSA-N 412.511 4.647 0 40 HJAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1c(C)cc(C)cc1C 17092634 AOLFVYFPRGHKQJ-UHFFFAOYSA-N 421.360 4.818 0 40 HJAB Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 18014360 ZHYLUKOHTCSMMT-SFHVURJKSA-N 408.523 4.595 0 40 HJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)C(C)(C)C)CC3)cc2N1 19451405 KBBFYSWZEWCWMB-GOEBONIOSA-N 400.489 4.579 0 40 HJAB CSc1ccc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 21601374 CFWXDFKWXNIGTB-UHFFFAOYSA-N 401.491 4.668 0 40 HJAB CCc1n[nH]c(=S)n1NCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 22110523 JWBWJWDSAWQJNJ-UHFFFAOYSA-N 422.913 4.627 0 40 HJAB CCn1cc(C(=O)Nc2cc(C)ccc2OC)c(=O)c2cc(C(F)(F)F)ccc21 22236847 VZNYAOOFLXGXMB-UHFFFAOYSA-N 404.388 4.610 0 40 HJAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 22518676 SVSJBAIKWCIREL-QGZVFWFLSA-N 412.555 4.831 0 40 HJAB CCOC(=O)c1cc(C)n(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1C 25899932 VYBAMXLWKSCOHZ-HSZRJFAPSA-N 422.550 4.517 0 40 HJAB COc1ncccc1CNC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1 30304562 MDUXTYPOSZJYLA-DEOSSOPVSA-N 417.534 4.517 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4ccc(Cl)cc4)nn32)cc1 32072162 LBHPIBCGXILGKG-SFHVURJKSA-N 422.872 4.886 0 40 HJAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)NCCC1=CCCCC1 32578761 IAXNDILGSGBJRL-UHFFFAOYSA-N 403.482 4.789 0 40 HJAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(OCc3ccccc3)cc2)no1 32876620 QYNDBHGHNVFUJK-UHFFFAOYSA-N 415.449 4.788 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC1(N2CCCCC2)CCCCC1 32960862 FCIGGMIROQIZPR-QGZVFWFLSA-N 423.395 4.521 0 40 HJAB CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)cc2C1 40011961 YEWSSJHRESCSMX-AEFFLSMTSA-N 422.598 4.962 0 40 HJAB CCOc1cc(C(=O)Nc2nc3ccccc3s2)ccc1OCc1cccnc1 40069160 OWNBDNQKYICPIK-UHFFFAOYSA-N 405.479 4.921 0 40 HJAB CCS(=O)(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1C 59886920 BLDBEOYYCPFPBF-UHFFFAOYSA-N 406.573 4.729 0 40 HJAB CCOc1ccc(-c2nc(C)c(C(=O)N(C)c3ccc(OC)c(OC)c3)s2)cc1 64322212 LCGNYSSVTITEPP-UHFFFAOYSA-N 412.511 4.811 0 40 HJAB COc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccc(C)cc2)no1 64579634 FJXCNWPXZWCSHF-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB COc1ccc(OC)c(-n2c(SCc3ccccc3F)nc3ccccc3c2=O)c1 67258955 ARVSNSJXLUUADQ-UHFFFAOYSA-N 422.481 4.834 0 40 HJAB CCN(CC)[C@H](C(=O)NCc1ccccc1COC)c1cccc(C(F)(F)F)c1 72283614 AHLVMVYDARODGT-FQEVSTJZSA-N 408.464 4.551 0 40 HJAB Clc1ccccc1-c1nnc(CN2CC(OCc3cccc4ccccc34)C2)o1 72308926 XMUIPPPNWOPBRZ-UHFFFAOYSA-N 405.885 4.944 0 40 HJAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)c1 72359185 BVKOEJYJJIEQQF-OAQYLSRUSA-N 401.510 4.627 0 40 HJAB C[C@@H](CN1CCC([C@H](NC(=O)c2ccccn2)c2nccs2)CC1)c1ccccc1 72394616 OXFCDXHDZFOXJJ-AVRDEDQJSA-N 420.582 4.525 0 40 HJAB C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1 85884986 NEMWYOKGHGSVSC-HWVOOSAZSA-N 415.662 4.563 0 40 HJAB biogenic CC(C)n1cnc2c(-c3cccnc3)nc(C3CCN(C(=O)c4ccco4)CC3)cc21 96100015 ZHAVCXLCSPCABE-UHFFFAOYSA-N 415.497 4.687 0 40 HJAB CCCC[C@H](CC)CNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 98073002 MCVRCRBOYWVYNQ-NSHDSACASA-N 416.303 4.963 0 40 HJAB CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(C)cc1C)n2CCSC 101119425 QGILGCARTBSZGG-DQRAZIAOSA-N 400.569 4.822 0 40 HJAB CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1ccc(F)cc1)C(=O)O 141727436 AASWRUZYXHQLCZ-QHCPKHFHSA-N 419.452 4.702 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 216404308 VZDLEURIERCVOV-SFHVURJKSA-N 408.523 4.595 0 40 HJAB C[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 222657809 PWKUSMXBZYFZKV-GFCCVEGCSA-N 412.338 4.875 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C)cc1 223826032 GNCQNNXWNAWWEA-SFHVURJKSA-N 400.950 4.525 0 40 HJAB COc1ccc(CCC(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C 224334005 MNMPHBNEYZHTKO-UHFFFAOYSA-N 407.514 4.600 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 225034804 FHWFOSNOEXIUBW-DEOSSOPVSA-N 406.570 4.794 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 225076597 HFLFARRWIXEEMJ-FGZHOGPDSA-N 424.585 4.794 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 225633612 FTEISOXCFSGFNB-MRXNPFEDSA-N 421.368 4.868 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)c1 225676418 IFKAPUPPRSJKQG-IBGZPJMESA-N 414.977 4.689 0 40 HJAB S=C(NCc1ccco1)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408975972 DFIVWILWDLBCAC-UHFFFAOYSA-N 414.494 4.700 0 40 HJAB O=C1N/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N1Cc1ccc(F)cc1 409010361 KCIBBESMWCMICE-FYJGNVAPSA-N 420.415 4.637 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CSCc2ccccc2Cl)CC1 409147001 UVQDCLPZRRFIJF-UHFFFAOYSA-N 409.382 4.884 0 40 HJAB CNC(=O)COc1cccc([C@@H]2OC[C@@H](c3ccccc3Cl)C[C@H]2C(C)C)c1 585295455 ZWRSXBYONHVJKU-NYDSKATKSA-N 401.934 4.982 0 40 HJAB CN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccc(F)cc1 614930256 USASYFOEXABZDU-AWEZNQCLSA-N 409.288 4.648 0 40 HJAB CCN1CCCCCN(C(=O)C(C)C)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582669 GPFFOEOIOQHNDE-IRLDBZIGSA-N 400.563 4.507 0 40 HJAB CCN1CCCCCN(C(=O)CC(C)C)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582953 VJKKUJAFIYWXJY-GGAORHGYSA-N 414.590 4.897 0 40 HJAB Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 1520238569 GHGOKIAKHZKFPD-QWHCGFSZSA-N 407.342 4.525 0 40 HJAB O=S(=O)(NCC1(c2ccc(F)cc2F)CCCC1)c1cccc(C(F)(F)F)c1 1668680830 LKLVGNCXPRHYHU-UHFFFAOYSA-N 419.415 4.774 0 40 HJAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F 1772714798 WSDMSXGGWDJBIX-LLVKDONJSA-N 415.330 4.635 0 40 HJAB CCN1CCc2ccccc2NC2(CCN(Cc3ccc(Cl)cc3)CC2)CC1=O 2037985716 SZDOPMDPAGHUMB-UHFFFAOYSA-N 411.977 4.581 0 40 HJAB CCOC(=O)c1cccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 682567 CLXMCFKMQVHWJK-UHFFFAOYSA-N 402.661 4.841 0 40 HJAB O=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(OC(F)(F)F)cc1 1095897 ATEMKCZJJCPQOL-CQSZACIVSA-N 401.793 4.663 0 40 HJAB CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cc2cc(OC)ccc2nc1Cl 1237083 GZHFKXAQPYQDKL-OAQYLSRUSA-N 423.900 4.993 0 40 HJAB Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccc(Cl)c(Cl)c3)ccc12 2092427 DYNDQMQQEIXXCC-UHFFFAOYSA-N 407.249 4.923 0 40 HJAB biogenic COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)CCc2ccccc2)c(OC)c1 2107633 LXBRFSSHLGAUPU-HDYLNDSGSA-N 423.553 4.531 0 40 HJAB biogenic CCCCCCNC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 2252275 ATRRTFSJCLAZLK-UHFFFAOYSA-N 415.541 4.720 0 40 HJAB O=C1OCC[C@@H]1Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 2626151 QZAZQYASVLZKJQ-HNNXBMFYSA-N 406.294 4.649 0 40 HJAB O=C(CSc1nccc(-c2cccs2)n1)Nc1c(F)c(F)c(F)c(F)c1F 2789817 OGDGUPJNZULXBJ-UHFFFAOYSA-N 417.384 4.631 0 40 HJAB CCOc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1 3012997 IAFZDGIFIHPFSK-NVXWUHKLSA-N 420.391 4.787 0 40 HJAB CC(C)N(C(=O)COC(=O)c1cc(Br)ccc1Cl)c1ccccc1 3232821 LLMWOSNHWXWIOH-UHFFFAOYSA-N 410.695 4.701 0 40 HJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1Br 3290669 DIWPYBGQFWLHRS-UHFFFAOYSA-N 411.303 4.686 0 40 HJAB COc1ccccc1NC(=O)CSc1nnc(Nc2c(C)cccc2C)s1 3362789 YVLYPBJNUUWPOZ-UHFFFAOYSA-N 400.529 4.638 0 40 HJAB Cc1ccc(C)c(-c2nnc(OCC(=O)N3CCc4ccccc43)c3ccccc23)c1 3427044 IPGKAIJRURLVRT-UHFFFAOYSA-N 409.489 4.882 0 40 HJAB COc1ccc2c(c1OC)C(=O)N1C[C@H](c3ccccc3)c3c([nH]c4ccccc34)[C@@H]21 4084449 QJGVFTGFUHOFRH-HOYKHHGWSA-N 410.473 4.876 0 40 HJAB biogenic COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2OC)c(OC)c1 4616876 BXEJTVFSQKSIHC-PXDATVDWSA-N 416.477 4.955 0 40 HJAB CCC[C@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 4628435 NNIQESUFOAKTMF-HDDXYUSQSA-N 400.588 4.907 0 40 HJAB Cc1cccc(Nc2nnc(SCC(=O)N[C@H]3CCCc4ccccc43)s2)c1 4838084 ATQKOJIADFDWOK-SFHVURJKSA-N 410.568 4.876 0 40 HJAB CC[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cnc2ccccc2c1=O 5269779 ABHZQPGRKOZNIA-MRXNPFEDSA-N 409.795 4.659 0 40 HJAB CCc1cccc(CC)c1NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 5864201 ZTCHFJPWNOCHET-UHFFFAOYSA-N 414.505 4.980 0 40 HJAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(OCC(C)C)cc1 6449898 OKLLYNKXEGSGPN-UHFFFAOYSA-N 421.526 4.757 0 40 HJAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 6571194 LPAMWOMFYWGENP-RDJZCZTQSA-N 412.584 4.783 0 40 HJAB CCOc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1ccc(F)cc1)=N2 6601922 SXFBIZBTDLCMGH-UHFFFAOYSA-N 419.456 4.676 0 40 HJAB CCOc1ccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)cc1 6963062 GFMPAJMZBDXUDC-UHFFFAOYSA-N 412.555 4.510 0 40 HJAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCc2ccccc21 7778412 VHMBIWAHMJNICR-UHFFFAOYSA-N 412.536 4.655 0 40 HJAB O=C(Nc1cccc(-c2nc(-c3cc4c5c(c3)CC(=O)N5CCC4)cs2)c1)C1CC1 8042096 ZBJUGAOTCJWKFQ-UHFFFAOYSA-N 415.518 4.661 0 40 HJAB Cc1ccc(CN(C)C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c(C)c1 8132687 IQAKXCPCSMUVAO-UHFFFAOYSA-N 406.555 4.512 0 40 HJAB Cn1c(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)nc2ccccc21 8133175 VLZSLBSZHVPZRW-UHFFFAOYSA-N 416.506 4.556 0 40 HJAB COc1ccc(N(CC(=O)Nc2cc(C)ccc2C)c2n[nH]c(=S)s2)cc1 8410843 VYKYIULPIHQGOT-UHFFFAOYSA-N 400.529 4.603 0 40 HJAB Nc1c(C(=O)NCCc2c[nH]c3ccccc23)sc2nc3c(cc12)CCCCC3 8748700 SHZJIHKRBCAWBJ-UHFFFAOYSA-N 404.539 4.601 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)cc1 8988204 SAFTWWQMMGYCJS-GFCCVEGCSA-N 419.428 4.971 0 40 HJAB O=C(Nc1cccc(Br)c1)C1CCN(Cc2ccccc2Cl)CC1 9063193 SCJACPDTUVQTIV-UHFFFAOYSA-N 407.739 4.953 0 40 HJAB Cc1ccc(N2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)cc1C 10273003 SGKDMYXEWQKLRA-UHFFFAOYSA-N 410.470 4.778 0 40 HJAB O=C(/C=C/c1ccc(Br)o1)OCC(=O)c1ccc(Cl)cc1Cl 11194222 NMUYQSSNNPIGRG-ZZXKWVIFSA-N 404.043 4.788 0 40 HJAB COc1cc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)cc(OC)c1 11247385 MMGGQVTZHWNWRY-UHFFFAOYSA-N 407.401 4.607 0 40 HJAB CCCCSc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1 11758351 WBAJWWVNYUZCKM-UHFFFAOYSA-N 424.595 4.838 0 40 HJAB O=C1Nc2ccccc2[C@]12Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 12124618 QBOVYOUGOKOQIY-OFNKIYASSA-N 401.853 4.689 0 40 HJAB CCOc1ccccc1NC(=O)Cn1c(-c2ccc(OC)cc2)cc2cccnc21 12222218 UGWFWMIQFKWULK-UHFFFAOYSA-N 401.466 4.749 0 40 HJAB COc1cc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2C(F)F)cc(OC)c1 12547285 BAKLAUSLKUGAMK-LLVKDONJSA-N 407.442 4.568 0 40 HJAB CCC(CC)NC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1 12548406 CSIMMQCLBNYFAH-UHFFFAOYSA-N 402.541 4.621 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2cc(F)c(Cl)cc2Cl)N2CCCC2)cc1 12739889 RVAUQBAHZAJSKT-LJQANCHMSA-N 411.304 4.708 0 40 HJAB CCCOc1ccc2ccccc2c1CN(C)C(=O)CNC(=O)c1ccccc1Cl 12849620 CFVQGGYYGHLGKX-UHFFFAOYSA-N 424.928 4.670 0 40 HJAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(C)c3)CC2=O)cc1 13063067 AKXJHQAPXSZPIC-FQEVSTJZSA-N 411.505 4.922 0 40 HJAB Brc1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)cc1 13146973 HONMOBIEDAAPGC-UHFFFAOYSA-N 413.363 4.897 0 40 HJAB Cn1ccnc1[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccc(F)cc1 14402410 IPKGWVMBDWFGHG-HXUWFJFHSA-N 409.848 4.992 0 40 HJAB O=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCc1cccs1 16849158 DZYBSNSLPQTPKL-UHFFFAOYSA-N 420.947 4.751 0 40 HJAB Cc1nc(C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)nn1-c1ccc(F)cc1 18130658 NCDKOFRTERXSPK-UHFFFAOYSA-N 424.863 4.900 0 40 HJAB COc1ccccc1/C=C/CN1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 19081773 MFADXOOQCKMLBA-KTOXQQQISA-N 421.585 4.719 0 40 HJAB Cc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)c2ccncc2)cc1 19210356 HPEGEEKWHGCOGZ-HJOGWXRNSA-N 417.578 4.582 0 40 HJAB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)N1CCC[C@@H]2CCCC[C@@H]21 19354847 BIHLQEJWPWIFQH-BBRMVZONSA-N 409.477 4.922 0 40 HJAB Cc1cc(CN2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc(C)c1O 19570008 IPZRTGFMJUZJGP-FHLIZLRMSA-N 408.468 4.850 0 40 HJAB O=C1[C@H](C2CCN(CCc3ccccc3)CC2)CC=CCN1Cc1ccc(F)cc1 19696286 ZKJFWAZLQOCDDE-VWLOTQADSA-N 406.545 4.685 0 40 HJAB COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)n2)cc1 21167969 HREOCKMPXCQPHH-CQSZACIVSA-N 410.543 4.897 0 40 HJAB CCSc1nnc(SC[C@H](O)COc2ccc(-c3ccccc3)cc2)s1 22132222 UJCNWNGGNCSCHI-MRXNPFEDSA-N 404.582 4.849 0 40 HJAB CC(C)c1ccccc1N(CC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O 22383530 HTCFRERYUXHKTR-UHFFFAOYSA-N 415.342 4.522 0 40 HJAB CC[C@@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 22517159 DNBKRLWLOOTZAH-JOCHJYFZSA-N 422.550 4.701 0 40 HJAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 30753812 VRZCLLQAXFYJOU-UHFFFAOYSA-N 407.558 4.701 0 40 HJAB COc1ccccc1-c1nc(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)no1 32647507 NJGQQOLKGANLSF-UHFFFAOYSA-N 407.376 4.943 0 40 HJAB COc1ccccc1[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1nccn1C 32764550 GQBFXCQKDNCEFB-FQEVSTJZSA-N 418.324 4.574 0 40 HJAB C[C@H](Sc1nnc([C@@H](C)Oc2ccc(F)cc2)o1)C(=O)Nc1ccc(Cl)cn1 32945460 BQHUXEGZSSFIQI-MNOVXSKESA-N 422.869 4.516 0 40 HJAB COc1ccc(C(=O)c2sc3nc(-c4ccccc4OC)ccc3c2N)cc1OC 35323994 HAMSRRJHMKWRPI-UHFFFAOYSA-N 420.490 4.802 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2cccc(C)c2)CC1 44855662 MSCSMKNBPYHTDM-QHCPKHFHSA-N 422.569 4.634 0 40 HJAB COc1ccc([C@H](CC(C)C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 44902559 DOBXWJUQYCNEEU-NRFANRHFSA-N 402.494 4.712 0 40 HJAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)C1 45887328 PMOHEXALVFYURG-NSHDSACASA-N 419.264 4.718 0 40 HJAB COc1ccc(-c2nnc([C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)o2)cc1 49170155 WKGCXGPDLKMMAF-INIZCTEOSA-N 403.404 4.754 0 40 HJAB biogenic,in-vitro COc1ccc(Br)c(C(=O)N(Cc2cccs2)Cc2cccn2C)c1 49410030 QCCLLDGOSYYXSP-UHFFFAOYSA-N 419.344 4.700 0 40 HJAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1)C1CC1 72215329 MUXDMDBHGYBUDE-FQEVSTJZSA-N 407.514 4.963 0 40 HJAB CCCn1c(CNC(=O)c2ccc(Oc3ccccc3OC)o2)nc2ccccc21 72265308 RWEWAAFSVKHVJJ-UHFFFAOYSA-N 405.454 4.770 0 40 HJAB CN(C)C(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C2CCC2)CC1 72345202 UYOYJYMTRTVHAF-UHFFFAOYSA-N 422.544 4.532 0 40 HJAB CCCn1ncc(C(=O)Nc2nc(-c3c(C)[nH]c4ccc(OC)cc34)cs2)c1C 72390351 POEPCNCXGCKRQR-UHFFFAOYSA-N 409.515 4.776 0 40 HJAB Cc1nc(C)c(C(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)s1 72393382 AWKFSRAUNHQQIG-UHFFFAOYSA-N 418.006 4.729 0 40 HJAB O=C(O[C@H]1CCCCC1=O)c1ccc(COc2ccccc2Br)cc1 95369362 WBQSANHXHWZWKI-IBGZPJMESA-N 403.272 4.697 0 40 HJAB CC(C)(C)[C@@H]1CCc2onc(C(=O)NC3(CN4CCCCC4)CCCCC3)c2C1 141544882 VILZYWKVUKDHEM-GOSISDBHSA-N 401.595 4.744 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 222967309 WIZJOQOGBNPKAK-SFHVURJKSA-N 412.549 4.609 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 223685734 DVUUUATWWXFQBY-KRWDZBQOSA-N 418.990 4.684 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(C)cc1C 223928963 UENLFOJXSKNKOP-HSZRJFAPSA-N 422.550 4.985 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1 224420628 ZUHODEXEOZPWMZ-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 224767808 PTWNRNVIJTYSQB-HSZRJFAPSA-N 412.549 4.565 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 225055918 XYBVEPPKOPFQDG-WOJBJXKFSA-N 412.599 4.809 0 40 HJAB FC(F)(F)c1cc(Oc2ccccc2)nc(NC(=S)NCc2ccccc2)n1 225929469 YAXUBXCFARDWPY-UHFFFAOYSA-N 404.417 4.774 0 40 HJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)Cc3ccc(F)cc3)CC2)n1 257233551 GPSCZEJIANJJTP-XUTJKUGGSA-N 418.516 4.619 0 40 HJAB O=C1O[C@]2(CCN(C(=O)c3ccccc3-c3ccccc3)C2)CN1Cc1ccccc1 257297393 RHBRHEMTDKDCCY-SANMLTNESA-N 412.489 4.591 0 40 HJAB O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 408923850 HJEFGJAWHFWZQY-UHFFFAOYSA-N 416.502 4.822 0 40 HJAB Cc1nc(S/C(=C\c2cn(Cc3cccc(Cl)c3)c3ccccc23)C(=O)O)n[nH]1 409195483 VNZSCBWMPLIBNF-GRSHGNNSSA-N 424.913 4.987 0 40 HJAB COc1ccc2c(ccn2CCCNC(=O)C[C@@H](c2ccsc2)n2cccc2)c1 524735742 VZQXCJUEMNJDOK-QFIPXVFZSA-N 407.539 4.699 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCC[C@@H](CCO)c1ccsc1 575606721 JBNUURBSFOWAPK-AWEZNQCLSA-N 404.919 4.651 0 40 HJAB Cc1cc(C(=O)NCC(F)(F)c2ccccc2C)nc(-c2ccc(Cl)cc2)n1 1533655339 RRYOBDXWEQYJOU-UHFFFAOYSA-N 401.844 4.936 0 40 HJAB O=C(Nc1cccnc1Cl)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 673940 GTTFBRYMKQDKAA-LSDHHAIUSA-N 421.810 4.844 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](OC(C)=O)c1ccccc1 706879 RCWYVYDSNHGJRK-HXUWFJFHSA-N 423.490 4.835 0 40 HJAB O=C(Nc1cccnc1Cl)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 845059 ZXWXTQCPQLFJFT-UHFFFAOYSA-N 423.807 4.777 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)n2C)c1 976886 UTTVBQUTXIXQHN-UHFFFAOYSA-N 418.522 4.587 0 40 HJAB CCC(=O)Nc1cccc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)c1 1342996 TVZISHSGUSRWEK-UHFFFAOYSA-N 408.527 4.833 0 40 HJAB CC(=O)N1c2ccc(-c3csc(NC(=O)/C=C/c4ccccc4)n3)cc2C[C@@H]1C 1365523 FFMILJTWDYACHP-SHQCLWGWSA-N 403.507 4.760 0 40 HJAB Cc1ccc(-n2ncc3c2ncn2c(-c4cc5ccccc5cc4O)nnc32)c(C)c1 2242022 MJCVSHZOWFTBEC-UHFFFAOYSA-N 406.449 4.606 0 40 HJAB CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)c1 2422695 FQBAEOVLFOGBID-IBGZPJMESA-N 418.474 4.706 0 40 HJAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N(CCO)Cc2ccccc2)cc1Cl 3354085 DDFYAVYBHVYDFS-HSZRJFAPSA-N 424.928 4.523 0 40 HJAB C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1cccc(Cl)c1 3490803 RUPFRHPOKNOLHW-LBPRGKRZSA-N 404.948 4.923 0 40 HJAB CC(C)(C)n1nc2c(c1NC(=O)c1ccc(C(=O)c3ccccc3)cc1)CSC2 4077250 BAQLFAMPPIMAKT-UHFFFAOYSA-N 405.523 4.868 0 40 HJAB Cc1cc(C)c(C2=Nc3ccccc3C(c3ccccc3)(c3ccccc3)N2)c(=O)[nH]1 4171124 WHGAWCSXCXTHNX-UHFFFAOYSA-N 405.501 4.965 0 40 HJAB COc1ccc(N2C(=O)[C@@H](OCc3ccccc3)[C@H]2C2=C(C)C[C@H]3[C@@H]2C3(C)C)cc1 4671243 ZEMGHTNDLJHOHA-XGAJZPNHSA-N 403.522 4.988 0 40 HJAB CC[C@H](C)NC(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 4713931 POHKRNPXCKMSRA-QMMMGPOBSA-N 402.829 4.658 0 40 HJAB Nc1c(Cl)cc(Br)c(-c2nc3ncccc3o2)c1Br 4736611 HSEXFWIUQFQUQS-UHFFFAOYSA-N 403.461 4.650 0 40 HJAB O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1OC(=O)c1ccc(Cl)cc1 4852756 NQAPUXVLVBZPGY-RGEXLXHISA-N 403.821 4.904 0 40 HJAB C[C@H]1CCCN(CC(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(F)cc2)C1 5030976 WJVSQCGOLIVPSF-HNNXBMFYSA-N 410.514 4.738 0 40 HJAB CN(C)CCN(C(=O)Cc1cccc2ccccc12)c1nc2ccc(F)cc2s1 5115274 XCGSBOLTMDGBKS-UHFFFAOYSA-N 407.514 4.726 0 40 HJAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nccn2-c2cccc(F)c2)c1C 5178174 SANFQLFYQKMRES-OAHLLOKOSA-N 401.507 4.612 0 40 HJAB CC(C)(C)c1ccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCC2)cc1 5976767 XAEWQTGXISKAII-UHFFFAOYSA-N 403.526 4.806 0 40 HJAB Cc1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c(Cl)c1 6272300 GYRNHIKODITUGH-UHFFFAOYSA-N 403.869 4.659 0 40 HJAB COc1ccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1 6564961 UQMOAVBQIIIKAX-HXUWFJFHSA-N 411.505 4.808 0 40 HJAB O=C(COc1ccccc1Cc1ccccc1)NCCc1ccc(OC(F)F)cc1 6604799 WLTSYAHPLSCUDI-UHFFFAOYSA-N 411.448 4.617 0 40 HJAB COc1cc([C@@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1ccc(C)cc1 6678801 UIZBYQWMMGBTHK-VFNWGFHPSA-N 423.538 4.777 0 40 HJAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCc3ccco3)cc2c1 8686595 URSUSGRZDDJFDE-UHFFFAOYSA-N 423.563 4.568 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccccc3C)c3ncnn32)cc1 9288991 FUCBGPFTGLTKDZ-BJKOFHAPSA-N 424.504 4.976 0 40 HJAB CCc1ccc([C@H](NC(=O)c2ccc3c(c2)NC(=O)CS3)c2cccs2)cc1 9902094 TXLQZEYVXNYPRY-NRFANRHFSA-N 408.548 4.874 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccc(C)cc2)cc1 10060277 BFNOXHJECMWYKS-ZEQRLZLVSA-N 424.504 4.976 0 40 HJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1 11115455 WNYJAXFXZBKDEY-VQTJNVASSA-N 413.930 4.856 0 40 HJAB Cc1cccc(NC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)c1C 12137594 BMMKETYNUYGTGZ-UHFFFAOYSA-N 420.534 4.888 0 40 HJAB O=C1C[C@@H]([C@H]2CCCN(C(=O)c3ccc(-c4ccccc4)[nH]3)C2)Oc2ccccc21 12237001 HSSJFMDOEFWHTF-UUOWRZLLSA-N 400.478 4.568 0 40 HJAB COc1ccc(-c2nc(C)c(C(=O)Nc3nc4ccccc4s3)s2)cc1OC 13689298 HYIHQDGESGTSTF-UHFFFAOYSA-N 411.508 4.998 0 40 HJAB O=C(COc1ccc2c(c1)OC1(CCCCC1)CC2=O)Nc1ccc2[nH]ccc2c1 13719026 NMKWVVTUZOFMCY-UHFFFAOYSA-N 404.466 4.854 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 14257277 WCHOFWQIMPFQIV-UHFFFAOYSA-N 413.339 4.924 0 40 HJAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(F)cc2)o1 16000280 IUPDJZIXYDOLRL-CQSZACIVSA-N 413.540 4.820 0 40 HJAB CNC(=O)COc1ccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)cc1 16945613 DQGCBKDGXDTYHH-UHFFFAOYSA-N 418.884 4.819 0 40 HJAB COc1ccc([C@H](CNC(=O)CCCc2nc3ccccc3s2)N2CCCC2)cc1 17911619 ASSNLEXNZSIDST-NRFANRHFSA-N 423.582 4.581 0 40 HJAB CC(=O)N[C@H](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(F)cc1 19020032 BCUWZSGMVMRNGF-ZJSXRUAMSA-N 422.525 4.629 0 40 HJAB O=C(c1ccccn1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373244 YFWORUWXXWTRHB-QFIPXVFZSA-N 422.492 4.655 0 40 HJAB Cc1noc2nc(C3CCN(C(=O)Cc4ccccc4F)CC3)cc(C(F)(F)F)c12 19564800 WXFSVWBTFBZRBD-UHFFFAOYSA-N 421.394 4.638 0 40 HJAB CN(C)c1cc([C@@H]2CCCN(Cc3cccc4ncccc34)C2)nc(-c2ccncc2)n1 19584592 BPEPDYVHJXPJJY-OAQYLSRUSA-N 424.552 4.532 0 40 HJAB CCOC(=O)c1ccc(-c2ccc(I)cc2C(F)(F)F)o1 20169043 RNEKVLWKGPLHRR-UHFFFAOYSA-N 410.129 4.747 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 25051145 VONAVMBALSAYLR-CQSZACIVSA-N 408.329 4.508 0 40 HJAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(Br)cc3F)c2)n1 27970771 VNUWSNOPRFONHR-UHFFFAOYSA-N 402.267 4.702 0 40 HJAB CC(C)c1ccc(OCC(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCOCC2)cc1 28290613 QHFPBPOKUGRHPK-RUZDIDTESA-N 424.585 4.502 0 40 HJAB CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(C)c2)cc1 28527943 OXBFXJWBQKJNFI-UHFFFAOYSA-N 419.529 4.950 0 40 HJAB COCCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3F)o2)C[C@H]1C(C)C 30883430 OBIQXIRRHQDAIV-BJLQDIEVSA-N 401.526 4.509 0 40 HJAB biogenic,in-vitro O=C(Cn1c(SC(F)F)nc2ccccc21)N[C@H]1CCSc2ccc(F)cc21 31499257 WWRSDOGTPVQYHE-ZDUSSCGKSA-N 423.485 4.843 0 40 HJAB C[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1cccc(Br)c1 32924575 JYTRYUMIOMGCIP-CQSZACIVSA-N 414.303 4.699 0 40 HJAB Cc1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1C 38833611 CPYAJSKAZKPTNL-UHFFFAOYSA-N 401.348 4.917 0 40 HJAB Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)CC(=O)Nc1c(C)cccc1C 40070059 FOABFMGYTDHXPE-UHFFFAOYSA-N 401.572 4.771 0 40 HJAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl 44946906 XRBAOXXSZBVQNU-UHFFFAOYSA-N 408.690 4.624 0 40 HJAB COc1ccc(Br)cc1COC(=O)c1cc(C2CC2)nc2onc(C)c12 48252085 HMXNLZQGPSKUDY-UHFFFAOYSA-N 417.259 4.537 0 40 HJAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1COc1ccccc1 58314988 GUOHMBPSRATKHC-IBGZPJMESA-N 404.485 4.661 0 40 HJAB CC(=O)Nc1ccc(S(=O)(=O)N(c2ccc3[nH]ccc3c2)[C@@H](C)CC(C)C)cc1 60348722 GUTCZSPPCNKTKU-INIZCTEOSA-N 413.543 4.756 0 40 HJAB FC(F)(F)c1cccc(C2(CNc3nccc(C(F)(F)F)n3)CCOCC2)c1 65587324 REBNWIDBMXJXQK-UHFFFAOYSA-N 405.342 4.675 0 40 HJAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C3CC3)s2)C12CCCC2 72402035 FUOIEJWZDOXSRJ-SFHVURJKSA-N 424.570 4.707 0 40 HJAB COc1ccc2cc(C(=O)Nc3ccccc3C(=O)N3C[C@@H](C)C[C@H](C)C3)[nH]c2c1 89920254 RENCQXYIAVSQRO-HOTGVXAUSA-N 405.498 4.547 0 40 HJAB Fc1ccc(Br)cc1[C@@H]1C=C(c2ccc(Cl)cc2)Nc2ncnn21 102046732 IJXNCOBBJVXZCQ-INIZCTEOSA-N 405.658 4.889 0 40 HJAB CCn1ncc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)c1C 118916086 VKRFPVDWWWRUGS-JQTKZSLPSA-N 410.602 4.889 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1 223790349 YIRMRNQSBYMLMN-SFHVURJKSA-N 412.961 4.667 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1)c1ccccc1 224124368 XBBUPLOQNCNQFB-JOCHJYFZSA-N 422.550 4.701 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 224311844 FWVJFZYKCNMDDD-FQEVSTJZSA-N 418.990 4.517 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 224738961 QQMLNUDBDIOJOB-JOCHJYFZSA-N 414.977 4.771 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(C(F)(F)F)c3)o2)c(OC)c1 224868511 AXJAJMQSZWHPQL-UHFFFAOYSA-N 420.387 4.949 0 40 HJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 224956239 LNHZXZVLSSPVPS-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Oc1cccc(CN2CCN(C(=S)Nc3ccc(Nc4ccccc4)cc3)CC2)c1 225220639 ZYXIHPUBHPPCOW-UHFFFAOYSA-N 418.566 4.650 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 225224406 ISODYHVTGAVUTI-NRFANRHFSA-N 400.950 4.525 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 225613943 RGOHTHSHAZDKDI-IIBYNOLFSA-N 418.940 4.744 0 40 HJAB O=C([C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)N1CCOc2ccccc21 225910257 AVCDVOAQPRBERA-HNNXBMFYSA-N 405.325 4.631 0 40 HJAB S=C(NCc1ccccc1)Nc1nc(Oc2ccccc2)cc(N2CCCCC2)n1 225927503 YKMNJTXWSYMLJB-UHFFFAOYSA-N 419.554 4.746 0 40 HJAB C[C@@H](NC(=S)Nc1nc(N2CCCCC2)cc(N2CCCCC2)n1)c1ccccc1 225957951 HJTZTKSQDNVHCO-GOSISDBHSA-N 424.618 4.505 0 40 HJAB O=C(NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1Oc1ccccc1 257232544 GLIBNMXBHRGPFA-UHFFFAOYSA-N 421.396 4.616 0 40 HJAB COc1ccccc1NCN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 408720041 WFOZXUFLYAVDII-MHWRWJLKSA-N 419.300 4.564 0 40 HJAB COc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(Br)cc3)n2C)cc1 409203683 YNIBTEBLYDHLPG-VZCXRCSSSA-N 417.328 4.574 0 40 HJAB O=C(c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2)N1CCc2c[nH]nc2C1 676827963 NDJYCMOGYJIPRT-JXAWBTAJSA-N 406.489 4.643 0 40 HJAB FC(F)(F)c1ccc([C@@H]2CN(Cc3nc(-c4cccc(Cl)c4)no3)CCO2)cc1 679871499 UTIUTDUNCABCMH-KRWDZBQOSA-N 423.822 4.982 0 40 HJAB CC1(C)C[C@]2(CCCN2C(=O)c2cccnc2C(F)(F)F)CN1c1ccc(F)cc1 2037988449 JLXMQCXOHQKXOU-OAQYLSRUSA-N 421.438 4.903 0 40 HJAB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)Nc1cccc2ccccc12 886837 YCDQWQOCZJAJJK-UHFFFAOYSA-N 403.442 4.529 0 40 HJAB COc1ccc(NC(=O)[C@@H](C)n2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 937727 QTBCYGHWHOQKBB-CQSZACIVSA-N 419.506 4.642 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccn(Cc2cccc(Cl)c2)c1=O 1391132 DJIUUWQBEBSWSV-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)c1 2411398 BGOYGWDZGLBOFY-HXUWFJFHSA-N 421.836 4.793 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2F)N1c1ccc(Cl)cn1 2413552 MCTKBAZTJZCDAX-IBGZPJMESA-N 406.800 4.730 0 40 HJAB CCCSc1nnc2c(n1)O[C@H](c1cccc(OC)c1OC)Nc1ccccc1-2 2742155 PXAOZEKWXXKMIM-LJQANCHMSA-N 410.499 4.561 0 40 HJAB O=C1N[C@@H](c2ccccc2Cl)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 4525610 CUQFOSGSPVKUHZ-HXUWFJFHSA-N 409.942 4.814 0 40 HJAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)s1 4555062 IGYZTHSXFPGWKR-QFIPXVFZSA-N 411.910 4.717 0 40 HJAB Cc1ccc(SCCC(=O)N(CCN(C)C)c2nc3c(F)cccc3s2)cc1 4585261 KOTMGRPADRZJEM-UHFFFAOYSA-N 417.575 4.821 0 40 HJAB Cc1ccc(NC(=O)CSc2nccn(-c3ccc(C)c(Cl)c3)c2=O)c(C)c1 4853068 CCOUZIQXLMQPJA-UHFFFAOYSA-N 413.930 4.542 0 40 HJAB CCOc1cc(C(=O)OCc2nc3ccccc3s2)cc(OCC)c1OCC 5112957 ZKFWLECFSWTNEG-UHFFFAOYSA-N 401.484 4.849 0 40 HJAB Cc1ccc(-n2c(SCC(=O)NC3CCCC3)nnc2-c2ccccc2)cc1C 5624163 WZMALCLRDJXGOV-UHFFFAOYSA-N 406.555 4.702 0 40 HJAB CCn1c(-c2ccc(C)cc2)cs/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O 5668025 QQVZHIVKAACNIN-VHXPQNKSSA-N 404.539 4.575 0 40 HJAB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)CC1 6306564 LJLNMBJOHCCCOG-UHFFFAOYSA-N 420.340 4.550 0 40 HJAB Cc1cc(C)cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1 6736950 FOOJDROKUIXAEA-UHFFFAOYSA-N 413.905 4.823 0 40 HJAB COc1cc(CN(C)[C@H](C)c2nnc(-c3ccc(C)cc3)o2)ccc1OC(F)F 7781808 UJXTYXTURLPXFR-CQSZACIVSA-N 403.429 4.848 0 40 HJAB O=C1c2ccccc2N[C@@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1C1CC1 7886297 AQRWLUWDKQMAAG-XMMPIXPASA-N 407.477 4.663 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)c1C 8429218 UGRWCYFVFBDBDV-HNNXBMFYSA-N 408.527 4.656 0 40 HJAB COc1cccc(/C=C/C(=O)N(Cc2ccccc2)c2ccccn2)c1OC(F)F 8780286 UXIORLDYHOBMNS-BUHFOSPRSA-N 410.420 4.938 0 40 HJAB COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)c1 8827468 LBCLWJDGHMSXFP-HXUWFJFHSA-N 418.836 4.600 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 9047126 KLDYPXRCRYXCRR-YOEHRIQHSA-N 412.820 4.567 0 40 HJAB O=C1c2ccccc2N[C@@H](c2ccc(-n3cnc4ccccc43)cc2)N1C[C@H]1CCCO1 9339200 HQSLLIUVIJVRKM-CJFMBICVSA-N 424.504 4.771 0 40 HJAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc3ccccc3c2)cs1 9599536 SZSRXBHXXJGUCM-UHFFFAOYSA-N 422.531 4.766 0 40 HJAB CCN(c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1)S(C)(=O)=O 10008624 DXFQIPWVRIRZMA-UHFFFAOYSA-N 410.495 4.517 0 40 HJAB CCOc1ccc(C(=O)CSc2nccn(-c3cccc4ccccc34)c2=O)cc1 12415317 GLEBOKBHESINMN-UHFFFAOYSA-N 416.502 4.759 0 40 HJAB Cc1nn(Cc2cccc3ccccc23)c(Cl)c1[C@@H]1NC(=O)c2ccccc2N1 12533691 FZGYCSHINLLMRU-QFIPXVFZSA-N 402.885 4.901 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)cc1 12602825 DXZUWTFLRXCVQV-UHFFFAOYSA-N 401.491 4.959 0 40 HJAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cccc(Br)c1 12618199 ZZDYIMNPZYCFFM-UHFFFAOYSA-N 407.214 4.954 0 40 HJAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCC[C@H]2CCCC[C@H]21 12798409 WIADKBODMBAOFZ-NFBKMPQASA-N 400.526 4.788 0 40 HJAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1F 12853687 VWQSSLCYRBXNDD-VIFPVBQESA-N 411.804 4.546 0 40 HJAB COc1ccccc1CN1CCC([C@@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 19570096 DKGNZXGTOMIJHE-AREMUKBSSA-N 421.585 4.740 0 40 HJAB CCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)c3ccn(CC)n3)cc2)O[C@@H](C(C)C)C1 19711861 OELYRYKVDARXPH-MZYLBHOOSA-N 412.578 4.742 0 40 HJAB CCN(CC)[C@H]1C[C@@H](c2ccccc2NC(=O)c2cnc(C)cn2)O[C@@H](C(C)C)C1 19712196 MJQRCNZKZZGVLE-YSZBQJHXSA-N 410.562 4.624 0 40 HJAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCCCCC5)C4=O)cc3)sc2c1 19890036 OQMLVSOSOHGAHK-HXUWFJFHSA-N 419.550 4.780 0 40 HJAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 22253274 MWONKPZCBYPVLC-NVXWUHKLSA-N 409.555 4.676 0 40 HJAB Cc1cccc(C)c1NC(=O)[C@H](C)N1CCN(Cc2csc3ccccc23)CC1 22930203 ONJLTHVMQITBMR-IBGZPJMESA-N 407.583 4.663 0 40 HJAB Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@@H]3c3cccs3)c2c1C 25346898 DZNHHAOSKDSLGF-MRXNPFEDSA-N 414.600 4.543 0 40 HJAB CN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@H]1CCCc2ccccc21 32718837 PDFDLFUYRKIJQZ-KRWDZBQOSA-N 411.552 4.535 0 40 HJAB Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1 33067869 SSNZSOOUALVKRB-UHFFFAOYSA-N 414.465 4.534 0 40 HJAB COc1ccc(-c2noc(CSc3ccc(-c4ccccc4F)nn3)n2)cc1OC 33262541 BRGLTSOVYRIAAH-UHFFFAOYSA-N 424.457 4.642 0 40 HJAB O=c1cc(CSc2nc(NC3CCCCC3)c3ccccc3n2)nc2ccccn12 34138669 HHDPUYRYQFTEQP-UHFFFAOYSA-N 417.538 4.675 0 40 HJAB CCCCOc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 35318916 SEVMONDQWSURJP-NRFANRHFSA-N 421.497 4.901 0 40 HJAB CCc1cccc(C)c1Nc1c(-c2cc(OC)c(O)c(OC)c2)nc2ncccn12 35606570 FHIKDKHEIPDECQ-UHFFFAOYSA-N 404.470 4.734 0 40 HJAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(OC)c(OC(C)C)c2)cc1 36353205 AALPPSPTJOXDPF-SFHVURJKSA-N 407.470 4.800 0 40 HJAB CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cc(C)cc(C)c2)C1 44803826 IEGURYTYFGOIGC-LJQANCHMSA-N 418.541 4.891 0 40 HJAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 44901844 PEPLQCUIIZDBDM-UHFFFAOYSA-N 422.532 4.673 0 40 HJAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)o1 48260987 XQIREKVYCABCFS-KDOFPFPSSA-N 401.453 4.735 0 40 HJAB O=C(CSCc1ccc(Cl)cc1Cl)N1CCN(c2ccc(F)cc2)CC1 58689444 IDSRKEMDWOSGRZ-UHFFFAOYSA-N 413.345 4.715 0 40 HJAB CCc1ccc(-c2noc(-c3nn(-c4ccc(F)cc4)c(=O)c4ccccc34)n2)cc1 64949998 ZPQPZJHNBVBHKV-UHFFFAOYSA-N 412.424 4.804 0 40 HJAB Brc1cccc(C2(c3nc(COc4ccccc4)no3)CCOCC2)c1 71890013 VRXJUNOWWSYZLS-UHFFFAOYSA-N 415.287 4.508 0 40 HJAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 77200130 HRQSPBRBXCQAJH-MSOLQXFVSA-N 406.404 4.995 0 40 HJAB CC(C)(C)OC(=O)N1CCc2cccc(CNCc3ccccc3Cn3ccnc3)c21 79097376 YONTWXZUCQFQJT-UHFFFAOYSA-N 418.541 4.519 0 40 HJAB CC(C)c1cnc(COC(=O)[C@H](C)Oc2ccc(Br)cc2F)s1 96008814 GNYQDBIWLUJCQC-JTQLQIEISA-N 402.285 4.679 0 40 HJAB CC(C)c1ccc(NC(=O)c2cc(-c3cnc(N(C)C)nc3)cn2CC2CC2)cc1 96266416 OXVFJYNAAOCVTA-UHFFFAOYSA-N 403.530 4.797 0 40 HJAB COc1cc(/C=C2/N=C(c3cccs3)OC2=O)cc(OC)c1OCc1ccccc1 96920817 VELJGVWALKAHEG-GZTJUZNOSA-N 421.474 4.689 0 40 HJAB CCOc1c(C[C@@H]2C(=O)N(CC)c3ccc(Br)cc32)cccc1OC 101014912 UBUHGCNLNBHIMG-INIZCTEOSA-N 404.304 4.549 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 222489384 BAOTWPUNHINALE-XMMPIXPASA-N 424.585 4.794 0 40 HJAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 222762805 ZBXSXOSEGJMBDI-QHCPKHFHSA-N 413.539 4.923 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 223269589 IDJXTSBGAAQORD-HSZRJFAPSA-N 408.586 4.876 0 40 HJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 223754932 SMHRZEYVRBYELN-LEWJYISDSA-N 406.555 4.824 0 40 HJAB Cc1ccc(C(=O)NC(C(C)C)C(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 224051570 UEUREYLOTPFDJT-UHFFFAOYSA-N 422.978 4.860 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 224316068 LAVTUTKQNLJNHA-MRXNPFEDSA-N 421.368 4.725 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 224912457 LRSJNYLDYNOOHZ-INIZCTEOSA-N 421.368 4.788 0 40 HJAB COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCC1 225009912 AHEAHFZTJNFQTO-GOTSBHOMSA-N 418.566 4.796 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC[C@@H](C)c2ccccc2)cc1 225139831 SGIPNIDQKAHZNX-OSVNEOKWSA-N 404.535 4.747 0 40 HJAB COc1ccc(CCNC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1OC 225260648 LXPGLBAQZPLAIP-UHFFFAOYSA-N 415.493 4.528 0 40 HJAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCOCC4)cc3)CCCCC2)cc1 225542269 BRBVGVYSPKISLC-UHFFFAOYSA-N 422.569 4.547 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 225641662 AGHXWAVLVRHSST-AVRDEDQJSA-N 414.977 4.913 0 40 HJAB CN(C)C(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 225780530 XCDGBAOCJHGKBC-UHFFFAOYSA-N 408.885 4.873 0 40 HJAB O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)N1CCOc2ccccc21 225907176 PQQIIKJGSXGBEX-MRXNPFEDSA-N 405.325 4.631 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)c3cc(C(C)C)on3)CC2)on1 257287971 PSGLSLBEQBCLNJ-QAQDUYKDSA-N 423.517 4.564 0 40 HJAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H](Cc2cn3ccnc3cn2)CC1 257300627 RVCWAVDZBCHXJE-NRFANRHFSA-N 424.548 4.733 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)cc1 408689936 ZTMZXBJIDDEFHA-DUXSXAKTSA-N 408.885 4.602 0 40 HJAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2nc(SCc3ccccc3)sc2c1 408751068 WBLFDCRMGKNGRZ-HZVDNRATSA-N 418.543 4.900 0 40 HJAB Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 603696582 TWFGRHALBSVJIF-CYBMUJFWSA-N 406.511 4.951 0 40 HJAB COc1cccc([C@@H](C)C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 1528558743 JSSZBIFABHVDAN-OPAMFIHVSA-N 416.512 4.809 0 40 HJAB Oc1cccc(CN[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c1Cl 1662536457 MNKHQJVDYIFRQX-PGRDOPGGSA-N 413.876 4.726 0 40 HJAB CSc1nc(OCC(=O)c2ccccc2)c2c3c(sc2n1)COC(C)(C)C3 2293787 PQSUYCUUOBWLTG-UHFFFAOYSA-N 400.525 4.526 0 40 HJAB COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2402940 GSGAMCUQPCIYGT-QFIPXVFZSA-N 415.445 4.757 0 40 HJAB O=C(CCOc1ccccc1F)OCC(=O)N1c2ccccc2Sc2ccccc21 2630206 GSZFCIBUDBHSDR-UHFFFAOYSA-N 423.465 4.967 0 40 HJAB O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc2c1)[C@@H]1CCCO1 4043296 AGDROMOVIYBYPN-KRWDZBQOSA-N 405.233 4.851 0 40 HJAB CCCCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1S[C@H](C)CC 4087525 OZTVRIRHBDDNAD-NOCBQHASSA-N 404.624 4.801 0 40 HJAB COc1ccc(-c2c(C)c3cc(OC(=O)c4ccco4)ccc3oc2=O)cc1OC 4340720 VGVQLPWREYIXLJ-UHFFFAOYSA-N 406.390 4.598 0 40 HJAB biogenic CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)cc2OC)n2c(nc3ccccc32)N1 4737143 XRQQGEFNIUFGOG-JOCHJYFZSA-N 421.497 4.686 0 40 HJAB CCC1=C(C[C@H]2NCCc3ccccc32)C[C@@H]2c3cc(OC)c(OC)cc3CCN2C1 4972680 HDIJLRXRAJUXQB-JWQCQUIFSA-N 418.581 4.990 0 40 HJAB in-vivo Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccs2)cc1 5065767 IKCGWVUTHIGBAR-SFTDATJTSA-N 402.454 4.691 0 40 HJAB CCOc1ccc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1OCC 5137477 ZOVHVZPXCZDXFK-UHFFFAOYSA-N 414.502 4.719 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1C 5430163 AIMQCECYNAFCOU-UHFFFAOYSA-N 400.935 4.581 0 40 HJAB Cc1ccc2nc(CSc3nnc(Nc4ccc(C)c(C)c4)s3)cc(=O)n2c1 5624008 AXCLINPJJLJNOC-UHFFFAOYSA-N 409.540 4.507 0 40 HJAB CCOc1ccccc1NC(=O)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1 6097073 KKLNUDAJTYLMJH-NRFANRHFSA-N 422.554 4.875 0 40 HJAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(CN(CC)CC)cc2)cc1Cl 6629879 AHMFQIAYYLZDRO-UHFFFAOYSA-N 419.978 4.707 0 40 HJAB COc1cc(C(=S)N2CCCCC2)cc(Cl)c1OCC(=O)Nc1ccccc1 8110839 BOQYEJOFUMVCGA-UHFFFAOYSA-N 418.946 4.528 0 40 HJAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1nc(-c2ccc3ccccc3c2)cs1 8187744 FKFPFEAHXRXDFE-UHFFFAOYSA-N 402.401 4.817 0 40 HJAB COc1ccccc1N1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 8194662 SQSORHXXNBKOAL-UHFFFAOYSA-N 419.506 4.527 0 40 HJAB O=C(Nc1cccc(CNC[C@@H]2COc3ccccc3O2)c1)c1ccccc1Cl 8328263 GUXNNTDWZSIZQO-GOSISDBHSA-N 408.885 4.522 0 40 HJAB O=C(N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3)C12CC3CC(CC(C3)C1)C2 9113560 AKQAKCPAGXUPAH-UHFFFAOYSA-N 407.554 4.828 0 40 HJAB O=C(CSc1nnc(-c2cccnc2)o1)c1ccc([C@H]2CC2(Cl)Cl)cc1 9145899 BURXVIDDCOXIOW-CQSZACIVSA-N 406.294 4.768 0 40 HJAB C[C@H]1Oc2c(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cccc2[C@H]1C 9996121 HLOMZCZFTJFIOE-JKSUJKDBSA-N 402.498 4.808 0 40 HJAB Cc1ccc(C)c(CN2C(=O)N(c3ccc(F)cc3)S(=O)(=O)c3ccccc32)c1 10273506 YVHGIKSXDUILIN-UHFFFAOYSA-N 410.470 4.778 0 40 HJAB CCCCc1ccc(-c2csc(NC(=O)Cn3cnc4sccc4c3=O)n2)cc1 11432035 DEAUFIMOELHKMT-UHFFFAOYSA-N 424.551 4.563 0 40 HJAB Cc1cc(-c2cnc(NCc3ccccc3-n3ccnc3)nc2-c2ccoc2C)on1 12088357 LZDWTMJHXMKQHO-UHFFFAOYSA-N 412.453 4.806 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3c(OC)ccc4ccccc34)C2)cc1OC 12420722 ISAVBNKXOYLGQH-HXUWFJFHSA-N 404.466 4.563 0 40 HJAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 12767885 RWHWRNLLSQMKOZ-PXUDHTSWSA-N 403.309 4.884 0 40 HJAB Cc1nc2sc3c(c2c(-c2ccccc2)c1C(=O)N1CCOCC1)CC[C@H](C)C3 12772156 DTGLSSXCAFXZKK-HNNXBMFYSA-N 406.551 4.869 0 40 HJAB COc1cccc(CCC(=O)NCCC(c2ccccc2)c2ccccc2)c1OC 12776145 LJTNZUFIZGBZFU-UHFFFAOYSA-N 403.522 4.975 0 40 HJAB O=C(Nc1ccccc1I)c1csc(-c2cccs2)n1 12918853 RTWOVSPLNILMDF-UHFFFAOYSA-N 412.277 4.729 0 40 HJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NC[C@@H](c1ccccc1)N1CCCC1 13002369 LLQRCGQYXJGIGN-NRFANRHFSA-N 423.944 4.881 0 40 HJAB CCc1ccc(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C)cc1 13635602 DNGRMZVDUOAWOG-UHFFFAOYSA-N 405.889 4.876 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 13681912 AAYAZZVKLXMPBQ-UHFFFAOYSA-N 406.916 4.763 0 40 HJAB COc1ccc(-c2noc(CCC(=O)Nc3nc(-c4cccs4)cs3)n2)cc1 14772661 KUFVOTKNZCRCSV-UHFFFAOYSA-N 412.496 4.502 0 40 HJAB COc1ccc(C(=O)N2CCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)c(OC)c1OC 15084162 XJLXITFUCTXJBU-FQEVSTJZSA-N 420.509 4.509 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)CS(=O)(=O)c4ccccc4)cc3)sc2c1 16047991 YWMAETQUHTXGIP-UHFFFAOYSA-N 422.531 4.684 0 40 HJAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 17526234 VBEKEYZDGUDUHY-UHFFFAOYSA-N 405.527 4.934 0 40 HJAB O=C(c1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 19293300 FSIZILJDAORHCQ-GOSISDBHSA-N 400.404 4.858 0 40 HJAB CCn1cc([C@@H](NC(=O)c2ccccc2OC)c2ccc(F)cc2)c2ccncc21 19524841 FZDMKEAUOSLPTN-QHCPKHFHSA-N 403.457 4.723 0 40 HJAB Nc1nc(-c2ccccc2)nc2nc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)ccc12 19743388 IJPUCQDOHPUHPV-LJQANCHMSA-N 415.541 4.560 0 40 HJAB COc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4cccc(C)c4)nc3C2)c(OC)c1 20101644 ICENOVZLPDCXPD-INIZCTEOSA-N 403.482 4.767 0 40 HJAB CCCOc1cccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)c1 20152687 POCZIWFRAJBJSS-UHFFFAOYSA-N 424.522 4.663 0 40 HJAB CCOc1cc(-c2cc(C(=O)O)c3c(-c4ccc(CC)cc4)[nH]nc3n2)ccc1O 20492383 ZASQVWRBMRKWHY-UHFFFAOYSA-N 403.438 4.657 0 40 HJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cc1noc2ccccc12 24345027 IXYXNYAOLCFFKA-UHFFFAOYSA-N 422.488 4.882 0 40 HJAB COc1ccccc1O[C@@H](C)C(=O)N(Cc1ccc(F)cc1Cl)c1ccccn1 28293605 CBBNTDQMDOYFQK-HNNXBMFYSA-N 414.864 4.883 0 40 HJAB Cc1cccc(CSc2nnc(Nc3c(C)cccc3C)c(=O)n2-n2cccc2)c1 28535093 WMNQOQUPEYNWQB-UHFFFAOYSA-N 417.538 4.712 0 40 HJAB Cc1cc(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c(C)n1C[C@@H]1CCCO1 29299952 KQGOXAYUNARVMV-HNNXBMFYSA-N 405.420 4.535 0 40 HJAB Cc1cnc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)s1 29775667 ZVZMUANYPWKRBP-UHFFFAOYSA-N 409.555 4.536 0 40 HJAB Cc1noc2ncc(C(=O)Nc3cc(C(F)(F)F)ccc3OCC(F)(F)F)cc12 30874076 JRPWSCLVXFNLQF-UHFFFAOYSA-N 419.281 4.743 0 40 HJAB CC1=C[C@@H](CN2CCC(O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1 30883099 YIBSDJRDIBRCNU-FIXSFTCYSA-N 423.601 4.899 0 40 HJAB biogenic,in-vitro Cc1cc(C)cc(OCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1 31903678 TWIPBIGYRNWTLS-IBGZPJMESA-N 405.542 4.847 0 40 HJAB CC(C)Oc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 32288138 RPBHYKFCKQJIJO-UHFFFAOYSA-N 416.524 4.588 0 40 HJAB CN(c1ccc(OC(=O)c2c(F)cccc2Cl)cc1)S(=O)(=O)c1ccccc1 32991097 KAOIGNLSZJOURZ-UHFFFAOYSA-N 419.861 4.523 0 40 HJAB CCOc1ccc([C@H]2CC(=O)Nc3sc(C(=O)OCc4ccccc4)c(N)c32)cc1 40486369 ZFRYOSPIYCGGLZ-QGZVFWFLSA-N 422.506 4.560 0 40 HJAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)cc1OC 67296477 MTKPCWAGOFODQF-LCUIJRPUSA-N 415.449 4.638 0 40 HJAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccc(Cl)cc1 69175148 ABTRSNGWZCEERT-HNAYVOBHSA-N 412.942 4.620 0 40 HJAB COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)c(C)c1C 72330595 JJKKJDIFSMJYBC-RDGATRHJSA-N 421.585 4.577 0 40 HJAB COc1ccc(CN2CCC[C@H]([C@H](NC(=O)c3ccccc3)c3nccs3)C2)cc1 72341444 KQBLGLBANFPENM-UNMCSNQZSA-N 421.566 4.535 0 40 HJAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@H]2C[C@H]2C)CC1 72345069 NGGBQUSDDVGCIX-NQIIRXRSSA-N 424.610 4.747 0 40 HJAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C 84129120 DFITZZQYGYPESO-QGZVFWFLSA-N 403.910 4.778 0 40 HJAB Cc1ncc(CN2CCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc34)OCO5)oc12 85876333 ZYWLBAQJFZNNHV-UHFFFAOYSA-N 418.449 4.624 0 40 HJAB biogenic O=C(C1CCN(CCSc2cc(Cl)ccc2Cl)CC1)N1CCCCC1 95423232 OSLQWVNQUJPHBC-UHFFFAOYSA-N 401.403 4.810 0 40 HJAB COCCn1ccc2cc(C(=O)N[C@H]3CCCc4c3[nH]c3ccc(OC)cc43)ccc21 96232005 VOIXYYDORSHYEQ-QFIPXVFZSA-N 417.509 4.585 0 40 HJAB CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220570202 LOGKPGSOLPILNM-NRFANRHFSA-N 402.560 4.610 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 223404445 CFLGGOSDTSCNRO-FQEVSTJZSA-N 418.940 4.744 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 224669048 KKYPXSXXOWEMKR-JOCHJYFZSA-N 414.977 4.852 0 40 HJAB COc1cc2c(cc1S(=O)(=O)NCCCc1ccc(C(C)C)cc1)CCCC2 224814296 DTEOUPVJLFWAOK-UHFFFAOYSA-N 401.572 4.609 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1CN1CCCCC1 224836928 FPKUJEPGQBJETA-NRFANRHFSA-N 400.950 4.800 0 40 HJAB CCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225290564 AADOOTKXVRHBGZ-XMMPIXPASA-N 406.570 4.794 0 40 HJAB Cc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1N1CCCC1=O 225307971 WKCVSCBTNYJUAK-UHFFFAOYSA-N 408.354 4.915 0 40 HJAB Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC2CCCC2)cc1 225375124 YTUJCKPJGJRXDK-GOTSBHOMSA-N 418.566 4.919 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 225525072 CMXSDGNYKHBSMZ-GGAORHGYSA-N 424.585 4.713 0 40 HJAB CC[C@H](NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1)c1ccc(OC)c(OC)c1 225719907 RADGAIPDPKTADM-INIZCTEOSA-N 422.934 4.582 0 40 HJAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@H]3c2cccnc2)cc1 239611928 FFLALKUTFDIZSL-DHLKQENFSA-N 415.493 5.121 0 40 HJAB CCC(CC)C(=O)N1CCC(Cc2ccccc2-c2ccccc2C)(C(=O)NC)CC1 257252853 JWIRDKOGDFFOQR-UHFFFAOYSA-N 420.597 4.996 0 40 HJAB CC(C)c1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)on1 257278938 OEHXOOQHPPVWNL-HDJSIYSDSA-N 400.504 4.613 0 40 HJAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 408644308 SLHQFJFTLHMFOO-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB CCc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N(CC(=O)OC)C2=S)cc1 409058603 TYDIVIBQWUVOIN-STZFKDTASA-N 422.550 4.520 0 40 HJAB COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)ccc1OCc1cccc(F)c1 409060130 TWBCVCDBZMOPFK-ODLFYWEKSA-N 401.459 4.858 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3Cl)o2)cc1 409329706 HPORGFOSTAPUIQ-UHFFFAOYSA-N 403.891 4.595 0 40 HJAB O=C1CCC[C@H](c2cccc(NC(=O)c3cnc(-c4c(F)cccc4F)s3)c2)N1 1133634475 KBHKCYNPPWMTNZ-MRXNPFEDSA-N 413.449 4.682 0 40 HJAB Cn1cnc2cc(NC(=O)CC3(CN4Cc5ccccc5C4=O)CCCCC3)ccc21 1548349737 WSKOXWSPAUJLTQ-UHFFFAOYSA-N 416.525 4.508 0 40 HJAB CC[C@H](C)COC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 2343450 SLPFSTHGGOCKAR-AWEZNQCLSA-N 406.461 4.557 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2c(-c3nc(C)cs3)cnn2-c2ccccc2)cc1 2659337 BAMVCQPQKQNPDN-JLHYYAGUSA-N 416.506 4.965 0 40 HJAB COc1ccccc1NC(=O)C(=Cc1ccccc1F)C(=O)Nc1ccccc1OC 3245111 AHJBCLBMFQQYDH-UHFFFAOYSA-N 420.440 4.504 0 40 HJAB CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)cc1 3332622 YEBIGPRMOLUTMI-UHFFFAOYSA-N 424.501 4.743 0 40 HJAB C[C@H](NC(=O)NCCCCCCNC(=O)N[C@@H](C)c1ccccc1)c1ccccc1 4358668 OTHUDWXXFBTNND-PMACEKPBSA-N 410.562 4.668 0 40 HJAB biogenic CC(C)Oc1ccc(C(=O)NC(=S)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 4657384 ZWYKGSIILJVXDE-LRYXAPPNSA-N 400.588 4.683 0 40 HJAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ncc(Cl)c(Cl)c1Cl 4766897 SUDFQLSLJUGRCZ-UHFFFAOYSA-N 402.705 4.984 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2C(=O)C(C)C)cc1 4816868 KDKUVYKUYLWYEQ-VQTJNVASSA-N 410.905 4.664 0 40 HJAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 5262944 QYIQWKPSBQYTAR-LBPRGKRZSA-N 405.882 4.793 0 40 HJAB CCCOc1ccc(CN2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1OCC 5978835 FFUZXRZJKWFDLS-UHFFFAOYSA-N 415.489 4.922 0 40 HJAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(-c2ccccc2)cc1 5993007 ARCIJLIIILLGRL-UHFFFAOYSA-N 408.383 4.909 0 40 HJAB CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 7055925 QINWRODQIGYMSJ-UHFFFAOYSA-N 408.504 4.967 0 40 HJAB CCOC(=O)Cc1csc(Sc2ncnc3sc4c(c23)CC[C@H](C)C4)n1 7466943 ZMWAJRANFRPVQY-JTQLQIEISA-N 405.570 4.529 0 40 HJAB O=C(Nc1ccc(Br)cc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7882482 SFXGYWIZJSXVBN-HNNXBMFYSA-N 409.283 4.594 0 40 HJAB O=C(c1cncn1-c1ccc(F)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8279530 GVUZLWSJICXMKA-OAHLLOKOSA-N 406.486 4.641 0 40 HJAB COc1ccc(NC(=O)c2ccc(CN(C)Cc3ccc(OC)c(OC)c3)cc2)cc1 8316524 SCKJXBJENDOZST-UHFFFAOYSA-N 420.509 4.597 0 40 HJAB Cc1ccc(NC(=O)Nc2nc(C)c(C(=O)NCc3ccc(Cl)cc3)s2)cc1 8771417 SOTPZSHCDWMKOE-UHFFFAOYSA-N 414.918 4.987 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(F)c1)N(c1nccs1)C3=O 9328329 NWSQSGFEOUKUCD-SFHVURJKSA-N 406.438 4.755 0 40 HJAB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)c1 12173118 KEDMDHIHYYCYHO-UHFFFAOYSA-N 421.478 4.638 0 40 HJAB Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 12293601 IVUFUDXYAVTLJF-LOSJGSFVSA-N 417.549 4.841 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 12361373 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409.441 4.844 0 40 HJAB O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 409181072 VNQYIQGSEDTYRJ-UHFFFAOYSA-N 414.914 4.712 0 40 HJAB CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 409408387 CFZLHWSBCGHCJF-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB CCc1ccc(C[C@@]2(C)Cc3cc(C(=O)N(CCC(C)C)CC(=O)O)ccc3O2)cc1 585267515 OYUTVDOJGSDDQH-SANMLTNESA-N 423.553 4.758 0 40 HJAB Fc1ccccc1CN1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 585290694 UCOWINQHNMHIGB-OAHLLOKOSA-N 406.383 4.669 0 40 HJAB COc1ccc(C(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1OC 824600120 BQXXDRQOXDKEEB-UHFFFAOYSA-N 423.856 4.759 0 40 HJAB Cc1c(Cl)cccc1-n1c(SC[C@H]2CCCOC2)nc2c(c1=O)CCCC2 1888959382 FTXWKQDXEUPNLO-HNNXBMFYSA-N 404.963 4.592 0 40 HJAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC4CCCCC4)cc3n2)cc1 848703 XRDKZJNDUWHGLJ-UHFFFAOYSA-N 402.420 4.786 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)c3c(C)c(C)cc(C)c3C)o2)cc1OC 882426 TWIFEHICVVGSNC-UHFFFAOYSA-N 412.511 4.962 0 40 HJAB COc1ccc(NC(=O)CSc2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)cc1 1326113 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Cc1ccc(C(=O)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 5516302 QJGZFYRTUCXYGN-UHFFFAOYSA-N 401.871 4.668 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(C)cc2C)NC(=O)N1 6046507 GDNPBIHWFVLXNL-SFHVURJKSA-N 403.404 4.589 0 40 HJAB Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1CCc1ccc(F)cc1 6083381 BVQXRNCJJIFCNH-UHFFFAOYSA-N 409.486 4.675 0 40 HJAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(F)cc1 6356075 ROYWAWZOSJNSID-JHAVZTMOSA-N 402.267 4.694 0 40 HJAB CCC[C@@H](C)NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 6541561 XMLRKNAJWPBHLW-CQSZACIVSA-N 402.420 4.872 0 40 HJAB COc1ccccc1NC(=O)[C@@]1(c2cccs2)CC(=O)N1c1ccc(Cl)cc1 6669842 XBUUYYHHJMAWIZ-NRFANRHFSA-N 412.898 4.681 0 40 HJAB CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(C)s1 6728006 DVTQQJZQDFEKQV-LJQANCHMSA-N 412.540 4.855 0 40 HJAB CCCn1nc(C(=O)OCCCOc2ccc(C(C)(C)C)cc2)c2ccccc2c1=O 6936898 NOZVVTZMZVMMEF-UHFFFAOYSA-N 422.525 4.730 0 40 HJAB CCCCOC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C1CCCCC1 7784296 KRRLAMVFXKXXIE-UHFFFAOYSA-N 403.548 4.894 0 40 HJAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccccc2Cl)o1 7963165 IGERWLSUAYXQJV-UHFFFAOYSA-N 403.265 4.964 0 40 HJAB COc1cc(CN(C)C(=O)c2cccc(N(C)C)c2)ccc1OCc1ccccc1 8404202 DZBWNCYMDMCZGR-UHFFFAOYSA-N 404.510 4.612 0 40 HJAB O=C(COc1cccc(Br)c1)Nc1ccc(Br)cc1Cl 8735867 XEFAMNNFZSHDEW-UHFFFAOYSA-N 419.500 4.883 0 40 HJAB COc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)c1 9135321 UTEAZJQTRVISEO-UHFFFAOYSA-N 424.840 4.724 0 40 HJAB O=C(Nc1c(C(=O)c2ccc3c(c2)OCO3)oc2ccccc12)c1ccc(F)cc1 9328368 UUQDTVIJXUPWJU-UHFFFAOYSA-N 403.365 4.784 0 40 HJAB O=C(NCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc2c(c1)OCCO2 11690435 JVVMKNSRMIUQIS-UHFFFAOYSA-N 404.249 4.955 0 40 HJAB Cc1cc(OS(=O)(=O)c2ccc(F)c(C)c2)n(-c2cc(Cl)ccc2Cl)n1 11691540 JRDIXYKGVSVWTD-UHFFFAOYSA-N 415.273 4.703 0 40 HJAB COc1ccc(OC)c(CCC(=O)Nc2c(-c3ccccc3)nc3ccccn23)c1 12535343 HZZDANSHOSNKTE-UHFFFAOYSA-N 401.466 4.590 0 40 HJAB CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716538 LUUYDDRUAAWMKY-NRFANRHFSA-N 402.560 4.610 0 40 HJAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2Sc2ccccc2)n1 15879799 LETRACCYBNMBOS-UHFFFAOYSA-N 411.552 4.604 0 40 HJAB Cc1ccc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)c(C)c1 15882851 HONGYGRXXJEIGU-UHFFFAOYSA-N 400.400 4.785 0 40 HJAB Cc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCN2CCOCC2)cc1 16739426 XIIWAEDVLLVDQE-GYHWCHFESA-N 413.974 4.743 0 40 HJAB COc1ccc(C)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccncc1 19133575 DUJVKJIZLOUFLE-VWLOTQADSA-N 404.510 4.564 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2sc(C)nc2C)n1 19525559 XCWIAZRKUXANTR-LJQANCHMSA-N 421.570 4.932 0 40 HJAB O=C(c1cccc(OCc2ccccc2)c1)N1CCC([C@H](O)c2ccccc2)CC1 23383316 OEANYLUBYBYJIN-RUZDIDTESA-N 401.506 4.851 0 40 HJAB Cc1ccc2nc(NC(=O)c3ccc(COc4ccc5c(c4)OCO5)o3)sc2c1 28223653 IFTVITYEGRWVPC-UHFFFAOYSA-N 408.435 4.758 0 40 HJAB O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 30580959 SFOLJXJTKIRORZ-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB Clc1ccc(Cl)c(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1 32603904 RYDGADREPLFTES-UHFFFAOYSA-N 417.300 4.502 0 40 HJAB CC[C@@H](C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)c1ccccc1 32796117 KBWQIFAGBKKEIJ-HXUWFJFHSA-N 402.450 4.800 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2ccccc21 33048867 ILCJLINQLGLLEW-UHFFFAOYSA-N 403.869 4.664 0 40 HJAB COc1ccccc1-c1nc(-c2ccccc2OCC(=O)Nc2cccc(C)c2)no1 33324995 DXBAVPDSUWKWTC-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB CC(C)N(C(=S)Oc1ccc(C(=O)Nc2ccc3nccnc3c2)cc1)C(C)C 33775248 HCOPGGGXAHHLPH-UHFFFAOYSA-N 408.527 4.665 0 40 HJAB C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 36389521 ZRBAGJVDJFTENS-VGSWGCGISA-N 402.494 4.775 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccccc3C)CC1)CC(C)(C)O2 44855518 GXMGFBPQCLLQNL-QHCPKHFHSA-N 422.569 4.634 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875310 BPQAWRXIPQYKQY-QFIPXVFZSA-N 400.950 4.800 0 40 HJAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(F)cc1 44934184 ZOMKIIUOQZMJJK-OAHLLOKOSA-N 419.338 4.678 0 40 HJAB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)nn12 57316948 BOZKQGJZUZOFHC-UHFFFAOYSA-N 418.309 4.974 0 40 HJAB CCCCOc1cccc(C(=O)Nc2cccc(-c3nn4c(CC)nnc4s3)c2)c1 57316976 QCFQKDOTDGKSON-UHFFFAOYSA-N 421.526 4.846 0 40 HJAB CC(=O)c1cc(CCC(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)oc1C 58156036 SNWGNJVGZWYHGP-QZTJIDSGSA-N 410.558 4.518 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2cccc(C)c2C)n1C 59176265 UQTDNLFAZZYKPY-UHFFFAOYSA-N 424.570 4.613 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(Cl)cc3)oc12 67190105 PACFZFNGRDWHKW-LVWGJNHUSA-N 405.841 4.975 0 40 HJAB CCC[C@@H](CC(=O)O)c1c(OC)c(CC=C(C)C)c(O)c2c1O[C@@H](C)[C@@H](C)C2=O 72320171 UDVTWMLZUGXNQM-ILXRZTDVSA-N 404.503 4.868 0 40 HJAB biogenic,in-vitro COc1ccc(CC(=O)N2CCC(c3cccc(Cc4ccccc4F)n3)CC2)cc1 72349572 VDJIIKNNXHCPME-UHFFFAOYSA-N 418.512 4.769 0 40 HJAB CN(C)c1cccc(C(=O)N2CCC[C@@H]2c2ccnc(-c3cccc(Cl)c3)n2)c1 72355839 UPSKKCWBZQVSDZ-OAQYLSRUSA-N 406.917 4.840 0 40 HJAB O=C(CCc1cccc(Cl)c1)N1CCC[C@H]1c1cccc(Nc2nncs2)n1 72375636 BQKIKBIXUATQGL-KRWDZBQOSA-N 413.934 4.626 0 40 HJAB Cc1ccccc1C1(O)CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 84235213 XEWSERSCEIGASF-UHFFFAOYSA-N 412.942 4.896 0 40 HJAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccc(OCCc2ccccc2)cc1 95480327 IWHAAMKBNPGHLO-NRFANRHFSA-N 423.538 4.803 0 40 HJAB O=c1[nH]c2cc3c(cc2c(-c2ccccc2F)c1COCc1ccccc1)OCCO3 98086844 YKFOFKILRSRSPO-UHFFFAOYSA-N 417.436 4.822 0 40 HJAB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@H]3C2=O)cc1 101201685 IDGCKJXQNAKQSW-SGNDLWITSA-N 412.489 4.609 0 40 HJAB O=C(CCc1ccc(Cl)c(Cl)c1)NC[C@@H]1CCCN1c1nc2ccccc2o1 206772716 NMIHXPSAJAPSFZ-HNNXBMFYSA-N 418.324 4.852 0 40 HJAB CC1CCN(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)CC1 216412850 IKCJLYKHJSKQOO-UHFFFAOYSA-N 412.599 4.710 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 222374429 BSYFURNMUXGBOZ-UVBSCNOISA-N 416.403 4.728 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 223447534 AAOSEMZBBRLVJD-HXUWFJFHSA-N 418.940 4.744 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223749336 LBBKJATYNILBMS-FQEVSTJZSA-N 406.570 4.658 0 40 HJAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 223866638 CIRAOLPLHZKJOG-PKTZIBPZSA-N 412.518 4.755 0 40 HJAB COCc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 224253571 YHMKTIMTXQGZPH-UHFFFAOYSA-N 406.320 4.911 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 225175006 SCAHDTREAAQSMR-QZTJIDSGSA-N 400.950 4.605 0 40 HJAB Cc1ccc(C)c([C@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)c1 225870702 ZMJZYZKQLCBIGH-MIDMBNTASA-N 402.494 4.853 0 40 HJAB Cc1ccc(Oc2ccccc2C(=O)N(CC(=O)O)Cc2cccc(F)c2F)cc1 257320478 VWZVYLYGNOCXTQ-UHFFFAOYSA-N 411.404 4.793 0 40 HJAB O=C(CCc1ccccc1)N1CCC[C@@]2(CC1)CN(c1cccc(Cl)c1)C(=O)O2 257330545 XOVIXYAPWWUMJA-HSZRJFAPSA-N 412.917 4.681 0 40 HJAB Cc1sc(NC(=O)[C@H]2CCCN2C(=O)Oc2ccccc2)nc1-c1ccccc1 408738893 WUIZHZXYIRKEAI-GOSISDBHSA-N 407.495 4.720 0 40 HJAB O=C1N/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1Cc1ccc(F)cc1 409009757 HYRODFSBPSQOGU-LPYMAVHISA-N 420.415 4.637 0 40 HJAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4)C3)C2)c1 1543873333 ZCLKWMGTEYJUOY-ZFGGDYGUSA-N 422.544 4.747 0 40 HJAB O=C(Nc1ccccc1COC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)C1CC1 1585126230 CVNQBIXNHRSQMU-ZWKOTPCHSA-N 414.299 4.645 0 40 HJAB O=C(c1c(Cl)cccc1Cl)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912739 XQIIDKMYYXCGIE-HXUWFJFHSA-N 412.288 4.569 0 40 HJAB COc1cc(/C=C2/N=C(c3ccccc3Br)OC2=O)ccc1OC(C)C 662739 KRZAEIRROQQKDZ-MHWRWJLKSA-N 416.271 4.589 0 40 HJAB Cn1ccnc1SCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 1016902 KHHOVNXCJBLTMO-LJQANCHMSA-N 410.930 4.544 0 40 HJAB CCCc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)c2c(C)c(C)sc2n1 1372188 RJMAXJOEBMAWSV-UHFFFAOYSA-N 415.540 4.720 0 40 HJAB CCOc1ccc(CN2CCN(c3ncnc4sc5c(c34)C[C@H](C)CC5)CC2)cc1 1472992 XRYZMMZKYNLGTF-QGZVFWFLSA-N 422.598 4.537 0 40 HJAB COc1ccccc1C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C(C)C)cc1)CC2=O 2211312 HFWKMNCOIAUKLW-SFHVURJKSA-N 415.493 4.774 0 40 HJAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 2795762 VDWZUUOYTFQLFV-LBPRGKRZSA-N 420.962 4.731 0 40 HJAB CC(C)CCN1C(=O)[C@](O)(CC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 3231077 UEKQNUBUNZLSMV-NRFANRHFSA-N 405.416 4.559 0 40 HJAB CSCC[C@@H](NCC(=O)Nc1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1 3412944 CXOPCKHXCXIOAS-MRXNPFEDSA-N 423.369 4.892 0 40 HJAB CCOC(=O)CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 3658658 AUWOZQWNQACQBT-UHFFFAOYSA-N 407.470 4.882 0 40 HJAB CCCCSc1nnc(CNC(=O)c2ccccc2F)n1-c1cccc(Cl)c1 4059323 CQISRAMCSUOISF-UHFFFAOYSA-N 418.925 4.882 0 40 HJAB O=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccc(Br)cc1 4375417 IZXLZLSBNBMPAS-UHFFFAOYSA-N 405.292 4.684 0 40 HJAB CCC(=O)OC[C@]12CO[C@H](c3ccccc3OC(=O)CC)[C@H](C(C)=C[C@@H]1C)[C@@H]2C 4904078 SILOCWNFXQCZOK-OFHCLZCOSA-N 400.515 4.861 0 40 HJAB O=C(Cc1ccc(Br)cc1)Nc1ccc(-c2cn3c(n2)SCC3)cc1 5083899 OZGHAAYVAGSPRQ-UHFFFAOYSA-N 414.328 4.600 0 40 HJAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2C)cc1 5219360 MKTCJRDZURCFKV-RZFJZAQRSA-N 422.569 4.619 0 40 HJAB CC[C@@H]1CCCCN1C(=O)Cn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O 5263657 GHESZZCJRMSIPI-GOSISDBHSA-N 409.555 4.533 0 40 HJAB CCOc1ccc(N2C[C@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)cc1 7929195 PIEXPXOGJWALEM-OAQYLSRUSA-N 415.489 4.635 0 40 HJAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCc2cccs2)cc1 8278362 VTMTXANHRVBYKU-UHFFFAOYSA-N 417.534 4.641 0 40 HJAB Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)c1ccc(F)cc1F 9403974 KTYAJRCREQORBU-UHFFFAOYSA-N 417.462 4.746 0 40 HJAB COc1cc2ccccc2cc1C(=O)N(CCN(C)C)c1nc2c(F)cccc2s1 9603987 ZNWOGRULIQISOL-UHFFFAOYSA-N 423.513 4.806 0 40 HJAB O=C(Nc1ccc(-c2nccs2)cc1)C1CCN(c2nc3ccccc3o2)CC1 9734888 KZXIABKVTFJVBU-UHFFFAOYSA-N 404.495 4.806 0 40 HJAB COc1ccc(-c2nc(CSc3nnc(NC(C)C)s3)cs2)cc1OC 9921284 LGABWQGOFJTLKR-UHFFFAOYSA-N 408.574 4.791 0 40 HJAB COc1ccccc1-c1nc2c3ccccc3nc(SCCN3CCCCC3)n2n1 10157704 YXQWGZMCPYJEJU-UHFFFAOYSA-N 419.554 4.531 0 40 HJAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 10253541 XETIQJXATYUTRJ-UHFFFAOYSA-N 420.943 4.898 0 40 HJAB Cc1nc(CSc2ccc(C(=O)OCC(=O)NC3CCCCCC3)cc2)cs1 11535483 QWMVEAABEHQSHK-UHFFFAOYSA-N 418.584 4.740 0 40 HJAB COc1cccc(F)c1-c1nc(C)c(C(=O)NCCc2c[nH]c3ccccc23)s1 12389675 YCCXGFXHFARINJ-UHFFFAOYSA-N 409.486 4.720 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)c2ccccc12 12994813 XMIRTVGWUYCFAT-MRXNPFEDSA-N 422.912 4.993 0 40 HJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 13847408 GYVRFDHHGIRQOL-HXUWFJFHSA-N 410.514 4.554 0 40 HJAB CCc1nnc2sc(-c3ccc(CNC(=O)c4ccc(C(C)(C)C)cc4)cc3)nn12 13954854 PBXSYPTZWDOWCJ-UHFFFAOYSA-N 419.554 4.643 0 40 HJAB CC(C)[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2ccccc2[nH]1 14776471 DUIHDYYTTVRZFW-QFIPXVFZSA-N 424.451 4.942 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)/C=C/c1cccc2cccnc12 14812741 XLORHPHDWDLNDJ-FEAKQIBJSA-N 424.884 4.789 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2C)c1 17090709 FVKFGJUGYPYFDC-UHFFFAOYSA-N 416.506 4.942 0 40 HJAB O=C(Cc1csc(-c2cccs2)n1)OCc1cc(Cl)c2c(c1)OCCO2 17369357 BBFAGNXYPBDLGR-UHFFFAOYSA-N 407.900 4.582 0 40 HJAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2nc3ccccc3n2Cc2ccccc2)on1 19120600 BJKAYJBFAVQRLI-RBBKRZOGSA-N 400.526 4.882 0 40 HJAB Cc1cc(-c2cnc(C3CCN(C(=O)Cc4ccccc4F)CC3)nc2C(C)C)on1 19121645 WTWQBEXORQVUOQ-UHFFFAOYSA-N 422.504 4.651 0 40 HJAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CC=CCC2)C1 19579775 AXQXHRWIKKCLFU-SQJMNOBHSA-N 422.594 4.621 0 40 HJAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19580654 DFJFISCOISLPJL-CQSZACIVSA-N 420.435 4.525 0 40 HJAB CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCCC2)CC1 19700234 DYDJBXCMGBSIMH-UHFFFAOYSA-N 418.581 4.783 0 40 HJAB CC[C@H](C(=O)Nc1ccc(F)cc1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 20095429 ZIOWGBHCSPMKNF-OAQYLSRUSA-N 405.473 4.518 0 40 HJAB Cc1ccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)N(CC(C)C)c3ccccc32)c(C)c1 20733628 KVGXOKPZQGUEHX-VWLOTQADSA-N 414.509 4.770 0 40 HJAB Cn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nc2ccccc2c1=O 21163971 ARBOGCUJASGADP-FQEVSTJZSA-N 419.481 4.545 0 40 HJAB c1ccc(COc2ccc3c(c2)Sc2ccccc2C(N2CCNCC2)=N3)cc1 22051195 XFJQVRTWUFPAFS-UHFFFAOYSA-N 401.535 4.714 0 40 HJAB in-vitro O=C1CCc2cc(C(=O)COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2N1 24090762 PESVTZDVXQMBAM-UHFFFAOYSA-N 417.305 4.871 0 40 HJAB C[C@H](Sc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3)c1nc(-c2ccco2)no1 29738773 RNZJMOQIESFELM-ZJUUUORDSA-N 413.528 4.895 0 40 HJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 32909022 WHTSXNVQOLRNPH-QHCPKHFHSA-N 416.477 4.635 0 40 HJAB CC(=O)Nc1sc(NC(=O)COc2cc(C)cc(C)c2)nc1-c1ccc(C)cc1 35671530 ZRTJRTKXRJCXAP-UHFFFAOYSA-N 409.511 4.711 0 40 HJAB Cc1c(C(=O)Nc2ccccc2C(=O)NC2CCCC2)oc2c1C(=O)CC(C)(C)C2 40141094 SYJLQOYZSBERAF-UHFFFAOYSA-N 408.498 4.668 0 40 HJAB CC1(C)C[C@H](NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc2O1 44918107 DVBXOJVCDQKCPK-NQIIRXRSSA-N 412.961 4.971 0 40 HJAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)NCCC1=CCCCC1 57487305 CLGNVIAKPUDASM-UHFFFAOYSA-N 410.905 4.865 0 40 HJAB O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1cc(F)ccc1Cl 67298139 LPYWJCSCXSKVSG-NKFKGCMQSA-N 415.833 4.872 0 40 HJAB COc1ccc(C2(O)C[C@@H]3CC[C@H](C2)N3Cc2c(C(C)C)[nH]c3ncccc23)cc1 72393720 JORVYSRPPYSVKV-OOEJVQDLSA-N 405.542 4.710 0 40 HJAB O=S(=O)(/C=C/c1ccccc1)N1CCC(COCc2ccc(Cl)cc2)CC1 77191634 RPAGSWNHQMQQJD-NTCAYCPXSA-N 405.947 4.569 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1nc(-c2ccccc2Cl)co1 95410230 JZFZDDSJLRBWCD-UHFFFAOYSA-N 420.856 4.619 0 40 HJAB C[C@@H](c1cccnc1)N(CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C1CC1 95446752 VCMTWPFZVRWBHK-JXFKEZNVSA-N 420.538 4.639 0 40 HJAB O=C(CCCOc1ccc(Cl)cc1)NCc1nc(-c2ccc(Cl)cc2)no1 95482284 RMMTYUMOEWAHOI-UHFFFAOYSA-N 406.269 4.519 0 40 HJAB Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3)cc(C(=O)O)c2c1 100396092 RGULEELSAFQNCT-HDICACEKSA-N 414.461 4.588 0 40 HJAB COC(=O)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 102879760 URZRQAHIZFJKJE-LJQANCHMSA-N 415.449 4.579 0 40 HJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OP(=O)(N5CC5)N5CC5)CC[C@@]43C)[C@@H]1CCC2=O 118918364 XSVDHLSLBYJBSG-FJEIJJERSA-N 418.518 4.643 0 40 HJAB CCc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1 224058149 QRZDSDQDCKQVBG-UHFFFAOYSA-N 424.522 4.619 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C 224067215 XSVNWXJCBSWSQZ-XMMPIXPASA-N 408.586 4.612 0 40 HJAB O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCN(Cc2ccccc2F)CC1 224551721 IMZAYEDXRSCGSQ-UHFFFAOYSA-N 403.501 4.662 0 40 HJAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 224554488 BIPIOAIXNWLRHG-ROUUACIJSA-N 401.944 4.982 0 40 HJAB CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccccc3Cl)c2)cs1 226092217 ANIWCCOSBYGRAR-UHFFFAOYSA-N 403.891 4.531 0 40 HJAB O=C(O)c1ccc(/N=C2/S[C@@H](Cc3ccccc3)C(=O)N2[C@@H]2C[C@H]3CC[C@H]2C3)cc1 245227533 IQRZUYROAKIOPI-XIVDDPOVSA-N 420.534 4.748 0 40 HJAB O=C(CCc1ccccc1F)NCc1cccc(-c2n[nH]cc2-c2ccncc2)c1 257223968 DZSIEJLGEDZMRH-UHFFFAOYSA-N 400.457 4.527 0 40 HJAB Cc1nc(C)c(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)s1 257332587 XXYDTGZPGLSSPE-IBGZPJMESA-N 413.518 4.774 0 40 HJAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1 408545901 BFMKCUIRRVIMHQ-UHFFFAOYSA-N 424.566 4.850 0 40 HJAB CCN1CCN(C(=S)c2cccc(OCc3ccc(Cl)cc3Cl)c2)CC1 408574640 MDJQFSYPOZKIBH-UHFFFAOYSA-N 409.382 4.885 0 40 HJAB CCCCOC(=O)CN1C(=O)S/C(=C/c2c(OCC)ccc3ccccc23)C1=O 409201510 LUDMXARBBASJAK-CPNJWEJPSA-N 413.495 4.618 0 40 HJAB COc1cc(OC)c(NC(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)cc1Cl 536306365 OERZPDIDTZMCMB-UHFFFAOYSA-N 400.866 4.765 0 40 HJAB COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@H](C(=O)OC)[C@@H]1c1ccc(C)cc1 626795 UHKVQSSIPLSBFK-VXKWHMMOSA-N 405.494 4.675 0 40 HJAB CCOc1nc2sc3c(c2c2nnc(SC/C=C(\C)Cl)n12)CC(C)(C)OC3 1260390 ZTMLTVHKXKBIPW-UXBLZVDNSA-N 424.979 4.824 0 40 HJAB COc1cccc(C(=O)N(Cc2cccs2)Cc2cc3ccc(C)cc3[nH]c2=O)c1 1358582 MGUIHNFVRRYAMC-UHFFFAOYSA-N 418.518 4.749 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1C 2450402 FPFDGTFXTBCOMU-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB Cc1cc(C)nc(Nn2c(SCc3cccc(Cl)c3)nc3ccccc3c2=O)n1 2971848 WBKHFQKOLNHGCH-UHFFFAOYSA-N 423.929 4.624 0 40 HJAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)Nc1ncc(Cl)cc1Cl 3263237 JWKWXEUGPYRVOM-UHFFFAOYSA-N 420.281 4.651 0 40 HJAB O=C(CSc1nnc(-c2ccccc2Br)o1)c1cc(F)ccc1F 3332755 KEBHUGLSNUJZBG-UHFFFAOYSA-N 411.227 4.752 0 40 HJAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 3636568 NUQVMKHNYPFRHH-KXBFYZLASA-N 414.571 4.832 0 40 HJAB Cc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3cc4ccccc4nc3Cl)C2)cc1 4171955 GLZGQAMTTTWYAC-HXUWFJFHSA-N 421.884 4.739 0 40 HJAB COc1ccc(C(=O)CN(C2=NCCCS2)c2ccc(Cl)cc2)cc1OC 4708506 UFOGLTQMFXRIJK-UHFFFAOYSA-N 404.919 4.539 0 40 HJAB CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1cc(OC)ccc1OC 4849385 UIFAHMLWPGFWJN-UHFFFAOYSA-N 412.511 4.554 0 40 HJAB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1 4928693 UADHLQCUBKDLGB-QHCPKHFHSA-N 409.445 4.833 0 40 HJAB COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccccc3F)cc2O)cc1 5572691 SMNTXUSVJQKOGO-UHFFFAOYSA-N 417.440 4.825 0 40 HJAB biogenic COc1ccc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 5689632 FFRGQBRVFGVVBE-LJQANCHMSA-N 413.271 4.817 0 40 HJAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccccc2)cc1 5895936 USOIXSDZDNZRMO-WMZHIEFXSA-N 415.489 4.863 0 40 HJAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C)cc1C 6169091 BRPBDYRQVNNAMT-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB Cc1c(C(=O)NC[C@H](c2ccco2)N2CCCC2)oc2ccc(Br)cc12 6746158 GAVXDGMLAJKKHD-MRXNPFEDSA-N 417.303 4.664 0 40 HJAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccccc2F)N1CCc1ccccc1 6752877 SJQAQESBFCCTGN-DEOSSOPVSA-N 413.452 4.709 0 40 HJAB CCc1ccc(C(=O)[C@@H](C)Sc2nnc(COc3ccc(Cl)cc3)n2C)cc1 7236265 GOUSRCXEBGXCDN-CQSZACIVSA-N 415.946 4.973 0 40 HJAB CN(C)C(=O)[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1 7791075 OHEDHJOTNFEWKV-FQEVSTJZSA-N 417.538 4.683 0 40 HJAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1C(=O)NCc1ccco1 8752204 ZYBVHVPNBNRHIP-UHFFFAOYSA-N 417.490 4.894 0 40 HJAB Cc1ccc(C(=O)[C@@H](CC(=O)c2ccsc2)S(=O)(=O)c2ccc(C)cc2)cc1 9591937 LJQQVPDRQTVNRE-OAQYLSRUSA-N 412.532 4.663 0 40 HJAB CCc1ccc([C@@H](NC(=O)c2ccc3c(c2)NC(=O)CS3)c2cccs2)cc1 9902096 TXLQZEYVXNYPRY-OAQYLSRUSA-N 408.548 4.874 0 40 HJAB O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 10039341 UFRYGSKGHQFUMJ-XNTDXEJSSA-N 412.898 4.793 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C)c3C)cc2C)cc1 10315260 PONAUROXGNHSMC-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 10330215 XSCRUMKRZVCJBH-UHFFFAOYSA-N 422.550 4.930 0 40 HJAB Cc1cccc(C)c1OCCCn1c(CNC(=O)c2ccco2)nc2ccccc21 11667213 CUZJPTFNIQNQCQ-UHFFFAOYSA-N 403.482 4.645 0 40 HJAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C1 12754531 ADICKRWDNPUXCX-LLVKDONJSA-N 412.328 4.529 0 40 HJAB O=C(NCc1ccc2c(c1)OCCO2)c1sc(-c2ccco2)nc1-c1ccccc1 13020737 RTCCPHMYUWXJKE-UHFFFAOYSA-N 418.474 4.771 0 40 HJAB COc1ccc(-c2csc(NC(=O)COc3cccc4ccccc34)n2)cc1OC 13112603 LOPVGQGVNOWNOQ-UHFFFAOYSA-N 420.490 4.998 0 40 HJAB CN(c1ccc(NCc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1)C1CCCCC1 13563108 UFOLLEONSHBVOI-UHFFFAOYSA-N 405.498 4.638 0 40 HJAB CC(C)c1ccc(OCC(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 16575945 WNLHVKURFGMVRU-UHFFFAOYSA-N 419.959 4.965 0 40 HJAB O=C(CCCNC(=O)c1ccco1)Nc1nc2ccc(Oc3ccccc3)cc2s1 19167813 RENVCTYMFXPEBN-UHFFFAOYSA-N 421.478 4.830 0 40 HJAB O[C@@H](CNCC1(N2CCCCC2)CCCCC1)COc1ccc(-c2ccccc2)cc1 19360360 UJFBNOXTOHJJBD-VWLOTQADSA-N 422.613 4.872 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cc1 19554170 LCTGIGUJNNBXRB-HNNXBMFYSA-N 417.431 4.539 0 40 HJAB CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]321 19795890 OQMUOVSEPOBWMK-BWLMZZBKSA-N 422.521 4.893 0 40 HJAB biogenic,in-vitro Cc1nccn1-c1ccccc1CNC(=O)c1ccc(CN2CCc3ccccc32)cc1 20458331 WBNIFFNOZNJCEU-UHFFFAOYSA-N 422.532 4.673 0 40 HJAB CC1=C([C@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)CC[C@@H]2C1=C[C@@H]1[C@H]2CC=C2C[C@@H](O)CC[C@]21C 22056480 MNUNKCHZNVYRDJ-SQUQVDPDSA-N 411.630 4.762 0 40 HJAB in-vitro Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CCCNC(=O)c2ccsc2)n1 22400769 XIZURTHMCOVMNM-UHFFFAOYSA-N 424.551 4.810 0 40 HJAB COc1cccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c1OC 22507993 DGAJJWNVEDOMMH-UHFFFAOYSA-N 411.502 4.673 0 40 HJAB C[C@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1nnc(-c2cccs2)o1 22977270 RNMVPIWYNVFSDF-LBPRGKRZSA-N 424.457 4.530 0 40 HJAB Cc1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)o1 29612897 FGZVUHCORSJGQN-UHFFFAOYSA-N 412.283 4.854 0 40 HJAB CCOc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1 32116538 IQYKSQSLWUSSRN-UHFFFAOYSA-N 415.081 4.568 0 40 HJAB O=C1CCCc2cc(C(=O)NC[C@@H]3CC4c5ccccc5C3c3ccccc34)ccc2N1 32945930 UIWUJWRWGNXUJN-BSWOLJSYSA-N 422.528 4.989 0 40 HJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 40108868 PXLNDZANKJNTCT-GOSISDBHSA-N 424.522 4.510 0 40 HJAB O=C(Nc1ccccc1O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 44917370 AIFBGMZHEQGRAU-JOCHJYFZSA-N 404.510 4.826 0 40 HJAB Cc1c(-c2ccccc2)sc2ncnc(Nc3ccc(N4CCOCC4)nc3)c12 57432173 BTKNVFGMUCSGKA-UHFFFAOYSA-N 403.511 4.642 0 40 HJAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1cccc(Oc2ccccc2)c1 71283793 WWDXSMGZXJABJX-LJQANCHMSA-N 405.454 4.671 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(-c3nccn3C)cc2)c1 72287415 VFECVBZYRXNEDP-UHFFFAOYSA-N 402.454 4.523 0 40 HJAB O=C(Cc1noc2ccccc12)Nc1ccccc1Cc1nc(-c2cccs2)no1 96358103 JNPFCAMCYCUHKH-UHFFFAOYSA-N 416.462 4.711 0 40 HJAB CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC 223125601 ZQIZMNSSZFQKAE-JOCHJYFZSA-N 414.977 4.996 0 40 HJAB Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccco1 223354825 LLPGALRXDCRWAX-DHIUTWEWSA-N 414.534 4.946 0 40 HJAB Cc1ccc(N(CC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)cc1C 223628582 YGLMYCPPLIVQOX-UHFFFAOYSA-N 422.506 4.608 0 40 HJAB CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1 224151999 GXSPJTAZCOHXKZ-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224715685 ULRZUIKWZKLGCS-UHFFFAOYSA-N 409.132 4.971 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1C 225072558 SYPIPIMWZMSUBH-JOCHJYFZSA-N 412.599 4.562 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccccc2C)c1 225362072 PYLYJOOSBHCJAJ-UHFFFAOYSA-N 402.585 4.700 0 40 HJAB Cc1ccc(SCCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)cc1 225478493 NORLEWKFWUUZFJ-FQEVSTJZSA-N 412.599 4.728 0 40 HJAB Cc1ccccc1CN(C(=O)CCc1ccccc1Cl)[C@@H](C)C(=O)NC(C)C 225493262 USTYDKSEJVAZLD-SFHVURJKSA-N 400.950 4.523 0 40 HJAB O=C(CC(c1ccccc1)c1ccccc1)N1CC[C@H](N2CCc3ccccc3C2)C1 225686821 GMZPDVNXZLDQND-SANMLTNESA-N 410.561 4.868 0 40 HJAB CCOC1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCCCC1 225709541 RMYIOTUMRIGWHM-UHFFFAOYSA-N 402.579 4.865 0 40 HJAB CCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCOCC2)c2ccccc12 225944671 UQQAGCLKJQZQRF-UHFFFAOYSA-N 419.477 4.654 0 40 HJAB CC(C)(Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCCCc1cccc(F)c1 227160071 FYMLNVQWTIXCNT-UHFFFAOYSA-N 415.896 4.571 0 40 HJAB Cc1cc(CC2CCN(C(=O)c3ccc(C)c(NCc4ccncc4)c3)CC2)ccn1 257332905 XZHHTAGZEVAVLW-UHFFFAOYSA-N 414.553 4.800 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3cccc(C(=O)O)c3)N21 260762670 HAXKPWABYPLQIA-HBGVWJBISA-N 418.522 4.550 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)c(C)c1 409176167 JIBMMSYAIUFIGI-UHFFFAOYSA-N 411.841 4.825 0 40 HJAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCC(n2cc(Cl)cn2)CC1 506229953 DJOBMDDFMSBFFR-UHFFFAOYSA-N 415.856 4.732 0 40 HJAB Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C1)CC2 592546089 PUXSSVUVUMVNHF-NQIIRXRSSA-N 420.488 4.761 0 40 HJAB CCCOc1ccccc1/C=C1/SC(N2CCN(c3ccccc3C)CC2)=NC1=O 1801471 DSFWJINCEGPIPM-OQKWZONESA-N 421.566 4.576 0 40 HJAB CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(Cl)cc4Cl)cc1c32 2221780 ABRUMFXTHDUIRB-UHFFFAOYSA-N 416.260 4.937 0 40 HJAB CSc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)cc1 2408257 ZFXUSQPJCSLOCK-HXUWFJFHSA-N 403.459 4.853 0 40 HJAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C(C)(C)C)cc2)N2C(=O)CCSC2=N1 2502036 IZRUMDCGZKWPHK-IBGZPJMESA-N 400.544 4.586 0 40 HJAB O=C(C[C@H]1Nc2cc(Cl)ccc2N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1 2633274 IYMNHKJSOCISRM-HXUWFJFHSA-N 423.875 4.835 0 40 HJAB O=C(COC(=O)/C=C/c1cccc(Cl)c1)NC(c1ccccc1)c1ccccc1 3229655 AESJRIRVSQAFLX-CCEZHUSRSA-N 405.881 4.802 0 40 HJAB CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl 3815345 RRWSNCZYJCOEFX-UHFFFAOYSA-N 405.289 4.501 0 40 HJAB in-vitro Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccccc2)c2cc(Cl)ccc21 4784323 OMBVPNSTMBFDQL-DEOSSOPVSA-N 405.881 4.656 0 40 HJAB CCN(CC)S(=O)(=O)c1cccc(-c2n[nH]c(=S)n2C(C)(C)CC(C)(C)C)c1 6173358 UKUXVDIRKVQYJS-UHFFFAOYSA-N 424.636 4.809 0 40 HJAB COc1cc(N)c(Cl)cc1C(=O)OCc1cc(=O)oc2cc(C)c(C(C)C)cc12 6941961 BVLOTXHNLHDSOF-UHFFFAOYSA-N 415.873 4.826 0 40 HJAB O=C(COc1ccccc1-c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8156160 ZCSDELFGZOTJMB-JOCHJYFZSA-N 415.489 4.867 0 40 HJAB CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(Cl)c2)C1=O 8396336 AUMVQWOFHPSZQJ-LICLKQGHSA-N 417.870 4.673 0 40 HJAB COc1ccc(-c2c3c(nc4sc(C(=O)Nc5cc(C)no5)c(N)c24)CCC3)cc1 8783654 GEOVXXSYIOZDBR-UHFFFAOYSA-N 420.494 4.592 0 40 HJAB O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1N1CCc2ccccc2C1 8844626 UJGKTSBWZHNYPZ-UHFFFAOYSA-N 422.531 4.799 0 40 HJAB Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)c(Cl)c2)o1 9573857 HZHJQKICKBUMDI-UHFFFAOYSA-N 401.253 4.945 0 40 HJAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(C(C)(C)C)cc3)co2)n1 9829211 ANCNMYWRLKFLRY-UHFFFAOYSA-N 424.522 4.856 0 40 HJAB O=C(CCCc1nc2ccccc2s1)NCc1ccccc1CN1CCCCC1 10281840 ANHZEJSTWPWBSF-UHFFFAOYSA-N 407.583 4.921 0 40 HJAB COc1ccc(CN(Cc2ccc(C)o2)C[C@H]2CCCO2)cc1Cn1nc(C)cc1C 12187440 WAQXMBCNSIPTQW-HSZRJFAPSA-N 423.557 4.639 0 40 HJAB Cc1ccc(N2C[C@@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)c(C)c1 12416007 IMJWWSBTDYCZPT-HNNXBMFYSA-N 401.388 4.893 0 40 HJAB O=C(Nc1ccccc1O)C1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)CC1 12797437 YEPAGIUDEAOGSW-CMDGGOBGSA-N 419.308 4.590 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(/C=C/c2ccccc2C)n1 12844801 ZGTIRJQOVGAEKN-JXMROGBWSA-N 414.918 4.676 0 40 HJAB COc1ccc([C@H](C)NCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1F 12993650 VXDIDZVOBMCZFW-HNNXBMFYSA-N 414.477 4.555 0 40 HJAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3nc(C)c(Cl)cc3Cl)n2)cc1 13128888 BZWOHVKUTFIFOS-UHFFFAOYSA-N 422.341 4.775 0 40 HJAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)cc1OC 17089651 BVGAVAQIWPBISP-UHFFFAOYSA-N 413.543 4.568 0 40 HJAB Cc1ccc(C2=NCCNC3=C2[C@@H](c2ccccc2F)N(c2ccccc2)C3=O)cc1 19874914 IVCFRPALKQANDY-RUZDIDTESA-N 411.480 4.569 0 40 HJAB CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl 20062638 DJMFZHIENQIDHV-UHFFFAOYSA-N 420.962 4.575 0 40 HJAB Cc1cc(C(=O)CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(C)s1 22131971 DCFFCJQZUSCVNZ-IBGZPJMESA-N 413.539 4.853 0 40 HJAB Clc1cccc(Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)c1 24203680 SWMBELKJVSSCNS-UHFFFAOYSA-N 414.962 4.799 0 40 HJAB CCCOc1ccc2ccccc2c1CN(C)Cc1cc(=O)n2cc(Cl)ccc2n1 28721004 VSGXWMUVQPERFG-UHFFFAOYSA-N 421.928 4.922 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(CN2CCCCCC2)cc1 30941623 DMSIFBPGHVQKQZ-UHFFFAOYSA-N 419.569 4.941 0 40 HJAB COc1ccc(-c2nc(CSCC(=O)NCc3ccc(F)cc3)cs2)cc1 31413256 XPILMHDBKCRZCR-UHFFFAOYSA-N 402.516 4.507 0 40 HJAB Cn1c(SCc2nc(-c3ccccc3)c3ccccc3n2)nc2ccccc2c1=O 31696431 KILOQSQWRLZOBY-UHFFFAOYSA-N 410.502 4.836 0 40 HJAB O=C(C[S@@](=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)NCc1ccc(F)cc1 32801038 UYZGGJSJAMDCIY-DFHRPNOPSA-N 415.917 4.634 0 40 HJAB O=C(NCc1ccc(C(=O)N2CCCc3c(F)cc(F)cc32)cc1)c1cccs1 40133719 ITAXSKIMGNDDTO-UHFFFAOYSA-N 412.461 4.549 0 40 HJAB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1O 43079620 SNRMHTGDKWOUJA-NVNXTCNLSA-N 415.287 4.716 0 40 HJAB Cc1nc(C)c(-c2nnc(SCc3cc(Cl)c4c(c3)OCCCO4)o2)s1 48231254 NFKAQGCNZFLNTH-UHFFFAOYSA-N 409.920 4.917 0 40 HJAB O=C(OCc1nc(-c2ccc(Br)cc2)no1)c1cc(Cl)ccc1F 51315149 KBCDWURNVSWQPW-UHFFFAOYSA-N 411.614 4.649 0 40 HJAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1 57851669 DNZBQQRNHBAHEI-CYBMUJFWSA-N 412.748 4.796 0 40 HJAB Cc1sc2nc(-c3cccs3)nc(N3CCC[C@H](C4OCCO4)C3)c2c1C 69221995 HLRZRGJOSXJAEJ-AWEZNQCLSA-N 401.557 4.626 0 40 HJAB COc1ccc(CN2CCC(NC(=O)N(C)C3CCCCCCC3)CC2)cc1F 69971784 SSXVBBGEWVJLIS-UHFFFAOYSA-N 405.558 4.553 0 40 HJAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cncc(Br)c1 72230023 PULXJHXXNAVDBZ-SFHVURJKSA-N 417.690 4.832 0 40 HJAB COc1ccccc1CN(CCN(C)C)Cc1c(C2CCCC2)[nH]c2ncccc12 72393717 CWHXPJUPOJOEGZ-UHFFFAOYSA-N 406.574 4.793 0 40 HJAB CCCCNC(=O)OC[C@]12CO[C@H](c3ccc4c(c3)OCO4)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 100740826 IIOVNYVUSZTJQU-VAKSCWFKSA-N 415.530 4.848 0 40 HJAB biogenic O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc(Cl)c1N1CCCC1 107810025 YHEUUGLHLDYWLF-UHFFFAOYSA-N 408.354 4.649 0 40 HJAB CC1(C)C[C@H](NC(=O)COc2ccc(Cl)cc2Br)c2ccccc2O1 218857340 NQSXHVCDJAJXPO-HNNXBMFYSA-N 424.722 4.900 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 223208892 TUQMNVYBPHRWSR-HSZRJFAPSA-N 424.585 4.876 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 223252951 QIPHKSZCSMHAPG-OAQYLSRUSA-N 414.977 4.913 0 40 HJAB C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCCCc3ccc(F)cc3)cn2)C1 223969011 AWLHLPPIQMTBQV-IAGOWNOFSA-N 400.567 4.622 0 40 HJAB CCN(c1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1)S(=O)(=O)c1ccccc1 224366475 FLMLYMBYBVLXTB-IBGZPJMESA-N 422.550 4.701 0 40 HJAB CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Br)c1 224882607 GIEWHFUCBSNGAC-UHFFFAOYSA-N 418.740 4.635 0 40 HJAB CC(=O)c1cccc(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)c1 224887975 CHYMGRRTDVVWET-UHFFFAOYSA-N 413.271 4.878 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 225451906 VGWYXMCDGJGWNE-OALUTQOASA-N 414.977 4.647 0 40 HJAB CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1OC)c1ccc(C)c(C)c1 225834010 SDGJBQQNGGSRCM-MRXNPFEDSA-N 412.349 4.504 0 40 HJAB Clc1ccc(Cc2nnc3sc(-c4ccc(Br)cc4)nn23)cc1 226300060 OHVXKZXJMKKMIM-UHFFFAOYSA-N 405.708 4.860 0 40 HJAB COC(=O)c1ccc(OCc2ccc(Br)cc2)c(Br)c1 226328849 VEHBADVDCOFSKX-UHFFFAOYSA-N 400.066 4.577 0 40 HJAB Cc1cc(C)cc(-c2cccc(CC3(C(=O)N[C@@H]4CCCN(C)C4)CCOCC3)c2)c1 257202995 AOESKDGMSPQFTI-RUZDIDTESA-N 420.597 4.520 0 40 HJAB CCNc1nc(C)c(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)s1 257314006 UVAAFEYUADQXOL-KRWDZBQOSA-N 414.506 4.579 0 40 HJAB FC(F)(F)c1ccccc1Cc1cccc([C@H]2CN(Cc3cccnc3)CCO2)n1 257314875 UYXSVYLSKNZWFQ-JOCHJYFZSA-N 413.443 4.660 0 40 HJAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(OC)c(O)cc4Cl)OCC[C@@]31C2 257334181 YEXBBIGWBBPZMP-SQNDNNRGSA-N 421.965 4.853 0 40 HJAB CCOC(=O)c1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 408618065 BVMMIJGPJBDMKH-BXLRBYEISA-N 405.494 4.946 0 40 HJAB CC1CCN(c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 408706987 GHUONQKGDVHBLR-QGZVFWFLSA-N 411.933 4.568 0 40 HJAB O=C1NC(=O)/C(=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)N1 408743014 YKWUOECSMYQYPS-JWGURIENSA-N 405.457 4.992 0 40 HJAB C[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 409003046 QWMOVJXVFQQKRK-SFHVURJKSA-N 423.509 4.775 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 409339454 IHPBXRCCTATWDN-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2C)c1 409410300 MHCIRXFCNJOVFE-UHFFFAOYSA-N 412.486 4.804 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2C)cc1C 409411276 VTXIRPBHNVDDMF-UHFFFAOYSA-N 412.486 4.804 0 40 HJAB COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)c2ccccc2)c1O 585261212 QPDKPJYZEQBIIK-IRZJBLPKSA-N 421.537 4.713 0 40 HJAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)COc2ccccc2C)o1 1848353299 BRSCZPWYCWNDTN-OAQYLSRUSA-N 420.509 4.715 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc3cc(C)c4ccccc4n23)cc1 1221465 VPLHXBACEWAHDV-HNNXBMFYSA-N 404.495 4.513 0 40 HJAB COc1ccccc1NC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2368378 SJVTYEMHCXJGEI-UHFFFAOYSA-N 423.476 4.725 0 40 HJAB Clc1ccc(-n2ncc3c2ncn2nc(Cc4cccc5ccccc45)nc32)cc1 2434776 HBCGGHZHBVAHIN-UHFFFAOYSA-N 410.868 4.861 0 40 HJAB O=C(OCc1cccc(C(F)(F)F)c1)c1ccc(I)cc1 3271610 ZCPMGWJLHTXVGU-UHFFFAOYSA-N 406.141 4.667 0 40 HJAB CCCCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nc2ccccc2c1=O 3295919 QUYCJQHQOOHZPZ-UHFFFAOYSA-N 405.523 4.961 0 40 HJAB CCOc1ccccc1NC(=O)[C@@H](Nc1ccc2c(c1)OCCO2)c1ccccc1 3300384 KVGINDCAXJPKTF-QHCPKHFHSA-N 404.466 4.648 0 40 HJAB COc1ccc(NC(=O)c2ccc(NC(=O)CCOc3cccc(C)c3)cc2)cc1 3353680 BUJAWGLWIZCOET-UHFFFAOYSA-N 404.466 4.664 0 40 HJAB COc1ccc2c(c1)CCc1sc(NC(=O)c3cc(Cl)ccc3OC)nc1-2 3651734 PRVIRRFLPJKWAW-UHFFFAOYSA-N 400.887 4.832 0 40 HJAB CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)Nc1ccccc1 4169178 UPWWBPMZNJCYOH-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB O=C(COc1ccccc1F)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4267246 NKDUYGREWPSYGV-UHFFFAOYSA-N 404.397 4.842 0 40 HJAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(C)cc3)c3cc(Cl)ccc32)cc1 4784329 OTBTXDVYMAVCBS-RUZDIDTESA-N 419.908 4.964 0 40 HJAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1CCOc1ccccc1 4852024 USFKMDZKSWXSFB-VEYUFSJPSA-N 423.512 4.804 0 40 HJAB CC1(C)C[C@@]2(CCCN(CCCN3CCC[C@]4(CCOC(C)(C)C4)C3)C2)CCO1 5008160 SWVWVYHFWXGIGF-JWQCQUIFSA-N 406.655 4.719 0 40 HJAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1cc(Cl)cc(Cl)c1 5528413 FLLSCMFAICMZNM-UHFFFAOYSA-N 404.282 4.544 0 40 HJAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)c3ccc(Br)cc3)n2)cc1 5867473 NXQVQJMUQSAIDE-GFCCVEGCSA-N 402.317 4.906 0 40 HJAB CC(C)COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 6238903 SUFJJCROHULODX-UHFFFAOYSA-N 422.447 4.829 0 40 HJAB Cc1ccc(-n2c(C)cc(C(=O)CSc3nc(=O)c4ccccc4[nH]3)c2C)cc1C 6507590 LBAMZXALOBAOAJ-UHFFFAOYSA-N 417.534 4.922 0 40 HJAB COc1ccccc1/C=C/C(=O)OCC(=O)Nc1ccccc1Oc1ccccc1 6551834 QDDGHSWKFYEHTB-FOCLMDBBSA-N 403.434 4.683 0 40 HJAB CSCC[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 6578986 WAEYWHRYYLYFOM-OAQYLSRUSA-N 406.555 4.978 0 40 HJAB COc1ccccc1[C@@H](CNC(=O)c1oc2c(Cl)cccc2c1C)N1CCCC1 6589299 WROAXFQGXGPSAO-LJQANCHMSA-N 412.917 4.970 0 40 HJAB O=C(O)/C(=C/c1cc(Cl)ccc1O)Sc1nnc(-c2ccc(Cl)cc2)[nH]1 7603250 FKZGVSAUAOIIPT-ZSOIEALJSA-N 408.266 4.702 0 40 HJAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccncc2)c(C)c1 7778067 ZIJZIOXRVRXCLG-UHFFFAOYSA-N 415.522 4.742 0 40 HJAB O=C(c1ccc(C2SCCS2)cc1)N1CCN(c2cccc(Cl)c2)CC1 8015401 MTZOFZNIZZZUDR-UHFFFAOYSA-N 404.988 4.781 0 40 HJAB COc1cccc(Nc2nnc(SCc3cc(Cl)c4c(c3)OCO4)s2)c1 8747373 BGRQPHKPRFDXNI-UHFFFAOYSA-N 407.904 4.965 0 40 HJAB COc1ccc(Cn2c([C@@H]3CC(=O)N(c4cccc(C)c4)C3)nc3ccccc32)cc1 8845004 MLCALRPQACMDOF-HXUWFJFHSA-N 411.505 4.922 0 40 HJAB CCN1C(=O)c2cc(NS(=O)(=O)c3cccc(C)c3)ccc2Oc2ccccc21 8961120 RAMCXFXQAAXUBM-UHFFFAOYSA-N 408.479 4.568 0 40 HJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3ccc(Br)o3)ccc1O2 9135010 NXNZLZMNJWMBDG-UHFFFAOYSA-N 413.227 4.961 0 40 HJAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CC[C@H]2CCCC[C@@H]2C1 9337261 JUZYFADIUXEFIU-IFMALSPDSA-N 400.526 4.646 0 40 HJAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@H]1CCCN1C(=O)c1cccs1 9337316 LGFYVDOYLYJKPH-HXUWFJFHSA-N 424.497 4.601 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1nnc(-c2ccccc2)o1 9712528 ZKXVDPOMLKUQHM-UHFFFAOYSA-N 413.792 4.850 0 40 HJAB O=C(NCCCCOc1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9721577 RWNKYTPIQJQDLV-NRFANRHFSA-N 410.514 4.554 0 40 HJAB O=C(CSc1ncnc2ccccc12)N1CCC[C@@H](c2nc3ccccc3s2)C1 9913875 ITAQTLZQTISKRY-OAHLLOKOSA-N 420.563 4.738 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(NC(=O)C3CC3)cc2)c(Br)c1 10842448 PJVGWFNXEMTNAM-CYBMUJFWSA-N 416.319 4.545 0 40 HJAB CC(=O)Nc1ccc2c(CSc3nccn3-c3cc(C)ccc3C)cc(=O)oc2c1 12603298 CZZXQLQGPPHHDM-UHFFFAOYSA-N 419.506 4.846 0 40 HJAB Cc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccnc2)N2N=CNC2=N3)cc1 13213783 GXQGUAHMKPPOKP-RPWUZVMVSA-N 407.477 4.503 0 40 HJAB Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2cccs2)C4)cc1 13634389 WKKRBBJIGSDAEK-OAHLLOKOSA-N 406.536 4.699 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2ccc(C(C)C)cc2)cc1 16838124 BNHSZNBSPFCAIQ-NRFANRHFSA-N 414.571 4.690 0 40 HJAB CCc1ncc(CN2CCC[C@@H]2c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)cn1 19523409 XEYAAYWNLGRHJH-QGZVFWFLSA-N 418.467 4.561 0 40 HJAB COc1ccc2cc(/C=C3\N=C(c4ccccc4)OC3=O)c(N3CCCCC3)nc2c1 19995503 ZXCQAVUOFZHYJL-JCMHNJIXSA-N 413.477 4.578 0 40 HJAB CCc1nc2sc([C@H](c3ccco3)N3CCC(Cc4ccccc4)CC3)c(O)n2n1 22853862 RSSOWUKWXFXZRB-FQEVSTJZSA-N 422.554 4.696 0 40 HJAB Cc1cc2nc(C)c(CCC(=O)N3CCC[C@H]3c3nc4ccccc4s3)c(C)n2n1 31390762 IWGYQCVNQLJSRG-IBGZPJMESA-N 419.554 4.561 0 40 HJAB Cc1ncc(NC(=O)Cc2ccc(F)cc2)n1-c1nc(-c2ccc(F)cc2)cs1 32615888 DJROWHLTSSCPPX-UHFFFAOYSA-N 410.449 4.764 0 40 HJAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCN1C(=O)c1ccccc1 32759863 MLPXYGQPHHVCLT-FQEVSTJZSA-N 408.885 4.521 0 40 HJAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1COc1ccccc1 32888975 VZVUGQRTRBQSCR-UHFFFAOYSA-N 411.465 4.506 0 40 HJAB Cc1ccc(CSc2nnc([C@H](C)NC(=O)c3ccccc3Cl)n2C)cc1 33794438 XIVBNGKVHJSKDY-AWEZNQCLSA-N 400.935 4.560 0 40 HJAB O=S(=O)(c1ccccc1)N(Cc1ccccc1)Cc1coc(-c2cccc(F)c2)n1 40071576 RDEGEFSNCJJMCC-UHFFFAOYSA-N 422.481 4.872 0 40 HJAB COc1cc2ncnc(-c3cccnc3)c2cc1OCCc1ccc2ccccc2n1 43194381 FVMVYWKWNZLMBT-UHFFFAOYSA-N 408.461 4.870 0 40 HJAB in-vitro CSc1ccccc1CN1CCC(CNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 43991323 OPCRJCCTNXTHET-UHFFFAOYSA-N 412.643 4.953 0 40 HJAB Cc1cc2cc(NC(=O)[C@@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)ccc2[nH]1 58167105 HLDSSORLVYAUIB-OAQYLSRUSA-N 401.432 4.869 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cnc2scc(-c3cccc(OC)c3)n2c1=O 64787925 BQDVWROHIVJYOC-UHFFFAOYSA-N 419.506 4.555 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(SC(F)F)cc2)cc1 65551336 DBPBRCMYNMJTTL-UHFFFAOYSA-N 406.483 4.870 0 40 HJAB CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-n2cncn2)cc1 72283610 HFMBQYMQWBNCOW-UHFFFAOYSA-N 417.435 4.775 0 40 HJAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4cccc5ccccc45)C[C@H]23)cc1 72399149 LNEVPFXROOQESQ-ZONZVBGPSA-N 414.549 4.685 0 40 HJAB COc1cccc([C@@H](C)Sc2nnc(CN3CCCC3)n2Cc2ccccc2)c1 79001625 BWQRUZYHOHNCEA-GOSISDBHSA-N 408.571 4.784 0 40 HJAB COc1ccccc1OC[C@H](O)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 82086507 TYYQYKFRLBNZDO-LJQANCHMSA-N 422.912 4.729 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 85945233 NCMXLZBQFZUUHH-BDTNDASRSA-N 418.880 4.700 0 40 HJAB CCc1ccc2c(CNc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)cc(=O)oc2c1 95364979 JXGOCZNXWMNTOX-IYBDPMFKSA-N 410.489 4.720 0 40 HJAB Cn1cc(CN2CCOC[C@H]2c2nc(-c3ccc(Cl)s3)c[nH]2)c2ccccc21 96112655 PPRDVHAYNACNGZ-SFHVURJKSA-N 412.946 4.857 0 40 HJAB biogenic,in-vitro CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 102717595 GRYBUPGQWXZFDB-WXFUMESZSA-N 412.489 4.609 0 40 HJAB Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1Cl 220362856 IAYJGJDJWLDDBE-OAHLLOKOSA-N 408.951 4.565 0 40 HJAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)N[C@H](C)CC)cc1 222612660 IBZKKKWGNYFFSV-PXDATVDWSA-N 422.613 4.946 0 40 HJAB COc1cc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)cc(OC)c1OC 222934610 FPSFFDBGOQSRMI-UHFFFAOYSA-N 405.494 4.503 0 40 HJAB CCN(c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 224354587 LPTUTKQEYVNFTC-UHFFFAOYSA-N 414.914 4.808 0 40 HJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Br)cc2F)cc1C 225790732 KOXMPOTZDXIOKA-ZDUSSCGKSA-N 411.340 4.959 0 40 HJAB C[C@@H](NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(F)cc1 225806151 KNISVFMPTIUNCV-GFCCVEGCSA-N 407.367 4.705 0 40 HJAB CC1CCN(c2cc(C(F)(F)F)nc(NC(=S)N[C@@H](C)c3ccccc3)n2)CC1 225963464 BWMMVRKNRAFVPG-AWEZNQCLSA-N 423.508 4.779 0 40 HJAB O=C(CCNC(=O)c1ccc2nc(Cl)sc2c1)Nc1cccc2ccccc12 225980267 STNDVPFWUYTNOU-UHFFFAOYSA-N 409.898 4.862 0 40 HJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3sc(C)nc3C)CC2)n1 257201876 AJLNQNWPIDPRDB-UHFFFAOYSA-N 410.543 4.701 0 40 HJAB O=S(=O)(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)c1cc(Cl)ccc1Cl 408713196 NRLAQAFTPBHODH-UHFFFAOYSA-N 402.690 4.838 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(COc2c(C)cccc2C)o1 409166793 GQBNIUYXJIQQTR-UHFFFAOYSA-N 417.918 4.958 0 40 HJAB O=C1CCc2cc(NC(=O)NC[C@@H]3CC4c5ccccc5C3c3ccccc34)ccc2N1 642491212 LZCPSKQXDQGBGK-LCMVAZINSA-N 423.516 4.990 0 40 HJAB O=C(N1CC[C@H](C(F)(F)F)c2ccccc21)C(F)(F)n1cc(-c2ccccc2)nn1 1523479157 VMBRYSWGZRIIGO-HNNXBMFYSA-N 422.357 4.577 0 40 HJAB O=S(=O)(Cc1cc(NCc2ccccc2)nc(-c2ccccc2)n1)c1ccccc1 1404372 BHOGXQMLEQSNIZ-UHFFFAOYSA-N 415.518 4.730 0 40 HJAB CCOc1ccc(-c2csc(N[C@@H]3OC(=O)c4c3ccc(OC)c4OC)n2)cc1 2200079 BVEDBYPBRAHYBX-LJQANCHMSA-N 412.467 4.507 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 2444957 GUNAROVAVYMKJO-UHFFFAOYSA-N 415.522 4.623 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1nccn1-c1cccc(C)c1C 2723076 JUNSJMYPCJUHFS-UHFFFAOYSA-N 401.919 4.882 0 40 HJAB COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CSC3)c1OC 3008347 RILXFKLLELVNBV-UHFFFAOYSA-N 409.511 4.505 0 40 HJAB Cc1cccc(NC(=O)CN(CC(=O)Nc2cccc(C)c2C)Cc2ccco2)c1C 3289188 IOFUTCWCTJPWQX-UHFFFAOYSA-N 419.525 4.593 0 40 HJAB CCC(=O)Nc1ccc(C(=O)CSc2nnc(NC3CCCCC3)s2)cc1 3363193 FMKJMWXFTOFLJE-UHFFFAOYSA-N 404.561 4.606 0 40 HJAB CCn1c(SCC(=O)c2cc(C)n([C@@H](C)COC)c2C)nnc1-c1cccs1 3391648 POZUZAMRAWVWKJ-AWEZNQCLSA-N 418.588 4.627 0 40 HJAB O=C(Nc1ccccc1OCC(F)(F)C(F)F)c1ccc(Br)cc1 4387238 MHPZVQUMLQRIFC-UHFFFAOYSA-N 406.173 4.981 0 40 HJAB Cc1c(Cl)cccc1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2ncccn12 4734304 KXQHSSVFVNTNOK-UHFFFAOYSA-N 419.916 4.938 0 40 HJAB C[N+]1=C(C=Cc2ccc(O)cc2I)C(C)(C)c2ccccc21 4769196 SYHOYOWLMCPXEV-UHFFFAOYSA-O 404.271 4.716 0 40 HJAB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1cc(OC)cc(OC)c1 4849349 KULCHXCZJAMPJV-UHFFFAOYSA-N 412.511 4.554 0 40 HJAB COc1ccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)n2)cc1 4890279 SSZVYNMTWGBRCK-HNNXBMFYSA-N 412.877 4.810 0 40 HJAB Nc1c(-c2nc3ccccc3[nH]2)c2nc3ccccc3nc2n1Cc1ccccc1F 5207163 XBERQLRQMDSXFY-UHFFFAOYSA-N 408.440 4.897 0 40 HJAB C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1Cl 6376077 JALDASHADMKNAI-ZDUSSCGKSA-N 402.853 4.854 0 40 HJAB COc1cc(NC(=O)Cc2c(C)c3c(cc(C)c4c(C)coc43)oc2=O)cc(OC)c1 6623915 QKLFZFPXMDMVQW-UHFFFAOYSA-N 421.449 4.663 0 40 HJAB biogenic Cc1cc(=O)n2c(n1)NC(Nc1ccc(C(C)C)cc1)=N[C@H]2c1cccc(Cl)c1 7495803 IQMIGUGESYJZJU-HXUWFJFHSA-N 407.905 4.769 0 40 HJAB COc1ccc([C@@H](CNC(=O)COc2ccccc2)c2c[nH]c3ccccc23)cc1 7890171 AGAAPCKBMLBWNN-JOCHJYFZSA-N 400.478 4.504 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)c(C)c1 7928076 GJFCSSMPPGPABG-INIZCTEOSA-N 415.331 4.674 0 40 HJAB CCc1ccc(NC(=O)Cc2nc(-c3ccc(N4CCCC4=O)cc3)cs2)cc1 8297049 MMPLJVOXCVAKPL-UHFFFAOYSA-N 405.523 4.681 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 8755158 JZXKLGBKMONTJX-OAQYLSRUSA-N 417.534 4.826 0 40 HJAB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 8767290 FWTRPYDCAPHLHD-INIZCTEOSA-N 410.301 4.564 0 40 HJAB Cc1cc(C)cc(N(CC(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)c1 9667984 XCKXDBATLUAWBY-UHFFFAOYSA-N 424.522 4.500 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(NS(C)(=O)=O)c(C)c3)ccc21 10112997 ZGGUNWGGBYNAOS-UHFFFAOYSA-N 421.522 4.747 0 40 HJAB COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)c3ccccc3)c3nccs3)C2)cc1 12183413 KQBLGLBANFPENM-RBBKRZOGSA-N 421.566 4.535 0 40 HJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2C[C@@H](C)C[C@H](C)C2)cc1 12419433 MJVGAHJLDCFNMM-HOTGVXAUSA-N 400.500 4.558 0 40 HJAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2C)CC1=O 12463067 VFNHRYFAQKZDGZ-HXUWFJFHSA-N 411.505 4.922 0 40 HJAB Cc1nn2c(nc(NCc3ccc(Cn4ccnc4)cc3)c3ccccc32)c1Cl 12727446 JQSCFRFRZCAYEF-UHFFFAOYSA-N 402.889 4.701 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 12798366 VHFLOEFBKVDMTO-RTBURBONSA-N 408.542 4.978 0 40 HJAB CC(C)Cc1nc2oc3c(NCc4ccccn4)ncnc3c2c2c1COC(C)(C)C2 13207109 DVRCRGNUKWUQHF-UHFFFAOYSA-N 417.513 4.828 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@@H](O)[C@@H](O)[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 13408979 RPBAJJRDQPLSHK-ZVKCTTDXSA-N 406.607 4.566 0 40 HJAB O=C(CSc1nnc(-c2ccccn2)c(-c2ccccn2)n1)c1ccc(Cl)cc1 13566506 QCNMWXZNYSQRKK-UHFFFAOYSA-N 419.897 4.624 0 40 HJAB CCC[C@H](NC(=O)Cn1c(-c2ccc(Cl)cc2)n[nH]c1=S)c1ccccc1 14196940 LFMWLSAUHRAXAJ-KRWDZBQOSA-N 400.935 4.919 0 40 HJAB Cc1ccc(-n2ncc(-c3nnnn3-c3ccc(Cl)cc3)c2C(F)(F)F)c(C)c1 16285048 IONRTTVGXOYQLE-UHFFFAOYSA-N 418.810 4.804 0 40 HJAB O=C(CSc1nc(-c2cc3ccccc3oc2=O)cs1)Nc1ccc(F)cc1 16525650 LTBRRHWJPMQRSN-UHFFFAOYSA-N 412.467 4.786 0 40 HJAB CCCc1nn(CC(=O)N(c2ccccc2)c2ccccc2)c(=S)n1-n1cccc1 16777290 QUKKWGAXNGXEMY-UHFFFAOYSA-N 417.538 4.844 0 40 HJAB COc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc23)cc1 16777454 NMMSEQKSLHLKOA-UHFFFAOYSA-N 419.868 4.826 0 40 HJAB O=C(CCc1nc(-c2ccsc2)no1)N1CCc2sccc2[C@H]1c1ccccc1 16963915 DANALHXBTHKJEL-OAQYLSRUSA-N 421.547 4.967 0 40 HJAB Cc1cc(O)c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1C 17087409 ZFXUKKHEPLIGQF-UHFFFAOYSA-N 406.507 4.715 0 40 HJAB CCC(=O)N1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 17092849 MUXLXISMRKTFTF-UHFFFAOYSA-N 421.928 4.804 0 40 HJAB CCc1nc2ccccc2c(C(=O)OCC(=O)N(C)Cc2ccc(Cl)s2)c1C 18763774 MNKOYJKILJRPCK-UHFFFAOYSA-N 416.930 4.636 0 40 HJAB O=C(c1ccncc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(CC3CCCCC3)CC[C@@H]21 19336203 VZDPDPHIWOQPAL-SDHOMARFSA-N 421.560 4.731 0 40 HJAB O=C(N[C@@H](c1ccccn1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 19400794 DMGCMOMRERMYSQ-OAQYLSRUSA-N 418.368 4.868 0 40 HJAB CN(C)c1ncc(-c2cccc(Cl)c2)c(C2CCN(C(=O)c3ccccc3)CC2)n1 19694167 UIOCBDOPQSWRQL-UHFFFAOYSA-N 420.944 4.883 0 40 HJAB CC(C)(C)c1ccc(-c2nn(CN3CCOCC3)c(=S)n2-c2ccccc2)cc1 19797679 NKMOADREEOTFLW-UHFFFAOYSA-N 408.571 4.657 0 40 HJAB CCOc1cc(OCC)cc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 20610348 KGVADRXBRAMEOP-UHFFFAOYSA-N 420.444 4.609 0 40 HJAB CCc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)cc1 27663864 LZXIVOYBTQQXKL-JOCHJYFZSA-N 400.950 4.625 0 40 HJAB COc1ccccc1CN(Cc1cccs1)C(=O)CCc1ccc2c(c1)OCCO2 30476549 GSSDVFYQHPNOGC-UHFFFAOYSA-N 423.534 4.690 0 40 HJAB Cc1ccc(C(=O)COC(=O)c2ccccc2C(=O)Nc2cccc3ncccc23)cc1 32122928 KPZGXUNBWSTZTE-UHFFFAOYSA-N 424.456 4.835 0 40 HJAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)COc1cc(Cl)ccc1Cl 32832131 XCKTVKXWVSASHJ-UHFFFAOYSA-N 407.297 4.555 0 40 HJAB CCc1c(C(=O)Nc2ccccc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 33026801 MRLKWYWXYLRKDX-UHFFFAOYSA-N 409.449 4.890 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3cccc(Cl)c3)c3c(C)nn(C)c3n2)c1 36616474 YRLGPLDPPREUCH-UHFFFAOYSA-N 406.873 4.858 0 40 HJAB Cc1nc(C(C)(C)C)nc2sc(C(=O)NCCCn3cnc4ccccc43)c(C)c12 39548573 UTRHEWDUOXASDQ-UHFFFAOYSA-N 421.570 4.775 0 40 HJAB COc1ccc(-c2nnc(SC[C@@H]3CCOC3)n2C2CCCCC2)cc1OC 42129609 ZYNCENUJDRMFOY-OAHLLOKOSA-N 403.548 4.596 0 40 HJAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(F)cc1F 57486712 FYAJDFIUINHNFE-UHFFFAOYSA-N 414.799 4.775 0 40 HJAB Cc1nccc(-c2cccc(NCC(=O)N3CC[C@H](C)Sc4ccccc43)c2)n1 57958650 HWUAVCKVGHPPKG-INIZCTEOSA-N 404.539 4.781 0 40 HJAB O=C(Cc1csc(-c2ncccn2)n1)Nc1cccc(C2SCCCS2)c1 58064295 VXLXUENPKSVDEJ-UHFFFAOYSA-N 414.581 4.650 0 40 HJAB COc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2OC)c1 67258429 CFGQCILRZZIXSU-UHFFFAOYSA-N 418.518 4.754 0 40 HJAB CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1nc2ccccc2[nH]1 68785516 KYBKPYPWDONTIU-FZKQIMNGSA-N 416.319 4.606 0 40 HJAB CC(C)n1ncc2c(C(=O)NCC[C@@H](O)c3ccccc3)cc(-c3ccccc3)nc21 72303083 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COc1ccc(NC(=O)C[C@@]2(C)NN=C(c3cccc4ccccc34)S2)c(OC)c1 149911195 CNNNNMUYRYBMHC-QHCPKHFHSA-N 421.522 4.600 0 40 HJAB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)COc1ccc(Br)cc1Cl)C2 195562382 LQXUXTBFWOJPLA-DJCROIMJSA-N 400.744 4.812 0 40 HJAB O=C(NCc1ccc([C@@H](O)c2ccccc2)s1)c1cccc(Br)c1 207970435 ZZROZLBTRYYXAN-SFHVURJKSA-N 402.313 4.522 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 222663974 ICXVVIHZFVUXMN-LJQANCHMSA-N 412.599 4.642 0 40 HJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccn(-c4ccc(OC)cc4)c3)N21 222719299 FQVHLDJHDHTFCU-MTNREXPMSA-N 404.539 4.860 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 222897953 YJHZJFOIEXPGQX-MRXNPFEDSA-N 418.940 4.744 0 40 HJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 222956215 SYDRVNBFUHXUEO-NRFANRHFSA-N 400.950 4.771 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)C(C)C 223577443 VAPZRROVKUQOPC-UHFFFAOYSA-N 416.927 4.596 0 40 HJAB CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 224553798 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HJAB COc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)cc(OC)c1OC 815122 DSQDUUSGEYKPAN-UHFFFAOYSA-N 423.252 4.927 0 40 HJAB CC[C@](C)(C(=O)Nc1c(C)cccc1C)N(C(=O)c1ccccn1)c1ccc(O)cc1 830303 PYGLYMXPVVDWRS-RUZDIDTESA-N 417.509 4.858 0 40 HJAB COC(=O)c1ccccc1NC(=S)N1CCC[C@@H](c2nc3cc(C)c(C)cc3[nH]2)C1 1350152 MRPKHUOBZREDLV-MRXNPFEDSA-N 422.554 4.543 0 40 HJAB CCOc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3cccc(OC)c3)no2)C1 1362474 GPFDMXSEBSVILD-QGZVFWFLSA-N 422.485 4.555 0 40 HJAB COc1ccc(-n2cc(-c3ccccc3)c3c(NC[C@@H]4CCCO4)ncnc32)cc1 1447719 LYFQYWGUPJANIH-FQEVSTJZSA-N 400.482 4.687 0 40 HJAB CCCOc1ccccc1Nc1ncnc2ccc(I)cc12 1779977 HZYALEGLLXRESW-UHFFFAOYSA-N 405.239 4.767 0 40 HJAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)sc2c1CCCC2 1904264 DLEMAJDAONJQKM-LBPRGKRZSA-N 407.919 4.781 0 40 HJAB COC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2C)sc2c1CCCC2 1914005 ZQXZHXZSAWWPGX-UHFFFAOYSA-N 401.528 4.828 0 40 HJAB Cc1ccc2c(c1)C1=C([C@@H](c3cccs3)O2)[C@@H](c2ccc(F)cc2)N2NC=NC2=N1 2707228 LMVQSYZTBOVYKZ-FGZHOGPDSA-N 416.481 5.000 0 40 HJAB COc1ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl 2715824 VOBCVAKJCFCNPK-UHFFFAOYSA-N 410.783 4.509 0 40 HJAB O=C1CN(C(=O)c2cccc(Cl)c2)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2724737 IFRRIIIMABOPCS-OAQYLSRUSA-N 412.823 4.802 0 40 HJAB COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 3099525 VGLVHBUPTPFKHQ-FQEVSTJZSA-N 411.608 4.923 0 40 HJAB Cc1ccc(NC(=O)CNc2ccccc2C(=O)NCc2ccccc2)c(Cl)c1 3408829 VQJCVUYQBXODKB-UHFFFAOYSA-N 407.901 4.629 0 40 HJAB C[C@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 4120477 GBBRAIKXMMJSOE-AWEZNQCLSA-N 408.445 4.604 0 40 HJAB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)cc2)cc1 4610784 SUBGWVVPOYQJTR-XGHOLHIDSA-N 405.494 4.913 0 40 HJAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c(C)c1 4784293 XQWODZBQXFXRJI-RUZDIDTESA-N 419.908 4.964 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3c(F)cc(F)cc3Br)no2)cc1 4880721 DNGUEMJBDPRVGA-UHFFFAOYSA-N 409.186 4.643 0 40 HJAB CCCc1cc(=O)oc2cc(OC(=O)CCCNC(=O)OC(C)(C)C)c(Cl)cc12 5047404 GNGBRYISPQSEKV-UHFFFAOYSA-N 423.893 4.609 0 40 HJAB Cc1nnc(S/C(=C\c2ccccc2OCc2cccc(Cl)c2)C(=O)O)[nH]1 6588341 YYDXSNYNNFMGFA-YVLHZVERSA-N 401.875 4.563 0 40 HJAB C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)N(C)Cc1ccco1 6590710 HYOALTIIPLKNOY-INIZCTEOSA-N 405.523 4.939 0 40 HJAB COc1ccc(C(=O)CN(C2=NCCCC2)c2ccc(Br)cc2)cc1 7275394 CSPUHNWEFOSEGO-UHFFFAOYSA-N 401.304 4.729 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCC[C@H]5CCCC[C@@H]54)c(=O)c23)cc1 7475312 HEOCTPVJVPZOJW-QUCCMNQESA-N 421.566 4.615 0 40 HJAB Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1CCC1=CCCCC1 7747561 DKYLQDVVBIWGGP-UHFFFAOYSA-N 408.329 4.742 0 40 HJAB CCCCN1C(=O)CC[C@@H](C(=O)NC2CCCCCC2)[C@H]1c1ccccc1OC 8193301 HEXWYJBOAWORJF-NFBKMPQASA-N 400.563 4.614 0 40 HJAB Cc1nc2ccc(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)cc2nc1C 8367450 IQPJFEGOSHBSEL-QGZVFWFLSA-N 402.523 4.876 0 40 HJAB COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc12 8439206 LCFAVXVTBLZUAG-UHFFFAOYSA-N 414.266 4.635 0 40 HJAB Fc1ccc(-n2c(Cc3ccccc3)nnc2SCc2nnsc2Cl)cc1 9204504 UWHCYDUPKLYJID-UHFFFAOYSA-N 417.922 4.794 0 40 HJAB COc1ccccc1NC(=O)c1ccc(NC(=O)CCc2nc3ccccc3o2)cc1 9363907 HIAWQDZUZLDCKW-UHFFFAOYSA-N 415.449 4.660 0 40 HJAB O=C(c1cccc(Oc2ccccc2)c1)N1CCC(C(=O)N2CCCCCC2)CC1 9502110 QQXXUBJRSYKUKZ-UHFFFAOYSA-N 406.526 4.734 0 40 HJAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCCCCC2)c1 9570133 GNFYHLXWMJAHNV-UHFFFAOYSA-N 420.582 4.661 0 40 HJAB C[C@H]1Oc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)cc2NC1=O 9592874 ARUMWNKVNOWQSI-MRXNPFEDSA-N 424.460 4.511 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)N[C@@H](c1ccccc1)C1CC1 9875868 LKAJWBWYOSESIE-FQEVSTJZSA-N 419.447 4.827 0 40 HJAB O=C(Nc1ccc(Br)cc1)c1cccn(Cc2ccccc2Cl)c1=O 10187778 JFATUBUESJSNPP-UHFFFAOYSA-N 417.690 4.565 0 40 HJAB Cc1cc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c(C)c1 10314855 AVYNSGPRXNMWQQ-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB COc1cc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1Cl 11601362 MTOZRLZNFQLDIB-OAHLLOKOSA-N 424.884 4.502 0 40 HJAB O=C(CCc1csc(NC(=O)c2ccc(Cl)cc2)n1)NCCC1=CCCCC1 11835435 HCNWFSNBWYRHRO-UHFFFAOYSA-N 417.962 4.988 0 40 HJAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3Cl)CC2)c2ccccc12 12814608 VRLGAORURYVPDM-UHFFFAOYSA-N 422.912 4.993 0 40 HJAB Cc1cc(C)c(NC(=O)[C@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 13038677 RAGGITKXIJGNOZ-SFHVURJKSA-N 419.491 4.780 0 40 HJAB CCc1ccccc1NC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 13137360 AWMRUAGDZXWIQD-HKWRFOASSA-N 401.495 4.601 0 40 HJAB CCc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 13684450 STLLVNSIUKQUPU-GOSISDBHSA-N 402.494 4.758 0 40 HJAB CCCCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(C)cc2C)CC1=O 14095522 MUTOVCUSNXWLCC-HXUWFJFHSA-N 405.542 4.848 0 40 HJAB CCc1ccc([C@@H](NC(=O)C[C@](O)(c2ccco2)C(F)(F)F)c2cccs2)cc1 14241810 SWRUIGICNWFVBI-UXHICEINSA-N 423.456 4.949 0 40 HJAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)NCc1ccc(Cl)cc1 15770910 AVPADWCAVFMCAX-UHFFFAOYSA-N 417.896 4.514 0 40 HJAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Br)cc1 16751687 BAIYIJRMXZFVLI-SFHVURJKSA-N 412.283 4.901 0 40 HJAB Cc1cc(NC(=S)NC(=O)/C=C/c2ccco2)cc(-c2nc3ccccc3o2)c1O 17091816 CSZPSJMDLDADTN-CMDGGOBGSA-N 419.462 4.628 0 40 HJAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc(Br)c1 17092571 XLOATHJAHNOXDU-UHFFFAOYSA-N 421.250 4.502 0 40 HJAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)n[nH]c3C)cc2)cc1 17093226 MSPZLVOMFKDXOI-UHFFFAOYSA-N 422.554 4.533 0 40 HJAB CCCCCc1c(O)nc(SCCN(CCC)CCC)n(-c2ccccc2)c1=O 17145544 OOKMYMZUJVULDS-UHFFFAOYSA-N 417.619 4.885 0 40 HJAB CCOc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1 18209653 LZWNHSISNSUVEN-WMLDXEAASA-N 420.391 4.787 0 40 HJAB CC(=O)NC1(c2ccccc2F)CCN(Cc2ccccc2OC2CCCC2)CC1 19021138 RKLKLXNLGKLRLR-UHFFFAOYSA-N 410.533 4.775 0 40 HJAB CCn1cc([C@H](NC(=O)c2ccccc2OC)c2ccc(F)cc2)c2ccncc21 19524842 FZDMKEAUOSLPTN-HSZRJFAPSA-N 403.457 4.723 0 40 HJAB COc1ccc(CN2C[C@@H](c3cc(C(F)F)[nH]n3)[C@H](c3ccccc3)C2)c(OC)c1 19552508 AEKOGIUFGYHPBF-RBUKOAKNSA-N 413.468 4.748 0 40 HJAB Cc1cc(OCC(=O)N2CCC[C@H](c3cc4ncccc4cn3)C2)cc(C)c1Cl 19569920 BLJIVRDSWRSRKH-SFHVURJKSA-N 409.917 4.685 0 40 HJAB CC(=O)Nc1ccc(Oc2cc(C)nc([C@H]3CCCN(C(=O)C4CCC4)C3)c2)cc1 19570107 DCACIIOCWMRHGM-IBGZPJMESA-N 407.514 4.647 0 40 HJAB CCc1ccc(-n2nc3ccc(NC(=O)COc4cccc(C)c4C)cc3n2)cc1 20610199 CLAKGRCFDNAULO-UHFFFAOYSA-N 400.482 4.617 0 40 HJAB COc1cc(C(C)=O)ccc1OC(=O)c1cc(-c2cccs2)nc2onc(C)c12 22241382 ZJAQHPRHUQTVDT-UHFFFAOYSA-N 408.435 4.690 0 40 HJAB Cc1ccc(NC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)c(Cl)c1 23126343 QZRFNYWDSNEQQY-UHFFFAOYSA-N 409.898 4.726 0 40 HJAB Cc1ccc(C(NC(=O)N2CCN(Cc3ccccc3)CC2)=C(Cl)Cl)cc1F 25514697 UMBJZWXQEORHIG-UHFFFAOYSA-N 422.331 4.765 0 40 HJAB CC(=O)Nc1ccc(/C=C/C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 25903184 JAZUIENTLMYCPR-XJCKULRNSA-N 402.519 4.894 0 40 HJAB CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 26531310 QCGOXFFEDKYDTO-UHFFFAOYSA-N 419.978 4.759 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3OC(C)C)c2)c1 32287981 XGHDKBGCMWBAOL-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(-n2cnnc2)c1 32646821 KRWNIJQDUNVWSB-CQSZACIVSA-N 418.419 4.817 0 40 HJAB Cc1ccc(Nc2ccccc2NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 32754908 FMRADDJWEUMSJS-UHFFFAOYSA-N 406.463 4.646 0 40 HJAB COc1ccc2c(CC(=O)Nc3nc(-c4ccc5c(c4)CCO5)cs3)coc2c1 32869005 WEHQQGDYZOTNSG-UHFFFAOYSA-N 406.463 4.681 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSCc1cc(=O)c2c(C)ccc(C)c2[nH]1 33064134 PEXFAAZCPUCMKF-UHFFFAOYSA-N 400.931 4.979 0 40 HJAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)c(Cl)c2)c(OC)c1 36360578 JCLMOOKHOIKEMV-AWEZNQCLSA-N 401.825 4.806 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 40073457 RUKZEIVMOBTNFK-KRWDZBQOSA-N 407.297 4.554 0 40 HJAB COc1ccc(NC(=O)c2cc(C)nc3c2nc2n3CCCCC2)c(C(F)(F)F)c1 46154198 OXAOXPOEUHZINZ-UHFFFAOYSA-N 418.419 4.746 0 40 HJAB COc1cccc(CN(C)[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)c1 58279475 DOAKTEUGRXTKCL-GOSISDBHSA-N 421.566 4.842 0 40 HJAB COc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1OC(F)F 58441078 BHVMJUQFGWUIFR-UHFFFAOYSA-N 415.352 4.654 0 40 HJAB Cc1cc2nc3s/c(=C\c4cccn4-c4ccc(Cl)cc4)c(=O)n3c2cc1C 59303083 DFKLXTOYBJNBKA-NDENLUEZSA-N 405.910 4.518 0 40 HJAB CCN(C(=O)CN1C(=O)C(c2ccc(C)cc2)=NC12CCCCC2)c1cccc(C)c1 71768989 ZTAOOHNJOZXPOI-UHFFFAOYSA-N 417.553 4.648 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N(C(C)C)C(C)C)nc2)cc1 72212994 WEZFIAKFOHTVGL-JOCHJYFZSA-N 415.603 4.929 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H](c3cccc(Cc4cccc(C)c4)n3)C2)cc1 72349571 CZMFOZZFJJNTSH-QHCPKHFHSA-N 414.549 4.938 0 40 HJAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1cc(-c2ccco2)on1 72396978 ONNYPFMUMNTMMX-KRWDZBQOSA-N 422.872 4.640 0 40 HJAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NC(=O)c2ccccc2Br)C1 77200111 ZGVVDUXXCAPFLP-JKSUJKDBSA-N 417.303 4.739 0 40 HJAB Cc1cc(Sc2ncccn2)ccc1NC(=O)/C=C/c1c(Cl)nc2ccccn12 89589043 ZOYBLMSXHSAWLJ-CMDGGOBGSA-N 421.913 4.889 0 40 HJAB Cc1nc2ccc(NC(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)cc2o1 95373488 MYYKBHIELWRERB-SFHVURJKSA-N 416.275 4.504 0 40 HJAB CCc1ccc(S(=O)(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)cc1 101095642 KIDNRDFXPHYSFZ-UHFFFAOYSA-N 412.511 4.511 0 40 HJAB COc1ccc([C@H]2CC3=NC(=O)C[C@@H](C(=O)Nc4ccc(Cl)cc4)C3=C(O)C2)cc1 102659568 NSWIYRJHAPRBRX-KBXCAEBGSA-N 424.884 4.664 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918397 CPDBALYNZRPEBV-XPRHLORGSA-N 416.631 4.855 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)cc1 222676485 QRFDOFVBWZAYFQ-LJQANCHMSA-N 412.599 4.728 0 40 HJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)OC)o1 222902862 BHUCNWFXJOFYPN-LEWJYISDSA-N 421.522 4.511 0 40 HJAB CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCC 223199887 VHRSXXGBUIPPJE-QHCPKHFHSA-N 412.549 4.872 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 223212596 SPDVKGOEDHEEJB-JOCHJYFZSA-N 424.585 4.713 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 223717955 OFSYUFRAGSFCBJ-NRFANRHFSA-N 414.977 4.647 0 40 HJAB Cc1ccc(CN(C(=O)COc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224756521 UOYZXGWVDAZWJZ-NRFANRHFSA-N 422.569 4.548 0 40 HJAB COc1cccc(-c2cnc(CCC(=O)Nc3cc(OC)c(Cl)cc3OC)o2)c1 224850894 BBHAAPDNRYQFPI-UHFFFAOYSA-N 416.861 4.592 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 225585075 HYZSTFPQZZGDFW-PGRDOPGGSA-N 414.977 4.913 0 40 HJAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OCC)c(OC)c4)OCC[C@@]31C2 257215065 CONDHBWLWXGTCU-FYFGABSMSA-N 415.574 4.893 0 40 HJAB CCCCc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)[nH]n1 257241375 HXVHLPHHKWMUMR-HXUWFJFHSA-N 412.921 4.962 0 40 HJAB COc1ccc(C(=O)CSc2nnc(COc3cccc4ccccc34)n2C)cc1 408595143 KRDPEPDWSAYCBU-UHFFFAOYSA-N 419.506 4.531 0 40 HJAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 408628007 PIFCTFMDIHVHOO-UHFFFAOYSA-N 402.825 4.884 0 40 HJAB Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccccc3)nn2-c2ccc(C)cc2)cc1 408699888 ZYONWIRHZZHHRU-UHFFFAOYSA-N 411.461 4.591 0 40 HJAB COc1cc(C(=S)N2CCCCC2)ccc1OCCOc1ccccc1Cl 409195887 RSNRZSXXWPLYAW-UHFFFAOYSA-N 405.947 4.968 0 40 HJAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OC(C)C)C2=O)cc1 409338612 MXUCPGUYQGMBEN-MOSHPQCFSA-N 424.522 4.711 0 40 HJAB O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1ccccc1F 409386450 LQNZJOFZMXPEFJ-UHFFFAOYSA-N 420.469 4.510 0 40 HJAB O=c1oc2ccccc2c(O)c1-c1c(-c2ccc(O)cc2)nc2ccc(Cl)cn12 524729402 SARXBCUQLKEXKJ-UHFFFAOYSA-N 404.809 4.839 0 40 HJAB biogenic Cc1[nH]nc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1-c1ccccc1 552022642 KLGRBXOJDDXKDY-UHFFFAOYSA-N 415.824 4.858 0 40 HJAB CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccc4)n12)CCCC3 794120 MQGLWERVLDPMKZ-UHFFFAOYSA-N 423.567 4.511 0 40 HJAB COc1ccccc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1299519 PRXBNNCCEREUKV-UHFFFAOYSA-N 406.869 4.805 0 40 HJAB CCOc1ccc(N(C2=NCCCS2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 1327918 DYJCDPSMQOCAIC-UHFFFAOYSA-N 418.584 4.699 0 40 HJAB CC(C)C[C@@H](C(=O)Oc1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 1807862 HMYVXVFXFIAZCB-QHCPKHFHSA-N 413.473 4.970 0 40 HJAB COc1ccccc1CNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O 2094185 ASQXLGGZULHKFN-UHFFFAOYSA-N 419.477 4.722 0 40 HJAB biogenic CCCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1 2750553 NLVLWHAOTJTPLC-UHFFFAOYSA-N 400.544 4.937 0 40 HJAB CN(C(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 3317296 MXIOMBCQRAWIIF-UHFFFAOYSA-N 409.869 4.739 0 40 HJAB O=C1N/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1Cc1ccccc1 4675498 ANTYWQDNYWIKRS-HZHRSRAPSA-N 407.473 4.783 0 40 HJAB COc1cccc(CNC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c1 4743770 ZKUVXOIKVPGLPU-UHFFFAOYSA-N 419.477 4.722 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)C(C)C)c3ncnn32)cc1 4816784 HJZYYPSHSVKLCO-VQTJNVASSA-N 410.905 4.664 0 40 HJAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)NCc1ccc2c(c1)OCO2 4849473 KMMHKHDLJXGGDH-UHFFFAOYSA-N 408.523 4.551 0 40 HJAB CCc1ccc(-c2nc(SCC(=O)NCCCOC)c(-c3ccccc3)[nH]2)cc1 4927829 QEBGIMOXPRBJTF-UHFFFAOYSA-N 409.555 4.551 0 40 HJAB COc1ccc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)cc1 5442495 VQQZFGRORYUERL-FQEVSTJZSA-N 410.857 4.698 0 40 HJAB Cc1ccc2nc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)sc2c1 5959544 HBAVRABKLQVKSS-UHFFFAOYSA-N 411.552 4.572 0 40 HJAB Cc1cc(=O)n2c(n1)NC(Nc1ccc(C(C)C)cc1)=N[C@@H]2c1cccc(Cl)c1 7495799 IQMIGUGESYJZJU-FQEVSTJZSA-N 407.905 4.769 0 40 HJAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc(N2CCCCC2)cc1 7902530 YCXGXWCCQSLTJQ-HNNXBMFYSA-N 411.575 4.600 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)c1cn(Cc2ccccc2)nc1-c1cccs1 7912766 YTNNAYLJELOSKO-UHFFFAOYSA-N 403.463 4.641 0 40 HJAB C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)c1ccccc1 8191551 ADEYIFVRUGWELT-QGZVFWFLSA-N 400.507 4.752 0 40 HJAB CCOc1cccc(-c2nn3c(CSc4ccccc4)nnc3s2)c1OCC 8393298 XVXUNZBGROBMCD-UHFFFAOYSA-N 412.540 4.943 0 40 HJAB COC(=O)c1ccc2nc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)sc2c1 8904221 QTZVCXKXBYELRN-UHFFFAOYSA-N 411.266 4.651 0 40 HJAB Cc1n[nH]c(O)c1[C@H](c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(O)n[nH]c1C 8934947 ZWYMDMQKRAQNCD-UHFFFAOYSA-N 418.375 4.620 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10315232 NAMXVWUJRULTAH-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(CN2CCCCC2)cc1 10691419 HHOVBBNPFCKDMP-UHFFFAOYSA-N 419.569 4.941 0 40 HJAB COc1ccc(C(=O)c2c(N)c(C(=O)Nc3cc(C)ccc3C)c3ccccn23)cc1 12342023 GHXPHURIDIHIJC-UHFFFAOYSA-N 413.477 4.630 0 40 HJAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccccc1N1CCCC1 12563437 LZAYMZPVJLODKS-HSZRJFAPSA-N 423.607 4.996 0 40 HJAB COc1ccccc1[C@@H](NC(=O)c1oc2c(Cl)cccc2c1C)c1nccn1C 12602008 DDVRQBNNWJHXDD-GOSISDBHSA-N 409.873 4.656 0 40 HJAB COc1ccc(C)cc1CN(C)[C@@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12739413 GHYRWDGHHBDJPX-AWEZNQCLSA-N 409.511 4.755 0 40 HJAB COc1cc(C)c(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1OC 12782291 SOWGUZAAHKJBOX-UHFFFAOYSA-N 423.366 4.608 0 40 HJAB Cc1ccc(Sc2ccc(NC(=O)Cn3ncc4ccccc4c3=O)cc2)cc1C 12986686 HNAAYRNOSSPPIS-UHFFFAOYSA-N 415.518 4.803 0 40 HJAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Br)c(C)c2)no1 13012766 VQCDMEUYCPNPAH-UHFFFAOYSA-N 418.316 4.994 0 40 HJAB CN(Cc1csc(-c2ccc(Cl)cc2)n1)Cc1ccccc1N1CCOCC1 16424794 XTFMVDCLJHJZGM-UHFFFAOYSA-N 413.974 4.932 0 40 HJAB CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(C)c4OC)cc3n2)cc1 16692079 VDSSKAUVZWANLA-UHFFFAOYSA-N 416.481 4.697 0 40 HJAB CCOC(=O)CCn1nc(-c2ccc(OC)cc2)c(Cl)c1-c1ccc(OC)cc1 17090152 MRAFPIPYUGYIHW-UHFFFAOYSA-N 414.889 4.841 0 40 HJAB COc1cc(/C=C/C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)ccc1OC(F)F 17371028 MEDMJJXMBRGRIP-DYLHUKMJSA-N 423.481 4.579 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(C[C@H]2CC=CCC2)C1)c1cccc(F)c1 19400475 QOWLDWRIHCBQLS-ZCVJKFOLSA-N 407.533 4.760 0 40 HJAB Cc1cc(-c2ccc(N)nc2)cc(C2CCN(Cc3ccnc4ccccc34)CC2)n1 19692188 IQWBIJYGCFGIPW-UHFFFAOYSA-N 409.537 4.962 0 40 HJAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)C2CCCCC2)cc1 19694399 LGACRTZSUQKSRY-QFIPXVFZSA-N 422.573 4.852 0 40 HJAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1cccc(Br)c1 20029964 JXCBBZVCAAIVCM-LLVKDONJSA-N 418.740 4.541 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1OCC 20456327 ZVPQSGJNTGLHDX-CVEARBPZSA-N 403.544 4.851 0 40 HJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 20459561 SGYMEPOFCIBPAR-MLYOZINFSA-N 414.549 4.855 0 40 HJAB O=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 20523404 BCYNAEGDYJFJSR-UHFFFAOYSA-N 417.943 4.950 0 40 HJAB CCCn1c(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)nc2ccccc21 21597874 UVKXCUSASSAIDP-UHFFFAOYSA-N 420.900 4.562 0 40 HJAB O[C@]1(c2ccc(Cl)cc2)CN(c2ccc(Br)cc2)C2=[N+]1CCCCC2 22408044 XQDBIZRRKGEYQS-FQEVSTJZSA-N 420.758 4.753 0 40 HJAB CCOc1ccc(Oc2ccccc2NCC(=O)Nc2ccc3c(c2)OCCO3)cc1 24760735 OCHVHEOCGMQGOF-UHFFFAOYSA-N 420.465 4.699 0 40 HJAB CCCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCCC2)cc1 27663581 BNYFLSZAFFVKND-DEOSSOPVSA-N 410.558 4.831 0 40 HJAB biogenic COc1ccc([C@H](CNC(=O)c2ccccc2OC)c2c[nH]c3ccccc23)cc1 27744536 GYFKQMXNPMQSTD-NRFANRHFSA-N 400.478 4.747 0 40 HJAB Cc1ccc(Oc2ccccc2NC(=O)C[C@@H](NC(N)=O)c2ccccc2C)cc1 29978898 QYZWNUCNQXXBLC-OAQYLSRUSA-N 403.482 4.834 0 40 HJAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Cl 30756705 DMEPJDMYXXFKND-UHFFFAOYSA-N 416.886 4.756 0 40 HJAB CCCCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccc(C)c(C)c2)c2ccccc21 32088335 UMISJKWKLXVLST-RUZDIDTESA-N 414.509 4.914 0 40 HJAB CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1csc(Br)c1 32913420 ULPILVNFWFWFFS-UHFFFAOYSA-N 407.255 4.600 0 40 HJAB CC(C)n1c(SCC[S@](=O)c2ccccc2)nc2cc(Cl)ccc2c1=O 32933447 NGRAYLYUKWQMSV-AREMUKBSSA-N 406.960 4.531 0 40 HJAB CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 33088311 YFTIEQFYHNSFQO-UHFFFAOYSA-N 410.905 4.537 0 40 HJAB O=C(COc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)Nc1ccc(F)cc1 33327328 YEUOJEYQVRJGGB-UHFFFAOYSA-N 407.376 4.699 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)CO[C@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 35083549 WWJTXTCUTDBECO-ZZSVKSCCSA-N 423.041 4.609 0 40 HJAB CC1C[C@@H](C)N(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)[C@H](C)C1 35827649 ZKWJNGGHUBLVSR-WBOJAVRRSA-N 410.440 4.786 0 40 HJAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 45890482 GFZLTBRPXMGRHO-UHFFFAOYSA-N 404.923 4.648 0 40 HJAB CC(C)(C)C[C@@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1 49387829 VQILGKFOYDBSBP-LJQANCHMSA-N 400.494 4.565 0 40 HJAB Cc1nc(-c2cccc(NC(=O)C3CCN(c4ccc(Cl)cn4)CC3)c2)oc1C 54113300 XTQUAFBGABBAJS-UHFFFAOYSA-N 410.905 4.862 0 40 HJAB Brc1ccc(C2(NCCCc3nc(-c4cccs4)no3)CC2)cc1 58198293 AANKDPNXYLQNDB-UHFFFAOYSA-N 404.333 4.772 0 40 HJAB CSc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)cc1 67299340 XLHQKPBASLEYTC-GYHWCHFESA-N 406.463 4.616 0 40 HJAB O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349455 ORDUOAMFCVANQW-FQEVSTJZSA-N 405.929 4.670 0 40 HJAB CCn1cc(CN2CCC[C@@H](c3cc(Cc4ccccc4OC)cc(C)n3)C2)c(C)n1 72354107 CKMKWQJKWPNWBJ-HSZRJFAPSA-N 418.585 4.894 0 40 HJAB O=C(Nc1nccs1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 72400547 XZUGJAFDARSBSV-IBGZPJMESA-N 409.555 4.967 0 40 HJAB CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 79019576 SZAGJPAWEFMOIP-FQEVSTJZSA-N 423.479 4.822 0 40 HJAB CC(C)c1nnc(CCC(=O)N(c2ccccc2)c2ncccc2Br)o1 89893801 RWTRPQIHPFSWML-UHFFFAOYSA-N 415.291 4.648 0 40 HJAB COc1ccc2[nH]cc(CCNC(=O)[C@H](C)c3ccc(C[C@@H]4CCCC4=O)cc3)c2c1 96114677 XATWXFCYPQTKPK-XLIONFOSSA-N 418.537 4.551 0 40 HJAB biogenic CCOC(=O)CCCCCCSc1nc2cc(C(=O)NC3CC3)ccc2s1 96191789 VAQGJAWWIWMICZ-UHFFFAOYSA-N 406.573 4.794 0 40 HJAB Cc1ccc(F)cc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 98073033 PRXNEEVEBGQSJL-UHFFFAOYSA-N 412.202 4.716 0 40 HJAB CN1[C@H]2CC[C@H]1CC(N(CCc1c[nH]c3ccccc13)C(=O)c1ccc(F)cc1)C2 100564415 GMBUNTAZLAYQLS-SFTDATJTSA-N 405.517 4.617 0 40 HJAB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 100822505 LUVGDQLCCMZRFO-SXMJFFMQSA-N 404.869 4.610 0 40 HJAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 113936781 UDUCVWZGWDDCOA-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)cc1 223070982 ALDCGEHWTRHAQF-ROUUACIJSA-N 400.950 4.523 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2ccc(Cl)cc2)cc1 223729468 ZSQSQJUGVCRBBV-JWGURIENSA-N 422.912 4.761 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 224201577 GUTPPVHAFRNHPJ-DEOSSOPVSA-N 406.570 4.794 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 224437894 JUTKTXRIXGLGQJ-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB COc1cccc(-c2cnc(CCC(=O)NCc3ccc(Cl)cc3Cl)o2)c1 224843387 DKKYUROJCFDBSU-UHFFFAOYSA-N 405.281 4.906 0 40 HJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225070826 LIKDEMDAAJSRHH-INIZCTEOSA-N 421.368 4.522 0 40 HJAB O=C(CCc1c(Cl)cccc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1 225364054 UXMAZDNLKCNTEM-UHFFFAOYSA-N 410.688 4.946 0 40 HJAB S=C(NCCCSCc1ccccc1Cl)Nc1ccc2c(c1)OCCO2 225606934 VRUNXINRGQXUHZ-UHFFFAOYSA-N 408.976 4.721 0 40 HJAB Cc1cccc(-c2noc(CNC(=S)Nc3ccc(Br)c(C)c3)n2)c1 225814708 VLALKZFUWLCEOX-UHFFFAOYSA-N 417.332 4.603 0 40 HJAB Cc1cccc(C(=O)NC(=S)Nc2cc(Cl)ccc2-c2ccc(C(=O)O)o2)c1 226355062 ZUMSIEIAQBKEFC-UHFFFAOYSA-N 414.870 4.733 0 40 HJAB CC(C)(C(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@](C)(O)C1)c1ccc(Cl)cc1 257316876 VHJOTZFXURFESW-UGKGYDQZSA-N 422.352 4.702 0 40 HJAB C=Cc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 381030407 ZPFOMEUZJASIGX-XMMPIXPASA-N 413.473 4.864 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1 408647816 XOBRAGQPAUEBAK-MRXNPFEDSA-N 415.331 4.620 0 40 HJAB COc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)cc(Cl)c1O 408815702 UBABKFKFTSQHMG-UHFFFAOYSA-N 410.302 4.779 0 40 HJAB C[C@@H]1CCC[C@@H]2C1=NN(C(=O)c1ccc(-c3ccccc3)cc1)[C@]2(O)C(F)(F)F 409184897 YRWRVIXKEKPKLW-CFCCAZDESA-N 402.416 4.853 0 40 HJAB Cc1noc(C)c1CN1C(=O)CC[C@@]12CCCN(Cc1ccc(C(C)C)cc1)CC2 585099799 BFDZBABCENNJJE-RUZDIDTESA-N 409.574 4.962 0 40 HJAB COCC(=O)N1CCCCCCCCN(C(=O)C2CCCCC2)Cc2ccccc21 643587826 PBBVEOYEDLOGTC-UHFFFAOYSA-N 414.590 4.929 0 40 HJAB O=C(CSc1nc(-c2cccc(Br)c2)n[nH]1)Nc1cccc(Cl)c1 852478 XKHVIPRODLEFNS-UHFFFAOYSA-N 423.723 4.618 0 40 HJAB COc1cc(C(=S)N2CCCCC2)cc(OC)c1OC(=O)c1ccccc1Cl 866274 LCMOGOCRZLTIEN-UHFFFAOYSA-N 419.930 4.738 0 40 HJAB O=C1C2=C(C(c3ccccc3)=NCCN2)[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 1409515 LVPYGTYIVPHRTJ-XMMPIXPASA-N 413.908 4.775 0 40 HJAB Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1 2247189 SBXYGTTZCWHMPV-DHIUTWEWSA-N 414.415 4.769 0 40 HJAB COC(=O)CSc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CCC3 2430966 MKCKXKBVYIFGPL-UHFFFAOYSA-N 419.597 4.839 0 40 HJAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=S)NC(=O)c1cccs1 3296324 LCLLCQGOJPFKEK-UHFFFAOYSA-N 420.537 4.682 0 40 HJAB Cc1ccccc1CSCC(=O)Nc1ccc(I)cc1C 3380471 KGCROHPZCATYPF-UHFFFAOYSA-N 411.308 4.780 0 40 HJAB O=C(Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2)c1ccccc1F 4723329 NSNHVCQVPZQASW-UHFFFAOYSA-N 411.816 4.734 0 40 HJAB C[C@H](NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1)c1ccccc1 5176091 BVTBKDBXPZZMBZ-LBPRGKRZSA-N 405.545 4.772 0 40 HJAB CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(OC(F)F)cc3)=NN12 5478241 HGMRSGZLEOMAPD-FQEVSTJZSA-N 413.468 4.644 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 6249069 CXKPQGGOABYIJX-OAHLLOKOSA-N 403.320 4.845 0 40 HJAB O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1ccc(Cl)cc1F 6886334 PRZKHKXBAHXWPB-UHFFFAOYSA-N 403.862 4.906 0 40 HJAB O=C(CSc1nnc2n1CCCCC2)N(Cc1ccc(F)cc1)C1CCCCC1 7280729 ODURSCRVIYAMAQ-UHFFFAOYSA-N 416.566 4.597 0 40 HJAB CCn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 8339962 URKMBOJRDDFFQC-UHFFFAOYSA-N 412.708 4.844 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1F)c1ccc(Cl)cc1 8810040 HWNWWJLMBNCBIM-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB COc1ccc(C(=O)Nc2nnc(SCCCc3ccccc3)s2)c(OC)c1 9095403 KSGYJPBNGPESQJ-UHFFFAOYSA-N 415.540 4.533 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)Nc1ccccc1F 9243004 XRHVLLSOUIIHAN-UHFFFAOYSA-N 422.460 4.943 0 40 HJAB Cc1nc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)nn1-c1ccc(Cl)cc1 9337465 JQEYAAYDTNVEAR-KRWDZBQOSA-N 423.929 4.816 0 40 HJAB COc1ccc2c(C(F)(F)F)cc(SCC(=O)NCc3cccc(C)c3)nc2c1 9833287 MFTRLAKAWQIPOR-UHFFFAOYSA-N 420.456 4.979 0 40 HJAB CC[C@@H](C)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)c(N)cc2OC)cc1 11458275 WOAPZPMRQAXNGW-OLZOCXBDSA-N 404.894 4.628 0 40 HJAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1ccccc1Cl 11649633 WVCNWEGGAAQXSY-UHFFFAOYSA-N 424.884 4.791 0 40 HJAB CSCC[C@H](NC(=O)c1ccc(Br)cc1)c1nc2ccccc2[nH]1 12602667 YWMUJPSEEODPPI-INIZCTEOSA-N 404.333 4.550 0 40 HJAB C/C=C/c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc(OC)c1OC 12784279 VGBYMANHHFJEEN-WWPOYFSUSA-N 423.509 4.876 0 40 HJAB CCCn1c(C)cc(C(=O)Cn2nc(-c3cccs3)c3ccccc3c2=O)c1C 12805643 JZLQELHIQFIBHJ-UHFFFAOYSA-N 405.523 4.836 0 40 HJAB COC(=O)Nc1ccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cc1 12984762 TZLKUHCONHVGTG-UHFFFAOYSA-N 419.268 4.669 0 40 HJAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccccc1Sc1ccccc1 13015452 BYSHEMXOZAZCBK-UHFFFAOYSA-N 421.909 4.840 0 40 HJAB CCOC(=O)c1cccc(NC(=O)CSCc2ccc(Br)cc2)c1C 13674689 MFOMJCWLXCSHBY-UHFFFAOYSA-N 422.344 4.806 0 40 HJAB CCOc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)cc1 17307632 ASOLMHOAHGLCQD-UHFFFAOYSA-N 424.551 4.946 0 40 HJAB Cc1ccc2scc(CC(=O)N3CCC[C@H]3c3nnc(-c4ccccn4)o3)c2c1 19220630 XQNLGNUBVLTRMQ-SFHVURJKSA-N 404.495 4.561 0 40 HJAB CCc1cc(C(F)(F)F)c2c([C@H]3CCCN(Cc4cccc(C)n4)C3)noc2n1 19522018 XUTPVSYHSFFMKW-AWEZNQCLSA-N 404.436 4.887 0 40 HJAB COc1ccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(Cc4cccs4)C[C@H]23)cc1 19557780 OSHXPIQEQUMUGV-WXFUMESZSA-N 424.610 4.763 0 40 HJAB CCc1nc2ccccc2n1[C@H](C)C(=O)Nc1ccc(-n2nc(C)cc2C)c(OC)c1 19666268 HJKOGCYPRLBGIW-QGZVFWFLSA-N 417.513 4.610 0 40 HJAB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(Br)cc2)cc1 20109025 QUGMUSPOIDFLLG-IBGZPJMESA-N 406.320 4.740 0 40 HJAB O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2CN(Cc2cnc3ccccc3c2)C1 20503551 UNJPHXSXSWRKKF-NZQKXSOJSA-N 407.517 4.683 0 40 HJAB biogenic,in-vitro CCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2s1 21595901 NNPRORDVRBDOQS-UHFFFAOYSA-N 411.527 4.960 0 40 HJAB Cc1ccc(NC(=O)CCc2nc(CSc3nc4ccccc4o3)no2)cc1C 21721800 LKSMXPMPRZUJKB-UHFFFAOYSA-N 408.483 4.691 0 40 HJAB S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(OCc2ccc(Cl)cc2)cc1 22110564 OABLDBWJIQJDEK-UHFFFAOYSA-N 423.929 4.979 0 40 HJAB COc1cc(CN(C)C(=O)[C@H]2Cc3ccccc3S2)ccc1OCc1ccccc1 25281394 CRCOJIALECPBCV-XMMPIXPASA-N 419.546 4.950 0 40 HJAB COc1ccccc1-c1cc(COC(=O)c2ccc(-n3nc(C)cc3C)cc2)on1 26230510 DJUKXJJRXMSVIF-UHFFFAOYSA-N 403.438 4.510 0 40 HJAB COCCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nc2ccccc21 29280761 UNJFYUPOKOGPDB-UHFFFAOYSA-N 400.891 4.678 0 40 HJAB COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 30946497 JXPWQSFKKMQKBB-UHFFFAOYSA-N 421.324 4.631 0 40 HJAB Cc1cccc2c1NC(=O)[C@]21CC(O)=Nc2c1sc(C(=O)O)c2-c1ccccc1 32072705 ZSMGCNAQGVYISU-JOCHJYFZSA-N 404.447 4.652 0 40 HJAB C[C@@H](Nc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12)c1nncn1C 32934483 YHMWPYJTMIXXPV-CQSZACIVSA-N 413.510 4.722 0 40 HJAB CCc1ccc(NC(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 33326030 HEOXPTOQWMIQJC-IBGZPJMESA-N 407.539 4.941 0 40 HJAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)cn2)cc1C 40122700 MTJHFQIKVBYCQQ-SFHVURJKSA-N 419.481 4.575 0 40 HJAB Cc1ccc(-n2cnc3nc(N4c5ccccc5C[C@@H]4C)[nH]c(=O)c3c2=S)c(C)c1 40385791 ZOCYXBYNCNRCIM-HNNXBMFYSA-N 415.522 4.538 0 40 HJAB CC1=C(C)SC(=c2sc3n(c2=O)[C@@H](c2ccccc2)C2=C(CCCC2)N=3)S1 51329945 YAVDCNIYOZSTCH-KRWDZBQOSA-N 412.605 4.758 0 40 HJAB CC(C)c1ccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1 57317257 GPBNAOKMCQYQOT-UHFFFAOYSA-N 414.830 4.982 0 40 HJAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)NC3CCCCC3)o2)c1 59179711 LJWAFYHEKPRMNM-UHFFFAOYSA-N 403.548 4.621 0 40 HJAB Clc1ccc(C2(c3nnc(-c4cc(-c5ccccc5)n[nH]4)o3)CCOCC2)cc1 71889829 HDXDFROTFWNPAJ-UHFFFAOYSA-N 406.873 4.877 0 40 HJAB CCOc1ccccc1OCc1nn2c(C34CC5CC(CC(C5)C3)C4)nnc2s1 80346199 CDPSDHBXHFWMJU-UHFFFAOYSA-N 410.543 4.631 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)c1 95444882 HWOBHVHNYKOURE-DHIUTWEWSA-N 412.530 4.871 0 40 HJAB O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(O)=N2)c1ccccc1-c1ccccc1 95478611 KUMOOELXKAERAQ-QFIPXVFZSA-N 411.461 4.812 0 40 HJAB O=C(CCc1nc(CSc2nc3ccccc3o2)no1)Nc1cccc(Cl)c1 95481917 QRDOEMVJKMIEHW-UHFFFAOYSA-N 414.874 4.728 0 40 HJAB Cc1ccccc1-c1nc(C)c(CNC(=O)c2cncc(Br)c2)s1 96024528 KORWAHAGJWMBNV-UHFFFAOYSA-N 402.317 4.514 0 40 HJAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3ccncc3)CC2)n1 100739089 ZUSXMFISLVAUOP-PUZFROQSSA-N 415.541 4.761 0 40 HJAB COc1ccc(C2(O)C[C@@H]3CC[C@@H](C2)N3Cc2ccc(OC(C)C)c(OC)c2)cc1 100765539 GOZPOKXFWDLVIB-SFTDATJTSA-N 411.542 4.506 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc(Cl)c1O 106764125 PKZQPFIGOOULEM-ATVHPVEESA-N 419.886 4.560 0 40 HJAB CCn1c(SCC(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)nnc1-c1ccccc1C 195532253 XSUDHFAGEGLPRW-JTUHZDRVSA-N 412.603 4.697 0 40 HJAB CCCCc1ccc(NC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 222645083 SICAROFTOZYIGB-UHFFFAOYSA-N 416.587 4.777 0 40 HJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 223746663 URTXZLYEVWBDSZ-GAJHUEQPSA-N 408.542 4.890 0 40 HJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)c1 224224561 NJUTXZPMHYFONH-DHIUTWEWSA-N 411.534 4.753 0 40 HJAB CCCC[C@@H](CC)CNC(=O)CCCN(c1cccc2ccccc12)S(C)(=O)=O 224682561 ASUPOXGRHNRCDT-LJQANCHMSA-N 418.603 4.719 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c(C)c1 225055487 GPTIOQQRBKMUPR-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 225074999 SLVBBIJHIRCYEL-ROUUACIJSA-N 400.950 4.523 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 225114214 LWWKGBDPPYARNH-ZWKOTPCHSA-N 400.950 4.523 0 40 HJAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1ccc(Cl)c(C(F)(F)F)c1 225723287 RKQOFEYEXQMBTM-UHFFFAOYSA-N 415.198 4.966 0 40 HJAB Cc1ccc(SCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 225872648 HKGXOFMMCJXUFS-JWGURIENSA-N 420.534 4.576 0 40 HJAB Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1N1CCC(C)CC1 226330436 UUBDTYCHPGFNNK-UHFFFAOYSA-N 402.336 4.828 0 40 HJAB O=C(N1CCC[C@@H](Cc2cccc3cccnc23)C1)C1(c2ccccc2)CCOCC1 257335399 YJZGIGDFXOBEQY-NRFANRHFSA-N 414.549 4.764 0 40 HJAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(F)c2)C1 257342686 ZPSKYVFLRNDOGM-VWPQPMDRSA-N 405.897 4.983 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1/C=C/[N+](=O)[O-] 408529827 DGGMKLIZKBAEHH-YELSXNLMSA-N 408.635 4.969 0 40 HJAB COc1ccc(C)cc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 408543878 FRUZNWMYKBHVAN-HSZRJFAPSA-N 422.506 4.623 0 40 HJAB Cc1ccc([C@@H](CCC(=O)O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 408607372 LIRSQDSZEUTEMX-XMMPIXPASA-N 416.521 4.512 0 40 HJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)CCCc3ccccc3)[C@](O)(C(F)(F)F)[C@H]2C1 409108631 XUPYUGIJLWHZTA-LLGFUMIMSA-N 410.480 4.921 0 40 HJAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(c1ccccc1)c1ccccc1 506926651 NGMHNMDCFBAUFU-UHFFFAOYSA-N 415.537 4.738 0 40 HJAB COc1ccc(COCCCNC(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 574314952 PMZJOTLPNUEFNR-UHFFFAOYSA-N 407.470 4.611 0 40 HJAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCc1ccc(-c2ccsc2)s1 575413976 AJNSIGJYCMECDI-UHFFFAOYSA-N 404.944 4.736 0 40 HJAB Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@@H]1Cc2ccccc21 615891001 BUBSKWMKAVNADJ-INIZCTEOSA-N 414.336 4.795 0 40 HJAB Oc1cccc(CN[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1Cl 1662536455 MNKHQJVDYIFRQX-AVRDEDQJSA-N 413.876 4.726 0 40 HJAB CCC(=O)Nc1nnc(SCc2ccc(C(=O)Nc3ccc(C)cc3)cc2)s1 624786 ZLKCQPOVXYODFE-UHFFFAOYSA-N 412.540 4.740 0 40 HJAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCCO4)c(C)oc2cc1OC(=O)N(C)C 1322646 FYHHQGSFUSEEFV-UHFFFAOYSA-N 423.465 4.553 0 40 HJAB biogenic COc1cc(OC)cc(-c2nnc(N(CC(C)C)C(=O)Cc3cccs3)s2)c1 1356611 RIQSAULJORAJHG-UHFFFAOYSA-N 417.556 4.516 0 40 HJAB Cc1ccccc1CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1ccco1 1359508 VFFSWSPYDFWQLW-UHFFFAOYSA-N 414.505 4.931 0 40 HJAB COC(=O)c1ccccc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 1392132 QFGYMMFVFQNPJW-UHFFFAOYSA-N 418.927 4.981 0 40 HJAB O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)Cc1ccccc1-2 1428327 VEORAEWIJGXRBH-UHFFFAOYSA-N 400.297 4.821 0 40 HJAB c1ccc(C(c2ccccc2)=c2nnc(=C(c3ccccc3)c3ccccc3)o2)cc1 1860668 RYOGMXINIRIXAW-UHFFFAOYSA-N 400.481 4.564 0 40 HJAB CCOP(=O)(OCC)[C@@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl 2257360 PRKKMPHCQFZXIT-CYBMUJFWSA-N 402.642 4.687 0 40 HJAB CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1 3230538 ZVPFCQKXDDABRJ-HSZRJFAPSA-N 423.534 4.952 0 40 HJAB COc1cc2ccccc2cc1C(=O)OCC(=O)c1ccc(Br)s1 3302363 MOPXKCBYPGCOHB-UHFFFAOYSA-N 405.269 4.712 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1-n1cccc1 5242462 ZKTDOHCOKKXWDZ-UHFFFAOYSA-N 417.538 4.660 0 40 HJAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(C)cc2)o1 5500546 NYMYSLZUQYHSRI-HNNXBMFYSA-N 409.577 4.989 0 40 HJAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccccc1C(=O)O 5520821 YSZCBPGUQBZIHV-UHFFFAOYSA-N 404.344 4.872 0 40 HJAB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1 5875307 QJJHMVCFYQTVPH-OAHLLOKOSA-N 413.543 4.585 0 40 HJAB S=C(NCCN(C(=S)Nc1ccccc1)c1ccccc1)Nc1ccccc1 6276893 BPROHDZYILGAKA-UHFFFAOYSA-N 406.580 4.877 0 40 HJAB C[C@H](CCCNC(=S)Nc1ccc(F)cc1)CNC(=S)Nc1ccc(F)cc1 6852805 LLYSTIJZTIUZJA-CQSZACIVSA-N 422.570 4.654 0 40 HJAB Cc1ccc2sc(N(CCCn3ccnc3)C(=O)c3ccc(F)cc3)nc2c1C 7424798 MAHNYXGRJHCMBY-UHFFFAOYSA-N 408.502 4.986 0 40 HJAB CCc1ccc(N2C(=O)C3=C(C2=O)[C@@H](c2cccnc2)Nc2ccccc2S3)cc1 7496274 PQUQLEZPKMLENO-OAQYLSRUSA-N 413.502 4.730 0 40 HJAB COc1ccc(-c2ccc3nnc(SCc4c(F)cccc4Cl)n3n2)cc1 7509904 DLZZZSGTMLFHNJ-UHFFFAOYSA-N 400.866 4.885 0 40 HJAB O=C(CSc1ncn(-c2ccccc2)n1)N(Cc1ccccc1)Cc1ccccc1 8391092 RQIYTRNKPRTZMB-UHFFFAOYSA-N 414.534 4.588 0 40 HJAB COc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)c3nc4ccccc4nc32)cc1 9002137 HKDIERVVVJIHGY-UHFFFAOYSA-N 420.476 4.718 0 40 HJAB COc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc(C)c(C)c3)n3ccccc23)c1 9316649 RUHZQAHGPCZDMC-UHFFFAOYSA-N 413.477 4.630 0 40 HJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](Sc1ncn[nH]1)c1ccccc1 9725650 SLGQYXOJNHEZBB-AWEZNQCLSA-N 412.824 4.949 0 40 HJAB CCc1nn2c(=O)cc(CSc3ccc(C)cc3)[nH]c2c1-c1ccc(OC)cc1 9936228 ZMMROSVKZOPRJF-UHFFFAOYSA-N 405.523 4.861 0 40 HJAB COc1cc(C=O)ccc1OCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 9963531 QTFCLSFMMOKBRU-UHFFFAOYSA-N 421.293 4.563 0 40 HJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cccc(Cl)c2)cc1 11115704 WIQYFZJGTHLEOZ-PMACEKPBSA-N 413.930 4.856 0 40 HJAB Cc1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)sc1C(=O)OCC(C)C 11916134 PCYFJISBDPITAR-UHFFFAOYSA-N 419.890 4.825 0 40 HJAB CCCCc1ccc2nc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)sc2c1 12521180 HTZVMFQFYZDFAZ-UHFFFAOYSA-N 417.556 4.571 0 40 HJAB Cc1c(C(=O)N[C@@H](c2ccccc2)c2nccn2C)oc2ccc(Br)cc12 12575923 UEIXRVJRCCOAHO-SFHVURJKSA-N 424.298 4.757 0 40 HJAB c1ccc(Oc2cccc(CN(CCCN3CCOCC3)Cc3cccnc3)c2)cc1 13569048 QYYTZPDMSDPERB-UHFFFAOYSA-N 417.553 4.598 0 40 HJAB C[C@@H]1CCCC[C@@H]1NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 13579431 NHHILIHHXWJECQ-ITVFJIHRSA-N 401.510 4.634 0 40 HJAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN(c2ccc(C)cn2)C4)cc1 13692396 FHHMDLYFXHKBPA-UHFFFAOYSA-N 400.434 4.529 0 40 HJAB biogenic C[C@@H](Sc1nnc([C@@H](C)Oc2ccccc2F)o1)C(=O)Nc1ccc(Cl)cn1 14112934 HYSNZGSUFZIYHH-GHMZBOCLSA-N 422.869 4.516 0 40 HJAB Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccccc3Cl)nc2n1 14373094 VQFTUVZFPVUPPD-UHFFFAOYSA-N 423.929 4.939 0 40 HJAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc1 14712768 PUSUJCKQTACSCP-CQSZACIVSA-N 406.463 4.996 0 40 HJAB Cc1cc(NC(=O)[C@H](OC(=O)Cc2cccc3ccccc23)c2ccccc2)no1 16743049 LVYFVWXFLINCHQ-HSZRJFAPSA-N 400.434 4.602 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NC2CCCCC2)cc1C 17209369 VABSAWOZTNIQTM-UHFFFAOYSA-N 410.543 4.792 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1sc(-c2cccs2)nc1C 18463318 MRGZABNYSWFFBX-ZDUSSCGKSA-N 416.524 4.681 0 40 HJAB Cc1ccc([C@H](C)C(=O)NCc2ccc(-c3ncncc3-c3cc(C)no3)cc2)cc1 19136386 UVWFQXVZQYKFQB-SFHVURJKSA-N 412.493 4.835 0 40 HJAB CCCc1ncc(-c2ccncc2C)c([C@H]2CCCN2C(=O)c2sc(C)nc2C)n1 19525663 BDNOOUPHVQNSEG-LJQANCHMSA-N 421.570 4.850 0 40 HJAB Cc1nc([C@@H]2CCCN2C2CCCC2)nc2c1CCC(=O)N2CCCc1ccccc1 19695978 DVBCTQCXUJULHE-QHCPKHFHSA-N 418.585 4.777 0 40 HJAB Cc1csc(Nc2cccc(C(=O)Nc3nc(-c4cn(C)nc4C)cs3)c2)n1 19716212 GRUQTEMZPCKMCE-UHFFFAOYSA-N 410.528 4.613 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1nnc(-c2ccccc2F)s1 19717307 YLYOBXISTBMFCT-UHFFFAOYSA-N 421.501 4.718 0 40 HJAB O=C(C[C@@H]1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 19817427 BCEHXVBQEIGBRZ-HXUWFJFHSA-N 424.451 4.564 0 40 HJAB Cc1ccccc1-n1nnnc1C1(NCCc2c(C)[nH]c3ccccc23)CCCCC1 19848445 UNXSITCVBDIWPJ-UHFFFAOYSA-N 414.557 4.752 0 40 HJAB COc1ccc(Cl)cc1-c1nnc(SCc2nnc(-c3ccc(F)cc3)o2)o1 19929148 RFBVWRVLCFLPGE-UHFFFAOYSA-N 418.837 4.880 0 40 HJAB Cc1ccccc1-c1noc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)[nH]2)n1 21731004 JZIVTCFQSVKNBH-UHFFFAOYSA-N 415.478 4.569 0 40 HJAB Cc1ccc(Nc2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 24101403 OJHXPWWGNRLXII-UHFFFAOYSA-N 410.495 4.701 0 40 HJAB Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)c1 27663729 RRNGWJZTQHCSGU-JOCHJYFZSA-N 400.950 4.679 0 40 HJAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(Cl)c(Cl)c2)cs1 40128144 JYOQCLQUWGFCPH-UHFFFAOYSA-N 410.282 4.785 0 40 HJAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)N=C(O)CCS2 49550267 CZZGBMSFNVGNCI-UHFFFAOYSA-N 403.312 4.878 0 40 HJAB Cc1nnc2sc(-c3ccccc3NC(=O)c3cc(Cl)ccc3Cl)nn12 59294272 AWYYLOSYDVHOIP-UHFFFAOYSA-N 404.282 4.720 0 40 HJAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCCc1ccc(Cl)cc1 71326383 NMORAGDERAFSCR-UHFFFAOYSA-N 407.326 4.869 0 40 HJAB CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1 71934814 WJEDPFSNGRUMAW-QFIPXVFZSA-N 411.590 4.575 0 40 HJAB O=C(c1ccc(F)cc1F)N1CCC[C@H]1c1ccc(I)cc1 72303786 RFGJDGSAZYMJSK-INIZCTEOSA-N 413.205 4.547 0 40 HJAB Cc1nnc(Nc2cccc(C3CCN(Cc4cn(C)c5ccccc45)CC3)n2)s1 72376180 WRNCPKMMNKTYCF-UHFFFAOYSA-N 418.570 4.856 0 40 HJAB Cc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)nc(C(C)C)n1 84114295 OTYGRXFTWQBIBA-UHFFFAOYSA-N 406.534 4.846 0 40 HJAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5ccccn5)cc34)co2)cc1 96154306 SHMWJNDNYNXZBD-UHFFFAOYSA-N 410.433 4.783 0 40 HJAB O=C1/C(=C\NCCc2ccccc2)c2ccccc2C(=O)N1c1ccccc1Cl 104740482 LUOYRANFADERFN-SILNSSARSA-N 402.881 4.700 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)Nc1cccc(Cl)c1 108902391 BJKDEYSIYWVZDL-OVCLIPMQSA-N 407.278 4.668 0 40 HJAB O=C(CCc1ccccc1Br)NCc1cncc(-c2ccsc2)c1 206945150 ZNLSOAGTDWPWCM-UHFFFAOYSA-N 401.329 4.822 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 222603571 JIONIVLLRSINJN-HXUWFJFHSA-N 421.368 4.868 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 222787553 JWGBYGGBYDOJTK-QGZVFWFLSA-N 400.950 4.605 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@H](C)CCc1ccccc1 223405410 CHHBSEGFSMFFLS-URPBSQGJSA-N 418.562 4.965 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 223679113 ZVCMARLKMDGMER-HXUWFJFHSA-N 402.538 4.634 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 224653733 HIMLBRAYXYSRPX-XMMPIXPASA-N 424.585 4.570 0 40 HJAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(Oc2cccc3cccnc23)CC1 238876120 OBVMRMKCCJMYFK-UHFFFAOYSA-N 414.427 4.866 0 40 HJAB CCc1n[nH]c(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)c1C 257247576 IZOHJIRXCKFNJV-INIZCTEOSA-N 412.921 4.533 0 40 HJAB COc1cccc(CN2CCC[C@H](c3cc(C(=O)NC4CCCCCC4)on3)C2)c1 257255605 KIDYRXDOTZEQGB-IBGZPJMESA-N 411.546 4.515 0 40 HJAB COc1cccc(CN2CCC3(CC2)Oc2c(OC)cccc2[C@H]2OCCC[C@@H]23)c1 257296991 RFHQVLBYMBDMFA-JTHBVZDNSA-N 409.526 4.599 0 40 HJAB Oc1cccc2c1OC1(CCN(Cc3ccc4cc[nH]c4c3)CC1)[C@H]1CCCO[C@H]21 257341167 ZJCIKQUXOLZURA-NZQKXSOJSA-N 404.510 4.768 0 40 HJAB CO[C@]1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCC[C@@H](C)C1 260818193 WYOVNAMKXAJKJT-YOSAUDMPSA-N 402.579 4.864 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)Nc4cc(Cl)ccc4C)cc3)C(=O)[C@H]21 408674194 XXTXWODEIYNUCR-FCXXMXSZSA-N 420.896 4.602 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cccc(C)c3)cc2)cc1 409357988 LHUJYPPNWMQVNN-UHFFFAOYSA-N 408.523 4.676 0 40 HJAB CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(CC)C3=O)o2)ccc1Cl 409361922 RBFUEAIBMXCWSR-MHWRWJLKSA-N 405.859 4.833 0 40 HJAB Fc1cc(OCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)ccc1Cl 1189078833 OHPZWMFVRDOVHQ-UHFFFAOYSA-N 407.154 4.706 0 40 HJAB O=c1oc2c(Br)cc(Br)cc2cc1-c1nc2ccccc2[nH]1 652727 WEZGGAYQUDUVLF-UHFFFAOYSA-N 420.060 4.861 0 40 HJAB Cc1nc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C)C4)sc1C 928906 SGQIRRLYONXSFH-SECBINFHSA-N 404.586 4.620 0 40 HJAB COc1cccc2cc(C(=O)N(Cc3ccccc3)Cc3ccc(F)cc3)c(=O)oc12 1342163 OAEGGZCETJJBBM-UHFFFAOYSA-N 417.436 4.783 0 40 HJAB CCSc1nc(Oc2ccsc2C(=O)OC)c2cnn(-c3ccccc3)c2n1 1403682 STGPQXOAKJMRHC-UHFFFAOYSA-N 412.496 4.568 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)Oc1cccc2c3c(c(=O)oc12)CCCC3 1441819 QSTUGMIXYCGTPI-UHFFFAOYSA-N 419.260 4.963 0 40 HJAB c1coc(-c2nc3sc4c(NC[C@@H]5CCCO5)ncnc4c3c3c2CCCC3)c1 2282847 HMSPLHJLDJASAW-ZDUSSCGKSA-N 406.511 4.969 0 40 HJAB CC(C)C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)c1 2302278 KQBCYXYXUBVDBL-UHFFFAOYSA-N 416.433 4.580 0 40 HJAB CCCCSc1nc2nc3c(cc2c(=O)n1-c1cccc(C)c1)COC(C)(C)C3 2314535 HUMGKEXSWZKBPO-UHFFFAOYSA-N 409.555 4.833 0 40 HJAB CCCCc1nc2sc3c(N(CC)CCO)nc(SC)nc3c2c2c1CCC2 2428836 GRRWIKFUKIPLBP-UHFFFAOYSA-N 416.616 4.611 0 40 HJAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@@H](C)SC2=N1 2463218 BWTWZELDXYHCMO-KDOFPFPSSA-N 400.544 4.584 0 40 HJAB Cc1cccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1 2647562 UWCXLSQHUFCZMP-QGZVFWFLSA-N 415.522 4.757 0 40 HJAB COc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)cc1Cl 3216986 HCHZUMBCIPCFFF-UHFFFAOYSA-N 424.884 4.571 0 40 HJAB aggregator CNC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CC[C@@H](C)C2 4326466 YUVYJKDHFOKEBW-SSDOTTSWSA-N 403.356 4.853 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 5043616 BSYFURNMUXGBOZ-RVZJWNSFSA-N 416.403 4.728 0 40 HJAB c1ccc(COC[C@H]2O[C@H]3c4ccccc4CO[C@@H]3[C@@H]2OCc2ccccc2)cc1 5882344 DDSMNKYRACJCFU-ZJSPYRCASA-N 402.490 4.828 0 40 HJAB C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N1CCc2ccccc21 6531334 HAPCMFJGIQZORM-MRXNPFEDSA-N 419.550 4.582 0 40 HJAB COc1ccccc1CNCc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 6653525 GRZWIIIZFWRXMB-UHFFFAOYSA-N 411.914 4.603 0 40 HJAB O=C(CN1CCSc2ccccc21)N1CCC(c2nc3ccccc3s2)CC1 7355538 OIRSHOWDFJYWKI-UHFFFAOYSA-N 409.580 4.615 0 40 HJAB O=c1[nH]c(N2CCc3ccccc3C2)nc2c1[C@@H](c1ccccc1)C1=C(CCCC1)N2 8017802 BFJDUCMIWMPWPB-QFIPXVFZSA-N 410.521 4.718 0 40 HJAB C[C@H](C(=O)O)N1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O 8262046 JWEROVQUXOREET-TVNQGELYSA-N 409.872 4.594 0 40 HJAB C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1cccs1 8895496 USYRXXLXCFRKNC-HNNXBMFYSA-N 424.551 4.617 0 40 HJAB CN1C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2Oc2ccccc21 8961045 FVVJZUPFRSKDQG-UHFFFAOYSA-N 420.899 4.585 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1cn3cc(C)ccc3n1)CC2 9155444 RORHNXAMTRFPKF-SANMLTNESA-N 413.521 4.808 0 40 HJAB Cc1c(NS(=O)(=O)c2cc(F)ccc2F)cccc1-c1nc2cccnc2s1 9403975 LIPUYLDDXVSQLN-UHFFFAOYSA-N 417.462 4.746 0 40 HJAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccccc2-c2ccccc2)CC1=O 9549220 IHLVKCIRURMAED-LJQANCHMSA-N 400.478 4.662 0 40 HJAB Cc1cc(C(=O)Nc2cccc(Cl)c2)ccc1NS(=O)(=O)c1ccccc1 10314361 YURPSYPAUJZZFX-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccncc4)no3)ccc21 10394108 MOSZLRGDRGHMAO-UHFFFAOYSA-N 411.465 4.831 0 40 HJAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c1 10512266 YZDCRMPCEOSQPN-UHFFFAOYSA-N 406.442 4.542 0 40 HJAB COc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(Cl)c1Cl 10544152 ZHPLJLDICLQZGQ-LBPRGKRZSA-N 416.326 4.583 0 40 HJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1 11116666 NOIFJWJRYVFJMY-YADHBBJMSA-N 407.539 4.820 0 40 HJAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cc(Cl)ccc4C)ccc1c23 11691608 ZRIGKRJYJKXSPP-UHFFFAOYSA-N 400.887 4.583 0 40 HJAB CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 12063001 JACIYACCCUMGBS-CQSZACIVSA-N 415.877 4.812 0 40 HJAB COc1cc(Nc2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc2)nc(C)n1 12225692 XQVWWNROGBGHBP-UHFFFAOYSA-N 413.865 4.843 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1ccncc1)N(Cc1cccc(C)c1OC)CC2 12240827 LDFBPGOZGXZKQX-DEOSSOPVSA-N 404.510 4.564 0 40 HJAB O=S(=O)(Nc1cccc(/C=C/c2ccncc2)c1)c1ccc(Br)cc1 12428826 CVERHTUPFIGTTH-SNAWJCMRSA-N 415.312 4.815 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 12852531 JJLAZLFAABTMPU-UHFFFAOYSA-N 410.543 4.948 0 40 HJAB COc1ccc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1OC 13000851 GJZFQZWWDKGLEL-UHFFFAOYSA-N 418.902 4.953 0 40 HJAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(I)cc1 13282926 KERXYTASBCMUMG-UHFFFAOYSA-N 414.246 4.529 0 40 HJAB CC(C)[C@H](NC(=O)N[C@H]1CCCc2ccccc21)C(=O)N[C@@H]1CCCc2ccccc21 13548458 BZZNNEANKNPIGA-SGNDLWITSA-N 419.569 4.582 0 40 HJAB COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OCc1ccccc1 13928072 MMXPEXHEOMPKFA-MOSHPQCFSA-N 403.409 4.758 0 40 HJAB Cc1csc(C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c1 19124582 XLRWBMUDBKRNEK-IBGZPJMESA-N 421.570 4.650 0 40 HJAB CCOc1ccccc1C(=O)N1CCC(c2nc(NC)cc(-c3ccsc3)n2)CC1 19520046 PIANIXILPKJGIM-UHFFFAOYSA-N 422.554 4.665 0 40 HJAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(CCc1ccccc1F)CO3 19882474 KMRLHJPVPWUTQT-UHFFFAOYSA-N 401.437 4.994 0 40 HJAB Cc1cccc(OCC(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1 19889204 YXABUMPOTNTBOV-UHFFFAOYSA-N 416.521 4.511 0 40 HJAB CC1=C(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@H](C)NN1Cc1ccccc1C 20418485 AZBRNLAOVDMZNY-HNNXBMFYSA-N 422.916 4.674 0 40 HJAB CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccccc2)cc1OCC 22053666 KLQLFOYWGBOEMW-UHFFFAOYSA-N 405.498 4.786 0 40 HJAB COc1ccc(Cc2nnc(S[C@@H](C)c3nnc(-c4ccc(OC)cc4)o3)o2)cc1 27717207 BDILAQAEHOGJLS-ZDUSSCGKSA-N 424.482 4.581 0 40 HJAB O=C(COC(=O)Cc1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl 28612256 DCNZJEIACCEXRO-UHFFFAOYSA-N 406.187 4.737 0 40 HJAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc2c(c1)C(=O)c1ccccc1-2 32762395 BJWVBUYXNDLOJD-OAQYLSRUSA-N 402.519 4.526 0 40 HJAB Cc1ccc(-c2nc(CC(=O)N[C@H](C)c3cccc(Br)c3)cs2)o1 32816664 DOFYHGMIHTXHGF-GFCCVEGCSA-N 405.317 4.894 0 40 HJAB Clc1ccc(-c2nc(CSc3nnnn3CCc3cccs3)co2)cc1 32860379 LQSWNIDVAOPYTE-UHFFFAOYSA-N 403.920 4.578 0 40 HJAB Cc1c(-c2nn(-c3ccccc3Cl)c(-c3cnn(C)c3C)c2Cl)cnn1C 36611601 YXAWNLANLZBFEP-UHFFFAOYSA-N 401.301 4.597 0 40 HJAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1 38753474 XAJAYZRGNOEHOT-QFIPXVFZSA-N 408.523 4.677 0 40 HJAB O=C(CCSc1ccccc1Br)Nc1cccc(NC(=O)C2CC2)c1 40106555 IHALSCGKPSBQSY-UHFFFAOYSA-N 419.344 4.919 0 40 HJAB O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)Nc1ccc(C(F)(F)F)cc1 43984018 SLHJKFGAKJRGAN-UHFFFAOYSA-N 421.419 4.738 0 40 HJAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCc1ccc(Cl)cc1Cl 48333923 DTFXTILRPOXZKY-UHFFFAOYSA-N 420.340 4.902 0 40 HJAB Cc1cc2cc(NC(=O)[C@]3(C(F)(F)F)CCN(Cc4ccccc4)C3)ccc2[nH]1 58167104 HLDSSORLVYAUIB-NRFANRHFSA-N 401.432 4.869 0 40 HJAB COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cc(-c2ccccc2)no1 58177832 ACYIVDQTETVCFA-LJQANCHMSA-N 405.281 4.995 0 40 HJAB O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65813767 VBFUAOCDQNXEMQ-JOUKPKRSSA-N 422.529 4.786 0 40 HJAB Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)CCc1ccc2c(c1)OCO2 70037483 DJDLCDWUOICDFY-UHFFFAOYSA-N 415.902 4.525 0 40 HJAB Cc1nc([C@H]2CCCCN2CCCc2ccccc2)ncc1C(=O)N1CCCCC1 72345530 REKURFZSWBLZCI-HSZRJFAPSA-N 406.574 4.571 0 40 HJAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 72346098 IYNDRJYDERNJNE-MRXNPFEDSA-N 418.463 4.641 0 40 HJAB Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)n1 72374709 AGSMNQVCXVMOBE-LJQANCHMSA-N 420.944 4.636 0 40 HJAB COc1cc(C)ccc1CN1CCC[C@@H]1c1cccc(Nc2nc(C)cc(C)n2)n1 72375725 MCYLFNPWGDUKGD-OAQYLSRUSA-N 403.530 4.886 0 40 HJAB Cc1cccc([C@H]2CC(c3ccco3)=NN2S(=O)(=O)c2ccc(Cl)cc2)c1 89669378 SOLNBPPFQLZWNW-LJQANCHMSA-N 400.887 4.781 0 40 HJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 95482278 ZBUPFOMLUDGOTJ-CQSZACIVSA-N 419.934 4.884 0 40 HJAB CCCSc1nc2cc(OC)c(OC)cc2c(=N)n1Cc1ccccc1Cl 100330268 XXZLQFNDBCYEDQ-UHFFFAOYSA-N 403.935 4.737 0 40 HJAB Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1C(=O)OC(C)C 102632592 XEGVHWKWMUAASM-SOUVJXGZSA-N 407.532 4.562 0 40 HJAB O=C(c1ccc2ncsc2c1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 220676307 UWBOSCSLRMVLOX-CQSZACIVSA-N 422.485 4.580 0 40 HJAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 224428527 VHHJYYGDJZCPJN-FCHUYYIVSA-N 418.497 4.841 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 224695858 IOOQLALZYYJXDN-JOCHJYFZSA-N 414.977 4.771 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 225200214 FHYCNVKHEGHYJM-OALUTQOASA-N 414.977 4.831 0 40 HJAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC(C)C)cc1 225357541 OJFMIHYSLGOKLK-FGZHOGPDSA-N 406.555 4.867 0 40 HJAB CCC1(CC)C[C@@H](NS(=O)(=O)Cc2c(F)cccc2Cl)c2ccccc2O1 225883179 VBBWNIMRYMLWFW-GOSISDBHSA-N 411.926 4.981 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(OC(C)C)cc3)cc2)cc1 408617724 IWGNRZBNSDKCAF-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB O=C(Oc1c(Br)cc(Br)c2cccnc12)N1CCCCC1 947976 VPTGJSRRAXGPEW-UHFFFAOYSA-N 414.097 4.745 0 40 HJAB CC(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3ccccc3oc2=O)cc1 1330124 DMUAIQZEJBSVSE-NRFANRHFSA-N 405.494 4.738 0 40 HJAB O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1F 2233792 OHHGMWIOJNCBGN-UHFFFAOYSA-N 409.417 4.900 0 40 HJAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1)c1cccc(Cl)c1 2414397 RQDJTIJCVCFZTK-UHFFFAOYSA-N 410.886 4.828 0 40 HJAB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3)c3ccccc3n2)cc1 2628843 IDHLKNBVCDATMD-UHFFFAOYSA-N 412.445 4.706 0 40 HJAB S=c1oc(-c2cc(-c3ccccn3)nc3ccccc23)nn1CN1CCCCC1 2637157 IDZKFEVSHTWSRA-UHFFFAOYSA-N 403.511 4.926 0 40 HJAB Fc1ccc(Br)cc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2ncnn21 2914753 PDPQORMSNISQHG-CVEARBPZSA-N 407.674 4.979 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2C)c1 3204961 RHWIGUQJEZIXKX-UHFFFAOYSA-N 415.342 4.585 0 40 HJAB CCOc1cc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc(OCC)c1OCC 4061501 ZHHXAUQEPALYNQ-UHFFFAOYSA-N 410.514 4.613 0 40 HJAB CCOc1ccc(C(=O)NCCSc2ncc(-c3ccc(Cl)cc3)[nH]2)cc1 4315781 MDMBTWKDBUTIKC-UHFFFAOYSA-N 401.919 4.651 0 40 HJAB Cc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(Cl)s3)s2)cc1 4392409 HZPSSWQHMFRQIB-UHFFFAOYSA-N 412.989 4.663 0 40 HJAB Cc1ccc(CN2C(=O)[C@@](O)([C@@H](C)C(=O)c3ccccc3)c3cc(Cl)ccc32)cc1 4555177 CGFKVWYQIACLEN-SSOJOUAXSA-N 419.908 4.902 0 40 HJAB COc1ccc2nc(Cl)c(CN(Cc3cccnc3)C(=O)c3ccco3)cc2c1 4856614 JOJJCTKDASGJOW-UHFFFAOYSA-N 407.857 4.727 0 40 HJAB CC(C)c1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 5099775 JFVBYMZWRKGWFB-UHFFFAOYSA-N 406.935 4.646 0 40 HJAB CCn1c(S[C@@H](C)C(=O)N2CCc3ccccc32)nnc1-c1ccc(Cl)cc1 5309329 SIYBVIGDEVODLE-AWEZNQCLSA-N 412.946 4.688 0 40 HJAB Cc1cc(C2=NN=C(Nc3cccc(Cl)c3)SC2)c(C)n1C[C@@H]1CCCO1 5866839 DDTWVLFIDFNENQ-KRWDZBQOSA-N 402.951 4.856 0 40 HJAB O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccccc1C(F)(F)F 6461144 DVOISTKFVJUGOT-UHFFFAOYSA-N 414.383 4.975 0 40 HJAB CCOc1ccccc1OCC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 6970951 QFQRCKBEWKGNAF-UHFFFAOYSA-N 401.466 4.726 0 40 HJAB C[C@H]1Oc2ccc(NC(=O)Cn3c(-c4ccccc4)cc4ccccc43)cc2NC1=O 7314244 TYRUWTVUJVRGFZ-MRXNPFEDSA-N 411.461 4.666 0 40 HJAB COc1cc(NC(=O)c2ccc(OCc3csc(C)n3)cc2)c(OC)cc1Cl 8031964 KJMDFEFSLJJVKT-UHFFFAOYSA-N 418.902 4.953 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)N[C@@H]1CCCc2ccccc21 8076453 XZIRCLRJARPHIW-QGZVFWFLSA-N 410.568 4.627 0 40 HJAB CCn1c(CCCc2ccc(OC)c(C)c2)nnc1SCC(=O)c1ccccc1 8203091 QLPRDICKZDZZQT-UHFFFAOYSA-N 409.555 4.765 0 40 HJAB CCOc1cc(CNn2c(CC)n[nH]c2=S)cc(Cl)c1OCc1ccccc1 8339050 FCEQOXROXDLUIU-UHFFFAOYSA-N 418.950 4.878 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)CCNC(=O)c2ccccc2Cl)cc1 8394270 HOAFCGKDOVMWLB-OAQYLSRUSA-N 414.933 4.612 0 40 HJAB COc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)cc1 8475455 RNGYZPUVGBMXMM-OAHLLOKOSA-N 400.434 4.586 0 40 HJAB COc1ccc(C)cc1-n1c(SC[C@H]2CCCO2)nc2sc(C)c(C)c2c1=O 9335988 ZVFVYTRUEVIDLB-OAHLLOKOSA-N 416.568 4.652 0 40 HJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](Sc1nnnn1C1CC1)c1ccccc1 9637130 KHQMJFKCCXPBEA-INIZCTEOSA-N 420.325 4.787 0 40 HJAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)OCCOc1ccccc1 11777450 NKEDNEKMWSGWSV-JOCHJYFZSA-N 423.896 4.823 0 40 HJAB CCc1cc(C(=O)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)sc1C 11918426 XJAYCSYCQKANIT-UHFFFAOYSA-N 401.528 4.574 0 40 HJAB COc1ccc(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)cc1OC 12223570 CGWZMUOUXBBELK-UHFFFAOYSA-N 422.510 4.875 0 40 HJAB O=C(NCCc1cccc(F)c1)c1cn(Cc2ccccc2)nc1-c1cccs1 12568630 PSHCSKJHNPWRIW-UHFFFAOYSA-N 405.498 4.772 0 40 HJAB COc1cc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc(OC)c1OC 12733105 AJEDZYBFJGBEEF-UHFFFAOYSA-N 420.824 4.721 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 12788930 KYMDRBKOJDYQKI-UHFFFAOYSA-N 421.927 4.568 0 40 HJAB CC(=O)Nc1cccc(NC(=O)CN[C@H](c2ccccc2)c2ccc(C)c(C)c2)c1 12819679 LJFCSFISOXMGFI-RUZDIDTESA-N 401.510 4.580 0 40 HJAB COC(=O)c1cc(NC(=O)c2csc(COc3ccc(F)cc3)n2)ccc1Cl 12907761 DOEWBHHXYCNEBA-UHFFFAOYSA-N 420.849 4.554 0 40 HJAB CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3ccco3)cc12 13564681 GBYRSKBOZHDEOI-UHFFFAOYSA-N 410.905 4.548 0 40 HJAB CCOC(=O)c1cccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)c1 15838634 MNSASEHVRTXALQ-UHFFFAOYSA-N 414.255 4.554 0 40 HJAB O=C(CN(Cc1cccs1)Cc1cccs1)Nc1ccc2c(c1)OCCCO2 16396804 QBOPGRWPWQQWIJ-UHFFFAOYSA-N 414.552 4.612 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 17043016 APJCLWJFFFJBDP-UHFFFAOYSA-N 400.478 4.606 0 40 HJAB c1cc(CN[C@@H](Cc2ccsc2)c2nccs2)cc(OC[C@@H]2CCCO2)c1 19330939 AHAJRUKAXIWTCL-PMACEKPBSA-N 400.569 4.836 0 40 HJAB O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccccn3)CC[C@H]21 19401841 XIEOTXHFOJQSIT-DNVJHFABSA-N 409.599 4.540 0 40 HJAB CC(C)n1cc(CN2C[C@@H](c3ccccn3)[C@@]3(CCCCC(=O)N3)C2)c2ccccc21 19454817 VYXMWUNUNVXWOY-BKMJKUGQSA-N 416.569 4.646 0 40 HJAB CCN(Cc1ccnn1C)[C@H]1CCO[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C1 19711995 PEKTVYRKJCGWGR-WIOPSUGQSA-N 405.542 4.838 0 40 HJAB Cc1cc(C)n([C@@H](C)C(=O)Nc2nnc(C(c3ccccc3)c3ccccc3)s2)n1 19716911 JQXJRMKNKUXGHV-KRWDZBQOSA-N 417.538 4.731 0 40 HJAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(C2CCSCC2)CC1 19792368 KLCMIRSGIDDDJE-UHFFFAOYSA-N 420.582 4.776 0 40 HJAB COC(=O)CC(=O)C[C@@H](O)/C=C/c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C 21989036 GARMPDXDAZRRAW-HYSAVQALSA-N 423.484 4.925 0 40 HJAB in-vitro CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 25680610 XIMWIRMKTIHZAE-MHECFPHRSA-N 418.537 4.652 0 40 HJAB O=C(CCc1nc(-c2cccs2)no1)N1CCc2sccc2[C@@H]1c1ccccc1 25900164 YLMPTKHXPDCOKQ-NRFANRHFSA-N 421.547 4.967 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 30754171 YCBNFLDMCGNYTR-HXUWFJFHSA-N 407.341 4.808 0 40 HJAB O=C(c1ccc(COc2ccccc2)o1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 32882842 CXEOIYQOHCUBFI-QGZVFWFLSA-N 401.466 4.755 0 40 HJAB Fc1ccc(F)c(-c2nn3c(-c4ccc(F)c(Br)c4)nnc3s2)c1 36359909 RCXNIGFWQHKWIJ-UHFFFAOYSA-N 411.206 4.700 0 40 HJAB O=C(CCCn1cnc2ccccc2c1=O)Nc1ccccc1N1CCc2ccccc21 36390781 IVJDEHUDPVHZSN-UHFFFAOYSA-N 424.504 4.510 0 40 HJAB CC(C)[C@@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(=O)N[C@H]1CCCc2ccccc21 36550924 BZZNNEANKNPIGA-RBZQAINGSA-N 419.569 4.582 0 40 HJAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cc2ccccc2oc1=O 36648665 LVISGBHKGQVSPY-NRFANRHFSA-N 408.457 4.836 0 40 HJAB O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCC[C@H]1c1ccsc1 40110433 UBCGQDDADBYCDR-KRWDZBQOSA-N 418.565 4.588 0 40 HJAB C[C@H]1CCC[C@H](n2ccc3c(nnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)[C@@H]1C 40392415 HLOYQJFECJUBSL-IYOUNJFTSA-N 407.905 4.757 0 40 HJAB O=C(CSCc1cccc(Cl)c1)NCc1ccc(CN2CCCCC2)cc1 44873319 CINKLZNUKCPERF-UHFFFAOYSA-N 402.991 4.876 0 40 HJAB Cc1cccc(Cl)c1NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C 51357439 XBEMBKDZCRHJTP-UHFFFAOYSA-N 415.946 4.745 0 40 HJAB COc1cccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)c1 57487240 YJEXNBCGJKWTSV-UHFFFAOYSA-N 408.845 4.506 0 40 HJAB O=C(N[C@@H]1CCCS(=O)(=O)c2ccccc21)c1ccccc1CCc1ccccc1 58159629 BMHUTEQVLSFHIR-HSZRJFAPSA-N 419.546 4.510 0 40 HJAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)NCc1cccnc1 61240788 GFTQIJLPNHWARW-UHFFFAOYSA-N 421.500 4.860 0 40 HJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc4c(c3)CCC4)oc12 67298928 LSRDUJSSUBWSLR-RFBIWTDZSA-N 414.461 4.686 0 40 HJAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)NC2CCCC2)cc1 71328018 RLSYEPBIPROFOO-UHFFFAOYSA-N 401.576 4.595 0 40 HJAB Cc1cc(-n2cnnc2)cc(C)c1NC(=O)c1cc(Br)ccc1Cl 72228904 NDZRDEBNUWFOJN-UHFFFAOYSA-N 405.683 4.552 0 40 HJAB CCCc1nc(C)sc1C(=O)Nc1nc(C(=O)OC)c(-c2ccccc2)s1 72402450 KCFBHNLCLDIEJR-UHFFFAOYSA-N 401.513 4.566 0 40 HJAB O=C(CSc1ccc(F)cc1)N[C@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1 77200360 CVRBUECIFBYOKD-ROUUACIJSA-N 420.481 4.733 0 40 HJAB O=C(C[C@@H]1CCOc2ccccc21)N(c1nccs1)[C@H]1CCCc2cccnc21 95997595 IHDIIHDSCCGJCR-HKUYNNGSSA-N 405.523 4.905 0 40 HJAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)C1 100603614 RMIRJSKLQTXWMS-HFJWLAOPSA-N 418.537 4.643 0 40 HJAB CC(=O)Nc1cccc(C2=C[C@@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)c1 100834957 NAKBCRUSWPQIJU-SFHVURJKSA-N 400.269 4.599 0 40 HJAB Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)c(C)c1 101029044 GGXVKOKJHJWILE-BVSLBCMMSA-N 418.518 4.724 0 40 HJAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@@H]4C[C@@](O)(C(Cl)(Cl)Cl)CC[C@@]43C)[C@@H]1CCC2=O 118915194 PRKJWXBURFOVQU-YKVGSVILSA-N 421.792 4.879 0 40 HJAB O=C(NCc1ccc([C@H](O)c2ccsc2)s1)c1ccc(OC(F)(F)F)cc1 207966941 UPWBMUUNNLECTG-MRXNPFEDSA-N 413.442 4.720 0 40 HJAB CCOC(=O)c1cccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1C 219468117 IMAZKZFWXKSQDX-UHFFFAOYSA-N 416.477 4.704 0 40 HJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(C(=O)O)c3)N21 222708846 HAXKPWABYPLQIA-ZLGUVYLKSA-N 418.522 4.550 0 40 HJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 222991153 KXRGEYKXUVVIJN-OAQYLSRUSA-N 420.475 4.828 0 40 HJAB CCCCc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CCC)cc1 223114056 HBAMEMSGSOJGIM-UHFFFAOYSA-N 413.543 4.619 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 224773470 QRKKHQJQAANBQH-NRFANRHFSA-N 418.940 4.601 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3C)cc2)c(C)c1 225055901 SZYPGZFAXGHNTE-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB COc1ccc(C(=O)N2CCS/C2=C/c2csc(-c3cccnc3)n2)cc1C 225262261 ABXJIXVWWXALIH-YBFXNURJSA-N 409.536 4.710 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 225313587 RERDMRXECZVVQB-CVEARBPZSA-N 421.368 4.868 0 40 HJAB CC(C)CC(=O)N1CCC[C@H]1c1nc(COc2ccc(Cl)cc2)c(C(=O)O)s1 257278763 ODOPTGPMQMEPSJ-INIZCTEOSA-N 422.934 4.783 0 40 HJAB Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)c2c(C)noc2n1 257282900 OVURFOIYIHEXEJ-HXUWFJFHSA-N 416.481 4.786 0 40 HJAB Cc1nc(-c2ccc(S(=O)(=O)NCc3nc(C4CCCCC4)cs3)cc2)co1 390832124 XLWLVRNTJNLNFA-UHFFFAOYSA-N 417.556 4.633 0 40 HJAB Cc1ccc(-c2nnc(CN(C)C(=O)c3c(-c4ccccc4Cl)noc3C)o2)cc1 408714979 ZZPTUEFRXVTDOQ-UHFFFAOYSA-N 422.872 4.934 0 40 HJAB Cc1ccc(Cl)c(OCC2(O)CCN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)CC2)c1 585288163 YHXJLWFITACBAU-OKDJAKQTSA-N 424.025 4.822 0 40 HJAB Cc1cc(-c2ccccc2)nc2oc3c(=O)n(-c4ccc(Cl)cc4)c(O)nc3c12 642429 VLUJJKKPJBRYSW-UHFFFAOYSA-N 403.825 4.861 0 40 HJAB CCOC(=O)c1ccc(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)cc1 837255 LSPWTTPFAYRNGF-UHFFFAOYSA-N 424.250 4.580 0 40 HJAB C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(Br)cc1 873405 LAYDASPHQIBIKY-LLVKDONJSA-N 404.289 4.618 0 40 HJAB C[C@H](NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1ccccc1 901970 SYMMVHLUBPULMY-LBPRGKRZSA-N 407.417 4.725 0 40 HJAB O=C(Nc1ccc(Cl)cn1)c1ccc(COc2ccccc2Br)o1 1083422 KKMZDXWZZIWZQA-UHFFFAOYSA-N 407.651 4.922 0 40 HJAB COc1ccc(NC(=O)c2sc3nc4c(C)c(C)ccc4cc3c2N)cc1OC 1342925 FJBMOAVJOTUGOF-UHFFFAOYSA-N 407.495 4.918 0 40 HJAB Cn1c(SCC(=O)c2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)nc1 2565151 FGDUJOWRKJXUFR-UHFFFAOYSA-N 412.824 4.524 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c(C)c1 3301605 JPEZNKYZUIFJGK-UHFFFAOYSA-N 400.434 4.907 0 40 HJAB CCOc1ccc2nc(-c3ccc(NC(=S)NC[C@H]4CCCO4)cc3)sc2c1 3315173 JOOJVUPTTBOBEO-QGZVFWFLSA-N 413.568 4.827 0 40 HJAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 3337000 FJKPOGOGJFNJNM-ZOXUKVPXSA-N 410.473 4.858 0 40 HJAB COc1ccc([C@H]2N(c3ccc(Cl)cc3)N=C(C(C)=O)N2C(C)(C)C)cc1OC 3765495 LXLLULKDSZYJJF-OAQYLSRUSA-N 415.921 4.879 0 40 HJAB CCOc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O 4702329 PJDMMKZUPHRLHO-MOSHPQCFSA-N 406.869 4.985 0 40 HJAB O=C(c1ccccc1)N1C(=S)C(c2ccc(Br)cc2)=NC12CCCC2 4891753 RPYDNSBBSRZIKF-UHFFFAOYSA-N 413.340 4.992 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(NC(=S)NCc3ccccc3)cc2)cc1 5127219 FTLCYZQQSTVJPX-UHFFFAOYSA-N 405.523 4.824 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 5309498 MKLSOWKXTCHAAL-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1CCc1ccc(Cl)cc1 5780028 SSXPASYKHVSJSZ-UHFFFAOYSA-N 400.931 4.609 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(Cl)s2)o1 6480323 HLPBZYOIXGACIR-UHFFFAOYSA-N 404.662 4.776 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1CCc1ccccc1 6608678 DNPPVHKIWDMZJU-UHFFFAOYSA-N 407.495 4.966 0 40 HJAB Cc1cc2c(cc1Br)C(=O)[C@@](CO)(Sc1ccc(Cl)cc1)CO2 6787668 KSBRZKKKMQBCLX-KRWDZBQOSA-N 413.720 4.509 0 40 HJAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Br)cc2)cc1 6810670 WZHCDEPAJUUWNX-UHFFFAOYSA-N 414.299 4.958 0 40 HJAB Cc1ccc(-c2c(C)sc3nc(CNc4ccc5c(c4)OCCO5)[nH]c(=O)c23)cc1 7002066 WMZJJKWDFCENOC-UHFFFAOYSA-N 419.506 4.652 0 40 HJAB Cc1nnc(S/C(=C\c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)O)o1 7603774 VZEBAWJZDXKWTQ-YVLHZVERSA-N 402.859 4.828 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(Cl)c1 7803552 ZADXQWFRHXQODE-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2c3ccccc3CC[C@H]2C)cc1 8366922 VDACUHHVVSUETC-QGZVFWFLSA-N 409.489 4.676 0 40 HJAB CC(C)(C)c1ccc(OCc2nn3c(COc4ccc(F)cc4)nnc3s2)cc1 8393429 LFIUOWZMCFJZDH-UHFFFAOYSA-N 412.490 4.780 0 40 HJAB COc1ccc(Nc2nc(NCc3ccccc3)nc3c2C(=O)CC(C)(C)C3)cc1 9264624 ZWHFIEVMSCTTBZ-UHFFFAOYSA-N 402.498 4.996 0 40 HJAB O=C(NC(=S)Nc1nc(-c2ccc(Br)s2)cs1)c1ccccc1 9446194 PAYJEIJWIAGIBN-UHFFFAOYSA-N 424.370 4.761 0 40 HJAB Cc1ccc(N2C(=O)N(Cc3ccc(C(=O)Nc4ccccc4)cc3)C(=O)[C@H]2C)cc1 9446767 OIDZICOWONHCEB-GOSISDBHSA-N 413.477 4.605 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4cc(F)ccc4C)c(=O)c23)s1 9537249 WDBFWTPRXIIJOH-UHFFFAOYSA-N 413.499 4.581 0 40 HJAB CCCCc1ccc(NC(=O)c2c[nH]c3c(c(C)nn3-c3ccc(C)cc3)c2=O)cc1 10166803 FNZTUEFLVLAPOC-UHFFFAOYSA-N 414.509 4.926 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(OC(C)C)c3)c2)cc1 10333035 XFCAYAGQZUEVOU-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB O=C(CCCNC(=O)c1ccsc1)Nc1cc(Cl)ccc1N1CCCCC1 12516280 YPLRJGHZUUGXKP-UHFFFAOYSA-N 405.951 4.541 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 12559745 HXYYVURFGKNUBK-KPZWWZAWSA-N 422.287 4.539 0 40 HJAB Cc1nc(S[C@@H](C)C(=O)c2ccc(Br)cc2)n(C[C@@H]2CCCO2)c1C 12603400 KZBYGVJVWHGZQE-YOEHRIQHSA-N 423.376 4.805 0 40 HJAB COc1cc(C)c(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)cc1OC 12752409 UKBRVEZONPEQFF-UHFFFAOYSA-N 407.894 4.961 0 40 HJAB CN(Cc1ccc2ccccc2c1)C(=O)CNC(=O)c1ccc(Cl)cc1Cl 12929790 DGQHMVAHPLTSQC-UHFFFAOYSA-N 401.293 4.535 0 40 HJAB Cc1ccc(CSCCNC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)cc1 12945088 MBKPPIJTZXVTBO-OAQYLSRUSA-N 424.591 4.577 0 40 HJAB O=C(CCCc1nc2ccccc2s1)Nc1cccc(I)c1 12971501 MFRIOIQXHDUUQS-UHFFFAOYSA-N 422.291 4.862 0 40 HJAB CC(C)(C)c1ccc(-c2noc(CNC(=O)c3ccccc3Br)n2)cc1 13495054 LEDXONBOYZHKKX-UHFFFAOYSA-N 414.303 4.727 0 40 HJAB CCCCn1nc(C)c2c(C(=O)Nc3cnn(Cc4ccc(C)cc4)c3)cc(C)nc21 13961426 SBDNUKXIUJUVHH-UHFFFAOYSA-N 416.529 4.654 0 40 HJAB COc1ccc(NC(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cn1 14268850 LRTKKQWVNQFFDC-UHFFFAOYSA-N 401.470 4.644 0 40 HJAB COc1ccc(N2C(=O)[C@H]3[C@H]4CCCC[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1 17217176 GECBHJXRQAUPDJ-KLDKWKSESA-N 400.478 4.737 0 40 HJAB Cc1ccccc1CN1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1 18110433 HZBQXAHAKZWROK-UHFFFAOYSA-N 422.532 4.563 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1)c1cccs1 19348965 FICZDQUATVLFHZ-XMSQKQJNSA-N 409.530 4.666 0 40 HJAB CC(C)[C@@H](NC(=O)c1ccoc1CN1CCCCC1)c1ccc2c(c1)OCCCO2 19445847 UMWINNDUCOVNBH-HSZRJFAPSA-N 412.530 4.554 0 40 HJAB Cc1scc(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c3ccncc32)c1C 19561971 UORJVQFMBPORPI-UHFFFAOYSA-N 407.470 4.723 0 40 HJAB O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 19715099 SESSVEMTOJBUBQ-FQEVSTJZSA-N 420.534 4.878 0 40 HJAB Cc1ccc2c(c1)cc(C(=O)N1CCC(CC(=O)N[C@@H](C)c3ccccc3)CC1)n2C 19748626 KVZFKZNRQXMMTP-IBGZPJMESA-N 417.553 4.606 0 40 HJAB Cc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc2c(c1)NC(=O)[C@H](C)O2 19796605 MIQQJRCODREQTN-JTQLQIEISA-N 413.886 4.744 0 40 HJAB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(O)=N2 20719474 FKMNLFKVXSJRJR-HNNXBMFYSA-N 406.298 4.702 0 40 HJAB O[C@@]1(c2ccc(Cl)cc2)CN(c2ccc(Br)cc2)C2=[N+]1CCCCC2 22408041 XQDBIZRRKGEYQS-HXUWFJFHSA-N 420.758 4.753 0 40 HJAB COc1ccc(Oc2cc(N[C@H](C(=O)NC3CC3)c3ccccc3)ccc2OC)cc1 22421180 FIPYHXNFJIBVDJ-DEOSSOPVSA-N 418.493 4.928 0 40 HJAB CCCOc1c(Br)cc(C(=O)Nc2ccc(OC)cc2OC)cc1OC 26813680 ZTBGIHMMUKFUJB-UHFFFAOYSA-N 424.291 4.516 0 40 HJAB CCOC(=O)CNC(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)nn1-c1ccccc1 27987075 NGBCFLVVSCHRSY-UHFFFAOYSA-N 420.513 4.521 0 40 HJAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(Br)cc1 28091673 DYDKTXAZXKWCAN-HXUWFJFHSA-N 423.310 4.949 0 40 HJAB CCCc1noc(CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)n1 29235342 HIFXAXLOAGKEKU-UHFFFAOYSA-N 412.902 4.667 0 40 HJAB COc1ccc(NC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)c(OC)c1 32659237 KKXFTGGUWUPFNZ-UHFFFAOYSA-N 414.465 4.567 0 40 HJAB COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)/C2=C/c1ccc(C)s1 33039429 VKWSVVCVMCCQGQ-CPNJWEJPSA-N 405.475 4.801 0 40 HJAB Cc1c(-c2cc(C(=O)NCC(C)(C)c3cccc(F)c3)c3ccccc3n2)cnn1C 35316597 JPYXUBUAFYJKOV-UHFFFAOYSA-N 416.500 4.790 0 40 HJAB CCCC(=O)c1cn(CC(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)c2ccccc12 35511660 DXHXQSPQAOYSRX-QGZVFWFLSA-N 420.509 4.663 0 40 HJAB O=C(Nc1cc(F)c(F)c(F)c1)[C@@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 35684757 QXRQCXMJZSVENR-HNNXBMFYSA-N 420.778 4.792 0 40 HJAB Cc1ccc([C@](O)(CCNC(=O)N[C@H](C)c2cc3ccccc3o2)C(F)(F)F)o1 36744409 LVHNYGCQZGVMKX-BFUOFWGJSA-N 410.392 4.535 0 40 HJAB Cc1nc2nc3ccn(CCC4=CCCCC4)c(=O)c3c(-c3cccc(Cl)c3)n2n1 40398371 TWHGLMPZRAHTHP-UHFFFAOYSA-N 419.916 4.959 0 40 HJAB CCOc1ccc(CCC(=O)NCCSCc2ccc(C)cc2)cc1OCC 44849748 ZYQBCFMLWCBLHE-UHFFFAOYSA-N 401.572 4.775 0 40 HJAB O=C(O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Sc1nc2ccccc2[nH]1 51125235 YQRGMWGRPVHREA-WQRHYEAKSA-N 407.407 4.949 0 40 HJAB COc1cccc2cc([C@@H](C)NC(=O)c3cc(Br)cnc3Cl)oc12 58225871 ODQMTVUUSBVTJI-SECBINFHSA-N 409.667 4.743 0 40 HJAB Cc1ccc(C(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)o1 65936280 YCBZFKOVSWRMQY-UHFFFAOYSA-N 403.251 4.727 0 40 HJAB Cc1ccc(OCc2nnc(SCc3nc(O)c4oc5ccccc5c4n3)o2)cc1 69949288 FSXYTMSDIHUGQG-UHFFFAOYSA-N 420.450 4.644 0 40 HJAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3ccc4[nH]ccc4c3)C2)cc1 72346264 MGASDUBDTOFMPG-HXUWFJFHSA-N 413.525 4.595 0 40 HJAB O=C(Cc1cccnc1)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 72349414 KPTACVQUODYUTJ-UHFFFAOYSA-N 405.929 4.670 0 40 HJAB Cc1nc(CC(=O)N2CCC(c3cccc(Cc4ccccc4C)n3)CC2)cs1 72350058 OELNBIZYHGCPBV-UHFFFAOYSA-N 405.567 4.694 0 40 HJAB Cn1cc(CN2CCC[C@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cn1 72358133 DVAYMWBIQPAICT-NRFANRHFSA-N 400.448 4.762 0 40 HJAB Cc1ccc(NC(=O)c2nc(C(F)(F)F)[nH]c2C(=O)Nc2ccc(C)cc2)cc1 72424476 KYQQPGPCCXGRGA-UHFFFAOYSA-N 402.376 4.550 0 40 HJAB O=C(c1cc2cc(Br)ccc2o1)N1CCC([C@H](O)c2ccccc2)CC1 84522215 SSVYPKATBAAXAS-HXUWFJFHSA-N 414.299 4.781 0 40 HJAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n([C@@H]3C(=O)Nc4ccccc43)n2)cc1 95554211 BEMQYFVWORCCOB-DEOSSOPVSA-N 411.461 4.776 0 40 HJAB CC(C)CN(CC(C)C)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 98072986 FYTBCORWAYWVJK-UHFFFAOYSA-N 416.303 4.771 0 40 HJAB CCc1ccccc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 98072997 GEIZMPGZSLJJSH-UHFFFAOYSA-N 408.239 4.831 0 40 HJAB CN(Cc1ccc2c(c1)OCO2)C(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 103107351 XHEDQBJBXAJRHV-WSQGFLFRSA-N 403.522 4.912 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)c3ncc(-c4ccc(F)cc4)o3)cs2)cc1 206587816 UYFCDQVJKXPYDY-UHFFFAOYSA-N 423.469 4.585 0 40 HJAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)NC[C@H]1CCCN1c1nccs1 206779455 ICAZTZBMCVGATB-CYBMUJFWSA-N 417.884 4.533 0 40 HJAB CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc2c(c1)CCCC2 223023552 TULHPBMEXPAYPB-UACNQURRSA-N 409.526 4.872 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 223027855 YSTYXFKEQIAZHN-IAGOWNOFSA-N 418.990 4.764 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3)c2)cc1 224089310 ZZQJWSTZRREDCY-UHFFFAOYSA-N 405.450 4.703 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(OC)c(COc3cccc(OC)c3)c2)cc1 224254911 WTECSWQEUWSVFV-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB COc1ccc(S(=O)(=O)N(C)c2ccc(OCc3ccccc3)cc2)cc1Cl 224961365 DQBYCBMTYGLZMW-UHFFFAOYSA-N 417.914 4.753 0 40 HJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](CC)c2ccc(OC)cc2)cc1Cl 225489901 UBOPQUXPBSEHIX-SFHVURJKSA-N 406.935 4.963 0 40 HJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225689376 JTXRALHNYLETBB-DEOSSOPVSA-N 404.595 4.967 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(C(=O)O)o3)ccc2C)cc1 226355713 YOAYQBGMIAYSJV-UHFFFAOYSA-N 408.479 4.642 0 40 HJAB C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2)c1ccc(F)c2ccccc12 578256751 SCSYWYRSQJQVFM-SZMVWBNQSA-N 406.505 4.894 0 40 HJAB O=C(O)c1ccccc1CN1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 585183192 JQDRMZZOLAPXEJ-GOSISDBHSA-N 410.901 4.997 0 40 HJAB Cn1ccnc1[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc(F)c1 685519194 YZASMSVKESTYNK-GBESFXJTSA-N 417.406 4.587 0 40 HJAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(CC3CCC3)C[C@H]2C[C@@H]1Oc1ccccn1 2332242582 BCHIJUAQNLYHNW-JQOLTRQRSA-N 416.569 4.870 0 40 HJAB Cc1nc(SCC(=O)Nc2c(F)cccc2F)c2c3c(sc2n1)CCCC3 719559 KFIFCSPWGVOEKD-UHFFFAOYSA-N 405.495 4.888 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 1389899 SBNBABZHHCTYEC-INIZCTEOSA-N 424.309 4.569 0 40 HJAB CCCCCCSc1nnc2n(C)c(=O)c3c4c(sc3n12)CO[C@@](C)(CC)C4 1785951 RZTQGDNALOJWPV-FQEVSTJZSA-N 420.604 4.557 0 40 HJAB COc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 2068299 XHOOIWRUHWYAGI-UHFFFAOYSA-N 417.461 4.507 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)c(C)c1 2352988 ZNPGWCRADBBWHV-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB O=S(=O)(Nc1nc2ccccc2nc1NCc1ccccc1)c1cccc(Cl)c1 2377286 MRGOTPSKIMYTFI-UHFFFAOYSA-N 424.913 4.696 0 40 HJAB CCCOc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 2502547 VCHBRQAKDFFHRI-QHCPKHFHSA-N 408.523 4.791 0 40 HJAB FC(F)Oc1ccccc1[C@@H]1C[C@H](c2cccc(Br)c2)Nc2ncnn21 2918220 ORFFTVRLIRPJRA-CABCVRRESA-N 421.245 4.788 0 40 HJAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ncc(Cl)cc1Cl 3256910 HWRSSQYFTBMRIE-UHFFFAOYSA-N 415.276 4.780 0 40 HJAB COc1ccc2nc(NC(=O)CCCOc3cccc(Br)c3)sc2c1 3360264 GUBHSZAIKNCJQX-UHFFFAOYSA-N 421.316 4.865 0 40 HJAB COc1ccc2c(c1)-c1nc(NC(=O)c3cc(Cl)ccc3OC)sc1CC2 3651759 LISGBPNEFPKBRT-UHFFFAOYSA-N 400.887 4.832 0 40 HJAB O=C(CCn1c(=O)sc2ccccc21)N(Cc1ccccc1)Cc1ccccc1 4121588 DIUJWSSYQSYDGM-UHFFFAOYSA-N 402.519 4.682 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)CCS(=O)(=O)c3ccccc3)n2)c(C)c1 4325500 LGFJGMHUPXQMGC-UHFFFAOYSA-N 414.552 4.538 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCCC3)n2-n2cccc2)c1 4518678 WGINBASYKOCNEV-UHFFFAOYSA-N 409.559 4.786 0 40 HJAB CCC[C@@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1 5262544 MKPYPPSUGDYTNR-GOSISDBHSA-N 406.511 4.968 0 40 HJAB COc1ccc(CCNCc2ccc(OCc3ccc(Cl)nc3)c(OC)c2)cc1 5321683 HYVRAAATKIOUPK-UHFFFAOYSA-N 412.917 4.664 0 40 HJAB O=C(N[C@H](CSC(c1ccccc1)c1ccccc1)C(=O)O)OCc1ccccc1 5603333 DETYTTPLYPPXAB-OAQYLSRUSA-N 421.518 4.889 0 40 HJAB C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2)CCN1C(=O)Nc1ccc(Cl)cc1 5673038 NWQBJXKJPCWMKA-CYBMUJFWSA-N 407.301 4.764 0 40 HJAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 5719015 FYXYUXAHVDNUJS-OAHLLOKOSA-N 409.511 4.926 0 40 HJAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 6164528 FWIDPYSSYYCBEE-LAUBAEHRSA-N 421.493 4.864 0 40 HJAB O=c1oc2ccccc2c(O)c1[C@H]1c2ccccc2Oc2c1c(=O)oc1ccccc21 6576219 OALUGYLIPAUKCN-LJQANCHMSA-N 410.381 4.891 0 40 HJAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(Br)cc1 6752922 SCZYVZQKIVXKOG-IBGZPJMESA-N 412.287 4.500 0 40 HJAB O=C(Nc1ccccc1)C1CCN(C(=O)/C=C/c2cccc(Cl)c2Cl)CC1 7073568 DXBAQMCFNDCGDI-MDZDMXLPSA-N 403.309 4.884 0 40 HJAB O=C(CCCOc1ccc(Cl)cc1Cl)OCc1nnc(-c2ccccc2)o1 7778538 DVELAIIZLMVBOX-UHFFFAOYSA-N 407.253 4.946 0 40 HJAB COc1ccc(C)cc1NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21 7989864 CHANLBMTYBYZMB-UHFFFAOYSA-N 400.482 4.604 0 40 HJAB COCCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nc2ccccc21 8135072 WJCMCXXLEVYNLL-UHFFFAOYSA-N 423.538 4.717 0 40 HJAB O=C(CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)N1CCCC1 8193841 QHZUAPGTMNLXNT-UHFFFAOYSA-N 412.540 4.789 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1OCC 8294582 WPTLAIWSLYTCAW-CQSZACIVSA-N 411.420 4.759 0 40 HJAB O=C1CCCN1c1ccc(CC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc1 8405905 UAGYKDVAXBANKA-FQEVSTJZSA-N 419.550 4.719 0 40 HJAB Cc1cccc2sc(NC(=O)Cc3csc(NC(=O)c4cccs4)n3)nc12 8704383 QSNQGFOMYBIYHX-UHFFFAOYSA-N 414.537 4.556 0 40 HJAB CC(=O)N1N=C(c2cccc(O)c2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 8734902 HBSXBITXMZFPGO-VWLOTQADSA-N 422.488 4.943 0 40 HJAB CCN1C(=O)c2cc(NS(=O)(=O)c3ccc(C)c(C)c3)ccc2Oc2ccccc21 8961121 QIVCMRNSMDNVNE-UHFFFAOYSA-N 422.506 4.877 0 40 HJAB COc1cc2c(cc1NC(=O)CN1CCC[C@H]1c1cccn1C)oc1ccccc12 9442040 PKXJTLCROSDNBK-FQEVSTJZSA-N 403.482 4.709 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12 9494354 LSECTTZCWRMBDU-GARJFASQSA-N 420.888 4.672 0 40 HJAB O=C(Cc1ccc2c(c1)CCC2)Nc1ccnn1Cc1ccc(Cl)cc1Cl 14673292 YRSMVCBUITVYSX-UHFFFAOYSA-N 400.309 4.908 0 40 HJAB COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1 14705714 VNUKXQUHKMAPKB-UHFFFAOYSA-N 404.491 4.695 0 40 HJAB CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1cc2ccccc2o1 15019316 SBDLHJXRTBXQMF-OAHLLOKOSA-N 406.511 4.681 0 40 HJAB O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(F)cc1F 15437279 NOMKWIDYDCLOIS-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1CNCc1cc(Br)ccc1F 15582127 SVWLLOQKXSAYFA-UHFFFAOYSA-N 402.311 4.740 0 40 HJAB COc1cn(CC(=O)Nc2c(C)cc(C)cc2C)c(CSc2ccccc2)cc1=O 15824545 KEBSOSYXSYVEFQ-UHFFFAOYSA-N 422.550 4.713 0 40 HJAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)COc2ccc(Cl)cc2)cc1 17094144 RFBALFUDWKHRKV-UHFFFAOYSA-N 424.884 4.524 0 40 HJAB CCn1ncc(-c2cc(C(=O)Nc3ccc4c(c3)ncn4C3CCCCC3)on2)c1C 19665041 VROFPUICWISOIS-UHFFFAOYSA-N 418.501 4.974 0 40 HJAB COc1cccc(-c2nnc(CSc3nnc(-c4ccc(Cl)cc4)o3)o2)c1 19928742 FFCXJNCOMSSOLB-UHFFFAOYSA-N 400.847 4.741 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)CSc4ccccc4)cc3n2)cc1Cl 20610809 XJEPMOPKZGKJNA-UHFFFAOYSA-N 424.913 4.813 0 40 HJAB COc1ccc([C@H](C)NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1F 21465573 QXZRYWCOZGGPOP-LBPRGKRZSA-N 404.388 4.578 0 40 HJAB CCn1cc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)c2cc(C(F)(F)F)ccc21 22237038 GWPNCISKAVVZFG-LJQANCHMSA-N 414.427 4.848 0 40 HJAB O=C(CN1CCN(C23CC4CC(CC(C4)C2)C3)CC1)Nc1cc(Cl)cc(Cl)c1 23477218 ZHBSZCIWVYDYNM-UHFFFAOYSA-N 422.400 4.518 0 40 HJAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](NC(=O)c1ccco1)c1ccccc1 24842446 FWSXRMACSPNDER-IBGZPJMESA-N 417.292 4.716 0 40 HJAB CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 24885858 JXFOQXGRVLUJBN-UHFFFAOYSA-N 424.400 4.589 0 40 HJAB COc1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1OC1CCCC1 24930812 CCQNBUDQSDVCJU-UHFFFAOYSA-N 413.499 4.699 0 40 HJAB CCOc1ccc(-c2nc(NC(=O)c3cncc(Br)c3)sc2C)cc1 27757269 CUBNPTLUKFNEML-UHFFFAOYSA-N 418.316 4.927 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2CC(C)C)c(F)c1 32579575 JPYWLEGEHWRJQV-UHFFFAOYSA-N 416.497 4.919 0 40 HJAB CCc1ccc(OCc2ccc(-c3nnc(S)n3CCCN(CC)CC)o2)cc1 33523443 YQKBSCRTYUZFMH-UHFFFAOYSA-N 414.575 4.700 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 35146040 AGTDREYQYHSVCO-LJQANCHMSA-N 418.921 4.697 0 40 HJAB O=C(/C=C/c1cccs1)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1 39744499 BXDWPIJMNKQBTP-OUKQBFOZSA-N 416.462 4.702 0 40 HJAB CCOc1ccc(-n2c(N)c(C(=O)Nc3ccccc3OC)sc2=S)cc1 39994413 XFTIAXFIMAFXGH-UHFFFAOYSA-N 401.513 4.510 0 40 HJAB CCN1CCN(c2ccccc2NC(=O)N(C)Cc2cccc(Cl)c2Cl)CC1 40103964 HZDRZKWTSINPCE-UHFFFAOYSA-N 421.372 4.799 0 40 HJAB C[C@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)c1nc(C(C)(C)C)no1 44089195 RWBIHNNLVWJSCX-OLZOCXBDSA-N 418.542 4.563 0 40 HJAB Cc1sc(NC(=O)c2ccccc2)c(CN2CCN(c3ccccc3)CC2)c1C 54105765 MTGCLPBPVVKTLK-UHFFFAOYSA-N 405.567 4.939 0 40 HJAB CCOC(=O)Nc1ccc(NC(=O)CSCc2cc(-c3cccs3)on2)cc1 58245700 RNUXYVBCOCAJQG-UHFFFAOYSA-N 417.512 4.843 0 40 HJAB CSc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c1 67293239 YFMAPFLERYDCNM-GYHWCHFESA-N 403.463 4.740 0 40 HJAB CC(C)(C)c1nnc(CN2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)o1 69952134 YUOADNHURWYLJJ-NRFANRHFSA-N 424.589 4.664 0 40 HJAB O=C(O)c1ccc([C@H]2SCC(O)=Nc3c2c(O)nn3C2CCCCCC2)cc1 79491573 KXGKZFBQOAVYSF-QGZVFWFLSA-N 401.488 4.606 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@](C)(C3=O)C4(C)C)cc2)cc1 101095196 BYFBCOKCUCFFQU-CPJSRVTESA-N 420.509 4.653 0 40 HJAB Cc1ccc(C)c([C@@H]2C[C@H]3C[C@H]2[C@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)c1 102638592 DVHJAOIKKDPRIM-UURVTBTISA-N 424.338 4.995 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 223024823 VHZIKNGIUZXWHI-LJQANCHMSA-N 405.922 4.918 0 40 HJAB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(Br)c1 223205530 WWYFBGVZXHSEJU-AWEZNQCLSA-N 402.332 4.756 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 223591158 MTVCCEYNYAYBPM-NRFANRHFSA-N 400.950 4.606 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 223653234 ABWUCPFFQYGRFN-QHCPKHFHSA-N 424.585 4.714 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 223905005 MVUPUFXRKNEWMJ-INIZCTEOSA-N 421.368 4.788 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 224337088 XKYVHIQBIOFKRZ-NRFANRHFSA-N 400.950 4.525 0 40 HJAB CCN(c1ccc(C(=O)NCCC2=CCCCC2)cc1)S(=O)(=O)c1ccccc1 224359019 VXLNBZFUXLPKCE-UHFFFAOYSA-N 412.555 4.522 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 224659224 PEMPIIMFVFTYAH-DEOSSOPVSA-N 408.586 4.734 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1C 225378942 UKLPPUHXVNKPHY-RUZDIDTESA-N 420.597 4.836 0 40 HJAB COc1ccc(Br)c(C(=O)NCc2ccnc(-c3ccsc3)c2)c1 225755257 JQXAGSYZFOEJJA-UHFFFAOYSA-N 403.301 4.511 0 40 HJAB CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2nnc(-c3nccc4ccccc34)o2)no1 257220534 DLDIZWQHLABFAX-GOSISDBHSA-N 417.469 4.764 0 40 HJAB OCc1cc(Br)cc(Br)c1OCc1ccccc1Cl 312029411 YMHQZKVTRMSNQZ-UHFFFAOYSA-N 406.501 4.936 0 40 HJAB O=C(c1ccc(F)cc1Cl)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390830832 NSTFCENUWJFWKV-UHFFFAOYSA-N 403.807 4.779 0 40 HJAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2C)CC1 408709183 PIEORSOXKDBMMJ-UHFFFAOYSA-N 409.368 4.807 0 40 HJAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2cc(Br)ccc2O)S1 408810079 IDKVOTKWKIMWNU-UHFFFAOYSA-N 424.727 4.880 0 40 HJAB Cc1nn(CCNC(=O)COc2ccc(Cl)cc2Cl)c(C)c1-c1ccsc1 575615598 RBQAJJYVOXSJCP-UHFFFAOYSA-N 424.353 4.730 0 40 HJAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@]2(CCCN2C[C@H]2CCCO2)CC1 585100116 FZISPMPHDNIOLO-ATIYNZHBSA-N 423.601 4.517 0 40 HJAB O=C(CCC1CCCCC1)N1CCOCCOc2ccccc2Oc2ncccc2C1 643573471 FVKJJGRENRTGGY-UHFFFAOYSA-N 424.541 4.972 0 40 HJAB CCCCC(=O)N1CCC[C@]2(CCCCCCOc3ccccc3C(=O)NC2)C1 643589610 UNEBUBCQNSHDKL-DEOSSOPVSA-N 400.563 4.558 0 40 HJAB O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1ccccc1Br 829612 BKBGOSYIWTVACM-NTEUORMPSA-N 407.061 4.556 0 40 HJAB CCOC(=O)c1c(NC(=O)CC)sc2c1CC[C@@H](Sc1ccccc1)C2=O 846745 MYJPLTUPQWUJOI-CQSZACIVSA-N 403.525 4.563 0 40 HJAB Cc1ccc(-c2csc3nnc(SCCC(=O)NCCc4ccccc4)n23)cc1 937511 DWOXKUNVRHPVDL-UHFFFAOYSA-N 422.579 4.607 0 40 HJAB Cc1c(C)c2ccc(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(C)c2oc1=O 2092286 UCFQLYRHLIGVIB-KRWDZBQOSA-N 417.502 4.563 0 40 HJAB biogenic CCCCn1nc(NC(=O)c2cccc(OC)c2)c2cc3cc(OC)ccc3nc21 2209323 ZACSSKYNOQBPRZ-UHFFFAOYSA-N 404.470 4.654 0 40 HJAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccn2)cc1 2342763 JQQKRPQXBHGBDQ-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB CC(C)(C)c1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)cc1 2655422 TXJMWGPKEVHHQL-UHFFFAOYSA-N 408.325 4.807 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1nccn1-c1cccc(Cl)c1 2723676 WTLNUXYNRDTCCI-UHFFFAOYSA-N 408.310 4.919 0 40 HJAB O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)NC1CCCC1 3227919 JKXNOGJRZUNUDM-UHFFFAOYSA-N 408.885 4.771 0 40 HJAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)Nc1ccccc1OC(F)F 3285533 TURXSFXLHFPSJQ-CMDGGOBGSA-N 415.314 4.502 0 40 HJAB COc1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1OCc1c(C)noc1C 3302538 JEMFYJAOHUASDU-NRFANRHFSA-N 406.482 4.686 0 40 HJAB CCOc1ccccc1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 3318685 GIPMKAJQGRDGFO-UHFFFAOYSA-N 407.850 4.888 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1 3621412 XVLCMSDALYZLHG-UHFFFAOYSA-N 416.300 4.783 0 40 HJAB CN(C)CCN(C(=O)CCSc1ccccc1)c1nc2ccc(F)cc2s1 4359178 MIKYQDQUWIBDIU-UHFFFAOYSA-N 403.548 4.512 0 40 HJAB COC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)n(C)c2ccccc12 4731401 KMXMVYHIHXHCER-RUZDIDTESA-N 410.473 4.564 0 40 HJAB Cc1cccc(-n2c(/C=C3\C(=O)N(C(C)C)c4ccccc43)nc3ccccc3c2=O)c1 4785154 IKFLEHSUQKGHQR-JWGURIENSA-N 421.500 4.990 0 40 HJAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@H]1c1ccc(C)cc1 4816768 ISPUYZJONSSFCV-FCHUYYIVSA-N 404.514 4.853 0 40 HJAB Cc1ccccc1NC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 5237631 VLNBYXHAMZBMEG-UHFFFAOYSA-N 407.520 4.691 0 40 HJAB COc1ccc(C2=C/C(=C3/N=C(c4ccc(F)cc4)OC3=O)c3ccccc3O2)cc1 5450756 RAILHQYAQPCRHQ-ATJXCDBQSA-N 413.404 4.983 0 40 HJAB CC(C)COC(=O)N[C@@H](C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)C(C)C 5454078 JZWTZKKTSOYQFB-HXUWFJFHSA-N 423.598 4.597 0 40 HJAB CCc1nc(SCC(=O)Nc2ccc(N(C)C)cc2)c2oc3ccccc3c2n1 5485137 LGUWDJOGHZZBKS-UHFFFAOYSA-N 406.511 4.735 0 40 HJAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc(Cl)ccc2OC)c1 6386516 KCSYAWPRJRBRCE-UHFFFAOYSA-N 419.934 4.604 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccc(Cl)c(C)c3)n2)cc1 6507433 MPGFIIQTTITVEX-UHFFFAOYSA-N 415.902 4.748 0 40 HJAB Cc1cccc(-n2nnnc2SCc2ccc(C(=O)Nc3ccccc3)cc2)c1C 6651568 VCRJQHIHCYTQMJ-UHFFFAOYSA-N 415.522 4.824 0 40 HJAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(N4CCCCCC4)cc3)n2)cc1 7485659 WHNCGXSTBPESKI-UHFFFAOYSA-N 421.570 4.891 0 40 HJAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccc(C)o2)cc1 7718749 HOPNKSWWEKAINP-UHFFFAOYSA-N 404.495 4.940 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1 8120169 SACJLEAPKZJENF-UHFFFAOYSA-N 417.340 4.866 0 40 HJAB O=C(NCc1ccccc1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 8476797 TVARSUKTIULRRW-UHFFFAOYSA-N 406.848 4.657 0 40 HJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 8844284 ZCLVNKGDLRJDLT-AWEZNQCLSA-N 423.922 4.770 0 40 HJAB CCN1C(=O)c2cc(NS(=O)(=O)Cc3cccc(C)c3)ccc2Oc2ccccc21 8961169 NYNXUYMXPCTRGK-UHFFFAOYSA-N 422.506 4.709 0 40 HJAB Cc1cc(C)nc(SCc2nc3cc(NC(=O)NC4CCCCC4)ccc3n2C)n1 8992935 IULZTDLUWJYBDD-UHFFFAOYSA-N 424.574 4.727 0 40 HJAB Cc1ccccc1NC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 9250368 JOZDQDPQXJFTRM-UHFFFAOYSA-N 420.534 4.933 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)c3ccc(C)cc3)c3ncnn32)cc1 9288972 ZFQYQAOTOKLACP-RPWUZVMVSA-N 424.504 4.976 0 40 HJAB CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C1=O 9667909 WFTPGVVUMXJPID-OVCLIPMQSA-N 411.672 4.748 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccc(C)cc2)cc1 10060275 BFNOXHJECMWYKS-RPWUZVMVSA-N 424.504 4.976 0 40 HJAB CC(C)n1ncc2c(C(=O)N[C@@H]3CCSc4c(F)cccc43)cc(C3CC3)nc21 12622140 MTVIKGYFOHGZNV-GOSISDBHSA-N 410.518 4.996 0 40 HJAB Cc1sc2nc(SC[C@H]3CCCO3)n(-c3ccc(Cl)cc3)c(=O)c2c1C 12780519 VDXCSQXYXIQESD-OAHLLOKOSA-N 406.960 4.989 0 40 HJAB CC(C)C(=O)Nc1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1 12801641 FXLMVURUGDZJMI-UHFFFAOYSA-N 414.465 4.979 0 40 HJAB CC(C)Cc1ccc([C@H](C)NCCS(=O)(=O)c2ccc(Br)cc2)cc1 12976472 PHHMILDGXLPXJZ-INIZCTEOSA-N 424.404 4.772 0 40 HJAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccc(Cl)cc1Cl 13016341 XFQWDDVUAPANPX-UHFFFAOYSA-N 422.337 4.742 0 40 HJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 13710000 SRCSMROVHHBHHL-MRXNPFEDSA-N 400.906 4.762 0 40 HJAB CCCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccoc1C 14064173 KJENJDYHXFZHPD-UHFFFAOYSA-N 413.528 4.597 0 40 HJAB CCN(C(=O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21)c1ccccc1 14135958 NKMSHLRYPACYAY-UHFFFAOYSA-N 412.489 4.956 0 40 HJAB COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)cc1OC 15081442 IOMIPAVIYYEXFK-AWEZNQCLSA-N 409.463 4.605 0 40 HJAB O=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1ccc(N2CCCC2=O)cc1 16109894 IZPPORVTRXYYRD-UHFFFAOYSA-N 411.914 4.772 0 40 HJAB O=C(Nc1ccc(I)cc1F)c1ccc(Cl)cc1Cl 17088385 BUTIFNXWGHNBIT-UHFFFAOYSA-N 410.013 4.989 0 40 HJAB COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 17091289 UJUYBPXGXLSMII-UHFFFAOYSA-N 417.962 4.712 0 40 HJAB CCC(=O)N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2Cl)CC1 17092848 VIBCCPINVLSMGA-UHFFFAOYSA-N 421.928 4.804 0 40 HJAB Cc1ncc(-c2ccncc2)c(CN(Cc2ccccc2)C(=O)c2ccccc2F)n1 19287009 MFLXLGNTYGSBDF-UHFFFAOYSA-N 412.468 4.829 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1cnc(C(C)C)nc1)CC2 19454114 GUQVJHXLNYGNNZ-XMMPIXPASA-N 403.526 4.765 0 40 HJAB CCn1cc(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)c(C)n1 19694345 LLAUMXMLTMZYAY-JOCHJYFZSA-N 422.552 4.601 0 40 HJAB COc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccc(F)cc4)nc3C2)c(OC)c1 20101965 CWEQFIHRZZNPBM-AWEZNQCLSA-N 407.445 4.598 0 40 HJAB CC(C)N1C=C(Cc2ccc(F)cc2)C2=C(C1)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 20459292 FADZMELJKLGBMW-HSZRJFAPSA-N 419.475 4.877 0 40 HJAB O=C(NCCC1=CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20490989 PHGHAIKXPRFUFQ-UHFFFAOYSA-N 418.946 4.761 0 40 HJAB CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nccn2-c2ccc(Cl)cc2)cc1 26042477 NOBVWGGHKSSFLB-AWEZNQCLSA-N 413.930 4.698 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2C(C)(C)C)cc1 27912642 GMDDHZOMMDWTLT-UHFFFAOYSA-N 413.514 4.967 0 40 HJAB C[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)c1cccc(NC(=O)c2ccccc2)c1 32740215 KMIZDSQJJUPKKC-QGZVFWFLSA-N 412.493 4.625 0 40 HJAB C[C@H](C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1)n1cccn1 32832803 GUYBAFOJPPMNLJ-GFCCVEGCSA-N 403.269 4.642 0 40 HJAB Cc1ccc(-c2cc3c(N4CCN(c5cccc(C)c5C)CC4)nccn3n2)cc1C 33048717 GAEYLPKQFKQSLX-UHFFFAOYSA-N 411.553 4.957 0 40 HJAB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1ccc(Br)o1 35647017 RZDXZLKFKCBUFE-XFFZJAGNSA-N 417.206 4.953 0 40 HJAB Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2ncn(Cc3ccccc3)c(=O)c12 35672414 QEDMTRJOYKTRCH-UHFFFAOYSA-N 409.898 4.720 0 40 HJAB COc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1OC 36246360 PYABAFUOLZATJA-UHFFFAOYSA-N 417.914 4.753 0 40 HJAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)c(Cl)c2)cc(OC)c1O 36359867 HBMNPORJVIAARC-LBPRGKRZSA-N 417.824 4.511 0 40 HJAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 39763841 PFPZYBTYCYCCKQ-KRWDZBQOSA-N 402.941 4.829 0 40 HJAB CN(C)[C@@H](CNC(=O)c1ccccc1SCc1cscn1)c1cccc(F)c1 40050997 ZUBQFKRNFOHYDU-IBGZPJMESA-N 415.559 4.607 0 40 HJAB Cc1nn(Cc2ccccc2)c(Cl)c1CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 40153568 NYCXYLPFLAMEEU-SFHVURJKSA-N 420.948 4.667 0 40 HJAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c(C)c1 44912106 ZMSQAFFFWPZESG-UHFFFAOYSA-N 414.933 4.676 0 40 HJAB Cc1nn(-c2ccc(Nc3ccc(NC(=O)/C=C/c4ccco4)cc3)nn2)c(C)c1C 48985225 FNIUPPPRPNYCCY-JLHYYAGUSA-N 414.469 4.576 0 40 HJAB CC(=O)N1CCC(N(Cc2ccc3c(c2)CCO3)Cc2cccc3ccccc23)CC1 58003003 FAJRDHRJTOXLOZ-UHFFFAOYSA-N 414.549 4.788 0 40 HJAB CCCCc1ccc(NC(=O)CSc2nc3ccccc3n3c(C)nnc23)cc1 64949033 DVLIFPQICVUEAA-UHFFFAOYSA-N 405.527 4.659 0 40 HJAB Cc1c(CNC(=O)Cc2noc3ccccc23)sc2nc(-c3ccc(F)cc3)cn12 90593755 NDHYXPJHPMMBQS-UHFFFAOYSA-N 420.469 4.510 0 40 HJAB CCOc1ccc(/C=C2/CN(CC)Cc3c2nc2ccccc2c3C(=O)O)cc1OC 97993215 DAHMRJQFFHIZQV-ATVHPVEESA-N 418.493 4.716 0 40 HJAB Cc1ccc([C@H](F)[S@@](=O)(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 100258997 QYIORVVFWWAAOH-FQRUVTKNSA-N 403.500 4.879 0 40 HJAB C[C@H](NC(=O)CSc1ccccc1C(=O)NCc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 104751149 IYGPFJVTDNCUNW-WCCBULMPSA-N 422.594 4.650 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1ccncc1 222907987 CVCNYHKNGDTGFK-DHIUTWEWSA-N 419.598 4.572 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 222983858 GZFBVEAJLJIFOR-FQEVSTJZSA-N 412.599 4.644 0 40 HJAB CCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COc1ccccc1C 224377751 XESWSHJYICSXGC-UHFFFAOYSA-N 419.477 4.631 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(-n2ccnc2C)cc1 224914699 LQUJUEDJYWBBCN-XMMPIXPASA-N 403.526 4.533 0 40 HJAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 257254040 KBILIJHDADNRNL-HYBUGGRVSA-N 418.581 4.605 0 40 HJAB Cc1cccc(N2C[C@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)c1 408638132 BJICJKPFIZUFPY-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)c1 408640802 IUQZJJGLZPZEFC-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C 573833365 ROSDFSODNGKBSD-MGPUTAFESA-N 409.917 4.696 0 40 HJAB C[C@H](c1ccccc1)N1C[C@@]2(COCCN(c3ccc4ccccc4c3)C2)CC1=O 585104117 JBNGDROJXZCCIX-FQRUVTKNSA-N 400.522 4.656 0 40 HJAB O=C(Cn1cc(C(F)(F)F)cn1)N1CCCCCCCc2ccccc2OCCC1 643584288 LPBRWLGQBBOXSC-UHFFFAOYSA-N 423.479 4.706 0 40 HJAB O=C(CN1CCN(CC2CC2)c2ccccc21)Nc1ccc(SC(F)F)cc1 1167948660 AMDIYFVYJWEDGE-UHFFFAOYSA-N 403.498 4.676 0 40 HJAB O=C(Oc1ccc(Cl)c2cccnc12)c1ccc(I)cc1 844663 YLNVIPKDACRSCF-UHFFFAOYSA-N 409.610 4.712 0 40 HJAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1 856404 SJLHKUGLWRUANM-UHFFFAOYSA-N 410.282 4.686 0 40 HJAB CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc2ccc(OC)cc2nc1Cl 1295138 ZMXFDDVFLRHVPL-NRFANRHFSA-N 423.900 4.993 0 40 HJAB Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(Cl)cc2)c(C)c1 1513041 HADSKCIKIZTSFM-UHFFFAOYSA-N 418.880 4.857 0 40 HJAB COc1ccc(N2C(=O)C(NC3CCCCCC3)=C(Sc3ccccc3)C2=O)cc1 1786234 LCQKBUHREJGSQX-UHFFFAOYSA-N 422.550 4.885 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)O)cc1 2062754 TTZTVBWZYPCYEB-UHFFFAOYSA-N 410.253 4.901 0 40 HJAB O=c1cc(CNc2ccc3c(c2)OCCO3)c2cc(O)c(-c3ccccc3)cc2o1 2114470 CBOBQOUSKYFFES-UHFFFAOYSA-N 401.418 4.549 0 40 HJAB biogenic Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2)n1 2413023 VCZCDVJLQANHGQ-KRWDZBQOSA-N 408.866 4.961 0 40 HJAB CCOc1ccc(-n2c(CSc3ncccn3)nnc2S[C@H](C)CC)cc1 2706123 QOTRRFYOKNYMPP-CQSZACIVSA-N 401.561 4.639 0 40 HJAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccc(F)c(F)c1F 3227922 VRRPIPVPFZFYHJ-UHFFFAOYSA-N 413.351 4.523 0 40 HJAB O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)NC1CCCCCC1 3287053 WDYFXXARXYSEOC-UHFFFAOYSA-N 417.509 4.535 0 40 HJAB CC(=O)c1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(Cl)cc3s2)cc1 4359645 NXLRTZVBTVGAJD-UHFFFAOYSA-N 415.946 4.751 0 40 HJAB COc1ccc(CCNCc2ccc(OCc3ccccc3)c(OC)c2)cc1OC 4505542 PQIIZICBLXVLEN-UHFFFAOYSA-N 407.510 4.624 0 40 HJAB COc1ccccc1Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1 4861649 SJBRJWVOUSMLOU-UHFFFAOYSA-N 412.898 4.526 0 40 HJAB CCc1nnsc1C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 4941909 VMWVUZGCVONNEE-UHFFFAOYSA-N 411.870 4.983 0 40 HJAB CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1ccc(C)cc1 4964648 GNCATWHPGYJEDW-FQEVSTJZSA-N 422.554 4.539 0 40 HJAB Cc1cccc2sc(NC(=O)c3cccn(Cc4ccc(Cl)cc4)c3=O)nc12 5269426 XBBSKXVNUSNPNU-UHFFFAOYSA-N 409.898 4.720 0 40 HJAB COc1ccccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 5750761 IQZAVKIXQNYLMR-GOSISDBHSA-N 410.857 4.698 0 40 HJAB CCc1ccccc1OCC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C 7063345 XSNPBTNMCQRYSE-UHFFFAOYSA-N 413.905 4.768 0 40 HJAB CCCCc1ccc(NC(=O)c2c[nH]c3c(c(C)nn3-c3ccccc3)c2=O)cc1 7424019 OGHVRLCNLARPKX-UHFFFAOYSA-N 400.482 4.617 0 40 HJAB COc1ccc(-c2csc3ncnc(N(C)C[C@H]4COc5ccccc5O4)c23)cc1 7780972 GYBQJAXBUXMDKO-KRWDZBQOSA-N 419.506 4.643 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)o2)cc1 7826944 BSXZELQJRKIQAX-HNNXBMFYSA-N 423.538 4.594 0 40 HJAB CCOc1ccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)[nH]n2)cc1 7998480 VWLBXTKMJMPSCE-UHFFFAOYSA-N 411.259 4.955 0 40 HJAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc(N3CCCC3)cc2)cc1 8161517 APYAWANKTRHHCI-XMMPIXPASA-N 407.558 4.851 0 40 HJAB Cc1sc2nc(CSc3ccc(Cl)cc3)nc(NCC(=O)N(C)C)c2c1C 9252956 NMVCPPCKIAKYFE-UHFFFAOYSA-N 420.991 4.754 0 40 HJAB CCSc1nnc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)s1 9509398 AAJCZFHDCXAZJJ-UHFFFAOYSA-N 424.960 4.870 0 40 HJAB COc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3c(F)cc(F)cc3c2=O)cc1 9610767 BAIKCGSYPUSYQG-UHFFFAOYSA-N 419.427 4.876 0 40 HJAB CCc1ccc([C@H](NC(=O)c2cc(S(C)(=O)=O)ccc2C)c2cccs2)cc1 10447579 ONCUCAILEKWQFH-NRFANRHFSA-N 413.564 4.542 0 40 HJAB CCc1ccc(NC(=O)[C@H]2Sc3ccc(C)n3N[C@@H]2c2ccc(OC)cc2)cc1 11117547 GPXHILFORWSJLA-YADHBBJMSA-N 407.539 4.765 0 40 HJAB C[C@H]1CCc2noc(C3CCN(C(=O)c4nsc(Cl)c4Cl)CC3)c2C1 12119834 BABGCELMNGEPDB-VIFPVBQESA-N 400.331 4.583 0 40 HJAB CCc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N2CCc3ccccc3C2)s1 12537484 FGHPTFLLVIHHLS-HNNXBMFYSA-N 424.595 4.910 0 40 HJAB C[C@H]1CCc2c(sc3ncnc(N[C@H](c4ccccc4F)c4nccn4C)c23)C1 12550392 GDRMSFOPLQXULJ-ORAYPTAESA-N 407.518 4.890 0 40 HJAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2c3ccccc3C[C@@H]2C)cs1 12770038 JELQLWPNWCZALM-DBTPVHCXSA-N 403.507 4.819 0 40 HJAB COc1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc1Cl 12777676 MDICJAFIBZQICA-UHFFFAOYSA-N 402.907 4.607 0 40 HJAB O=C(Nc1ccnn1Cc1cc(Br)cs1)c1ccc2ccccc2n1 12793629 WSDDSGWTCPGUCC-UHFFFAOYSA-N 413.300 4.556 0 40 HJAB COc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 12812098 QZVXKQLHYIWYPV-INIZCTEOSA-N 419.852 4.893 0 40 HJAB CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1ccc(Cl)cc1 12999215 QODJXLZVZUSAIQ-UHFFFAOYSA-N 412.839 4.777 0 40 HJAB Cc1ccc(NC(=O)Cc2csc(SCC(=O)c3cccs3)n2)cc1F 13654103 BXUDPUKFGAXPDJ-UHFFFAOYSA-N 406.529 4.808 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c(C)c1 13999459 MRRIMLJOGCNZGN-LJQANCHMSA-N 402.494 4.812 0 40 HJAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 17093227 QXAIKVKVBFUICD-UHFFFAOYSA-N 422.554 4.531 0 40 HJAB COc1ccc(OC)c(Nc2nc(NCC(C)C)nc3c2cnn3-c2ccccc2)c1 17113276 NZXQVBLECOKVTD-UHFFFAOYSA-N 418.501 4.644 0 40 HJAB Cc1ccnc2c(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cccc12 18212950 TZXHAULOUOEUKY-XIGIHCPSSA-N 416.480 4.940 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)[C@H](C)n3nccc3C)CC2)n1 19691214 XFIJFMJXPGOGCD-SFHVURJKSA-N 406.505 4.668 0 40 HJAB COc1ccc(-c2nc3cc(NC(=O)c4ccccc4OC)ccc3o2)cc1OC 20411934 PDWKLPYFAFTFTP-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB CCc1ccc([C@@H](NC(=O)CCCn2cnc3c(C)cccc3c2=O)C(C)C)cc1 21974491 HKHNRZUVWLCHBU-QHCPKHFHSA-N 405.542 4.561 0 40 HJAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(Cc2ccccc2F)CC1 22789298 VNNIZKVVMXJMLO-HXUWFJFHSA-N 417.528 4.638 0 40 HJAB Cc1cc(C(=O)COC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c(C)n1C1CC1 23080678 AHVIMLHFKRROSQ-UHFFFAOYSA-N 420.513 4.683 0 40 HJAB C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)C12CC3CC(CC(C3)C1)C2 32939941 PELUMKMALNKBTR-HCVBEMKVSA-N 412.511 4.731 0 40 HJAB Cc1cc(C)c2c(=O)cc(CSCC(=O)Nc3cc(Cl)ccc3C)[nH]c2c1 33064100 ATUVJTQKICPDHS-UHFFFAOYSA-N 400.931 4.979 0 40 HJAB COc1ccc(-c2cc(C(=O)N3CCCCC[C@@H]3c3ccc(OC)cc3)n[nH]2)cc1 35317073 BLXDDUMFGWZVDS-HSZRJFAPSA-N 405.498 4.851 0 40 HJAB O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 35684753 BXULXCGVULNMJV-AWEZNQCLSA-N 420.778 4.792 0 40 HJAB O=C(c1cc2occc2n1Cc1ccccc1Cl)N(CCO)Cc1ccccc1 36357039 SMXTZVHUSGZBAM-UHFFFAOYSA-N 408.885 4.571 0 40 HJAB O=C(CCSCc1csc(-c2ccccc2)n1)Nc1ccc2c(c1)OCCO2 36390670 YCEYKYJUZMBTSH-UHFFFAOYSA-N 412.536 4.843 0 40 HJAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 38772236 JUNJLFNVBBUUEM-UHFFFAOYSA-N 417.870 4.720 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 46058047 VKQDNLGPZLRBRW-UHFFFAOYSA-N 408.932 4.511 0 40 HJAB O=C(CCc1ccccc1)N1CCC(Nc2ncc(C(F)(F)F)cc2Cl)CC1 52314877 RPUMUKLFBVSJIQ-UHFFFAOYSA-N 411.855 4.790 0 40 HJAB O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1cc(F)ccc1Cl 67299267 VOPKGYOEAYBZFY-DAFNUICNSA-N 412.804 4.686 0 40 HJAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN(Cc3cccnc3)C2)n1 72345960 BLZWHMCJTFGZRN-KRWDZBQOSA-N 413.447 4.519 0 40 HJAB Cc1ccn2c(CN3CCC[C@@H](c4cccc(Nc5ccccn5)n4)C3)c(C)nc2c1 72376100 SEHHMYICDGBTPP-HXUWFJFHSA-N 412.541 4.864 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 72398555 KWMBVWIQXVVXSN-UWJYYQICSA-N 418.368 4.868 0 40 HJAB O=C(NCC1(c2cccc(Cl)c2)CCOCC1)C1(Br)CCCCC1 79056523 GGTCJYMHKZSUTR-UHFFFAOYSA-N 414.771 4.602 0 40 HJAB O=C1[C@@H](C(=O)N2CCC[C@H]2c2cccs2)CCN1c1ccc(Cl)c(Cl)c1 89799966 XUYXTOPJCSQAJQ-BBRMVZONSA-N 409.338 4.772 0 40 HJAB COc1cccc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1ccc(Br)c(C)c1 101084844 KTGKXZMLWBOGBR-HNAYVOBHSA-N 403.276 4.536 0 40 HJAB CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@@H]2ON1c1ccccc1 102725997 QGBCDYBRZMPPGI-JBJBFBLISA-N 406.526 4.890 0 40 HJAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 195529336 SPLRYQBIIXAWSV-JZXOWHBKSA-N 415.452 4.563 0 40 HJAB CCSC[C@H]1CCCN1C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 206792575 VDZVTAHSCFEJSN-GOSISDBHSA-N 415.525 4.919 0 40 HJAB COc1cc(/C=C/C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)cc(OC)c1OC 211078753 CBLQFIFLKDXURO-UBIUBJKMSA-N 413.489 4.661 0 40 HJAB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 216465251 MUXGEMAJHJDSMP-JOCHJYFZSA-N 422.550 4.985 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 222815339 CEDBSZFWJQLTMC-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl 223082027 ZTGRFQZFSMGZHW-CVEARBPZSA-N 421.368 4.868 0 40 HJAB CCc1cc(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)ccc1OC 223375291 JXZWWSRBSKCSSG-MRXNPFEDSA-N 405.560 4.738 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC(C)C)c1ccccc1 223412411 CYBQLJXHZHJGOE-JOCHJYFZSA-N 400.950 4.982 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl 224082200 ZZLDNYHODGWIDH-INIZCTEOSA-N 418.940 4.744 0 40 HJAB CC(C)(C)CC(C)(C)NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 224546846 RPLANZGHNZFMSC-UHFFFAOYSA-N 409.412 4.992 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 225009508 MCSMANNOTWDDSE-WOJBJXKFSA-N 424.585 4.695 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 225189077 KVFFBHDENDLVAR-HSZRJFAPSA-N 410.533 4.625 0 40 HJAB COc1ccc(NC(=O)C2(C)COC(c3cccc(C(F)(F)F)c3)OC2)c(C)c1 225920908 HBUACDYTTAJWPH-UHFFFAOYSA-N 409.404 4.713 0 40 HJAB CC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2CN(C)C[C@@H](C)c2ccccc2)C1 248127862 PKBNUEFQKBVAND-NQIIRXRSSA-N 404.558 4.524 0 40 HJAB CC(C)[C@@H]1C[C@@]2(CCCN(C(=O)Cc3cccnc3)C2)CO[C@H]1c1ccc(F)cc1 257214496 CMEQQYSDAQALHI-ZKMPZPQNSA-N 410.533 4.806 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)c1 408584670 SUENBAAYDPGKSF-UHFFFAOYSA-N 401.532 4.512 0 40 HJAB COc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)c1 408698990 QRYHUDVLDRFYQP-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)ccc1OCC(C)C 409034866 OIHDZKPESUSNMZ-UYRXBGFRSA-N 410.539 4.725 0 40 HJAB Cc1cccc(OCc2nn(CC(=O)Nc3ccc(Cl)cc3C)c(=S)o2)c1 409150852 FCPUNTWDVCVCPZ-UHFFFAOYSA-N 403.891 4.694 0 40 HJAB CC(C)Oc1ccc(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 589171142 WGNZEKWIKBNSJM-UHFFFAOYSA-N 403.529 4.712 0 40 HJAB Cc1ccc(C(=O)N2CCCCCOc3ccccc3Oc3ncccc3C2)cn1 643589603 UFTSYCZFTHDGMP-UHFFFAOYSA-N 403.482 4.782 0 40 HJAB O=C(NCC1(c2ccc(Cl)cc2)CC1)c1cccc(-c2noc(C(F)(F)F)n2)c1 1125732908 DFKWVIYVBVESHQ-UHFFFAOYSA-N 421.806 4.870 0 40 HJAB CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C)oc2c1 631369 USBZWAPRWKZCSB-UHFFFAOYSA-N 411.454 4.626 0 40 HJAB biogenic CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(C)c(NC(=O)COc3ccccc3)c2)c1C 892065 UDKCNXCWRZIZIX-UHFFFAOYSA-N 418.493 4.825 0 40 HJAB CCc1cccc(CC)c1NC(=O)CSc1nnc(CNc2ccc(F)cc2)o1 917721 RDDNNVOSGSJLIG-UHFFFAOYSA-N 414.506 4.676 0 40 HJAB CCOC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(OCC)cc3)C(=O)N2CC)cc1 1011499 CODAEGVGPPXDIA-BRNMAAFJSA-N 424.522 4.886 0 40 HJAB Cc1cc(NC(=O)CSc2nc(C3CC3)nc3sc4c(c23)CC[C@@H](C)C4)no1 1377315 JKVMIJZTPLDEIN-SNVBAGLBSA-N 414.556 4.721 0 40 HJAB CCOC(=O)C(=O)N1c2ccc(OCC)cc2-c2c(ssc2=S)C1(C)C 2268103 LTKSYZPNANICAK-UHFFFAOYSA-N 409.554 4.750 0 40 HJAB O=C(CCCSc1nc2ccccc2s1)Nc1ccc(N2CCOCC2)cc1 2661334 POFAWAFBSWHZDZ-UHFFFAOYSA-N 413.568 4.644 0 40 HJAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 3034965 ZHKBCFFMQKTHBO-KRWDZBQOSA-N 409.269 4.787 0 40 HJAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@@]2(OC(C)=O)C(C)=O)C1 3040345 JLYQTAVPLWZAFP-IVQKYAQCSA-N 416.558 4.772 0 40 HJAB Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)N3CCCc4ccccc43)cc2)cc1 3229504 WTVBITTXBGYNIV-UHFFFAOYSA-N 414.505 4.630 0 40 HJAB CCCCNC(=S)N(Cc1cccs1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 4134145 DVEPXLIIAZXZHF-UHFFFAOYSA-N 413.612 4.883 0 40 HJAB O=C(COc1ccc2ccccc2c1)Nc1c2c(nn1-c1ccccc1)CSC2 4223624 UXPMSCVHQQSCFN-UHFFFAOYSA-N 401.491 4.790 0 40 HJAB Cc1ccc(C2=Nn3c(COc4ccc(Cl)cc4Cl)nnc3SC2)cc1 4452325 SNFBFMXYENMOJW-UHFFFAOYSA-N 405.310 4.830 0 40 HJAB CC(C)N(C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1)c1ccccc1 4987689 SKXQUJVTGXOEJH-UHFFFAOYSA-N 417.918 4.836 0 40 HJAB Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1CCc1ccccc1 5047381 BUIGOBLBDXJAHH-UHFFFAOYSA-N 414.509 4.899 0 40 HJAB CCc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 5137596 UZRDXGVJPFQDQN-UHFFFAOYSA-N 406.960 4.547 0 40 HJAB CC(C)COc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1 5976972 OEFFZRXRAHGKSG-UHFFFAOYSA-N 413.326 4.861 0 40 HJAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(OC)c(OC)c(OC)c2)N3)C1 6358807 NEQDRWYRWLPCSQ-WLRWDXFRSA-N 402.516 4.718 0 40 HJAB CCCCn1nc(C(=O)Nc2nc(-c3cccs3)cs2)c2ccccc2c1=O 6886526 VIEXFBICZZXGIU-UHFFFAOYSA-N 410.524 4.634 0 40 HJAB Cc1cccc(/N=C2/NC(=O)/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)S2)c1C 6967870 BNCZTPUZYYMELB-MOSHPQCFSA-N 417.490 4.684 0 40 HJAB O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)[C@H]1COc2ccccc2O1 7596292 NXPMWAARBGRMBN-HXUWFJFHSA-N 402.475 4.666 0 40 HJAB CCCCn1nnnc1CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 7738410 GHEQCPGPDWVEFV-UHFFFAOYSA-N 412.950 4.817 0 40 HJAB Cc1cc(-c2csc(CC(=O)NCc3ccccc3)n2)c(C)n1CC(F)(F)F 8103312 SFVQHLROKMDAFH-UHFFFAOYSA-N 407.461 4.650 0 40 HJAB CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc2ccccc2c1 8127312 VDSIPRVOJIRJBX-UHFFFAOYSA-N 415.537 4.583 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O 8230306 DSXJYPSKDYNBSH-UHFFFAOYSA-N 409.555 4.907 0 40 HJAB O=C1Cc2cc(C(=O)CSc3nc(-c4cccs4)nc4ccccc34)ccc2N1 9315400 MHDCEFWWINHVJF-UHFFFAOYSA-N 417.515 4.828 0 40 HJAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 9577323 WUNXLZBOURJTNX-QGZVFWFLSA-N 409.917 4.631 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2c(oc3ccccc32)c1=O 9752196 WXLRCZGOZIUUBM-UHFFFAOYSA-N 407.495 4.510 0 40 HJAB C[C@H]1Sc2ccc(C(=O)Nc3ccc(-c4cn5ccccc5n4)cc3)cc2NC1=O 10321617 OZSGFDDFSKLPCP-CQSZACIVSA-N 414.490 4.686 0 40 HJAB CCOc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cccc3cccnc23)cc1 10851275 VBPQTEIZSCKWBS-UHFFFAOYSA-N 422.506 4.618 0 40 HJAB COc1ccccc1OCCCNc1ncc(-c2cnccn2)c(-c2cccs2)n1 12184756 CLRMWEZCRGETSV-UHFFFAOYSA-N 419.510 4.552 0 40 HJAB COc1cc(CNc2ncc(-c3onc(C)c3C)c(-c3ccco3)n2)cc(OC)c1 12186827 OCYBELNXZNATEL-UHFFFAOYSA-N 406.442 4.638 0 40 HJAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(OCc3ccc(F)cc3)c2)c1 12690972 LZMAVFXKZLUBHF-UHFFFAOYSA-N 407.441 4.817 0 40 HJAB CC(=O)NCCc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3F)n2)cc1 12735574 DHSRSVDNMWKDTO-UHFFFAOYSA-N 417.893 4.534 0 40 HJAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)c(=O)c12 12765254 WSWIZUZXSPDHLN-HKUYNNGSSA-N 421.566 4.615 0 40 HJAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 12789431 KFXOKPWUNDJDHX-QGZVFWFLSA-N 404.510 4.611 0 40 HJAB CCOC(=O)c1oc2ccccc2c1CN1CCC[C@@H]1c1cc(OC)ccc1OC 12806965 ZYBPUWLTKJBWQO-HXUWFJFHSA-N 409.482 4.964 0 40 HJAB CC[C@H](Oc1ccccc1)c1nn2c(-c3cncc(Br)c3)nnc2s1 13690949 VTYQGDCASSFKPB-AWEZNQCLSA-N 416.304 4.540 0 40 HJAB Cc1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3C3CC3)n2)cc1 14086472 FHVXZURYAPPDPT-UHFFFAOYSA-N 409.540 4.916 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)cc1 16838828 HWGIYHWKRFOKLE-UHFFFAOYSA-N 422.554 4.633 0 40 HJAB CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccc(F)c(F)c3)CC[C@H]21 19081615 BVYKIVICNXGKRC-DBXWQHBBSA-N 418.553 4.889 0 40 HJAB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2ccc(C)cc2)n2c1nc1ccccc12 20675538 IQAMBJJBENNXBY-YADHBBJMSA-N 419.525 4.650 0 40 HJAB CCN(CC)C(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3CS2)cc1 21627604 KKMHNZDISGZYQP-UHFFFAOYSA-N 413.568 4.775 0 40 HJAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3C(F)(F)F)n2)cc1 21771108 NBGKUVUJLAUHJR-UHFFFAOYSA-N 419.428 4.717 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)COc3cc(C)ccc3C(C)C)cs2)cc1 28288513 QCBBWSWEOPAVGK-UHFFFAOYSA-N 424.566 4.988 0 40 HJAB CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CNc3ccc(C(C)C)cc3)cc12 28296707 OXLFKBVYOUCJMZ-FQEVSTJZSA-N 424.541 4.639 0 40 HJAB O=C(Nc1ccc(-n2cc(Br)cn2)cc1)c1cccc(C(F)(F)F)c1 28574048 MJVIOWNNQCYUIW-UHFFFAOYSA-N 410.193 4.906 0 40 HJAB C[C@H]1CCc2c(sc3nc(S[C@H](C)c4nc(-c5ccco5)no4)nc(N)c23)C1 29738776 RNZJMOQIESFELM-VHSXEESVSA-N 413.528 4.895 0 40 HJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(c2cccc(C)c2C)CC1 30757460 DZFGJEFPPFBOAQ-DEOSSOPVSA-N 402.538 4.963 0 40 HJAB CCc1ccccc1-n1ncc2c1N=C(O)C[C@]21C(=O)Nc2ccc(C(C)C)cc21 32092039 HHINVWHFESLTJH-XMMPIXPASA-N 400.482 4.788 0 40 HJAB CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(C)c(C)c2)c2c(Cl)cccc21 32096966 VZIJPTKNFMAEJQ-HSZRJFAPSA-N 420.900 4.787 0 40 HJAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1sc2ccccc2c1Cl 32119128 IIRLHZFGNISHEE-UHFFFAOYSA-N 404.988 4.984 0 40 HJAB COc1ccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 32622902 HKYCDSHHWDGDNO-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(Oc2ccccc2)cc1 32753862 ZSPKDLIZARBLIZ-KRWDZBQOSA-N 409.507 4.716 0 40 HJAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(Cl)c(C(F)(F)F)c1 36652343 IAOKPGNGHZLWKF-LLVKDONJSA-N 411.811 4.535 0 40 HJAB O=c1[nH]c(N2CCN(c3ccccc3)CC2)nc2c(-c3ccccc3Cl)csc12 48986612 ZVBJHBBUVPLYRR-UHFFFAOYSA-N 422.941 4.632 0 40 HJAB Cc1ccc2c(c1)[C@@]1(Nc3ccccc3C(=O)N1c1ccc(C)c(Cl)c1)C(=O)N2 49947073 AIIGVNHLBRRIGI-QHCPKHFHSA-N 403.869 4.834 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)cc1C 59227372 ZSRIJAOLDRYPLH-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCc1cnn(-c2ccccc2)c1 65577663 CKWWEJRFTSVYBW-FQEVSTJZSA-N 411.505 4.666 0 40 HJAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN2C(=O)CC2CCCC2)n1 72354842 MMSQERWJABEKFS-SFHVURJKSA-N 418.463 4.988 0 40 HJAB Cc1ccccc1-c1cncc(C2CCN(C(=O)CCOc3ccccc3)CC2)n1 72359841 NBTBSBPLROUNTF-UHFFFAOYSA-N 401.510 4.627 0 40 HJAB Nc1ncc(-c2ccccc2)c([C@@H]2CCCCN2C(=O)CCc2ccc(F)cc2)n1 72377259 CAHCIWDQKDPBTP-NRFANRHFSA-N 404.489 4.551 0 40 HJAB O=C(c1ccc(Cl)s1)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 77191070 SJMTYGHSFIZMGQ-UHFFFAOYSA-N 413.808 4.710 0 40 HJAB Cn1c(CCNC(=O)c2csc(-c3ccc(Cl)s3)n2)nc2cc(F)ccc21 78777835 DEHWACGOXIXIBN-UHFFFAOYSA-N 420.922 4.523 0 40 HJAB C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(N2CCCC2=O)c1 95951102 NCUBPDQHVYNQMT-QGZVFWFLSA-N 415.493 4.610 0 40 HJAB O=C(Nc1ccccc1Cc1nc(C2CC2)no1)c1cc(Br)cs1 96356524 XWMBOSURDGXTFZ-UHFFFAOYSA-N 404.289 4.614 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(C(C)C)cc1 113942413 JKYOVJXLBYKHJI-UHFFFAOYSA-N 414.571 4.935 0 40 HJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccc(Br)cc1 219451404 ZFFMAOAKYJVTMF-UHFFFAOYSA-N 409.283 4.981 0 40 HJAB CCc1ccc(N(CCCC(=O)Nc2c(CC)cccc2CC)S(C)(=O)=O)cc1 222644007 VKUXLTGDGZUDQU-UHFFFAOYSA-N 416.587 4.559 0 40 HJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccnc4)c3C)N21 222682215 LAPFCBLMMRWYFI-MTNREXPMSA-N 403.555 4.864 0 40 HJAB S=C(NCCCc1ccccc1)Nc1ccc(N2CCc3ccccc3C2)nc1 223963967 NOJSNXJHIVKODS-UHFFFAOYSA-N 402.567 4.564 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 224182149 CRKCXGCZSUEWCG-FQEVSTJZSA-N 418.990 4.684 0 40 HJAB Cc1ccccc1CN(C(=O)CSc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1 224678235 KTJGHPNLBRDKSE-FQEVSTJZSA-N 424.610 4.953 0 40 HJAB O=C(CSCc1c(F)cccc1Cl)NCc1ccccc1CN1CCCC1 224759149 LQUVXNQRWWYMHX-UHFFFAOYSA-N 406.954 4.625 0 40 HJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2sccc2C)c(OC)c1 224794514 JGBLSOYYXRVSQG-RTBURBONSA-N 411.552 4.646 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 225008448 KAMHQMJCAWXOTQ-WOJBJXKFSA-N 412.599 4.560 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 225156548 AOSVXLZHXZBWIA-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 225193256 RIWWXVHDBJDYPP-NRFANRHFSA-N 400.950 4.525 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 225556073 FBXHBDNAIYPCDH-QPPBQGQZSA-N 408.586 4.876 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)C)c1 225631652 DOTOXDRNVDTICO-INIZCTEOSA-N 421.368 4.786 0 40 HJAB CO[C@]1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCC[C@@H](C)C1 225636805 AQBCKUTUANEWKK-HYBUGGRVSA-N 402.579 4.865 0 40 HJAB CCOc1ccc(C2(NC(=S)Nc3ccc(OC)cc3OC)CCCC2)cc1 225848868 JAPZXEGKNCZPAT-UHFFFAOYSA-N 400.544 4.858 0 40 HJAB S=C(NCCCc1ccccc1)Nc1nc(Cl)cc(N2Cc3ccccc3C2)n1 225967097 HGCSJVWXWVKYNM-UHFFFAOYSA-N 423.973 4.569 0 40 HJAB CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 257252372 JUPDJHYLXADPKM-GHTZIAJQSA-N 424.610 4.749 0 40 HJAB COc1ccccc1CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257258157 KSPJADHOZQHGAM-IBGZPJMESA-N 424.928 4.876 0 40 HJAB O=C(c1ccccc1Cn1cccn1)N1CCC[C@H](Cc2ccnc3ccccc23)CC1 257314164 UVPCOGWGRADQCS-NRFANRHFSA-N 424.548 4.965 0 40 HJAB COc1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3)nc2c1 408628757 XDTKXIJKWMDXMX-UHFFFAOYSA-N 402.406 4.527 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 408629530 CUMKGZONDKXKDC-UHFFFAOYSA-N 406.463 4.794 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1C 408678969 GSRAVUKIMKPMIM-GOSISDBHSA-N 424.522 4.510 0 40 HJAB O=C(O)[C@@H]1CS[C@@H](c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)N1 408809092 HUWDGEXYQUYVBT-WMZOPIPTSA-N 407.322 4.785 0 40 HJAB CCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)NC1=S 409004897 CAYBDIUSTKTPQZ-MOSHPQCFSA-N 418.518 4.505 0 40 HJAB O=S(=O)(NCCSCc1ccccc1Cl)c1cc(Cl)ccc1Cl 409028352 MEWAVMOFISQJRM-UHFFFAOYSA-N 410.775 4.859 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3)C2=O)c(C)c1 409181772 DQRZFFGZVUXEJW-LICLKQGHSA-N 400.887 4.632 0 40 HJAB CCC(CC)C(=O)N1CCCCN(C)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21 643550695 GDRBTXPFVXIXBY-IRLDBZIGSA-N 400.563 4.507 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)ccc1Cl 668411 SQZNOIZOEFUARO-ZDUSSCGKSA-N 420.962 4.874 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)Oc1ccc(I)cc1 1230081 KYXAGQPPQWZMOB-UHFFFAOYSA-N 423.033 4.582 0 40 HJAB Cn1c(S(=O)(=O)Cc2cccc(F)c2)nc(-c2ccccc2)c1-c1ccccc1 1392055 GXFWTSDJJUBKMH-UHFFFAOYSA-N 406.482 4.867 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)NCCCCNC(=O)/C=C/c1ccc(Cl)cc1 1698228 CGSDJGYNWMIMLE-FNCQTZNRSA-N 417.336 4.733 0 40 HJAB CCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(Br)cc3)ccc12 2095252 QYQBSOMLFRKUQS-UHFFFAOYSA-N 401.256 4.688 0 40 HJAB biogenic Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1 2247188 SBXYGTTZCWHMPV-XZOQPEGZSA-N 414.415 4.769 0 40 HJAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Br)cc1 2388817 XPCMLOKOPQEVDL-HOYKHHGWSA-N 412.264 4.536 0 40 HJAB O=c1c2c(nc(SCc3ccc(F)cc3)n1-c1ccc(Cl)cc1)CCS2 2720004 DXBDXWMFIJZTFM-UHFFFAOYSA-N 404.919 4.966 0 40 HJAB Cc1ccc(CNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 3176380 MWSUICXZMYHUJT-VWLOTQADSA-N 416.546 4.699 0 40 HJAB O=C(CSc1nncn1-c1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 3292934 ICFYVFFHLPQJBR-UHFFFAOYSA-N 413.717 4.958 0 40 HJAB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)N1CCc2ccccc2C1 3428599 XFMBJSDKXCLFPI-LLVKDONJSA-N 400.853 4.819 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4Cc5c(c(C)nn5C(C)=O)[C@@]4(C)CC[C@H]32)C1 4023873 LFSRWPRCKLPVBQ-SBIOIKGLSA-N 410.558 4.760 0 40 HJAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4593058 WNJXBOGCYMJUMP-YWTFWNCSSA-N 423.553 4.840 0 40 HJAB COc1ccc(C(=O)c2cn(Cc3ccccc3F)c3ccc(F)cc3c2=O)cc1 4936926 YAEAGXZBZZTCEZ-UHFFFAOYSA-N 405.400 4.568 0 40 HJAB O=C(CN1CCCCC1)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2 4953246 SZXSDGDWSTXQAF-UHFFFAOYSA-N 416.974 4.936 0 40 HJAB O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc4ccccc4c3)ccc(=O)n1C2 5415064 RDRJLKGDXUDKNO-LAUBAEHRSA-N 410.473 4.521 0 40 HJAB biogenic,in-vitro CCOc1ccc(C(=O)N(C)Cc2cc(Br)ccc2OC)cc1OCC 5421641 ARTXCFUNLXLTPI-UHFFFAOYSA-N 422.319 4.527 0 40 HJAB Cc1cccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1C 6220051 IRFHFMBOZURLKP-IBGZPJMESA-N 402.494 4.812 0 40 HJAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1C 6504802 NEJZKWGRBYKZPB-UHFFFAOYSA-N 410.543 4.557 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 6564034 ZSNZADSDCAMTCQ-UHFFFAOYSA-N 400.434 4.527 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4c(C)cccc4C)ccc32)cc1 6767050 GDRIQQZPFABTPH-UHFFFAOYSA-N 420.534 4.616 0 40 HJAB CCN(C(=O)[C@H](C)Sc1nnc(Nc2ccccc2F)s1)c1ccccc1 6787107 ZBKWYGANVGWWSK-ZDUSSCGKSA-N 402.520 4.955 0 40 HJAB O=C(COC(=O)c1csc(-c2cccc(Cl)c2)n1)NCCC1=CCCCC1 7106705 UMKSCZHLKYHFRQ-UHFFFAOYSA-N 404.919 4.627 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)/C=C/c1ccc(C)o1)CC2 7989955 PQEUEDFGXFEYBP-CJZRDCOESA-N 403.478 4.793 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CSc1cccc2cccc(Cl)c12 8072586 CQXKTXYDWDSJKX-HUUCEWRRSA-N 405.947 4.918 0 40 HJAB O=C(c1cnc2ccccc2n1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 8231694 SOUDYSBDERTARA-UHFFFAOYSA-N 400.507 4.812 0 40 HJAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)Nc1cccc(Cl)c1 8410259 XOBSCBSIXCVFKM-UHFFFAOYSA-N 403.935 4.922 0 40 HJAB COc1ccc(-c2nnc(S[C@H](C)C(=O)c3c[nH]c4ccccc34)o2)c(OC)c1 8707632 WSVBYGYVNGOIKI-GFCCVEGCSA-N 409.467 4.599 0 40 HJAB CCCn1nc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c2ccccc2c1=O 8778560 NLZSHUKNZADYCO-UHFFFAOYSA-N 423.476 4.602 0 40 HJAB CCc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(C)cc3)c2)cc1 10059476 HMZVIGZVVAHLFS-UHFFFAOYSA-N 424.522 4.619 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 10315058 KAHHEFXYTNPQCF-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB CCOc1ccc(NC(=O)[C@H]2Sc3ccc(C)n3N[C@@H]2c2ccc(OC)cc2)cc1 11114873 LCSHLLIHLUCRJZ-YADHBBJMSA-N 423.538 4.602 0 40 HJAB COc1cc(NC(=O)/C=C/c2cccc(OCc3csc(C)n3)c2)cc(OC)c1 11424334 DQUQSBSMFQARFX-BQYQJAHWSA-N 410.495 4.700 0 40 HJAB Cc1noc(C)c1C(=O)NC1CCN(C[C@@H](c2ccccc2)C2CCCCC2)CC1 12188805 STUVSDTVCCQCTD-QHCPKHFHSA-N 409.574 4.850 0 40 HJAB COc1cc(C)c(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1OC 12559996 YVCXONUYTKQEPO-UHFFFAOYSA-N 407.495 4.570 0 40 HJAB Cc1c(Sc2nnc(-c3ccccc3Br)o2)c(=O)[nH]c2ccccc12 12690416 AUZFEWLPEBJKKJ-UHFFFAOYSA-N 414.284 4.800 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2sc(-c3ccccc3)nc2C)c(C)c1 12888768 IKABRQCEVBNMGG-UHFFFAOYSA-N 407.539 4.754 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 12999404 PJWMRABLYRWCKP-AWEZNQCLSA-N 400.935 4.837 0 40 HJAB O=C(N/C(=C\c1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1)c1ccccc1 13579447 XKPKJQBBZCRMPP-XYGWBWBKSA-N 421.500 4.524 0 40 HJAB CCc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 13684446 STLLVNSIUKQUPU-SFHVURJKSA-N 402.494 4.758 0 40 HJAB Cc1nn2c(nc(N3CCC(C(=O)Nc4ccccc4)CC3)c3ccccc32)c1Cl 14246197 VKSHSEIFICVDHU-UHFFFAOYSA-N 419.916 4.699 0 40 HJAB CCCOc1ccc(/C=C/C(=O)OCc2cc(F)cc3c2OCOC3)cc1OCC 14678521 YWMWPSOQHBTREC-SOFGYWHQSA-N 416.445 4.636 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1 15225599 LTEMNLABXQUJMH-UHFFFAOYSA-N 415.518 4.733 0 40 HJAB CC(C)n1nccc1NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 15277114 HSRDBZFSLGFSQS-UHFFFAOYSA-N 409.540 4.867 0 40 HJAB C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@@H](C(F)(F)F)C1 16591236 DQZANKNRDMSXIM-VHSXEESVSA-N 402.766 4.960 0 40 HJAB C[C@H]1C[C@@H](C)CN(C(=O)CCC(=O)Nc2ccc(OCCc3ccccc3)cc2)C1 18251021 NCNMSXIWNRRYJL-BGYRXZFFSA-N 408.542 4.531 0 40 HJAB Cc1ccc(CN(Cc2ccnn2[C@@H]2CCCCO2)C2CC(C)(C)NC(C)(C)C2)o1 19216529 UPYOZRZVXYFZPF-QFIPXVFZSA-N 414.594 4.795 0 40 HJAB C[C@H](NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1cc2ccccc2o1 19292901 ADXSEDUHVIPRHF-JTQLQIEISA-N 421.309 4.752 0 40 HJAB O=C(c1ccccc1)N1CCC(c2nc(-c3ccccn3)ncc2-c2ccncc2)CC1 19368684 ZATFJPJJPQRAPK-UHFFFAOYSA-N 421.504 4.620 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(Cc2ccncc2)C1 19449647 YCPRUTBGJVWZLL-RUZDIDTESA-N 419.594 4.770 0 40 HJAB COc1ccc(Oc2cc(N[C@H](C)C(=O)Nc3cccc(OC)c3)ccc2OC)cc1 22421193 LEZPXJQRSVCXIZ-MRXNPFEDSA-N 422.481 4.944 0 40 HJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 22533012 YPZRINZBYXYSMG-SFHVURJKSA-N 423.918 4.653 0 40 HJAB CCc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1 28206870 MZANLUSXLVBIHX-QGZVFWFLSA-N 420.534 4.641 0 40 HJAB COc1ccc(NC(=O)N2CCS[C@@H]2c2ccc(OC)c(Br)c2)cc1 28232320 DBGZYEUSKCTCSS-QGZVFWFLSA-N 423.332 4.746 0 40 HJAB Cn1c(SCc2ccc(F)cc2)nnc(Nc2cccc(Cl)c2Cl)c1=O 28538409 NAYCZDHOANAXDZ-UHFFFAOYSA-N 411.289 4.657 0 40 HJAB C[C@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1 28804092 RWNRNLXYPZDQPD-NBGIEHNGSA-N 423.560 4.863 0 40 HJAB COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c(OC)c1OC 30011663 ADMVHJXXRSHCDY-UHFFFAOYSA-N 421.497 4.503 0 40 HJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C 31903366 AZAJMAQIPAGVMW-QFIPXVFZSA-N 418.541 4.551 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3OC(C)C)c2)cc1 32285126 LZIYKZNTRDDGAK-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB Cc1cc(SCC(=O)NCc2ccccc2Cl)nc(-c2ccc(F)cc2)n1 33301557 VUQQXCAKTUPOGV-UHFFFAOYSA-N 401.894 4.653 0 40 HJAB COc1cccc(C2=NN(C(C)=O)[C@H](c3nc4ccccc4n3Cc3ccccc3)C2)c1 41146249 DSFLLWGGARXBOE-VWLOTQADSA-N 424.504 4.791 0 40 HJAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2C)C12CCCCC2 49546117 HMXGKHPPCRZPQV-QFIPXVFZSA-N 406.526 4.522 0 40 HJAB CCN1CCN(c2ccc(NC(=O)N[C@@H](C)c3cc4ccccc4o3)cc2C)CC1 57863760 WPSOXNRBPXZDBH-SFHVURJKSA-N 406.530 4.766 0 40 HJAB COc1ccc(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)cc1 58203097 DHCZWVWJWXZSSZ-UHFFFAOYSA-N 400.276 4.513 0 40 HJAB CCOc1ccc(-c2noc(-c3nn(-c4cccc(C)c4)c(=O)c4ccccc34)n2)cc1 64949757 HWKAFUQTPHOSOY-UHFFFAOYSA-N 424.460 4.810 0 40 HJAB O=C1c2ccccc2CC[C@H]1[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 72193909 ZYAYJMIHRVQVMD-CJFMBICVSA-N 417.892 4.520 0 40 HJAB O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 72330459 UHYBRQGQKUFNGG-NVQXNPDNSA-N 417.528 4.533 0 40 HJAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)C2CCCC2)n1 72354825 JDBMZIUBHRJAFH-QGZVFWFLSA-N 404.436 4.598 0 40 HJAB CCOc1ccc(-c2noc(Cn3nc(-c4ccc(C(C)C)cc4)ccc3=O)n2)cc1 85644426 MVLMHXUKAAUWRG-UHFFFAOYSA-N 416.481 4.531 0 40 HJAB CCC(CC)c1cc(C(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)on1 89943189 WWAMBLXBUUAELL-QGZVFWFLSA-N 416.522 4.792 0 40 HJAB CC(=O)c1cccc(NC(=O)C(=O)N[C@H](CC(C)C)c2ccccc2OCC(C)C)c1 95405974 ZLHDWNBAIMFAIT-JOCHJYFZSA-N 424.541 4.766 0 40 HJAB O=S(=O)(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccnc1 206909826 YTFUXYSIFUJHFS-UHFFFAOYSA-N 411.483 4.812 0 40 HJAB CCOc1ccccc1CCCNC(=O)COc1cc(C)c(Br)c(C)c1 218841068 AMADFYYBKXNQIO-UHFFFAOYSA-N 420.347 4.592 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 222456318 LPCAZIXZTCHBFY-NRFANRHFSA-N 400.950 4.523 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C 222545612 WVCRLPXSFIFWML-HYBUGGRVSA-N 424.585 4.577 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC)cc1 222722530 RCYLRIPLIFFBNY-OAHLLOKOSA-N 421.368 4.652 0 40 HJAB CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCCC2 223058561 QOAVZKCVXKQVAO-LJQANCHMSA-N 408.361 4.758 0 40 HJAB CCc1ccc(N(CC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)cc1 223786217 MUEPQHDFFFJAHO-UHFFFAOYSA-N 422.506 4.553 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3F)cc2)cc1 223994809 ZCICJNOBDXUGQK-UHFFFAOYSA-N 416.499 4.601 0 40 HJAB Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1NS(=O)(=O)c1ccccc1 224082848 QADSRQUWSUFZJN-UHFFFAOYSA-N 402.560 4.740 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 224269049 WWRANPISZWMGSL-HXUWFJFHSA-N 418.990 4.684 0 40 HJAB CC[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)N(c1ccccc1)S(C)(=O)=O 224298377 LRJZQTYFVHGLLS-HXUWFJFHSA-N 422.506 4.769 0 40 HJAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 224543286 BMPCOMXHLJHBKG-UHFFFAOYSA-N 412.486 4.506 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](CC)c2ccc(OC)c(OC)c2)c1 225720268 FQANFIHKUQFZHV-KRWDZBQOSA-N 416.543 4.627 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2ccccc2C)no1 225796029 TWOCCEWMBXINNY-QFIPXVFZSA-N 419.525 4.740 0 40 HJAB COc1ccc(-c2noc(CNC(=S)Nc3ccc(OC4CCCC4)cc3)n2)cc1 225824516 LQUZYWCJULECEH-UHFFFAOYSA-N 424.526 4.553 0 40 HJAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)cc1OCc1ccccn1 257232872 GMUIUMDQCGXTOB-RPMDWDEOSA-N 409.526 4.544 0 40 HJAB O=C(c1nc2ccccc2s1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 390826493 MMCIXFCHXPGUMI-UHFFFAOYSA-N 417.538 4.640 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)c1 408673468 SGYKQRVHIGMOCR-MORSLUCNSA-N 410.901 4.826 0 40 HJAB O=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCOCC1 408735622 UJZZYRPFSAQUES-UHFFFAOYSA-N 410.477 4.828 0 40 HJAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Cl)c1OCc1cccc(C)c1 409244209 ZOKCXRLVNGBMNI-WOJGMQOQSA-N 414.889 4.539 0 40 HJAB CC1(c2ccc(Cl)cc2)CCN(C(=O)C2CCC(OC[C@@H]3CCCO3)CC2)CC1 509803069 HJYKENRWQOCLMQ-UDJZJCJKSA-N 419.993 4.975 0 40 HJAB O=C(c1cnn2c(-c3ccccc3)ccnc12)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 561133496 QRCWZSXPSHZBBE-FJIJXJHWSA-N 408.505 4.805 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C 573833366 ROSDFSODNGKBSD-QRWLVFNGSA-N 409.917 4.696 0 40 HJAB CC1(C)C[C@@H]2CN(C(=O)c3ncccc3C(F)(F)F)CC[C@@H]2N1c1cccc(F)c1 2037988567 WBHKYJORYHJVCN-KDOFPFPSSA-N 421.438 4.759 0 40 HJAB COc1cccc(CN2CCCC[C@@H]2C2CCN(C(=O)OC3CCCC3)CC2)c1 2056225102 CFLFZYAHHNNZDZ-HSZRJFAPSA-N 400.563 4.841 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc4ccc(OC)cc4nc3Cl)C2)cc1 1261172 PRVQKOJAGINRSS-OAQYLSRUSA-N 409.873 4.603 0 40 HJAB Cc1sc2nc(C(C)C)n3c(SCC(=O)N4CCCC[C@@H]4C)nnc3c2c1C 1336246 JDNCCPDKCTYUFB-LBPRGKRZSA-N 417.604 4.572 0 40 HJAB CCOc1ccc(-c2nnc3sc(-c4ccc(Br)cc4)nn23)cc1 2403022 KPRBVXWWPVBRMG-UHFFFAOYSA-N 401.289 4.681 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCCC3)cc2)c1 2658082 BGJHTNRCVKBSRD-UHFFFAOYSA-N 400.544 4.557 0 40 HJAB CCCCCCn1nc(C(=O)N[C@H]2CCCc3ccccc32)c2ccccc2c1=O 3245500 YDQRTTJAZYCMGS-QFIPXVFZSA-N 403.526 4.784 0 40 HJAB Nc1nnc(S[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)s1 3312668 MZWPALUSPRGSEK-CYBMUJFWSA-N 411.339 4.899 0 40 HJAB Cc1cccc(C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccco2)c1 3334201 ZAZJJWZAIAYCDB-UHFFFAOYSA-N 416.399 4.888 0 40 HJAB CCCOc1ccc(CNC(=O)c2sc3nc4ccc(OC)cc4cc3c2N)cc1 4126961 MOTVIBVMTMDARR-UHFFFAOYSA-N 421.522 4.759 0 40 HJAB Fc1ccc(-n2nnc3c(SCc4cccc(C(F)(F)F)c4)ncnc32)cc1 4166714 XTBXKBURXOVYBB-UHFFFAOYSA-N 405.380 4.661 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1cc(C)c(O)c(-c2nc3ccccc3o2)c1 4988516 ZRHULTBLSGSPHP-UHFFFAOYSA-N 404.422 4.778 0 40 HJAB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc3ccccc3n2)cs1 5079776 DTTKWNAZDKVYAG-UHFFFAOYSA-N 417.490 4.538 0 40 HJAB CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1cccc(Cl)c1 5430154 JEEQRCFZAVQKDQ-AWEZNQCLSA-N 400.935 4.662 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)cc2)c(C)c1 6044222 SCAGVEMOCMKZDM-UHFFFAOYSA-N 403.507 4.683 0 40 HJAB C1=CC[C@@H]([C@H](NCCc2c[nH]c3ccccc23)c2nnnn2C2CCCCC2)CC1 6062616 BLGOQPZKWQOVKY-JPYJTQIMSA-N 404.562 4.889 0 40 HJAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 6213732 BIGLQGYSJOBHOS-UHFFFAOYSA-N 410.543 4.613 0 40 HJAB CCCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 6656653 SJZMGGARGHHORO-JOCHJYFZSA-N 417.513 4.693 0 40 HJAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 6728009 VYWBATGYGFJZME-VWLOTQADSA-N 419.908 4.910 0 40 HJAB CSc1cccc(NC(=O)c2cc3c(N4CCCC4)nc(SC)nc3s2)c1 7604275 RTOLEZWOSCCNGD-UHFFFAOYSA-N 416.597 4.988 0 40 HJAB COC(=O)c1c(CN2CCC[C@@H]2c2ccc(OC)cc2OC)nc2ccccc2c1C 7741590 ULBOGVBVDIIZLU-JOCHJYFZSA-N 420.509 4.684 0 40 HJAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc(N2CCCC2)cc1 8162426 PGIMBXLFXUMACA-RUZDIDTESA-N 417.578 4.935 0 40 HJAB NC(=O)c1ccc(NC(=O)c2oc3ccccc3c2-c2cnn(-c3ccccc3)c2)cc1 8705244 SYSNXLKCFVTGJU-UHFFFAOYSA-N 422.444 4.637 0 40 HJAB COc1ccc(Cn2c([C@H]3CC(=O)N(c4cccc(C)c4)C3)nc3ccccc32)cc1 8845005 MLCALRPQACMDOF-FQEVSTJZSA-N 411.505 4.922 0 40 HJAB Cc1cccc(C)c1NC(=O)Nc1ccccc1-c1csc(N2CCOCC2)n1 8877973 SLZHEYSZONWAOQ-UHFFFAOYSA-N 408.527 4.908 0 40 HJAB CCC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)c1 9095521 UMWNDCFZURLHDU-UHFFFAOYSA-N 415.493 4.526 0 40 HJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)OCc1cnc(-c2ccccc2)s1 9493790 WEQXCHDPAFKXMT-UHFFFAOYSA-N 417.412 4.922 0 40 HJAB O=C(C[C@]1(O)C(=O)N(Cc2cccs2)c2ccccc21)c1ccc2ccccc2c1 9530546 FUECOFZUUWBFRH-RUZDIDTESA-N 413.498 4.909 0 40 HJAB Cc1c(Cl)c(CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)nc2ccccc12 9949153 CZNRLTUIAUDQFK-NRFANRHFSA-N 411.914 4.542 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2Br)cc1 11172037 GQVDYPOBOGDQEJ-LBPRGKRZSA-N 412.711 4.757 0 40 HJAB C[C@@H]1CCN(C(=O)c2cccc(I)c2)c2ccccc2S1 12864018 IFGHPJHWFUZOHI-GFCCVEGCSA-N 409.292 4.822 0 40 HJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(O)c(OCC)c2)n2c(nc3ccccc32)N1 13634921 KYJHXXOZPIXTDS-QFIPXVFZSA-N 421.497 4.773 0 40 HJAB C[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1c(F)cccc1Cl 13709842 BSZOAJMJDNKKLZ-LBPRGKRZSA-N 402.318 4.949 0 40 HJAB CCn1c(SCC(=O)Nc2ccccc2)nnc1[C@H](C)Oc1ccccc1Cl 13870803 ONDCXBHJTAEJPX-AWEZNQCLSA-N 416.934 4.822 0 40 HJAB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1cccc(N2CCCC2=O)c1 14397268 IXTZIGAYFVZDGR-UHFFFAOYSA-N 414.509 4.604 0 40 HJAB Cn1c(=O)c(CNCCC(c2ccccc2)c2ccccc2)cc2ccc(F)cc21 15067170 DSDQRKAEOWAICX-UHFFFAOYSA-N 400.497 4.989 0 40 HJAB COc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)c(Cl)c2)N2CCCCC2)cc1 15317714 GDOIZIIIUMTIQH-OAQYLSRUSA-N 421.368 4.888 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O 15630356 GMOYCAMAVMTTSE-UHFFFAOYSA-N 420.852 4.710 0 40 HJAB COc1c(Cl)cc(Cl)cc1/C=C1/SC(=N)N(c2ccc3c(c2)OCO3)C1=O 16194510 YEROWOJFNFLYSR-OQPSHLENSA-N 423.277 4.786 0 40 HJAB Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 17012426 LUBCJVYJAULPOY-UHFFFAOYSA-N 423.520 4.644 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CC3CCCC3)C1)N2 19083996 ISZYGMMHMDTDQU-FGTMMUONSA-N 422.564 4.990 0 40 HJAB Cc1cnccc1CN1CCC[C@@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 19239517 PNHAIGLWJIJXJO-QGZVFWFLSA-N 417.479 4.955 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(F)c1 19400641 OTUMIUCTZRIJTC-HYBUGGRVSA-N 421.491 4.743 0 40 HJAB Cc1cccc(-c2noc([C@H](C)NC(=O)Cc3c(C)[nH]c4c(C)cc(C)cc34)n2)c1 19664247 XJQAEGOHLYRNRP-KRWDZBQOSA-N 402.498 4.871 0 40 HJAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 20503001 NYXNEEQSIHVYFG-UHFFFAOYSA-N 414.914 4.630 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)o2)cc1 22025500 HGCCFEDRRRZAEK-AWEZNQCLSA-N 421.526 4.673 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc2nc(CSc3ccccc3Cl)[nH]c2c1 23514406 OWUWMGKZHFORSF-UHFFFAOYSA-N 409.964 4.539 0 40 HJAB COC(=O)COc1cccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 24950148 OLGLXKIHEFHAQK-UHFFFAOYSA-N 419.355 4.770 0 40 HJAB O=S(=O)(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc(Br)cc1 26548096 NTHPVWVSCLAQGG-UHFFFAOYSA-N 419.300 4.782 0 40 HJAB CCCCCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1 27746804 AWIVTJZFLOICCY-XMMPIXPASA-N 410.558 4.831 0 40 HJAB biogenic O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc2c(c1)C(=O)c1ccccc1-2 32762396 BJWVBUYXNDLOJD-NRFANRHFSA-N 402.519 4.526 0 40 HJAB COc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccc(F)cc2)n1 33325076 ODNWUSHUWUYIEA-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB CCOc1ccc(-c2cc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)no2)cc1 35673059 ZNANJNQLZOKHKD-UHFFFAOYSA-N 417.465 4.901 0 40 HJAB O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccnn1Cc1ccccc1 36760295 YPOABKMOABPLMA-UHFFFAOYSA-N 422.941 4.813 0 40 HJAB O=C(NCc1cccs1)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 38501149 ONEZLIICSUYGFU-UHFFFAOYSA-N 407.470 4.582 0 40 HJAB O=C(NCCSc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38836878 SRNSUDAEPCHPEO-QGZVFWFLSA-N 406.954 4.600 0 40 HJAB O=C(NCCSCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 39760203 RVLJNLQMFRTIIY-UHFFFAOYSA-N 402.991 4.602 0 40 HJAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 40103796 HRCZKTUNRHLPAU-QGZVFWFLSA-N 400.954 4.625 0 40 HJAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCCCOC(C)C)c(C)c3cc2c1C 40308994 YTURSVHOGJXMBR-UHFFFAOYSA-N 413.514 4.637 0 40 HJAB biogenic COc1cc2c(cc1OC)CN(C(=O)Nc1ccc3nc(SC)sc3c1)CC2 48250343 MCRCSAZOFAUKCF-UHFFFAOYSA-N 415.540 4.626 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cccc(-n3ccnc3SC)c2)c1 48272949 PQCCKGMCAMRUGY-HXUWFJFHSA-N 423.538 4.589 0 40 HJAB O=C(CCOc1ccc(Cl)cc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 48309872 QZWBEPBEKXQWIG-OAQYLSRUSA-N 409.917 4.548 0 40 HJAB O=C(CSc1ncnc2c(-c3ccccc3)c[nH]c12)NCc1ccc(Cl)cc1 48988700 OBCWKQOEMAXBDF-UHFFFAOYSA-N 408.914 4.687 0 40 HJAB CCc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 95748927 NSAPJLLDBJTIIN-HSZRJFAPSA-N 401.462 4.913 0 40 HJAB Cc1nc(Cn2cc(-c3cc(C(=O)NCC(C)(C)C)c4ccccn34)nc2C)cs1 96154966 LAHXPRPXHWJBMP-UHFFFAOYSA-N 421.570 4.700 0 40 HJAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)N(c3ccccc3)O[C@H]2C1=O 102723812 TXMYRMUHOJDGJQ-BHDDXSALSA-N 418.880 4.700 0 40 HJAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc(C(=O)O)c3C)o2)cc1C 107619655 IRRPBVWEAXZMSJ-UHFFFAOYSA-N 408.479 4.697 0 40 HJAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(Br)cc1 219687165 CFMDBVOBXNLFMJ-MRXNPFEDSA-N 420.347 4.754 0 40 HJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1 223016504 NGFNUVJUFPJMHQ-YWZLYKJASA-N 402.922 4.973 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 223596740 MXZLKPQAKNXFOW-QHCPKHFHSA-N 424.585 4.714 0 40 HJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 223785176 SUJWDHYSGDQJAG-IBGZPJMESA-N 420.553 4.988 0 40 HJAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)cc1 223793390 ZQEMNSRKPABHNS-FGZHOGPDSA-N 406.555 4.613 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(Cl)cc2)c1 224817228 IKLBBYXQHNRJDR-MOSHPQCFSA-N 410.926 4.797 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225000539 OSMNBUQXOSSBCK-WOJBJXKFSA-N 410.558 4.521 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 225054563 LWLUZSBJCMERCP-VQTJNVASSA-N 412.599 4.560 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 225423339 ZZFKTDDHICKBKZ-UXHICEINSA-N 412.599 4.543 0 40 HJAB O=C(N[C@H](c1cccnc1)C1CCOCC1)c1cccc(OCc2ccccc2)c1 238861931 KWCYGXYJGQPXOK-DEOSSOPVSA-N 402.494 4.558 0 40 HJAB Cc1nc(C)c(C(=O)N2C[C@@H]3CCC[C@](O)(c4cccc(C(F)(F)F)c4)[C@H]3C2)s1 248008737 FJKVFUWBHXVWGN-VHFSOBRXSA-N 424.488 4.539 0 40 HJAB CC[C@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)C1=O 408545265 XDNPTXHOGREBHN-UZPSYVQNSA-N 424.478 4.816 0 40 HJAB CC(C)c1ccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1 408628250 VHOLGUVVULIYGE-UHFFFAOYSA-N 406.507 4.624 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)c1 408673737 UPEZTDOYBPIWHX-NPFVIJTESA-N 416.521 4.765 0 40 HJAB O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409063252 JLAVZKZOFHRZFV-UHFFFAOYSA-N 402.469 4.984 0 40 HJAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 409069376 MQXLIUDMRSAXNR-UHFFFAOYSA-N 412.533 4.831 0 40 HJAB COc1cc(OC)c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1 409216415 IALGQIGUVPSHSR-LICLKQGHSA-N 405.859 4.607 0 40 HJAB CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C(=O)O)cc1 409385401 KUFLEEQXMCXZKH-UHFFFAOYSA-N 403.891 4.521 0 40 HJAB Cc1ccc(-c2nc3ncc(Cl)cc3cc2-c2ccc(S(C)(=O)=O)cc2)cn1 642881585 KMVNADBESBBLJC-UHFFFAOYSA-N 409.898 4.724 0 40 HJAB O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)[C@H]2CCc3ccccc3C2)c1 1537314571 DGCPRBBNKNLWNI-SFHVURJKSA-N 405.885 4.731 0 40 HJAB CCc1cc(OC)c(OC)cc1[C@H](CC)NC(=O)c1cccc(Br)c1 668014 FOHFGWGIAOLHBY-KRWDZBQOSA-N 406.320 4.910 0 40 HJAB CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3o2)sc2c1CCCC2 846122 OVKPCDJSUUEXPM-UHFFFAOYSA-N 416.524 4.676 0 40 HJAB COc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccs1 1380080 IAJOUPGDZKHJKO-OAQYLSRUSA-N 424.522 4.797 0 40 HJAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)sc2c1CCCC2 1904267 DLEMAJDAONJQKM-GFCCVEGCSA-N 407.919 4.781 0 40 HJAB C[n+]1c(Cc2ccc(Cc3sc4ccccc4[n+]3C)cc2)sc2ccccc21 2703515 WNYWSMWKQBLMGY-UHFFFAOYSA-N 402.588 4.947 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)cc1 3059240 CGKMYNUGHHCXHU-UHFFFAOYSA-N 421.547 4.546 0 40 HJAB CCN1C(=O)c2cccc3c(NC(=O)/C=C/c4ccc(Br)o4)ccc1c23 3169137 NBEFRCYQEAYCLO-YRNVUSSQSA-N 411.255 4.827 0 40 HJAB O=C(OCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc2ncsc2c1 4327024 SORKVKCOPGDYTP-UHFFFAOYSA-N 416.502 4.682 0 40 HJAB CCc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c1 5017282 FCSUPVCLQTXXFL-UHFFFAOYSA-N 410.524 4.798 0 40 HJAB CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OC(F)F)cc3)=NN12 5478242 HGMRSGZLEOMAPD-HXUWFJFHSA-N 413.468 4.644 0 40 HJAB COC(=O)c1ccc(COC(=O)/C(=C/c2cccc(OC)c2)c2ccccc2)cc1 6052167 SWNDHZHNGOBGAU-XQNSMLJCSA-N 402.446 4.766 0 40 HJAB CCN1CCN(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2Cl)CC1 6241883 ZSTRSFVWURSHAD-UHFFFAOYSA-N 423.944 4.653 0 40 HJAB CCC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 6352238 ZDMPTOSUPFWZOA-OAHLLOKOSA-N 408.951 4.676 0 40 HJAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(F)cc1 6355922 ROYWAWZOSJNSID-VTGBELTLSA-N 402.267 4.694 0 40 HJAB COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2cnc(C)cn2)c1 7975261 USSBBLLYHINPQR-UHFFFAOYSA-N 403.360 4.857 0 40 HJAB CSCC[C@H](NC(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1nc2ccccc2[nH]1 9219901 GCPGWPDUCURNTD-SGTLLEGYSA-N 404.486 4.696 0 40 HJAB Cc1cccc(NC(=O)CSc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)c1C 9414843 LXHSTOWGSSALOR-UHFFFAOYSA-N 423.929 4.792 0 40 HJAB COc1ccc(-c2nnc(SCc3ccc(Br)cc3)o2)c(OC)c1 9547516 KNUFPYSBEHUNKG-UHFFFAOYSA-N 407.289 4.809 0 40 HJAB CCN(CC)c1ccc(C[C@H]2c3ccccc3CN3c4ccccc4C(=O)N[C@@H]23)cc1 11582399 MHYKHABQBMXVEA-AZGAKELHSA-N 411.549 4.949 0 40 HJAB CCCC(=O)Nc1ccc(C(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 12806272 ITFOUUKULXPZFQ-UHFFFAOYSA-N 417.889 4.662 0 40 HJAB COc1ccc([C@H](C)NC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1F 12914028 QZAJIRZDNXIPIC-LBPRGKRZSA-N 402.447 4.541 0 40 HJAB O=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1cc(Cl)ccc1Cl 13591707 ZJNWQSZGZJOCLK-UHFFFAOYSA-N 423.609 4.638 0 40 HJAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1CCOc1ccccc1 13614928 USFKMDZKSWXSFB-XDZVQPMWSA-N 423.512 4.804 0 40 HJAB C[C@@H](NC(=O)c1oc2ccccc2c1CSc1ncn[nH]1)c1ccc(F)cc1F 14232245 PUWYYDYUNRRFQQ-LLVKDONJSA-N 414.437 4.612 0 40 HJAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C 16031303 DKFSENSUQISSIR-SGTLLEGYSA-N 417.502 4.563 0 40 HJAB biogenic O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)NC(=S)N1c1ccccc1 17093142 FHASDIZHPZVOFG-CJLVFECKSA-N 422.513 4.802 0 40 HJAB O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccccc1)CN(Cc1ccccc1)CC3 18116412 HIIBEOUSVCGDMW-UHFFFAOYSA-N 419.575 4.727 0 40 HJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 20037164 QUVDTEWBJVQLNH-NRFANRHFSA-N 406.482 4.623 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1nnc(-c2ccc(Br)cc2)o1 20496054 BBFSFLHDWXZZFA-XCVCLJGOSA-N 404.651 4.804 0 40 HJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 22516719 PZWCPWIHXJOPBG-OAQYLSRUSA-N 420.475 4.828 0 40 HJAB CCc1ccc([C@H](CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)N(C)C)cc1 22684097 WEFYMIQRKWQWIN-NRFANRHFSA-N 411.546 4.629 0 40 HJAB CC(C)c1nnc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)s1 24925177 WXLJZSGALSKAIT-UHFFFAOYSA-N 409.540 4.854 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)cs2)cc1 28288507 GWLCBVSDSMARNI-QGZVFWFLSA-N 410.539 4.562 0 40 HJAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2c(C)nn(CC(C)C)c2Cl)c(C)c1 29795811 MKDRHDUWTOZZQZ-MRXNPFEDSA-N 405.926 4.610 0 40 HJAB COc1ccc(OC)c(CCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1 29840443 HSGAMTASOFFVAR-DEOSSOPVSA-N 401.506 4.811 0 40 HJAB O=C(CNc1ccc(Br)cc1)Nc1cc(C2CC2)nn1-c1ccccc1 29980423 GVZKRZSZQXGIAX-UHFFFAOYSA-N 411.303 4.563 0 40 HJAB Cc1cc([C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)c(C)s1 40080816 MMHSEDUKBVTIOD-JTSKRJEESA-N 406.551 4.583 0 40 HJAB COc1cc2cc(C(=O)Nc3ccc(Cl)c4ncccc34)[nH]c2c(OC)c1OC 40082870 OOYBDXIYCIIUJX-UHFFFAOYSA-N 411.845 4.648 0 40 HJAB COc1ccccc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 40140094 VSOWIDAXEPWRQJ-UHFFFAOYSA-N 402.244 4.882 0 40 HJAB O=C(c1ccccc1)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 44915800 MNXNPNPZEABGQN-OAQYLSRUSA-N 416.496 4.907 0 40 HJAB CCOc1ccccc1NC(=O)N1CCC(Oc2nc3ccc(F)cc3s2)CC1 49443329 CPCKFHCRGUMLRE-UHFFFAOYSA-N 415.490 4.909 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 58161411 WZDQAAAMTKNMEJ-DEOSSOPVSA-N 419.500 4.693 0 40 HJAB CC(C)c1noc(CN2CCC3(CC2)C[C@H]3c2nc(-c3cccc(Cl)c3)no2)n1 69655426 LSCXVPREFFZKDB-INIZCTEOSA-N 413.909 4.666 0 40 HJAB O=[S@@](Cc1cc(Cl)c2c(c1)OCCCO2)Cc1cc(-c2ccccc2)on1 72273123 CUWLQXSWEFTWRR-HHHXNRCGSA-N 403.887 4.605 0 40 HJAB CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 96053056 WIABEZJQBFQXRW-IBGZPJMESA-N 410.583 4.668 0 40 HJAB O=C(C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21)N1CCCC1 96053219 NJYKZDDXOAIPHQ-OAQYLSRUSA-N 422.544 4.739 0 40 HJAB COCCn1ccc2ccc(C(=O)N[C@@H]3CCCc4c3[nH]c3ccc(OC)cc43)cc21 96220928 AEVRZMAHBWJPRW-JOCHJYFZSA-N 417.509 4.585 0 40 HJAB biogenic COc1cccc(-c2ccc3cc(C(=O)Nc4cccnc4)c(-c4cocn4)n3c2)c1 96267049 HZNVFJFFJGQVLL-UHFFFAOYSA-N 410.433 4.917 0 40 HJAB CCOCCn1/c(=N/C(=O)/C=C/c2ccccc2Cl)sc2cc(C)ccc21 100873276 RAXUGDCKLBREEY-GAZMVHPRSA-N 400.931 4.842 0 40 HJAB Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@H]3C2=O)c1 102736309 GLTQFBFWISJYOZ-BHIFYINESA-N 418.880 4.700 0 40 HJAB C[C@H]1CC[C@@H]2[C@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43CO)N2C1 118936395 NMFWDNZLNHRNAT-YVOQUZMQSA-N 413.646 4.627 0 40 HJAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 195530039 OIWJNXFQILPYHM-YCCFLXJFSA-N 410.543 4.639 0 40 HJAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219309469 JMJJWTSDIXKLDF-HXUWFJFHSA-N 417.456 4.814 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 223223797 SEAVLGFSSWNOAT-QHCPKHFHSA-N 408.586 4.876 0 40 HJAB Cc1ccc(SCCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223721919 WEPURJXAHNAHRT-FQEVSTJZSA-N 424.610 4.953 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(COc2cccc(C)c2)c1 224112941 BMTOGYGDUYSIQM-UHFFFAOYSA-N 405.450 4.622 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)c(C)c1 224294108 STROHCLMMBUSFM-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 224414532 DUTUOKLLQUZVJE-MIDMBNTASA-N 402.494 4.853 0 40 HJAB C[C@@H](CCc1ccccc1)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 224423604 PQBQPIHHGQYRNM-LSOGNMMWSA-N 404.535 4.657 0 40 HJAB Cc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224734794 INKXGWIUZHKNJM-OAQYLSRUSA-N 406.570 4.794 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224842353 FXBRXKFAUZPFNG-FQEVSTJZSA-N 424.560 4.851 0 40 HJAB CCn1c(=O)sc2cc(NC(=O)CSCc3ccc(Cl)cc3F)ccc21 225124281 HSAHNMKMFBTIEG-UHFFFAOYSA-N 410.923 4.747 0 40 HJAB CC(C)Oc1cccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 225585290 MJRSGJIONDREMK-UHFFFAOYSA-N 418.940 4.795 0 40 HJAB CCc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 225626414 ZNCROQYXLYOXTJ-HNNXBMFYSA-N 414.552 4.602 0 40 HJAB CCC(=O)NC[C@H]1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)CC1 257261933 LJJBQMKCGLTTEK-WKILWMFISA-N 422.554 4.744 0 40 HJAB c1ccc([C@]23CCc4ncc(-c5ccncc5)n4C[C@H]2N(Cc2ccco2)CC3)cc1 306141509 VYQVBDIBROBISY-AOYPEHQESA-N 410.521 4.697 0 40 HJAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc3ccccc23)ccc1OCC 408587280 SWBYVVIYOPUMQB-UHFFFAOYSA-N 414.483 4.608 0 40 HJAB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1/N=C(Cc2ccccc2)OC1=O 408845992 QEJBEQVSLLDGAJ-VCMQRGDASA-N 409.441 4.844 0 40 HJAB COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C1=O 409235683 PSOAPNYKBOUQNV-CPNJWEJPSA-N 417.914 4.992 0 40 HJAB O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 1623248348 GVZUQLAEHWGPEA-PZJWPPBQSA-N 411.933 4.864 0 40 HJAB COC(=O)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 728442 FYXXALGDHAJHQC-UHFFFAOYSA-N 405.237 4.996 0 40 HJAB Cc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1F 902102 BLMJDLOEEZLZHB-UHFFFAOYSA-N 411.380 4.934 0 40 HJAB O=C(Cn1nnc(-c2ccccc2)n1)N1c2ccccc2Sc2ccc(Cl)cc21 919933 QCYRHPWZHQEQIK-UHFFFAOYSA-N 419.897 4.823 0 40 HJAB CC(C)(C)C(=O)[C@@H](Oc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1Cl 1081427 SJDRWLQBNZCZBG-MRXNPFEDSA-N 424.280 4.693 0 40 HJAB CC[C@H](C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 1380247 IKBCFGDPZMYFSH-ICSRJNTNSA-N 414.571 4.548 0 40 HJAB Cc1ccc(-n2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)cc1Cl 2257237 OWYDMKLHXXBLPB-UHFFFAOYSA-N 407.905 4.504 0 40 HJAB O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1ccc(OC(F)(F)F)cc1 3329438 RJJRSVMELQYMCU-UHFFFAOYSA-N 422.186 4.616 0 40 HJAB O=C(COC(=O)/C=C/c1cccc(Cl)c1Cl)N[C@@H]1CCCc2ccccc21 3397114 PGMOJCXFFOXAFQ-IENJSVCTSA-N 404.293 4.744 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nc2ccccc2c1=O 3469099 GRRDDGOUJRTXMC-QZTJIDSGSA-N 421.566 4.576 0 40 HJAB COc1cccc(C(=O)N(Cc2ccccn2)c2nc3ccccc3s2)c1OC 4304770 TYKYSWGJJLLFNU-UHFFFAOYSA-N 405.479 4.556 0 40 HJAB O=C(c1ccccc1)N1CCN(P(=O)(Oc2ccccc2)Oc2ccccc2)CC1 4619859 IMDTUNILHDTZQW-UHFFFAOYSA-N 422.421 4.711 0 40 HJAB COc1cc(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc(Cl)c1OC 4799774 MSIZCADYCRWORV-GFCCVEGCSA-N 401.846 4.575 0 40 HJAB Cc1ccc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c(C)c1 4958737 VGYGDAKZEUTYLE-UHFFFAOYSA-N 413.905 4.823 0 40 HJAB Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)no1 5305251 MGIHRYBRIGSMMD-SFHVURJKSA-N 410.788 4.632 0 40 HJAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccc2c(c1)CCC2 5887651 AZFOEQKHQTUBQZ-UHFFFAOYSA-N 412.518 4.793 0 40 HJAB COc1cc(-c2nnc(S)n2-c2cc(Cl)cc(Cl)c2)cc(OC)c1OC 6136339 QWYSIUNGQLHMNG-UHFFFAOYSA-N 412.298 4.556 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2Cl)c1C 6368751 ZNCZSGNKZRNQFL-UHFFFAOYSA-N 420.962 4.630 0 40 HJAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccccc1OC(F)F 6559537 SSACHMWYBJNGDE-UHFFFAOYSA-N 408.455 4.614 0 40 HJAB C[C@@H]1CCc2sc(-c3nnc(SCC(=O)N4CCc5ccccc54)o3)cc2C1 7131434 NXTFTRIJTOXFKS-CYBMUJFWSA-N 411.552 4.604 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 7724224 MGCHHVOVVJCNCQ-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB Cc1csc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2CC(C)C)n1 8389525 LSPXEAMULQGAPP-CYBMUJFWSA-N 419.551 4.624 0 40 HJAB CC(C)c1nnc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)s1 8613715 XXAQAYSGULWEJZ-UHFFFAOYSA-N 423.926 4.789 0 40 HJAB Cc1nnc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)n1-c1ccccc1 8708592 QHNIWQSJAAOUKZ-UHFFFAOYSA-N 400.507 4.974 0 40 HJAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)NCCc1c[nH]c2ccccc12 9254644 URJBXPSKSWKBNT-VWLOTQADSA-N 415.562 4.536 0 40 HJAB C[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 9602848 DFXNYVDRYBJMKD-HNNXBMFYSA-N 419.447 4.827 0 40 HJAB Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)Cc1ccc(-c2ccccc2)cc1 9617080 GRPYSLANGGRQIM-UHFFFAOYSA-N 403.869 4.505 0 40 HJAB COc1ccc(OCC(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 10120447 YVOLSYOPMWEPQR-UHFFFAOYSA-N 416.477 4.815 0 40 HJAB Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(Cl)cc1Cl 10729886 GFLLUOIHJOHPSR-UHFFFAOYSA-N 417.086 4.860 0 40 HJAB COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccccc4Cl)c3)cn2n1 12441255 JTYABUZRVSYNQY-UHFFFAOYSA-N 413.264 4.964 0 40 HJAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1cccc(NC(=O)[C@H]2CCCO2)c1 12742940 IVEKFTXKOVIUJF-TZIWHRDSSA-N 424.497 4.524 0 40 HJAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(Cc1ccc(C(=O)Nc3ccccc3)cc1)C2=O 12975777 XAVWJXQTTYTAGF-GKVSMKOHSA-N 419.525 4.576 0 40 HJAB COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2F)cc1 13788151 YXYNXTQFFLNSEK-UHFFFAOYSA-N 402.425 4.523 0 40 HJAB O=C(CCNC(=O)c1ccccc1Cl)O[C@@H](c1cc(F)cc(F)c1)C(F)(F)F 14241883 POGTYOKRLOFHJA-INIZCTEOSA-N 421.749 4.585 0 40 HJAB COc1ccc(CNC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 15881118 QZZQQFULDMAQOL-UHFFFAOYSA-N 417.505 4.918 0 40 HJAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C(F)(F)F)cc2)o1 15881395 AIORRHKBCPLANC-UHFFFAOYSA-N 414.387 4.911 0 40 HJAB Cc1cc(C)cc(NC(=O)CCc2csc(NC(=O)NC3CCCCC3)n2)c1 16978816 IIFWCQXISJOPOQ-UHFFFAOYSA-N 400.548 4.785 0 40 HJAB COc1cc(NC(=O)c2ccc(C)c(Cl)c2)ccc1N1C(=O)c2ccccc2C1=O 17092449 WPXCFQYQCVWNSI-UHFFFAOYSA-N 420.852 4.710 0 40 HJAB CCn1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1cc2ccccc2cc1O 18209026 BPWWRYZRCLWZRU-UHFFFAOYSA-N 412.559 4.561 0 40 HJAB Cc1ccsc1-c1nnc(C2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)o1 19238720 KRBUKGVFWNJUSW-UHFFFAOYSA-N 417.918 4.868 0 40 HJAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN(Cc4cccnc4)C3)cc(C(F)(F)F)c12 19695956 IYUVHPZAHJLGRC-HNNXBMFYSA-N 418.467 4.572 0 40 HJAB COc1c(C)cc(Br)cc1C(=O)Nc1cccc(-c2ccc(CO)o2)c1 20143122 RXTGUWCHRSVEAR-UHFFFAOYSA-N 416.271 4.771 0 40 HJAB O=c1[nH]c(CN2CCC[C@@H](c3nc4ccccc4s3)C2)nc2ccc(Cl)cc12 23883179 ADDFQFSAAUPMPW-CYBMUJFWSA-N 410.930 4.566 0 40 HJAB O=C(CSc1nccn1-c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1 24843047 JLPJCBUNFXYSLO-UHFFFAOYSA-N 415.522 4.666 0 40 HJAB O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCC[C@H]1Cc1ccccc1 25173841 SAUUZQJNCJNSLZ-FQEVSTJZSA-N 417.475 4.551 0 40 HJAB C[C@@H](Oc1ccccc1Br)C(=O)NCc1cccc(C(F)(F)F)c1 27974899 VXMATURAHBSLCT-LLVKDONJSA-N 402.210 4.552 0 40 HJAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 32876144 XRINXNLVVIULQM-JOCHJYFZSA-N 414.553 4.543 0 40 HJAB O=C(Cc1cnn(-c2ccccc2)c1)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 32900156 FMVGCQAHZLVSFS-XMMPIXPASA-N 420.516 4.844 0 40 HJAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(c2nsc3ccccc23)CC1 33585038 RGYYHCRKEHCPHT-UHFFFAOYSA-N 417.534 4.838 0 40 HJAB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C 34878888 GAVPTDTXMURNDZ-GFCCVEGCSA-N 421.353 4.905 0 40 HJAB CC(=O)Nc1nc(CSc2nc3ccccc3n2CCc2ccccc2)cs1 39589324 RVJLLEHRHVKPMO-UHFFFAOYSA-N 408.552 4.986 0 40 HJAB CCN(Cc1ccc2c(c1)OCCO2)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 40067014 QYVKXBBYFIEDLD-UHFFFAOYSA-N 419.403 4.549 0 40 HJAB O=C(c1cc(Br)ccc1Cl)N1CCCN(Cc2cccs2)CC1 40089157 PJOWHIKNSMFVKV-UHFFFAOYSA-N 413.768 4.512 0 40 HJAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCn2cccc2[C@@H]1c1ccccc1 45249408 QDIDRCHIKDCOQK-VWLOTQADSA-N 404.558 4.522 0 40 HJAB CCOC(=O)c1sc2nc(C)nc(NCc3ccccc3N3CCCC3)c2c1C 48314732 ZDNHSXCPRKKQQY-UHFFFAOYSA-N 410.543 4.697 0 40 HJAB Cc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1C 57487310 ASPHLCSMBCDLRF-UHFFFAOYSA-N 420.900 4.792 0 40 HJAB COc1ccc(CN2CCC(c3cc4c(C)c(OC)ccc4cn3)CC2)c(OC)c1 57773345 KKIHTVQFYYAHET-UHFFFAOYSA-N 406.526 4.949 0 40 HJAB COc1ccc(NC(=O)N[C@H](c2cccs2)C(C)(C)C)cc1N1CCCC1=O 58203455 MFPFHQDCQODXLY-LJQANCHMSA-N 401.532 4.792 0 40 HJAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc(N(C)C)cn1 58406295 KJWOZRNWUNVPMR-UHFFFAOYSA-N 406.433 4.851 0 40 HJAB O=C(Nc1nc2cc(F)c(F)cc2s1)c1cnc(OCC(F)(F)F)c(Cl)c1 58779750 LKIWLYCTXDPMSQ-UHFFFAOYSA-N 423.750 4.816 0 40 HJAB Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@H]4C[C@@]5(C)CCC[C@@H](C)C5=C[C@H]43)C[C@@H]2C)c1 63684324 SAOYGWVUOAMNQH-LNKOHFBPSA-N 422.613 4.820 0 40 HJAB O=C(Nc1nnc(SCc2cccnc2)s1)C1(c2cccs2)CCCC1 70635096 BNGVBTPLASJIHN-UHFFFAOYSA-N 402.570 4.737 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(=O)[nH]c2ccc(Br)cc12 71328493 UMGBWCLZOPDOQV-UHFFFAOYSA-N 411.177 4.562 0 40 HJAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 77200128 HRQSPBRBXCQAJH-ROUUACIJSA-N 406.404 4.995 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)n1nccc1-c1ncc(C(F)(F)F)cc1Cl 91695661 UFZSCSMOFULEFQ-UHFFFAOYSA-N 422.215 4.508 0 40 HJAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCCCc1nc2ccccc2[nH]1 95479481 AMRONPZZVUIMDI-LJQANCHMSA-N 420.944 4.941 0 40 HJAB Cc1ccc(NC(=O)[C@]23C(=O)Oc4ccccc4[C@@H]2[C@@]3(C)C(=O)c2ccccc2)cc1 100150359 ZCAFZRHANIOLSM-NYMACZPPSA-N 411.457 4.526 0 40 HJAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118932780 VCWDOHJFKGOMRJ-AYNSAJDNSA-N 402.575 4.983 0 40 HJAB O=C(Nc1ccccc1)/C(=C\c1cccnc1Cl)C(=O)Nc1ccc2c(c1)CCC2 215740001 LGGKZDSOPUTYNT-RCCKNPSSSA-N 417.896 4.885 0 40 HJAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCS[C@@H](c2ccccc2F)CC1 219155916 IIQZYQVXDNUENA-QGZVFWFLSA-N 419.465 4.713 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219324686 XINHWDQSPJWDHQ-MOPGFXCFSA-N 403.906 4.925 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 222506765 GZVGIIAESCBXGG-HXUWFJFHSA-N 418.990 4.764 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)ccc1Cl 222858340 YWSQZEKZPMSLBO-ZDUSSCGKSA-N 420.296 4.778 0 40 HJAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)nc1 224156465 HLWHISPUASAFPY-XZOQPEGZSA-N 411.534 4.753 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 224632835 QEEOQZFZIXXEHX-KRWDZBQOSA-N 418.990 4.517 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 225041424 VYMNKZBPMHNLHP-SFTDATJTSA-N 424.585 4.829 0 40 HJAB C[C@@H](NC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCC2)n1)c1ccccc1 225957855 DMRDYGUZYNXPOM-GOSISDBHSA-N 424.618 4.505 0 40 HJAB C[C@@](Cc1cccc(F)c1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 231687063 YEBXKZJYYWUHHK-VWLOTQADSA-N 419.452 4.750 0 40 HJAB COc1cccc2[nH]c(C(=O)N3CCC[C@@H]3c3ncc(Cc4cccc(F)c4)o3)cc12 257275753 NQSYQJDJVMJDDF-OAQYLSRUSA-N 419.456 4.872 0 40 HJAB CCOc1ccccc1N(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 408623183 DSGUDMWRHBHNFM-UHFFFAOYSA-N 411.523 4.798 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 409138012 YSZRLIWRZMNHAT-UHFFFAOYSA-N 422.550 4.776 0 40 HJAB O=C(OC1CCCCC1)N1CCC2(CC1)Cc1ccccc1CN(CC1CC1)C2=O 585105862 VLMSEWLQQDSPOB-UHFFFAOYSA-N 410.558 4.533 0 40 HJAB Cc1c(Cl)cccc1NC(=O)C[C@H](Cc1ccc(Br)cc1)C(=O)O 864895 JABSKKCKHRXDTG-ZDUSSCGKSA-N 410.695 4.683 0 40 HJAB CCOC(=O)[C@H](CC)Sc1nnc(COc2ccc(C)cc2)n1-c1ccccc1 875829 CUADGQFGMOKBNQ-IBGZPJMESA-N 411.527 4.589 0 40 HJAB Cc1cccc(NC(=S)N2CCN(c3nc(-c4ccccc4)cs3)CC2)c1C 1349626 UEXJIAAWBAKLIX-UHFFFAOYSA-N 408.596 4.946 0 40 HJAB COc1cc([C@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1OC 2146008 BICFVLAOOAUYSK-NOZRDPDXSA-N 420.461 4.614 0 40 HJAB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2cc(Br)c(OC)cc12 2286881 JPEDOZGEMIRAOI-UHFFFAOYSA-N 418.287 4.895 0 40 HJAB biogenic COc1cc2[nH]c3c(N4CCC(Cc5ccccc5)CC4)ncnc3c2cc1OC 2432979 KWAMCFABGYOYCN-UHFFFAOYSA-N 402.498 4.587 0 40 HJAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cccc(OC)c1 2446862 HAAHPYSQDWZYCF-UHFFFAOYSA-N 418.522 4.858 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2nnc(Nc3c(C)cccc3C)s2)cc1 2634768 AAXIMSPVJBPZQC-UHFFFAOYSA-N 412.540 4.832 0 40 HJAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)c(Cl)c2)cc1 2723229 SIJCJTHUBDAUOO-UHFFFAOYSA-N 401.919 4.964 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)c2ccccc2Cl)cc1)c1c(F)cccc1F 3116776 QJOCAYTZJPGZHM-UHFFFAOYSA-N 407.825 4.703 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CCc1ccccc1)CC2 3230592 JDYGBTPFYBWHMT-XMMPIXPASA-N 407.535 4.872 0 40 HJAB COc1ccc(-c2nnc(NC(=O)c3cc(Cl)cc(Cl)c3)s2)c(OC)c1 3268339 PPMCCRNWOJATIC-UHFFFAOYSA-N 410.282 4.781 0 40 HJAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)N[C@H]1CCCc2ccccc21 3365050 AZMRKALMIGJPMQ-KRWDZBQOSA-N 413.593 4.949 0 40 HJAB Cc1nc(-c2ccccc2)sc1CCNC(=O)c1ccccc1Br 4392433 PYFGYMIMFVLLIR-UHFFFAOYSA-N 401.329 4.854 0 40 HJAB C[C@@H]1C[C@@H](C)CN(C(=O)CCC(=O)Nc2ccc(OCCc3ccccc3)cc2)C1 4682596 NCNMSXIWNRRYJL-WOJBJXKFSA-N 408.542 4.531 0 40 HJAB Cc1ccc(-c2nc(NCc3ccc(F)cc3)n(C(=O)COc3ccccc3)n2)cc1 4783726 YHMAQAWJYVITEW-UHFFFAOYSA-N 416.456 4.724 0 40 HJAB COc1cccc(C2(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)CCCC2)c1 4908353 IKMWFSNBMQLSAD-UHFFFAOYSA-N 417.431 4.649 0 40 HJAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2cc3ccccc3cc2O)c1Cl 5079384 YVDHTBVBJMGXPT-UHFFFAOYSA-N 404.249 4.956 0 40 HJAB C[C@@H](NC(=O)c1ccccc1I)C12CC3CC(CC(C3)C1)C2 5443989 CMRONBPCJAEZIO-XUXNNNHQSA-N 409.311 4.626 0 40 HJAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)N1N=NN(c3ccccc3)C1=N2 6831381 LRKCKYZHIKIHLT-OAQYLSRUSA-N 406.453 4.771 0 40 HJAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cccc(Oc2ccccc2)c1 8187199 MMKDCLWZLJRFPP-NRFANRHFSA-N 416.477 4.640 0 40 HJAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 9159899 XFQYMRNCZBUERV-XFVVDRBPSA-N 403.544 4.654 0 40 HJAB Cc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1C 9514724 OCVGTPAXFSCZGU-NRFANRHFSA-N 407.510 4.791 0 40 HJAB CC[C@@H]1CCCCN1C(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 9784919 RHINKGLUVCVQHD-MRXNPFEDSA-N 406.939 4.774 0 40 HJAB Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1NS(=O)(=O)c1ccccc1 10371041 CPICCLCGNXPERD-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB COc1ccc(CCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1OC 12541476 WESJEFAWZODELQ-UHFFFAOYSA-N 407.495 4.651 0 40 HJAB CCc1cccc(OCC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)c1 12599220 MXNUHOIQSQTLJL-UHFFFAOYSA-N 403.404 4.530 0 40 HJAB COc1cc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc(Cl)c1OC 12789907 NISRGZWSTRLESV-UHFFFAOYSA-N 403.906 4.548 0 40 HJAB O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 12802184 HJHVGCKJPIMUSD-VQHVLOKHSA-N 417.336 4.562 0 40 HJAB CCN(C(=O)CSc1nnc(-c2ccccc2Br)o1)C1=CCCC1 12914273 QQAXUVRQXZQGAS-UHFFFAOYSA-N 408.321 4.508 0 40 HJAB CC(C)Cc1cc(-c2nn3c(COc4ccc(Cl)cc4Cl)nnc3s2)n[nH]1 13552614 CPJWMAZHDYTURH-UHFFFAOYSA-N 423.329 4.660 0 40 HJAB O=C(O)c1cc(-c2cccs2)nc2c3c(C4CC4)cc(C(F)(F)F)nc3nn12 13645423 MAOLBULVDNHZDT-UHFFFAOYSA-N 404.373 4.600 0 40 HJAB COc1ccc(-c2nn(CN(Cc3ccccc3)CC(F)(F)F)c(=S)[nH]2)cc1 14223075 XDLQUBVWNBLJSQ-UHFFFAOYSA-N 408.449 4.638 0 40 HJAB COc1ccc([C@H](CNC(=O)Cc2ccc(Cl)c(Cl)c2)N2CCCCC2)cc1 15317715 GDOIZIIIUMTIQH-NRFANRHFSA-N 421.368 4.888 0 40 HJAB Cc1ccc(CNc2cnn(CCOc3ccc(Cl)cc3)c(=O)c2Cl)cc1 16737808 NVWKOEVAVFWLJQ-UHFFFAOYSA-N 404.297 4.550 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 17087545 DNQZYBRPLKFLKY-UHFFFAOYSA-N 406.873 4.870 0 40 HJAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccc(Br)c1 17092568 CIAPROBVJYPCFD-UHFFFAOYSA-N 421.250 4.502 0 40 HJAB OC1(c2ccc(C(F)(F)F)cc2)CCN(Cc2c[nH]nc2-c2cccs2)CC1 19343902 FIFHRIKSVJQHOZ-UHFFFAOYSA-N 407.461 4.641 0 40 HJAB Cc1nc([C@H]2CCCN(Cc3ccc(-c4ccccc4)cc3)C2)ncc1C(=O)N(C)C 19763094 RSMFDTWMIZGYHN-QHCPKHFHSA-N 414.553 4.533 0 40 HJAB COc1cc(NC(=O)CCc2sc(C)nc2-c2cccs2)cc(OC)c1OC 19819595 ZSMMKUUUWZUDAD-UHFFFAOYSA-N 418.540 4.777 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2ccc(C)c(C)c2)cc1 19946981 NEOGESDHVVBTPZ-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(I)cc2)cc1 20039804 VHRVKGPWOMTQND-SFHVURJKSA-N 423.294 4.817 0 40 HJAB Cc1cccc(-n2c(S[C@@H]3CCCCNC3=O)nnc2-c2ccc(Cl)cc2)c1 22201742 XRGSQXZZUKYOGW-GOSISDBHSA-N 412.946 4.657 0 40 HJAB O=C(Nc1ccccc1-c1nc(-c2ccccn2)no1)c1ccc(Br)cc1 22458584 WPYBXAPJSWSOBK-UHFFFAOYSA-N 421.254 4.813 0 40 HJAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1 22976116 MWEFLXGHWRQWSF-UHFFFAOYSA-N 403.438 4.744 0 40 HJAB COc1ccc(CCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1OC 24030903 KNSNKQQJXSTCPS-UHFFFAOYSA-N 410.495 4.589 0 40 HJAB CCCn1c(SCc2cc(=O)n3ccccc3n2)nc2ccc(C(F)(F)F)cc21 24752338 WMJLRXVXCYJRRF-UHFFFAOYSA-N 418.444 4.765 0 40 HJAB CN1CCN(C(=O)c2ccc(C3SCCCS3)cc2)c2nc3ccccc3nc21 25091351 BLFFGMPSXDXJMK-UHFFFAOYSA-N 422.579 4.595 0 40 HJAB C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1ccccc1C(F)(F)F 27974805 NTQGWPDSLTZKFX-LLVKDONJSA-N 402.210 4.552 0 40 HJAB COc1ccc(-c2noc(-c3sc(NC(=O)c4ccc(F)cc4)nc3C)n2)cc1 31812574 WDDKXCHTHZDPMA-UHFFFAOYSA-N 410.430 4.569 0 40 HJAB CCn1c(CN2CCCCCC2=O)nnc1SCCOc1ccc2ccccc2c1 32827008 FTODTYROUUZBNI-UHFFFAOYSA-N 424.570 4.525 0 40 HJAB COc1ccc(CN2CCCN(C(=O)c3sc4ccccc4c3Cl)CC2)cc1 32860422 ZHAXWLUKDWANMV-UHFFFAOYSA-N 414.958 4.911 0 40 HJAB Cc1c(-c2cnn(C)c2C)nn(-c2ccc(Cl)c(Cl)c2)c1-c1cnn(C)c1C 36611647 APNMLNZIKDVMBG-UHFFFAOYSA-N 415.328 4.905 0 40 HJAB COC(=O)c1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 44901388 MDPBINRSDAPZAT-UHFFFAOYSA-N 400.478 4.678 0 40 HJAB CCCCN(Cc1nc(=O)c2cc(OC)c(OC)cc2[nH]1)[C@H](CC)c1ccccc1 72285248 NCBDFFUXXOQBOY-HXUWFJFHSA-N 409.530 4.694 0 40 HJAB Cc1ccccc1NC(=O)Cc1nc(CN2CCSC[C@H]2c2ccccc2)cs1 72309169 TYYZHRJASOZBNC-NRFANRHFSA-N 423.607 4.923 0 40 HJAB CCOc1cc(C(=O)NCc2ccc(OC(C)C)cc2)cc(OCC)c1OCC 72331510 VXSCWQGMVHNKSF-UHFFFAOYSA-N 401.503 4.600 0 40 HJAB COc1ccc(CCC(=O)N2CCC(c3cncc(-c4cccc(F)c4)n3)CC2)cc1 72359560 IWCGLUVPWKPABA-UHFFFAOYSA-N 419.500 4.630 0 40 HJAB Cc1ccc2nc(NS(=O)(=O)c3cc(C)c(C)cc3Br)sc2c1 72414494 BJPJVMKVNTZFIN-UHFFFAOYSA-N 411.346 4.785 0 40 HJAB COCC1(C)CCN(C(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)CC1 95459626 ZPWQWYYGXUMJGM-UHFFFAOYSA-N 420.557 4.876 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3[C@@H](O)C(=O)[C@@]21C 118924637 JUIAJKQHOKYMHP-VFGUNHDWSA-N 404.591 4.775 0 40 HJAB C[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl)c1ccc(C(C)(C)C)cc1 222518716 HNOWPKIFWIMTCV-AWEZNQCLSA-N 422.978 4.524 0 40 HJAB Cc1ccc(CN(C(=O)CCSc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222750825 BGCOYGOFOPXONK-LJQANCHMSA-N 412.599 4.809 0 40 HJAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl 222822023 ZPOBFLHPAWKBAO-LBPRGKRZSA-N 413.732 4.700 0 40 HJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)O)o1 222937602 MDSUZXFZYZXZGQ-LEWJYISDSA-N 421.522 4.668 0 40 HJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)O)o1 222937661 MDSUZXFZYZXZGQ-NHCUHLMSSA-N 421.522 4.668 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 222948894 SUHPYSGAWWHMCK-HXUWFJFHSA-N 412.599 4.562 0 40 HJAB CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223121841 AXYCGYIJPIKSOF-JOCHJYFZSA-N 400.950 4.606 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C1CCCC1 223305753 YOZYDRGELFCJFP-VJBMBRPKSA-N 424.614 4.767 0 40 HJAB Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccco1 223354871 LLPGALRXDCRWAX-PKTZIBPZSA-N 414.534 4.946 0 40 HJAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1C 223426294 YIYXARRHHFHDTM-IBGZPJMESA-N 422.550 4.904 0 40 HJAB COc1cccc(OCc2cc(C(=O)Nc3cc(C)ccc3OC)ccc2OC)c1 224255551 JDRQFBLXIRUKTP-UHFFFAOYSA-N 407.466 4.852 0 40 HJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2C)cc1 225055433 KIIPZFNCMFBRSM-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCc1ccc(Cl)cc1 225097759 WOIRZRDSQDZBJG-QNGOZBTKSA-N 424.953 4.840 0 40 HJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 225738406 SEBRMDDVXANVTJ-UHFFFAOYSA-N 424.547 4.529 0 40 HJAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1 251293166 XYMNLQKAYZPYAG-CWRNSKLLSA-N 421.488 4.868 0 40 HJAB O=C(COc1ccccc1Cl)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257241842 HZWABZLVAMKROQ-IBGZPJMESA-N 414.864 4.800 0 40 HJAB COc1cc(C)ccc1CNc1cc(-c2c[nH]nc2[C@H]2CCN(C(C)C)C2)ccn1 257253025 JXHQBHUXMKSZCM-FQEVSTJZSA-N 405.546 4.599 0 40 HJAB COc1ccccc1C(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257324233 WNTQKUIPSZATBM-QGZVFWFLSA-N 410.901 4.947 0 40 HJAB CCOc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 408627850 QFGZPBDKWOYAGH-UHFFFAOYSA-N 411.523 4.798 0 40 HJAB CCOC(=O)N[C@H](CC(=O)Nc1ccc(Br)cc1C)c1ccccc1 408978068 GWYUHZSDIDDDQW-QGZVFWFLSA-N 405.292 4.574 0 40 HJAB CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409096371 JZHYSGMIJRBTJW-UHFFFAOYSA-N 416.934 4.667 0 40 HJAB CC(=O)N1CCCCCCCN(C(=O)c2cnc(C(C)C)nc2)Cc2ccccc21 643553345 NEOCNGZIZCUBCB-UHFFFAOYSA-N 408.546 4.559 0 40 HJAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 835061 IXDPWPPYOXAZKB-UHFFFAOYSA-N 414.914 4.559 0 40 HJAB COc1ccc(N[C@@H](c2ccc(C)cc2)n2ncc3c(=O)n(C)c4ccccc4c32)cc1 1095990 NHNDMGXLBVLYPA-RUZDIDTESA-N 424.504 4.864 0 40 HJAB O=C(Nc1ccc2c(c1)nc1n2CCN(Cc2ccco2)C1)c1ccc(Cl)cc1 1432710 QAUYNCLKUHOJQL-UHFFFAOYSA-N 406.873 4.551 0 40 HJAB O=C(O)c1ccccc1C(=O)Nc1cc2c(cc1Br)-c1ccccc1C2=O 1687557 PCTWMIAAJZTNHU-UHFFFAOYSA-N 422.234 4.611 0 40 HJAB in-vitro Cc1cccc2c(Cc3nn4c(-c5ccc(C(F)(F)F)cc5)nnc4s3)noc12 2183272 JWXWXVUBNIPLIN-UHFFFAOYSA-N 415.400 4.912 0 40 HJAB CCCCNC(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 2262447 WOVQHEGCERNOTF-GXSJLCMTSA-N 406.861 4.788 0 40 HJAB CC(=O)CSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 2397365 PZHARHKHSIGMOB-UHFFFAOYSA-N 421.341 4.992 0 40 HJAB O=C(COC(=O)c1cc(Br)ccc1O)c1ccc(-c2ccccc2)cc1 3225208 NOJMUUPLWRLEPI-UHFFFAOYSA-N 411.251 4.861 0 40 HJAB Cc1cccc(Cn2cc(SCC(=O)Nc3nnc(C)s3)c3ccccc32)c1 4059690 HKQMALMYRIIEOU-UHFFFAOYSA-N 408.552 4.889 0 40 HJAB CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cc(OC)ccc1OC)C2 4910797 AFVJXIDOPXBTFX-MRXNPFEDSA-N 413.514 4.990 0 40 HJAB C[C@@H]1CCN(C(=O)CSc2nnc(Cc3ccccc3)o2)c2ccccc2S1 4934346 OYCMMIDOPPTERO-OAHLLOKOSA-N 411.552 4.670 0 40 HJAB CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(OC)c(OC)c2)cc1 5256217 LCIMZPZYOMTPTH-HSZRJFAPSA-N 421.497 4.541 0 40 HJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1coc2ccc3ccccc3c12 5578898 LTYVSBIBLYZPCA-UHFFFAOYSA-N 419.433 4.571 0 40 HJAB COc1cccc(-c2nc(CSc3nncn3-c3ccccc3OC)cs2)c1 6534828 JNNQIJZNDPWHCG-UHFFFAOYSA-N 410.524 4.700 0 40 HJAB CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cccc(C)c1C)S2 6812228 ZZNTWNLYBQRVBK-NHCUHLMSSA-N 421.570 4.554 0 40 HJAB C[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)NC1CCCCC1 6911791 MDDGTKFHSLQBPI-OAHLLOKOSA-N 412.584 4.925 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc([C@H](C)CC)cc2)sc2c1CCC2 7072878 CIUGMXIZGUWECZ-CQSZACIVSA-N 401.528 4.945 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 7360862 TWRKQINTNOEUQK-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB COc1ccc(CCNC(=O)c2ccccc2SCc2ccccc2)cc1OC 7684705 KNDRDZFRYKFAAM-UHFFFAOYSA-N 407.535 4.969 0 40 HJAB COC(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)n1-c1cc(C)ccc1C 8132843 MMPAWFHYWCTGGB-AWEZNQCLSA-N 401.919 4.858 0 40 HJAB CC(=O)N(c1ccccc1)c1nc(CSc2nc(-c3cccs3)n[nH]2)cs1 8230513 WEXAZKJYZRFGNC-UHFFFAOYSA-N 413.553 4.967 0 40 HJAB Cc1ccc(C)c(-c2nn(CC(=O)Nc3ccc4c(c3)CCC4)c(=O)c3ccccc23)c1 8263472 NHUKPTPUJKAKGB-UHFFFAOYSA-N 423.516 4.808 0 40 HJAB Cc1cc(C)n(CCCNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)n1 8323831 DFLCMNYDPUPLPQ-UHFFFAOYSA-N 400.482 4.642 0 40 HJAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccccc3)ccc21 8959246 HJZLMLZPCYRTOG-UHFFFAOYSA-N 410.514 4.502 0 40 HJAB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)cc1Cl 9443735 XQTXNPOTAXTPGB-SFHVURJKSA-N 420.296 4.659 0 40 HJAB Cc1ccc(Nc2nc(CSc3nnc(NC[C@@H]4CCCO4)s3)cs2)cc1 9512689 XDAWHFBAIJRLQU-HNNXBMFYSA-N 419.601 4.930 0 40 HJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCc2[nH]c3ccccc3c2C1 9956215 SMTBYCAGEYBZAV-UHFFFAOYSA-N 405.479 4.582 0 40 HJAB Cn1c(C(=O)NC2CCCCCCCCCCC2)cc2c(=O)n3ccccc3nc21 11691371 IZMJOHOOTZIUKC-UHFFFAOYSA-N 408.546 4.589 0 40 HJAB Cc1oc(-c2ccccc2)nc1COC(=O)c1nnn(-c2ccc(Cl)cc2)c1C 12415628 VGBJZMMHMSWLQS-UHFFFAOYSA-N 408.845 4.550 0 40 HJAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)N[C@H]1CCSc2ccc(Cl)cc21 12620532 PTHMANSYLBNBQN-LBPRGKRZSA-N 422.988 4.676 0 40 HJAB CCCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 12789966 YQGMSIFWHKNZRW-UHFFFAOYSA-N 408.951 4.575 0 40 HJAB CCCc1ccc(-c2nc(NC(=O)[C@H]3CCCN(c4ncccn4)C3)sc2C)cc1 12817493 CYVZUORHMIOYHG-IBGZPJMESA-N 421.570 4.716 0 40 HJAB CN(C(=O)CSc1nc(-c2ccccc2)n[nH]1)C(c1ccccc1)c1ccccc1 13013197 CWFYBFLGFXWFNC-UHFFFAOYSA-N 414.534 4.812 0 40 HJAB CC[C@@H](C)c1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1 15517268 WDDACCBTCPUAMR-FOIQADDNSA-N 417.962 4.655 0 40 HJAB CCOc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 18209642 LZWNHSISNSUVEN-PBHICJAKSA-N 420.391 4.787 0 40 HJAB O=C(c1ccccn1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373246 XTXANPIRMSWPCW-JOCHJYFZSA-N 422.492 4.655 0 40 HJAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CCCC2)C1 19528853 INAVZMDELWADSQ-DEOSSOPVSA-N 410.583 4.503 0 40 HJAB Cc1c(-c2csc(NC(=O)[C@H](C)n3c(C(C)C)nc4ccccc43)n2)cnn1C 19667011 OMJMTTUJOWZMBL-AWEZNQCLSA-N 408.531 4.525 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)sc2c1CCCC2 20043649 HPABSBFHRHDXNU-CYBMUJFWSA-N 419.568 4.932 0 40 HJAB O=C(NC1CCCCCC1)c1nn(Cc2ccccc2Cl)c(=O)c2ccccc12 20495175 FXCSDOJIOMUXDW-UHFFFAOYSA-N 409.917 4.551 0 40 HJAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(C/C=C/c2ccccc2)CC1 20622028 KDXKNDHXKWXFLX-JXMROGBWSA-N 423.516 4.966 0 40 HJAB O=C(CSc1ncnc2sc3c(c12)CCC3)NC1CCC(C(F)(F)F)CC1 23405664 CHSMGHWWQAHDFA-UHFFFAOYSA-N 415.506 4.509 0 40 HJAB Cc1ccc(Cn2ncc3c2N=C(O)C[C@@]32C(=O)Nc3ccc(C(C)C)cc32)cc1 32094884 FULVCMCMTCSIFG-DEOSSOPVSA-N 400.482 4.593 0 40 HJAB O=C(c1ccsc1)N1CCC(C(=O)N(Cc2ccccc2)c2ccccc2)CC1 32772363 UFWVPUYTIHDLNV-UHFFFAOYSA-N 404.535 4.834 0 40 HJAB COc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1C 33095196 NIGSAJDKXOMBQE-QGZVFWFLSA-N 407.297 4.554 0 40 HJAB Cc1ccc(/C=C2/SC(=O)N(CNc3ccccc3Br)C2=O)cc1 33510966 XERAEZQPLHJZJB-MHWRWJLKSA-N 403.301 4.863 0 40 HJAB CCOc1ccccc1NC(=O)[C@@H](NCCc1ccc(OC)cc1)c1ccccc1 36310628 OZILGBPDXRRJCV-DEOSSOPVSA-N 404.510 4.606 0 40 HJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)CSc1ccc2c(c1)CCC2 40052454 LDZSUYKVSKERSM-UHFFFAOYSA-N 401.482 4.671 0 40 HJAB CCOCCCC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 40132461 UUKRNMXUEDDGMM-IBGZPJMESA-N 405.420 4.604 0 40 HJAB Cc1cc(OCc2cc(=O)n3nc(-c4cccs4)sc3n2)cc(C)c1Cl 41076388 UWFWYIUNFXJNMZ-UHFFFAOYSA-N 403.916 4.729 0 40 HJAB Cc1ccc2c(Nc3ccc(C)c(Cl)c3)c(C(=O)N3CCSCC3)cnc2n1 49004903 RXXPZSHLHJDRNP-UHFFFAOYSA-N 412.946 4.833 0 40 HJAB CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cc4ccccc4o3)cc2s1 57312859 GBXWIPROCHBUCP-UHFFFAOYSA-N 424.507 4.518 0 40 HJAB CC[C@H](C)n1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2cc(C)[nH]c2c1=O 67239146 HKKICPPSQWKTOE-HNNXBMFYSA-N 412.559 4.858 0 40 HJAB O=C(CSc1nccn2nc(-c3cccs3)cc12)Nc1ccc(Cl)cc1 67290150 RTRKSQONFDUCHR-UHFFFAOYSA-N 400.916 4.842 0 40 HJAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(F)cc3F)oc12 67295697 GVTPQMABCGZDFG-VYIQYICTSA-N 421.403 4.908 0 40 HJAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl 72010949 IDBAXQTVRPTRAX-SNVBAGLBSA-N 415.704 4.755 0 40 HJAB Cc1nn(-c2ccccc2)c2c1O[C@@]1(C)C[C@@]2(C)Oc2c1c(C)nn2-c1ccccc1 101377020 XSNANFWZQOGKCN-LOSJGSFVSA-N 412.493 4.980 0 40 HJAB C[C@H](NC(=O)CSc1ccccc1C(=O)NCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 104751143 IYGPFJVTDNCUNW-UTYWTXRGSA-N 422.594 4.650 0 40 HJAB COC(=O)CC[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(=O)C[C@@]21C 123285872 XAAOVQCJMNBXLL-CGGPLAQRSA-N 404.591 4.775 0 40 HJAB Cc1cccc2c(C(=O)NCC(C)(C)N3CCCCC3)cc(-c3cccnc3)nc12 141550544 MURBKLSZQFLHGG-UHFFFAOYSA-N 402.542 4.600 0 40 HJAB CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1COc1ccccc1C 224370810 WNZVTJXJJUKHQM-UHFFFAOYSA-N 419.521 4.954 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 224656804 GNADRPCJWZESGZ-QHCPKHFHSA-N 424.585 4.570 0 40 HJAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O 224858984 OJNANMURXFWONR-IRXDYDNUSA-N 401.944 4.988 0 40 HJAB Cc1cc(C)c(C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1C 225652984 ONBCVGMVWVWDMT-UHFFFAOYSA-N 414.303 4.697 0 40 HJAB CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 227486265 NZULXNUKOTWIDD-URXFXBBRSA-N 401.466 4.731 0 40 HJAB Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 260712514 IACKDRPTASIGSB-QGZVFWFLSA-N 421.570 4.910 0 40 HJAB CC1=NN(C(=O)COc2ccc(C3CCCCC3)cc2)[C@@](O)(c2ccc(F)cc2)C1 408562772 BMWGWHDQZJUICM-DEOSSOPVSA-N 410.489 4.706 0 40 HJAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc(C)c1Br 408641947 LMQURUQTOPJOQR-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)c1 408908197 VDAOBFCQWWWOOY-XNTDXEJSSA-N 406.507 4.756 0 40 HJAB CCN1C(=O)S[C@H](Cc2cc(Br)ccc2OCc2ccccc2)C1=O 409143710 IFNIAIDEPHCMCL-QGZVFWFLSA-N 420.328 4.655 0 40 HJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3c(C)[nH]c4ccccc34)C2=O)c1C 409352208 ZGGCQSKXAXPSMP-RGVLZGJSSA-N 419.506 4.768 0 40 HJAB Cc1ccc(CSCCNC(=O)c2cc3cc(Br)ccc3[nH]2)cc1 1539041936 OOFOUOYTDVHANI-UHFFFAOYSA-N 403.345 4.902 0 40 HJAB COC(=O)c1c(NC(=O)c2cccnc2Cl)sc(C)c1-c1ccc(OC)cc1 676046 CXHSSEBKKISXDR-UHFFFAOYSA-N 416.886 4.819 0 40 HJAB COc1ccc(NC(=O)/C(=C/c2ccc(Cl)cc2)NC(=O)c2ccccc2)cc1 823339 BLYWTXSXHQMIMV-QNGOZBTKSA-N 406.869 4.758 0 40 HJAB COc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 887735 HXPWZMJEPOONIE-UHFFFAOYSA-N 407.857 4.909 0 40 HJAB Cc1ccc(-n2c(COc3cccc4ccccc34)nnc2S[C@H](C)C(=O)O)cc1 924671 KCIBNGRAWKKBRV-MRXNPFEDSA-N 419.506 4.873 0 40 HJAB COc1cccc(C(=O)NCc2c(C)c(C)n(Cc3ccccc3)c2-n2cccc2)c1 1398795 GPJYRDCTXVJMRV-UHFFFAOYSA-N 413.521 4.883 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccc3c(c2)OCO3)on1 2465587 FVMTTYQYAMJDIV-UHFFFAOYSA-N 410.735 4.995 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)Cc1cccc2ccccc12 3238778 UIUVZNGUNAKBDO-UHFFFAOYSA-N 405.494 4.870 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC[C@@H](O)CN3CCCCC3)cc12 3253289 DOTSQTBJVVGOCJ-IBGZPJMESA-N 423.509 4.502 0 40 HJAB CC(C)c1ccccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 3363326 OIUITBCWHOSLOO-UHFFFAOYSA-N 415.342 4.522 0 40 HJAB Cn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)OC1CCCCC1 4130199 KOFRIUSXPAUCBG-UHFFFAOYSA-N 411.527 4.515 0 40 HJAB C[C@@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21 4555233 WVJYHISCQIDKMU-GKVSMKOHSA-N 419.908 4.636 0 40 HJAB O=C(CSc1nnc(CNc2cccc(Cl)c2)o1)Nc1cccc(Cl)c1 4952385 QRBUWHZSWSPNPV-UHFFFAOYSA-N 409.298 4.719 0 40 HJAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCc1ccc(Cl)cc1 7605081 ANZWUIYGTNODPE-UHFFFAOYSA-N 403.935 4.852 0 40 HJAB CSc1ncccc1C(=O)O[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 7657185 SSXWUEIYNWLELR-HXUWFJFHSA-N 406.507 4.957 0 40 HJAB COC(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1 7777278 GUTLLGALZWTURY-INIZCTEOSA-N 409.555 4.945 0 40 HJAB Cn1ccnc1[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 8118062 HZZZUOOPVXPHKS-GOSISDBHSA-N 408.716 4.829 0 40 HJAB Cc1nc(COc2ccc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)cc2)cs1 8157028 VAQXSLXGQBXACG-INIZCTEOSA-N 418.522 4.707 0 40 HJAB OC[C@@H]1CCCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)C1 8177895 OBHCFRMGLAPSQS-MRXNPFEDSA-N 402.523 4.629 0 40 HJAB O=C(O)c1cccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c1 8451747 AXYQYYLBCILMJP-UNOMPAQXSA-N 422.437 4.551 0 40 HJAB COc1ccc(Oc2nc(-c3ccccc3)ncc2S(=O)(=O)c2ccccc2)cc1 8625033 HLVDSCMIOCPKIZ-UHFFFAOYSA-N 418.474 4.777 0 40 HJAB aggregator O=C(COc1ccc(F)cc1Cl)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 9223839 ZVMQICJJRMVTGU-HXUWFJFHSA-N 423.875 4.834 0 40 HJAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCCc1cccs1 9578838 FILFYKATIAIYEV-UHFFFAOYSA-N 417.534 4.641 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 10060347 SSDGRVLHMXLRET-BJKOFHAPSA-N 424.504 4.976 0 40 HJAB CCOc1ccc(-c2ccc(OCCNC(=O)c3ccc(C(C)(C)C)cc3)nn2)cc1 10336117 PJFFGTJZIIVRLE-UHFFFAOYSA-N 419.525 4.649 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@H](OC(=O)[C@@]2(C)CC2(Cl)Cl)c2ccccc2)c1 10863556 MFXZSSYDDKMMEH-YLJYHZDGSA-N 420.292 4.696 0 40 HJAB COc1ccc(-c2nc(CC(=O)N[C@@H]3CCSc4ccc(F)cc43)cs2)cc1 10965701 PHQQHBCDFKTIMH-GOSISDBHSA-N 414.527 4.854 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2Br)cc1 11172033 GQVDYPOBOGDQEJ-GFCCVEGCSA-N 412.711 4.757 0 40 HJAB CC(=O)N1c2ccc(NCc3cc(-c4ccc(Cl)cc4)c[nH]c3=O)cc2C[C@@H]1C 12144106 LHDLYKLPNCJWIS-AWEZNQCLSA-N 407.901 4.605 0 40 HJAB CC(C)c1cc(C(=O)Nc2ccc(N(C)C)cc2)nn1-c1nc2ccccc2s1 12285571 KWGJDWNIWQJDPS-UHFFFAOYSA-N 405.527 4.924 0 40 HJAB CCCCN(C)C(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(=S)[nH]c2c1 12527911 HHDKAEJSZQUKCH-UHFFFAOYSA-N 415.946 4.633 0 40 HJAB Cc1ccc(-c2nnc(S)n2CC(=O)N(C)Cc2cccc(Cl)c2Cl)cc1 12901061 NIJKPTDQZDWKIZ-UHFFFAOYSA-N 421.353 4.508 0 40 HJAB COc1cc2oc(=O)c(CC(=O)Nc3nc4ccccc4s3)c(C)c2cc1Cl 13551034 NNRZZODOZQDDPT-UHFFFAOYSA-N 414.870 4.554 0 40 HJAB Cc1cc(C(=O)N2CCSCC2)c2c(-c3ccc(Cl)c(Cl)c3)noc2n1 13642055 GMCOUXFQPTVLLN-UHFFFAOYSA-N 408.310 4.694 0 40 HJAB CC(C)CCN1Cc2cc(C(=O)c3cc(Cl)cc(Cl)c3O)cnc2NC1=O 14128751 LURFGULUXQVBCS-UHFFFAOYSA-N 408.285 4.719 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)c3ccccc3C)cc2)cc1 14425470 CULQGESGQFTLSU-IBGZPJMESA-N 422.550 4.620 0 40 HJAB CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 18087048 FNBXZQRPOLLYGF-OTWHNJEPSA-N 419.308 4.718 0 40 HJAB O=C(Nc1ccc(Cl)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 18172934 ZUTFLUFWFMZNQA-UHFFFAOYSA-N 419.234 4.761 0 40 HJAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 19219233 BNUYXGDPPAFICD-GOTSBHOMSA-N 409.570 4.677 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2cccnc2)C1 19449598 JNQPRHOUNYYZGN-RUZDIDTESA-N 419.594 4.770 0 40 HJAB CCc1cc(C(F)(F)F)c2c([C@H]3CCCN(Cc4cccnc4NC)C3)noc2n1 19522022 QLAOTCXUIXOEOA-ZDUSSCGKSA-N 419.451 4.620 0 40 HJAB COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c1 19565059 KRJQTASYDODNQU-WMZHIEFXSA-N 421.566 4.535 0 40 HJAB COc1cccc([C@@H]2CN(C(=O)C3CC3)[C@H]3CCN(Cc4ccc(Cl)cc4)C[C@H]32)c1 19566144 HXTZQWGZTAAXFE-HJOGWXRNSA-N 424.972 4.575 0 40 HJAB Cc1cc(C(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cs1 19571845 SRYQYYOQRNVCKB-HXUWFJFHSA-N 421.570 4.650 0 40 HJAB O=C(C1CC1)N1CCC[C@@H](c2cc(Oc3cccc(F)c3)nc(-c3cccnc3)n2)C1 19717412 VLXKDHWLPOTTRL-GOSISDBHSA-N 418.472 4.586 0 40 HJAB COc1c2c(cc3c1[C@H](CC(=O)c1ccc(-c4ccc(F)cc4)o1)N(C)CC3)OCO2 20281646 NXTZENRKQHCIIQ-KRWDZBQOSA-N 423.440 4.625 0 40 HJAB biogenic COc1cc(CCC(=O)Nc2ccc3oc(-c4ccccc4Cl)cc(=O)c3c2)on1 20723066 BHRCFDNSCVTYSR-UHFFFAOYSA-N 424.840 4.681 0 40 HJAB biogenic CCOc1cc(CNn2c(C)n[nH]c2=S)cc(Cl)c1OCc1ccccc1F 22112403 UEUBNDAYBKLGHW-UHFFFAOYSA-N 422.913 4.763 0 40 HJAB CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 22460143 LLYIUPRXVAQFCM-GCJKJVERSA-N 413.631 4.543 0 40 HJAB COc1ccc([C@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)NC(C)=O)cc1 22866336 PUUCIQLVGPIQPH-QHCPKHFHSA-N 404.466 4.694 0 40 HJAB C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCC(c1ccccc1)c1ccccc1 25065697 XSLZVJFVWIHFJK-IBGZPJMESA-N 401.510 4.535 0 40 HJAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C 27936313 UILHEPQBGOOTCK-KOLCDFICSA-N 416.241 4.512 0 40 HJAB Cc1c(C)n(C[C@@H](O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccc(F)cc12 28297193 HJGCFBJJXXFZGE-OAHLLOKOSA-N 405.395 4.827 0 40 HJAB Cc1nc2cc(C(=O)Nc3nc(CN4CCCC4)cs3)ccc2n1-c1ccccc1 32978582 UQVQZBQJCASAMN-UHFFFAOYSA-N 417.538 4.639 0 40 HJAB Oc1ccc([C@H]2N=C3SC(c4ccccc4)=NN3C(=S)N2c2ccccc2)cc1 34702571 BIXNUFDJQXRYNP-IBGZPJMESA-N 416.531 4.963 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)c3c(C)nn(C)c3n2)c1 36616687 QIXSCEIDWGMXGN-UHFFFAOYSA-N 424.863 4.997 0 40 HJAB Cc1nc(-n2cccc2)sc1C(=O)Nc1cccc(-c2cn3ccsc3n2)c1 38734985 ANBVZFFCLOAWHT-UHFFFAOYSA-N 405.508 4.871 0 40 HJAB CC(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1 40130322 OCOXIHPDEDSDOV-LBPRGKRZSA-N 400.327 4.667 0 40 HJAB CN(C(=O)NCc1ccc(OC(F)(F)F)cc1)[C@H](c1ccccc1)c1ccccn1 40135587 FRSIJEUGIFKEPB-HXUWFJFHSA-N 415.415 4.911 0 40 HJAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CSc1ccc(C(F)(F)F)cn1 55735881 MPEKHWYVEBLGEP-LBPRGKRZSA-N 405.445 4.820 0 40 HJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCc2sccc2[C@@H]1c1ccccc1 58055095 ZBCXATASWJDWBZ-REWPJTCUSA-N 421.566 4.835 0 40 HJAB NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1c1ncnc2scc(-c3ccc(Cl)cc3)c12 58161181 KHMRTKOBQZNUBE-XOKHGSTOSA-N 412.946 4.635 0 40 HJAB CCn1nc(C)c2nc(SCc3cccc(C)c3)n(Cc3cccs3)c(=O)c21 64817578 DSHOSWYSFAOKES-UHFFFAOYSA-N 410.568 4.632 0 40 HJAB CCOc1ccc(C(F)(F)F)cc1NC(=O)NCCn1c(C)nc2ccccc21 78699014 QOVZAYLBCAZFNF-UHFFFAOYSA-N 406.408 4.584 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)N1CCC(=O)N(Cc2ccccc2)c2ccccc21 78868993 AZGGNALOMUZXFL-UHFFFAOYSA-N 409.489 4.681 0 40 HJAB COc1ccc(NC(=O)c2cnc(SC)n2-c2ccc(F)cc2)c2cccnc12 83937478 KDRABUOXFOOLEF-UHFFFAOYSA-N 408.458 4.542 0 40 HJAB CC1(C)C[C@H](NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C[C@](C)(CNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C1 102196992 BCUCJWQATQBQSA-RYAKVMGWSA-N 414.634 4.676 0 40 HJAB CC(=O)N(c1nc(COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cs1)c1ccc(F)cc1F 108858426 DJHCDSOCUVNIEG-SOUVJXGZSA-N 420.481 4.975 0 40 HJAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc1 135789522 UXXOKEGIDWAXQU-LICLKQGHSA-N 416.296 4.677 0 40 HJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219373280 AMKWCPOZSOMMPJ-GOSISDBHSA-N 413.905 4.823 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)cc(C)c1 222560328 IRWRRKWMGVTTQW-GBXCKJPGSA-N 424.585 4.577 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 223806268 HVXWKBSIYKYTRT-OAQYLSRUSA-N 420.597 4.966 0 40 HJAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C 223892346 MQAPBZOFCWKZBT-GOTSBHOMSA-N 419.598 4.763 0 40 HJAB CCCc1ccc(OCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 224535512 OHNKAUCAKAFCPG-UHFFFAOYSA-N 414.977 4.700 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 225099461 HVHDVTBYRIABAV-DEOSSOPVSA-N 406.570 4.794 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)c1C 225569372 IRPJOJYVSHGTCA-UHFFFAOYSA-N 414.571 4.878 0 40 HJAB CC[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(S(C)(=O)=O)cc1 225724180 UEFSZTRQLAYUPV-MRXNPFEDSA-N 416.490 4.547 0 40 HJAB COc1ccc(C)cc1NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225804448 CRIYMCPSKBMERE-UHFFFAOYSA-N 405.376 4.644 0 40 HJAB Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O 408647721 XHRUMRKNUXXBJV-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(F)cc2)cc1 408699011 QVFUYTZYPMKDPC-UHFFFAOYSA-N 420.419 4.864 0 40 HJAB CC(C)CCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408705145 YUVRJGZEUFOHPR-QFIPXVFZSA-N 416.974 4.890 0 40 HJAB Cc1ccc(C2=N/C(=C/c3ccccc3OC(=O)/C=C/c3ccccc3)C(=O)O2)cc1 408838313 DKZVTTXZKWNFNN-QPEHMNFXSA-N 409.441 4.958 0 40 HJAB Cc1cc(/C=C2/NC(=S)NC2=O)cc(C)c1OCc1ccc(Cl)cc1Cl 408849694 XZMWNIRXNUFQFP-FRKPEAEDSA-N 407.322 4.534 0 40 HJAB Cc1cc(/C=C2/NC(=S)NC2=O)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408853976 UTRWQJJZICHDBG-LZYBPNLTSA-N 407.322 4.534 0 40 HJAB O=C1N/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccc(F)cc1 409011286 FXYOVUSZUWYGBO-LPYMAVHISA-N 420.415 4.637 0 40 HJAB O=C1CCCCN1[C@H](C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2)c1ccccc1 500667970 WBIADXZNABXEJX-OYRHQHFDSA-N 400.522 4.587 0 40 HJAB CCCc1c(NC(=O)N(Cc2ccc(OC)cc2)C2CC2)cnn1-c1cc(C)ccn1 546218527 XFAFTXVMOXPRPH-UHFFFAOYSA-N 419.529 4.733 0 40 HJAB CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cnc(OC2CCCCC2)c(Cl)c1 622343835 POWBAYLPWIFKEW-NRFANRHFSA-N 414.933 4.833 0 40 HJAB O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1cccnc1 634756 JDHSZCBXNXKMQB-XMMPIXPASA-N 412.518 4.709 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)cc1C 849497 SURBKVOZUAZLPT-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1-c1ccccc1 877654 RNZRLLYEXJBTLM-UHFFFAOYSA-N 414.534 4.804 0 40 HJAB O=C1CCCc2oc3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3c21 944079 YDQFWIWZVZRWKX-UHFFFAOYSA-N 420.284 4.515 0 40 HJAB Cc1cn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)nc1N1CCCCC1 1738728 HVQXDPYSNONPFB-UHFFFAOYSA-N 412.493 4.853 0 40 HJAB CC(C)COC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc12 2253390 YSXFHVFRAYMBJM-UHFFFAOYSA-N 412.852 4.761 0 40 HJAB Cc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 2439354 HCDUEGNDMGVINM-LJQANCHMSA-N 402.475 4.925 0 40 HJAB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N3CCc4ccccc4C3)s2)c1C 2622474 BWZDMHLNNOECRK-MRXNPFEDSA-N 424.595 4.964 0 40 HJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccc(OC)cc1 2690563 MVNOCSWQKAFFJH-UHFFFAOYSA-N 413.473 4.688 0 40 HJAB O=S(=O)(c1ccc2ccccc2c1)N1CCN=C1SCc1cccc(Cl)c1 2711824 UVZSLERGIKGHMO-UHFFFAOYSA-N 416.955 4.787 0 40 HJAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccc(F)c(F)c1 3349578 MKYJICUXOQTCJF-UHFFFAOYSA-N 408.360 4.569 0 40 HJAB COc1ccc(C(C)=O)c(OC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 3354031 DHSCKZVRUIVSTH-UHFFFAOYSA-N 412.445 4.970 0 40 HJAB CC(=O)c1cccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)c1 4089323 PGWMSZVSFYVJJW-UHFFFAOYSA-N 419.477 4.589 0 40 HJAB biogenic O=C(CNCc1ccccc1)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 4750019 BAZNHSMOZXGETO-UHFFFAOYSA-N 406.338 4.769 0 40 HJAB CCOc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)c(CC(=O)O)s2)cc1 5023185 JLZANXDMTUWODA-UHFFFAOYSA-N 414.483 4.597 0 40 HJAB COc1cccc(OCC(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c1 5136948 ZPEFPYAVLNNHTJ-UHFFFAOYSA-N 416.930 4.518 0 40 HJAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1ccccn1 5307918 HZKFRDAVGVHVAD-LJQANCHMSA-N 406.800 4.730 0 40 HJAB COc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 5500107 XRDYNFQTAFRPDC-UHFFFAOYSA-N 410.543 4.519 0 40 HJAB CCOc1cccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c1 6554606 XKHYMEOXCLDSMJ-UHFFFAOYSA-N 405.932 4.784 0 40 HJAB COc1ccc(OC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1 6748051 NVOSPZNQVSARGS-UHFFFAOYSA-N 404.850 4.789 0 40 HJAB aggregator O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 7159239 LIDHUYPWRFVDLS-DEJXGMFUSA-N 418.537 4.735 0 40 HJAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccc(OC)cc2)n1CC)c1ccccc1 7180354 AYPLXEFSJFMVIF-FQEVSTJZSA-N 424.570 4.675 0 40 HJAB Cc1nnc(S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)O)o1 7603772 SEUBQOJXJXESCE-YVLHZVERSA-N 402.859 4.828 0 40 HJAB CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1C1CC1 7618196 KADQGFSCYKDGLS-HXUWFJFHSA-N 422.554 4.965 0 40 HJAB O=C(COc1ccc(F)cc1Cl)N1CCC[C@H](c2nc3ccccc3s2)C1 8070168 ZZYIXOIDHDDKAN-ZDUSSCGKSA-N 404.894 4.874 0 40 HJAB Cc1nc(NC(=O)Nc2ccccc2)sc1C(=O)NCc1ccccc1Cl 8770544 QDOFJCABNCNXIN-UHFFFAOYSA-N 400.891 4.679 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)c(C)c1 8810819 PGMCBZUGRRGGHJ-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB COc1ccc2sc(N(Cc3ccncc3)C(=O)CCOc3ccccc3)nc2c1 9317663 LCUFJPLAFISUSS-UHFFFAOYSA-N 419.506 4.702 0 40 HJAB COc1ccc(-c2csc(NC(=O)CN[C@@H](C)c3ccccc3Cl)n2)cc1 9364625 GEAMKANJVLOGFM-ZDUSSCGKSA-N 401.919 4.761 0 40 HJAB Cc1cc(C)nc(SCc2nc3cc(NC(=O)c4ccccc4C)ccc3n2C)n1 9420989 HNFGPKSNVQIUPJ-UHFFFAOYSA-N 417.538 4.833 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4Cl)c(=O)c23)s1 9462706 NQTUMNHVQDFXFF-UHFFFAOYSA-N 415.927 4.787 0 40 HJAB Cc1ccc(C)c(N2CCN(C(=S)Nc3cccc(OC(F)(F)F)c3)CC2)c1 9877110 YHCPMMIXFSZWMO-UHFFFAOYSA-N 409.477 4.721 0 40 HJAB COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)c(OC)c1 12419999 AUEJSMWFSMIQKH-HNNXBMFYSA-N 409.463 4.605 0 40 HJAB COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)c1 12447737 XWKYOYYVWAOZGC-HXUWFJFHSA-N 411.505 4.922 0 40 HJAB CCOC(=O)N/N=C(/C)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 12657596 LJXRMMRZNQCIDI-QLEIUFQSSA-N 400.563 4.968 0 40 HJAB biogenic CCOc1c(Cl)cc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1OC 12772708 KGIOFAJBCHAMJV-UHFFFAOYSA-N 423.966 4.688 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccc(CC)cc3)n2C)cc1 13871306 SUPWIFQTQJSKLF-MRXNPFEDSA-N 424.570 4.811 0 40 HJAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NC1CCCCC1 13955495 VUZIKFNMHGKKEA-RUZDIDTESA-N 415.537 4.861 0 40 HJAB CCOc1ccc2nc(NC(=O)C[C@H]3c4ccccc4C=CN3C(C)=O)sc2c1 15611231 KYPHDKNTMZJRCR-IBGZPJMESA-N 407.495 4.598 0 40 HJAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1c(C)cccc1C 17087621 LDDIVZHYYIUGII-UHFFFAOYSA-N 407.333 4.510 0 40 HJAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 17091229 ZVSZYMJDAQZMEN-UHFFFAOYSA-N 417.701 4.545 0 40 HJAB C[C@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(-n2ccnc2)cc1 18047679 FBYDNQJVBLRZDV-HNNXBMFYSA-N 401.491 4.984 0 40 HJAB O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 19400400 PJHFWGMEHOOMOW-RDPSFJRHSA-N 423.532 4.511 0 40 HJAB Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19871493 PYHQBSIHJSLTHB-QFIPXVFZSA-N 414.549 4.696 0 40 HJAB CCCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2Cl)c2ccccc21 20746067 WFUJZVGTXOUWLZ-QFIPXVFZSA-N 406.873 4.560 0 40 HJAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C)cc1 22514616 TVCRRJSHWKBCOZ-HSZRJFAPSA-N 422.550 4.985 0 40 HJAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 26394425 HDOCLFDGNBKRIC-SFHVURJKSA-N 424.522 4.779 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCC1(N2CCCCC2)CCCCC1 32960864 FCIGGMIROQIZPR-KRWDZBQOSA-N 423.395 4.521 0 40 HJAB CCN1CCN(c2ccc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)C)c(C)c2)CC1 40103849 YKNFMSBCKMJXQC-HSZRJFAPSA-N 412.553 4.795 0 40 HJAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)N1CCN(Cc2ccncc2)CC1 40104319 TVDZLBMJRNKYHM-UHFFFAOYSA-N 422.916 4.877 0 40 HJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)N[C@H](C)c3ccc(C)cc3)n2)cc1 57486879 QFVLJESCLQQEKJ-GOSISDBHSA-N 400.482 4.699 0 40 HJAB O=c1c(NCc2ccc(F)cc2)cc(-c2cccs2)nn1Cc1ccc(F)cc1 57773691 DXPQTOHWWHKCMZ-UHFFFAOYSA-N 409.461 4.910 0 40 HJAB O=c1[nH]c(/C(Cl)=C\c2cc(Br)co2)nc2sc3c(c12)CCCC3 69492853 IMMHUTRAOATZNM-IZZDOVSWSA-N 411.708 4.956 0 40 HJAB O=C(c1ccc(F)cc1F)N1CCC[C@@H]1c1ccc(I)cc1 72303787 RFGJDGSAZYMJSK-MRXNPFEDSA-N 413.205 4.547 0 40 HJAB Cn1ccnc1C(=O)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72350237 HQUVFNGWSBVXDP-MRXNPFEDSA-N 414.431 4.521 0 40 HJAB COc1cccc(-c2nccnc2[C@@H]2CCCN(CCOc3ccc(F)cc3)C2)c1 72359003 PGWDHPHGQLVFAY-LJQANCHMSA-N 407.489 4.550 0 40 HJAB Cc1cc(C)n2c(SCC(=O)Nc3ccccc3Sc3ccccc3)nnc2n1 89598886 IXBVBUDDTLSFDX-UHFFFAOYSA-N 421.551 4.623 0 40 HJAB CCCCOc1ccc(C(=O)NCC(O)(c2cccs2)c2cccs2)cc1 90617152 AEABEOMONQHXSN-UHFFFAOYSA-N 401.553 4.654 0 40 HJAB CC(C)c1n[nH]c(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1Br 95951131 LPKXKOLLSXWSQE-UHFFFAOYSA-N 419.254 4.874 0 40 HJAB Cc1ccc(NC(=O)[C@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)cc1C 96062720 XDBBJNANSXPDTA-XMMPIXPASA-N 402.542 4.819 0 40 HJAB Cc1nnc(SCc2ccc(Cl)cc2)nc1/C=C/NOCc1cccc(F)c1 100104816 KQLXSARFMKMBPS-MDZDMXLPSA-N 416.909 4.957 0 40 HJAB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4C)[C@H]3C2=O)cc1 101201692 IDGCKJXQNAKQSW-SMIHKQSGSA-N 412.489 4.609 0 40 HJAB CC[C@@H](C)Oc1ccc2ccccc2c1/C=c1\sc2nc3ccccc3n2c1=O 145492797 WZVNXWVAJYWBPN-YZLQOSHFSA-N 400.503 4.787 0 40 HJAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 223408752 MOVNULQONDJVMD-RTBURBONSA-N 415.971 4.978 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)cc(C)c1Cl 223585138 JWMZHTZWUKLWEH-SFHVURJKSA-N 401.934 4.589 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1C 224111398 NHVGCGDLXWRPGH-HSZRJFAPSA-N 422.550 4.701 0 40 HJAB COC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc(-c3ccccc3)cc2)c1 224224427 TUDLFLNAMCAWDO-GOSISDBHSA-N 405.494 4.706 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224294451 HRSJNNWLBRRBSK-UHFFFAOYSA-N 422.550 4.943 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 224294820 LXJMQUPDZLKCGV-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1ccc(C)cc1 224471806 HWHRPVLOMXMJRY-UHFFFAOYSA-N 405.494 4.911 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 225210402 KXRGEWLMMOHUHP-ROUUACIJSA-N 416.562 4.558 0 40 HJAB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@H]32)cc1OC 408999040 RESLALLENNWDEN-YGOYIFOWSA-N 401.462 4.873 0 40 HJAB CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 1541108348 PJINUEDWUHNVHW-VQTJNVASSA-N 411.542 4.964 0 40 HJAB COc1cc(OC)c(C(=O)Oc2ccc3c(Br)cccc3c2)cc1OC 683189 HJOKMHYVAMGYQC-UHFFFAOYSA-N 417.255 4.847 0 40 HJAB CCSc1nnc2c(n1)O[C@H](c1sccc1C)N(C(=O)CC)c1ccccc1-2 684715 DAJPHLNARLAKNU-LJQANCHMSA-N 412.540 4.855 0 40 HJAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(Br)cc4)cc3n2)cc1 828071 PHCUJNFJXDYVLG-UHFFFAOYSA-N 407.271 4.744 0 40 HJAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2)cc1 869108 WMYFPWVZZCCGOP-UHFFFAOYSA-N 414.534 4.897 0 40 HJAB C[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 890854 MYDDWAHRZALIQI-GFCCVEGCSA-N 413.440 4.795 0 40 HJAB Cc1ccc([C@H]2C[C@@H](C(F)F)n3ncc(C(=O)NCCc4ccccc4)c3N2)cc1 900786 XZEYKPPRLNWZHW-UXHICEINSA-N 410.468 4.527 0 40 HJAB O=C(CSc1cccc2cccnc12)OCC(=O)c1ccc(Br)cc1 910457 RNDQMMHEPVDQDP-UHFFFAOYSA-N 416.296 4.516 0 40 HJAB COc1ccc(-c2cc(NC(C)=O)n(-c3nc(-c4ccc(C)cc4)cs3)n2)cc1 1405051 XAPMMPFXOULLFL-UHFFFAOYSA-N 404.495 4.938 0 40 HJAB CCCCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 3166468 QNCLCUHYXHPQKI-UHFFFAOYSA-N 400.422 4.635 0 40 HJAB O=C(NCc1ccccc1)C(=Cc1cccc2ccccc12)C(=O)NCc1ccccc1 3275829 IARXACQZTCYOIM-UHFFFAOYSA-N 420.512 4.856 0 40 HJAB CCCNC(=O)OC[C@]12CO[C@@H](c3ccc(N(C)C)cc3)[C@H](C(C)=C[C@@H]1C)[C@H]2C 3999063 VIRYKNHSXXWHME-RUSOLKKISA-N 400.563 4.795 0 40 HJAB CC(C)Sc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(Cl)c1 4062285 QSOZOSCQMSWTCN-UHFFFAOYSA-N 416.959 4.846 0 40 HJAB CCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1OCC 4088018 SRVZGRWAIRXEQI-UHFFFAOYSA-N 415.540 4.880 0 40 HJAB COc1ccc(-c2cc(-c3ccc(C)cc3)nc3sc(C(N)=O)c(N)c23)cc1OC 4335392 KMPSUBAXLRFKFB-UHFFFAOYSA-N 419.506 4.637 0 40 HJAB Cc1ccc(-n2c(SCc3cn4ccccc4n3)nnc2-c2ccncc2)cc1C 4491043 ZYLODSQERVBMHV-UHFFFAOYSA-N 412.522 4.886 0 40 HJAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(C(C)C)cc2)n2ncnc2N1 4723431 PZITTZAQPCLBPM-HXUWFJFHSA-N 407.905 4.983 0 40 HJAB Cc1oc2c(C)c3oc(=O)c(CC(=O)NCc4ccc(F)cc4)c(C)c3cc2c1C 4744033 TYDZVDYJQUNMRP-UHFFFAOYSA-N 407.441 4.771 0 40 HJAB Cc1ccnc2c(N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cccc12 4893720 TZXHAULOUOEUKY-MQSUGXTHSA-N 416.480 4.940 0 40 HJAB COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2ccc(C)cc2C)c1C 4954294 PHWPHHAATVCDBU-UHFFFAOYSA-N 412.467 4.558 0 40 HJAB CCc1cccc(C)c1NC(=O)CN1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 5625535 QCZLXSRMIFHJMU-UHFFFAOYSA-N 410.949 4.905 0 40 HJAB O=C(CN1CCSc2ccccc21)N1CCC[C@H](c2nc3ccccc3s2)C1 7355548 FZVISKVQXHCPGI-INIZCTEOSA-N 409.580 4.615 0 40 HJAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCc1ccccc1Cl 7605123 KWCXQNYOUHRBTB-UHFFFAOYSA-N 403.935 4.852 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)Cc2ccc(C(=O)Nc3ccccc3)cc2)c(C)c1 8203344 FDJWKSWBEAKIGV-UHFFFAOYSA-N 415.537 4.935 0 40 HJAB Cc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1C 8245594 CEQHGSOYVQUVEN-UHFFFAOYSA-N 416.525 4.890 0 40 HJAB Cc1cc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2ccccc12 8405842 CLJUSHHVZFLIBD-FQEVSTJZSA-N 420.534 4.770 0 40 HJAB Nc1c(Br)cc(NC(=O)c2cc3ccccc3o2)cc1Br 8702091 CSDVWTALDROUFE-UHFFFAOYSA-N 410.065 4.792 0 40 HJAB Cc1cccc(CSCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 9063304 QIQJBRJLRPARDU-UHFFFAOYSA-N 417.018 4.910 0 40 HJAB Cc1ccccc1-n1cnnc1SCC(=O)Nc1ccccc1Cc1ccccc1 9221009 YVCJEAWMIUEGDB-UHFFFAOYSA-N 414.534 4.897 0 40 HJAB COc1ccc2c(c1)sc(=N)n2CC(=O)Nc1c(Cl)cc(Cl)cc1Cl 9539623 LXYOXPKTSVUEKJ-UHFFFAOYSA-N 416.717 4.790 0 40 HJAB COc1ccc(Nc2ccc(NC(=O)C[C@@H](NC(C)=O)c3ccccc3)cc2)cc1 10633325 JYUBQAVUDIBQEU-HSZRJFAPSA-N 403.482 4.645 0 40 HJAB CCOc1ccc(NC(=O)Cc2csc(SCC(=O)c3cccs3)n2)cc1 11694981 QRPFMONMOUEIPD-UHFFFAOYSA-N 418.565 4.760 0 40 HJAB O=C(NCCOc1ccc(C(=O)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 12375952 ZAFRUEJPZOODPW-UHFFFAOYSA-N 413.395 4.745 0 40 HJAB Cc1ccnc(N(C(=O)c2cc3c(s2)CCC3)C(=O)c2cc3c(s2)CCC3)c1 12524582 RUBPYHLREHMGDN-UHFFFAOYSA-N 408.548 4.978 0 40 HJAB CCCN(Cc1ccc(OCC)c(OCC)c1)C(=O)c1[nH]c(C)c(C(C)=O)c1C 12789419 BHNPEDJUVKRTHL-UHFFFAOYSA-N 400.519 4.684 0 40 HJAB CCCn1c(SCC(=O)N(C)[C@@H](C)c2ccccc2)nnc1-c1cccc(C)c1 12803145 LHJCSHCIOPUTJR-SFHVURJKSA-N 408.571 4.975 0 40 HJAB O=C(NCc1ccc2c(c1)OCO2)c1sc(-c2ccco2)nc1-c1ccccc1 12822689 JZBWRLGTXNZZBH-UHFFFAOYSA-N 404.447 4.729 0 40 HJAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(O)cc2)n2c(nc3ccccc32)N1 14607232 BNKOOKYNWCCBBV-JOCHJYFZSA-N 414.440 4.809 0 40 HJAB COc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)c(OC)c4)csc32)cc1O 15106982 WRWFVCQZWJKGTR-AWEZNQCLSA-N 411.479 4.621 0 40 HJAB COC(=O)c1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)c(OC)c4)csc32)cc1 15107651 LZYOUCIISOWJEO-MRXNPFEDSA-N 423.490 4.693 0 40 HJAB CC(=O)N(c1nc(/C=C/C(=O)NC[C@@H](C)c2ccccc2)cs1)c1ccccc1F 15744482 ZFLLDZGLYADYPE-CJTWTEFWSA-N 423.513 4.900 0 40 HJAB COc1ccc([C@H](NC(=O)c2sc3ccccc3c2Cl)c2nccn2C)cc1 16472909 FAMWPMZVLJVRIN-SFHVURJKSA-N 411.914 4.816 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1 17091067 WJTFUFVQKKJYAW-UHFFFAOYSA-N 417.490 4.890 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)C[C@H]3C=CCC3)C1)N2 19083987 HAQMRQRPPZVMPP-XWTMOSNGSA-N 420.548 4.766 0 40 HJAB Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2C)cc1 19209685 JFINQMWBTYBIPO-QHCPKHFHSA-N 400.526 4.760 0 40 HJAB Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1C 19213486 GVXCQUCJRYYZLB-VXKWHMMOSA-N 415.961 4.649 0 40 HJAB CC1CCN(C(=O)c2cc([C@H]3CCCN(Cc4ccc(Cl)cc4)C3)no2)CC1 19496739 AGNLYCBCNYXFKH-SFHVURJKSA-N 401.938 4.580 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(Cc3cccs3)CC2)c1 22784169 ZDBJYPONRHTSAD-XMMPIXPASA-N 419.594 4.863 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 25051154 VONAVMBALSAYLR-AWEZNQCLSA-N 408.329 4.508 0 40 HJAB COc1cccc([C@@H]2CN[C@]3(CC(=O)CC(C)(C)C3)c3[nH]c4ccccc4c32)c1OC 25538904 LWORBGQDADVKSB-SIBVEZHUSA-N 418.537 4.895 0 40 HJAB COc1ccc(OC)c(CCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 25904005 BPCXXSAHCRNRTJ-XMMPIXPASA-N 407.535 4.872 0 40 HJAB COc1cc(/C=C/C(=O)N(C)Cc2ccccc2)ccc1OCc1c(C)noc1C 26993906 DQUCYVAZJXTLOX-ACCUITESSA-N 406.482 4.551 0 40 HJAB COc1ccc2c(C)c(CCC(=O)N(C)[C@H]3CCCc4ccccc43)c(=O)oc2c1 29258864 SCAXQRSKAMWCIF-QFIPXVFZSA-N 405.494 4.579 0 40 HJAB CC(C)c1ccc2c(c1)[C@]1(CC(O)=Nc3c1cnn3Cc1ccc(Cl)cc1)C(=O)N2 32104001 ICRDUXFIQBXBKI-QHCPKHFHSA-N 420.900 4.938 0 40 HJAB Cc1nn(COc2cccc(F)c2)c(C)c1NS(=O)(=O)c1ccc(C(C)C)cc1 32501713 METQUNPJUSYMLJ-UHFFFAOYSA-N 417.506 4.600 0 40 HJAB Cc1cccc(Cn2cc(Br)c(NC(=O)c3cccc(Cl)c3)n2)c1 32647636 XYQRIFKPJJRNPF-UHFFFAOYSA-N 404.695 4.908 0 40 HJAB COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4c(C)noc4C)c23)cc1 36619421 RZVVUXPQTMMOIP-UHFFFAOYSA-N 404.426 4.633 0 40 HJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 38772705 DBKOWBMALLTIIM-OAHLLOKOSA-N 400.906 4.809 0 40 HJAB CN(Cc1ccsc1)C(=O)c1ccccc1SCC(=O)NCC1CCCCC1 39981836 TYCVDRCOZFORGU-UHFFFAOYSA-N 416.612 4.809 0 40 HJAB COc1ccc(CCNc2cc(C)nc3c(C)c(-c4cccc(C)c4)nn23)cc1OC 40216785 ZTWMJPKZJORGBE-UHFFFAOYSA-N 416.525 4.993 0 40 HJAB CC(C)Oc1cccc(CNC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 44850149 AERIRKPFNSDOAF-UHFFFAOYSA-N 400.522 4.967 0 40 HJAB CCOc1ccc(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC 44902269 WZYVQBJVSYRBDW-UHFFFAOYSA-N 407.894 4.726 0 40 HJAB CCOc1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc23)cc1 49005454 GKWJCHHOHOLMQI-UHFFFAOYSA-N 404.514 4.953 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2Cl)nc2ccccc2c1=O 51364629 INRCXAKULYMRPF-UHFFFAOYSA-N 419.909 4.576 0 40 HJAB Cc1cc2oc(=O)cc(CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)c2cc1C 57688786 DZCYMGSTIGCNEJ-OAQYLSRUSA-N 405.494 4.908 0 40 HJAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)cc1 58016222 ZNNDXNBQTOPXRD-PBAKHKOTSA-N 424.497 4.649 0 40 HJAB CC(C)(CNC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1ccc2c(c1)OCO2 60448587 ZBZAXGHEICWMLK-UHFFFAOYSA-N 402.903 4.833 0 40 HJAB C[C@H]([C@H]1CC[C@@H](C)CN1)[C@H]1[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 70691661 IRRHFODGOMSPEE-AQHVFOSKSA-N 415.662 4.921 0 40 HJAB biogenic Cc1nc(NC2CC2)sc1C(=O)NCc1cccc(COCc2ccccc2)c1 78995524 SZLZHNJVUKWURO-UHFFFAOYSA-N 407.539 4.673 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cn3cc(C)nc3s2)c2ccccc2)c1 95455617 MDCHEKFHSRPJSV-FQEVSTJZSA-N 419.506 4.858 0 40 HJAB O=c1ccnc2sc(N[C@@H]3CCCCC[C@H]3c3ccccc3C(F)(F)F)nn12 95458755 YNNMUVBPPDIKSY-DZGCQCFKSA-N 408.449 4.698 0 40 HJAB CC(=O)OCC[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118928581 SVJXBKQKUHYDPQ-SWLWOFJYSA-N 418.574 4.565 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 223222860 BWEBYANVPRRDEL-OAQYLSRUSA-N 414.977 4.913 0 40 HJAB O=C(Cc1cccc(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 223375265 XZFOHNKLYABGRB-UHFFFAOYSA-N 404.941 4.816 0 40 HJAB Cc1ccc(SCCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224077943 JAISXSUHXHLWDL-FQEVSTJZSA-N 412.599 4.667 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 224414584 DUTUOKLLQUZVJE-IQJJTXKVSA-N 402.494 4.853 0 40 HJAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c3c(cccc13)CC2 225201560 QTWWZWRTCOQUKK-UHFFFAOYSA-N 418.312 4.510 0 40 HJAB S=C(NCCCN1CCCCCC1)Nc1ccc(Br)c(Cl)c1 225400014 UUQLNXYDBHWIGN-UHFFFAOYSA-N 404.805 4.655 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 225572961 RTAWFQHPZIMBHM-PGRDOPGGSA-N 414.977 4.913 0 40 HJAB COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C(=O)OC)c3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 408625680 YXLGMTMTODVXIP-HMDXBLRFSA-N 405.494 4.865 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3)cc2)c1 408705747 MSGGCNAORDLZCO-GOSISDBHSA-N 424.522 4.510 0 40 HJAB O=C(O)CN1C(=O)S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O 409135833 QTZJKKRPSSEJRK-DHDCSXOGSA-N 405.884 4.612 0 40 HJAB COCCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C1=O 409251283 UNQHZYKWPQRMDD-CPNJWEJPSA-N 417.914 4.992 0 40 HJAB CCn1c(SCc2ccccc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1 409352100 WGDMKBUTLJOLHN-CQSZACIVSA-N 400.935 4.735 0 40 HJAB Cc1cccc(CN(Cc2ccco2)C(=O)Nc2cccc(N3CCOCC3)c2)c1 516154139 CLMDFICDZUIBKO-UHFFFAOYSA-N 405.498 4.659 0 40 HJAB CCc1ccc(C[C@]2(C)Cc3cc(C(=O)N(CCC(C)C)CC(=O)O)ccc3O2)cc1 585267514 OYUTVDOJGSDDQH-AREMUKBSSA-N 423.553 4.758 0 40 HJAB C[C@@H]1CN(c2ccc(NC(=O)NCc3ccc(OC4CCCC4)cc3)cc2)C[C@@H](C)O1 1673879851 UTEZZROJXAVGAH-RTBURBONSA-N 423.557 4.943 0 40 HJAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242826 SXQVQFOCADXBRV-UPPNCUKMSA-N 405.517 4.861 0 40 HJAB COc1ccc(OC)c(NC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)c1 661610 BECYHRNIPDTABW-UHFFFAOYSA-N 423.469 4.954 0 40 HJAB O=S(=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1N1CCCCC1 711443 MGJSGBQMLSQMCJ-UHFFFAOYSA-N 402.903 4.818 0 40 HJAB Cc1sc2nc(C(C)C)n3c(SCC(=O)N4CCCC[C@H]4C)nnc3c2c1C 1336245 JDNCCPDKCTYUFB-GFCCVEGCSA-N 417.604 4.572 0 40 HJAB Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)cc1 2103501 QDZWRSVFLOXFHL-ZCYQVOJMSA-N 421.500 4.955 0 40 HJAB biogenic Cc1ccccc1N1CCN(c2c3c(nc4c(-c5ccccc5)c(C)nn24)CCC3)CC1 2227431 CJHLOTGXVJAHPM-UHFFFAOYSA-N 423.564 4.828 0 40 HJAB CCOC(=O)[C@@H](C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1cc(C)cc(C)c1 2720715 ZGLUWYIPXMCSND-OAHLLOKOSA-N 421.522 4.528 0 40 HJAB CCOC(=O)c1sc2ncn3nc([C@H]4C[C@H]4c4ccc(Cl)cc4)nc3c2c1C 2791519 RXVSFEPPDMBXRM-KBPBESRZSA-N 412.902 4.749 0 40 HJAB O=C(CCNC(=O)c1ccccc1Cl)Nc1nc(-c2cc(F)ccc2F)cs1 3382704 ZVSKRBVMYJLUSD-UHFFFAOYSA-N 421.856 4.500 0 40 HJAB Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc(F)cc3)n3ccccc23)c1C 4585226 POUZSUIDOKCHFV-UHFFFAOYSA-N 401.441 4.761 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 6049359 QGNZJLRHTCKAPD-KBRIMQKVSA-N 402.409 4.746 0 40 HJAB O=C(Cc1c(Cl)cccc1Cl)OCCOc1ccc(Br)cc1 6078635 YHHUSNWVONBVNH-UHFFFAOYSA-N 404.087 4.921 0 40 HJAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc(F)c(Cl)c1 6128834 PJQYVHKYVMSJCJ-UHFFFAOYSA-N 402.882 4.668 0 40 HJAB CC(C)c1ccc(OCC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 6633805 DVJAQNVSQNDLHL-UHFFFAOYSA-N 414.461 4.628 0 40 HJAB Nc1c(Cl)cc2oc(-c3cccc(I)c3)nc2c1Cl 6926115 QVJNIFJVSVYBJQ-UHFFFAOYSA-N 405.022 4.988 0 40 HJAB O=C(O)/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCC1)Sc1nc2ccccc2o1 7365549 LPXGBOIZXJKCQO-LDADJPATSA-N 411.439 4.554 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)CSc3nnc(C)n3C3CC3)n2)cc1C 7617705 REDAPOYQKPJGFD-UHFFFAOYSA-N 413.572 4.701 0 40 HJAB CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 8266001 QACNVVLIPRZLPN-BQYQJAHWSA-N 414.914 4.783 0 40 HJAB Cc1ccc(C(C)C)c(OCc2nn3c(COc4ccc(F)cc4)nnc3s2)c1 8393460 XUWOAPHJNVRWOD-UHFFFAOYSA-N 412.490 4.915 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc1C 8810658 GQOLEFYPUUJOAK-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3nc4ccccc4s3)o1)CC2 9867444 PSRYUWGLHXJJSK-UHFFFAOYSA-N 420.490 4.772 0 40 HJAB O=C(COc1ccc(Cl)cc1Br)N1CCc2[nH]c3ccccc3c2C1 9901072 SFQJUKJHVKLEJB-UHFFFAOYSA-N 419.706 4.548 0 40 HJAB Cc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1NS(C)(=O)=O 10367014 HPCBZHPYCRSBNG-UHFFFAOYSA-N 407.706 4.579 0 40 HJAB CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)CC1=O 10462124 NHQODFWTRKYTQC-FQEVSTJZSA-N 421.541 4.649 0 40 HJAB Cc1ccc(C)c(OCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c1 11667211 UJGLOSGRSJURPC-UHFFFAOYSA-N 403.482 4.645 0 40 HJAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)C3c4ccccc4Oc4ccccc43)cc12 11726475 AUNVSXWIBMAZNK-UHFFFAOYSA-N 424.500 4.741 0 40 HJAB CCOC(=O)/C=C/c1ccc(NC(=O)c2cccnc2SCC(F)(F)F)cc1 12893851 GPCOURHBNVHDDN-JXMROGBWSA-N 410.417 4.565 0 40 HJAB COc1ccccc1CN(C)C(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 12914173 KTTLZOARBBYBRR-UHFFFAOYSA-N 413.477 4.993 0 40 HJAB CC(C)n1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nc2ccccc2c1=O 12983491 JFFRYWOMVWJQAP-OAQYLSRUSA-N 421.566 4.823 0 40 HJAB O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 13518368 UTCKMUYOZIDIJV-LJQANCHMSA-N 409.445 4.742 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1 14609437 IZMKIVFJIIAIIS-UHFFFAOYSA-N 404.857 4.849 0 40 HJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C)c(C)c4)cc3n2)cc1 17089930 DRBPFAMKMFXYSD-UHFFFAOYSA-N 414.509 4.926 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)C3CCCCC3)C1)N2 19083965 KKAGHPSJJKFTMX-FGTMMUONSA-N 422.564 4.990 0 40 HJAB COc1ccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1OC 19565016 OPDAOXJOMWNRCU-UHFFFAOYSA-N 417.456 4.866 0 40 HJAB CNC(=O)C1(Cc2ccc(-c3cccc(C)c3)cc2)CCN(C(=O)C(C)(C)C)CC1 19700499 KQQQTDMUACONDV-UHFFFAOYSA-N 406.570 4.605 0 40 HJAB CCN(C(=O)c1cccc(F)c1)[C@H]1CCO[C@@H](c2cccc(-c3cncnc3)c2)C1 19711949 GCCDZPWZZOWEAD-XZOQPEGZSA-N 405.473 4.665 0 40 HJAB COc1cc(OC)cc(-c2n[nH]c(SCc3cccc(Br)c3)n2)c1 19928988 ZEDBWNLZGPSSSS-UHFFFAOYSA-N 406.305 4.544 0 40 HJAB C[C@H](C(=O)Nc1ccc(Cl)cc1)n1ccc(C(=O)Nc2ccc(Cl)cc2)n1 20616999 HJXZYXZFRWCLKV-GFCCVEGCSA-N 403.269 4.642 0 40 HJAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)N2CCC(CCc3ccc(C)cc3)CC2)cc1 24925923 GMZDVNYKJBYFNH-LJQANCHMSA-N 407.558 4.625 0 40 HJAB CN(Cc1ccc(C(F)(F)F)cc1)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 25461838 QXUWLMFSODWAKG-UHFFFAOYSA-N 407.461 4.514 0 40 HJAB CCc1nc(C)c2c(C)c(C(=O)Nc3ccccc3C(=O)N[C@H](C)CC)sc2n1 27389871 PRSAIIRBIIDSCH-GFCCVEGCSA-N 410.543 4.651 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1 32578923 QOHZGHVQYXPUTN-MRXNPFEDSA-N 409.486 4.515 0 40 HJAB COc1ccc([C@@H](C)NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1F 32937159 LUFREZJKUZILCL-CYBMUJFWSA-N 415.896 4.710 0 40 HJAB Fc1ccc(COc2c(Cl)cc(C(=S)N3CCOCC3)cc2Cl)cc1 33629381 ULUBJGMGEBZTMG-UHFFFAOYSA-N 400.302 4.719 0 40 HJAB O=C(O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(Cl)cc1 33821806 FMFPITJUNAVUGJ-QHAWAJNXSA-N 422.868 4.541 0 40 HJAB COc1cc2cc3c(N)c(C(=O)N4c5ccccc5C[C@@H]4C)sc3nc2cc1OC 35288900 CHBQDSVVIVFQCB-LBPRGKRZSA-N 419.506 4.640 0 40 HJAB Cc1ncc(NC(=O)c2ccc(F)c(F)c2)n1-c1nc(-c2cccs2)cs1 35682762 VLUGEYIFXMZJBA-UHFFFAOYSA-N 402.451 4.896 0 40 HJAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Nc4ccccc4)nc3)C2)cc1 60333366 RLKGTQNEXHRUNE-FQEVSTJZSA-N 414.509 4.625 0 40 HJAB O=C1C[C@H](c2cccc(Cl)c2)c2c(c(C(=O)O)cn2-c2cccc(Cl)c2)N1 66087475 XCRDBASUBCLZPJ-OAHLLOKOSA-N 401.249 4.956 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]3(C)c2cccnc2)cc1OC 72332580 YWWGNHGZPLSQLC-GBXCKJPGSA-N 401.466 4.515 0 40 HJAB Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc2c(c1)CCN2C(=O)c1ccoc1 84062058 HVYRZZIFLLDRNG-UHFFFAOYSA-N 409.511 4.797 0 40 HJAB O=C(/C=C/c1ccc(I)o1)N(C1CC1)[C@@H]1CCc2ccccc21 95377484 SOWJYNUMIDBANH-XLNAKTSKSA-N 419.262 4.576 0 40 HJAB Cc1ccccc1[C@H](O)CNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 95465228 MRPHHDIJVGXWPB-WAOWUJCRSA-N 411.933 4.648 0 40 HJAB Cc1ccc(CNC(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)o1 96147712 GCUQFZWRRRIWOH-UHFFFAOYSA-N 412.493 4.854 0 40 HJAB C[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 97159999 IXGVCEDPHZCVNV-HNNXBMFYSA-N 409.873 4.685 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)c1 136688204 WNDQLVKBMNMXBJ-QMIHWGKISA-N 408.885 4.602 0 40 HJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 219390283 XSVWFQHUNTVZEY-KRWDZBQOSA-N 417.918 4.586 0 40 HJAB CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220734401 RVJMFOSBPLFKSA-IBGZPJMESA-N 422.978 4.703 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 222493461 FOPBZYKAJQGMPW-XMMPIXPASA-N 424.585 4.829 0 40 HJAB CCc1ccccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 222540266 MYXKUZDVTJNPEW-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 222824943 RDKTXFNJGDJSEE-MRXNPFEDSA-N 418.990 4.764 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 223062485 SYRWOPVHYGTUQN-FQEVSTJZSA-N 418.990 4.684 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 223208691 VEAKICUHAWIOPF-QHCPKHFHSA-N 424.585 4.713 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 223297749 CLSLONAPOMWCGN-NRFANRHFSA-N 414.977 4.913 0 40 HJAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223471311 VNTUXYXFUFJSJQ-XMMPIXPASA-N 408.517 4.922 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 223640071 VVRBFZZNIZFSCL-XMMPIXPASA-N 424.585 4.878 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 223806257 HVXWKBSIYKYTRT-NRFANRHFSA-N 420.597 4.966 0 40 HJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223833097 ZZQULAIFTVGWGB-GOSISDBHSA-N 412.961 4.749 0 40 HJAB O=C(CSCc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 224806764 QHYGLYXVELTXOR-UHFFFAOYSA-N 402.991 4.876 0 40 HJAB COc1ccc(OCCCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 225089878 YPALQVHVJGTSBQ-UHFFFAOYSA-N 403.891 4.665 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)ccc1O[C@@H](C)CC 225832037 DTGPZUQWSLAFEL-HKARXFIJSA-N 405.535 4.965 0 40 HJAB CC(C)(C)C(=O)N1CCC[C@H]1c1nc(COc2ccccc2Cl)c(C(=O)O)s1 257272107 NBCIEQRAKDWCOD-AWEZNQCLSA-N 422.934 4.783 0 40 HJAB CC(C)(C)C(=O)N[C@@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)[C@@H]2CC=CCC2)CC1 257343527 ZTIVXWUJYHWWEH-NCXUSEDFSA-N 417.619 4.625 0 40 HJAB COc1ccc(Cl)cc1C(=O)N(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1 408714174 KJPHVSLMKSJAKW-UHFFFAOYSA-N 413.905 4.968 0 40 HJAB Cc1cc(C)n([C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2ccco2)n1 575614580 XOJCMFDTMQLBQG-FQEVSTJZSA-N 411.933 4.964 0 40 HJAB COc1cc(NC(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)cc(OC)c1OC 659934466 LJOAMEUHKWAWPO-KRWDZBQOSA-N 421.493 4.709 0 40 HJAB C=CC(=O)Nc1cccc(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)c1 1152753054 PFURCAPCHCJVLU-UHFFFAOYSA-N 409.536 4.503 0 40 HJAB CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)[C@H]1Oc1ccccc1 1219574383 UYIKMFBKKKQWIE-RCCFBDPRSA-N 412.383 4.591 0 40 HJAB COc1cccc2cc(CN3CC[C@@H](c4c(C(N)=O)sc5ccccc45)C3)oc12 1848351858 BTDWEAHXNKMBBK-OAHLLOKOSA-N 406.507 4.745 0 40 HJAB CC1(C)C[C@@]2(CCCN2C(=O)c2ccc(C(F)(F)F)cn2)CN1c1ccc(F)cc1 2037988451 JSKBLKAAKXXNRS-NRFANRHFSA-N 421.438 4.903 0 40 HJAB CSc1nnc2c(n1)O[C@@H](c1ccco1)N(C(=O)c1ccccc1)c1ccccc1-2 684717 PPBGBOUIAGHPTA-NRFANRHFSA-N 416.462 4.592 0 40 HJAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)Cc2ccc(OC)cc2)c1 1017200 LMNWDLFFQCNDQS-UHFFFAOYSA-N 404.466 4.527 0 40 HJAB COc1ccccc1CC(=O)N1CCC[C@@H](c2nc(-c3ccc(C(C)C)cc3)no2)C1 1360050 QKHTVHUPBOBINO-OAQYLSRUSA-N 419.525 4.817 0 40 HJAB O=C(Cc1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl)c1ccncc1 1622762 SXYLIYVWQMOACA-UHFFFAOYSA-N 410.260 4.513 0 40 HJAB Cc1ccc(-c2nn(CCC(=O)Nc3ccc(F)cc3)c(=O)c3ccccc23)cc1 2261727 SQDIZIKCKSYMEI-UHFFFAOYSA-N 401.441 4.540 0 40 HJAB Nn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1C1CCCCC1 2394466 NBDSHOCEWJIHPC-UHFFFAOYSA-N 423.542 4.563 0 40 HJAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl 2636429 JGULVUKFZSHRLQ-UHFFFAOYSA-N 414.188 4.511 0 40 HJAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2nc(-c3ccccc3)c(C)s2)C(C)C)cc1 2653109 ZNCCMUBEMDDYJK-IBGZPJMESA-N 407.539 4.820 0 40 HJAB CS(=O)(=O)c1ccc2sc(NC(=O)c3sc4ccccc4c3Cl)nc2c1 2659824 CIYRFJIUGBPGLM-UHFFFAOYSA-N 422.940 4.820 0 40 HJAB O=C1C2=CN=C(c3ccc(Cl)cc3)S[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 3047128 XHXFTFPHBIGSOC-HNNXBMFYSA-N 422.815 4.678 0 40 HJAB O=C(OCc1csc(-c2ccccc2)n1)c1cccc(I)c1 3278691 UEFRNBARRCRQHV-UHFFFAOYSA-N 421.259 4.772 0 40 HJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NC[C@@H]1CCCO1 3349154 GPKCJNWUCGMMFS-BGVYSJOJSA-N 407.901 4.501 0 40 HJAB COc1cc(OC)c(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1OC 3369928 ICKKGHMYGXITEO-UHFFFAOYSA-N 412.482 4.800 0 40 HJAB CC(=O)c1ccc(C(=O)N(CCCN(C)C)c2nc3c(C)c(C)ccc3s2)cc1 4359799 MNHGZIQVZMKLST-UHFFFAOYSA-N 409.555 4.714 0 40 HJAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)N[C@@H](c1ccccc1)C1CCCC1 4537082 QKTDUQAIACSNBL-DEOSSOPVSA-N 418.537 4.891 0 40 HJAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2cccc(C)c2)cc1 5752576 IWMRVEROPRRGMK-DEOSSOPVSA-N 400.478 4.760 0 40 HJAB Cc1noc(C)c1CSc1nc2sc3c(c2c(=O)n1CC(C)C)CCCC3 6078771 PDLKOURSRZHZII-UHFFFAOYSA-N 403.573 4.890 0 40 HJAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(Cl)cn3)c3ccccc3C2=O)c(C)c1 6199205 BKYOXXRLXVKUPB-UYRXBGFRSA-N 403.869 4.992 0 40 HJAB C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)[C@@H]1C 6586020 PDMKLCHUTQOBRW-MDZRGWNJSA-N 414.619 4.813 0 40 HJAB CN(Cc1ccccc1)C(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 6759415 AMCVOTITKUZUKX-RBUKOAKNSA-N 414.431 4.816 0 40 HJAB CC(=O)Nc1ccc(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1 7028233 HSYQEKLXWGEYOH-UHFFFAOYSA-N 411.552 4.883 0 40 HJAB Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)n2)cc1 7831927 WHTXYUBZBVLBRA-MRXNPFEDSA-N 406.555 4.628 0 40 HJAB CCc1cccc2c(C(=O)CSc3nnc(-c4cccnc4)n3C3CC3)c[nH]c12 8075220 CCRROALGVLPVJE-UHFFFAOYSA-N 403.511 4.694 0 40 HJAB COc1cccc(-c2nnc(S[C@@H](C)C(=O)c3ccccc3)n2Cc2ccco2)c1 8265451 HNDRENWRSHHJCK-INIZCTEOSA-N 419.506 4.959 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(NC2CC2)s1)c1ccc(-c2ccccc2)cc1 9216987 CIQMMCZZYKOHKD-CQSZACIVSA-N 410.568 4.749 0 40 HJAB Cc1cc(C)c(NC(=O)[C@@H](C)SC2=NN/C(=C3\C=Nc4ccccc43)O2)c(C)c1 9375875 JQPVVKWWHVGYGR-OVFHLDOESA-N 406.511 4.648 0 40 HJAB Cc1c(C)n(-c2ccc(Br)cc2)c2ncn3nc(-c4cccnc4)nc3c12 9419570 IQWYUPIJMOOFJA-UHFFFAOYSA-N 419.286 4.510 0 40 HJAB O=C(NCC(=O)N1CC=C(c2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1 9548511 UNGHHBALTSPIDP-UHFFFAOYSA-N 412.489 4.525 0 40 HJAB O=C(Cc1c(F)cccc1Cl)Nc1nnc(CCCOc2ccccc2)s1 9614716 TUZKOAHNZHBTIJ-UHFFFAOYSA-N 405.882 4.523 0 40 HJAB O=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 10010908 BLSOGGUQZOCFSP-UHFFFAOYSA-N 414.914 4.712 0 40 HJAB COc1ccccc1[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(C)cc2)c2ncnn21 10060384 TUOQOYOPYCEZCS-DHIUTWEWSA-N 424.504 4.976 0 40 HJAB COc1cc(NC(=O)CCc2ccc(-c3ccccc3F)o2)ccc1N1CCCC1=O 11447159 NKXYHEVNKLXSKZ-UHFFFAOYSA-N 422.456 4.792 0 40 HJAB CCCOc1cccc(C(=O)Nc2nonc2-c2ccc(Br)cc2)c1 11917317 POVFIGBIKXRCIO-UHFFFAOYSA-N 402.248 4.540 0 40 HJAB COc1ccc(NC(=O)Cn2c(SCCC(C)C)nc3ccccc32)c(OC)c1 12520349 XDLLKRXDEGJUOG-UHFFFAOYSA-N 413.543 4.830 0 40 HJAB Cc1nc(-c2ccco2)nc2sc(C(=O)N3CCC[C@@H]3c3cccnc3)c(C)c12 12540560 MBTKYKUJNXITMU-MRXNPFEDSA-N 404.495 4.940 0 40 HJAB COc1ccccc1CNC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 12601067 ZBGZEIMVYBCCES-UHFFFAOYSA-N 405.281 4.554 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cc(Br)ccc2OC)cc1 12889832 LBAWICMDSBCCRZ-LKQLOZHYSA-N 416.315 4.843 0 40 HJAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631113 DGYOHOMRWDPLKN-IBGZPJMESA-N 402.494 4.972 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2C)c1 13646637 VEFQITROGJEYII-SFHVURJKSA-N 420.534 4.696 0 40 HJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 14024270 QVMVSVOPQPOZNA-FDDCHVKYSA-N 402.494 4.974 0 40 HJAB Cc1cc(C)c(C)c(S(=O)(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)c1C 14187224 ZNIFMDGJANHPEA-UHFFFAOYSA-N 413.543 4.570 0 40 HJAB CCC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)Sc2c1nc(C)n2C(=O)CC 16777116 PDGADFIXQJLORQ-UHFFFAOYSA-N 411.314 4.759 0 40 HJAB CCc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)c1 16780403 XOFPPVAIOYLNSD-UHFFFAOYSA-N 421.522 4.682 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1cccs1 17883482 PLQOUUQBLPGDMN-CYBMUJFWSA-N 423.567 4.792 0 40 HJAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCc3sccc3[C@@H]1c1cccs1)CO2 19562414 DLWDWVGFWSGDAG-QVKFZJNVSA-N 411.548 4.544 0 40 HJAB COc1cc(C)c(CN2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1C 19567295 WWQFYTGAMRRHEE-GBXCKJPGSA-N 423.601 4.823 0 40 HJAB O=C(CCCNC(=O)c1ccsc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 22393914 QZJREEAXCOBAKE-UHFFFAOYSA-N 424.366 4.934 0 40 HJAB CCOc1ccccc1-c1noc(CN2CCC[C@H](c3nc4ccccc4o3)C2)n1 24668125 UEOCCAFDHUBTKC-INIZCTEOSA-N 404.470 4.656 0 40 HJAB Clc1cccc(-c2nc(CSc3nnnn3CCc3cccs3)co2)c1 26118519 WNCGHWNZFPUUEK-UHFFFAOYSA-N 403.920 4.578 0 40 HJAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl 31696154 JVALGYHIWWVFGQ-CYBMUJFWSA-N 410.297 4.581 0 40 HJAB Cc1ccc(OCCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1 31903675 ZMBCHSQANSLYIW-LJQANCHMSA-N 405.542 4.928 0 40 HJAB O=C(NCCSCc1c(F)cccc1Cl)C1CCN(Cc2ccccc2)CC1 39750194 RKMDBDAMAVFFDZ-UHFFFAOYSA-N 420.981 4.741 0 40 HJAB Cc1nc(CSCCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cs1 40069649 LGGIVOLMWKFFQV-UHFFFAOYSA-N 414.600 4.536 0 40 HJAB Cc1cccc(Cn2ccc3ccn(CC(=O)Nc4ccc(F)cc4Cl)c(=O)c32)c1 62007346 WMTKRQVKESWUJT-UHFFFAOYSA-N 423.875 4.591 0 40 HJAB COc1ccc(OC)c(-n2c(SCc3cccc(F)c3)nc3ccccc3c2=O)c1 67258957 KQLRDRCUPLXECJ-UHFFFAOYSA-N 422.481 4.834 0 40 HJAB CC(C)n1ccc2c(NC(=O)Cn3nc(-c4ccc(Cl)cc4)ccc3=O)cccc21 71285326 BJJWEHOXIUSXMO-UHFFFAOYSA-N 420.900 4.738 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 72349603 UGZNDIPZAPFUIU-UHFFFAOYSA-N 406.476 4.899 0 40 HJAB Cc1cccc(C)c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 83328089 SONZSWVVQNNLAB-DEOSSOPVSA-N 415.489 4.838 0 40 HJAB Cc1cc(C)n(C[C@@H](C)CN[C@@H](c2ccc(Br)cc2)c2ccco2)n1 95996287 CRWNGSXHDOHYIP-XOBRGWDASA-N 402.336 4.871 0 40 HJAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccc(OC)cc2)C12CCCC2 96344410 ANRUCXXKZXUDNC-HSZRJFAPSA-N 420.553 4.664 0 40 HJAB CCOc1ccc(C2=NCCNC3=C2[C@H](c2ccccc2)N(c2ccccc2)C3=O)cc1 100306083 SYSCJMXBDNOKNR-SANMLTNESA-N 423.516 4.520 0 40 HJAB N=c1c2c(ncn1CCCn1ccnc1)Oc1c(ccc3ccccc13)[C@@H]2c1ccco1 101350717 MRNNSJKHGBTYGZ-OAQYLSRUSA-N 423.476 4.681 0 40 HJAB COC(=O)c1sccc1NC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 103280725 NWLPBZUVDBHUGO-SKLAPFLYSA-N 412.349 4.597 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 222863291 BORBQVWXICQOEF-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223649010 ZSDGFUVHESESLW-LAUBAEHRSA-N 400.950 4.605 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)c1 223807463 NRFJGTRJUXQWRE-OAQYLSRUSA-N 406.570 4.630 0 40 HJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)n1-c1cccnc1 224159654 GCFXHLLZIVHDMR-GOTSBHOMSA-N 411.534 4.753 0 40 HJAB COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C 224200684 BCFSKSIJYJMTQD-DHIUTWEWSA-N 420.582 4.632 0 40 HJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1CN1CCCC1 224788101 UWOUWKSFDXFRNL-RUZDIDTESA-N 402.538 4.909 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 224915015 VKXZKLKMABZNOH-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 224974846 VYKNTRPYPWGXIO-IAGOWNOFSA-N 418.990 4.764 0 40 HJAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224986470 AZAYRTVVARIWNO-QHCPKHFHSA-N 410.533 4.625 0 40 HJAB S=C(Nc1cccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1)N[C@H]1C[C@H]2CC[C@H]1C2 254813355 IDCCYCFBXABYHM-BVBVUKCESA-N 414.644 4.637 0 40 HJAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2)c1 408549991 AJLARJUMRJIRHX-UHFFFAOYSA-N 424.522 4.619 0 40 HJAB O=C(COc1ccc(CNc2cccc(C(=O)O)c2)cc1)Nc1ccc(Cl)cc1 408608353 LHAXDMONUWRVPB-UHFFFAOYSA-N 410.857 4.668 0 40 HJAB COc1ccc(N(Cc2ccccc2Cl)S(=O)(=O)c2ccc(OC)cc2)cc1 408627884 QXNIZXUCMKCGAT-UHFFFAOYSA-N 417.914 4.753 0 40 HJAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccccc3Cl)C(=O)O)o2)c1 408631557 FOGCVAANIZLSKE-SXGWCWSVSA-N 418.858 4.625 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2C)c(C)c1 409407811 IAPLVSZPQDYRDT-UHFFFAOYSA-N 412.486 4.804 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)cc1 851200 FDLVLPJLHHXXDD-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB COC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@H]1c1ccc(Cl)cc1Cl 949712 ALSLPGNSRXWXML-KRWDZBQOSA-N 415.280 4.714 0 40 HJAB Clc1ccc(-c2nc(-c3cccnc3)ncc2-c2nnnn2-c2ccccc2)cc1 1041282 ONYLVAXTOOEHMR-UHFFFAOYSA-N 411.856 4.502 0 40 HJAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)n1 2400061 HERGSDZJBFBGHK-FQEVSTJZSA-N 402.837 4.900 0 40 HJAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)Cc2ccc(Br)cc2)cc1 3217736 RMVSKQAKZRFLHU-CQSZACIVSA-N 404.304 4.687 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2Cl)o1 3274829 QWHVYZXUNGHOCP-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB COc1ccccc1Nc1nnc(SCC(=O)Nc2c(C)cccc2C)s1 3494608 MSMZNBNRQRUNQN-UHFFFAOYSA-N 400.529 4.638 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)OCC(=O)c2ccc(Br)cc2)c1 4361142 LQXNMJMQNRAZOB-UHFFFAOYSA-N 405.288 4.686 0 40 HJAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2OC)n2c(nc3ccccc32)N1 4735598 XAQAFDSTXFNJOF-OAQYLSRUSA-N 421.497 4.686 0 40 HJAB CC1=C(C)C[C@@H](C(=O)Nc2ccc(NC(=O)NC3CCCCC3)cc2)[C@H](C(=O)O)C1 4949776 TUDXFVSBNYXLLX-WOJBJXKFSA-N 413.518 4.527 0 40 HJAB CC[C@H](C)COC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 5100296 NNLQGFNTLVLQGC-AWEZNQCLSA-N 402.498 4.976 0 40 HJAB COc1ccc(C(OC[C@@H](O)CN[C@@H](C)c2ccccc2)c2ccc(OC)cc2)cc1 5951006 GIIGIGNNZPCHTH-CVDCTZTESA-N 421.537 4.522 0 40 HJAB CCCN1C(=O)[C@@H](Cc2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc21 6755166 RDUJLBBOACAECX-QFIPXVFZSA-N 423.516 4.528 0 40 HJAB COc1ccc(-c2cc(N[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)ccc2OC)cc1 7363967 IYLUBQCDRPNHJX-HNNXBMFYSA-N 420.465 4.539 0 40 HJAB COc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4OC)ccc3o2)cc1 9660142 QYMNKICLTMMIHC-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB biogenic Cc1cc(NC(=O)CN[C@@H](c2ccccc2)c2cccs2)n(-c2ccccc2)n1 12904837 FTSGKYREYSFCLA-QHCPKHFHSA-N 402.523 4.560 0 40 HJAB CCN1CCN(c2nc(-c3ccccn3)nc3sc(-c4ccccc4)cc23)CC1 12908172 QLJSWPSUXJCVOJ-UHFFFAOYSA-N 401.539 4.562 0 40 HJAB CCOc1ccc([C@@H]2CCCN2Cn2nc(Cc3cccs3)n(C)c2=S)cc1 14185911 VVAWVNGQZMYMQY-IBGZPJMESA-N 414.600 4.797 0 40 HJAB COc1ccc(CC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1F 14637327 YSOLABQOIZATBH-UHFFFAOYSA-N 417.868 4.517 0 40 HJAB Cc1cc2oc(=O)cc(CN3CCN(C/C=C/c4ccccc4)CC3)c2cc1Cl 20412538 KNUVHGRQBBVDFI-VMPITWQZSA-N 408.929 4.586 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)c4cccc(OCC(C)C)c4)cc3n2)cc1 20610063 BRJDQOQCYAIIJG-UHFFFAOYSA-N 416.481 4.716 0 40 HJAB COc1ccc(CN(C)C(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1F 23796835 KCGBTRMLUUUUAI-UHFFFAOYSA-N 415.896 4.622 0 40 HJAB CCc1cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)sc1C 26790529 FJWYVAQDJFVWQE-UHFFFAOYSA-N 404.333 4.879 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)c3ccc(OCC(C)C)cc3)cs2)cc1 27993885 SPIRRJYNOKEYJW-UHFFFAOYSA-N 410.539 4.826 0 40 HJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 32902899 NFZLACPEZBGIMZ-AGHHOFFYSA-N 412.530 4.626 0 40 HJAB CCOc1ccc(CC(=O)Nc2cnc(C)n2-c2nc(-c3ccccc3)cs2)cc1 35682912 ANDWDLWROJMNNW-UHFFFAOYSA-N 418.522 4.884 0 40 HJAB O=C(Nc1ccc(Cl)cn1)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F 36616795 IHDSVJNFAWPJSR-UHFFFAOYSA-N 407.836 4.738 0 40 HJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(SC)cc3)oc12 67299124 FJIYAAICWBHMCT-BZZOAKBMSA-N 420.490 4.919 0 40 HJAB O=C1c2ccccc2CC[C@H]1[C@@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 68713163 WFAJNDAIPUCZRQ-PXDATVDWSA-N 417.892 4.520 0 40 HJAB CCc1ccc(N2CCN(C(=O)c3cccc(OCc4csc(C)n4)c3)CC2)cc1 72303412 YRYPMAGYFQISNC-UHFFFAOYSA-N 421.566 4.555 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 72349600 FDRFARGBUXABEF-UHFFFAOYSA-N 406.476 4.899 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 72349602 ZKOVITBSYCPKJV-FQEVSTJZSA-N 406.476 4.899 0 40 HJAB O=C(CC1CCCC1)N[C@H](c1ccccn1)C1CCN(Cc2cccc(F)c2)CC1 72399249 NBYORGZCXSFJBM-VWLOTQADSA-N 409.549 4.871 0 40 HJAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 77200749 MOOVJMBVHDWMNQ-SDNWHVSQSA-N 424.547 4.672 0 40 HJAB CCOc1ccc(-c2nc(CC(=O)N3CCC[C@@H]3[C@@H]3CCCCC3=O)cs2)cc1 79056492 VGDSXDPEBJTCEJ-VQTJNVASSA-N 412.555 4.502 0 40 HJAB Cc1cccc([C@@H]2CC(c3ccco3)=NN2S(=O)(=O)c2ccc(Cl)cc2)c1 89669377 SOLNBPPFQLZWNW-IBGZPJMESA-N 400.887 4.781 0 40 HJAB C[C@H](c1ccccc1)N(CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccccc1 95945349 BPGMCSXZZIIYAQ-LJQANCHMSA-N 401.510 4.595 0 40 HJAB O=C(c1cccs1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1 96038331 FFOIGAAWASPJJA-UHFFFAOYSA-N 403.511 4.554 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)no1 98211369 QTVFIFCSIVMAOP-UHFFFAOYSA-N 422.872 4.814 0 40 HJAB Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 101158103 CVLPMAZXXKVYIN-FKBYEOEOSA-N 418.880 4.700 0 40 HJAB Cc1ccc(-n2nc3c4cc(C(=O)N[C@H](C)c5ccccc5)ccc4[nH]cc-3c2=O)cc1 101281893 IUHOFVWUTXUWMY-QGZVFWFLSA-N 422.488 4.618 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 222455493 WVJVOTMZNNCIQN-QHCPKHFHSA-N 424.585 4.829 0 40 HJAB Cc1cccc(CN(C(=O)CSCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 222713801 GCTBLXMSPQRGOG-LJQANCHMSA-N 412.599 4.560 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223363336 YCDCAPZULZGMPS-NRFANRHFSA-N 414.977 4.995 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 223746877 GXXRVJVHJVMXES-XMMPIXPASA-N 408.586 4.878 0 40 HJAB O=C(CSCc1c(F)cccc1Cl)NCc1cccc(CN2CCCC2)c1 224592585 KIOLWTSSRNERRC-UHFFFAOYSA-N 406.954 4.625 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)N[C@H](C)CC)cc1 225044774 KPTFBEAHJMZNNC-RTWAWAEBSA-N 408.586 4.822 0 40 HJAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)cc1C 225148072 RTGDICYMJSWZEB-LEWJYISDSA-N 422.579 4.977 0 40 HJAB Cc1ccc2nc(C)cc(NCCNC(=S)Nc3ccc4sncc4c3)c2c1 225214607 PGASKXGMAJZWID-UHFFFAOYSA-N 407.568 4.860 0 40 HJAB COc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 225573916 PDGNBCRMSIXDOA-HNNXBMFYSA-N 404.913 4.577 0 40 HJAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1cccc(Br)c1 225810571 NADOWGVFNWZYSE-UHFFFAOYSA-N 406.667 4.724 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)c1 408673208 QEVSTNOHJKPSRG-NPFVIJTESA-N 418.537 4.989 0 40 HJAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(C)cc2Br)CC1 408709581 UKJAPSHGRNLPCR-UHFFFAOYSA-N 409.368 4.807 0 40 HJAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1Cl 409097718 OJIKQNHMQLBQRN-RGZVIEDOSA-N 411.907 4.505 0 40 HJAB Cc1cc(C)c(-n2nnnc2C2(NCCc3c[nH]c4ccccc34)CCCC2)c(C)c1 575443688 HVJNNSOIFKEVKQ-UHFFFAOYSA-N 414.557 4.670 0 40 HJAB O=C(Nc1cccnc1Cl)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 673938 GTTFBRYMKQDKAA-HUUCEWRRSA-N 421.810 4.844 0 40 HJAB O=C(O)CC1=C(Nc2ccc(F)cc2)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1 1071226 MNXZLYQUEYRVHG-HSZRJFAPSA-N 420.415 4.894 0 40 HJAB CCCCCn1c(N)c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc21 2254086 RCCLEGRGORQJAX-UHFFFAOYSA-N 421.932 4.940 0 40 HJAB CCN(CC)CCCNc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3 2336617 MCWRAGGMRSJPBP-UHFFFAOYSA-N 412.607 4.516 0 40 HJAB O=C(c1cc2c(s1)CCCC2)N(C(=O)c1cc2c(s1)CCCC2)c1ncccn1 3176081 HNDLYTDVVCFNSI-UHFFFAOYSA-N 423.563 4.844 0 40 HJAB COc1cc(/C=C/C(=O)Oc2ccccc2Cc2ccccc2)cc(OC)c1OC 3289193 GHBNNSPVYQVEPI-BUHFOSPRSA-N 404.462 4.922 0 40 HJAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)NCc1ccccc1Cl 3320033 RYAUMRRPOPXNGI-UHFFFAOYSA-N 412.269 4.820 0 40 HJAB CCc1cc2c(SCc3cc(=O)oc4cc(NC(C)=O)ccc34)ncnc2s1 3367560 CGCLJLMSCXQOHY-UHFFFAOYSA-N 411.508 4.611 0 40 HJAB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1ccc(F)c(F)c1 3386954 KTOLUKGPMCQSBM-GXDHUFHOSA-N 405.447 4.810 0 40 HJAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)s1 4555053 MSJGQKFODUFQQN-JOCHJYFZSA-N 411.910 4.717 0 40 HJAB CCOc1ccccc1NC(=O)[C@H](Oc1ccc2ccc(=O)oc2c1)c1ccccc1 4579990 ARTNGRKVLKOEAN-XMMPIXPASA-N 415.445 4.951 0 40 HJAB CC(C)Oc1ccc(C(=O)N2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1 4583442 ODMKLZPKGYEULV-UHFFFAOYSA-N 415.946 4.699 0 40 HJAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccccc2OC)C[C@H]1c1ccc(C)cc1 4816944 OSQHJABCGBRNHV-LEWJYISDSA-N 404.514 4.853 0 40 HJAB Cc1ccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(C(=O)O)cc2)cc1 4928667 WHEACYVMMJXYPE-QHCPKHFHSA-N 409.445 4.833 0 40 HJAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)NCCC1=CCCCC1 5346448 VFEOUSVYHSLZGB-UHFFFAOYSA-N 403.478 4.846 0 40 HJAB biogenic Cc1nnc(S/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)O)[nH]1 6329193 GHNFUQJDXRROIJ-APSNUPSMSA-N 406.870 4.531 0 40 HJAB O=C(CSc1ccc2c(c1)OCCCO2)Nc1nc(-c2ccc(F)cc2)cs1 6436755 YQVSEOPODILMMY-UHFFFAOYSA-N 416.499 4.841 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc(Cl)nc2ccccc12 6589860 XJQVQLNPRAPOSY-UHFFFAOYSA-N 409.854 4.993 0 40 HJAB Cc1ccc(C)c(Sc2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)c1 6623419 MKJDCDKTQVNQTJ-UHFFFAOYSA-N 413.520 4.954 0 40 HJAB O=C(NCc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccccc1 6753136 ANPIWXWCIOYJAF-UHFFFAOYSA-N 405.885 4.699 0 40 HJAB Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4cccc(C)c4C)c3C)ns2)cc1C 6914614 TXCJMBZDSOICKK-UHFFFAOYSA-N 418.526 4.580 0 40 HJAB Cc1cccc2sc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)nc12 6937134 KTLDSEZYIDEPMD-OAHLLOKOSA-N 413.930 4.749 0 40 HJAB FC(F)(F)c1cccc(CN2CCN(c3ncnc4sc5c(c34)CCC5)CC2)c1 8203759 BBLIMOBJCIHGMR-UHFFFAOYSA-N 418.488 4.521 0 40 HJAB O=C(NCc1ccccc1)c1ccccc1NCc1nc(-c2cccc(Cl)c2)no1 8705504 GWOYUYCMJXEABP-UHFFFAOYSA-N 418.884 4.932 0 40 HJAB O=C(NC1CCCCC1)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1 8711040 ILYLKAZWLQZCSP-UHFFFAOYSA-N 411.509 4.604 0 40 HJAB O=C1c2cccc3cccc(c23)C(=O)N1C[C@@H](O)Cn1c2ccccc2c2ccccc21 8958962 OOSDWSLMVKIKNX-SFHVURJKSA-N 420.468 4.605 0 40 HJAB O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9223561 BKBHBOZHDSRYGO-INIZCTEOSA-N 424.850 4.527 0 40 HJAB CN1C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2Oc2ccccc21 9827884 XZKHNBPCOZYJOH-UHFFFAOYSA-N 414.870 4.523 0 40 HJAB Cc1cccc2nc(CSc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)cc(=O)n12 9909204 SABDLZMAXDEJOS-LBPRGKRZSA-N 424.551 4.532 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(CCCN(C)C)C3=O 10233142 XVXKNSHZGAJHEG-OAQYLSRUSA-N 424.928 4.560 0 40 HJAB COCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccn4c3NC(C)(C)C)C2)cc1 12088133 WVOXLZPDUSHBIT-FQEVSTJZSA-N 420.557 4.711 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1Br 12293613 QIQZVWZQMWDRKF-UHFFFAOYSA-N 423.310 4.940 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCCOc1ccc(F)cc1 12392518 WVCPPFYHKFILGX-UHFFFAOYSA-N 401.869 4.562 0 40 HJAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)ccc1OC(C)C 12601733 WRNRDOHNLFMPBW-VSFZPWCASA-N 405.498 4.736 0 40 HJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2ccccc2cc1O 12750570 JYFFERJBLZGYSC-UHFFFAOYSA-N 403.265 4.563 0 40 HJAB C[C@H]1Oc2ccc(NC(=O)/C=C/c3cc(C(F)(F)F)ccc3Cl)cc2NC1=O 12854926 NTONTSMWWZRLQL-CYZOPGGISA-N 410.779 4.730 0 40 HJAB CCCOc1ccc2ccccc2c1CN(C)CC(=O)Nc1cccc(NC(C)=O)c1 12874476 YCKHXKHNDORYKT-UHFFFAOYSA-N 419.525 4.658 0 40 HJAB CC(C)N1COc2ccc3c(=O)c(Oc4ccccc4Br)coc3c2C1 13726764 ZIJNFUJCSLAPKB-UHFFFAOYSA-N 416.271 4.908 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)N(Cc2cccs2)Cc2cccs2)c1C 14016316 JCXSNXPZGCOKIT-UHFFFAOYSA-N 402.541 4.774 0 40 HJAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(C(F)(F)F)c1 14129734 VLOYZNPAPXTQDS-JSGCOSHPSA-N 410.823 4.589 0 40 HJAB O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)c1ccc(-c2ccccc2)cc1 14244426 WQFDMDHCCQQNMA-MHZLTWQESA-N 424.500 4.710 0 40 HJAB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1cccs1 17092262 NYDPXAJDCNEMPR-UHFFFAOYSA-N 420.515 4.957 0 40 HJAB CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)CSc2ccc(Cl)cc2)cc1 18776382 ZKHOUIGTFOCTIE-UHFFFAOYSA-N 419.930 4.843 0 40 HJAB Cc1c(CN2CCC(c3cc(O)nc(-c4ccncc4)n3)CC2)[nH]c2ccc(F)cc12 19565488 RCQCPWSOHXTMFV-UHFFFAOYSA-N 417.488 4.553 0 40 HJAB COc1ccc(-c2ccccc2NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 19660474 FQAPBSGRFVYRSE-UHFFFAOYSA-N 400.478 4.737 0 40 HJAB CCn1cc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cn1 19694630 JEZGAKYJJQGKNG-NRFANRHFSA-N 424.980 4.807 0 40 HJAB Nc1c(C(=O)Nc2ccccc2)sc2nc3c(cc12)CN(Cc1ccccc1)CC3 20289841 OPZZLGCMFRQZFT-UHFFFAOYSA-N 414.534 4.689 0 40 HJAB aggregator O=C(Nc1cccnc1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20715451 KKPRVYHFOODUBN-QHCPKHFHSA-N 411.505 4.773 0 40 HJAB COc1ccccc1C(=O)Nc1ccc2c(c1)nc(Cn1ccc3ccccc31)n2C 31818151 VESYLDBNTPXROB-UHFFFAOYSA-N 410.477 4.837 0 40 HJAB Cc1sc2c(c1C)c1nc(Cc3ccccc3)nn1c(=O)n2CCc1ccccc1 32071782 ZVCFOWMEMWYYAU-UHFFFAOYSA-N 414.534 4.556 0 40 HJAB CCN(CCCNC(=O)c1sc2ncccc2c1-n1cccc1)c1ccccc1 33298013 QNTUISHDSIYETI-UHFFFAOYSA-N 404.539 4.733 0 40 HJAB Cn1ccnc1SCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 33527946 SOZAHZGXGPQMLJ-ZIIHEKLWSA-N 422.510 4.521 0 40 HJAB O=C(Cc1cc2cc(Br)cc(Br)c2oc1=O)c1ccccc1 33744062 NIFYGXDSFGVBDE-UHFFFAOYSA-N 422.072 4.743 0 40 HJAB CCCCc1ccc(NC(=O)c2c(C)oc3ncn(Cc4ccccc4)c(=O)c23)cc1 35672039 KGTBLRDXJQNJKG-UHFFFAOYSA-N 415.493 4.941 0 40 HJAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(OC)c(OC(C)C)c2)c1 36358766 LYDRGBBDHRGUPG-GOSISDBHSA-N 407.470 4.800 0 40 HJAB COc1ccc([C@@H]2CCCN2Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1 36390979 RKZNUBMKUPOYTJ-DEOSSOPVSA-N 411.505 4.867 0 40 HJAB CC(=O)Nc1ccc(C)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1 40134198 ZLOCJKYNLIFYSZ-UHFFFAOYSA-N 419.529 4.891 0 40 HJAB O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2cc(F)ccc2F)s1 40139848 WFRSXLGMRKVMBQ-ZSOIEALJSA-N 409.820 4.622 0 40 HJAB Nc1c(Cl)cc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1Cl 45621867 FKUQZYKCDVSCQE-UHFFFAOYSA-N 403.191 4.583 0 40 HJAB COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)cc1 46078700 UQWLPFDLRNPFDQ-UHFFFAOYSA-N 400.478 4.849 0 40 HJAB Cc1cccc(Cl)c1NC(=O)CSc1nc2ccsc2c(=O)n1CC(C)C 57426286 MBDLLZKKDBVBET-UHFFFAOYSA-N 421.975 4.807 0 40 HJAB CCOc1ccccc1-c1nnc(SCCCc2nc(-c3cccs3)no2)o1 58005045 QWQQRDIEHHJRNM-UHFFFAOYSA-N 414.512 4.972 0 40 HJAB COc1ccc(OC)c([C@@H](C)NC(=O)CNC2(c3ccc(Cl)cc3)CCCC2)c1 58343851 BAICWGILWGWPCQ-MRXNPFEDSA-N 416.949 4.594 0 40 HJAB COC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1 59457363 OSACVWOPGYDNIM-XDHOZWIPSA-N 410.495 4.703 0 40 HJAB CCOc1ccc(-c2nc(CN3c4ccccc4[C@@H](C(N)=O)C[C@@H]3C)cs2)cc1 65492763 JKENDNPRRLVPKG-YWZLYKJASA-N 407.539 4.577 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@@H](c3nccnc3-c3cccc(C)c3)C2)cc1 72358789 QCHGVKZGRWPXSL-JOCHJYFZSA-N 415.537 4.799 0 40 HJAB COc1cccc(-n2cnc3c2[C@H](c2ccc(O)c(Cl)c2)SCC(O)=N3)c1 95473731 LPKKINZJQZZUAU-SFHVURJKSA-N 401.875 4.664 0 40 HJAB CC[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)C1 95958285 FRNPLODHEYPRMF-QGZVFWFLSA-N 412.534 4.554 0 40 HJAB CC[C@H](NC(=O)CCc1cc(F)ccc1F)[C@@H](O)c1ccc(C(F)(F)F)cc1 95972127 RHXKEAVOIKSFSB-HKUYNNGSSA-N 401.375 4.545 0 40 HJAB COC(=O)C[C@H](c1cccs1)c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 96114518 ODYFTNZMXYODHJ-MRXNPFEDSA-N 422.458 4.628 0 40 HJAB biogenic O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccc(Cl)s1 102166210 SLPVGNRPMFQRJD-QQJLWGBUSA-N 417.752 4.861 0 40 HJAB O=C(CSCc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2F)CC1 222717777 DCEBKRLEJDLEIH-UHFFFAOYSA-N 413.345 4.715 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 222807497 KLNXFDVIROKPNU-OAHLLOKOSA-N 421.368 4.868 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 223178195 LNLBLQHKITXAQB-HXUWFJFHSA-N 418.940 4.744 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1 224057249 HWELOFVOJWSIAA-UHFFFAOYSA-N 424.522 4.619 0 40 HJAB CN(c1ccc(C(=O)Nc2ccc(F)cc2)c(Cl)c1)S(=O)(=O)c1ccccc1 224230971 YSQQLJREWZQZQS-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 224652568 IAXYZZZBCHZLTB-DEOSSOPVSA-N 408.586 4.816 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC1CCCCC1 224704221 BHUBRHXBNGMIBQ-NRFANRHFSA-N 406.570 4.712 0 40 HJAB O=C(COc1cccc2c1CCCC2)Nc1ccccc1C(=O)NC1CCCCC1 224767374 HXWMOHCRUWYYHX-UHFFFAOYSA-N 406.526 4.645 0 40 HJAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)N1CCc2ccccc2C1 224889459 HJFXMPHEMLUBDF-UHFFFAOYSA-N 411.299 4.622 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 225159166 WEZJNEGQBDJADP-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB CCN(CC)CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1 225531294 XOAWGGDHYPKDDN-UHFFFAOYSA-N 410.558 4.866 0 40 HJAB Cc1cc(Br)cc(C)c1NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C 226093801 BTZOQAXIJKERLT-ZDUSSCGKSA-N 411.299 4.750 0 40 HJAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cc(C)c2nc(NN)sc2c1 226313546 KVAWOECESJFASP-UHFFFAOYSA-N 411.314 4.523 0 40 HJAB Cc1cc(Br)c2[nH]c(-c3cccc(I)c3)nc2c1 226343218 GUEJQRDJPAUPNU-UHFFFAOYSA-N 413.056 4.905 0 40 HJAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 257254039 KBILIJHDADNRNL-GBXCKJPGSA-N 418.581 4.605 0 40 HJAB C[C@@H](NC(=S)Nc1nc(N2CCCC2)cc(N2CCCC[C@H]2C)n1)c1ccccc1 260710408 HBXQLELFTUUPKQ-QZTJIDSGSA-N 424.618 4.503 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCC3)ccc2Cl)c1 408548428 RKXJTWTWEFVYGO-UHFFFAOYSA-N 420.962 4.902 0 40 HJAB COc1cc(CNc2ccc(Cl)cc2Cl)cc(I)c1O 408610659 RAKGNXTZXLAAKW-UHFFFAOYSA-N 424.065 4.924 0 40 HJAB Cc1cc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)ccc1Br 408643561 BRYATFBTCVFTPT-UHFFFAOYSA-N 417.086 4.860 0 40 HJAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)cc1C 408702148 KBUITKVGHMBTQY-UHFFFAOYSA-N 420.962 4.630 0 40 HJAB O=C1/C(=C\c2ccncc2)N=C(c2ccccc2Br)N1c1ccc(F)cc1 408848721 YAHFUAJBKSQQRK-CPNJWEJPSA-N 422.257 4.818 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)C1CCN(C(=O)c2cccc(Cl)c2)CC1 409023470 NJFLDANQMLNGKK-UHFFFAOYSA-N 410.823 4.850 0 40 HJAB Cc1cccc(NC(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)c1C 409151576 HESDWNXUCSNEGA-UHFFFAOYSA-N 423.538 4.919 0 40 HJAB CC1=C2C[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@H]2C[C@H]2O[C@H]3C[C@@H](C)CN[C@@H]3[C@H](C)[C@H]12 584578774 AROKXPQLAKZWRT-FJQGQEJCSA-N 411.630 4.858 0 40 HJAB Cc1sc2nc(C(F)(F)F)nc(NCC(C)(C)N3C[C@H](C)O[C@H](C)C3)c2c1C 1615566485 BQWDHMIXVIQLFP-PHIMTYICSA-N 416.513 4.627 0 40 HJAB CN(Cc1ccccc1)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 674001 YDKLOESHRIVDRB-HKUYNNGSSA-N 414.431 4.816 0 40 HJAB CCc1ccc(NC(=O)[C@H](C)OC(=O)CSc2cc(C)c3ccccc3n2)cc1 3222917 JEGBEGOVNSFASA-INIZCTEOSA-N 408.523 4.768 0 40 HJAB CCOc1ccc([C@@H]2C[C@@H](c3c(Cl)cccc3Cl)n3nc(N)nc3N2)cc1 3642408 NXGPFFHFQKGHBH-HOTGVXAUSA-N 404.301 4.712 0 40 HJAB Cc1cc(C)c2sc(N(CCN(C)C)C(=O)c3ccc4ncsc4c3)nc2c1 4359406 COBWXYIRLAATBT-UHFFFAOYSA-N 410.568 4.731 0 40 HJAB COc1ccccc1NC(=O)N(Cc1nnc2n1CCCCC2)c1ccc(C)cc1 4518113 GYZBJRALOCRGAN-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB C[C@@H](Sc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 4541381 PFNYVVRTLISIQY-CQSZACIVSA-N 410.461 4.661 0 40 HJAB CCOc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1OCC 5414141 AQRRVTTUADGEHZ-YVWKXTFCSA-N 406.519 4.645 0 40 HJAB Cc1ccc(CN(C)C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)o1 5421345 TTXFGTCNBZMXAU-OAQYLSRUSA-N 410.901 4.761 0 40 HJAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2F)N1CCc1ccccc1 6752876 SJQAQESBFCCTGN-XMMPIXPASA-N 413.452 4.709 0 40 HJAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1cc(-c2ccco2)nc2ccccc12 6989240 NWHFPRHOTKRPMF-QHCPKHFHSA-N 412.445 4.672 0 40 HJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(-c2nnco2)cc1 8745187 VGMHPXGIKSNGDL-UHFFFAOYSA-N 421.375 4.562 0 40 HJAB COc1ccc([C@H]2CCCCCN2CC(=O)N(C)Cc2nc3ccccc3s2)cc1 8938978 SQJIBBJCSZLYLT-OAQYLSRUSA-N 423.582 4.881 0 40 HJAB CC(C)[C@H]1C[C@](CC(=O)NCc2cccnc2)(Cc2ccccc2Cl)CCO1 8991408 FANDUUSCAJXVCM-FYYLOGMGSA-N 400.950 4.805 0 40 HJAB CC(=O)Nc1cccc(NC(=O)c2ccc3nc(-n4c(C)ccc4C)sc3c2)c1 9577339 JYRBCTLLUIMRNM-UHFFFAOYSA-N 404.495 4.915 0 40 HJAB Cc1ccc(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)cc1Cl 9599780 DYHYHWQNYAWGAK-UHFFFAOYSA-N 415.931 4.545 0 40 HJAB Cc1ccc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)c(Br)c1 11052577 NXKVFJKWLCGVFO-CYBMUJFWSA-N 402.288 4.773 0 40 HJAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)CC1 11378829 XGZLYPYJLUEFPE-UHFFFAOYSA-N 414.358 4.826 0 40 HJAB c1ccc(CN2CC[C@@H](NCc3ccc4c(c3)OCO4)[C@H](c3ccccc3)C2)cc1 12113170 KXBHLDGIMNJBAC-BJKOFHAPSA-N 400.522 4.563 0 40 HJAB O=C1CCCCC[C@H]1[C@@]1(O)C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 12377244 OEHWBUQTATWGLB-OPAMFIHVSA-N 418.320 4.877 0 40 HJAB O=C(c1ccccc1Nc1ccccc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 12522326 FBIIAMPPKOGIBQ-LJQANCHMSA-N 415.541 4.768 0 40 HJAB CC(C)C(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)CC1 12984729 XLOMDSDDFGIXMR-HSZRJFAPSA-N 404.510 4.533 0 40 HJAB COC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)c1 13000053 XXPTYAAYLKJPCA-UHFFFAOYSA-N 405.878 4.731 0 40 HJAB O=C(c1ccco1)N1CCN(c2ncnc3cc(-c4ccc(Cl)cc4)sc23)CC1 13117350 FLEQTCAHLUTUBA-UHFFFAOYSA-N 424.913 4.567 0 40 HJAB COc1ccc(-c2cc(NC(=O)c3cccnc3N3CCCC3)ccc2OC)cc1 14227819 DIRLFIRGADZJBI-UHFFFAOYSA-N 403.482 4.618 0 40 HJAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2nc(C)cs2)cc1 14241710 DOEOHCDPGXSSIY-HXUWFJFHSA-N 423.563 4.930 0 40 HJAB CC1=CC(C)(C)N2C(=O)[C@]3(S[C@@H](C)C(=O)N3c3ccc(F)cc3)c3cc(C)cc1c32 17093150 HQDGNQITBQJHIH-IZHWHUGBSA-N 422.525 4.998 0 40 HJAB COc1c(Cl)cc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1Cl 17093805 DTFZBRQYCHKWQC-UHFFFAOYSA-N 424.353 4.729 0 40 HJAB Cc1cc2sc(NC(=O)CCCc3nc(-c4cccnc4)no3)nc2cc1Cl 19125788 AKENMFXRSIPHRP-UHFFFAOYSA-N 413.890 4.665 0 40 HJAB O=C(NCc1cccs1)c1cc(C2CCN(Cc3ccc(Cl)cc3)CC2)no1 19343739 HQBAQJUAFUNRIH-UHFFFAOYSA-N 415.946 4.699 0 40 HJAB CC(C)c1nc([C@@H](Cc2c[nH]c3ccccc23)NCc2ccc(F)cc2)cc(=O)[nH]1 19453478 OOHYEAXTAWYZHL-OAQYLSRUSA-N 404.489 4.587 0 40 HJAB Cn1cc(CN2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)cn1 19690543 LILFPNNBSZWOKA-UHFFFAOYSA-N 414.475 4.804 0 40 HJAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(C(=O)C3CCCCC3)C2)c1 19694521 HNCPWAMVNAPXBX-HXUWFJFHSA-N 422.573 4.505 0 40 HJAB COc1ccccc1OCc1nnc(SCc2cccc(Br)c2)o1 19928545 QYVCRYCLRJHXEE-UHFFFAOYSA-N 407.289 4.712 0 40 HJAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Br)cn1 21001755 IKXGYEXRKPOWNH-UHFFFAOYSA-N 404.091 4.949 0 40 HJAB COc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F 22075774 YYNVTURTKYILPY-NRFANRHFSA-N 415.892 4.890 0 40 HJAB COc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 22107587 VVKLBOPOWVGVDO-LJQANCHMSA-N 403.931 4.812 0 40 HJAB O=C(Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1)Nc1cccc(Cl)c1 23138301 BDCZEIMBHWQUBQ-UHFFFAOYSA-N 420.321 4.550 0 40 HJAB COc1cccc([C@@H](CNC(=O)c2ccc(SC(F)F)cc2)N2CCCC2)c1 24830630 GJOKYTDTNSVNDH-LJQANCHMSA-N 406.498 4.577 0 40 HJAB Cc1ccc(-n2c(SCC(=O)NC3CCCC3)nnc2-c2ccccc2)c(C)c1 27753552 QEDZITPIHAUNIJ-UHFFFAOYSA-N 406.555 4.702 0 40 HJAB COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(Br)c[nH]1 30476593 LBOZLEJGZHRCOR-UHFFFAOYSA-N 405.317 4.690 0 40 HJAB C[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 32622309 DUWXTKUGIGGZJI-HNNXBMFYSA-N 403.413 4.949 0 40 HJAB O=c1/c(=C\c2c[nH]c3ccc(OCc4ccccc4)cc23)sc2nc3ccccc3n12 33334352 OJFPLQDVOIZKHN-FSJBWODESA-N 423.497 4.517 0 40 HJAB CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCCc1c[nH]cn1)n2C 33435948 ZJIZZUBDFCKGSJ-UHFFFAOYSA-N 406.917 4.757 0 40 HJAB COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@H](COC(C)=O)[C@H]2CCc1ccoc1C=O 33681875 ZHHSQWXVDIXZCB-UKGDMYDFSA-N 418.530 4.600 0 40 HJAB biogenic COc1cccc(Cn2c3ccc(C)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1 35400608 RBGMSQFNKYEVOY-UHFFFAOYSA-N 409.489 4.765 0 40 HJAB Cc1sc2ncnc(SCCC(=O)NCCc3c[nH]c4ccccc34)c2c1C 40287905 PNSGZBSMAGPTSC-UHFFFAOYSA-N 410.568 4.631 0 40 HJAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)cc12 48273458 CAGLWFKCTJGCMO-NRFANRHFSA-N 411.571 4.648 0 40 HJAB Cc1ccccc1OCCN1CC[C@H](c2c(C(=O)N(C)C)sc3ccccc23)C1 72352318 IJBLUPGTLKHKGL-SFHVURJKSA-N 408.567 4.780 0 40 HJAB O=C(CCOc1ccccc1)N1CCC[C@@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 72380410 BNVROFNOTAHDHZ-GOSISDBHSA-N 409.917 4.905 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)Cn2nc(C)nc2-c2ccc(Cl)c(Cl)c2)c1C 84007845 XHIRGXWMYFVUJP-UHFFFAOYSA-N 405.285 4.591 0 40 HJAB O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1nc2cc3c(cc2s1)OCCO3 84522297 LXYPXQGERSIWAW-GFCCVEGCSA-N 408.401 4.742 0 40 HJAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5cccnc5)cc34)co2)cc1 96154307 IFCKNFMOXCKRLB-UHFFFAOYSA-N 410.433 4.783 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 222493405 FOPBZYKAJQGMPW-DEOSSOPVSA-N 424.585 4.829 0 40 HJAB CCc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 223228581 JBXSERKVFZWJLW-SFHVURJKSA-N 422.550 4.849 0 40 HJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCSc1ccccc1 223721538 VAOCDVWUNVWGFP-LJQANCHMSA-N 410.583 4.645 0 40 HJAB Cc1ccc(OCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1Cl 224181029 GNMKGWOGKPEPTB-GOSISDBHSA-N 421.368 4.709 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCSc1ccccc1 225460261 AKGYTIARTXUPRF-KNQAVFIVSA-N 412.599 4.891 0 40 HJAB CCOC(=O)COc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1 225934571 XZZSZKRUMUSFFZ-UHFFFAOYSA-N 403.478 4.573 0 40 HJAB O=C1Nc2ccccc2[C@]12Sc1nc(-c3ccccc3)c(-c3ccccc3)n1C2=O 226759260 JDCSZURHDZSZFO-DEOSSOPVSA-N 409.470 4.811 0 40 HJAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc(C)c4)cc3)C2=O)cc1 409248312 PLTDIEKQUOSVMG-BUVRLJJBSA-N 412.489 4.975 0 40 HJAB COc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](CN4CCCCC4)C3)cc2)c1 527083002 UGRKTLYKUNOPDX-IBGZPJMESA-N 409.530 4.827 0 40 HJAB CN1CC2(CCCCc3ccccc3OCC1=O)CCN(Cc1ccccc1F)CC2 643563784 VEZONRAQOCCFRQ-UHFFFAOYSA-N 424.560 4.672 0 40 HJAB O=C1C[C@@H]2CCN(CCC(F)(F)F)C[C@@H]2CCOc2ccc(C(F)(F)F)cc2N1 1534646383 IUHYJYLCFMWJCN-STQMWFEESA-N 424.385 4.707 0 40 HJAB CN(CC1CCN(C(=O)C2CCC(F)(F)CC2)CC1)c1cc(C(F)(F)F)ccn1 1888849660 DJTDDWWRNXACBE-UHFFFAOYSA-N 419.438 4.601 0 40 HJAB CC(C)CN1C(=O)C2(CCN(c3cc[nH]c4nccc3-4)CC2)C[C@H]1Cc1ccccc1 2037843349 BVCMNYALXOPFSE-OAQYLSRUSA-N 416.569 4.601 0 40 HJAB CC1(C)C[C@]2(CCCN2C(=O)c2cnccc2C(F)(F)F)CN1c1ccc(F)cc1 2037988409 FCETVKMYJWDQOE-OAQYLSRUSA-N 421.438 4.903 0 40 HJAB CCc1cc(I)ccc1NC(=O)COc1ccc(C(C)C)cc1 1263810 YUQCPEQHNGBGGN-UHFFFAOYSA-N 423.294 4.995 0 40 HJAB CC(=O)c1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1 2094116 RFQJWIGRVFXBSA-UHFFFAOYSA-N 403.434 4.930 0 40 HJAB biogenic Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1 2255240 SJBGRDLTAGYTNG-ZEQRLZLVSA-N 410.452 4.938 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccccc1 2704287 MROGHFUXPQUFJX-OAQYLSRUSA-N 417.848 4.897 0 40 HJAB COc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(OC)c(OC)c1)O2 4291748 AMXVGDZWMXQINT-OFVILXPXSA-N 416.477 4.955 0 40 HJAB Cc1ccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nnc2-c2ccccc2)cc1 4840795 MAHDUMJKJWVFMN-UHFFFAOYSA-N 408.571 4.980 0 40 HJAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1ccc(C)c(C)c1 5043230 ULMDXZXJGBICPC-JXFKEZNVSA-N 417.303 4.844 0 40 HJAB COc1ccc2sc(N(Cc3cccnc3)C(=O)/C=C/c3ccccc3)nc2c1 5142286 ZHXLYVZLOKMAFW-FMIVXFBMSA-N 401.491 4.947 0 40 HJAB COc1ccc(CN(Cc2ccco2)C(=O)c2cc3cc(F)ccc3[nH]2)cc1OC 5345622 HDEYKTHMPRKDNS-UHFFFAOYSA-N 408.429 4.760 0 40 HJAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2ccccn2)cc1 5622493 HZTQSFLLJIHUCP-NRFANRHFSA-N 403.507 4.560 0 40 HJAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)/C(=C/c1ccccc1)n1nnnc1C 6179967 DAXXEQPENSJKKQ-HMAPJEAMSA-N 404.514 4.637 0 40 HJAB COc1ccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl 6558428 NJXMUTMXCWXJEZ-UHFFFAOYSA-N 410.857 4.509 0 40 HJAB C[C@@H]1CSC(N(C(=O)c2cncc(Br)c2)c2ccc(Cl)cc2)=N1 6578564 LLWWETXVFYZCIT-SNVBAGLBSA-N 410.724 4.636 0 40 HJAB CC(=O)c1cccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)Cc2cccs2)c1 7735562 NZUOXIRQDSYVTJ-SFHVURJKSA-N 407.535 4.990 0 40 HJAB CCCN1C(=O)c2ccccc2N[C@H]1c1cc(Br)c(OC)c(OCC)c1 7886648 UDXZHZPNACLMGT-LJQANCHMSA-N 419.319 4.833 0 40 HJAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cccc(F)c4)cc3C[C@H]2C)cc1 10326636 YVUGIIKFVVFFLJ-MRXNPFEDSA-N 424.497 4.526 0 40 HJAB COc1cc(Cl)c(NC(=O)c2cccc(OCc3csc(C)n3)c2)cc1OC 11069368 SKRYSIANALJMAN-UHFFFAOYSA-N 418.902 4.953 0 40 HJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 11115485 WNYJAXFXZBKDEY-UXHICEINSA-N 413.930 4.856 0 40 HJAB Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)c3cccnc3)cc2)on1 12159071 QCKVMESOPLRHKJ-UHFFFAOYSA-N 413.481 4.555 0 40 HJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(C)Cc1ccccc1 12586825 PQDMXLBTFFKBEO-UHFFFAOYSA-N 408.523 4.662 0 40 HJAB CS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1 12755371 JBIAXVLQFMFAMA-UHFFFAOYSA-N 420.465 4.697 0 40 HJAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 12793096 MYRZGCJLENQFRC-QGZVFWFLSA-N 400.935 4.941 0 40 HJAB CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 13228273 ISZICNUEWDIEFY-NRFANRHFSA-N 414.486 4.968 0 40 HJAB COc1ccc2c(CC(=O)N(C[C@H]3CCCO3)c3nc4ccccc4s3)coc2c1 14498404 FIJNIYPPQJNYNK-QGZVFWFLSA-N 422.506 4.806 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 16022738 BNPTUKMDXYZAAZ-CYBMUJFWSA-N 423.866 4.948 0 40 HJAB Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3O)nc2c1 16348446 SLKWKONNXSKOEW-UHFFFAOYSA-N 417.490 4.565 0 40 HJAB CCCC(=O)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19501307 HTOWICCHFQAODW-SFHVURJKSA-N 419.504 4.927 0 40 HJAB Cc1ccc2[nH]c(Cc3ccc(NC(=O)c4cc(=O)n(C)c5ccccc45)cc3)nc2c1 19715090 GKUABOXXRDBMDH-UHFFFAOYSA-N 422.488 4.566 0 40 HJAB O=C(c1cc(C2CC2)n[nH]1)N1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 19719900 ZWDIXNQJSWGOIF-UHFFFAOYSA-N 418.444 4.628 0 40 HJAB CC(C)Cc1ccc([C@@H](C)NC(=O)CSc2nnc(-c3cccs3)o2)cc1 23643174 FHUCGBAHCABACG-CQSZACIVSA-N 401.557 4.966 0 40 HJAB COc1cc(CNC(=O)c2occc2COc2ccccc2)ccc1OCC(C)C 25882430 AAEJFSXVTLLDPX-UHFFFAOYSA-N 409.482 4.832 0 40 HJAB CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nccn2-c2cccc(Cl)c2)cc1 26047995 YDXSTJCUTZZEGS-CQSZACIVSA-N 413.930 4.698 0 40 HJAB COc1ccc(CCC(=O)Nc2nc(-c3ccccn3)cs2)cc1Br 30608885 QISAGNDRMQSGCE-UHFFFAOYSA-N 418.316 4.548 0 40 HJAB Cc1nc(-c2cccc(NC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)c2)cs1 32675945 HAPQNXHSNGCUMX-BEFAXECRSA-N 405.523 4.667 0 40 HJAB Cc1[nH]c(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 32933264 IGJYVTXHEGCXFI-GFCCVEGCSA-N 418.280 4.876 0 40 HJAB Cc1ccn2c(=O)cc(CSc3ccccc3NC(=O)C3CCCCC3)nc2c1 33025951 GRNIPNQSNYKBDX-UHFFFAOYSA-N 407.539 4.814 0 40 HJAB CCCn1ncc2c(C(=O)Nc3ccccc3-n3nc(C)cc3C)cc(C3CC3)nc21 36616328 WESSZIWRDRDTCH-UHFFFAOYSA-N 414.513 4.774 0 40 HJAB O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCC[C@@H]1c1ccsc1 40110431 UBCGQDDADBYCDR-QGZVFWFLSA-N 418.565 4.588 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)Cc2ccccc2Cl)cc1 40112097 ABHXCLLJAXYKMX-OAHLLOKOSA-N 414.962 4.707 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 46058041 OQNRXWVYGPLUBG-UHFFFAOYSA-N 408.932 4.511 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)Nc1c(N2CCCC2)c2ccccc2oc1=O 57630881 IYZVYFGDVADCKO-UHFFFAOYSA-N 401.825 4.830 0 40 HJAB Fc1ccc([C@@H]2CN(Cc3cc(Br)ccc3OC(F)F)CCO2)cc1 58014202 CREMAIYRLMOVDZ-KRWDZBQOSA-N 416.237 4.763 0 40 HJAB CNC(=O)c1ccc(CN(C(=O)Nc2ccccc2N2CCCCCC2)C2CC2)cc1 58062898 FWPSVXUXAJQMCB-UHFFFAOYSA-N 420.557 4.623 0 40 HJAB CCCn1cc(-c2nc(-c3ccccc3Br)no2)c(=O)c2ccccc21 64963677 AFNQJRMFXKZTKT-UHFFFAOYSA-N 410.271 4.891 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1cc(C)nc(-c2ccc(F)cc2)n1 67257232 PKPKETGUUWJUOF-UHFFFAOYSA-N 417.893 4.984 0 40 HJAB COc1ccc(Cl)cc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 67293398 DAPLLTDVCWQZDQ-LVWGJNHUSA-N 421.840 4.680 0 40 HJAB Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc2c(c1)OCCO2 67296936 IZNXXBJXNOPRNP-QPLCGJKRSA-N 412.445 4.997 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1nnc([C@H]2CCCO2)s1 71282885 DQVRVCWGATYNHI-GFCCVEGCSA-N 406.920 4.727 0 40 HJAB Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl 71761805 XKGZNZUPQOCOBQ-UHFFFAOYSA-N 423.991 4.632 0 40 HJAB COc1ccccc1NC(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1 77200390 LUUNDJUCJKZMJW-DLBZAZTESA-N 401.438 4.516 0 40 HJAB COc1cc(OC)c2cc(CCCNC(=O)CCc3ccc(Cl)s3)[nH]c2c1 79057512 MRKOTUVDGUSCIN-UHFFFAOYSA-N 406.935 4.582 0 40 HJAB N=c1c2c(ncn1Cc1ccco1)Oc1cc(O)ccc1[C@@H]2c1ccc(Cl)cc1 101363611 XRGMYDWLRJTWAA-IBGZPJMESA-N 405.841 4.649 0 40 HJAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)C[C@H](O)C(F)(F)F)CC[C@@H]12 118915661 JVSPILBDVWXPBS-PEEWGNIZSA-N 416.524 4.889 0 40 HJAB in-vitro CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(OC)c1 222976923 FPJOCBVWKRHUGA-YADHBBJMSA-N 406.555 4.654 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1Cc1ccco1 223354692 LPEVOTZMZACNFX-VXKWHMMOSA-N 400.507 4.638 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 223731938 QLVDBQOMXLKRTF-XMMPIXPASA-N 424.585 4.714 0 40 HJAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)s2)cc1 223959424 XQOPZPBHNWHATK-UXHICEINSA-N 408.552 4.587 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224110389 RSIUMWFWHBJOFC-INIZCTEOSA-N 421.368 4.725 0 40 HJAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)c(C)c1 224166414 NSGBHAUACVKTKK-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB CCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1COC(C)C 224722082 MNGJWGMZSUKXIL-UHFFFAOYSA-N 407.894 4.933 0 40 HJAB Cc1cc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)ccc1Cl 224849709 SYTKFFZFNPJUGP-GOSISDBHSA-N 400.950 4.718 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC[C@H](C)c2ccccc2)cc1 225139866 SGIPNIDQKAHZNX-CEZZIEKDSA-N 404.535 4.747 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 225525566 JCYDHWHXUUNHSQ-XMSQKQJNSA-N 414.977 4.913 0 40 HJAB Cc1cccc(-c2noc(CNC(=S)Nc3ccc(OC4CCCC4)cc3)n2)c1 225815378 BMJIYDWWRYVEER-UHFFFAOYSA-N 408.527 4.853 0 40 HJAB C[C@@H]1CCCCN1c1ccc(N)cc1C(=O)Nc1c(F)cc(F)cc1Br 226324711 RWEXCAJVSIRZCD-LLVKDONJSA-N 424.289 4.941 0 40 HJAB COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 253498538 HSVJCMLFGCXOCJ-ZRMAOCTGSA-N 402.575 4.935 0 40 HJAB Cc1ccccc1-c1nc2sc(=Cc3ccc(-c4cccc(Cl)c4)o3)c(=O)n2n1 254423327 MRDHUOSGSUYTHV-UHFFFAOYSA-N 419.893 4.588 0 40 HJAB CCC(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N2CCCC2)CC1 257246418 IUARWCBSHYHEBX-UHFFFAOYSA-N 410.583 4.599 0 40 HJAB Cc1nc([C@@]2(O)CCCN(C3CCCC3)CC2)sc1CCOc1ccc(F)cc1 257279691 OHTOBRPVVOWRKX-HSZRJFAPSA-N 418.578 4.828 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3cccc(OC)c3)N21 260753191 BPYKJIXIZMHSQF-HVETUWLQSA-N 404.539 4.860 0 40 HJAB CCOc1ccccc1N1C[C@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O 408667147 QHXLYGJAXKKPTQ-LJQANCHMSA-N 401.462 4.711 0 40 HJAB COc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)sc2CC(=O)O)cc1 408893307 DQUYPRUPHOIDPA-UHFFFAOYSA-N 409.294 5.496 0 40 HJAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccc3c(c2)CCCO3)cc1 585091726 FMMTXKLZADQKPT-UHFFFAOYSA-N 401.462 4.552 0 40 HJAB Cc1ccccc1C(=O)N1CCCCN(C)C(=O)c2ccccc2OC[C@@H]1CC(C)C 643584656 SJSFEBZMWGKLCX-NRFANRHFSA-N 422.569 4.797 0 40 HJAB FC(F)(F)c1cc(Cn2cc(I)cn2)cc(C(F)(F)F)c1 685936267 NTISTYFLRWVXRE-UHFFFAOYSA-N 420.094 4.574 0 40 HJAB COc1cn(C)nc1[C@H](C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 1156897571 PMSSTILYSZXDHY-ZDUSSCGKSA-N 403.404 4.606 0 40 HJAB CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2cc1O[C@@H](C)C(=O)OC 634093 RIWQFMQBPNPOGZ-ZDUSSCGKSA-N 423.490 4.881 0 40 HJAB COc1cc(/C=C2\N=C(c3ccccc3Br)OC2=O)ccc1OC(C)C 662741 KRZAEIRROQQKDZ-YBEGLDIGSA-N 416.271 4.589 0 40 HJAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCC(C)C)cc2c1 875267 AVCFMVUDCVMZRZ-UHFFFAOYSA-N 411.546 4.508 0 40 HJAB Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1C 2186986 KWPGFTLIJXSBCN-NRFANRHFSA-N 407.514 4.859 0 40 HJAB biogenic CC(C)[C@@H](NC(=O)CCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 2318798 GDTJRVIADCRKPU-HSZRJFAPSA-N 406.526 4.747 0 40 HJAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c1OC 2621951 PMVGVVFLKYWNSL-FOCLMDBBSA-N 417.461 4.566 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3nnc(C4CC4)s3)c3ccccc3n2)cc1 2644650 GDUZRLGJUVBDSR-UHFFFAOYSA-N 402.479 4.892 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(Cl)cc2Cl)cc1 2711854 DMJLEPQEQYXROD-UHFFFAOYSA-N 415.367 4.596 0 40 HJAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=S)NC(=O)C(C)(C)C 3281420 SFTMHOYXWMALNO-UHFFFAOYSA-N 408.520 4.590 0 40 HJAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c1C 3338538 WWJWPVKLQCDPKJ-UHFFFAOYSA-N 417.461 4.858 0 40 HJAB COc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3ccccc3C)n2)cc1 4169385 ZHPZSHVMZHNSBW-UHFFFAOYSA-N 409.555 4.726 0 40 HJAB Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)c1 4585211 PIMZDSLHRPCUJF-UHFFFAOYSA-N 403.869 4.967 0 40 HJAB O=C(CCC(=O)N1CCc2ccccc2C1)Nc1ccc(OCc2ccccc2)cc1 4699002 WIOFTHDVTXYCRW-UHFFFAOYSA-N 414.505 4.569 0 40 HJAB C[C@@H](NC(=S)NC(=O)c1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 4699569 BNQBKMVBIFMVBS-JSFDKUKPSA-N 421.404 4.658 0 40 HJAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(C(C)C)cc2)n2ncnc2N1 4705300 UNLXHSPBWLSPKC-QFIPXVFZSA-N 401.514 4.946 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1C[C@@H](C)C[C@H](C)C1 4747721 NXBHXJUJLANLDR-HOTGVXAUSA-N 400.544 4.508 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C(C)C)cc1 4816700 CZHHCKIHBOYPHG-VQTJNVASSA-N 410.905 4.664 0 40 HJAB CSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C(C(=O)Nc1ccccc1)=C(C)N2 4933002 XGVNDOLAIVMZMY-QGZVFWFLSA-N 411.918 4.581 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 5516263 GMASQUULOSTENA-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCCOc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)c1 6349955 KHAVCHNNORSUHH-UHFFFAOYSA-N 417.962 4.856 0 40 HJAB Cc1ccc(-c2c(C)sc3nc(CSc4nnc(C5CC5)o4)[nH]c(=O)c23)cc1 7242515 PXHOWBNQWSIVNM-UHFFFAOYSA-N 410.524 4.821 0 40 HJAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCC2=O)cc1 7641068 ABULMVDXYCAAKF-UHFFFAOYSA-N 409.338 4.992 0 40 HJAB CCOc1c(Br)cc(C(=O)N[C@H]2CCCc3ccccc32)cc1OC 7699017 HNUGYVRVRAKJIW-KRWDZBQOSA-N 404.304 4.664 0 40 HJAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 7987069 OPFDMEYDCSYHJE-GOSISDBHSA-N 410.564 4.793 0 40 HJAB C[C@H](c1nnc(SCCOc2cccc(Cl)c2)n1-c1ccc(F)cc1)N(C)C 8192815 OXGBVWKQDVGPGQ-CQSZACIVSA-N 420.941 4.854 0 40 HJAB COc1cc2c(cc1NC(=O)CCCn1c(=O)oc3ccccc31)oc1ccccc12 8487191 QUQYMHWOBHCCME-UHFFFAOYSA-N 416.433 4.921 0 40 HJAB Cc1cccn2cc(CSc3nnc(-c4ccco4)n3Cc3ccccc3)nc12 9156901 SUQSTLFNOBOOPP-UHFFFAOYSA-N 401.495 4.835 0 40 HJAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1O 9233332 ZYQVOVZPBKAXBP-LZYBPNLTSA-N 410.278 4.944 0 40 HJAB COc1ccc(-n2c(SCC(=O)c3ccc[nH]3)nnc2-c2ccccc2)cc1Cl 9284032 AYUQMODFRXWWHM-UHFFFAOYSA-N 424.913 4.899 0 40 HJAB CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1Br 9479387 DYACRIBDAASARN-UHFFFAOYSA-N 413.315 4.733 0 40 HJAB O=C(COC(=O)Cc1cccs1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 10530666 GEURJCFXEAJEDK-UHFFFAOYSA-N 411.323 4.510 0 40 HJAB CCCn1c(S[C@@H](C)C(=O)Nc2cc(C)on2)nc2ccc(C(F)(F)F)cc21 11021888 OFLXYSJPERVJEV-NSHDSACASA-N 412.437 4.881 0 40 HJAB CCN(CC)C[C@@H]1CCCN(Cc2c(-c3ccc(OC)cc3)[nH]c3ncccc23)C1 12144240 WPOZAEWIYCXDIT-IBGZPJMESA-N 406.574 4.792 0 40 HJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NCCc2ccccc2)cc1 12419379 KBPNJFUHHAKECR-UHFFFAOYSA-N 408.479 4.730 0 40 HJAB CCc1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 12506832 REJLBZCIQVDFPQ-LJQANCHMSA-N 404.539 4.962 0 40 HJAB COc1ccc([C@H](NC(=O)c2oc3c(Cl)cccc3c2C)c2nccn2C)cc1 12535129 ZMNRIXZHUMXELF-SFHVURJKSA-N 409.873 4.656 0 40 HJAB Cc1cc(C)c(C)c(S[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1C 12593583 CXSQCHYGHQOUSV-AWEZNQCLSA-N 424.488 4.573 0 40 HJAB COc1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc(OC)c1Br 12793385 UDTFMEPDVSAZBV-LBPRGKRZSA-N 422.344 4.997 0 40 HJAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(OC)c(Br)c(OC)c1 12822479 CPHSLDPIMKYKDL-CQSZACIVSA-N 406.320 4.907 0 40 HJAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 12905214 XHRJUDNWRDHXNA-RUZDIDTESA-N 416.521 4.588 0 40 HJAB Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccs1)C3 13634436 SDEHCBMOOKHRIB-OAHLLOKOSA-N 406.536 4.699 0 40 HJAB CCOCCN1CCN([C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 19369484 CPMIJBSXELTQTD-HXUWFJFHSA-N 402.991 4.743 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCC2)C1 19449105 DXGQPBHYNMYJFA-DEOSSOPVSA-N 410.583 4.501 0 40 HJAB CCn1ncc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)c1C 19687436 JTNCHDMFSWPXBR-NRFANRHFSA-N 424.980 4.725 0 40 HJAB Cc1nn(C)cc1-c1cc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)n[nH]1 19718966 JDRWJOFBYRXOLU-UHFFFAOYSA-N 414.494 4.648 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(-c3cccs3)on2)sc(C(=O)CC)c1C 20572837 MWJZNCXJWVSJNL-UHFFFAOYSA-N 418.496 4.795 0 40 HJAB COc1cccc(Nc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 22072885 BVHAXCTXAPNUAI-UHFFFAOYSA-N 403.360 4.985 0 40 HJAB Cc1cc(OCC(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)no1 23296041 USIOYLBIQOOANQ-UHFFFAOYSA-N 403.510 4.914 0 40 HJAB C[C@@H]1Cc2cc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)ccc2O1 25767156 AHYBNLWIFFFWHQ-CQSZACIVSA-N 405.538 4.983 0 40 HJAB CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nccn2-c2cccc(C)c2C)cc1 26047401 GLNKFXYXIZJCBT-QGZVFWFLSA-N 407.539 4.661 0 40 HJAB CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2nccn2-c2ccccc2)s1 26128146 ITSLGHVGBXIWEX-UHFFFAOYSA-N 413.568 4.571 0 40 HJAB CN(C(=O)CSc1nccc(C(F)(F)F)n1)C(c1ccccc1)c1ccccc1 26339379 PHJPEXCKKZJZIH-UHFFFAOYSA-N 417.456 4.836 0 40 HJAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccccc1OC(F)F 29195209 ILHJARLGBUJUDM-LJQANCHMSA-N 420.506 4.997 0 40 HJAB Cc1nc(-c2cccs2)c(CC(=O)NC2CCN(Cc3ccccc3)CC2)s1 29563124 UBYSNSRZROSAQY-UHFFFAOYSA-N 411.596 4.503 0 40 HJAB Cc1ncc(NC(=O)c2ccc(F)c(F)c2)n1-c1nc(-c2ccc(F)cc2)cs1 32615932 LPVQENGQXOWQDG-UHFFFAOYSA-N 414.412 4.974 0 40 HJAB FC(F)(F)c1cccc(N2CCN(Cc3noc(-c4ccc(Cl)cc4)n3)CC2)c1 32753092 GYOKOWPETNPRPW-UHFFFAOYSA-N 422.838 4.731 0 40 HJAB CC(C)(C)c1nc2cc(NC(=O)Cn3c(-c4cccs4)n[nH]c3=S)ccc2o1 32818768 YMZOLJDFYIFHBC-UHFFFAOYSA-N 413.528 4.747 0 40 HJAB CCc1ccc(Oc2cc(N3CCC(C(=O)N[C@@H]4CCCC[C@H]4C)CC3)ncn2)cc1 33311973 ZIKAISIEGXXOFF-XMSQKQJNSA-N 422.573 4.743 0 40 HJAB COc1ccc(OC)c(NC(=O)CSc2nc(C(C)(C)C)nc3ccccc23)c1 35312155 JIVVGOOPTAKXTP-UHFFFAOYSA-N 411.527 4.675 0 40 HJAB Cc1nn(C)cc1-c1nn(-c2cccc(Cl)c2)c(-c2cn(C)nc2C)c1Cl 36611631 RZJVVDKWRBRFJB-UHFFFAOYSA-N 401.301 4.597 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(F)ccc1OCC(F)(F)F 37150072 PCMNJJBKIGNJGS-GOSISDBHSA-N 422.378 4.670 0 40 HJAB C[C@H]1CCCN(Cc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)C1 38857333 BZZKFGUOYPSMNS-IBGZPJMESA-N 411.977 4.534 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1C 40132765 MJBBOBDBEBPDAZ-UHFFFAOYSA-N 419.529 4.891 0 40 HJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Nc1nnc(C2CC2)s1 40150539 WVBLZDLRFSWTOU-CQSZACIVSA-N 421.526 4.893 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1 41001913 YEBWBTQOBJOINA-UHFFFAOYSA-N 407.470 4.573 0 40 HJAB COc1cccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c1OC 60388969 DXTCFIXFJLEYBC-UHFFFAOYSA-N 421.931 4.753 0 40 HJAB CN(Cc1ccc(Cl)s1)C(=O)c1[nH]nc(-c2ccccc2)c1Br 65105435 AWLPZMRFASPKLC-UHFFFAOYSA-N 410.724 4.826 0 40 HJAB O=C(c1ccccc1)N1CCCCC[C@H]1C1CCN(c2ncnc3ccccc23)CC1 69979234 TZXODBGXMAJJPG-DEOSSOPVSA-N 414.553 4.931 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cnc(N3CCCCC3)c(C)c2)cc1 72219198 ICSNMEXSFDKLPM-JOCHJYFZSA-N 413.587 4.605 0 40 HJAB COc1ccc(OC)c(NC(=O)c2cc(Cl)c3cccc(Br)c3n2)c1 72294364 NPLHRNRDIGOITR-UHFFFAOYSA-N 421.678 4.920 0 40 HJAB COc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccc(SC)cc5)no4)c3CO2)cc1 97077859 OKALSGUDCVULAX-LJQANCHMSA-N 420.494 4.602 0 40 HJAB CSc1nc(C(C)C)nc(C)c1C(=O)NCc1ccc(F)cc1C(F)(F)F 97393194 KSUMVLFSUPRZHB-UHFFFAOYSA-N 401.429 4.718 0 40 HJAB CCOC(=O)/C(=C\Nc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1 104214737 BBLFDWITKFUTNG-HAVVHWLPSA-N 416.477 4.512 0 40 HJAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(Br)s2)cc1 216481034 YPBDRHNAPBTGSA-CQSZACIVSA-N 418.378 4.585 0 40 HJAB COc1cc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c(OC)cc1Cl 219464056 VKCNBCKWYKSYCU-UHFFFAOYSA-N 424.884 4.890 0 40 HJAB CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCC 223270003 KCYGWGQAXRHWMR-XMMPIXPASA-N 424.585 4.742 0 40 HJAB CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223354938 IIZWOIKSDXQUKE-RUZDIDTESA-N 400.522 4.525 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 225067709 FUNFPSKWTXCIRT-XMMPIXPASA-N 406.570 4.794 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 225175077 SCAHDTREAAQSMR-MSOLQXFVSA-N 400.950 4.605 0 40 HJAB COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(Br)c(C)c1 225786284 AVPOYBMZKQSHCY-ZDUSSCGKSA-N 409.349 4.520 0 40 HJAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc3c4c(cccc24)CC3)c2ccccc12 226861691 QWECVQCEXZRPHL-UHFFFAOYSA-N 417.486 4.818 0 40 HJAB CCCCc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)[nH]n1 257201492 AHXDPVSIODZWIC-HXUWFJFHSA-N 412.921 4.962 0 40 HJAB O=C(NC1CCCCCC1)c1nc([C@@H]2CCCN2Cc2ccccn2)n2ccccc12 306141407 VUSNJGISLIYFSQ-QFIPXVFZSA-N 417.557 4.519 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)c(C)c1 408584045 LGZUWUOXCMOTEB-UHFFFAOYSA-N 401.532 4.512 0 40 HJAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccccc1C(=O)c1ccccc1 409177651 HJRIMSGQXCYVFZ-UHFFFAOYSA-N 404.491 4.607 0 40 HJAB CCCCCC1=NN(C(=O)CSCc2ccccc2Cl)[C@](O)(C(F)(F)F)C1 409180974 ZZUGGGKNUPOPFQ-QGZVFWFLSA-N 422.900 4.993 0 40 HJAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc2ccccc12 409194960 NQNSNZUKWYWOKO-YBFXNURJSA-N 422.868 4.603 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(-c2cc3cccc(OC)c3o2)n1C 409332508 PSGAFYXVZCVIRJ-UHFFFAOYSA-N 422.510 4.530 0 40 HJAB Cc1cccc(C)c1C(=O)N1CCC2(CC1)Cc1ccccc1CN(C(C)C)C2=O 1565551709 JNRZXHCRFBFCDP-UHFFFAOYSA-N 404.554 4.519 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)C[C@@H](C)CC5)c1 929544 KRVPXTFCFYNXJL-ZDUSSCGKSA-N 423.567 4.503 0 40 HJAB CC(=O)S[C@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@]34CCC(=O)O4)[C@@H]12 1066738 LXMSZDCAJNLERA-PUTTYKDHSA-N 416.583 4.852 0 40 HJAB Cc1sc2nc(C(C)C)n3c(SCC(=O)N(C(C)C)C(C)C)nnc3c2c1C 1336252 LMUQYQWUUJNJKC-UHFFFAOYSA-N 419.620 4.817 0 40 HJAB O=C(CN1CCCc2ccccc21)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2207027 CVCYVSVUECIDCL-UHFFFAOYSA-N 404.897 4.962 0 40 HJAB CC(C)CCNC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 2265678 SYOMGVIEUMBNIS-UHFFFAOYSA-N 407.905 4.585 0 40 HJAB COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2F)cc1 2419345 OTZALODYROGZHN-JOCHJYFZSA-N 415.420 4.686 0 40 HJAB Cc1ccccc1NC(=O)COC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 2645941 NGROKSMTRVCXRW-UHFFFAOYSA-N 419.506 4.558 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)N3CCCCC3)cc12 3229575 BCTSPPJNOZVDQJ-UHFFFAOYSA-N 407.466 4.668 0 40 HJAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CCSc1ccccc1F 4463995 GLZDMMIWJQJHBF-DEOSSOPVSA-N 420.509 4.608 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1C 4592683 FNIVTKLRINNHER-ZDUSSCGKSA-N 410.823 4.967 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(O)cc2)n2c(nc3ccccc32)N1 4742066 IBGZPTSHPAYLFD-QHCPKHFHSA-N 410.477 4.978 0 40 HJAB CCCCC1=NN(C(=O)COc2cc(C)ccc2C(C)C)[C@](O)(C(F)(F)F)C1 5024521 FZXHAVUXGBCYFT-LJQANCHMSA-N 400.441 4.527 0 40 HJAB O=C(COc1ccc2ccccc2c1)Nc1ccc(-c2cn3c(n2)SCC3)cc1 5083881 NUDGURBFXWAKGP-UHFFFAOYSA-N 401.491 4.827 0 40 HJAB O=C(CSc1nncn1-c1ccccc1F)N(Cc1ccco1)C1=CCCCC1 5087383 UFQWABALFWHCQX-UHFFFAOYSA-N 412.490 4.578 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccnc2)N1Cc1ccccc1Cl 5516518 IQVFMWCWYHXLLT-HXUWFJFHSA-N 402.837 4.587 0 40 HJAB COC(=O)CC[C@@H](C)[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[C@H]3O 6036242 GRQROVWZGGDYSW-IFJDUOSNSA-N 406.607 4.566 0 40 HJAB in-vitro CCOc1cc(C[C@H]2SC(=O)N(CC)C2=O)ccc1OCc1cccc(Cl)c1 6952923 YKTISYVCWAYZNN-LJQANCHMSA-N 419.930 4.944 0 40 HJAB COc1ccc(-c2nnc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)o2)cc1 7088274 PMSCASYFOZINBR-LJQANCHMSA-N 409.511 4.591 0 40 HJAB O=C(CCCn1c(=O)oc2ccccc21)Nc1nc(-c2ccc(Cl)cc2)cs1 7723684 KLEUOCGCJXUWHG-UHFFFAOYSA-N 413.886 4.790 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(C(C)C)c3C)o2)c(OC)c1 8156994 HPZKJJNBGRRIQS-UHFFFAOYSA-N 415.515 4.728 0 40 HJAB Cc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4C)n3)c2C)cc1Cl 8673346 GLIRFCBTWLEZON-UHFFFAOYSA-N 424.917 4.617 0 40 HJAB CC[C@@H](C)c1ccc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)cc1 8719099 GMDWSPCAXLVAFK-CRICUBBOSA-N 404.510 4.557 0 40 HJAB COC(=O)c1sccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 8782229 AZRKMUAILHEWRW-UHFFFAOYSA-N 423.899 4.781 0 40 HJAB O=C(CSc1nnc(NC(=O)c2ccc3ccccc3c2)s1)Nc1ccccc1 8792976 YOEWTLQSVZNOJQ-UHFFFAOYSA-N 420.519 4.674 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1 8810361 XTGPZVAESVHOKV-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB O=S(=O)(Nc1ccccc1-c1nc2ccccc2s1)c1ccc2c(c1)OCCO2 9548739 GBIAARLOGZJWKV-UHFFFAOYSA-N 424.503 4.535 0 40 HJAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)c2ccccc2)c1 10253573 ARNQVYIGBXEXGM-UHFFFAOYSA-N 421.518 4.660 0 40 HJAB CCc1ccc(OCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 11667269 NGBBWYMOJPAVKZ-KRWDZBQOSA-N 403.482 4.762 0 40 HJAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cccc(Cl)c1 12414314 TZOODUIBSRYWAQ-UHFFFAOYSA-N 421.927 4.964 0 40 HJAB CC[C@@H](NC(=O)/C=C/c1c(C)nn2c(C(F)(F)F)ccnc12)c1ccc(C)cc1 12789974 IDWAPGWXMKZZBN-OAGJVSPASA-N 402.420 4.646 0 40 HJAB CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 12790869 DODLKZWHLRGENL-QFIPXVFZSA-N 408.498 4.756 0 40 HJAB COC(=O)c1ccc(OCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)c(OC)c1 12811537 XQAYVRBIXROLNN-DEOSSOPVSA-N 424.424 4.808 0 40 HJAB COc1ccc(CCC(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1 12849107 ONRLVZHSPWEECW-UHFFFAOYSA-N 424.932 4.905 0 40 HJAB Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](C)CCc4ccco4)c(C)c3cc2c1C 12896713 FAIAAQUVIRLSKU-CYBMUJFWSA-N 407.466 4.737 0 40 HJAB biogenic CC(=O)N(c1nc(CSc2nnc3n2CCCCC3)cs1)c1ccccc1F 12923650 GHWGNZNOAZGJCD-UHFFFAOYSA-N 417.535 4.577 0 40 HJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CC1=O 14095555 KVRVWBGHGWYAKB-KRWDZBQOSA-N 411.933 4.885 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@H](C)c3ccccc3)cc2)cc1C 15570627 FBGDRJIHLYHBTN-LJQANCHMSA-N 422.550 4.937 0 40 HJAB CCCN(Cc1nnc(-c2cccs2)o1)S(=O)(=O)c1c(C)c(C)cc(C)c1C 16087927 VQYXLJZDOXVVIW-UHFFFAOYSA-N 419.572 4.633 0 40 HJAB CCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(Br)s2)cc1OC 18107425 FMGRXFHWHRFERW-UHFFFAOYSA-N 418.740 4.844 0 40 HJAB Cc1cc(-c2c[nH]nc2[C@H]2CCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)on1 19121004 IXADHCFYFKJJQP-MRXNPFEDSA-N 405.285 4.586 0 40 HJAB O=C(COc1ccccc1F)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19350190 ADCQNWBDZZAOQS-ZDUSSCGKSA-N 421.394 4.506 0 40 HJAB CCOC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1Cl 20036342 UNKXRJPBPJFJDO-UHFFFAOYSA-N 402.661 4.841 0 40 HJAB O[C@H](CNCc1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1 20476832 YFTPXPNFLMJAHQ-OAQYLSRUSA-N 412.327 4.851 0 40 HJAB CC(C)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2cccc(Cl)c2)c2ccccc21 20745769 JCOACCMXLVTLKN-HSZRJFAPSA-N 420.900 4.806 0 40 HJAB CCn1cc(C(=O)NCc2ccccc2Cl)c(=O)c2cc(C(F)(F)F)ccc21 22236674 LEZLNQZVFWYAPQ-UHFFFAOYSA-N 408.807 4.624 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 22532518 DPRBQSLPQOOCDZ-IBGZPJMESA-N 422.550 4.904 0 40 HJAB O=C(NCc1ccc(Cl)cc1)N1CCC(c2nnc(-c3ccco3)s2)CC1 23141010 JIDNFZXRJJYDSN-UHFFFAOYSA-N 402.907 4.541 0 40 HJAB COc1ccccc1[C@@H](C)N(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 25109493 PPASLLQPRUKEIV-OAHLLOKOSA-N 421.463 4.545 0 40 HJAB CCCOc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Br 28252040 VHDBVNZIHJWBHF-UHFFFAOYSA-N 404.713 4.692 0 40 HJAB Cn1c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc(Cl)c1Cl 30586030 SEHKABOLBTZUBH-UHFFFAOYSA-N 404.301 4.569 0 40 HJAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)C1 30871782 FNRDRWJYHHWXPD-VXKWHMMOSA-N 419.613 4.737 0 40 HJAB CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(C)c(C)c2)c2cccc(Cl)c21 32104717 ZPNQVHZKUPOFOE-QHCPKHFHSA-N 420.900 4.787 0 40 HJAB COc1ccc(Cc2nc(-c3cccc(NC(=O)c4cccc(F)c4)c3)no2)cc1 32647484 ABMJCQWHCLQFBV-UHFFFAOYSA-N 403.413 4.727 0 40 HJAB CCCCn1c(SCc2nnc(-c3ccc(Br)o3)o2)nc(C)c1C 32895006 LKEOPKQLRYNICW-UHFFFAOYSA-N 411.325 4.998 0 40 HJAB COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccc(C)cc3)n2)c1 33327252 AXTGBXCLYACVKZ-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 33741464 JPOUYTPREATTSC-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccc(Br)cc2)S1 35043395 DEYCZWSWZFEFDW-OVCLIPMQSA-N 417.284 4.538 0 40 HJAB COc1cc2cc3c(N)c(C(=O)Nc4cccc(C(C)=O)c4)sc3nc2cc1OC 35288907 FTIDJTWSAOPTOQ-UHFFFAOYSA-N 421.478 4.504 0 40 HJAB COc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3C)c1OC 36616980 QPYCAFYNZLCPKS-UHFFFAOYSA-N 416.481 4.522 0 40 HJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(I)cc2C)c1 38754982 ZUJOBNDCXNBXSM-HNNXBMFYSA-N 423.294 4.931 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1 40127992 VTJMKJUHHGTEKE-UHFFFAOYSA-N 407.518 4.829 0 40 HJAB Cn1cccc1[C@H]1CCCCCN1C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 57817864 OQDQCRIFWFKRHQ-LJQANCHMSA-N 402.922 4.526 0 40 HJAB COC(=O)[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1oc2ccc(Cl)cc2c1C 58313872 ZMPZVHYZCPOUEZ-QGZVFWFLSA-N 407.800 4.659 0 40 HJAB CN(Cc1coc(-c2ccc(F)cc2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 58393586 CXNOADGZESBRKN-RBUKOAKNSA-N 407.272 4.878 0 40 HJAB O=C(NCc1ccccc1OC1CCCC1)c1cnc2c(cnn2C2CCCC2)c1 70037422 GQTCFMPFJNOQGB-UHFFFAOYSA-N 404.514 4.798 0 40 HJAB CCOc1cc(C(=O)OC)cc(NC(=S)Nc2ccc(C)c(F)c2)c1OCC 71761689 JKYWMGBPRIYFRN-UHFFFAOYSA-N 406.479 4.527 0 40 HJAB Nc1nc(-c2cccc(Br)c2)cc(-c2cccc(Br)c2)n1 71978059 QPEVBKPIUJQIAS-UHFFFAOYSA-N 405.093 4.918 0 40 HJAB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)c(Cl)c2)cc1Cl 72329332 OETHCKBCJCCGRF-UHFFFAOYSA-N 408.260 4.851 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H](c3cccc(Cc4ccccc4)n3)C2)cc1 72349567 ZBGXIOSWKDTDCQ-QFIPXVFZSA-N 400.522 4.630 0 40 HJAB CC(=O)NCc1cnc([C@H]2CCCN2CCCc2ccccc2)cc1C(F)(F)F 72356138 BNDXCMNTFQPYKJ-OAQYLSRUSA-N 405.464 4.506 0 40 HJAB COc1cccc(CN2CC=CC[C@@H](C3CCN(CCc4ccccc4)CC3)C2=O)c1 72371056 FGBDFEIETZYPPX-SANMLTNESA-N 418.581 4.555 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1c[nH]c2ccc(Cl)cc12 72404596 JROJLCIJBVOKDK-UHFFFAOYSA-N 406.917 4.525 0 40 HJAB Nc1c(Br)cc(Br)cc1-c1nc2cc(Cl)cnc2o1 78406841 QJIWLPQPIDQHAC-UHFFFAOYSA-N 403.461 4.650 0 40 HJAB CN(Cc1csc(-c2ccco2)n1)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 89661747 WJDWXQQFOOZMGW-SJPCQFCGSA-N 403.548 4.765 0 40 HJAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@@H](c2ccc(OC(F)(F)F)cc2)S1 95477406 WOMILLNTNHDEJJ-OAHLLOKOSA-N 413.421 4.725 0 40 HJAB O=C(Nc1ccccc1)N1C[C@@H]2CN(CC(c3ccccc3)c3ccccc3)C[C@H]2C1 96245599 MBKQVMDLCDLFBL-ZEQRLZLVSA-N 411.549 4.914 0 40 HJAB O=S(=O)(N=[S@](=O)(c1ccccc1)[C@@H](F)c1ccc(F)cc1)c1ccccc1 100259016 IHWFQFUWDRMVGN-BCHFMIIMSA-N 407.463 4.710 0 40 HJAB Cc1ccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccccc2)C=C(c2ccccc2)N3)cc1 101020047 ADKCUORTXGRMET-JOCHJYFZSA-N 407.477 4.895 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 102706092 UTTZDGLCMGGDLF-HKBOAZHASA-N 422.843 4.530 0 40 HJAB Cc1ccc(C)c([C@H](C)N[C@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)c1 103242059 BOMDGRDQPRQHME-OWAUWMPXSA-N 420.578 4.599 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)cc1 136688147 IQZBELLKHIHFDQ-DJKXOVBDSA-N 408.885 4.602 0 40 HJAB CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 219684530 GTDMFAJFSZGHJX-MRXNPFEDSA-N 420.347 4.753 0 40 HJAB CCc1cccc(CC)c1NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 222570048 GNIYEKBTJHGRGL-UHFFFAOYSA-N 416.587 4.613 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 222982699 PHFKAPISPWWXGB-RTWAWAEBSA-N 421.522 4.812 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1ccc(OC)c(OC)c1 223030659 RQCYCPHSDAEQRK-IBGZPJMESA-N 405.922 4.572 0 40 HJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 223722512 FOZJBMYCPAVCBL-KRWDZBQOSA-N 415.540 4.635 0 40 HJAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1 224167145 ZYXFQUSVUWAOIX-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)cc1Cl 224947762 GUJHJCZKORRSBY-QZTJIDSGSA-N 401.944 4.982 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(OC)c(Cl)c1)CC(C)(C)O2 225682194 QNLOZVJDUVELQU-MRXNPFEDSA-N 406.935 4.946 0 40 HJAB O=C(c1ccnc(-c2cncnc2)c1)N1CCC[C@H](Cc2cccc3ccncc23)CC1 257261573 LHXRFAZAGYRJAS-IBGZPJMESA-N 423.520 4.572 0 40 HJAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CN(C(=O)c3ccccc3)CCO2)n1 257331742 XUBMHGCAFXQAEL-HSZRJFAPSA-N 406.913 4.848 0 40 HJAB CCCCc1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 408677178 ATYGQMQGXNKNBE-UHFFFAOYSA-N 422.978 4.868 0 40 HJAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1OC(=O)c1ccccc1 409191751 MDWKVNLUZARPHR-RGEXLXHISA-N 403.821 4.904 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN(c3ncc(C)s3)CC2)c1 532704549 UFXDBWZMZZOIDI-QFIPXVFZSA-N 420.582 4.570 0 40 HJAB CN1CCCCCN(C(=O)c2ccccc2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643583002 YOJBSECCIMXMIB-VWNXMTODSA-N 420.553 4.775 0 40 HJAB C[C@H]1CN(c2ccc(NC(=O)NCc3ccc(OC4CCCC4)cc3)cc2)C[C@@H](C)O1 1673879846 UTEZZROJXAVGAH-KDURUIRLSA-N 423.557 4.943 0 40 HJAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2cccc(Cl)c2)nn1 1776009546 HTTZRFOPGULDAU-DFNIBXOVSA-N 400.954 4.556 0 40 HJAB O=C(CSc1nnc2sc3ccccc3n12)c1ccc(Br)cc1 707068 OPFGYFUEJQNYEQ-UHFFFAOYSA-N 404.314 4.682 0 40 HJAB CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(Br)c(OC)cc12 727209 MXSONMRSYFBZIP-UHFFFAOYSA-N 402.288 4.946 0 40 HJAB COc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 786664 VBBGXEAZNVLLFU-DEOSSOPVSA-N 418.518 4.722 0 40 HJAB CC(C)CNC(=O)c1cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2oc1=O 1810907 HHCHREMWHBFEGS-UHFFFAOYSA-N 421.493 4.696 0 40 HJAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2F)o1 2443149 WQOZRGUHWWFCNL-AWEZNQCLSA-N 413.540 4.820 0 40 HJAB O=C(COc1ncnc2scc(-c3ccccc3)c12)N1CCCc2ccccc21 2639833 QFRYXJMHCYNIOR-UHFFFAOYSA-N 401.491 4.717 0 40 HJAB CN(C)[C@@H](Cc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)C(=O)c1ccccc1 3282630 DVTRUXYSKRGOTE-DHLKQENFSA-N 405.469 4.789 0 40 HJAB CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2c(F)cccc2F)c1CC 3362167 UUCMVEKUWBRIRA-UHFFFAOYSA-N 412.436 4.823 0 40 HJAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N[C@H]1CCCc2ccccc21 3519261 BDDMLTLAROQXRE-IBGZPJMESA-N 404.495 4.504 0 40 HJAB O=c1sc2ccccc2n1Cc1nnc(SC2CCCC2)n1-c1ccccc1 4062242 QWCHINHEYCICLA-UHFFFAOYSA-N 408.552 4.727 0 40 HJAB O=C(Nc1nc2c(s1)CCCC2)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 4248115 YKIQVKFSDXTAAR-IBGZPJMESA-N 404.491 4.728 0 40 HJAB COc1ccc(-c2cn3c(C)c(C(=O)N4CCc5ccccc5C4)sc3n2)cc1 4930961 RDLYKUKZVMAHAX-UHFFFAOYSA-N 403.507 4.578 0 40 HJAB O=C(COc1ccccc1)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1 5265188 XKZWYUPDDLUBEK-UHFFFAOYSA-N 409.898 4.957 0 40 HJAB CCN(CC)CCn1nc(/C=C/c2ccc(SC)cc2)nc1-c1ccccc1O 5274868 VDMHXRQHEMATHF-NTCAYCPXSA-N 408.571 4.885 0 40 HJAB Cc1ccc(OCc2nc3ccccc3n2C[C@@H](O)COc2ccccc2C)cc1 5588930 UGJRGTAAXUJQFN-HXUWFJFHSA-N 402.494 4.672 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Sc4nncn4C)cc3)sc2c1 6063434 HFEZWROAPQDODK-ZDUSSCGKSA-N 409.540 4.520 0 40 HJAB CCCOc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 6073297 LGECLPZRJKGRQL-IBGZPJMESA-N 401.532 4.895 0 40 HJAB Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)CSc3ncn[nH]3)c3ccccc32)cc1 6427007 BPRYWGJGWPFEMZ-QHCPKHFHSA-N 406.555 4.727 0 40 HJAB Cc1c(C)c2ccc(OCC(=O)Nc3ccc(N4CCC(C)CC4)cc3)cc2oc1=O 6673166 ZXQFTUIZMPZEKF-UHFFFAOYSA-N 420.509 4.664 0 40 HJAB CCOC(=O)c1oc2ccccc2c1CSc1nnc(Cc2ccccc2)n1C 6784368 OQQASIBLQBOPDU-UHFFFAOYSA-N 407.495 4.621 0 40 HJAB CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)S2 6812239 QKDJANPJJILPFJ-SFTDATJTSA-N 421.570 4.554 0 40 HJAB CC1CCN(C(=O)[C@H](C)OC(=O)c2oc3ccccc3c2COc2ccccc2)CC1 7777920 IWANXZSWQQLGNW-SFHVURJKSA-N 421.493 4.816 0 40 HJAB CCc1nnc(NC(=O)CCc2c(-c3ccc(OC)cc3)[nH]c3ccccc23)s1 8157226 JYKGZJFMNNMHCB-UHFFFAOYSA-N 406.511 4.829 0 40 HJAB CN(Cc1ccccc1N1CCCCC1)C(=O)/C=C/c1cnn(Cc2ccccc2)c1 8193338 RKMPELWHHNCGRD-CCEZHUSRSA-N 414.553 4.594 0 40 HJAB COc1ccc2[nH]cc(CCNC(=O)c3ccc4nc(-n5cccc5)sc4c3)c2c1 9485116 VMOHBSOLLDORBM-UHFFFAOYSA-N 416.506 4.549 0 40 HJAB O=C(CSc1nc2ccccc2s1)OCc1cc(=O)oc2cc3c(cc12)CCC3 9582833 ISJCTAXHZDSECM-UHFFFAOYSA-N 423.515 4.727 0 40 HJAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(NC(=O)c2ccco2)cc1 11211436 MQKVFVDGRBYSOK-UHFFFAOYSA-N 402.450 4.622 0 40 HJAB CN(C(=O)c1ccccc1NC(=O)COc1ccccc1Cl)C1CCCCC1 12137123 QTZSCFQYXADPHU-UHFFFAOYSA-N 400.906 4.762 0 40 HJAB CC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(-c3ccccc3)cc2)C1 12365804 IWKZSDWOUQINCP-PKTZIBPZSA-N 405.567 4.900 0 40 HJAB COc1cc(C(=O)CCNc2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 12418493 PESMRYIGNUOATF-UHFFFAOYSA-N 421.493 4.976 0 40 HJAB biogenic,in-vitro Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 12754467 PZDWPWUXEBWHBB-UHFFFAOYSA-N 405.395 4.919 0 40 HJAB C[C@@H](Sc1nnc(/C=C/c2ccc(F)cc2)[nH]1)C(=O)Nc1ccc(F)c(F)c1F 12823926 OMMCMRRSKBUPEY-WXLQGSQKSA-N 422.407 4.651 0 40 HJAB Cc1ccc(-c2noc(Cn3cnc4scc(-c5ccc(F)cc5)c4c3=O)n2)cc1 12992131 VPRMACKCGKRKGQ-UHFFFAOYSA-N 418.453 4.671 0 40 HJAB COC(=O)c1ccc2c(O)nc(CN(Cc3ccc(F)cc3)C3CCCCC3)nc2c1 13011251 FZDYGEJHBJOOEZ-UHFFFAOYSA-N 423.488 4.596 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1cc2n(n1)[C@H](C(F)(F)F)[C@@H]1CCCC[C@H]1N2 13616272 XRRSYUJZJFMCFN-SIVJFFJCSA-N 400.351 4.501 0 40 HJAB COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 13925039 RFVXTFRJABBWBV-ZHZULCJRSA-N 413.429 4.567 0 40 HJAB COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1cccc(C)c1 13925042 PVAGEWPBTYMFHW-ZHZULCJRSA-N 413.429 4.567 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 13999644 RDKJRKJWMWRBTG-UMADGWCESA-N 400.478 4.838 0 40 HJAB COc1ccccc1N1C(=O)CN(c2cccc(C)c2C)C(=O)[C@H]1c1ccc(C)cc1 15412852 YDZXJXDAJPDJBC-RUZDIDTESA-N 414.505 4.742 0 40 HJAB O=C(Nc1ccc(Cl)cc1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 15882830 JBYNMHKGBKTNNZ-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H](C(F)(F)F)C1 16591227 UTSWMUVKQRJNRT-SJLPKXTDSA-N 406.448 4.867 0 40 HJAB O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1ccco1 17089708 GJPUUUVKTMWYNY-UHFFFAOYSA-N 413.842 4.574 0 40 HJAB CCCCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 18106115 KRHPZNUWRHKQCS-UHFFFAOYSA-N 411.575 4.557 0 40 HJAB O=C1CCCN1c1cccc(NC(=S)NCCSc2ccc(Cl)cc2)c1 18168028 JBMCRPJTRXQKSM-UHFFFAOYSA-N 405.976 4.546 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@@H]3CC=CCC3)CC1)N2 19084098 KXZUBYVOBCZYEX-FGTMMUONSA-N 420.548 4.766 0 40 HJAB Cc1cccc2c(-c3ccncc3)c([C@H]3CCCN(C(=O)CCn4cccn4)C3)[nH]c12 19236524 DJTVVFPLECOTHS-FQEVSTJZSA-N 413.525 4.531 0 40 HJAB Cn1cc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)n1 19290079 JEGTYAQTQDHGRI-IBGZPJMESA-N 414.431 4.868 0 40 HJAB Cc1ccc(CCC(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)c(C)s2)cc1 19820131 PRLPWMOCDHLQKG-CQSZACIVSA-N 421.522 4.718 0 40 HJAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 20458080 WEIDQHGGMMIURN-INIZCTEOSA-N 408.885 4.676 0 40 HJAB CCOc1cc(NC(=O)c2cccc(C)n2)c(OCC)cc1NC(=O)c1ccccc1 24621866 GIHIHOMVBNVTDR-UHFFFAOYSA-N 419.481 4.692 0 40 HJAB Cn1c(=O)n(C)c2cc(SC3CCCCC3)c(NC(=O)c3ccc(F)cc3)cc21 28049216 LLDDUTNCDZQZIW-UHFFFAOYSA-N 413.518 4.693 0 40 HJAB Cc1ccccc1[C@H](Sc1nnc2n(C)c(=O)c3ccccc3n12)c1ccccc1 28189965 FPWDIIJLJXCNEN-OAQYLSRUSA-N 412.518 4.771 0 40 HJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 30871680 OUXSBTVCYLQTJB-MRXNPFEDSA-N 401.528 4.826 0 40 HJAB COc1ccccc1OCC(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623017 TUKYULNFCMXECL-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)c(Cl)c2)cc(OC)c1O 36359868 HBMNPORJVIAARC-GFCCVEGCSA-N 417.824 4.511 0 40 HJAB O=C(COC1CCCC1)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 44409749 QRVNQONQYFISTP-FQEVSTJZSA-N 417.431 4.747 0 40 HJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44937214 XSQROISHEKNCPW-XUZZJYLKSA-N 412.549 4.950 0 40 HJAB Cc1ccc2cc(C(=O)NCc3ccc(N4CCc5ccccc5C4)nc3)c(C)nc2c1 48300373 QHJKRHYOJCCAGO-UHFFFAOYSA-N 422.532 4.739 0 40 HJAB O=C(c1sccc1Br)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 48333600 FLDOGRGVELRWKM-AWEZNQCLSA-N 408.317 4.649 0 40 HJAB O=C1CN(C(=S)NCc2ccccc2)[C@@H](c2ccccc2)c2cc(Cl)ccc2N1 58196694 HMEMKOUCCFKESH-QFIPXVFZSA-N 421.953 4.758 0 40 HJAB CCc1ccccc1NC(=O)CSc1ncnc2nc(-c3ccc(C)cc3)ncc12 62006852 FOVMRJNBOYAFLQ-UHFFFAOYSA-N 415.522 4.688 0 40 HJAB C[C@H]([C@H](O)c1ccc(OCc2ccccc2)cc1)N1CCC(O)(c2ccccc2)CC1 65336767 KNKANBIFNHJEQO-RLWLMLJZSA-N 417.549 4.671 0 40 HJAB O=C(CSc1nccn2nc(-c3cccs3)cc12)Nc1cc(F)ccc1Cl 67290223 ROUSJHIYJKDYDZ-UHFFFAOYSA-N 418.906 4.981 0 40 HJAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)c(C)c1 67292803 RCXQQCHUTJKYNX-FRXIXPCJSA-N 410.901 4.844 0 40 HJAB O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 72330458 UHYBRQGQKUFNGG-GJZUVCINSA-N 417.528 4.533 0 40 HJAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)n1 72354214 CZLWLTUXYUBLAQ-JOCHJYFZSA-N 403.526 4.534 0 40 HJAB O=C(Nc1ccc(Cl)cc1)c1cc2c(s1)CCN2C(=O)c1ccc(F)cc1 96146807 WCUMDSZPKZXJDU-UHFFFAOYSA-N 400.862 4.996 0 40 HJAB CC(=O)c1ccc(NC(=O)/C(=C/c2cccnc2Cl)C(=O)Nc2ccccc2)cc1 215739466 GUHPCQKKUIXYKK-XSFVSMFZSA-N 419.868 4.598 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CN3CCC[C@@H](C)C3)cc1)CC(C)(C)O2 219238672 RLBRFBLRJFYDAH-JPYJTQIMSA-N 422.569 4.959 0 40 HJAB CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220734190 NOVHCXICTMFMMK-FQEVSTJZSA-N 422.978 4.955 0 40 HJAB CC(C)c1ccc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 223122526 ORMGWTHWCCCDLP-HXUWFJFHSA-N 424.585 4.563 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCC1 223777370 LAQSRFRUAINUBE-SFHVURJKSA-N 412.961 4.667 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 224282844 HNVDTZMEVVRHTB-XMMPIXPASA-N 406.570 4.712 0 40 HJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2sccc2C)c(OC)c1 224794600 JGBLSOYYXRVSQG-MOPGFXCFSA-N 411.552 4.646 0 40 HJAB COc1cccnc1NC(=S)NCCSCc1ccc(Cl)cc1Cl 225343483 YZIPZRTZFIGWHA-UHFFFAOYSA-N 402.372 4.617 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)N[C@@H](C)CC)cc1 225515842 ZFHXZINGHFQXCO-GBXCKJPGSA-N 424.585 4.658 0 40 HJAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)N1[C@H]2CC[C@H]1c1cncnc1C2 225672287 POUQSRCIAWPKQS-MBSDFSHPSA-N 403.457 4.629 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl 225675904 KXSZFSPJPSRUAX-MRXNPFEDSA-N 421.368 4.725 0 40 HJAB CC(=O)c1cccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 408622114 OHSMJZRBQACJIK-UHFFFAOYSA-N 404.491 4.595 0 40 HJAB O=C1CC[C@@]2(CCCN(Cc3ccc4c(c3)CCC4)CC2)N1Cc1ccc(F)cc1 585100760 VRWXQWLPYZHLJJ-AREMUKBSSA-N 406.545 4.862 0 40 HJAB CC(C)Oc1ccc([C@@H](CNc2nc(-c3cccnc3)nc3c2CCC3)N(C)C)cc1 1559203117 JEFDEWJDPWGVET-HSZRJFAPSA-N 417.557 4.529 0 40 HJAB COc1ccc(C(=O)CSc2nnc(COc3ccc(Cl)c(C)c3)o2)cc1 876091 VJOUEWIXBHYHAP-UHFFFAOYSA-N 404.875 4.594 0 40 HJAB Cc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(Cl)cc4)n12)CCC3 1021678 YYNYUJDBLVTGBY-UHFFFAOYSA-N 414.943 4.765 0 40 HJAB COC(=O)Cc1c(C)c2ccc(OCc3cccc4ccccc34)c(C)c2oc1=O 2148877 ZKDWACIDFUOACP-UHFFFAOYSA-N 402.446 4.858 0 40 HJAB biogenic CCCn1c(=O)c2ccccc2n2c(SCc3c(F)cccc3Cl)nnc12 3375626 XYEDSQXLBDEBEA-UHFFFAOYSA-N 402.882 4.539 0 40 HJAB COc1ccccc1OCCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3668667 ZFANBDQXGPVTGE-UHFFFAOYSA-N 407.310 4.542 0 40 HJAB Cc1nc2sc3c(c2c2nnc(SCC(=O)c4ccccc4)n12)CC[C@@H](C)C3 4848044 ZKYCMNLGWHQSIL-GFCCVEGCSA-N 408.552 4.747 0 40 HJAB CCCCCCOC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12 5100873 MBSHXDUYRSIRQY-UHFFFAOYSA-N 418.497 4.902 0 40 HJAB Cc1ccccc1C(=O)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCCO3 5142260 AYTCLDSXCYBETA-UHFFFAOYSA-N 417.490 4.618 0 40 HJAB COc1ccc(OC)c(C(=O)CSc2nnc(Nc3ccccc3C)s2)c1 5689189 QNKGTRODHRYUDE-UHFFFAOYSA-N 401.513 4.582 0 40 HJAB O=C(COC(=O)c1ccc2ccccc2c1)Nc1ncc(C(F)(F)F)cc1Cl 5752323 ORIORABVMARWOS-UHFFFAOYSA-N 408.763 4.703 0 40 HJAB COc1ccc(C(OC[C@H](O)CN[C@@H](C)c2ccccc2)c2ccc(OC)cc2)cc1 5951009 GIIGIGNNZPCHTH-WMZHIEFXSA-N 421.537 4.522 0 40 HJAB CCCn1nc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c2ccccc2c1=O 6432032 CUVQFVVAXAFBJV-UHFFFAOYSA-N 413.477 4.638 0 40 HJAB C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(Br)cc1 6436815 AGGHXTVUXQMVKR-GFCCVEGCSA-N 408.317 4.730 0 40 HJAB COc1ccc([C@H](NC(=O)CSc2nc3ccccc3n2C)c2ccccc2)cc1 6972454 OJOUPKPAUHQHIQ-HSZRJFAPSA-N 417.534 4.580 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@H](C)Oc1ccccc1 8090415 QYXNGRKVYARSQE-KRWDZBQOSA-N 410.543 4.786 0 40 HJAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)cc1 8657318 TTWQCNGTGSFJDT-SFHVURJKSA-N 415.468 4.753 0 40 HJAB O=C(OCc1cccc(C(F)(F)F)c1)c1nn(-c2ccccc2)c(=O)c2ccccc12 8668592 PPOVGSOGMQNZSX-UHFFFAOYSA-N 424.378 4.762 0 40 HJAB CCc1ccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 9250756 XNSBJXRQWVZUOP-QFIPXVFZSA-N 400.950 4.625 0 40 HJAB Cc1cc(C(=O)Nc2cccc(OC(C)C)c2)ccc1NS(=O)(=O)c1ccccc1 10314577 ANGXPCRPGJWTPH-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB Cn1ncc(Cl)c1C(=O)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)no1 12119696 YAYFQXHMUBJGQN-QGZVFWFLSA-N 402.857 4.625 0 40 HJAB COc1ccc(CN(Cc2ccc(C)cc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 12366517 XCCNPGGMLRGQHZ-RCZVLFRGSA-N 406.526 4.560 0 40 HJAB Cc1ccc(-n2cnnc2S[C@H](C(=O)N2CCCC2)c2ccccc2)cc1Cl 12524987 WIXNXSPNQOWUDZ-IBGZPJMESA-N 412.946 4.685 0 40 HJAB O=C(Nc1ccc(N2CCCCCC2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 12543498 MHXFDSRLLNJAJD-UHFFFAOYSA-N 420.557 4.950 0 40 HJAB O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCN(c2ccc(O)cc2)CC1 12606544 PAWWCTBTEKZMQD-UHFFFAOYSA-N 416.399 4.633 0 40 HJAB COc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1Br 12614944 OFXLKMJFHHECNP-UHFFFAOYSA-N 417.328 4.820 0 40 HJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](N5CCCCC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 12660436 QZQARKHEFRUGSK-BXWCCMRUSA-N 415.618 4.994 0 40 HJAB Cc1nc(-c2ccc(CCNC(=O)c3ccccc3Br)cc2)cs1 12894525 WPGAFLSOALDRMM-UHFFFAOYSA-N 401.329 4.854 0 40 HJAB Cc1cccc(NC(=O)CN(C)C(=O)c2cc3c(s2)-c2ccccc2CC3)c1C 12989911 OKFDGFCDSYZGPP-UHFFFAOYSA-N 404.535 4.841 0 40 HJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 13994956 QULPBUHKXOTZMM-JOCHJYFZSA-N 402.494 4.721 0 40 HJAB Cc1cc2oc(=O)cc(COC(=O)c3cccnc3N3CCCC3)c2cc1C(C)C 14070586 FCQAKGWTPLRJIG-UHFFFAOYSA-N 406.482 4.577 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(NS(=O)(=O)c2ccccc2)cc1 14155458 WZHLFACHKYDVMG-UHFFFAOYSA-N 420.412 4.759 0 40 HJAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)c(C)c1 16994347 PCRZCFSFJLLYTK-UHFFFAOYSA-N 424.522 4.599 0 40 HJAB Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)c1 17091073 CUHBBDVKAQSBFC-UHFFFAOYSA-N 417.490 4.944 0 40 HJAB CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C[C@@H](C)c2ccccc2)C1 19456045 KVVHGIDFPXOQHE-ZBLYBZFDSA-N 413.565 4.533 0 40 HJAB Cc1ccc(C(=O)c2sc3nc4c(cc3c2N)CN(Cc2ccccc2)CC4)cc1 20348166 AZHVIITUYFAJLZ-UHFFFAOYSA-N 413.546 4.976 0 40 HJAB Cc1ccc(CCCNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)c1 21938101 BZZHMAUPFVLCQU-UHFFFAOYSA-N 419.491 4.683 0 40 HJAB CC(=O)c1c(C)cc(C)c(CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c1C 24749672 HXPHIEPPSVZFAV-DEOSSOPVSA-N 404.466 4.528 0 40 HJAB CCN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(OC)c(OC)c1 25936025 JIHMRFWBPBKOBR-UHFFFAOYSA-N 411.329 4.861 0 40 HJAB C[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1nc(C(C)(C)C)no1 27059908 OZOLMCYXYCOPAX-HNNXBMFYSA-N 417.469 4.533 0 40 HJAB O=C1CN(C(=O)CCc2ccccc2)[C@H](c2ccccc2)c2ccc(Cl)cc2N1 28048019 YBULPTOCTFRMLF-XMMPIXPASA-N 404.897 4.843 0 40 HJAB CCc1ccc2[nH]c(CSCC(=O)Nc3cccc(Cl)c3C)cc(=O)c2c1 33064299 FUSYVVRZZFHVRF-UHFFFAOYSA-N 400.931 4.924 0 40 HJAB COc1ccc2cc(-c3nc4cc(C)ccn4c3NCc3ccccc3)c(=O)[nH]c2c1 35289113 PKHYTGAWCACYPV-UHFFFAOYSA-N 410.477 4.772 0 40 HJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1 39981688 OXQJPMMCQJKTOU-LLVKDONJSA-N 418.852 4.951 0 40 HJAB CC(C)[C@H](NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1cccs1 40145170 YYTBRXHQBSTPIX-SFHVURJKSA-N 420.581 4.738 0 40 HJAB C/C=C/c1ccc(OS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)c(OC)c1 58407073 AJSRTJJILYCNBB-ONEGZZNKSA-N 405.472 4.759 0 40 HJAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3c(Cl)nc4ccccn34)cc2)n1 58430562 GDTNCEAQJPJFHJ-UHFFFAOYSA-N 409.902 4.798 0 40 HJAB COc1ccc(Cn2c(SCc3ccc(F)cc3)nc3ccccc3c2=O)cc1 67258834 NHCHTVXXODXMCC-UHFFFAOYSA-N 406.482 4.885 0 40 HJAB Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1 96183786 XYZUUTPEVTYKMT-HHHXNRCGSA-N 416.540 4.919 0 40 HJAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)c3ccoc3C)CC2)c2ccccc21 96242327 FMMCXVPAIZEACZ-LJQANCHMSA-N 408.542 4.508 0 40 HJAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCc5cccc(OC)c5)(C4)C2)C3)cc1 100785417 KLJBSDSFPLCKJM-WSQGFLFRSA-N 405.538 4.858 0 40 HJAB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)c1ccc(Br)cc1 101158425 BTNOQWXLQQTZFM-SSDVNMTOSA-N 422.710 4.545 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 102621850 JAPBZTKLUXYXHK-UHFFFAOYSA-N 404.853 4.910 0 40 HJAB COCCn1c(C)cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c1C 106701526 DGLYAAUEIZLIQO-WQRHYEAKSA-N 404.919 4.641 0 40 HJAB CCOc1ccccc1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O 205668124 ULVIDBFIJTXZCH-QGMBQPNBSA-N 417.870 4.704 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 222553997 KNCZRLYODGVXGF-NRFANRHFSA-N 400.950 4.523 0 40 HJAB CCCOc1cc2c(cc1[C@@H]1[C@H](c3ccccn3)N=C3SC[C@@H](CC)N31)OCO2 222651052 XPSDZZPDCXJWHL-PUCZYUMASA-N 411.527 4.579 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl 223081971 ZTGRFQZFSMGZHW-JKSUJKDBSA-N 421.368 4.868 0 40 HJAB Fc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 223356186 DERUOKWZBMAKRP-VXKWHMMOSA-N 418.497 4.777 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C(C)C 223532322 WQVZSPLDMJPPLA-VXKWHMMOSA-N 405.571 4.649 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@@H](C)c3ccccc3C)ccc2C)cc1 224047294 JHHNUCQGRIXKEY-IBGZPJMESA-N 422.550 4.904 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1ccccc1OC 224578009 CKXQIHKLWHMWRA-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 225170619 VXQRYAGLZGJQNF-MSOLQXFVSA-N 400.950 4.523 0 40 HJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)cc2)n1 225181615 KLJFUHCOKNJQLI-UHFFFAOYSA-N 420.538 4.758 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 225253398 OLPXAGBVBKNIRD-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 225525650 JCYDHWHXUUNHSQ-AVRDEDQJSA-N 414.977 4.913 0 40 HJAB CC[C@@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(OC)c(C)c1 225759840 ATDADHATDZLCRK-LJQANCHMSA-N 405.560 4.874 0 40 HJAB CC[C@H](NS(=O)(=O)c1cc(Br)ccc1OC)c1ccc(C)c(C)c1 225834029 SDGJBQQNGGSRCM-INIZCTEOSA-N 412.349 4.504 0 40 HJAB Cc1ccn(CCNC(=O)c2sc3ccccc3c2[C@H]2CC[C@H](CN(C)C)CC2)n1 257240446 HTNOHXQFHLFCSM-WGSAOQKQSA-N 424.614 4.672 0 40 HJAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H](N2CCc3ccccc3C2)C1 408608020 LTVTTZADOYHOPS-SANMLTNESA-N 410.561 4.868 0 40 HJAB Cc1cccc(C)c1OCC(=O)Nc1ccc2sc(C(=O)N3CCCC3)cc2c1 408713022 GVJUSQBLQPHAMV-UHFFFAOYSA-N 408.523 4.772 0 40 HJAB COc1ccc(C2=N/C(=C/c3ccccc3OC(=O)c3cccc(C)c3)C(=O)O2)cc1 408839382 RKWVDQWZDXYLGP-RCCKNPSSSA-N 413.429 4.567 0 40 HJAB O=C(Nc1ccccc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408972963 INWODDMMOHGSSK-DEOSSOPVSA-N 402.519 4.756 0 40 HJAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC[C@@H](C)c3ccc(F)cc3)c12 512818634 WMGQBAVVHXFSMY-OAHLLOKOSA-N 402.473 4.616 0 40 HJAB CN[C@@H](C)[C@H]1[C@H](O)C[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@]45C[C@@]35CC[C@]12C 584567035 GMNAPBAUIVITMI-RCQJAMHYSA-N 402.667 4.592 0 40 HJAB C[C@@H](NC(=O)N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccc(-c2ccccc2)cc1 592340810 YOZCCUWYNKJHTC-GCJKJVERSA-N 407.558 4.751 0 40 HJAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1c(-c2ccccc2)nc2ncccn12 606422324 NNFNPSILGQTUIO-UKRRQHHQSA-N 401.297 4.926 0 40 HJAB O=C(CN1CCCCCC1)Nc1c2c(nc3ccccc13)N(c1ccccc1)CC2 823167 KPBCAKXUNABWSJ-UHFFFAOYSA-N 400.526 4.744 0 40 HJAB O=C(NCc1cccs1)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F 866040 BMVFJJVQORPHOM-HOTGVXAUSA-N 424.423 4.674 0 40 HJAB CCOC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccccc3C)cc12 944068 FYNXXXFLLNIRPU-UHFFFAOYSA-N 407.875 4.681 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)cc1 2293185 CMWOMBYIKSPTNW-UHFFFAOYSA-N 417.490 4.944 0 40 HJAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ncc(Cl)cc1Cl 3255910 YBYIGOBTXWDILA-UHFFFAOYSA-N 411.339 4.613 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)Nc1ccccc1 3299823 ZJUNUBSITDZXAD-UHFFFAOYSA-N 404.470 4.804 0 40 HJAB O=C(/C=C/c1cnc2ccccc2n1)OCC(=O)N(C1CCCCC1)C1CCCCC1 3381857 NMLHRFYZGKVEHV-FOCLMDBBSA-N 421.541 4.680 0 40 HJAB Cc1nc(SCC(=O)Nc2ccc(Br)cc2)n(-c2ccccc2)c1C 3625186 HCDSCZYGXVKJHE-UHFFFAOYSA-N 416.344 4.982 0 40 HJAB CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(Br)cc3)cc12 4247150 VRVMPHCLUATZBI-UHFFFAOYSA-N 403.228 4.900 0 40 HJAB biogenic O=C(CCCCCN1C(=O)c2ccccc2C1=O)N[C@H](c1ccccc1)C1CCCC1 4537093 QKTDUQAIACSNBL-XMMPIXPASA-N 418.537 4.891 0 40 HJAB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 4555131 JZFURZPKPJDRHN-JOCHJYFZSA-N 411.910 4.717 0 40 HJAB COC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)cc1 4930932 ZSKJSVCYVSQMHT-UHFFFAOYSA-N 409.442 4.549 0 40 HJAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 5114202 DOIQXQWMLDMQRA-AWEZNQCLSA-N 419.433 4.787 0 40 HJAB CSCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1nnc2ccccn12 5425532 ALSOLNIRLNSDRH-HXUWFJFHSA-N 402.523 4.621 0 40 HJAB CCC(CC)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F 5638142 JQQVWOKAVKHSEB-UHFFFAOYSA-N 416.497 4.609 0 40 HJAB Cc1ccc(-c2noc(CN(C(=O)c3ccc(Br)cc3)C(C)C)n2)cc1 6736946 JGMZDGSQLSQGPT-UHFFFAOYSA-N 414.303 4.858 0 40 HJAB CCOc1cc2c(cc1/C=C1\CCn3c1nc1cc(Cl)ccc1c3=O)O[C@@H](C)C2 7699706 UBIXQRATYLOLAA-FYQHACEVSA-N 408.885 4.716 0 40 HJAB CC(=O)N(c1nc(/C=C/C(=O)N2CCc3ccccc32)cs1)c1ccccc1F 7986451 DEMSQJVWBOMULS-ZHACJKMWSA-N 407.470 4.569 0 40 HJAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccccc1-c1nc2ccccc2s1 7988690 LJHIPZFYCPDVEE-UHFFFAOYSA-N 402.475 4.916 0 40 HJAB O=C(CCc1nc2ccccc2[nH]1)N[C@H](c1ccc2c(c1)CCC2)c1cccs1 8389472 XSUXPQDNCJQJPK-XMMPIXPASA-N 401.535 4.952 0 40 HJAB COc1ccc(NC(=O)Cc2csc(SCc3ccc(F)cc3)n2)cc1OC 8854121 VNGLKFOVYSCWLZ-UHFFFAOYSA-N 418.515 4.773 0 40 HJAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)s1 8961302 JGNSHISTEWGDJU-UHFFFAOYSA-N 414.508 4.778 0 40 HJAB O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@H](c2ccc(O)cc2)N1c1ccc(F)cc1 9211540 OLNTVTPDXPETLC-VJBWXMMDSA-N 409.432 4.888 0 40 HJAB biogenic,in-vitro CCn1c(SCC(=O)Nc2c(Cl)ccc(C)c2Cl)nnc1-c1ccncc1 9494738 PHDATSNKNVSELI-UHFFFAOYSA-N 422.341 4.706 0 40 HJAB Clc1cccc(-n2ncc3c(Nc4ccc(Br)cc4)ncnc32)c1 9518707 JTHMZLFMEDZDFM-UHFFFAOYSA-N 400.667 4.975 0 40 HJAB O=C(Cc1csc(-c2cccnc2)n1)N1CCC(c2nc3ccccc3s2)CC1 9596683 BPSMSVGUNPEGQZ-UHFFFAOYSA-N 420.563 4.764 0 40 HJAB Cc1c(C(=O)OCC(=O)Nc2ccccc2Cl)oc2ccc(Br)cc12 9664839 QXDFWKHIIRSFBG-UHFFFAOYSA-N 422.662 4.953 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CCC(CCc3ccccc3)CC2)c1 11453542 KFEVWKUJMOWPTD-UHFFFAOYSA-N 420.582 4.788 0 40 HJAB Cc1cc(C)cc(OCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667257 DUOIUBWFFHOAQM-GOSISDBHSA-N 403.482 4.816 0 40 HJAB COc1ccc2nc(NC(=O)CCc3ncc(-c4c(F)cccc4F)o3)sc2c1 11807119 PVERSHGWXDXURU-UHFFFAOYSA-N 415.421 4.809 0 40 HJAB Cc1nc(C(C)(C)C)nc2sc(C(=O)Nc3ccccc3N3CCOCC3)c(C)c12 12588590 OCDCWMGTQCVBDM-UHFFFAOYSA-N 424.570 4.695 0 40 HJAB COc1ccc2[nH]cc(CCNC(=O)c3cc4cc(Br)ccc4o3)c2c1 12893479 MPRLSDPOILAYGX-UHFFFAOYSA-N 413.271 4.658 0 40 HJAB biogenic Cc1ccc2c(C)c(CCC(=O)Nc3ccccc3Br)c(=O)oc2c1 12979205 CSEUQAFTXPCGDW-UHFFFAOYSA-N 400.272 4.744 0 40 HJAB Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc(F)cc4C)c(=O)c23)cc1 12999962 VRCUIFJHJUWELW-UHFFFAOYSA-N 421.497 4.910 0 40 HJAB CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 13036378 NZULXNUKOTWIDD-XUZZJYLKSA-N 401.466 4.731 0 40 HJAB O=S(=O)(Cc1c(Cl)cccc1Cl)NCCSc1ccc(Cl)cc1 13679980 FPFRZOIPNJTNGD-UHFFFAOYSA-N 410.775 4.859 0 40 HJAB COc1cccc2cc(-c3nnc(SCC(=O)Nc4cccc(C)c4C)n3C)oc12 15019527 HAWBVGNPOIMROM-UHFFFAOYSA-N 422.510 4.585 0 40 HJAB O=C(CCc1csc(NC(=O)NC2CCCCC2)n1)Nc1ccc(F)c(Cl)c1 16849291 IPOOLALGSDLMDZ-UHFFFAOYSA-N 424.929 4.961 0 40 HJAB CC(C)(C)CC(=O)N1CCc2nc(-c3ccncc3)nc(Nc3ccccc3F)c2C1 19082701 YRLBIWXYZUBAJS-UHFFFAOYSA-N 419.504 4.742 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 19400523 KWMBVWIQXVVXSN-LAUBAEHRSA-N 418.368 4.868 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccccc1C(C)C 20061673 FPILVHRRIAOKKB-UHFFFAOYSA-N 414.571 4.935 0 40 HJAB CCOC(=O)C1CCN(c2c(C(=O)c3ccccc3)cnc3ccc(Cl)cc23)CC1 20380683 SHAMLFQIYXVUKG-UHFFFAOYSA-N 422.912 4.899 0 40 HJAB Cc1c(C)n(CC(C)C)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 21801482 WZCMQFBVBHHNFT-UHFFFAOYSA-N 406.515 4.785 0 40 HJAB CC(C)(CO)Nc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 23175951 NRRZVNMSACLXJP-UHFFFAOYSA-N 406.711 4.896 0 40 HJAB CCCn1c(SCc2nnnn2-c2ccccc2)nc2ccc(C(F)(F)F)cc21 24108171 XWOGTGJMWJAJCX-UHFFFAOYSA-N 418.448 4.733 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3c[nH]c4ccccc34)ccc2C)c1 24747501 KIIGKLFWYWKQSS-UHFFFAOYSA-N 419.506 4.838 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccccc1C(F)(F)F 27974765 GBZLYUQARZKOMX-NSHDSACASA-N 402.210 4.552 0 40 HJAB COc1cc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)ccc1OCc1cscn1 30617677 CPKCTGVGYVFWQQ-LBPRGKRZSA-N 415.540 4.564 0 40 HJAB COC(=O)c1c(C)[nH]c(-c2ccccc2OC)c1[C@@H]1C(=O)Nc2ccc(Cl)cc21 32071964 ZCYQMIVSFPUAJT-GOSISDBHSA-N 410.857 4.523 0 40 HJAB CSc1ccccc1NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(S)nc2c1 32901715 JLHSIXDRMSEHSW-UHFFFAOYSA-N 419.531 4.649 0 40 HJAB Cn1c(C2CCC(CNC(=O)CCC(=O)c3ccccc3)CC2)nc2ccccc21 38671706 XOOOBBHZGYCQHG-UHFFFAOYSA-N 403.526 4.626 0 40 HJAB Cc1nnc([C@H]2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)s1 38900107 WRDXTRVTWCFHTI-JTQLQIEISA-N 423.382 4.904 0 40 HJAB CSc1nnc(CCCNC(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)n1C1CCCC1 40012226 RRDBQOZCOQAIDN-OLIGMDJZSA-N 414.575 4.594 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C1CC1)[C@H](C)c1ccccc1F 40155715 UJSNRZFVKBPLMW-QGZVFWFLSA-N 406.505 4.792 0 40 HJAB CCN(Cc1ccccc1)C(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486730 LDBJYKFSBBDWGV-UHFFFAOYSA-N 420.900 4.907 0 40 HJAB O=C(CSc1cc(NCc2ccccc2Cl)ncn1)Nc1ccccc1F 57505659 ROBOXIBNXIGZQG-UHFFFAOYSA-N 402.882 4.612 0 40 HJAB CC(=O)c1c(C)cc(C)c(CNc2cccc(C(=O)N3CCSCC3)c2C)c1C 58423656 BAONUZZUGYDZES-UHFFFAOYSA-N 410.583 4.924 0 40 HJAB Cc1ccc(-c2nc(Cn3ccn4nc(-c5cccs5)cc4c3=O)c(C)o2)cc1 64775008 PYEDGAIVEJESTI-UHFFFAOYSA-N 402.479 4.545 0 40 HJAB O=C(OCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2cc[nH]c2c1 84383453 LMYIETGJDWHMEV-LJQANCHMSA-N 417.292 4.995 0 40 HJAB CC(C)[C@@H](C(=O)N[C@H]1CCc2cc(Cl)ccc21)n1cnc2cc(F)c(F)cc21 95392551 YRYZMXDXGFUZNJ-PXNSSMCTSA-N 403.860 4.969 0 40 HJAB COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cc(C)ccc3C)n2)cc1F 98211459 RCLSMHSXBNGHPY-UHFFFAOYSA-N 420.444 4.608 0 40 HJAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 102093766 GTXOYGYFQVPDTR-PZAQWVNCSA-N 409.869 4.840 0 40 HJAB Cc1cccc(CSCCNC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1 219458493 IENQWUHOQPYLJM-UHFFFAOYSA-N 418.562 4.938 0 40 HJAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1Cl 222859120 YBYFFKSNAIADES-MRXNPFEDSA-N 402.922 4.527 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 223358871 UVPVYEQQUYIATF-FQEVSTJZSA-N 421.368 4.706 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 223718850 OCRQVGZPYRYYNB-HSZRJFAPSA-N 408.586 4.611 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1NC(=O)C(C)C 224884704 JUUCUWGRXAKCEK-UHFFFAOYSA-N 412.964 4.766 0 40 HJAB CCc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 224912034 QBNRYXPKKIRXTJ-SFHVURJKSA-N 422.550 4.849 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 225090288 ZMRLWNUFXQSVOT-NHCUHLMSSA-N 424.585 4.829 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=S)NCCSCc2cccc(C)c2)c1 225338476 VOHQICMSSNXIBM-UHFFFAOYSA-N 402.585 4.700 0 40 HJAB CCCO[C@](C)(C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1)C1CC1 225673005 FXYFQBPAUBMGHC-DEOSSOPVSA-N 402.579 4.865 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)c1 225791052 SIRNOPAVWOISJY-KRWDZBQOSA-N 400.544 4.542 0 40 HJAB Cc1cccc(CN2CCCC[C@@H]2c2n[nH]cc2C(=O)N(C)Cc2ccccc2)c1 257290269 QCFDYOQIZZKYPI-HSZRJFAPSA-N 402.542 4.718 0 40 HJAB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1O 408605917 HIIFUSBZJSSOAI-UHFFFAOYSA-N 421.637 4.800 0 40 HJAB COc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)c2cccc(OC)c2)cc1 907982 AGYKWVNAUZPAGM-UHFFFAOYSA-N 415.445 4.657 0 40 HJAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc2c(c1)OCCO2)CCC3 1339918 YZBLRUZCLYRPMW-UHFFFAOYSA-N 406.507 4.534 0 40 HJAB O=C(c1c(F)cccc1F)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363523 IXYVPHFQZZKXKO-CYBMUJFWSA-N 403.816 4.688 0 40 HJAB COc1ccc([C@@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 2398503 QJBBTJIQQBXLJL-DWACAAAGSA-N 403.459 4.705 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)c1 2474923 QCRKJHFEXMXVBM-UHFFFAOYSA-N 415.902 4.542 0 40 HJAB Cc1cc(C)cc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccc(F)cc2)c1 2494101 GERLJHDKQDGPBP-HSZRJFAPSA-N 406.432 4.766 0 40 HJAB CCCCCCOC(=O)c1c(N)n(-c2cccc(O)c2)c2nc3ccccc3nc12 2596286 ASRNUQPKRQSMIV-UHFFFAOYSA-N 404.470 4.599 0 40 HJAB CCOc1ccc(-c2csc(NC(=O)COc3ccccc3)c2C(=O)OC)cc1 2889745 HODDWYPZOZZKOY-UHFFFAOYSA-N 411.479 4.618 0 40 HJAB COc1ccc2oc(C(=O)OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(C)c2c1 3332763 JDJQZJFIUUPMBN-UHFFFAOYSA-N 408.237 4.852 0 40 HJAB Cc1ccc(C(=O)[C@@H](c2ccc(C)cc2)N2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 3375841 MQXMUVPYLWHCEN-GJZUVCINSA-N 412.489 4.695 0 40 HJAB Cn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccco1 3569185 SADRVWSHAKBFIW-UHFFFAOYSA-N 402.564 4.661 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3CCC(=O)[C@@]2(C)OC(C)=O)C1 3849967 VQRXERHIFBGNDD-HKNXYDLSSA-N 418.574 4.852 0 40 HJAB COc1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)c(OC)c1 4930943 JFGYMOMULXRGHR-UHFFFAOYSA-N 411.458 4.780 0 40 HJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1cccc(C)c1C 4973339 HLZLFXHKPYPAMA-UHFFFAOYSA-N 403.438 4.533 0 40 HJAB Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccc(Cl)cc1)SCC(=O)N2 5047154 QIRBGZKVSKCRII-MAUKXSAKSA-N 405.951 4.750 0 40 HJAB Cc1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 5120116 OSHJHACGGOIYRA-UHFFFAOYSA-N 400.482 4.954 0 40 HJAB CCOC(=O)CC[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@@]21C 5223027 ZFVNCIMEWULGEX-VAYUFCLWSA-N 420.634 4.956 0 40 HJAB biogenic,in-vitro COc1ccc(CN(C)CC[C@@]2(c3ccccc3)C[C@@H](C)N(C)C[C@H]2C)cc1OC 5355795 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WODRIQAZWMRVQH-CYBMUJFWSA-N 405.429 4.837 0 40 HJAB CC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 12766783 LWSASOGZCNTCOZ-UHFFFAOYSA-N 400.478 4.533 0 40 HJAB O=C(COc1cccc(Br)c1)N1CC=C(c2c[nH]c3ccccc23)CC1 12769929 MPTLDIAOAVNYOU-UHFFFAOYSA-N 411.299 4.625 0 40 HJAB CCc1ccc(Cl)c(CC)c1NC(=O)CCN1C(=O)CSc2ccccc21 12981465 DBHCEBDSSKCSPA-UHFFFAOYSA-N 402.947 4.932 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Oc2ccc3ccccc3c2)CC1 13708508 APXNQBCDDPCMQR-SFHVURJKSA-N 408.929 4.918 0 40 HJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2nsc3ccccc23)CC1 13726939 NTDQONBCINAFDC-UHFFFAOYSA-N 407.326 4.957 0 40 HJAB CCCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1OCCC 14348686 NFFFYAAFAGUZCO-UHFFFAOYSA-N 402.516 4.927 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1F 15330575 RZAFTYAOBXTSFO-VIFPVBQESA-N 417.072 4.757 0 40 HJAB CCc1cccc(C)c1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 15398165 UBRJWHPWLGWZSP-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1Cl 16226853 KUHQNSGLQNMXNR-UHFFFAOYSA-N 412.323 4.739 0 40 HJAB COc1ccc(/C=C/c2nnc(NC(=O)c3ccccc3Br)s2)cc1 17247655 ZKOTVNOUGLTSQL-DHZHZOJOSA-N 416.300 4.732 0 40 HJAB Cc1ccc(NC(=S)NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 19682526 XMOKZRPDLXBTHS-UHFFFAOYSA-N 414.578 4.584 0 40 HJAB O=C(c1ccc(O)c(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 21004189 BCYLRFUQYRDQGY-UHFFFAOYSA-N 406.913 4.593 0 40 HJAB CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C(F)(F)F)ccc21 22236678 SIUFVJNEESJXTK-UHFFFAOYSA-N 408.807 4.624 0 40 HJAB O=C(Nc1cccc(-c2nnco2)c1)C1(c2ccc(Br)cc2)CCCC1 24740176 AARZJCCBXVRQAJ-UHFFFAOYSA-N 412.287 4.950 0 40 HJAB CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3ccccc3Cl)cc12 26440727 HDAQMYAKBALKPS-UHFFFAOYSA-N 420.944 4.955 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)Cc2nc(-c3ccccc3)oc2C)cc1OC 29193904 DDTRIXPMWHLXQI-FQEVSTJZSA-N 406.482 4.573 0 40 HJAB CC(C)(C)c1ccc(C2(C(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)CC2)cc1 32354600 LBFYNHQMJKHTCY-UHFFFAOYSA-N 420.962 4.679 0 40 HJAB CCN(CC)Cc1ccccc1CNC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 32772633 HUEQGVCRXLSSHT-UHFFFAOYSA-N 404.510 4.921 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NCCCO[C@@H](C)c2ccccc2)c1 32907570 POBNUBPXAKUWIL-SFHVURJKSA-N 424.570 4.590 0 40 HJAB CCc1ccc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)cc1 38651722 JNOGAMNLVWAEKY-UHFFFAOYSA-N 403.507 4.635 0 40 HJAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1 38855991 JGEALQVEDVUTNQ-LJQANCHMSA-N 424.504 4.675 0 40 HJAB CC(=O)Nc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1C 40119829 BSJFRNDCSCZXLZ-UHFFFAOYSA-N 410.905 4.591 0 40 HJAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3C(=O)N(C)C)c12 40133572 FRYKLLIQRWJOAX-UHFFFAOYSA-N 421.545 4.572 0 40 HJAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1 40134038 JGNXIXCYKPDLSW-UHFFFAOYSA-N 420.943 4.898 0 40 HJAB C[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1NS(C)(=O)=O 43284430 GGCVAZJWCBADQV-INIZCTEOSA-N 400.544 4.597 0 40 HJAB CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2ccc(CC)cc2)c1 57486301 RYNCOLNVNPQSTG-UHFFFAOYSA-N 421.566 4.940 0 40 HJAB COc1ccc([C@@H]2SCC(O)=Nc3c2cnn3C)cc1OCc1ccccc1F 61718897 USEXETHJVOCQRP-FQEVSTJZSA-N 413.474 4.571 0 40 HJAB Cc1ccc(NNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1Cl 84183073 CHICGTRDLALNNC-CQSZACIVSA-N 400.935 4.618 0 40 HJAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCO[C@H](c2ccccc2)C1 95473895 LNWAFMUNPQEDPZ-GMAHTHKFSA-N 408.929 4.916 0 40 HJAB COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)c2ccccc2)cc1 95945148 NDVUYEDRYIXJQJ-HSZRJFAPSA-N 416.477 4.704 0 40 HJAB Cc1ccc(NC(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)cn1 96147713 OACHXNKIHNLKLQ-UHFFFAOYSA-N 409.493 4.978 0 40 HJAB Cc1cccc(COc2ccc(/C=C3\NC(=S)N(C4CCCCC4)C3=O)cc2)c1 105049003 ZHPUGLHWOLEDLH-JCMHNJIXSA-N 406.551 4.964 0 40 HJAB CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c(C)c1 219468311 UIABCSVPCURVPH-UHFFFAOYSA-N 416.477 4.704 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3Cl)N21 222687253 NKQQZKHJKSDOBJ-ZUSMLRIVSA-N 403.935 4.732 0 40 HJAB COCc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c1 223941506 ROQHZXOYWBRTAJ-UHFFFAOYSA-N 424.522 4.503 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)c1 224243261 BZKAVWFQQVZWTN-LJQANCHMSA-N 414.977 4.689 0 40 HJAB Cc1cccc(CCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1 224541978 UNVJLGPCIJLXMU-XLNRJJMWSA-N 404.535 4.576 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 224652461 IIFZELLGUVPMPS-QFIPXVFZSA-N 414.977 4.771 0 40 HJAB Cc1ccccc1CN1CCC(C(=O)NCc2ccccc2CN2CCCCC2)CC1 224839308 FHOGAHZALZNOCD-UHFFFAOYSA-N 419.613 4.509 0 40 HJAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)ccc1OC 225750598 HYCZLKXIRACXAF-UHFFFAOYSA-N 401.890 4.976 0 40 HJAB O=C1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccc(Br)cc21 225822914 GBUOBYJKPXSOTP-UHFFFAOYSA-N 404.279 4.588 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 225983842 STAXYEJNHBGLAZ-UHFFFAOYSA-N 422.550 4.618 0 40 HJAB FC(F)(F)c1ccccc1Cc1cccc([C@@H]2CN(Cc3ccncc3)CCO2)n1 257302932 SFAXXYLCHFTGDH-QFIPXVFZSA-N 413.443 4.660 0 40 HJAB O=C(Nc1ccccc1)c1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1 408674278 YYEMHVFSUDZZPL-UHFFFAOYSA-N 421.250 4.502 0 40 HJAB O=C(O)[C@H]1CS[C@@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N1 408817234 XKIRALXPLLJYTM-AEFFLSMTSA-N 407.322 4.785 0 40 HJAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 409107587 RZSXSXKSZUAHTH-JASJWYONSA-N 419.543 4.585 0 40 HJAB CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1O 409412603 YNBMBCFSDOLOLO-UHFFFAOYSA-N 404.495 4.555 0 40 HJAB CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(Cc2ccccc2C(F)(F)F)n1 606148302 ZYWGKBRTUGNKDL-UHFFFAOYSA-N 423.822 4.998 0 40 HJAB Cc1ccc(CN2CCC3(CCCCc4ccccc4OC[C@H](C)NC3=O)CC2)cc1 643563809 XIHQDHBPDYJWEA-QFIPXVFZSA-N 420.597 4.887 0 40 HJAB CCN1CCCCCN(C(=O)C2CCC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582753 MRDYAYXAERZYJX-GGAORHGYSA-N 412.574 4.651 0 40 HJAB C[C@H]1[C@H]2CC[C@H]3[C@H](C[C@H]4[C@@H]3C[C@H](O)[C@@H]3C[C@H](O)CC[C@@]43C)[C@H]2CN2C[C@H](C)CC[C@H]12 1529054612 NEMWYOKGHGSVSC-SWHIXIFASA-N 415.662 4.563 0 40 HJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1ccc(OC(F)(F)F)cc1 1775978965 WQTRULYBTLJSKZ-KRWDZBQOSA-N 407.413 4.777 0 40 HJAB CC1(C)C[C@@]2(CCCN2C(=O)c2cccnc2C(F)(F)F)CN1c1ccc(F)cc1 2037988448 JLXMQCXOHQKXOU-NRFANRHFSA-N 421.438 4.903 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1C[C@@H](C)CC2 659360 HLVHGXYAZQTIOX-VIFPVBQESA-N 412.305 4.657 0 40 HJAB CC(C)(C)c1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3nccs3)sc2n1 804054 YFDSMPJLRZKCEO-UHFFFAOYSA-N 400.451 4.904 0 40 HJAB CCn1c(CNc2ccccc2Cl)nnc1S[C@@H](C)C(=O)Nc1ccccc1 900360 RGDIGRUFHAKBLA-AWEZNQCLSA-N 415.950 4.683 0 40 HJAB Cc1cccc(-n2c(N)c(C(=O)Nc3cccc(F)c3)c3nc4ccccc4nc32)c1 2291073 XUGUHYOBTQXBEL-UHFFFAOYSA-N 411.440 4.856 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 3239168 AATWHBJPLNXUEP-UHFFFAOYSA-N 402.661 4.516 0 40 HJAB O=S(=O)(Nc1nc2ccccc2nc1NCCC1=CCCCC1)c1ccccc1 3271798 KHSHWMOUVNMUGS-UHFFFAOYSA-N 408.527 4.733 0 40 HJAB O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)NCc1ccccc1 3286808 OBFYYTKKIBPGLE-UHFFFAOYSA-N 413.395 4.846 0 40 HJAB COc1ccc([C@@H]2N(c3ccc(Cl)cc3)N=C(C(C)=O)N2C(C)(C)C)cc1OC 3765494 LXLLULKDSZYJJF-NRFANRHFSA-N 415.921 4.879 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@H](c3cc4ccccc4nc3Cl)C2)cc1OC 4142163 WUEUKBDRAVAKAA-IBGZPJMESA-N 409.873 4.603 0 40 HJAB COc1ccccc1C(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 4231030 DPNGZUDRMWBOAD-UHFFFAOYSA-N 404.510 4.739 0 40 HJAB CCc1ccc(C(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)cc1 4490748 RZDIOWNFQKPHOX-OAHLLOKOSA-N 412.534 4.566 0 40 HJAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 4690827 UUDHQOXCLYKKJQ-RGEXLXHISA-N 410.495 4.541 0 40 HJAB CCC1=NN(C(=O)c2ccc(-c3ccccc3)cc2)[C@](O)(c2ccc(OC)cc2)C1 4832547 ILNDAXOCHMJJIU-RUZDIDTESA-N 400.478 4.819 0 40 HJAB COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)c2ccccc2)cc1 4871438 SYZMDNSLXOPPRV-QFIPXVFZSA-N 416.477 4.704 0 40 HJAB CC[C@@H](Sc1nnc(N)s1)C(=O)N1c2ccccc2Sc2ccccc21 5016465 BSPLCDQIUFENTR-CYBMUJFWSA-N 400.554 4.821 0 40 HJAB COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)cc1OC 5256088 KAANDUVLZKJGRB-OAQYLSRUSA-N 411.889 4.796 0 40 HJAB CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3C)cc1)C2=O 5953258 MOMINBKRGLLVSV-UHFFFAOYSA-N 401.418 4.765 0 40 HJAB CCCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1 6386756 UOUUNOSYTUOXNF-UHFFFAOYSA-N 417.962 4.856 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)CNC(=O)c1ccc(Cl)cc1Cl 6560380 BKSMJFMJTPSWTA-UHFFFAOYSA-N 409.313 4.668 0 40 HJAB CCc1ccccc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 7268137 ZQKWMFDEBYAEGH-IBGZPJMESA-N 415.537 4.814 0 40 HJAB COc1ccc(CCNc2nc(-c3cccc(N4CCCC4=O)c3)cs2)cc1OC 8297983 ICRKUBXTXSIYGW-UHFFFAOYSA-N 423.538 4.609 0 40 HJAB O=C(N[C@@H]1CCSc2ccccc21)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 8312033 KYYRAXBQTLPSKD-QFBILLFUSA-N 414.958 4.546 0 40 HJAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(C)c(Cl)cc3OC)n2)cc1 8483902 BOGGYGRMNZTHJU-UHFFFAOYSA-N 416.934 4.735 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(c1cccc(C)n1)C3=O 8664925 QUUOAYYIWRJTDY-NRFANRHFSA-N 400.409 4.694 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 8783019 YOUQRFSDQXBZLW-UHFFFAOYSA-N 410.539 4.676 0 40 HJAB Cc1cc(NC(=S)NC(=O)c2ccco2)cc(-c2nc3ccccc3s2)c1O 9192683 AZMRZTWTJGYCON-UHFFFAOYSA-N 409.492 4.697 0 40 HJAB O=C(NCc1ccccc1)c1ccccc1OCc1nc(-c2cccc(Cl)c2)no1 9530630 NIYWMERFJIFMQL-UHFFFAOYSA-N 419.868 4.899 0 40 HJAB CC1CCN(c2nc(Nc3cccc(F)c3)c3cnn(-c4ccccc4)c3n2)CC1 9622898 AGWSWMIVAUAQSG-UHFFFAOYSA-N 402.477 4.935 0 40 HJAB CCc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(C)ccc32)cc1 9855762 REYGEANKTPKZMR-UHFFFAOYSA-N 424.500 4.742 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 10060349 SSDGRVLHMXLRET-ZEQRLZLVSA-N 424.504 4.976 0 40 HJAB CCOc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc(F)cc3)nc12 10580770 YQFSUQUBLHFSAB-UHFFFAOYSA-N 424.501 4.768 0 40 HJAB O=c1ncn(CCc2c[nH]c3ccccc23)cc1-c1ncc(C(F)(F)F)cc1Cl 12338535 RLAFHWRSFJKUET-UHFFFAOYSA-N 418.806 4.702 0 40 HJAB Cc1c(-c2ccccc2)sc(NC(=O)c2ccccc2F)c1C(=O)N1CCOCC1 12688496 KXWLCCCUUNRCQU-UHFFFAOYSA-N 424.497 4.587 0 40 HJAB COc1cc(OC)c(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1Cl 12887073 LVYZRRZRCJFEBD-UHFFFAOYSA-N 414.893 4.813 0 40 HJAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 13494987 MNRAJBYQDYHTFM-CYBMUJFWSA-N 419.934 4.727 0 40 HJAB CC(C)(C)C(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19081330 WCZNZENOXFMDLJ-FQEVSTJZSA-N 401.514 4.992 0 40 HJAB FC(F)(F)c1cccc(-c2nccnc2[C@H]2CN(CCc3ccccc3)CCO2)c1 19693159 UPNNJOSHVPKTOH-HXUWFJFHSA-N 413.443 4.778 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3ccc(C)c(C)c3)nnc2c1-c1ccc(F)cc1 20672738 PLVAVCONBCWOLQ-UHFFFAOYSA-N 403.461 4.670 0 40 HJAB CCc1ccc(-c2csc(NC(=O)C[C@@H](NC(C)=O)c3cccs3)n2)s1 21447972 AQSZTSWDETXAEB-CYBMUJFWSA-N 405.570 4.702 0 40 HJAB CS(=O)(=O)c1ccc(F)c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 21832710 SVULRLPROBELGU-FQEVSTJZSA-N 415.511 4.701 0 40 HJAB CCOc1ccc(CCNC(=O)c2cccnc2Nc2ccc(F)cc2)cc1OCC 22072002 DBYGORBNFYAYJH-UHFFFAOYSA-N 423.488 4.734 0 40 HJAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(Cc2ccsc2)CC1 22784118 BBYHXFVRJYMNBW-LJQANCHMSA-N 405.567 4.560 0 40 HJAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(OC)c1 24160187 KISKVAZXXKQGBG-JTQLQIEISA-N 402.800 4.815 0 40 HJAB CCOc1ccccc1NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)cc1OC 25153456 HSQIPOYQKPHBCS-UHFFFAOYSA-N 405.376 4.551 0 40 HJAB COc1ccc(Br)c(C(=O)Nc2cccc(CN3CCCCC3)c2)c1 27139625 NJFCZXLYSJRJLC-UHFFFAOYSA-N 403.320 4.696 0 40 HJAB O=C(Nc1ccc(Br)cc1F)[C@H]1CCCN(Cc2ccc(F)cc2)C1 30938562 YBCRIHYJZRWQAI-AWEZNQCLSA-N 409.274 4.578 0 40 HJAB O=C(Cn1c(SC(F)F)nc2ccccc21)N[C@@H]1CCSc2ccc(F)cc21 31499255 WWRSDOGTPVQYHE-CYBMUJFWSA-N 423.485 4.843 0 40 HJAB O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2F)c1)c1ccc2c(c1)OCO2 32796116 JBTGXSSAEJYMBO-UHFFFAOYSA-N 412.804 4.712 0 40 HJAB CC(C)n1c(SCC[S@@](=O)c2ccccc2)nc2cc(Cl)ccc2c1=O 32933446 NGRAYLYUKWQMSV-SANMLTNESA-N 406.960 4.531 0 40 HJAB CC[C@@H](C(=O)Nc1cccc(Cl)c1C)n1ncc(-c2ccc(Cl)cc2)nc1=O 33324686 AFEWHWGHBBYCNE-SFHVURJKSA-N 417.296 4.510 0 40 HJAB COc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4cccc(C)c4)c3)no2)c1 33327381 DHJOGBVWASORCC-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB O=C(c1cc(-c2ccc(F)c(F)c2)on1)N1CCC(c2nc3ccccc3o2)CC1 35673103 PUORMKRJSQSMKA-UHFFFAOYSA-N 409.392 4.781 0 40 HJAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(C(F)(F)F)c2)ccc1O 36356970 MRWBDFMZAGZBOR-AWEZNQCLSA-N 403.360 4.729 0 40 HJAB Cc1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1NS(=O)(=O)c1ccccc1 36391628 SFVILZSJNBBUGF-UHFFFAOYSA-N 406.507 4.537 0 40 HJAB CC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 38858367 VWRBDCYJOLFYKT-UHFFFAOYSA-N 415.331 4.502 0 40 HJAB COc1cc(/C=C(/CCCC(=O)O)c2nc3ccccc3s2)cc2c1OCCO2 39976013 XXZOJNLWFAKFJB-PTNGSMBKSA-N 411.479 4.872 0 40 HJAB Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccccc3)nc3ccsc3c2=O)c1 57488277 GQAVYCOURLPQBC-UHFFFAOYSA-N 421.547 4.795 0 40 HJAB Cc1cccc(CCNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)c1 60323468 GNSIYZHXKNHZLF-UHFFFAOYSA-N 407.823 4.825 0 40 HJAB O=S(=O)(Cc1ccccc1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349368 VSJFKVVHBDMCLL-OAQYLSRUSA-N 424.541 4.521 0 40 HJAB O=C(c1ccccc1)c1ccc(CNS(=O)(=O)c2cccc3ccccc23)s1 96119883 DKHUNWFFRQPUMN-UHFFFAOYSA-N 407.516 4.611 0 40 HJAB COc1ccc(-c2csc(C3=C(O)CN(Cc4ccccc4OC)C3=N)n2)cc1 102723548 HNVNDZPFGPBIHT-UHFFFAOYSA-N 407.495 4.589 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 223520634 IIJSJNWMMSIGQO-OYADDEIPSA-N 418.493 4.553 0 40 HJAB O=C(COc1ccc2ccccc2c1Br)NCCc1ccc(Cl)cc1 224255740 UEHWEIALQMFLTF-UHFFFAOYSA-N 418.718 4.993 0 40 HJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(OC)c(Cl)c3)o2)cc1 224859563 SLJDNQAVKSLXBK-UHFFFAOYSA-N 400.862 4.974 0 40 HJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(I)cc1 225121173 CEOHRBJTQLFSTI-ZDUSSCGKSA-N 421.278 4.576 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 225248321 XVOFHWKVGUXEHG-QFIPXVFZSA-N 414.977 4.833 0 40 HJAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1C(=O)N1CCCCCC1 225451374 AJNXQINYXPOITO-UHFFFAOYSA-N 406.526 4.599 0 40 HJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nnc(SCc2ccccc2)s1 225500646 YGCLTWZAJMHVTM-HNNXBMFYSA-N 403.504 4.766 0 40 HJAB Cc1ccc(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)cc1C 225670203 UMNOQKBKCHLJBG-IBGZPJMESA-N 414.977 4.689 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225696077 RNIIDQIVRVEYJF-OAQYLSRUSA-N 408.586 4.727 0 40 HJAB CC(C)c1ccc(OCC(=O)Nc2cc(Br)c3nc(N)sc3c2)cc1 226312215 JGOBGYLLBXWCBT-UHFFFAOYSA-N 420.332 4.782 0 40 HJAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)c1 408643298 RDZMPVIIRCNKMV-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409200912 KHXPAEBWGMZAFO-BOPFTXTBSA-N 418.902 4.553 0 40 HJAB Cn1ncc2c1CCC[C@H]2NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 507044971 FVBZJZDMTIWMEX-JOCHJYFZSA-N 416.500 4.834 0 40 HJAB COc1cc(C)c(Br)cc1S(=O)(=O)Oc1ccc(C(C)C)c(C)c1 1660371258 GGXQZPQTQJAMIY-UHFFFAOYSA-N 413.333 4.966 0 40 HJAB COc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 622333 FENHVCGJSVXDNS-UHFFFAOYSA-N 406.482 4.642 0 40 HJAB COc1ccc(CCNC(=O)CSc2nc3c(C)c(C)ccc3cc2C)cc1OC 875683 XGDFOPYEOCWNLR-UHFFFAOYSA-N 424.566 4.628 0 40 HJAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1nc2ccccc2s1)OCO3 930029 ZVIDOULUFUUOSB-UHFFFAOYSA-N 409.492 4.612 0 40 HJAB C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 989859 NSOJCOQQFNDQKS-UPCLLVRISA-N 405.881 4.593 0 40 HJAB CCN(CC)C(=S)Oc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 1434616 ZFOGDNUBMRFSIS-UHFFFAOYSA-N 407.333 4.707 0 40 HJAB Cc1ccc(-n2ncc3c2ncn2c(COc4cc(C)ccc4C(C)C)nnc32)cc1 2193895 TXTZKHNFUWUNNV-UHFFFAOYSA-N 412.497 4.782 0 40 HJAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cccc(C)c2C)cc1 2326652 OBZSCIMRMLYDDH-UHFFFAOYSA-N 400.478 4.768 0 40 HJAB aggregator CCc1ccc(NC(=O)[C@H](CC)Sc2nc3ccccc3c3nc(C)nn23)cc1 2969566 FVACVOFKKDDSCP-IBGZPJMESA-N 405.527 4.658 0 40 HJAB CSc1nc2ccc(NC(=O)COc3ccc(Br)cc3)cc2s1 3327864 RHLINHXPXYKJJS-UHFFFAOYSA-N 409.330 4.798 0 40 HJAB CCCc1oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2c1C(=O)OCC 3368286 QATMWBCCAPLWDK-UHFFFAOYSA-N 401.484 4.671 0 40 HJAB COc1cccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c1OC 3385629 KDZRBMWHJCLJLE-UHFFFAOYSA-N 421.474 4.690 0 40 HJAB CCCCNC(=O)CSc1nc2ccc(NC(=O)c3ccc(C)cc3)cc2s1 3664673 ZGVDAISAZIMUOY-UHFFFAOYSA-N 413.568 4.865 0 40 HJAB C[C@@H](NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 4404715 TZNQOJGWTXLGEJ-YVIFXJPMSA-N 400.632 4.798 0 40 HJAB Cc1cccc(C)c1OCCn1c([C@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 4910828 RBGUSUGYPMQUFY-IBGZPJMESA-N 405.542 4.847 0 40 HJAB COc1ccccc1Cn1cc(C(=O)c2ccc(F)cc2)c(=O)c2cc(F)ccc21 4937175 LUCQNJUYXGGMRV-UHFFFAOYSA-N 405.400 4.568 0 40 HJAB O=C(N1CCN(c2nc(-c3ccccc3)cs2)CC1)C12CC3CC(CC(C3)C1)C2 4967068 YEMSNEAQUFKNDW-UHFFFAOYSA-N 407.583 4.675 0 40 HJAB CCCOc1ccc(C2=NNC(c3ccncc3)=Nc3ccc(OCC)cc32)cc1 6500722 ALYIJVNWABHBPM-UHFFFAOYSA-N 400.482 4.703 0 40 HJAB CCCCNS(=O)(=O)c1ccc2c(c1)nc(Cc1cccs1)n2CCCC 6652252 UJTSOLWXHTXDRM-UHFFFAOYSA-N 405.589 4.567 0 40 HJAB CC(C)c1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)cc1 6752771 HUAVZAOLFRNFND-MHECFPHRSA-N 417.509 4.630 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)N1CCC[C@H]2CCCC[C@H]21 7327711 YMEIZOFDHMIKFK-DNVCBOLYSA-N 414.550 4.692 0 40 HJAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)CC2=O)c1 7881854 XUIDZKUOZOGIOR-SFHVURJKSA-N 416.477 4.788 0 40 HJAB O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccc(Br)o1 8722893 COCDRRWCLSNMDU-LLVKDONJSA-N 400.656 4.506 0 40 HJAB COCCCNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 8844587 HZEBNIXIAMTNLZ-UHFFFAOYSA-N 420.918 4.585 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)c(C)c1 8961293 KTLSHBVGXWLQQV-UHFFFAOYSA-N 408.479 4.771 0 40 HJAB COc1cc([C@@H]2S[C@H](C)C(=O)N2CCc2ccccc2)cc(OC)c1OC(F)F 9442169 UDBQLGBBBVRTSZ-XCLFUZPHSA-N 423.481 4.510 0 40 HJAB COc1cccc(NC(=O)COc2ccc(C(=O)N[C@H](C)c3ccccc3C)cc2)c1 9512467 PRLYRUCTAYCVHK-GOSISDBHSA-N 418.493 4.512 0 40 HJAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(-c4cn5ccccc5n4)cc3)cc2NC1=O 10321618 OZSGFDDFSKLPCP-AWEZNQCLSA-N 414.490 4.686 0 40 HJAB CC[C@H](C)N(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(F)cc1 10537119 LSVNKKUOFSTONE-ZDUSSCGKSA-N 423.897 4.519 0 40 HJAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccc(OC(F)F)cc1 11837048 IMYFDGQKXXZVCB-UHFFFAOYSA-N 406.816 4.845 0 40 HJAB CCCC(=O)c1cc2c(cc(Br)c3oc(C)c(C(=O)OCC)c32)oc1=O 11865283 KDXZGJTZAJWHIM-UHFFFAOYSA-N 421.243 4.770 0 40 HJAB biogenic CC1(C)Cc2nc(-c3cccnc3)ncc2[C@H](NC(=O)c2cccc3ncccc23)C1 12221099 OMLBDZIVVYQWOP-JOCHJYFZSA-N 409.493 4.530 0 40 HJAB O=C(Nc1ccccc1I)c1ccc(COc2ccccc2)o1 12273971 NQBHKZYIGJTHLD-UHFFFAOYSA-N 419.218 4.716 0 40 HJAB COc1cccc([C@H](CNC(=O)CCc2ccc(-c3ccccc3)o2)N2CCCC2)c1 12780202 XHPMDTXBNDFYRG-DEOSSOPVSA-N 418.537 4.841 0 40 HJAB COC(=O)c1ccc(OC)cc1OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 12922551 XUGSALSHJCXITG-XMMPIXPASA-N 424.424 4.808 0 40 HJAB Cc1oc2cc(OCC(=O)N(C)C3CCCCC3)ccc2c(=O)c1-c1ccccc1 13655996 OSJRZPUUWIYEMM-UHFFFAOYSA-N 405.494 4.938 0 40 HJAB biogenic CC1(C)CC(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)CC(C)(C)N1 14115587 VXYNFDMDKFBTIF-UHFFFAOYSA-N 400.950 4.958 0 40 HJAB Cc1ccc(NC(=O)c2ccc(I)cc2)c(Br)c1 15316135 WGDAMTMGAFWPHC-UHFFFAOYSA-N 416.056 4.614 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 15600489 KQFYNJMXXQBKIV-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Cc1ccc(OCC(=O)Nc2nc(C)c(-c3nc(-c4ccccc4C)no3)s2)cc1 15669991 GCBVJXBNBDFDDJ-UHFFFAOYSA-N 420.494 4.803 0 40 HJAB COc1ccccc1OCC(=O)N(C)[C@@H](c1cccs1)c1c[nH]c2ccccc12 15835555 UMXDHOYRZISANE-HSZRJFAPSA-N 406.507 4.865 0 40 HJAB O=C(NCc1ccc(F)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 20460126 ZFEVKKYIAPFJIL-DEOSSOPVSA-N 420.509 4.530 0 40 HJAB COc1ccc(NC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1 22508923 WQSVPAOHEGPGKR-UHFFFAOYSA-N 411.502 4.747 0 40 HJAB Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)c1 22514123 SISMJXYHABMTFZ-UHFFFAOYSA-N 422.550 4.902 0 40 HJAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1cn(-c2ccc(Cl)cc2)nn1 24922566 TUGIQBQUGFXNCL-LJQANCHMSA-N 412.877 4.641 0 40 HJAB CCOC(=O)c1cnn(-c2nc(-c3ccc(C)cc3)cs2)c1C(F)(F)C(F)F 25184241 ALIZLECWNBAARO-UHFFFAOYSA-N 413.396 4.838 0 40 HJAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3csc(-c4cccnc4)n3)c2)C1 27663276 PSOCBIHFIPHJAY-HZPDHXFCSA-N 413.568 4.539 0 40 HJAB CCOc1ccccc1C(=O)Nc1nn(Cc2ccc(C)cc2)cc1Br 27917120 VZNPBHQZURZATC-UHFFFAOYSA-N 414.303 4.653 0 40 HJAB O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc(Oc2ccccc2)cc1 32102692 ABMCLFACQJFXDU-NRFANRHFSA-N 415.449 4.598 0 40 HJAB Cc1ccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c(C)c1 33271975 AXKVCUYQVCYGAE-UHFFFAOYSA-N 406.507 4.670 0 40 HJAB CC(C)CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 33562213 ZPXDLVQNDXZTEY-VBKFSLOCSA-N 420.534 4.712 0 40 HJAB CC(=O)N[C@@H](CC(=O)N1CC[C@@H](C)Sc2ccccc21)c1ccc(Cl)cc1 36648387 NCSULYKSOLXQIR-KDOFPFPSSA-N 402.947 4.825 0 40 HJAB CC1CCN(Cc2ccc(C(=O)NCc3ccc(CN4CCCCC4)cc3)cc2)CC1 38831686 LGDUAIDBJMSOHA-UHFFFAOYSA-N 419.613 4.834 0 40 HJAB O=C(Nc1ccccc1Oc1ccccc1Cl)C1CCN(c2ncccn2)CC1 40131932 NQFGUZGGABSWMN-UHFFFAOYSA-N 408.889 4.777 0 40 HJAB Cc1nc(NC(=O)c2ccc(N(C)c3ccccc3)nc2)sc1-c1ccccn1 40132451 ZLSONIMMINYJST-UHFFFAOYSA-N 401.495 4.929 0 40 HJAB CNC(=O)c1ccc(C)c(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1 40133286 LUBRBGTYOUSPDB-UHFFFAOYSA-N 421.545 4.538 0 40 HJAB CSc1ccc([C@@H](C)NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1 40133775 CZSWCSJWLXQNSV-OAHLLOKOSA-N 410.564 4.891 0 40 HJAB CC(C)(C)c1nnc(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)o1 40134560 XYIHGLKFDMLXCN-INIZCTEOSA-N 405.520 4.566 0 40 HJAB CCc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4cccc(SC)c4)C3)sc2c1 40160299 WPOFBOPIAHOLHN-CQSZACIVSA-N 411.552 4.572 0 40 HJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)N1CCCC1 44883557 RIDHNPGZDFZOGO-JOCHJYFZSA-N 402.494 4.872 0 40 HJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44937211 XSQROISHEKNCPW-URXFXBBRSA-N 412.549 4.950 0 40 HJAB C[C@H]1CCCCN1C(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 59809596 ZUVVYSKJOPBSOD-IBGZPJMESA-N 420.582 4.546 0 40 HJAB COc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)cc(OC)c1 67296479 CBQWAZNAJXZBIG-LCUIJRPUSA-N 415.449 4.638 0 40 HJAB CCCOc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(Br)c2)cc1 72329050 OVIOHFNZZUCTQD-UHFFFAOYSA-N 414.303 4.558 0 40 HJAB Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1 72354008 CJGAPXURISCWET-HXUWFJFHSA-N 420.532 4.986 0 40 HJAB O=C(C1CCCC1)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 72371381 JEIMUQOMTKQCCY-MRXNPFEDSA-N 421.463 4.556 0 40 HJAB CSc1nc2n(n1)[C@H](c1ccccc1)C(C(=O)Nc1ccc(Cl)cc1)=C(C)N2 80325188 OFNUYQSNTDKCOG-QGZVFWFLSA-N 411.918 4.581 0 40 HJAB O=C1[C@@H]2[C@H]3C(Cl)=C[C@@H](c4ccccc43)[C@H]2C(=O)N1c1cccc(Br)c1 100046129 MCKXPDXJJQJJHD-DZOHQFGASA-N 414.686 4.572 0 40 HJAB C[C@H](NC(=O)[C@@H](C)OC(=O)C1(c2cccc(F)c2)CCCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103005109 BHIBQOONCFCENX-CXBOPNHVSA-N 401.522 4.510 0 40 HJAB C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(Cl)cc2)n1C 107906192 BODIODFZQSQNCJ-GFCCVEGCSA-N 421.353 4.905 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 222992087 OUUZTMBUCPZEHP-FQEVSTJZSA-N 412.599 4.562 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C(C)C 223492680 OYQUTADMCCWHBY-YADHBBJMSA-N 405.571 4.649 0 40 HJAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3c(C)cc(C)cc3C)c2)c1 224135763 WDCYAKLCIBHQNY-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB CC(C)(C)c1ccc(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 224553567 XZVRDJIGTAJDIB-UHFFFAOYSA-N 412.549 4.530 0 40 HJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225070781 LIKDEMDAAJSRHH-MRXNPFEDSA-N 421.368 4.522 0 40 HJAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1C 225173408 VYDZOQXVWNHDGJ-FCHUYYIVSA-N 419.554 4.552 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 225253347 IWUUULFFSUIURP-NRFANRHFSA-N 400.950 4.525 0 40 HJAB CC(C)Oc1cccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)c1 225833689 ARFKSPJBIVIPNG-UHFFFAOYSA-N 402.907 4.664 0 40 HJAB COc1ccc(C2(NC(=S)Nc3ccc(C)c(N4CCCC4=O)c3)CCCC2)cc1 225870023 FEIHFBYHLJSXLT-UHFFFAOYSA-N 423.582 4.886 0 40 HJAB C[C@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NC2CCCCCC2)n1 226011144 KIPCHBVLFXQAAA-ZDUSSCGKSA-N 415.529 4.883 0 40 HJAB COc1ccc2c(c1)[C@H]1OCC3(CCN(Cc4ccncc4)CC3)C[C@@H]1C(C)(C)O2 257320885 VZAPPSMXEMKVMD-JTHBVZDNSA-N 408.542 4.621 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(F)c2)ccc1Cl 408546555 UJBBCFVAXXVOHF-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2ccc(CC)cc2)cc1NC(=O)c1ccccc1 408557843 OGFDEHHJKIWFCD-UHFFFAOYSA-N 424.522 4.701 0 40 HJAB CSc1nc(N2CCCCC2)c2cc(C(=O)N[C@@H](C)c3ccccc3)sc2n1 408622461 QLLTZUMZSXOWAR-AWEZNQCLSA-N 412.584 4.895 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 408642704 POAQIEZWGXKYKQ-INIZCTEOSA-N 415.331 4.620 0 40 HJAB Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4ccc(F)cc4F)C[C@H]23)o1 585109656 HRUGRZVUVTZFHP-SXWKCWPCSA-N 408.448 4.567 0 40 HJAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1 1352806 HAYGKRLMTXUXPS-UHFFFAOYSA-N 405.429 4.803 0 40 HJAB CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C)cc2)s1 2410539 GFPOTEWQWSWULG-LJQANCHMSA-N 417.490 4.574 0 40 HJAB COc1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1Cl 2419730 OYJJQRXDJGRSKS-UHFFFAOYSA-N 422.938 4.605 0 40 HJAB Cc1ccccc1Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2c3c(sc21)CCC3 2687558 OZUPXJQKHJCMJC-UHFFFAOYSA-N 422.937 4.713 0 40 HJAB COc1cc2c(cc1NC(=O)COC(=O)CCc1ccccc1)oc1ccccc12 3240627 DDOZWNJNPBPYHG-UHFFFAOYSA-N 403.434 4.709 0 40 HJAB O=C(CCNC(=O)c1ccccc1Cl)Oc1ccc(OCc2ccccc2)cc1 3374739 AHMJHBFCKMEXSD-UHFFFAOYSA-N 409.869 4.645 0 40 HJAB COc1ccc(N(Cc2nc3ccccc3s2)S(=O)(=O)c2cccs2)cc1 3431096 KZKRLZOCASCWGB-UHFFFAOYSA-N 416.549 4.762 0 40 HJAB CCc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 4593196 NZKIVDMSDBHTOB-UHFFFAOYSA-N 401.462 4.849 0 40 HJAB Cc1cc2nc(N3CCN(C(=O)Cc4cccc5ccccc45)CC3)sc2cc1C 5299351 FRHSHMFCLPLSOJ-UHFFFAOYSA-N 415.562 4.958 0 40 HJAB Cc1cccc(N(CCCC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)c1 8041597 PGYJDQFAZAPEJS-UHFFFAOYSA-N 422.550 4.847 0 40 HJAB C[C@H](NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc2c(c1)OCCO2 8190875 PLCAKRBOQARPTE-INIZCTEOSA-N 411.461 4.559 0 40 HJAB COc1ccccc1CN(C)C(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1 8725455 BBNUOCLYLXKLHI-UHFFFAOYSA-N 415.493 4.503 0 40 HJAB CCn1cc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c(=O)c2ccc(C)nc21 8770444 UWVQNLVUMSVYAB-UHFFFAOYSA-N 418.522 4.717 0 40 HJAB Cc1cc(C)c2oc(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)cc(=O)c2c1 8843773 CTFZHQHKKRCEPV-UHFFFAOYSA-N 408.454 4.849 0 40 HJAB O=c1c(-c2ccccc2)c(NS(=O)(=O)c2ccc(Cl)cc2)oc2ccccc12 9421820 ZKTPPHDBOPYOPK-UHFFFAOYSA-N 411.866 4.914 0 40 HJAB CCOc1ccccc1-c1noc(COC(=O)c2cccnc2Oc2ccccc2)n1 9939224 CUCSATUSUQPJML-UHFFFAOYSA-N 417.421 4.680 0 40 HJAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1c(Cl)cccc1Cl 10238800 GAFRAPQCQLABOA-UHFFFAOYSA-N 417.745 4.836 0 40 HJAB CCn1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C(C)C)cccc3s2)n1 11696674 WXAFIFVLJMRSTM-UHFFFAOYSA-N 405.527 4.878 0 40 HJAB CCCOc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)c(C)c2)cc1 12062994 DPWDETBQYNYCLE-UHFFFAOYSA-N 401.850 4.505 0 40 HJAB CCC(CC)C(=O)Nc1cc(C)nn1-c1nc(-c2ccc(OC)c(OC)c2)cs1 12442224 UBDAHRUDWJRXQN-UHFFFAOYSA-N 414.531 4.696 0 40 HJAB Cc1ccc(N(C(=O)c2nc3nccc(C)n3n2)c2nc3ccccc3s2)cc1C 12807649 RGMDUTASEICLNA-UHFFFAOYSA-N 414.494 4.638 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3Cl)n2C)cc1 13870574 PVHBYZHUYNBPOK-CQSZACIVSA-N 416.934 4.648 0 40 HJAB C[C@@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)c1ccc(Br)cc1 14811966 SPOLSAYBAKZTIV-BRADTZPFSA-N 410.267 4.825 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1sc(-c2cccs2)nc1C 18463316 MRGZABNYSWFFBX-CYBMUJFWSA-N 416.524 4.681 0 40 HJAB CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc(OCc3ccccc3)cc1)C2=O 19327382 PLHBDXRKXUYROR-UHFFFAOYSA-N 418.581 4.763 0 40 HJAB O=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccc(OCc4ccccc4)cc3)c12 19819842 BXZCDLDDZKCFKZ-UHFFFAOYSA-N 412.493 4.554 0 40 HJAB Cc1ccc2nc(C)cc(C(=O)OCC(=O)c3cc(C)n(-c4cc(C)on4)c3C)c2c1 23424094 QRGYTNITJCHBLA-UHFFFAOYSA-N 417.465 4.595 0 40 HJAB Cc1csc(=O)n1CCCC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 23649395 MPEWYJYDXPRWNC-UHFFFAOYSA-N 404.919 4.570 0 40 HJAB COc1ccc(CN(Cc2nc3scc(-c4cccs4)c3c(=O)[nH]2)C2CC2)cc1 23995578 ALAWDWJUVAREQB-UHFFFAOYSA-N 423.563 4.886 0 40 HJAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)Cc1cccc(C(F)(F)F)c1 27296288 JTSIFEOPDUFPDZ-UHFFFAOYSA-N 404.354 4.630 0 40 HJAB CCCCCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1 27746813 AWIVTJZFLOICCY-DEOSSOPVSA-N 410.558 4.831 0 40 HJAB biogenic O=C(Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)c1ccc2c(c1)OCCO2 32610546 RDHCTROBTDSMFS-UHFFFAOYSA-N 417.396 4.566 0 40 HJAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N=C2O)cc1OC 33448570 RHKLMTBEZZYLFD-WOJGMQOQSA-N 423.519 4.886 0 40 HJAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2cccc(OC)c2OC(C)C)cc1 36359984 SDYOJNVDZMDDPO-SFHVURJKSA-N 407.470 4.800 0 40 HJAB C[C@@H](c1nnc(SCc2noc(C(C)(C)C)n2)n1-c1ccc(Cl)cc1)N(C)C 36735337 HVLVPGKXHXERST-LBPRGKRZSA-N 420.970 4.516 0 40 HJAB O=C(Nc1ccc(F)cc1F)C1CCN(Cc2ccc(Br)cc2)CC1 38853596 SMJAENSWWKDNPV-UHFFFAOYSA-N 409.274 4.578 0 40 HJAB O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cnn(Cc2ccccc2Cl)c1 58168760 RCSNSLPOLCTXJM-UHFFFAOYSA-N 412.280 4.676 0 40 HJAB CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC[C@@H]3C(=O)Nc3nccs3)cc2C1 58779512 RYOKLJWBGKMFPV-LSDHHAIUSA-N 417.600 4.599 0 40 HJAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1cnn(Cc2ccccc2)c1C1CC1 62581412 SQXQLJPXTCURDT-UHFFFAOYSA-N 424.504 4.926 0 40 HJAB CC(C)c1ccc(-c2cc3c4nn(Cc5cccc(Cl)c5)c(=O)n4ccn3n2)cc1 67260585 GCCGNNOAVRDTKZ-UHFFFAOYSA-N 417.900 4.636 0 40 HJAB C[C@H](NC(=O)COc1ccc2c(c1)OC(C)(C)CC2=O)c1ccc2ccccc2c1 69740247 OACGEBCCVMBPKM-INIZCTEOSA-N 403.478 4.840 0 40 HJAB Nc1cc(Cl)c(NC(=O)c2ccccc2Br)cc1N1CCCCC1 72229206 RPUYWMVPUHKRIS-UHFFFAOYSA-N 408.727 4.927 0 40 HJAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN(C(=O)CCCc4ccc(F)cc4)C3)ccc12 72374478 QOHWJWYZINLREZ-SFHVURJKSA-N 423.536 4.646 0 40 HJAB COc1ccc(-c2cc(N3CCC[C@@H](C(=O)Nc4ccccc4Cl)C3)ncn2)cc1 77191907 JTMWIFNVPXGGBI-QGZVFWFLSA-N 422.916 4.661 0 40 HJAB Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 78623929 QWHXUZSTRUMLCJ-RSXGOPAZSA-N 412.533 4.791 0 40 HJAB COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)[C@H](C)Sc2nncn2C)cc1 95950641 ZLALESKFPGKNPB-KRWDZBQOSA-N 424.570 4.661 0 40 HJAB Cn1cnnc1-c1ccc(NCc2cn(Cc3ccccc3)nc2C(C)(C)C)cc1 95978117 SXVSDQROAUFRAY-UHFFFAOYSA-N 400.530 4.637 0 40 HJAB CCN(Cc1ccccc1)C(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21 101354205 HWQYWRWWMMAVPZ-UHFFFAOYSA-N 411.505 4.593 0 40 HJAB Cc1ccc(C(C)C)c(OC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1 102531948 TZXPQXKEBGMTJM-BSWISCRUSA-N 415.489 4.649 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(CC)cc1 223085275 UQDFMJPBIFUXBY-OAQYLSRUSA-N 408.586 4.824 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 223140220 JWQJIEBFYDSOPZ-HXUWFJFHSA-N 418.990 4.517 0 40 HJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCC1(c2ccccc2)CCOCC1 223276988 UATYKXLMIQQYBV-DEOSSOPVSA-N 403.522 4.862 0 40 HJAB CC(C)CSc1nnc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)s1 223830618 UXVVAKKZSAHRRK-UHFFFAOYSA-N 404.605 4.770 0 40 HJAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1cccc(C)c1 224112400 IBBGMAYTKYOXQC-UHFFFAOYSA-N 407.466 4.852 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(C)ccc3C)cc2C)cc1 224205189 MHUUBTTXBACFMQ-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 224304863 YVEGISQBTKMQDP-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 224421185 QIDJHKLAOMCCMX-YADHBBJMSA-N 415.497 4.584 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 225615266 AXEBRQDYVFPNMD-INIZCTEOSA-N 421.368 4.868 0 40 HJAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1ccc(OCc2ccccc2)cc1 225723441 BRYNIQIJZFYNOC-UHFFFAOYSA-N 418.880 4.873 0 40 HJAB Cc1cc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)ccc1Br 225739848 GZANLAPCDKLAOS-HNNXBMFYSA-N 418.404 4.885 0 40 HJAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(CCC(=O)N(CCO)C(C)C)ccc3O2)cc1 257213235 CGSFBXFIPFSDIA-MHZLTWQESA-N 423.597 4.908 0 40 HJAB CCOc1ccc(NC(=O)C(=O)c2c(-c3ccc(OC)cc3)cc3ccccn23)cc1 408677037 PLBFBVFTNWYFJQ-UHFFFAOYSA-N 414.461 4.835 0 40 HJAB COc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2cccc(C)c2C)n1 408697741 IXJISUVZKGMCHG-UHFFFAOYSA-N 416.456 4.951 0 40 HJAB O=C(NCc1ccco1)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408981102 ZFSSLTAKIYLSCE-UHFFFAOYSA-N 422.448 4.669 0 40 HJAB COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3c4ccccc4C[C@H]32)cc1OC 409001939 RBQBUVHCLZLIBL-OIBXWCBGSA-N 401.462 4.873 0 40 HJAB CCn1nc(C)c(C(=O)N(C)Cc2c(OCc3ccccc3)ccc3ccccc23)n1 1617857435 KCTJFUIQNLOAEB-UHFFFAOYSA-N 414.509 4.611 0 40 HJAB C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C[C@@H](c1ccccc1)c1ncc[nH]1 1641158083 LQTVMGCCWDGGKA-PBHICJAKSA-N 407.905 4.681 0 40 HJAB O=C(Nc1cccc(O)c1)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 675095 ZASXHAMAXCSOQW-HIFRSBDPSA-N 408.405 4.563 0 40 HJAB Cc1ccc(NCc2nnc(S[C@H](C)C(=O)Nc3ccccc3)n2C)cc1Cl 917277 RAWRGJGXMQNGNJ-CQSZACIVSA-N 415.950 4.508 0 40 HJAB CCc1nc(SCC(=O)Nc2nc3c(s2)CCCC3)c2c(C)c(C)sc2n1 1372146 FDZQJMGAHWQUPQ-UHFFFAOYSA-N 418.613 4.937 0 40 HJAB COc1ccc(C(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)cc1 2140656 HUZZMKCNTGBNSF-UHFFFAOYSA-N 400.430 4.920 0 40 HJAB biogenic CCc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 2442234 RGQAYLDKCZQGNN-UHFFFAOYSA-N 423.929 4.762 0 40 HJAB CCCCSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583228 DWKYMIMIHMHMMY-NRFANRHFSA-N 413.539 4.902 0 40 HJAB COCCn1c(C)cc(C(=O)COC(=O)c2cccc(Oc3ccccc3)c2)c1C 2621816 NRQRYSAXUIZTQJ-UHFFFAOYSA-N 407.466 4.583 0 40 HJAB O=C1c2cc(I)ccc2N[C@@H](c2ccco2)N1c1ccccc1 2744849 AXYWKSJOLBWBQC-QGZVFWFLSA-N 416.218 4.655 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC[C@H](O)CN3CCCCC3)cc12 3253287 DOTSQTBJVVGOCJ-LJQANCHMSA-N 423.509 4.502 0 40 HJAB Cc1ccc2c(CC(=O)O[C@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)coc2c1 3421720 ILKGIWHAVAIJBP-OAHLLOKOSA-N 420.490 4.978 0 40 HJAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnc4sc5ccccc5n34)c2C)no1 3495793 WCUWBZKVYJQNDE-UHFFFAOYSA-N 423.523 4.623 0 40 HJAB Cc1ccc(CN2C(=O)[C@](O)([C@@H](C)C(=O)c3ccccc3)c3cc(Cl)ccc32)cc1 4555178 CGFKVWYQIACLEN-GKVSMKOHSA-N 419.908 4.902 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2Cl)c1C 5985603 JYFTWRUSMHDYQN-UHFFFAOYSA-N 408.951 4.534 0 40 HJAB Cc1ccc(C)c(Sc2ccc(NC(=O)COc3ccc(C(N)=O)cc3)cc2)c1 6290341 UHMOKJBEUKNXRD-UHFFFAOYSA-N 406.507 4.571 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COc1ccc(Cl)cc1Cl 7823606 QFQNXEDWLDZTIL-UHFFFAOYSA-N 418.324 4.550 0 40 HJAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)CC2=O)c1 7881857 DMPILXZQSRRUNO-GOSISDBHSA-N 416.477 4.788 0 40 HJAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1ccc(Cl)cc1F 7985384 ITADZQSQANOWBY-UHFFFAOYSA-N 405.669 4.559 0 40 HJAB Cc1cccc(-n2c(-c3ccccc3)nn(CC(=O)NCc3ccccc3)c2=S)c1 8415040 VOQJXFSDZFIYTC-UHFFFAOYSA-N 414.534 4.695 0 40 HJAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(Br)cc4)cc3n2)cc1 9906401 BICUBRGDMNDAHU-UHFFFAOYSA-N 421.298 4.998 0 40 HJAB CCCOc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1OCC 10041063 KDXTTXJAHNPXIP-UHFFFAOYSA-N 421.287 4.676 0 40 HJAB Cc1nc2ccc(NC(=O)CCC(=O)c3ccc(Br)cc3)cc2s1 10784104 FJPUAUONWMMBRX-UHFFFAOYSA-N 403.301 4.969 0 40 HJAB Cc1cccc(C(=O)N[C@@H](C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)C(C)C)c1 11072717 IJKIJRCBWYOPLY-XMMPIXPASA-N 415.537 4.547 0 40 HJAB CC[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 11738341 MTKYUFYNYVHGBX-SYZXBLONSA-N 410.945 4.859 0 40 HJAB O=C(Nc1ccc(Br)cc1)c1nccnc1-c1nc2ccccc2s1 12757860 TUYCMDAEWJZVRO-UHFFFAOYSA-N 411.284 4.768 0 40 HJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CNC(=O)c1ccc(Cl)cc1Cl 12797444 VOOYFMDVNWRGCE-NSHDSACASA-N 422.337 4.553 0 40 HJAB Cc1cc(=O)oc2cc(OCC(=O)Nc3c(Cl)cccc3C(F)(F)F)ccc12 12897400 MELPGJGISKMRLG-UHFFFAOYSA-N 411.763 4.791 0 40 HJAB Cc1ccccc1NC(=O)[C@@H](C)Sc1ccccc1C(=O)OCC(=O)C(C)(C)C 12906422 CVMPUKHHJQLVDA-MRXNPFEDSA-N 413.539 4.886 0 40 HJAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 12910622 QJDAZIJZHYCWOA-LJQANCHMSA-N 424.497 4.782 0 40 HJAB O=C(O)C1CCN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CC1 14119223 WLSZZWQBPVXJQI-UHFFFAOYSA-N 400.887 4.554 0 40 HJAB O=c1c(Cl)c(Nc2cc(Cl)ccc2O)cnn1C12CC3CC(CC(C3)C1)C2 16385207 XYQVAYBEHRBCRA-UHFFFAOYSA-N 406.313 4.925 0 40 HJAB C[C@@H]1CCCCN1c1ccc2cccc(OCC(=O)N3CCc4ccccc43)c2n1 17245306 NXVKRVGFSVVOOR-GOSISDBHSA-N 401.510 4.582 0 40 HJAB CCOc1ccc(COC)cc1CN1CCC(c2cc(-c3cn[nH]c3)cc(C)n2)CC1 19692134 UIQYCWWNPVUSKN-UHFFFAOYSA-N 420.557 4.705 0 40 HJAB Cc1ccccc1C(=O)NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20151505 WIMRFGIUTDVQOP-UHFFFAOYSA-N 400.887 4.528 0 40 HJAB Cc1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 22274122 OSLHAUOSWXTUEG-UHFFFAOYSA-N 422.550 4.952 0 40 HJAB O[C@]1(c2ccc(Br)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 22408760 VNRPPJYUYHDGOM-FQEVSTJZSA-N 420.758 4.753 0 40 HJAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 22666427 PPOWGEWWKWRLLY-UHFFFAOYSA-N 420.534 4.643 0 40 HJAB Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccccc2)cc1Cl 23125444 JOEMIQBDAWZJRR-UHFFFAOYSA-N 420.943 4.787 0 40 HJAB O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccc(Nc2ncccn2)c1 24857046 MUDRFDOABAOCCC-UHFFFAOYSA-N 415.478 4.786 0 40 HJAB Cc1ccc(C)c(NC(=O)CN2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1 26456721 IFLZVECQQYXYOI-IBGZPJMESA-N 420.340 4.652 0 40 HJAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N[C@H](C)c1cccc2ccccc12 28959301 WZZAFQUDMHFJBC-QGZVFWFLSA-N 411.505 4.709 0 40 HJAB Cc1nnc2sc(-c3cccc(NC(=O)C4(c5ccccc5)CCCC4)c3)nn12 30822848 KYUNLJGDGSXKTO-UHFFFAOYSA-N 403.511 4.612 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccnc1Sc1ccccc1 32810742 XYNHDYMMPRSKAV-UHFFFAOYSA-N 414.534 4.750 0 40 HJAB CCOc1ccc(-n2c(N)c(C(=O)Nc3cccc(OC)c3)sc2=S)cc1 39994414 UPNPLOJHRNQESH-UHFFFAOYSA-N 401.513 4.510 0 40 HJAB CN(C)c1ccc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1 48340187 JFUDETYNVDKMLD-QGZVFWFLSA-N 400.573 4.544 0 40 HJAB Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(Br)c1 51364571 LANJSGYDPUPHGZ-MRXNPFEDSA-N 423.310 4.916 0 40 HJAB O=c1c(Cl)c(NCc2ccc(Oc3ccccc3)nc2)cnn1-c1ccccc1 60333603 MUWZHMVDBGGVKY-UHFFFAOYSA-N 404.857 4.685 0 40 HJAB CCOCCCn1c(SCc2ccc(F)cc2Cl)nc2ccccc2c1=O 67259184 HRHZPRPOROOERH-UHFFFAOYSA-N 406.910 4.908 0 40 HJAB Cc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c1C 67292794 RTNGHMZMBIZJET-RHGYLGJDSA-N 410.901 4.844 0 40 HJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(F)ccc2F)nc1 67294318 NGHSADMBGWADGQ-ROMGYVFFSA-N 407.376 4.605 0 40 HJAB N=c1c2c(ncn1CCCO)Oc1ccc3ccccc3c1[C@H]2c1ccc(Cl)cc1 101357306 ZDSPXWZESUTQQI-HXUWFJFHSA-N 417.896 4.837 0 40 HJAB O=C(CSCc1ccccc1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207014426 GYQQAGAKSCGWHJ-KRWDZBQOSA-N 413.568 4.513 0 40 HJAB CC[C@@H](NC(=O)CCCN1C(=O)c2cccc3cccc1c23)c1ccc(OC)cc1 219470884 VOLMBZSXTGFBQN-OAQYLSRUSA-N 402.494 4.856 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)c(Br)c3)N21 222666024 UQRZEEXTNILNPM-FSPWUOQZSA-N 418.360 4.832 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 224020161 DUHBAEGIKPEOBH-QGZVFWFLSA-N 400.950 4.605 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 224228549 IBQMMSRUVJEMDI-MRXNPFEDSA-N 421.368 4.725 0 40 HJAB COc1ccc2cc(S(=O)(=O)Nc3ccc(Br)c(C)c3)ccc2c1 224360938 WYJLKMMZKIGGOQ-UHFFFAOYSA-N 406.301 4.720 0 40 HJAB O=C1CCCN1c1cccc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)c1 225647259 VNPSIPMRWACGHD-UHFFFAOYSA-N 409.555 4.621 0 40 HJAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 244933074 BZWUGBYHEUFPJV-GOSISDBHSA-N 406.869 4.726 0 40 HJAB CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)C2CCC2)CC1 257288410 PUBMPKYODKKQDM-UHFFFAOYSA-N 418.581 4.750 0 40 HJAB CC(C)CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc5c(c4)OCCO5)OCC[C@@]31C2 257320146 VVOKPZWRLHXAEG-VJNJQGDRSA-N 413.558 4.503 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)N4CCCCC4)cc3c2)cc1 408712905 APESIMRRYMMRNA-UHFFFAOYSA-N 414.552 4.637 0 40 HJAB COC(=O)C(=Cc1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1)C(=O)OC 409046644 KVJVXWMFNUNLAQ-UHFFFAOYSA-N 409.265 4.610 0 40 HJAB Brc1cccc(N2CC[C@@H](CN[C@@H]3CCCNc4ccccc43)C2)c1 576622722 SFGATJSDQCHCSA-HRAATJIYSA-N 400.364 4.812 0 40 HJAB O=C(c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)N1CC[C@H](c2cc(O)n[nH]2)C1 1639639547 FQKIJQFGTUAQTL-LBPRGKRZSA-N 420.271 4.858 0 40 HJAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCc1cccs1 646569 KVODDVFACIIMHU-UHFFFAOYSA-N 415.487 4.694 0 40 HJAB CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCC(=O)NC(C)(C)C 679388 QQDFSZHKYZEPCX-UHFFFAOYSA-N 420.937 4.653 0 40 HJAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 874535 ZUUQNIIVZWSGDK-UHFFFAOYSA-N 421.497 4.968 0 40 HJAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)N3c4ccccc4C[C@@H]3C)n12 929712 UBNYMPPMGWOXDR-KRWDZBQOSA-N 416.550 4.878 0 40 HJAB Cc1c(/N=C/C=C2/C=C(c3ccccc3)OC(C)(C)O2)c(=O)n(-c2ccccc2)n1C 1094570 ONWSOSIUXMETCZ-LMZSMFKYSA-N 415.493 4.895 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@H](c3cc4cc(C)ccc4nc3Cl)C2)cc1OC 1303229 KOCXKEPFXWGFPN-FQEVSTJZSA-N 423.900 4.911 0 40 HJAB CCN(CC)CCNc1cc(-c2ccccc2)nc2cc(-c3ccc(OC)cc3)nn12 1341317 DUWCVIBEUGJCJU-UHFFFAOYSA-N 415.541 4.826 0 40 HJAB C[C@]1(c2ccc3noc(-c4ccc(F)cc4)c3c2)NC(=O)N(c2ccccc2F)N1 1401679 NTCAYMOFZYSJNO-QFIPXVFZSA-N 406.392 4.680 0 40 HJAB Cc1cc(C)c(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c(C)c1 1787547 WRQNOHUINRSBEF-UHFFFAOYSA-N 403.507 4.689 0 40 HJAB COCCNc1nc(SCc2ccccc2)nc2sc3c(c12)CC(C)(C)OC3 2368590 UGOUWIZECITCLG-UHFFFAOYSA-N 415.584 4.893 0 40 HJAB Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccccc2)cc1Cl 2643313 DFHKZOUZDRVELF-QFIPXVFZSA-N 404.897 4.854 0 40 HJAB O=C(O)c1ccccc1N1C(=O)c2cccc3c(C(=O)c4ccccc4)ccc(c23)C1=O 3292396 FTMANKHBLRORAL-UHFFFAOYSA-N 421.408 4.570 0 40 HJAB CCOC(=O)c1c(NC(=O)CSc2ccccc2Cl)sc(C(C)=O)c1C 3380540 NSQNJUXLPNGHMF-UHFFFAOYSA-N 411.932 4.820 0 40 HJAB C[C@H](NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1 3513569 HUWHFHYJGKDICJ-INIZCTEOSA-N 421.880 4.605 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c1 4364343 RGCBHWZLQOIEBG-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB CCCCOc1c(Cl)cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc1OC 4670670 QZXSEBGWWBDXKG-PDGQHHTCSA-N 415.873 4.881 0 40 HJAB Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1-c1cccc(F)c1 5030800 ULHLXVOHJGSOTI-UHFFFAOYSA-N 412.424 4.652 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2c(F)cccc2Cl)cc1 5240092 JKGRQWDOWMATIA-UHFFFAOYSA-N 407.832 4.739 0 40 HJAB O=C(c1ccc(OC(F)F)cc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 5936757 ZPHSAGVYUHEQMJ-OAHLLOKOSA-N 404.438 4.724 0 40 HJAB Cc1cnc(C(=O)Nc2nc(-c3cc(C)n(Cc4ccccc4)c3C)cs2)cn1 5938079 IFHVZFOVODCXEX-UHFFFAOYSA-N 403.511 4.627 0 40 HJAB CC(C)[C@H](NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1nc2ccccc2[nH]1 8013503 BSCBUWLXMHGNNQ-NRFANRHFSA-N 416.529 4.893 0 40 HJAB CSc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc1 8846053 FBUIPURWIQUHFC-OAQYLSRUSA-N 414.486 4.655 0 40 HJAB Cc1ccc([C@@H](NC(=O)CSc2nnc(C3CC3)n2C2CC2)c2cccs2)cc1 8936385 CREUCENJRLIAMA-HXUWFJFHSA-N 424.595 4.858 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 9309896 DVZXRJRVZNKPLK-UHFFFAOYSA-N 422.897 4.978 0 40 HJAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)cc1OC 9404029 DRKUUUOESUMHBD-UHFFFAOYSA-N 421.931 4.607 0 40 HJAB Cc1cccc(NC(=O)Nc2nc(CC(=O)NCc3ccccc3Cl)cs2)c1 9625466 QBSARHKCVHLAMF-UHFFFAOYSA-N 414.918 4.608 0 40 HJAB Cc1ccc(NC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)cc1 10324490 FATFVUXALQNROR-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB CCOc1cc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc(OCC)c1OCC 12912889 DIALCHHNMQWHJL-FQEVSTJZSA-N 413.514 4.869 0 40 HJAB COc1ccc(-c2nc(NC(=O)c3cccc(CN4CCCC4=O)c3)sc2C)cc1 12996368 JWPQPYVSLCBXEM-UHFFFAOYSA-N 421.522 4.502 0 40 HJAB O=C(Nc1ccnn1Cc1ccccc1Br)c1ccc(OC(F)F)cc1 13003916 ZFCZEFNJXPAPOT-UHFFFAOYSA-N 422.229 4.548 0 40 HJAB O=C(CSc1nnc(NCc2ccccc2)s1)c1ccc(Br)cc1 13141012 BCYRPMVLGOQCMI-UHFFFAOYSA-N 420.357 4.888 0 40 HJAB COc1cc(Cl)ccc1OCCCN1CCN(c2nsc3ccccc23)CC1 13692250 XFCQJMSSCJLBTK-UHFFFAOYSA-N 417.962 4.549 0 40 HJAB O=c1c(Oc2ccccc2Br)coc2c3c(ccc12)OCN(C1CC1)C3 13723380 NKJXLJDLEBPEAA-UHFFFAOYSA-N 414.255 4.662 0 40 HJAB biogenic CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2ON1c1ccccc1 13752266 NJBXYNKCLWDUAR-AWDZXFJFSA-N 406.526 4.890 0 40 HJAB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cccc(C)c1 13841876 YMKJSDOOUBTACV-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB CCOP(=O)(OCC)c1nc(Cc2ccccc2)oc1NCCc1ccccc1 16752543 ANBFPRCQUXYFNT-UHFFFAOYSA-N 414.442 4.811 0 40 HJAB CCN1CCN(c2ccc(NC(=O)c3ccc(OCC(C)C)cc3)cc2Cl)CC1 17090458 VWZHHMWJIXCMSC-UHFFFAOYSA-N 415.965 4.769 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccccc2)c1 17250225 QWBDMZVAQTXDGP-UHFFFAOYSA-N 418.522 4.660 0 40 HJAB Cc1ccc(C2(CN3CCC(NC(=O)C4CCC(=O)CC4)CC3)CCCCC2)cc1 19208537 JDQNUCZWTKRTBY-UHFFFAOYSA-N 410.602 4.537 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)C[C@@H]3CC(C)(C)OC3=O)CC2)n1 19691233 YONMOQBEPSCOIA-HXUWFJFHSA-N 424.516 4.634 0 40 HJAB COc1ccccc1OCc1cc([C@H]2CCN(Cc3cccc4ncccc34)C2)n[nH]1 19704358 KJSYWQVRJBIKGW-IBGZPJMESA-N 414.509 4.535 0 40 HJAB O=c1oc2ccccc2n1CCSc1nnc(-c2ccco2)n1C1CCCCC1 26012960 DVSYXSIXHIMJFV-UHFFFAOYSA-N 410.499 4.744 0 40 HJAB CC(C)c1cc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c2ccccc2n1 26369263 MEOJYPDSMLPNBJ-UHFFFAOYSA-N 404.438 4.607 0 40 HJAB Cc1ccc(CCC2CCN(C(=O)CCc3nnc(-c4ccccc4)o3)CC2)cc1 29423062 BDGXBYVUTIZPEC-UHFFFAOYSA-N 403.526 4.849 0 40 HJAB COc1ccc(CN(C)C(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 30946102 QGTFZXOYXNOATN-QGZVFWFLSA-N 421.368 4.873 0 40 HJAB COC(=O)c1cc(NC(=O)c2cc(Br)ccc2Cl)ccc1Cl 31055099 GRSZDFRSHREEKK-UHFFFAOYSA-N 403.059 4.795 0 40 HJAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 33570570 YCPROLJDXVMZKK-ROUUACIJSA-N 418.493 4.592 0 40 HJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc1O2 36705415 GYQJVNGYRHYYOY-UHFFFAOYSA-N 403.394 4.726 0 40 HJAB C[C@@H]1CCCC[C@H]1N1C(=O)[C@@H](CC(=O)Nc2ccccc2)n2c1nc1ccccc12 39964056 ARQJGEPDWWYSNZ-OZOXKJRCSA-N 402.498 4.532 0 40 HJAB CCCn1c2ccccc2c2nnc(SCc3nc(-c4ccccc4)no3)nc21 40066733 IWHOOMNFBUCISH-UHFFFAOYSA-N 402.483 4.732 0 40 HJAB COc1ccc([C@@H](NC(=O)c2cc(C)nc3c2c(C)nn3C(C)(C)C)C2CC2)cc1 48290839 PEVQRRPVVWVBNN-NRFANRHFSA-N 406.530 4.693 0 40 HJAB Cc1ccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1Cl 57317228 OBNUOHOEYZHFLR-UHFFFAOYSA-N 421.221 4.821 0 40 HJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NCCOc2ccc(C(F)(F)F)cc2)c1 59309299 GARPONCUYBQVKD-UHFFFAOYSA-N 424.419 4.861 0 40 HJAB CCN(C(=O)C1CCN(C(=O)OCC(C)C)CC1)[C@H](Cc1ccc(F)cc1)C(C)C 72303434 KMJMJFVZKPIGMI-JOCHJYFZSA-N 420.569 4.746 0 40 HJAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2cccnc2)nc2ccccc12 72401575 BWEAJYXNQLOKTL-UHFFFAOYSA-N 412.449 4.516 0 40 HJAB O=C(O)c1ccc([C@@H]2SCC(O)=Nc3c2c(O)nn3C2CCCCCC2)cc1 79491578 KXGKZFBQOAVYSF-KRWDZBQOSA-N 401.488 4.606 0 40 HJAB COCc1cccc(OCC2(CSc3nnc(NCC(F)(F)F)s3)CC2)c1 89420361 GNDQLKPPSYBOJT-UHFFFAOYSA-N 419.494 4.610 0 40 HJAB O=C(Nc1cccc(Cl)c1)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1 96037668 BPIHAYNYAQUFCR-UHFFFAOYSA-N 421.932 4.861 0 40 HJAB CC(C)n1c(CCCNC(=O)CC2(n3cccc3)CCSCC2)nc2ccccc21 96223960 VJLUKRISCVLVDS-UHFFFAOYSA-N 424.614 4.780 0 40 HJAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCc5ccc6c(c5)OCO6)(C4)C2)C3)cc1 103135569 KYLVRFIATJXRTM-JKRLWXMKSA-N 419.521 4.578 0 40 HJAB CSc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 113942415 AZLRHTSDVCDCFV-UHFFFAOYSA-N 418.584 4.534 0 40 HJAB O=C(CCc1ccccc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 196393655 OVDCKAUNMKUJBV-UHFFFAOYSA-N 402.513 4.692 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C(C)C 223532266 WQVZSPLDMJPPLA-FCHUYYIVSA-N 405.571 4.649 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 223759797 BPZSPORFMFPCEG-QGZVFWFLSA-N 418.990 4.517 0 40 HJAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)c1 224519006 YRRKNYAAVBSSFK-QZTJIDSGSA-N 401.944 4.982 0 40 HJAB COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225268142 JOJDVFBEXXXJQG-INIZCTEOSA-N 400.544 4.771 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCSCc2cccc(C)c2)c1C 225338428 LGCGTOFTMLTMLM-UHFFFAOYSA-N 402.585 4.700 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)N[C@@H](C)CC)cc1 225411651 PJJSWWTYFPNLKV-PMACEKPBSA-N 424.585 4.522 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C 225455378 VIJLCGXVFXOLJB-RTWAWAEBSA-N 424.585 4.563 0 40 HJAB Cc1cc(Br)cc(C)c1NC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C 226093813 BTZOQAXIJKERLT-CYBMUJFWSA-N 411.299 4.750 0 40 HJAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)cc1Cc1c(C)noc1C 257256796 KMYXSGOJQKRJSP-RWEKXLEMSA-N 411.542 4.766 0 40 HJAB COc1ccccc1CNC(=S)c1ccc(OCc2ccc(F)cc2)c(OC)c1 408571206 ADIQSCZTWNTSJD-UHFFFAOYSA-N 411.498 4.887 0 40 HJAB CC1CCN(c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2Cl)CC1 408624220 BRZGQVIUBZBZDS-UHFFFAOYSA-N 401.963 4.632 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 408701847 HAGXNRFYGNFKDS-UHFFFAOYSA-N 414.571 4.683 0 40 HJAB Cc1cccc(NCN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)c1 408719651 NYYPVFDGDNEPTQ-MHWRWJLKSA-N 403.301 4.863 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3ccccc3)n2CC(C)C)c1 409098017 OQNBMNKEVLYXAU-UHFFFAOYSA-N 408.571 4.873 0 40 HJAB CCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1OC 409370527 SIGXTFXEYLZODJ-LJQANCHMSA-N 402.516 4.642 0 40 HJAB O=C(NC[C@H]1CCN(C2CC2)C1)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 503290843 XZWYTUAMXDIOIY-VFNWGFHPSA-N 419.352 4.714 0 40 HJAB Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCC(c3ccc(O)cc3)CC1)O2 1137344566 SONHUXPLQXCCRV-RUZDIDTESA-N 409.526 4.513 0 40 HJAB Cc1cnc(Nc2cccc([C@H]3CN(C(=O)CCC4CCCCC4)CCO3)n2)s1 2037834816 SUQBOOCAPBBZKN-LJQANCHMSA-N 414.575 4.851 0 40 HJAB COc1cccc(CNc2ccc3c(c2)C2(CCOCC2)C(=O)N3c2ccoc2)c1 2055795944 XLBGMHJFXJTRSV-UHFFFAOYSA-N 404.466 4.627 0 40 HJAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C[C@@H]1Oc1ccccn1 2332242649 FQICLJDPZPTCTB-MQFRRQCYSA-N 422.960 4.771 0 40 HJAB COc1ccc(NC(=O)CSc2nnc3scc(-c4ccc(C)cc4)n23)cc1 937503 ZQEVJEXNGQPUNV-UHFFFAOYSA-N 410.524 4.506 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2nc(-c3ccccc3)nc2N1 949447 HSIRKTQTXZOXRC-QFIPXVFZSA-N 407.477 4.873 0 40 HJAB COc1ccc(-c2cc(=O)oc3c(C)c(O[C@@H](C(=O)O)c4ccccc4)ccc23)cc1 2115107 BWTANHLMTGIUBP-XMMPIXPASA-N 416.429 4.982 0 40 HJAB biogenic COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2C)ns1 2917597 DRXUPRCQOWVYLK-UHFFFAOYSA-N 405.932 4.906 0 40 HJAB O=C(NCc1ccc2c(c1)OCO2)c1csc(Nc2cccc3ccccc23)n1 4675279 KKJLLVHVMYMHCU-UHFFFAOYSA-N 403.463 4.699 0 40 HJAB COc1cc(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc(Cl)c1OC 4799779 MSIZCADYCRWORV-LBPRGKRZSA-N 401.846 4.575 0 40 HJAB Cc1ccc(Cn2c(=O)n(Cc3ccccc3)c(=O)c3c4c(sc32)CCCC4)cc1 4877796 CSWAVYSOKXVGJZ-UHFFFAOYSA-N 416.546 4.509 0 40 HJAB c1ccc(CC2CCN([C@H](c3ccncc3)c3nnnn3C3CCCCC3)CC2)cc1 4925511 PNJXCCJIASGSOT-XMMPIXPASA-N 416.573 4.617 0 40 HJAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(C(C)=O)cc4)sc3n2)cc1 4931014 NBACLWDYTUANRK-UHFFFAOYSA-N 405.479 4.835 0 40 HJAB CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCC(=O)OC1CCCCC1 4996711 MUAVJQMZQZZVSX-UHFFFAOYSA-N 422.982 4.840 0 40 HJAB O=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)Nc1cccnc1Cl 5990138 VZZJIISOYDDURH-IBGZPJMESA-N 412.898 4.750 0 40 HJAB CCCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 6656665 SJZMGGARGHHORO-QFIPXVFZSA-N 417.513 4.693 0 40 HJAB O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCN(c2ccccc2)CC1 7367105 AOMVDLAPZNDOAS-UHFFFAOYSA-N 406.913 4.881 0 40 HJAB Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccs2)N(c2ccc(C(=O)O)cc2)C3=O)cc1 8024956 PNEXNZXBYMKFHQ-OAQYLSRUSA-N 415.474 4.895 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)c3ccc4ccccc4c3)o2)c(OC)c1 8131025 KSPIPRSTHCETKL-UHFFFAOYSA-N 406.463 4.882 0 40 HJAB Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(Cl)c2)c1 8188998 GNQZQBNIDZARKH-UHFFFAOYSA-N 400.887 4.980 0 40 HJAB Cc1ccc(OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(Br)c1 8428067 DRNWHQCQUBGOCN-UHFFFAOYSA-N 414.303 4.578 0 40 HJAB CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCC(C)CC1 8428661 CWQYVFGCMGABDK-UHFFFAOYSA-N 420.962 4.916 0 40 HJAB Fc1ccccc1COc1ccc(Br)cc1CNCc1ccccn1 8435785 QTLJHTUUQFRRTL-UHFFFAOYSA-N 401.279 4.852 0 40 HJAB COc1cc(CNC[C@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 8497900 DYCBZWDWXUIEPR-NSHDSACASA-N 404.721 4.705 0 40 HJAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N(C)CCOc1ccc(Cl)cc1 8532520 PYXAEYSQBNJGHT-ZDUSSCGKSA-N 400.828 4.697 0 40 HJAB COc1cc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc(OC)c1OC 8725518 VRQHWKRDCROOMZ-UHFFFAOYSA-N 417.465 4.612 0 40 HJAB O=C(CCc1nc(-c2cccs2)no1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8774328 MVZFZRAYSPAVET-CQSZACIVSA-N 424.551 4.747 0 40 HJAB O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NC1CCCCCC1 9784948 BPIYXCYNJPFGHP-UHFFFAOYSA-N 406.939 4.822 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 9879401 IQUDCWUNPXUEFU-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB COc1ccc(C(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)c(OC)c1 11134374 MAXPAKHFMRVJNV-XMMPIXPASA-N 424.424 4.808 0 40 HJAB Cc1cc(C[C@@H]2COC[C@H]2N(CCCc2ccccc2)Cc2ccc(F)cc2)on1 12366515 HEFZOYAZDUOBKW-RCZVLFRGSA-N 408.517 4.815 0 40 HJAB CCCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC 12604136 XPGMXTFDLZMGBZ-VSFZPWCASA-N 405.498 4.737 0 40 HJAB CN(CCOc1ccccc1Cl)Cc1cc(=O)oc2cc(Br)ccc12 12854247 JIVYJAHXMXNBIE-UHFFFAOYSA-N 422.706 4.720 0 40 HJAB O=C(Nc1cccc(NC(=O)c2cccnc2SCC(F)(F)F)c1)c1ccco1 12944454 YJJJBXHNPMFYMH-UHFFFAOYSA-N 421.400 4.834 0 40 HJAB C[C@H]1CCCC[C@@H]1NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 13579433 NHHILIHHXWJECQ-KZCPSJLXSA-N 401.510 4.634 0 40 HJAB CCN(c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)S(C)(=O)=O 13678743 BCMNCDMDDUKODA-UHFFFAOYSA-N 410.495 4.517 0 40 HJAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(I)cc2C)c1 13710597 FMNONFSTUCNCKJ-CQSZACIVSA-N 409.267 4.622 0 40 HJAB CC(C)OC(=O)c1ccc(NC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)cc1 14229481 XJJVTTPTJPXMTK-ALOPSCKCSA-N 405.585 4.803 0 40 HJAB O=C1CN(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2N1 15911990 YSKTYFQXJAGLKB-AATRIKPKSA-N 414.305 4.723 0 40 HJAB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)o2)c([N+](=O)[O-])c1 16410026 XHMIXEMIAGMENF-YHZJOHHESA-N 417.421 4.648 0 40 HJAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 17090044 QWKGFNCIINFAFT-UHFFFAOYSA-N 414.534 4.897 0 40 HJAB CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 17091346 MBVGCNINTMHGPU-UHFFFAOYSA-N 418.316 4.726 0 40 HJAB COc1cccc([C@H]2CN(C(=O)C(C)(C)C)[C@@H]3CCN(Cc4ccsc4)C[C@H]23)c1 19081665 IHGIQPCOSJWUCV-YPAWHYETSA-N 412.599 4.619 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CCC2)C1 19449083 ADMMQDIXJIQGEX-XMMPIXPASA-N 410.583 4.501 0 40 HJAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Br)cc2)cc1Cl 20030004 OKKRUUIRTUJKBX-LLVKDONJSA-N 418.740 4.541 0 40 HJAB CCOc1ccccc1CNC(=O)COc1ccc(C(C)(C)C)cc1Br 20482107 VSYBQPYNUNNJKF-UHFFFAOYSA-N 420.347 4.841 0 40 HJAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3s2)c1 22883578 GXRXEFMUCMHPEE-UHFFFAOYSA-N 422.531 4.979 0 40 HJAB Cc1cccc(-n2c(S[C@@H](C)c3nc(C(C)(C)C)no3)nc3ccccc3c2=O)n1 24755896 JKPZDFRIICNMHT-AWEZNQCLSA-N 421.526 4.623 0 40 HJAB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4O)CC3)c3ccccc3n2)cc1 24772939 MAGCEKODHPRBEH-UHFFFAOYSA-N 423.516 4.878 0 40 HJAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N2CCC(CCc3ccc(C)cc3)CC2)cc1 24925927 GMZDVNYKJBYFNH-IBGZPJMESA-N 407.558 4.625 0 40 HJAB CC(=O)N(c1nnc(SCCOc2ccc(Cl)cc2Cl)s1)C1CC1 25362108 DWPLEMLXNXZEMI-UHFFFAOYSA-N 404.344 4.531 0 40 HJAB Cc1nc(C)c(-c2nnc(SCc3noc(-c4ccc(Cl)cc4)n3)o2)s1 28190455 PMFMOYNYWVAKHO-UHFFFAOYSA-N 405.892 4.806 0 40 HJAB Cc1cccc(C)c1OCC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 28288525 IKSNZCPOJVZWAB-UHFFFAOYSA-N 400.931 4.818 0 40 HJAB Cc1c(C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCOCC2)oc2ccc(F)cc12 28291632 YIHAIIMOXPTASR-JOCHJYFZSA-N 424.516 4.807 0 40 HJAB Cc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1C 29691650 HDLYGLRZSXGRKF-UHFFFAOYSA-N 401.462 4.535 0 40 HJAB CC(=O)[C@@H](CN(C(C)C)C(C)C)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841669 OUEQETVIEFWKSK-GGAORHGYSA-N 421.537 4.955 0 40 HJAB COc1ccc(CC(=O)Nc2ccccc2SCC(F)(F)F)c(OC)c1OC 32900582 NHMSZEFGRNWXKC-UHFFFAOYSA-N 415.433 4.548 0 40 HJAB Cn1nc(-c2ccccc2)cc1C(=O)NCC1CCC(c2nc3ccccc3[nH]2)CC1 38671633 IEKUAGBEYTWRPH-UHFFFAOYSA-N 413.525 4.667 0 40 HJAB CC[C@H](C(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 40108861 XQEKIXIXPGJZGO-NRFANRHFSA-N 408.523 4.928 0 40 HJAB COc1ccccc1OCc1ccc(C(=O)Nc2cc(C)nn2Cc2ccccc2)o1 40132774 PWFGPVAIVYJWLR-UHFFFAOYSA-N 417.465 4.673 0 40 HJAB CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 44932165 NJPUMDCCHBCZBP-HXUWFJFHSA-N 400.950 4.656 0 40 HJAB C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)c1ccccc1 46078937 DEUNMNRZWBSGTA-QGZVFWFLSA-N 402.469 4.910 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCCN1CCCC[C@@H]1C 48236769 KIMUKFSJTQCZTO-AWEZNQCLSA-N 407.917 4.827 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1cc(-c2nc(C3CC3)no2)ccn1 49405454 AQSUKLZUMBNQEK-UHFFFAOYSA-N 400.891 4.702 0 40 HJAB CCOc1c(Br)cc(Br)cc1CNCc1cccs1 57942892 CANAPCDGVFAJPO-UHFFFAOYSA-N 405.155 4.962 0 40 HJAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1Cc1cn2ccsc2n1 70003729 AUFUQOVOBRTWJR-MRXNPFEDSA-N 409.342 4.696 0 40 HJAB Cc1ccc2[nH]nc(C(=O)N3CC[C@H](c4cc(Cc5ccccc5)cc(C)n4)C3)c2c1 72374821 SCAVLYJWUXZBHN-NRFANRHFSA-N 410.521 4.795 0 40 HJAB CC(C)c1ccccc1O[C@@H](C)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 95482330 VFBMSFVXGCQXHR-HNNXBMFYSA-N 413.905 4.939 0 40 HJAB COCc1nc(NC[C@@H](O)c2ccc(F)cc2)c2c(-c3ccccc3)csc2n1 95957737 GOKREZOYALXMLA-GOSISDBHSA-N 409.486 4.789 0 40 HJAB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@@H]1CCCN1c1nccs1 96997985 CJRUPCFAXWZXCO-LBPRGKRZSA-N 420.254 4.532 0 40 HJAB COc1ccc(OC)c(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c1 102181404 ZUYNVKNNQDTQKM-RCRDTURJSA-N 408.336 4.766 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 223229617 PIUGAUQPDTZPLI-SFHVURJKSA-N 400.950 4.525 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 223314570 GTLIREUXXWWJQY-FQEVSTJZSA-N 421.368 4.706 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1Cc1cccnc1 223474361 JWEDYNKPXJFOJW-PKTZIBPZSA-N 412.518 4.909 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 223792845 AHNLRLLRQRVBJV-HXUWFJFHSA-N 424.610 4.872 0 40 HJAB CCN(c1ccc(C(=O)Nc2cc(C)ccc2C)cc1)S(=O)(=O)c1ccccc1 224353968 QLVCIKUSXWTMIR-UHFFFAOYSA-N 408.523 4.771 0 40 HJAB COc1ccc(C)cc1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224887462 NGOJXYJMBKPZOT-UHFFFAOYSA-N 415.287 4.992 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1 225335292 UXOZWOSCCXMRGH-UHFFFAOYSA-N 407.520 4.981 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 225543605 WCFITJKODVSSAB-QPPBQGQZSA-N 424.585 4.713 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 225634747 QOEAEVGNOBVMSE-PGRDOPGGSA-N 414.977 4.913 0 40 HJAB CCCO[C@@](C)(C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1)C1CC1 225672233 BWGUMYLBEUQVIQ-YDIMBITNSA-N 402.579 4.577 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)c1 225791072 SIRNOPAVWOISJY-QGZVFWFLSA-N 400.544 4.542 0 40 HJAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(CC(=O)N4CCC(CO)CC4)ccc3O2)cc1 257278191 OBFUTLWWNPLYGK-MHZLTWQESA-N 421.581 4.520 0 40 HJAB O=C(c1ccccc1F)N1CCC[C@H](c2nc3ccc(-c4cccs4)cn3n2)C1 306126383 DUGUPGRIQPOWTD-INIZCTEOSA-N 406.486 4.617 0 40 HJAB O=C(CN1CCCCCC1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 408581011 FYQPKRCCPUCFTL-UHFFFAOYSA-N 411.571 4.694 0 40 HJAB O=C(NC1CCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704898 VHGIGQGYYGOGAJ-QFIPXVFZSA-N 414.958 4.787 0 40 HJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 408705532 ICGYRMRTVWCWKY-MAIVGLDJSA-N 406.570 4.609 0 40 HJAB CCCc1sc2nc(SCC(=O)OC)n(-c3ccc(C)c(C)c3)c(=O)c2c1C 409118017 OQNKYXVIXOOQNS-UHFFFAOYSA-N 416.568 4.590 0 40 HJAB COc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)c(C(N)=O)sc3n2)cc1 862987 FWAGZPTYFIVMBY-UHFFFAOYSA-N 409.898 4.973 0 40 HJAB Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=S)NCC(C)C)c(=O)[nH]c12 875341 UEIFRWBPHGFBTG-UHFFFAOYSA-N 411.546 4.508 0 40 HJAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccccc2Cl)cc1 2193721 LPTHRGBRWRVDOW-UHFFFAOYSA-N 406.869 4.805 0 40 HJAB CC(C)COC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 2246395 CZYDYHNEGOYYKN-UHFFFAOYSA-N 408.889 4.681 0 40 HJAB C[C@@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)N1CCCc2ccccc21 2664969 NQGWKBJUJKSITA-QGZVFWFLSA-N 403.453 4.803 0 40 HJAB Fc1cccc(Cl)c1[C@H]1C[C@H](c2cccc(Br)c2)Nc2ncnn21 2918464 IPVFGCSRHWTELF-HUUCEWRRSA-N 407.674 4.979 0 40 HJAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccccc1OC(F)F 3283725 ABXUXQQIKYZDPI-UHFFFAOYSA-N 413.376 4.876 0 40 HJAB O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc(Cl)cc3)c(=O)n1C2 4237126 DNRVWBVXLPNGSN-FUHWJXTLSA-N 419.912 4.820 0 40 HJAB biogenic,in-vitro COc1ccc(-n2nnc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)cc1 4316309 PKEVQYJPYQAXQO-UHFFFAOYSA-N 400.438 4.629 0 40 HJAB C[C@@H]1S[C@]2(C(=O)Nc3ccccc32)N(c2ccc3c(c2)oc2ccccc23)C1=O 4619986 PQDQYYSWUFOQND-ZAMGYDSWSA-N 400.459 4.859 0 40 HJAB C[C@H](NC(=S)NC(=O)c1ccccc1Br)C12CC3CC(CC(C3)C1)C2 4657385 CXZWOLXGJIBDCG-PGBBXINNSA-N 421.404 4.658 0 40 HJAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 4979900 HBDNCZMLNMEEDP-KRWDZBQOSA-N 404.539 4.699 0 40 HJAB CSc1nc(NC[C@H](C)O)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 5477700 WMVSOJYSSSHUIQ-JTQLQIEISA-N 412.540 4.503 0 40 HJAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)o1)c1ccc2c(c1)CCCC2 7830594 JYXWPNOWRYOQRR-AWEZNQCLSA-N 411.502 4.724 0 40 HJAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc(OC)c1 8107608 RSUQZTRPEQFTMK-REZTVBANSA-N 407.850 4.733 0 40 HJAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1N1CCCCC1 8132003 YLCVSMIFWAOKDU-UHFFFAOYSA-N 414.505 4.925 0 40 HJAB CC(C)c1ccccc1NC(=O)CNc1ccccc1C(=O)NCc1ccccc1 8729117 KAIMHSMUECUACJ-UHFFFAOYSA-N 401.510 4.791 0 40 HJAB Cc1ccc(NC(=O)Nc2nc(C(=O)NCCc3c[nH]c4ccccc34)cs2)cc1 9318225 PJNVNJPSDOLYRN-UHFFFAOYSA-N 419.510 4.549 0 40 HJAB O=c1[nH]c(CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)nc2ccsc12 9390358 MSWFCTFIFSCBEM-UHFFFAOYSA-N 424.985 4.907 0 40 HJAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(F)cc1F 9512816 HKWIKVNSVAPXAV-SNVBAGLBSA-N 406.483 4.739 0 40 HJAB O=c1c2cc(Cl)ccc2nc(SC[C@H]2CCCCO2)n1-c1ccc(F)cc1F 9666617 VYKJSKYYEONKAJ-CQSZACIVSA-N 422.884 4.979 0 40 HJAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccco1 9864795 UYDBKGVOITUPRP-INIZCTEOSA-N 416.506 4.768 0 40 HJAB CC(C)(C)c1ccc(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1 10330490 HUGDCIRFKHJWGS-UHFFFAOYSA-N 410.539 4.542 0 40 HJAB O=C(Nc1nc(CCC(=O)N2CCc3ccccc32)cs1)c1ccc(Cl)cc1 11835449 LHJVJMNINJGHGP-UHFFFAOYSA-N 411.914 4.571 0 40 HJAB COc1ccc2c(c1)NC1(CCN(C(=O)c3cc(C)oc3C3CC3)CC1)c1cccn1-2 12117303 ANPIUMSWEHBLDR-UHFFFAOYSA-N 417.509 4.822 0 40 HJAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(Cc1cccnc1)C3=O 13217740 FIHNCQPUURIXNW-OAQYLSRUSA-N 414.436 4.689 0 40 HJAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1CCc1ccccc1 13552243 NMCHFINFRORNIA-FATVKVNYSA-N 407.513 4.968 0 40 HJAB CN(CN1C(=O)NC2(CCCCCCC2)C1=O)[C@H](c1ccccc1)c1ccc(F)cc1 14197189 QFYAGBZPYDPJGC-JOCHJYFZSA-N 423.532 4.839 0 40 HJAB O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)O)c1ccc(-c2ccccc2)cc1 16493074 YWSNOTNMARBLDE-UHFFFAOYSA-N 410.882 4.832 0 40 HJAB CC(C)(C)C(=O)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19081048 LGUSEOGDZIHPBJ-SFHVURJKSA-N 401.514 4.644 0 40 HJAB CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CCN(Cc2cccc3ncccc23)CC1 19082069 PAWVZUYKVPMTOV-DEOSSOPVSA-N 416.569 4.745 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2ccncc2)C1 19449623 XXCAYAVYCCBPKR-RUZDIDTESA-N 419.594 4.770 0 40 HJAB CC1CCN(C(=O)c2cc([C@@H]3CCCN(Cc4ccc(Cl)cc4)C3)no2)CC1 19496738 AGNLYCBCNYXFKH-GOSISDBHSA-N 401.938 4.580 0 40 HJAB COc1ccccc1-c1noc(CCC(=O)Nc2nc(-c3ccccc3F)cs2)n1 19571882 WEUQNVWRLJBNIF-UHFFFAOYSA-N 424.457 4.579 0 40 HJAB COc1ccccc1CN(C)C(=O)COc1ccc(C(C)(C)C)cc1Br 20047504 CGYWEMXUKXUIDT-UHFFFAOYSA-N 420.347 4.793 0 40 HJAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2cc(Br)ccc21 20762972 IWTRWWOCJKFKAC-AWEZNQCLSA-N 410.315 4.633 0 40 HJAB biogenic CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3cccc4ccccc34)n2)s1 21902026 KQFSSTVPOGLPPU-UHFFFAOYSA-N 421.547 4.842 0 40 HJAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3n[nH]c(=O)c4ccccc34)n2)cc1 22065062 UBOSURPNHYRXMK-UHFFFAOYSA-N 404.495 4.596 0 40 HJAB CCCn1nnnc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 22111851 YBSGRCMPSLUOFZ-UHFFFAOYSA-N 422.316 4.590 0 40 HJAB CCc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 22275288 PDQDHYGUPIVOAU-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2ccc(C)n2C)cc1 23575875 GRNHUICQPASSEJ-UHFFFAOYSA-N 401.510 4.739 0 40 HJAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccccc3CCc3ccccc3)c2)n1 32933482 HRQUSSUBXOTYKY-UHFFFAOYSA-N 409.489 4.783 0 40 HJAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1C(=O)c1ccc2ccccc2n1 33094083 VRTQTEPDAFVPGZ-LJQANCHMSA-N 414.292 4.785 0 40 HJAB O=C(O[C@H](C(=O)NCc1ccccc1)c1ccc2ncccc2c1)c1cccs1 35291266 AJNUYUBHVOVSRN-NRFANRHFSA-N 402.475 4.511 0 40 HJAB CC1CCN(Cc2ccc(C(=O)NCc3cccc(CN4CCCCC4)c3)cc2)CC1 38831695 OKTYQCLZPPTIBI-UHFFFAOYSA-N 419.613 4.834 0 40 HJAB CN(Cc1cccc(Cl)c1)C(=O)Nc1cc2c(cc1Br)OCCO2 40103732 PYMOWBFKEAPBBF-UHFFFAOYSA-N 411.683 4.538 0 40 HJAB Cc1ccc(NC(=O)/C=C/c2ccccc2F)cc1NS(=O)(=O)c1ccccc1 40106676 FSWLHIRXTQMAMQ-WYMLVPIESA-N 410.470 4.587 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1sccc1Br 40132236 NGJHMQWDOLCETF-UHFFFAOYSA-N 407.314 4.821 0 40 HJAB CC(C)[C@H](NC(=O)c1ccc(COc2ccc3c(c2)CCC(=O)N3)o1)c1cccs1 40145172 AAVJMISFESYLMZ-QFIPXVFZSA-N 424.522 4.932 0 40 HJAB COc1ccc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1Cl 43739853 UTUOHBWWXSPGGA-UHFFFAOYSA-N 421.946 4.691 0 40 HJAB CC(C)[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)N(C)C1CCCCC1 43851939 PFYHTZWTAFFRHL-LJQANCHMSA-N 416.591 4.705 0 40 HJAB O=C(CCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc2c(c1)CCC2 52927723 HBURRIOCYOEXBX-JOCHJYFZSA-N 419.521 4.663 0 40 HJAB C[C@H](c1ccccc1Cl)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 58439320 RRGVEQYMUFPBGI-GFCCVEGCSA-N 401.311 4.831 0 40 HJAB Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 65223839 DMTPMPIYYDEDGG-FMIVXFBMSA-N 401.875 4.643 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2cc(C)[nH]c2c1=O 67238369 LSMWAZFLDQXUMF-UHFFFAOYSA-N 412.559 4.687 0 40 HJAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1)C1CC1 72215330 MUXDMDBHGYBUDE-HXUWFJFHSA-N 407.514 4.963 0 40 HJAB COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)n2)cc1 72349591 UNNNMHMVXTUTNU-HXUWFJFHSA-N 404.485 4.845 0 40 HJAB COc1cccc(C(=O)N2CCC[C@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)c1 72372466 HUNSMGBVVXBBNB-QFIPXVFZSA-N 417.513 4.526 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 98211515 RLWHFNWSXNRMAP-UHFFFAOYSA-N 410.836 4.945 0 40 HJAB COc1cccc(N2CC(O)=C(c3nc(-c4ccc(OC)c(OC)c4)cs3)C2=N)c1 102718605 TUKXFBJDYYHMAP-UHFFFAOYSA-N 423.494 4.602 0 40 HJAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OC(C)C 106697233 WFNPTNDXPJIUIO-ODLFYWEKSA-N 401.459 4.858 0 40 HJAB CC(C)Oc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 219684606 GTDMFAJFSZGHJX-INIZCTEOSA-N 420.347 4.753 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222855225 DWAKNBWYXLONAZ-SFHVURJKSA-N 414.977 4.831 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 223092109 BSYFGZICZWYLJH-SFHVURJKSA-N 400.950 4.525 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 223606361 ZNLYFWHIZSNCKX-OAQYLSRUSA-N 400.950 4.606 0 40 HJAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)cc1 223793306 ZQEMNSRKPABHNS-YADHBBJMSA-N 406.555 4.613 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(OC(C)C)c2)c1 223943073 ANGQBUXYCFMYGX-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)cc1C 223944880 WRZFONDJKCLVTK-LJQANCHMSA-N 422.550 4.904 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2C)cc1 224009946 YVLZOFIGFUNOFR-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cccc(OC)c1 224592251 AJVGWJSTMXWQSY-UHFFFAOYSA-N 417.505 4.871 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 225183877 HDMLNKYJIJBJOH-XMMPIXPASA-N 424.585 4.796 0 40 HJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1nc(-c2ccccc2Cl)no1 225340220 CUKNOGWCMMFUAH-UHFFFAOYSA-N 410.688 4.946 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 225585052 HYZSTFPQZZGDFW-XMSQKQJNSA-N 414.977 4.913 0 40 HJAB COc1ccc(C)cc1CN1CCC[C@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 257278541 OCQOVHDSJUJJIF-IBGZPJMESA-N 424.589 4.511 0 40 HJAB CCCOc1ccc(/C=C/C(=O)OCC(=O)c2ccc(Cl)cc2)cc1OCC 408566523 HGGBOHABAMNSFS-WUXMJOGZSA-N 402.874 4.967 0 40 HJAB CCOc1cc(C(=S)N2CCN(CC)CC2)ccc1OCc1ccc(Cl)cc1 408576716 QOWJJVCBBLRRQC-UHFFFAOYSA-N 418.990 4.631 0 40 HJAB c1ccc(-c2nc(CCn3ccc4ccccc43)no2)c(OCc2cscn2)c1 580799866 NKNPKFJLQVXDAM-UHFFFAOYSA-N 402.479 4.970 0 40 HJAB Cc1ccc(NC(=O)Nc2snnc2C(=O)Nc2ccccc2C(F)(F)F)cc1 1416930 ZNJCUDVYZIJNDO-UHFFFAOYSA-N 421.404 4.762 0 40 HJAB COc1cc(C)cc(OC)c1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2645037 NMOVRUJDIOPDRZ-UHFFFAOYSA-N 403.784 4.702 0 40 HJAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)c1nc2c3c4c(sc3ncn2n1)CCCC4 2790024 OJTNLWBTOLDFFZ-SNVBAGLBSA-N 420.464 4.545 0 40 HJAB CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=N)NC3=O)cc2)cc1 3852219 QOIFDBXJJMGWRX-ILPOUQNUSA-N 406.507 4.742 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1CC 4138561 NDSDHFQAJRCIST-UHFFFAOYSA-N 421.526 4.576 0 40 HJAB Cc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(Cl)cc3)s2)cc1 4392404 QJGFQJQWCIUMDX-UHFFFAOYSA-N 406.960 4.601 0 40 HJAB Cc1coc(C)c1C(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 4555064 QBNZPBPGNUNQII-QHCPKHFHSA-N 409.869 4.557 0 40 HJAB Cc1nc2ccccc2n1CCC(=O)NCC[C@H](c1ccc(F)cc1)c1ccco1 5209022 MIYKECYXFOGRGY-HXUWFJFHSA-N 405.473 4.805 0 40 HJAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1 6570356 TXHYSFKJZLICTQ-KRWDZBQOSA-N 411.571 4.981 0 40 HJAB COc1ccc(Br)cc1/C=C1\N=C(c2ccc(C)c(Cl)c2)OC1=O 6866143 WOHUOSVWRMDMLG-DHDCSXOGSA-N 406.663 4.764 0 40 HJAB Cc1cc(NC(=O)c2cccc(OC(C)C)c2)cc(-c2nc3ncccc3o2)c1O 7505077 WLFUFTUTMNLYNT-UHFFFAOYSA-N 403.438 4.943 0 40 HJAB COc1ccc(-c2cc(NC(=O)c3cncc(Br)c3)ccc2OC)cc1 7639014 MASBMPKXENJTFZ-UHFFFAOYSA-N 413.271 4.781 0 40 HJAB COc1ccc(CNC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)cc1 7969511 IQMKLNKLBUCNQW-UHFFFAOYSA-N 412.848 4.670 0 40 HJAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 8073548 IYHHNIAMQGUSEB-UHFFFAOYSA-N 400.478 4.970 0 40 HJAB COc1ccc2cc(Cn3cnc4sc5c(c4c3=O)CCCC5)c(Cl)nc2c1 8192783 ANPGACCVQWGWQP-UHFFFAOYSA-N 411.914 4.595 0 40 HJAB O=C(c1ccc(Br)s1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8265037 HZIOEQLBMSWALM-ZDUSSCGKSA-N 408.317 4.649 0 40 HJAB O=C(c1ccccc1)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 8323852 XQROOSTYPAMDMB-QFIPXVFZSA-N 413.473 4.666 0 40 HJAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 8515821 UOWJMZCYVUWVTO-UHFFFAOYSA-N 403.887 4.623 0 40 HJAB CCN1C(=O)c2cc(NC(=O)COc3ccccc3F)ccc2Oc2ccccc21 9134728 RSTCBMYEIGYDEH-UHFFFAOYSA-N 406.413 4.616 0 40 HJAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1cccc(Oc2ccccc2)c1 9322024 PPSLUGXYMOBUNI-UHFFFAOYSA-N 402.494 4.588 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCCCCC3)ccc2C)cc1 10314265 RHAFSLFSXLKAKY-UHFFFAOYSA-N 414.571 4.947 0 40 HJAB Cc1ccc(CN(CCCn2ccnc2)Cc2cc3ccccc3nc2N(C)C)s1 12147031 ZANJUKLUWMTOOC-UHFFFAOYSA-N 419.598 4.960 0 40 HJAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)cc12 12580877 VOIKGFMIAIZZBB-GOSISDBHSA-N 407.543 4.916 0 40 HJAB Cc1ccc(OCC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c2c1[C@H](C)CC2=O 12736724 ZXTZLVCXGVJQEP-ZIAGYGMSSA-N 405.416 4.960 0 40 HJAB CC(C)c1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C(C)C)cc1 12848968 IIOKSISZLOKWHJ-IBGZPJMESA-N 409.498 4.933 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)C(=O)Nc1cccc2ccccc12 12903571 KQFCJXVMVYJBPK-IBGZPJMESA-N 412.537 4.818 0 40 HJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccccc1I 12904446 HIZWSQCRIIXBRO-UHFFFAOYSA-N 418.234 4.518 0 40 HJAB Cc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 15049610 UHSFKAIPRARWDQ-SXGWCWSVSA-N 420.412 4.689 0 40 HJAB Clc1ccc(-c2nc(C3CC3)ncc2-c2nnnn2-c2ccccc2)cc1Cl 16523904 TUPVVTRPMLPPCG-UHFFFAOYSA-N 409.280 4.971 0 40 HJAB CCc1c(C)sc2[nH]c(=S)n(-c3ccn(Cc4ccc(Cl)cc4)n3)c(=O)c12 17090924 BNMCUWFPRSTLLF-UHFFFAOYSA-N 416.959 4.879 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc1C 20412482 PTLPIERAUKLMRZ-UHFFFAOYSA-N 413.949 4.514 0 40 HJAB Cc1nc(CC(=O)OCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)cs1 21235761 LXWHZWVCCWLZKE-UHFFFAOYSA-N 423.538 4.722 0 40 HJAB O=C([C@@H]1Cc2ccccc2S1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 21439811 BHLIRMSWPNJVJD-NRFANRHFSA-N 409.532 4.770 0 40 HJAB Cn1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(=O)c2cc(F)ccc21 22236332 IHOGIZPXLBNUED-UHFFFAOYSA-N 402.425 4.509 0 40 HJAB COc1ccc(C(=O)Oc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)cc1OC 25919802 KJIATWPYQUMLRL-UHFFFAOYSA-N 405.450 4.508 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)cc1 28286972 MSWKAKHNKBXDHQ-OAHLLOKOSA-N 420.465 4.874 0 40 HJAB O=C(Nc1ccc(Cl)cn1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 32517574 XXDUHQODHMXIRK-UHFFFAOYSA-N 419.234 4.657 0 40 HJAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C1CC1)Nc1ccc(Cl)cc1 32604115 GGUBNEDRCSWZDQ-UHFFFAOYSA-N 402.882 4.803 0 40 HJAB O=C1N[C@H](N2CCCC2)C(F)=CN1c1nc(-c2ccccc2)oc1-c1ccccc1 35681922 NQSHCISRCCHTPL-HXUWFJFHSA-N 404.445 4.771 0 40 HJAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 36025410 QQEHDZXXCDSAFE-SSSMCOEMSA-N 406.950 4.544 0 40 HJAB O=C(CSc1nc2ccccc2o1)NCC1CCC(c2nc3ccccc3[nH]2)CC1 38671576 ZWVXFGJGINPFLK-UHFFFAOYSA-N 420.538 4.886 0 40 HJAB CCN(Cc1cccc(NC(=O)CSc2ccccc2C)c1)C(=O)C(F)(F)F 40088016 ZGKUUTLKVHPHFA-UHFFFAOYSA-N 410.461 4.637 0 40 HJAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncccc3Cl)C2)c(Br)c1 40134940 NLGAXANSZIHYGO-CYBMUJFWSA-N 408.727 4.661 0 40 HJAB O=C(OCc1nc2ccccc2s1)c1cccc(CS(=O)(=O)c2ccccc2)c1 40140489 VYQYQPQXPWHANW-UHFFFAOYSA-N 423.515 4.627 0 40 HJAB Cc1ccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 44908885 YDSDOOBGRWNYDE-UHFFFAOYSA-N 421.368 4.709 0 40 HJAB CCCn1cc(-c2nc(-c3ccc(Br)cc3)no2)c(=O)c2ccccc21 64963670 GMOUJNLVAMAQPR-UHFFFAOYSA-N 410.271 4.891 0 40 HJAB Cc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1C(F)(F)F 71815365 MGYMZNRJHYHNNN-UHFFFAOYSA-N 422.472 4.981 0 40 HJAB Cc1[nH]c2ccc(Cn3cnc4c(-c5ccc(F)cc5)nsc4c3=O)cc2c1C 72347170 SVSLRRDMUROLDI-UHFFFAOYSA-N 404.470 4.806 0 40 HJAB Cc1nc(-c2cccc(C(=O)N3CCC[C@H]3Cn3cnc4ccccc43)c2)cs1 89712622 ZOKSRNDXNNEQBG-IBGZPJMESA-N 402.523 4.773 0 40 HJAB CCN(CC)c1ncc(CNC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)s1 95361039 GMEURSWPQBLLSO-GHMZBOCLSA-N 403.436 4.988 0 40 HJAB O=c1ccnc2sc(N[C@@H]3CCCCC[C@@H]3c3ccccc3C(F)(F)F)nn12 95458756 YNNMUVBPPDIKSY-UKRRQHHQSA-N 408.449 4.698 0 40 HJAB CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2C[C@H]2O[C@@H]3C[C@H](C)CN[C@H]3[C@@H](C)[C@@H]12 100066884 AROKXPQLAKZWRT-NCVLDQLCSA-N 411.630 4.858 0 40 HJAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 123301353 KCWRJZPEFSQWMV-RNMXTZGQSA-N 418.574 4.565 0 40 HJAB COc1ccc(O)c([C@@H]2CC(c3c(O)oc(C)cc3=O)=Nc3ccccc3S2)c1 137543900 SGURJIKSHABTSU-FQEVSTJZSA-N 409.463 4.726 0 40 HJAB CCOc1ccc2c(c1)c(C(=O)NCC1(N3CCCCC3)CCCCC1)c(C)n2C 141582870 GWTXOQGHYNHNOJ-UHFFFAOYSA-N 411.590 4.804 0 40 HJAB CCOC(=O)c1cn(Cc2ccc(F)cc2)c2cc(C(F)(F)F)c(F)cc2c1=O 199801433 SNNNHFNSSKKYFA-UHFFFAOYSA-N 411.326 4.524 0 40 HJAB COc1ccc(OC)c(-c2cc(C(=O)N3CCCC[C@@H](c4ccc(F)cc4)C3)[nH]n2)c1 206669996 PPEWMWOKZDJLAM-QGZVFWFLSA-N 423.488 4.643 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 219325825 HJIYWDBDBMUUCX-INIZCTEOSA-N 406.269 4.517 0 40 HJAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1C(C)C 223336132 KUTNOVBTZAPCJP-GOSISDBHSA-N 408.542 4.740 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C 224198582 WWAHPJZVSQCGJY-HSZRJFAPSA-N 422.569 4.548 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)C)cc1 224638422 MXCBKCBZYJUGPQ-GOSISDBHSA-N 414.977 4.777 0 40 HJAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2sccc2C)c1 224827246 GTSQGJGTFNGQCA-RBUKOAKNSA-N 411.552 4.646 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)cc1 225551213 ISVHYLHJBFGDHV-SFHVURJKSA-N 414.977 4.777 0 40 HJAB C[C@@]1(NC(=O)CCO)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cc(Cl)ccc2O)C1 257292688 QMOREWCFPPZFTF-QKNQBKEWSA-N 424.324 4.549 0 40 HJAB c1ccc([C@H]2CN(Cc3ccccc3OCc3cccnc3)[C@@H]3CCOC[C@H]23)cc1 257344552 ZXTNURWEULCGOY-UBFVSLLYSA-N 400.522 4.665 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(OC)c(Br)c3)N21 260784038 UQRZEEXTNILNPM-XWIAVFTESA-N 418.360 4.832 0 40 HJAB CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O 408601246 JIFIKQXEBUUSFH-DEDYPNTBSA-N 424.522 4.767 0 40 HJAB COc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)c1 408697211 GCNDNVRRJPLABP-UHFFFAOYSA-N 416.456 4.951 0 40 HJAB COc1cc2c(cc1F)CC[C@@H]2NC(=O)Cc1sc(C)nc1-c1cccs1 669893932 ROMYPYUHWIIJGB-HNNXBMFYSA-N 402.516 4.674 0 40 HJAB C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C[C@@H](c1ccccc1)c1ncc[nH]1 1641158086 LQTVMGCCWDGGKA-YOEHRIQHSA-N 407.905 4.681 0 40 HJAB CCOc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(C)(c4ccccc43)[C@H]2C1=O 712953 NNSISMTZEFLICQ-AYIBLLACSA-N 409.485 4.656 0 40 HJAB biogenic COc1ccc(C(=O)Oc2c(Cc3ccccc3)c(=O)oc3ccccc23)cc1OC 1321786 WOEBIQIEPVCXRE-UHFFFAOYSA-N 416.429 4.620 0 40 HJAB biogenic O=[S@](Cc1cc(Sc2ccccc2)nc(-c2cccnc2)n1)c1ccccc1 1383069 YPJXNMNPTAARKC-NDEPHWFRSA-N 403.532 4.998 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc(C(C)=O)c1C 1450959 XPFHSNGDMWHHFK-GWCFXTLKSA-N 418.342 4.966 0 40 HJAB CCCc1cc(=O)oc2cc(OC(=O)[C@H](CC)NC(=O)OC(C)(C)C)c(Cl)cc12 2389388 IMOUTVNELFJKDM-HNNXBMFYSA-N 423.893 4.608 0 40 HJAB CCCCn1nc(NC(=O)c2cc(OC)cc(OC)c2)c2cc3cccc(C)c3nc21 2422466 YBGMHXNJFYKTPH-UHFFFAOYSA-N 418.497 4.963 0 40 HJAB Cc1ccc(N(CCc2ccccc2F)[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 2768383 YETCJOMBRFPBEX-HSZRJFAPSA-N 402.469 4.515 0 40 HJAB CC(C)c1ccc(NC(=O)COC(=O)/C=C/c2cccc(Br)c2)cc1 3313503 DWMOMMVGJHACRO-IZZDOVSWSA-N 402.288 4.768 0 40 HJAB aggregator Cc1c(Cl)cnc(NC(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1Cl 3389951 YMGQRBKBOQRJNY-SECBINFHSA-N 413.326 4.679 0 40 HJAB aggregator COc1cc(OC)cc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)c1 4784395 BYZBGHWOOBZUCM-UHFFFAOYSA-N 407.282 4.844 0 40 HJAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1 4966400 OUBXWMSOJXKLRS-LJQANCHMSA-N 403.478 4.773 0 40 HJAB Cc1cc(Cl)ccc1NC1=NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S1 5893344 GRONYOZLTKWDIM-OAHLLOKOSA-N 408.310 4.741 0 40 HJAB Cc1cc(NC(=S)NC(=O)CC(C)C)ccc1NC(=O)c1cc2ccccc2o1 5894912 CJUXBTDQDJYSBR-UHFFFAOYSA-N 409.511 4.853 0 40 HJAB COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NC1CCCC1 6127310 GEUPJYCDASLYBZ-UHFFFAOYSA-N 418.493 4.538 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2cccc(C)c2)cc1 6845710 LGJRSPHEEYOSCI-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB Cc1cc(C)cc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1 6962973 XEWCHZLROGQBJD-UHFFFAOYSA-N 419.550 4.580 0 40 HJAB CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)/C=C/c2ccc3ccccc3n2)cc1 6985960 BJQSNDDGIPDTFP-INFVRCAFSA-N 416.477 4.801 0 40 HJAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)c1 7882594 YXRNYVCZNPVKJH-INIZCTEOSA-N 415.331 4.674 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1C1CC1 8229582 WPTZENHAXMPGMB-AWEZNQCLSA-N 403.511 4.828 0 40 HJAB Cc1ccccc1OCc1nn(CC(=O)Nc2cccc3ccccc23)c(=S)o1 8571614 YNJCJPOIBIRYIS-UHFFFAOYSA-N 405.479 4.885 0 40 HJAB CCOC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccc(CC)cc3)cc12 8765707 ORZKLIGFDKZADC-UHFFFAOYSA-N 421.902 4.935 0 40 HJAB COc1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1Cl 8851342 IWIJRXLULKEYOF-UHFFFAOYSA-N 422.868 4.517 0 40 HJAB CCN1C(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3C)ccc2Oc2ccccc21 8961122 VIJZWUDUXKYDFJ-UHFFFAOYSA-N 422.506 4.877 0 40 HJAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 8987851 FHUJSHIEFGLQRM-HXUWFJFHSA-N 412.917 4.843 0 40 HJAB Cc1oc2cc(O[C@H](C)C(=O)NCc3ccco3)ccc2c(=O)c1Oc1ccccc1 9336579 SRGFGUASDFTBTJ-MRXNPFEDSA-N 419.433 4.570 0 40 HJAB COc1ccc(-c2c(C)nn3c([C@H]4CCCN(C(=O)OC(C)(C)C)C4)ccnc23)cc1 12127649 UVXFORIEKQHCRS-SFHVURJKSA-N 422.529 4.828 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)cc1 12223577 LUQNCQGLTITEFD-UHFFFAOYSA-N 419.510 4.816 0 40 HJAB COc1ccc(C(=O)Nc2ccc(C(=O)c3cc4ccccc4o3)cc2)cc1OC 12390754 IQSODIJHOHGJBB-UHFFFAOYSA-N 401.418 4.933 0 40 HJAB biogenic CSc1cccc(-n2nnc(C(=O)OCc3nc(-c4ccccc4)oc3C)c2C)c1 12416120 ZPOQBGWUOJFZQF-UHFFFAOYSA-N 420.494 4.618 0 40 HJAB O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cc(F)c(F)cc1Cl 12771333 XEPMOAWVFSQDBE-UHFFFAOYSA-N 420.822 4.995 0 40 HJAB CC(C)(C)C(=O)COC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12 12778303 PQWRBZSNXJWHMD-UHFFFAOYSA-N 403.478 4.793 0 40 HJAB CC(C)[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(F)cc1 12927173 LGWZHAHXFSCFGQ-IEKAHNGHSA-N 408.517 4.591 0 40 HJAB Cc1ccc(NC(=O)CN(C)C(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)cc1 12996719 DOZDGLSCROJRIX-UHFFFAOYSA-N 424.570 4.625 0 40 HJAB O=C(Nc1ccnn1Cc1ccccc1Br)c1ccccc1C(F)(F)F 12998606 UJKBGNCOEHEMMU-UHFFFAOYSA-N 424.220 4.965 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc([C@@H](C)Oc2ccccc2Cl)n1C 13870578 SUJFZYZKXHFFTB-CQSZACIVSA-N 416.934 4.648 0 40 HJAB Cc1cnc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cn1 14237790 GNBVCYGXUOXISX-UHFFFAOYSA-N 417.900 4.563 0 40 HJAB COc1ccc(Br)cc1/C=C1\C(=O)Nc2ccc(Br)cc21 15016117 DHAZADOCYBAZEV-QPEQYQDCSA-N 409.077 4.713 0 40 HJAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(OC)c(OC)c4)sc3n2)cc1 16992508 LJQHOPWYWWXJAE-UHFFFAOYSA-N 423.494 4.649 0 40 HJAB COc1ccc(CC(=O)N2CC[C@@H](c3nc(C4CCC4)n4c(C)csc34)C2)cc1 19240496 IKZPHAAPQYWGQK-GOSISDBHSA-N 409.555 4.539 0 40 HJAB CC(C)[C@H](NCc1ccc(Cl)c(Cl)c1)c1cc(=O)nc(-c2cccnc2)[nH]1 19445669 GBYMQTPYFNAXPJ-IBGZPJMESA-N 403.313 4.626 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2c(CC)noc2C)n1 19525567 LMJFZKRELILMBH-HXUWFJFHSA-N 419.529 4.717 0 40 HJAB COc1cccc(-c2ccc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)nc2)c1 19693658 HXOGNUALQJIWSJ-SANMLTNESA-N 411.505 4.879 0 40 HJAB Cc1nc([C@H]2CCCN(C3CCCCC3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 19744493 IRXQMWMPJNVIKW-IBGZPJMESA-N 422.548 4.526 0 40 HJAB CCOc1cc(CN[C@H]2CN3CCC2CC3)ccc1OCc1ccccc1Cl 19922682 DEXPHIKNUGDTNX-NRFANRHFSA-N 400.950 4.502 0 40 HJAB CCCCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(Cl)cc2)c2ccccc21 20745777 TUMPWUVMRHKMNX-QHCPKHFHSA-N 420.900 4.950 0 40 HJAB CCSc1ccc(CC(=O)N(CCn2cccn2)c2nc3ccccc3s2)cc1 23144737 WLFZYHQAOJYOIP-UHFFFAOYSA-N 422.579 4.881 0 40 HJAB COc1ccc([C@H](CNC(=O)c2ccc(OC)c(Cl)c2)N2CCCCCC2)cc1 27582996 YNEWKIOOUUAMSY-NRFANRHFSA-N 416.949 4.704 0 40 HJAB biogenic COc1ccc(C)cc1[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 29332587 CWOOGNYKYOGEAX-YWZLYKJASA-N 412.921 4.540 0 40 HJAB COc1ccccc1N(C(C)=O)c1nc(COc2ccc3ccc(=O)oc3c2)cs1 31640218 AOPMHFBEZXVJCG-UHFFFAOYSA-N 422.462 4.522 0 40 HJAB Cc1ccc(-c2noc(COc3ccccc3C(=O)NCc3cccs3)n2)cc1 32579107 YBVWZCSIBSAIMG-UHFFFAOYSA-N 405.479 4.616 0 40 HJAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2ccccc2F)s1 32816587 AKJMWEUQSOBWCY-CQSZACIVSA-N 417.527 4.791 0 40 HJAB Cc1cccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)c1 33067888 FRWGRCPWEASIAA-UHFFFAOYSA-N 414.465 4.534 0 40 HJAB c1cncc(CN2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)c1 35425521 AQGUWHKEVNQWFU-FQEVSTJZSA-N 405.502 4.575 0 40 HJAB biogenic,in-vitro COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccc(C)cc1)CC2 36447651 SZOPSXDBAIVLDO-XMMPIXPASA-N 422.550 4.660 0 40 HJAB CCCCc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc3ccccc3c2)cc1 39986804 LRVUIBKPLDZAEM-UHFFFAOYSA-N 424.566 4.832 0 40 HJAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccccc1OCc1ccccc1 44872494 PRMCMFHTHBNXNB-UHFFFAOYSA-N 400.522 4.791 0 40 HJAB Cc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccccc4)cc3)cn2)c1 49422209 RNELERCAEXNPIU-UHFFFAOYSA-N 410.477 4.744 0 40 HJAB CCc1ccc(-c2csc(NC(=O)[C@H](c3ccccc3)N3CCC(O)CC3)n2)cc1 72232574 UHARWKULXBXPBB-QFIPXVFZSA-N 421.566 4.509 0 40 HJAB COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)n2)c1 72349589 FBSWADCSNUMRBR-HXUWFJFHSA-N 404.485 4.845 0 40 HJAB O=C(c1cccnc1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359503 CUHBLPVVWIAQNT-QGZVFWFLSA-N 412.415 4.577 0 40 HJAB Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)COc3ccc(F)cc3F)n2)n1 72375516 XSUYZKJKWVTRKJ-LJQANCHMSA-N 424.451 4.549 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2c[nH]nc2-c2ccccc2)S1 96117083 VMNABKYRQLHYGG-BEFAXECRSA-N 423.542 4.583 0 40 HJAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccc(OC)cc2)C12CCCC2 96344412 ANRUCXXKZXUDNC-QHCPKHFHSA-N 420.553 4.664 0 40 HJAB C[C@H](NC(=O)COC(=O)CSc1cc(Cl)ccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102149103 ULQGYGSMPQCGPV-ABHRYQDASA-N 416.370 4.570 0 40 HJAB CC(=O)Nc1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 102847732 RNRCRGNHRJBGKZ-SNEKZUEESA-N 405.336 4.708 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)c4c(C)nn(C(C)=O)c4C[C@H]32)C1 105363829 LFSRWPRCKLPVBQ-QZOZEGTJSA-N 410.558 4.760 0 40 HJAB COc1ccc(N2C[C@H](C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)CC2=O)cc1 108318343 SNVODLVHYYOOEQ-MRXNPFEDSA-N 422.431 4.632 0 40 HJAB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@@H]([C@@H]2CC=CCC2)n2c1nc1ccccc12 216107305 PNIHONYEGOFQST-DUXKGJEZSA-N 409.530 4.650 0 40 HJAB Cc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1Cl 222530917 FVYLYKAWUXSANJ-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 223794625 IWYNDFAPCMTOKK-OAQYLSRUSA-N 418.940 4.745 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C 224407376 OTXYFHGNFHTLKE-QHCPKHFHSA-N 410.533 4.543 0 40 HJAB COc1ccc2cc(S(=O)(=O)Nc3ccc(Br)cc3F)ccc2c1 224465004 NTQNIFRUCQCAKP-UHFFFAOYSA-N 410.264 4.551 0 40 HJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 224527682 PWZHMWREIMQHHO-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1C 225034754 BGZZWXMDOOLETJ-XMMPIXPASA-N 406.570 4.794 0 40 HJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 225384109 OJSKRUNKYGQNLT-QGZVFWFLSA-N 415.540 4.635 0 40 HJAB COc1cc(-c2nnc(N)o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 226325674 HQCOIYKUURDLLL-UHFFFAOYSA-N 400.649 4.867 0 40 HJAB COc1c(C)cccc1C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 408622901 QEIOJUUMZNTISY-UHFFFAOYSA-N 402.825 4.803 0 40 HJAB CCOC(=O)c1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1 408625112 WVJHQPYCHBMIBH-UHFFFAOYSA-N 412.445 4.604 0 40 HJAB CCOC(=O)N[C@H](CC(=O)Nc1c(C)cc(Br)cc1C)c1ccccc1 408979686 OAEGXBNKJFPIDZ-QGZVFWFLSA-N 419.319 4.882 0 40 HJAB CCCN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)C1=O 409353900 UIDFDNZYLFSNTC-MHWRWJLKSA-N 405.859 4.833 0 40 HJAB COc1ccc2cc(-c3oc4c(c3CC(=O)O)c(=O)oc3ccccc34)ccc2c1 524730462 KDBCKDFOVCUYLY-UHFFFAOYSA-N 400.386 4.995 0 40 HJAB biogenic Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1-c1cnn(C)c1 534744067 OMOJBFZNQYNKIX-UHFFFAOYSA-N 406.873 4.634 0 40 HJAB C[C@]1(O)CN(C(=O)c2cc3cc(Cl)ccc3o2)CC[C@@H]1Oc1cccc(Cl)c1 1848357380 SSZPTCFJNCYDMN-FPOVZHCZSA-N 420.292 4.784 0 40 HJAB COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1 688042 VQYVKQPXIGFYJJ-DEOSSOPVSA-N 420.534 4.852 0 40 HJAB COc1ccc(-c2c3c(nc4sc(C(C)=O)c(N)c24)C(=O)c2ccccc2-3)cc1 688128 JREHJOBLBPMYOU-UHFFFAOYSA-N 400.459 4.968 0 40 HJAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)c4ccc5c(c4)OCCO5)c23)C1 781906 PTTLYKNHUVTDKY-GFCCVEGCSA-N 412.536 4.562 0 40 HJAB CCOC(=O)[C@@H](CC)Sc1nnc(COc2ccc(C)cc2)n1-c1ccccc1 875831 CUADGQFGMOKBNQ-LJQANCHMSA-N 411.527 4.589 0 40 HJAB Cc1sc2nc(CN(C(=O)/C=C/c3ccccc3)C3CCCC3)[nH]c(=O)c2c1C 1358949 CHUQRBHCGIEKBC-OUKQBFOZSA-N 407.539 4.586 0 40 HJAB CN(C)c1ccc([C@@H](CC(=O)c2ccc(Br)cc2)SCCO)cc1 1793591 YAVUYWZAUMWCRP-LJQANCHMSA-N 408.361 4.555 0 40 HJAB CC[C@@]1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnc(SC)n21 2393763 YWZCOJRDKMMVTE-DEOSSOPVSA-N 416.550 4.552 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(CCCOC(C)C)C3=O 2413975 NFTRZWUCTGVKKU-OAQYLSRUSA-N 409.457 4.601 0 40 HJAB Cc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccccc2)cc1C 4315707 WTCLBILNOXHWDE-UHFFFAOYSA-N 401.487 4.915 0 40 HJAB O=C1C[C@@H](Sc2nc3ccccc3s2)C(=O)N1c1cccc(C(F)(F)F)c1 4393334 PECJWICEJOFAAI-CQSZACIVSA-N 408.426 4.739 0 40 HJAB COCCOC(=O)c1c(C)n(Cc2ccccc2F)c2c1cc(O)c1ccccc12 4708662 AMZHEQQSTJLJMP-UHFFFAOYSA-N 407.441 4.799 0 40 HJAB O=C(NCCC1=CCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 5002437 CWOWRQAOXSWEFU-QHCPKHFHSA-N 410.539 4.674 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccc(C)cc1 5478088 KEBBOSFGTWAGER-UHFFFAOYSA-N 404.898 4.797 0 40 HJAB CCc1ccc(Cl)c(CC)c1NC(=O)c1cc(S(C)(=O)=O)ccc1Cl 6646806 QWNGGVIHAVMXPN-UHFFFAOYSA-N 400.327 4.774 0 40 HJAB CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2ccccc2)ccc1Cl 7166259 FRYVSMCJHVDISP-UHFFFAOYSA-N 414.914 4.808 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cc1ccc(Cl)cc1Cl 8009526 DSPYFLAGFBHRQI-UHFFFAOYSA-N 402.325 4.997 0 40 HJAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8071376 RROILWGVVMZVGR-QUCCMNQESA-N 422.550 4.874 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cccc(OCc2ccccc2)c1 8404980 ZAEJCSXKADJJQG-UHFFFAOYSA-N 408.885 4.596 0 40 HJAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 8657345 ZECSJLUFFPOTMO-SFHVURJKSA-N 415.468 4.753 0 40 HJAB C[C@H](Sc1nnc(-c2cccs2)n1N)C(=O)Nc1ccccc1-c1ccccc1 8735834 HVIWFWXKTYIXFV-AWEZNQCLSA-N 421.551 4.507 0 40 HJAB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2C1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 9057603 WPBMKMXMEFLDDJ-UHFFFAOYSA-N 408.417 4.653 0 40 HJAB O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2)c1ccco1 9330100 BODSPLVKHRHMRI-GOSISDBHSA-N 417.856 4.833 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2F)ccc1Cl 9355970 QTLWORWVTTZVIM-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CC(=O)Oc1cc(C(C)(C)C)cc2cc(-c3nc(-c4ccccc4F)no3)c(=O)oc12 9431194 WREDCDNJFVIBHG-UHFFFAOYSA-N 422.412 4.872 0 40 HJAB CC1=CC(C)(C)N(C(=O)CSc2nnc(-c3cccnc3)o2)c2ccc(C)cc21 10157745 GFQHWLNJFAMHFN-UHFFFAOYSA-N 406.511 4.761 0 40 HJAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nc(C2CC2)nc2ccccc12 10945550 LIYKANMPPWTBJO-UHFFFAOYSA-N 403.960 4.973 0 40 HJAB Cc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(Br)s3)sc2c1 12140785 ZDKXFQQTXRFMPI-UHFFFAOYSA-N 424.389 4.637 0 40 HJAB COc1ccc2nc(-c3ccc(C)c(NC(=O)c4c(F)cccc4Cl)c3)cn2n1 12441184 KPRUWDGUJOLQJF-UHFFFAOYSA-N 410.836 4.758 0 40 HJAB CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OCC 12601825 NXEDPIQJJDBZRW-CMQXMCPJSA-N 405.498 4.737 0 40 HJAB O=C(COc1ccccc1Br)N[C@H](c1ccc(F)cc1)c1cccs1 12751206 JFPLYNPTYBIIJN-LJQANCHMSA-N 420.303 4.934 0 40 HJAB CC(=O)c1ccc(O[C@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 12762802 LEIFJQIVSBTSQI-AEFFLSMTSA-N 408.523 4.672 0 40 HJAB Cc1noc(C)c1CSCC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 12765920 WQAWNXOFTAYZCY-XSTIVXOKSA-N 418.562 4.938 0 40 HJAB O=S(=O)(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccccc1Br 12979169 SGQWNMGUBLCDJP-CYBMUJFWSA-N 418.765 4.618 0 40 HJAB O=c1[nH]c2ccccc2cc1CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 13554577 ADLYMXJHKQCRJS-UHFFFAOYSA-N 424.909 4.577 0 40 HJAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc3ccccc23)sc2c1CCCC2 13709272 ZVULPNXMFJHQAS-CQSZACIVSA-N 409.507 4.973 0 40 HJAB CSc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 14155251 KBUXAWQNBDFKSW-UHFFFAOYSA-N 422.424 4.927 0 40 HJAB CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2c1 16321419 NMDUUMHKJMODPM-UHFFFAOYSA-N 410.282 4.579 0 40 HJAB Cc1oc(-c2ccccc2)nc1COC(=O)c1nnn(-c2cccc(Cl)c2)c1C 16842451 PTNYEYRQBLRPFD-UHFFFAOYSA-N 408.845 4.550 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1Br 16956883 FQXYWWHGWHOSOS-UHFFFAOYSA-N 407.264 4.973 0 40 HJAB O=C(NC1CCCCCCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 20479586 WDHUPQJLNTUTFF-PBHICJAKSA-N 410.440 4.979 0 40 HJAB CCn1cc(C(=O)N[C@H](C)c2ccccc2OC)c(=O)c2cc(C(F)(F)F)ccc21 22237036 TXTGYPJEUOQEGR-CYBMUJFWSA-N 418.415 4.540 0 40 HJAB CCc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 26124595 TWHVABBPTYDLPD-UHFFFAOYSA-N 420.900 4.962 0 40 HJAB COc1ccc2nc(NC(=O)c3cc(-c4ccc5c(c4)C[C@@H](C)O5)on3)sc2c1 27995412 XUMDELFLNDPDDX-LLVKDONJSA-N 407.451 4.536 0 40 HJAB CC(C)(C)NC(=O)CC1(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CCCC1 36391125 OGOQPUXXTVOPKM-UHFFFAOYSA-N 409.574 4.739 0 40 HJAB O=C(CCCOc1cccc2ccccc12)NCc1cccc(NC(=O)C2CC2)c1 40106522 KKKRBOGTSGCQEM-UHFFFAOYSA-N 402.494 4.664 0 40 HJAB Cc1cccc2c(C(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)cc(C3CC3)nc12 40106580 WXGOXIYXJVXFLX-JOCHJYFZSA-N 415.493 4.790 0 40 HJAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875039 VEQAFUJEAZVZMY-FQEVSTJZSA-N 402.538 4.909 0 40 HJAB O=C(NCCSCc1ccccc1F)[C@H]1CCCN(Cc2ccccc2Cl)C1 44909021 CHOKABHCBDHLEY-SFHVURJKSA-N 420.981 4.741 0 40 HJAB Cc1ccc2nc(COc3ccccc3C(=O)NCc3ccc(Cl)s3)cn2c1 48302166 RVUMGLCQBSOKFW-UHFFFAOYSA-N 411.914 4.867 0 40 HJAB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2c(Cl)ccc3nsnc23)c1 59294517 XBEVEXMYUPGFOI-SNVBAGLBSA-N 420.947 4.649 0 40 HJAB CCN1c2ccc(C(=O)Nc3c(C)cccc3C)cc2-c2ccccc2S1(=O)=O 64762057 YYFNGMVOQVLAHE-UHFFFAOYSA-N 406.507 4.751 0 40 HJAB COC(C)(C)C(=O)N1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 72374158 KYPCSTVUHSDAOC-GOSISDBHSA-N 420.475 4.822 0 40 HJAB CCc1ccc2c(CNc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc(=O)oc2c1 95364981 JXGOCZNXWMNTOX-HOTGVXAUSA-N 410.489 4.720 0 40 HJAB Cc1cccc(Cl)c1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 98211442 UKOJJCPZGIMZQP-UHFFFAOYSA-N 410.836 4.945 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 101149777 HKHQLIVJCSXRRW-KSWGRZJBSA-N 423.553 4.840 0 40 HJAB biogenic COC(=O)CC[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(=O)C[C@@]21C 123286079 XAAOVQCJMNBXLL-PPODUPMNSA-N 404.591 4.775 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 136529788 OYSMZANBUNXQOO-SFTDATJTSA-N 402.494 4.519 0 40 HJAB COc1ccc(-c2cnc(C(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)o2)cc1 206589183 LUYPOFBPHLQZHS-UHFFFAOYSA-N 416.462 4.979 0 40 HJAB CC[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(S(C)(=O)=O)cc1 218979701 AMAJZVPDPMSDFP-QHCPKHFHSA-N 423.534 4.550 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 222451621 WDSRHSLYVFSMSP-JOCHJYFZSA-N 414.977 4.913 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1cccnc1 222590969 CVGLJZPKXGQJAF-USCONSEESA-N 403.555 4.533 0 40 HJAB Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222633228 AINGBCIQLFNDAV-LVXYXVKQSA-N 419.506 4.938 0 40 HJAB CN1CCN(c2ccc(NC(=O)CSCc3ccc(Cl)cc3Cl)cc2)CC1 222730366 BXPUGYWFSCWTOJ-UHFFFAOYSA-N 424.397 4.617 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 223591098 MTVCCEYNYAYBPM-OAQYLSRUSA-N 400.950 4.606 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 223746920 GXXRVJVHJVMXES-DEOSSOPVSA-N 408.586 4.878 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 225131626 KOOACGJMGTWDJW-HSZRJFAPSA-N 424.585 4.831 0 40 HJAB Cc1cc(S(=O)(=O)NCCSCc2ccc(Cl)c(Cl)c2)ccc1F 225602616 OSJUWDFNNGVAGP-UHFFFAOYSA-N 408.347 4.653 0 40 HJAB CSc1cccc(CN2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 257236750 HDPDVTJHWGSFQU-SFHVURJKSA-N 413.587 4.839 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408553139 ODWXNPCDSOQMNR-QGZVFWFLSA-N 410.539 4.577 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cccc(COc3ccc(C)nc3)c2)cc1Cl 510124330 KBVDBQPJRBQLLQ-UHFFFAOYSA-N 409.873 4.833 0 40 HJAB O=C(Nc1ccc(-c2ccccc2F)nn1)c1cc(Cl)cc(Br)c1 1617051708 HGLRURIJOGEVQJ-UHFFFAOYSA-N 406.642 4.951 0 40 HJAB COc1ccc(-c2ccc3c(N)c(C(=O)NCCc4ccccc4)sc3n2)cc1 661498 RTAKGAMXMRCJKA-UHFFFAOYSA-N 403.507 4.527 0 40 HJAB COc1ccc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1OC 1031413 WHYSOPUJAJVPTG-UHFFFAOYSA-N 401.422 4.673 0 40 HJAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2cc1OC(=O)N(C)C 1322858 SDCJGWREELOOGM-UHFFFAOYSA-N 423.465 4.553 0 40 HJAB biogenic Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1C=CC(C(F)(F)F)=NCC1 1403950 CVJJFJCKMBKZIX-UHFFFAOYSA-N 418.202 4.930 0 40 HJAB COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN23)cc1 1453753 PTNBXHSCYUAXFG-NQIIRXRSSA-N 408.841 4.962 0 40 HJAB CCOc1ccc(N(CCN(C)C)C(=O)C(c2ccccc2)c2ccccc2)cc1 1758903 BWUYHRBYBIEZKA-UHFFFAOYSA-N 402.538 4.812 0 40 HJAB Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)n1 2670640 NYFQIJPSQXILCO-UHFFFAOYSA-N 404.948 4.525 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CC(c1ccccc1)c1ccccc1 3350276 CJWSBSCSURCQHD-UHFFFAOYSA-N 400.522 4.923 0 40 HJAB CC(=O)O[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 4025105 JNZLFQBVNULBKB-ZXSZFVAWSA-N 416.558 4.772 0 40 HJAB biogenic Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)CSC3)c(C)c1 4176227 DYUPAHIUZIDVHB-UHFFFAOYSA-N 413.930 4.907 0 40 HJAB Cc1cccc(OCCSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)c1 4490723 BQTKSNDBCQIXQU-INIZCTEOSA-N 400.523 4.509 0 40 HJAB Cc1ccc(-c2nc(CCNC(=O)c3ccccc3Br)cs2)cc1 4570743 DFIFPQXFDUVXBB-UHFFFAOYSA-N 401.329 4.854 0 40 HJAB CCCCCCOc1ccccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 4694589 HNAZPSJBFVLDNK-UHFFFAOYSA-N 407.514 4.696 0 40 HJAB Cc1ccc2c(c1)C(=O)O[C@@H](C(=O)Nc1ncc(Cc3ccc(C(C)C)cc3)s1)C2 5032210 FHNSWDYLIGJIBB-OAQYLSRUSA-N 420.534 4.886 0 40 HJAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccco2)[C@@H]1c1cccs1 6875789 UYIQNKDFHFCARH-RTWAWAEBSA-N 408.523 4.594 0 40 HJAB COc1cc(SC)ccc1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 6968549 BYLOCAAPRYVRPW-UHFFFAOYSA-N 414.508 4.564 0 40 HJAB Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)cc1Br 7726639 STCMYININGCYKA-UHFFFAOYSA-N 403.276 4.584 0 40 HJAB Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccccc3C)cs2)cc1 8852859 XNJGXAGOHLXTIZ-UHFFFAOYSA-N 411.552 4.672 0 40 HJAB Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)S(C)(=O)=O)c1 10331581 AVXFEEYVVWJCDA-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB Cc1cc(N2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)nc(C(C)C)n1 11077301 MDAWCFICAZVODL-UHFFFAOYSA-N 416.525 4.663 0 40 HJAB COc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 11284462 NEHSJWSDSUHDIZ-ZWKOTPCHSA-N 418.493 4.592 0 40 HJAB COP(=O)(OC)c1nc(/C=C/c2ccccc2)oc1NCc1ccc(F)cc1 12062711 JGXBADIWAQYAPT-JLHYYAGUSA-N 402.362 4.707 0 40 HJAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)c2csc3c2CCCC3)C1 12238751 QBGHVFDUCDTMAC-HXUWFJFHSA-N 418.566 4.922 0 40 HJAB CNC(=O)[C@H](C)Sc1nnc(COc2ccc(Cl)cc2C)n1C1CCCCC1 12900369 NTGLBRIUDOJBHF-AWEZNQCLSA-N 422.982 4.551 0 40 HJAB CCc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)c1 16841480 HBQKXYFFIXAHHX-UHFFFAOYSA-N 406.486 4.829 0 40 HJAB CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2s1 17082764 PJYQZTHSCWYACP-UHFFFAOYSA-N 403.891 4.706 0 40 HJAB COc1ccc(OC)c([C@H](O)CN2CCc3sccc3[C@@H]2c2cccs2)c1 19551196 UNYKOJHHYVKMAP-DYESRHJHSA-N 401.553 4.508 0 40 HJAB COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 19555107 PAWMKIITWCDBRX-AUSIDOKSSA-N 421.566 4.535 0 40 HJAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20153725 UEZWXXWWZCEYEZ-IZZDOVSWSA-N 412.898 4.619 0 40 HJAB O=C(O)COc1ccc(NC(=O)c2cccs2)cc1-c1nc2ccccc2s1 20158044 ZVRYTUSSKIMCPQ-UHFFFAOYSA-N 410.476 4.741 0 40 HJAB Cc1ccc(-c2csc3ncc(C(=O)Nc4ccc(Cl)cc4C)c(=O)n23)cc1 20768091 YKBUQOQKVHMROY-UHFFFAOYSA-N 409.898 4.946 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Cc2nc(-c3ccccc3)oc2C)c1 23007604 ZKXDNASYDIVWMI-OAQYLSRUSA-N 406.482 4.573 0 40 HJAB O=C(CCC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1)c1cccs1 23134903 YTZQEGGIYTUQGW-UHFFFAOYSA-N 417.328 4.540 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ccco2)s1 23576310 XTJROVODKPYLHH-ZDUSSCGKSA-N 422.462 4.811 0 40 HJAB CCN(CC)[C@H](CNC(=O)c1cc(=O)c2cc(Cl)c(C)cc2o1)c1ccccc1 28292690 STMSUXQPJUYKLE-LJQANCHMSA-N 412.917 4.568 0 40 HJAB Cc1ccc(SCCNC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1 32802269 VQNMSJWZXKYULA-LJQANCHMSA-N 414.962 4.563 0 40 HJAB Cc1cc(C)n(-c2ccccc2NC(=O)[C@@H](C)Oc2ccc(Br)cc2)n1 32809944 VBPIANTULZHZDS-OAHLLOKOSA-N 414.303 4.658 0 40 HJAB CC[C@H](NC(=O)NCc1ccc(NC(=O)C2CC2)cc1)C12CC3CC(CC(C3)C1)C2 32936982 NCARIYHEMFSQCS-KIZRYQFWSA-N 409.574 4.829 0 40 HJAB Cc1cc(C(=O)Nc2ccc(Cl)cc2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 33271984 FGVKPZBSPVBPIC-UHFFFAOYSA-N 412.898 4.706 0 40 HJAB O=C(NCc1ccc(Br)cc1)c1sc2ncccc2c1-n1cccc1 33297997 ZJBQJFDLXDRNEL-UHFFFAOYSA-N 412.312 4.780 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)cc1 33658100 INUROGUHTJQGKO-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CCOc1ccccc1NC1=NC(=O)/C(=C\c2cccc(Br)c2)S1 35647502 DJMUITBJNSHINR-LFIBNONCSA-N 403.301 4.930 0 40 HJAB Cc1ccccc1NC(=O)CN1CCC(c2nc(-c3ccccc3Cl)no2)CC1 49403612 CDPHOYCVNYZJMC-UHFFFAOYSA-N 410.905 4.517 0 40 HJAB COC(=O)c1c(CC(=O)Nc2ccccc2Oc2ccc(C)cc2)[nH]c(C(C)=O)c1C 57988451 IVCCCSHTXHJAOS-UHFFFAOYSA-N 420.465 4.594 0 40 HJAB COc1ccc(CSc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)cc1 67260625 MLHPWJWYNGTKIZ-UHFFFAOYSA-N 415.522 4.962 0 40 HJAB O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 72330442 GVMOOXRARZPCAJ-BWKNWUBXSA-N 409.549 4.871 0 40 HJAB CCOc1cc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)cc(Cl)c1O 95941045 YGNMKZGVYVYTEA-QGZVFWFLSA-N 415.877 4.621 0 40 HJAB O=C(NCc1cccnc1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96154466 GRPVJVBXBFQNSD-UHFFFAOYSA-N 412.474 4.943 0 40 HJAB CCn1c(C[C@@H]2C(=O)N(Cc3ccccc3)c3ccc(C)cc32)nc2ccccc2c1=O 101413382 JJOUVTSXJBNXLD-QFIPXVFZSA-N 423.516 4.598 0 40 HJAB CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](c3ccc(N(C)C)cc3)[C@@H]1[C@H]2C 105364723 MATUOSYEEAMWHP-VNDAOJNNSA-N 400.563 4.793 0 40 HJAB CC1CCN([C@@H](C(=O)NCCc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1 141593314 UQDYYMXKRNYQEA-OAQYLSRUSA-N 404.476 4.837 0 40 HJAB COc1cccc(CCCNC(=O)COc2ccc(C(C)C)cc2Br)c1 218874273 GHJNFODOXDQQJK-UHFFFAOYSA-N 420.347 4.709 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(c2ccc(C)cc2)CC1 219865226 OCPBZJQWAYPVPC-JOCHJYFZSA-N 408.542 4.639 0 40 HJAB CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c(Cl)cc1O 222674008 ZLXDCLUODYGBPT-DPMMWBKBSA-N 403.935 4.819 0 40 HJAB CC[C@H](NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1)c1ccccc1C 224022676 LVHKILOCUORIFO-SFHVURJKSA-N 420.600 4.741 0 40 HJAB COCc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 224545839 DFDRPPUWLHSZHI-UHFFFAOYSA-N 407.341 4.991 0 40 HJAB COc1ccc(S(=O)(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)c(C)c1C 224816759 VMDDWYYVJXVUCF-LJQANCHMSA-N 415.555 4.817 0 40 HJAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)CC1 225165949 NAOWQGXOPMKBOS-UHFFFAOYSA-N 423.582 4.803 0 40 HJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)n1C 225339921 IUNWRGUJPNEVDP-YADHBBJMSA-N 406.555 4.693 0 40 HJAB CCOC(=O)/C=C/c1ccc(OCc2ccccc2C)c(I)c1 226333047 FLILRLQQLSYLAX-PKNBQFBNSA-N 422.262 4.755 0 40 HJAB O=C(NCc1cccc2ccccc12)NC[C@@](O)(c1ccsc1)c1cccs1 244998720 KQWHWCOMLAYHLY-JOCHJYFZSA-N 408.548 4.698 0 40 HJAB Cn1cc(CN2CCC(c3cccc(Nc4ncccn4)n3)CC2)c2cc(F)ccc21 257244056 IJRCSCZEBUDFOV-UHFFFAOYSA-N 416.504 4.626 0 40 HJAB Cc1cccc(Nc2cncc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2)n1 257329541 XKJWLSHOSTVFGY-HXUWFJFHSA-N 421.932 4.873 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 408649040 ZFHVNYUBAGNGHC-INIZCTEOSA-N 415.331 4.620 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)c1 408689877 ZKUQQRYDZWNXNM-DUXSXAKTSA-N 408.885 4.602 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)oc12 408703174 PIWDHNWPJVYRIW-UHFFFAOYSA-N 400.434 4.624 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2CC(C)C)cc1 409102679 DXZUAQCTJLYKTA-UHFFFAOYSA-N 424.570 4.654 0 40 HJAB CCOc1cc(CNc2ccc(C)cc2C)cc(I)c1OC 409111421 AKVRFMJACZCDCV-UHFFFAOYSA-N 411.283 4.927 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 648818 CTOBUBVMZRWAGY-UHFFFAOYSA-N 419.959 4.963 0 40 HJAB CCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1cc2ccccc2cc1O 896761 NITMZVBEIHOIHG-HZPDHXFCSA-N 424.570 4.705 0 40 HJAB CCc1ccc2[nH]c(=O)c(CN(C(=S)NCc3ccco3)C3CCCCC3)cc2c1 916838 RTPMPACTKTZFGR-UHFFFAOYSA-N 423.582 4.893 0 40 HJAB CCc1ccccc1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918285 XYZPRHCVQPYSKP-UHFFFAOYSA-N 400.360 4.823 0 40 HJAB O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)Nc1ccccc1 925202 ILPZVASVDDAPKN-UHFFFAOYSA-N 414.534 4.648 0 40 HJAB COc1ccc2c(c1)-c1nc(NC(=O)c3ccccc3Br)sc1CC2 1098897 DPSRQLRSBGOFDR-UHFFFAOYSA-N 415.312 4.932 0 40 HJAB O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 1305357 UYJWMQSESPXRRO-DOTOQJQBSA-N 420.366 4.640 0 40 HJAB CC(C)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2421074 KIWVVNZGWKXGME-XMSQKQJNSA-N 421.468 4.780 0 40 HJAB Cc1cccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)o2)c1 2791405 IBGZEGWMWNMJHN-UHFFFAOYSA-N 402.479 4.975 0 40 HJAB COC(=O)c1ccccc1S[C@@H](C)C(=O)NCCSc1ccc(Cl)cc1 3104388 NNJWKBGHTKVBJO-ZDUSSCGKSA-N 409.960 4.516 0 40 HJAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 3248773 PGXDECGHIYPYOI-UHFFFAOYSA-N 410.543 4.596 0 40 HJAB COc1cc(/C=C/C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1O 3303960 NYJZKCBJZLOWDX-ZRDIBKRKSA-N 411.498 4.843 0 40 HJAB Cc1ccc(-n2c(SCC(=O)c3ccccc3)nc3c(c2=O)S[C@@H](C)C3)cc1 4108130 FSKARYWVUWZFGG-HNNXBMFYSA-N 408.548 4.553 0 40 HJAB CCOC(=O)CCC(=O)Nc1c(C(=O)Nc2ccc(C)c(C)c2)oc2ccccc12 4353836 VDPDXCSLWMGIHI-UHFFFAOYSA-N 408.454 4.584 0 40 HJAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 4979898 HBDNCZMLNMEEDP-QGZVFWFLSA-N 404.539 4.699 0 40 HJAB CCCCn1nc(NC(=O)c2cc(OC)cc(OC)c2)c2cc3cc(C)ccc3nc21 5046784 NEUUOSXMITWYPY-UHFFFAOYSA-N 418.497 4.963 0 40 HJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N1c2ccccc2C[C@H]1C 5359313 RNJRHZHCYYOFHI-KGLIPLIRSA-N 410.568 4.800 0 40 HJAB C#CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O 6295422 HNWWOEJMBSYVMT-XSFVSMFZSA-N 402.837 4.603 0 40 HJAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/C=C/c1ccco1 6356070 CXCWYOOTFXKPRN-LCMPQPMNSA-N 400.276 4.813 0 40 HJAB C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(Br)cc1 6436814 AGGHXTVUXQMVKR-LBPRGKRZSA-N 408.317 4.730 0 40 HJAB O=C(NC(=S)Nc1ccc(CN2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 6548101 SLDPCAGKFQLJBR-UHFFFAOYSA-N 408.354 4.716 0 40 HJAB CCN(CC)C(=O)Cn1cc(SCC(=O)Nc2ccc(C)cc2)c2ccccc21 6867041 OVBAALILODCRCJ-UHFFFAOYSA-N 409.555 4.549 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc(Cl)c1O 6958703 FUDVBVBPJDKSHO-MFOYZWKCSA-N 414.870 4.552 0 40 HJAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 7159241 LIDHUYPWRFVDLS-XBNFUDKQSA-N 418.537 4.735 0 40 HJAB O=C(CSc1nc(-c2ccccc2Br)n[nH]1)c1ccc(Cl)cc1 7252235 IRHSQXRGZINOSK-UHFFFAOYSA-N 408.708 4.863 0 40 HJAB CCc1cccc(NC(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)c1 7344627 SJPDCTHZMFTDGE-UHFFFAOYSA-N 422.456 4.667 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 8033302 CADQCMQTFXYHOI-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCC(c2nc3ccccc3s2)CC1 8086232 YTJUXMLJOILESN-VQHVLOKHSA-N 420.534 4.877 0 40 HJAB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2)n1 8664939 ZQFGSIHMIKZNOP-HXUWFJFHSA-N 402.837 4.900 0 40 HJAB C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8709257 ZRBAGJVDJFTENS-HTAPYJJXSA-N 402.494 4.775 0 40 HJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2cccc(OC)c2)CC1=O 8710280 YPPJFPXQENSLCX-IBGZPJMESA-N 421.541 4.630 0 40 HJAB COC(=O)c1cc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)ccc1Cl 9063343 YBECNHYMJFPNOJ-UHFFFAOYSA-N 421.324 4.631 0 40 HJAB COc1cc(Br)cc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1ccc(Cl)cc1 9559344 XXXJSYIFOAVBLI-RDTXWAMCSA-N 423.694 4.881 0 40 HJAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 10253368 GPJNZOBRHLMKCN-UHFFFAOYSA-N 420.943 4.898 0 40 HJAB Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCC2)c1 11667484 MRFDIQAYIKOEJS-UHFFFAOYSA-N 409.555 4.528 0 40 HJAB Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCC[C@H]2C)cc1 12062335 BMONRRHHTFFMPQ-LJQANCHMSA-N 423.582 4.917 0 40 HJAB Cc1ncccc1-c1cc2cccnc2n1CCCNC(=O)CCc1ccccc1F 12222810 FHVGUDGKXLIHTB-UHFFFAOYSA-N 416.500 4.685 0 40 HJAB CC(C)[C@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccc(C(C)(C)C)cc1 12789851 ZHFINOZTRPKNIO-QFIPXVFZSA-N 410.558 4.943 0 40 HJAB COc1cc(C(=O)NC2(c3ccccc3)CCC2)ccc1OCc1csc(C)n1 12863961 UZXXXYZHQZYESO-UHFFFAOYSA-N 408.523 4.848 0 40 HJAB CCCOc1ccc(-c2csc(NC(=O)CCCn3c(C)csc3=O)n2)cc1 12894481 PQYVQYGZUBWPGG-UHFFFAOYSA-N 417.556 4.549 0 40 HJAB CC(C)c1ccccc1NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 13042076 WFTKRLWINRIQID-UHFFFAOYSA-N 411.527 4.544 0 40 HJAB COCCCNC(=O)c1ccccc1NC(=O)c1cc2c(ccc3ccccc32)o1 13941638 CCOCWNDDZAZBIW-UHFFFAOYSA-N 402.450 4.605 0 40 HJAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccccc1C 14117480 IVDWXXKBKXKZFK-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2F)cc1S(=O)(=O)Nc1cccc(C)c1C 14155845 UABGPFIJLOLPPR-UHFFFAOYSA-N 412.486 4.804 0 40 HJAB O=C(Nc1ccccc1Cl)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 15883263 QQLFUBUKCFGTPH-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB O=C1/C(=C\Nc2ccccn2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 18023331 ITDUAANEONMWGJ-AQTBWJFISA-N 409.367 4.740 0 40 HJAB COc1cccc([C@@H]2CN(C(=O)C(C)(C)C)[C@H]3CCN(Cc4ccccc4C)C[C@H]32)c1 19237247 RJTINFCAXMOYQP-SDHOMARFSA-N 420.597 4.866 0 40 HJAB Cc1cccc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C 19897175 KPKMGRIRTSCYQU-UHFFFAOYSA-N 414.549 4.616 0 40 HJAB O=C(NC1CCCC1)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl 20628779 IVJWBTXPCGQSIX-UHFFFAOYSA-N 419.355 4.528 0 40 HJAB CCc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1 21580739 IRVUSAKGMWCOEE-UHFFFAOYSA-N 401.466 4.818 0 40 HJAB O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1 27918358 XQONLQDOYIMTRC-UHFFFAOYSA-N 402.947 4.838 0 40 HJAB COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cc(C)cc(C)c2)cc1 28534687 WJWPNBPITNHLLR-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB CCN(C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccccc1C 32831034 ADGQFIRIKPPYMW-KRWDZBQOSA-N 416.468 4.502 0 40 HJAB Cc1nc(CC(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)cs1 32907126 CTFYLWAWVPGLNG-UHFFFAOYSA-N 413.446 4.579 0 40 HJAB Cc1nc(NC(c2ccccc2)c2ccccc2)c2nnn(Cc3ccccc3)c2n1 35313225 GSXJPJZSFGGTSO-UHFFFAOYSA-N 406.493 4.780 0 40 HJAB CCc1nc2sc([C@@H](c3cccc(C(F)(F)F)c3)N3CCC[C@H](C)C3)c(O)n2n1 36370435 MZUKNHVZUQMFLD-BLLLJJGKSA-N 424.492 4.899 0 40 HJAB C[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)[C@H]2CCCC[C@@H]21 36390110 ARPAUOSNBZKAIQ-YHYVQYDKSA-N 412.555 4.528 0 40 HJAB Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)c2c1cnn2-c1ccccc1 36705176 UUMWWGGDRTZROU-UHFFFAOYSA-N 409.902 4.508 0 40 HJAB COc1ccc(-c2nnc([C@H]3CCCN(C(=O)Nc4ccccc4OC)C3)s2)cc1 36705299 IFMRPNVEZUTKIA-INIZCTEOSA-N 424.526 4.634 0 40 HJAB COc1ccccc1CNC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38848835 ZWQMYOQNVQDOHU-UHFFFAOYSA-N 407.341 4.530 0 40 HJAB CCc1ccc(Cl)c(CC)c1NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40129167 UNFLRDWNQNTRPV-CQSZACIVSA-N 407.345 4.763 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 44846496 PAGMKXICLNNRBO-IBGZPJMESA-N 422.550 4.620 0 40 HJAB COc1cccc(C2=N/C(=C/c3sc(Oc4ccccc4)nc3Cl)C(=O)O2)c1 48312179 VALWWWOVVYKFRJ-RVDMUPIBSA-N 412.854 4.942 0 40 HJAB COc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1NC(=O)C(C)C 57344039 CACZFOTWCXIRCT-UHFFFAOYSA-N 404.894 4.739 0 40 HJAB Cc1ccnc(NC(=O)C2CCN(C(=O)c3cc(F)ccc3-c3ccccc3)CC2)c1 58426881 RHZUHMSRGCMKDL-UHFFFAOYSA-N 417.484 4.687 0 40 HJAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Nc4ccccc4)nc3)C2)cc1 60333367 RLKGTQNEXHRUNE-HXUWFJFHSA-N 414.509 4.625 0 40 HJAB CCCC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1 65203163 DCTBBJYDQYRSAM-HXUWFJFHSA-N 406.482 4.856 0 40 HJAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1Cl 71980421 VYFPDYBUSNSHCJ-DBCMNUGHSA-N 414.329 4.852 0 40 HJAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 72414566 YFKWIDFQKAYQGB-UHFFFAOYSA-N 421.584 4.902 0 40 HJAB COc1ccc(CN(C(=O)c2ccccc2Br)c2nccs2)cc1 78976532 VCKIYFYAPCJVEZ-UHFFFAOYSA-N 403.301 4.761 0 40 HJAB O=C(NCc1ccc(C(=O)c2ccsc2)s1)c1cc(Br)cs1 96119913 MWKHZLSDIWHRLU-UHFFFAOYSA-N 412.355 4.795 0 40 HJAB COc1cccc(-c2nsc(NC(=O)CCc3ccccc3OC(F)(F)F)n2)c1 97545695 WGLUCCBUMFNUGN-UHFFFAOYSA-N 423.416 4.684 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 222603405 CHHAAHSFAHCGPH-HXUWFJFHSA-N 421.368 4.868 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCCOc1ccc(C)cc1 222931117 MWFRWJYQNLWNRB-XMMPIXPASA-N 424.585 4.529 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 223191044 KHPVAOMXNULNJH-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB COc1cc(C)c(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)cc1C(C)C 223801831 UIGVLBMIROZAMA-UHFFFAOYSA-N 401.450 4.624 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 224037991 UDIJJHZUBDWGRO-SFHVURJKSA-N 414.977 4.913 0 40 HJAB Cc1ccccc1OCCNC(=O)COc1ccc(C(C)(C)C)cc1Br 224251859 XAAWJWQDGPBIBA-UHFFFAOYSA-N 420.347 4.629 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224928882 XDBWKGRHADBGQC-NRFANRHFSA-N 400.950 4.605 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 225094555 NSMHVGBNEOBJNV-QHCPKHFHSA-N 424.585 4.697 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 225298663 XDIXSOOXGQRLOX-MRXNPFEDSA-N 403.891 4.663 0 40 HJAB COc1ccc(NC(=S)NCCCc2cccc(OC(C)C)c2)c2cccnc12 225566957 CYGIHXZWFLBYMW-UHFFFAOYSA-N 409.555 4.950 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 225573098 VSZKAEDOIXESEZ-XUZZJYLKSA-N 408.586 4.958 0 40 HJAB COc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3C)o2)c(N)c1 226348506 JQGJIIOURIJFDB-UHFFFAOYSA-N 401.260 4.861 0 40 HJAB C[C@@H]1Cc2cc(CN3CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 253594242 SWRULZWHTDBBPH-LJFZDNNRSA-N 421.585 4.521 0 40 HJAB COc1ccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)cn1 257287239 PPDDHLQIMWCMPB-IBGZPJMESA-N 411.889 4.690 0 40 HJAB Cc1ccccc1Cc1cccc([C@H]2CN(Cc3c(C)nn(C(C)C)c3C)CCO2)n1 257294844 QVYWRVHUYMYBLD-AREMUKBSSA-N 418.585 4.949 0 40 HJAB FC(F)(F)c1cccc(Cc2ccc([C@@H]3CN(Cc4cccnc4)CCO3)nc2)c1 257295341 QXXYJCCSKVSIFN-QFIPXVFZSA-N 413.443 4.660 0 40 HJAB CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)Cc2ccc(O)cc2)CO[C@H]1c1ccc(F)cc1 257343129 ZRPDCXBRHRGANC-HVCNVCAESA-N 411.517 4.869 0 40 HJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(N(C)C)cc2)S1 260788301 YNDQMVXMFNNXHA-NPFVIJTESA-N 403.555 4.528 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1Cl 408628925 YFOXFJQFVFHTQM-UHFFFAOYSA-N 401.688 4.677 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2c(C)cccc2C)C1 408639057 DZNHIOWXDLPBEJ-MRXNPFEDSA-N 415.331 4.620 0 40 HJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(-c2ccc(Cl)cc2)[nH]n1 408712901 AIQAVKLFDSLJNX-UHFFFAOYSA-N 412.298 4.583 0 40 HJAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(Br)cc2)S1 408807105 KHBFGKVEIOSPIY-UHFFFAOYSA-N 424.727 4.874 0 40 HJAB CCOc1cc([C@H]2NC[C@H](C(=O)O)S2)ccc1OCc1cccc2ccccc12 408979820 SLIDDRUMJAGKAK-YADHBBJMSA-N 409.507 4.606 0 40 HJAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)N3CCc4ccccc4C3)c12 409198871 MDAZEHHAJUBMSX-UHFFFAOYSA-N 414.427 4.534 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2C)cc1 409409049 MFAMCORVZJSHFW-UHFFFAOYSA-N 402.560 4.515 0 40 HJAB CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(Cc2ccc(F)cc2)CC[C@@]1(C)O 514289773 FCKPPUJIMLSDHD-QNWVGRARSA-N 418.578 4.506 0 40 HJAB biogenic,in-vitro COc1ccc2cc([C@H](C)C(=O)Nc3nc(-c4ccc5ccccc5n4)n[nH]3)ccc2c1 590405858 AVXMRZVCUCHDPY-HNNXBMFYSA-N 423.476 4.924 0 40 HJAB Cc1ccc([C@H](NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)c2ccccn2)cc1 685841304 VMLNOMLPYJLUAV-CVDCTZTESA-N 405.929 4.776 0 40 HJAB O=C(NCC(=O)N1CC=C(c2cccc3ccccc23)C1)Nc1cccc(Cl)c1 1137789514 APZWAEHLKRTEJQ-UHFFFAOYSA-N 405.885 4.541 0 40 HJAB O=C(c1ccncc1)N1CCCCCCCNCc2cc(-c3cccnc3)ccc21 2037931562 LNOGZWMTSIYRLY-UHFFFAOYSA-N 400.526 4.844 0 40 HJAB Cc1cccc(C)c1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918227 DJBDHCZQZVXMNR-UHFFFAOYSA-N 400.360 4.877 0 40 HJAB COc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2OC)c(Cl)c1 1017137 GDJYWDDODILFDV-UHFFFAOYSA-N 410.857 4.862 0 40 HJAB Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(Br)cc1F)CO3 2122704 VJCWGWAFZGZODL-UHFFFAOYSA-N 404.235 4.668 0 40 HJAB biogenic Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccco2)c(-c2ccccc2)c1=O 2228359 FDBOBNHGPRGRNL-UHFFFAOYSA-N 405.841 4.707 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 2441960 JVVODOQAVVRFFT-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB COc1cccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(F)ccc32)c1 2689918 HCQAJRGZLCQBEY-UHFFFAOYSA-N 401.437 4.737 0 40 HJAB CCCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCCC2 2739859 OHALINUJOXUXPV-UHFFFAOYSA-N 401.484 4.565 0 40 HJAB O=S(=O)(Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)c1ccc(Cl)cc1 2803922 GLEKTJKQQQPBSC-UHFFFAOYSA-N 416.717 4.692 0 40 HJAB COc1ccc(Br)cc1S(=O)(=O)Oc1ccc(Cl)cc1Cl 2997495 RCNIWDISMCOUNW-UHFFFAOYSA-N 412.088 4.532 0 40 HJAB Cc1ccccc1OCC(=O)Nc1cccc(NC(=O)COc2ccccc2C)c1C 3101051 SQELPFFBADXHEQ-UHFFFAOYSA-N 418.493 4.647 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1c(F)cccc1F)CC2 3282964 HAOBBDDKMHZRLU-OAQYLSRUSA-N 415.461 4.831 0 40 HJAB O=C(c1ccccc1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc4ccccc4c3)c(=O)n1C2 4237082 NLKUXCYYDSEISF-YADARESESA-N 420.512 4.928 0 40 HJAB biogenic,in-vitro Cc1noc(C)c1COc1ccc(C(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)cc1 4463814 YABPIHKYNNYJNA-QGZVFWFLSA-N 419.477 4.787 0 40 HJAB COCCCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccoc1C 4860876 LORYVNOJSRHUIM-UHFFFAOYSA-N 405.907 4.511 0 40 HJAB CCN(CC)c1ccc2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)c(=O)oc2c1 4930587 KNBXXMNZOOAGCU-UHFFFAOYSA-N 418.415 4.588 0 40 HJAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1OCc1ccccc1 4933451 MAULXQVPLVYUPI-UHFFFAOYSA-N 400.522 4.660 0 40 HJAB CSc1nc(NCCN(C)C)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 5047352 OCKZRISXPMHIDB-UHFFFAOYSA-N 415.632 4.622 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2C)c(C)c1 6234998 XJJQJJDBCBTUGC-UHFFFAOYSA-N 412.486 4.804 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)NCc1ccccc1 6344229 VJASBTBVXOISBD-UHFFFAOYSA-N 424.545 4.998 0 40 HJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(F)cccc1Cl 7689160 JGPOPMZSCBSTMR-UHFFFAOYSA-N 405.775 4.704 0 40 HJAB CCOc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1ccc(Cl)cc1 8254554 PXXNLEVIISCYAX-UHFFFAOYSA-N 404.923 4.624 0 40 HJAB COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)NC2=S)cc1 9189368 OUCNOTHBHPXZIC-QNGOZBTKSA-N 416.502 4.536 0 40 HJAB COc1cccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)c1 9250023 ODZFANGOQSMHDU-UHFFFAOYSA-N 406.507 4.934 0 40 HJAB O=C(CCc1ccc(-c2ccccc2)o1)O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 10269151 MAXYPIWYKGESAI-HSZRJFAPSA-N 407.441 4.581 0 40 HJAB Cc1[nH]c2ccc(C(=O)N3CCC[C@H](n4c(=O)oc5ccc(Cl)cc54)C3)cc2c1C 12184502 OFNQKKNWBKSYJH-KRWDZBQOSA-N 423.900 4.823 0 40 HJAB COc1ccc([C@H](NC(=O)CCc2ccc(-c3ccccc3)o2)c2nccn2C)cc1 12549994 IQKQSCHCVLBFGD-DEOSSOPVSA-N 415.493 4.527 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)c1 12778432 KPOSSXGCEKSGMO-UHFFFAOYSA-N 420.542 4.729 0 40 HJAB COc1ccccc1C(=O)COC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 12805476 HPLQYDQIHIZGRR-HZPDHXFCSA-N 407.491 4.781 0 40 HJAB CCc1ccc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1 12875816 RNCMRDXOPOIDQX-UHFFFAOYSA-N 406.404 4.634 0 40 HJAB CCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2C)n1 13013465 PWBBSSPESXMDSK-HNNXBMFYSA-N 406.511 4.883 0 40 HJAB COc1ccc(-c2nc(CSCC(=O)Nc3cccc(C(C)=O)c3)cs2)cc1 13019314 AFJLPFNJQCCLTF-UHFFFAOYSA-N 412.536 4.893 0 40 HJAB CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2C)CC1=O 14095534 LCQSTZDGZLJOEH-HXUWFJFHSA-N 405.542 4.930 0 40 HJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3C)cc2)cc1 15438979 OJYGDFQKSVHEQB-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB Ic1ccc(Nc2ncc(-c3nc4ccccc4o3)cn2)cc1 16545339 TUDXLXGLTBFPDZ-UHFFFAOYSA-N 414.206 4.633 0 40 HJAB O=C(C1CC1)N1CCC(c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)CC1 19294170 ODDYTLAZMQLXRK-UHFFFAOYSA-N 417.488 4.537 0 40 HJAB CC(C)c1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)ncc1-c1ccncc1 19451542 ZXSZDDOAUFOPRZ-UHFFFAOYSA-N 418.516 4.750 0 40 HJAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2ccccc2)C1 19529038 ALMPIBFFLZVETJ-RUZDIDTESA-N 418.562 4.626 0 40 HJAB Cc1nc(C)c(-c2nnc(SCc3noc(-c4ccccc4Cl)n3)o2)s1 25609255 WDJHVHUUZSHUKU-UHFFFAOYSA-N 405.892 4.806 0 40 HJAB Cc1cccc(C)c1-n1c(SCC(=O)NC2CCCC2)nnc1-c1ccccc1 28047302 OUOWSOAOZWHNMG-UHFFFAOYSA-N 406.555 4.702 0 40 HJAB O=C(CCCC(=O)c1cccs1)NCc1ccc(CN2CCc3ccccc32)cc1 31818577 OWZUTJRYXSISIC-UHFFFAOYSA-N 418.562 4.980 0 40 HJAB CCCn1c2ccccc2c2nnc(SCc3nc(-c4cccs4)no3)nc21 32778394 ZPIBKBQEJJJXFN-UHFFFAOYSA-N 408.512 4.793 0 40 HJAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 36092264 OIGGDHVREQYGHF-VUIMYGBESA-N 414.288 4.884 0 40 HJAB COc1ccc(-n2nc(C)c3c(C(=O)NCc4ccccc4Cl)cc(C)nc32)cc1 36617001 NZMYYSPNERDHAK-UHFFFAOYSA-N 420.900 4.629 0 40 HJAB C[C@H](OC(C)(C)C)[C@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 38138675 VIUVLZHFMIFLHU-YCRPNKLZSA-N 411.498 4.524 0 40 HJAB biogenic C[C@@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)CN1CCCCC1 40157745 AWBWWZPWAXJLJR-SFHVURJKSA-N 421.516 5.000 0 40 HJAB O=C(NCCCc1ccccc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 44909275 IKTQILXJJZRHHB-UHFFFAOYSA-N 405.369 4.954 0 40 HJAB Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)[C@H](C)n2ccnc2)cc1C 44952572 PKPSVAMFLSGJIO-FQEVSTJZSA-N 413.525 4.572 0 40 HJAB Cc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCc5ccccc5C4)nc3)cc2c1 48301966 YOMBZLPFUXHPEH-UHFFFAOYSA-N 422.532 4.739 0 40 HJAB O=C(CNc1ccc(Cl)cc1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 57563193 XPIQRXYXIXGEKY-UHFFFAOYSA-N 414.914 4.818 0 40 HJAB C[C@@H](NC(=O)c1cnc2scc(-c3ccccc3Cl)n2c1=O)c1ccccc1 64787981 MNDUMNZCMLRREY-CYBMUJFWSA-N 409.898 4.567 0 40 HJAB Cn1c(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc(Cl)c1Cl 71874281 VTAYCBYQPROMPK-LLVKDONJSA-N 410.326 4.767 0 40 HJAB CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](C5=CC(=O)NC5=O)CC[C@]4(C)C3=CC[C@@H]12 72126028 MBOKEBRRTSUMOO-CVRFEKSNSA-N 409.570 4.744 0 40 HJAB biogenic,in-vitro COCCn1cc(-c2csc(NC(=O)c3cc(C(C)C)on3)n2)c2ccccc21 72391492 WDTZKATYYBFRRM-UHFFFAOYSA-N 410.499 4.775 0 40 HJAB Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc(Br)cc2F)cc1 79026686 LIRZXBIYIQSFMP-LBPRGKRZSA-N 402.267 4.573 0 40 HJAB CCN(CC)[C@@H](CNC(=O)c1cccc(Oc2ccncc2)c1)c1cccc(OC)c1 79034141 CTOBSZLIINCAGG-DEOSSOPVSA-N 419.525 4.695 0 40 HJAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)Cc1csc(-c2ccccc2Cl)n1 84637071 GXAWVBNAJRJYGA-AUUYWEPGSA-N 400.931 4.634 0 40 HJAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc(C)cc1 101148170 KVSMBNVRPLHWLA-BEFAXECRSA-N 403.276 4.536 0 40 HJAB C[C@H](NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)[C@H]1C[C@@H]2CC[C@@H]1C2 101988253 DVINDJUGXNNONL-REWJHTLYSA-N 418.419 4.563 0 40 HJAB COc1ccc(C)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223080204 FFVOOJASWXBICT-UHFFFAOYSA-N 418.468 4.988 0 40 HJAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCC2CCCCCC2)c1 224110055 XBEOUODLLFHYII-UHFFFAOYSA-N 414.571 4.602 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224201116 VJVRJJAMGQRWIB-NRFANRHFSA-N 408.586 4.680 0 40 HJAB CCc1ccc(NC(=O)c2ccc(CN(CC)S(=O)(=O)c3ccccc3)cc2)cc1 224444819 RPPSSNWFHFGWAT-UHFFFAOYSA-N 422.550 4.712 0 40 HJAB Cc1nccn1-c1ccccc1CNC(=S)Nc1ccc(OC2CCCC2)cc1 225451354 WUOOTHURIPCNDT-UHFFFAOYSA-N 406.555 4.989 0 40 HJAB Cc1ccc(CN(C(=O)CCSc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)cc1 225518318 ZJPSEIZYCRAXJL-HXUWFJFHSA-N 412.599 4.728 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225691462 MCTMUBGYKHJNQA-OAQYLSRUSA-N 422.613 4.901 0 40 HJAB CCOC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c(I)c1 226333166 XECKPSAUNDAVBR-PKNBQFBNSA-N 422.262 4.755 0 40 HJAB Cc1cc(C)c(N2C(=O)[C@@H]3[C@H](c4ccccc4)C=C[C@@H](c4ccccc4)[C@H]3C2=O)c(C)c1 239296758 DFQXSXPRPJMBGK-QEGGNFSNSA-N 421.540 5.855 0 40 HJAB Cc1cc(Nc2nc(C)cs2)cc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 257342355 ZOGOOPKBLRYKPU-GOSISDBHSA-N 422.554 4.684 0 40 HJAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 409157714 VPHGNGVSGGOFBG-RBYWHNRPSA-N 424.522 4.847 0 40 HJAB COc1cccc(-c2ccc(C(=O)N3[C@H]4CC[C@H]3CC(Oc3cccnc3)C4)cc2)c1 585385853 IYCLNIRIPXXARA-VXKWHMMOSA-N 414.505 4.972 0 40 HJAB COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccs1)c1ccccc12 645706 PBTTZAPOVASIAV-UHFFFAOYSA-N 401.465 4.543 0 40 HJAB CC(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 796867 XOBHDZVHXZLMLT-KRWDZBQOSA-N 420.962 4.503 0 40 HJAB CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 823638 FAWXECJFJVYKRS-LERMDLETSA-N 420.509 4.625 0 40 HJAB CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C)cc1 877929 QBZIOCULXWEQCF-UHFFFAOYSA-N 415.950 4.603 0 40 HJAB CCCc1nc2sc3c(NC[C@H]4CCCO4)ncnc3c2c2c1COC(C)(C)C2 1254274 VLFWHRSJRLBRIS-CYBMUJFWSA-N 412.559 4.634 0 40 HJAB CCc1ccc2nc3sc(C(=O)Nc4cc(OC)ccc4OC)c(N)c3cc2c1 1342796 IBOIGQTVBCRLQB-UHFFFAOYSA-N 407.495 4.864 0 40 HJAB CC[C@H](C)OC(=O)c1c(N)n(-c2ccc(OC)c(Cl)c2)c2nc3ccccc3nc12 2425487 VVQNDIFOCUVQES-LBPRGKRZSA-N 424.888 4.773 0 40 HJAB CCCCO[C@H]1C[C@H](c2ccc(OCc3ccc(OC)cc3)c(OC)c2)N(C)O1 4002174 KHROVKCHSKLFGG-NFBKMPQASA-N 401.503 4.734 0 40 HJAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(C(F)(F)F)cc1 4033154 PSMVXUNNEAPXFP-UHFFFAOYSA-N 412.371 4.676 0 40 HJAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3C=O)[C@H](COC(C)=O)CC[C@H]12 4073405 ZHHSQWXVDIXZCB-WBNGOHOVSA-N 418.530 4.600 0 40 HJAB biogenic C[C@@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)c1ccccc1 4084808 SMBBHPVLMHSHPM-PWBHZWRTSA-N 421.500 4.515 0 40 HJAB biogenic COc1ccc(CNCC[C@@]2(c3ccc(F)cc3)CCOC(C)(C)C2)cc1OC 4770080 FHBLOJNNNGOMKZ-XMMPIXPASA-N 401.522 4.850 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1-c1ccccc1 4840890 YQJXPODHAMAEJY-HNAYVOBHSA-N 410.543 4.623 0 40 HJAB Cc1csc2nc(-c3cccc(NS(=O)(=O)c4ccc(Cl)s4)c3)cn12 5084029 CCHMQXOIAKXJSI-UHFFFAOYSA-N 409.945 4.887 0 40 HJAB Cc1cccc(NC(=S)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)c1 5988547 CPWBSXCVVIRABC-UHFFFAOYSA-N 414.534 4.631 0 40 HJAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(OC(C)C)cc2)cc1 6630456 JVVVPOYGCDRPRK-UHFFFAOYSA-N 418.493 4.893 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 8434359 FTTDWVCYHGBMDR-HZPDHXFCSA-N 416.399 4.637 0 40 HJAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 9417395 GUBPOGOCEVBFQC-GOSISDBHSA-N 424.551 4.517 0 40 HJAB Cc1ccc(-n2ccnc(SCC(=O)Nc3ccc(C(C)C)cc3)c2=O)cc1F 9761441 DATJWEULJGRASY-UHFFFAOYSA-N 411.502 4.534 0 40 HJAB COc1cc(CN(C(=O)c2ccccc2Cl)c2ccccn2)cc(OC)c1OC 11916255 DGARUGCQWNANKE-UHFFFAOYSA-N 412.873 4.608 0 40 HJAB COc1ccc(-c2noc(CCC(=O)N(c3ccccc3)c3nc(C)cs3)n2)cc1 12482656 PIVJNOXBZVIXDK-UHFFFAOYSA-N 420.494 4.808 0 40 HJAB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(C)cc1C)n2CC 12538209 BLUCGLGXZVBXRC-UHFFFAOYSA-N 411.527 4.581 0 40 HJAB CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12781178 XMLPSVDNBXAKEE-DHZHZOJOSA-N 416.974 4.702 0 40 HJAB COc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc(Cl)c1OC(C)C 12823793 UPHGGZYSWJGEBW-UHFFFAOYSA-N 402.882 4.714 0 40 HJAB COc1ccc(OC)c(CNC(=O)c2ccccc2CSc2nc(C)cs2)c1 12850576 KEXJCAGXQMTLCZ-UHFFFAOYSA-N 414.552 4.691 0 40 HJAB COc1ccccc1C(=O)NCCCc1nc2ccccc2n1Cc1ccccc1F 13039577 JDFSTHDYRIONSC-UHFFFAOYSA-N 417.484 4.595 0 40 HJAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NCc1ccccc1 13955547 RPGFOHPOQKMTBW-AREMUKBSSA-N 423.516 4.728 0 40 HJAB CCOc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 14189975 UIADDRZGGSNSRU-REWPJTCUSA-N 421.541 4.693 0 40 HJAB COC(=O)c1ccc(NC(=O)CSc2ncc(-c3cccc(Cl)c3)o2)cc1 16841005 JXUILJIRRFRLRD-UHFFFAOYSA-N 402.859 4.512 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1OC 16959670 JULLRWGWKXRSPT-UHFFFAOYSA-N 422.506 4.611 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)cc1 17306581 WMEQFTLKMILFJV-UHFFFAOYSA-N 423.469 4.939 0 40 HJAB CCCc1cc(C(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)no1 19525311 MXBLPJOQGIHJJA-GFCCVEGCSA-N 406.408 4.542 0 40 HJAB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1cccc(Cl)c1 19927819 VLCBUAKEWTXOFD-UHFFFAOYSA-N 423.723 4.618 0 40 HJAB CC[C@@H](C)Nc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20391323 QOTJUZCVTXAPLS-CYBMUJFWSA-N 411.575 4.901 0 40 HJAB O=c1oc2ccccc2c(NC2CCCC2)c1NS(=O)(=O)c1ccc(Cl)s1 20533785 HWDJDTYGSLJVFX-UHFFFAOYSA-N 424.931 4.663 0 40 HJAB CCOc1ccc(NC(=O)c2cn(CC)c3ccc(C(F)(F)F)cc3c2=O)cc1 22236827 UEGMGVOWNDAWGW-UHFFFAOYSA-N 404.388 4.691 0 40 HJAB O=C(CCc1ncc(-c2ccccc2F)o1)OCc1cc(Cl)c2c(c1)OCCO2 22279871 HIWCYWJBMSUELK-UHFFFAOYSA-N 417.820 4.581 0 40 HJAB CC1CCN([C@@H](CNC(=O)CCc2ncc(-c3ccccc3)o2)c2cccs2)CC1 22681478 TYLGSIJUAXUPJC-FQEVSTJZSA-N 423.582 4.925 0 40 HJAB CC1CCN([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22852563 FENZKNZTVGUNDT-HNNXBMFYSA-N 400.529 4.639 0 40 HJAB Cc1nc2ccc(NC(=O)CCCc3ccccc3)cc2c(=O)n1-c1ccc(F)cc1 23143914 JCBSEAFILGSAKV-UHFFFAOYSA-N 415.468 4.795 0 40 HJAB O=C(Nc1ccccc1C(=O)NC1CC1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 24979564 TVDJMGMLULRLMI-XMMPIXPASA-N 424.504 4.525 0 40 HJAB COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3Cc3ccccc3)s2)cc1OC 25518593 NDAINEUNJXMZJY-IBGZPJMESA-N 422.550 4.983 0 40 HJAB Cc1cc(C(=O)Cn2cccc(C(F)(F)F)c2=O)c(C)n1[C@H](C)c1ccccc1 27064183 YWJFPSLIRNKPID-OAHLLOKOSA-N 402.416 4.778 0 40 HJAB Cc1ccc2nc(COC(=O)c3cc(-c4ccco4)nc4c3cnn4C(C)C)cn2c1 31172702 BAOGKHFJNSOUSE-UHFFFAOYSA-N 415.453 4.585 0 40 HJAB COc1ccc(-c2cnn3c(C)c(C(=O)Nc4ccccc4Cl)cnc23)cc1OC 38829682 AAXUUEWNQBLIOI-UHFFFAOYSA-N 422.872 4.628 0 40 HJAB COc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OCN(Cc2ccco2)C4)cc1 54313259 CYFYSLBTWIZCBJ-UHFFFAOYSA-N 403.434 4.722 0 40 HJAB biogenic CC(C)c1ccc([C@@H](NCC(=O)Nc2ccc3c(c2)OCCO3)c2cccs2)cc1 57273755 QLVKHYFCTXODGZ-XMMPIXPASA-N 422.550 4.960 0 40 HJAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)N1CCCc2ccccc21 57486705 DEQLDYVELSZCMP-UHFFFAOYSA-N 418.884 4.838 0 40 HJAB O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)Nc1cccc(F)c1 57511027 CZWXYQYEDOBMQX-UHFFFAOYSA-N 412.877 4.920 0 40 HJAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN([C@@H](C)Cc4ccc(F)cc4)C3)cc2n1 57774661 CZBRAZBQHFURHJ-GOEBONIOSA-N 420.454 4.870 0 40 HJAB CCCCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)cc1OC 58161216 SXOWIPGSZXFSGH-UHFFFAOYSA-N 419.481 4.774 0 40 HJAB Cc1ccccc1-c1cc2c(N3CCN(c4ccc(Cl)cc4)CC3)nccn2n1 67285494 VWTIGOKCEIJGEA-UHFFFAOYSA-N 403.917 4.685 0 40 HJAB Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(C(=O)c4ccco4)CC3)c12 72335999 RMFGJXSMDLQPMQ-UHFFFAOYSA-N 422.529 4.830 0 40 HJAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 72345070 NGGBQUSDDVGCIX-RXVVDRJESA-N 424.610 4.747 0 40 HJAB C[C@H](NC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1cccc(C(F)(F)F)c1 72427649 MXZCCGXANBRYJT-LBPRGKRZSA-N 418.371 4.623 0 40 HJAB Cc1nc([C@H]2CCCN(Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)C2)n[nH]1 79108999 CYYIEVPEILVESJ-SFHVURJKSA-N 420.948 4.544 0 40 HJAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3-c3ccccc3)n2)s1 84205748 OKFFCPPYWKSIJX-UHFFFAOYSA-N 401.491 4.586 0 40 HJAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4ccccc4C)C3=C(O)C2)c(OC)c1 102316499 WJMJNNQUNMHWHS-CMJOXMDJSA-N 416.481 4.669 0 40 HJAB COc1ccc(CCNC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)cc1OC 103533913 SWXLLKOAXPBDLW-CUFNRJLSSA-N 419.565 4.901 0 40 HJAB COc1cc(C(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)cc(OC)c1OC 206877761 QSIXNDLOYNMAGI-MRXNPFEDSA-N 403.906 4.776 0 40 HJAB CC[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(S(C)(=O)=O)cc1 218979671 AMAJZVPDPMSDFP-HSZRJFAPSA-N 423.534 4.550 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 223222022 ARXRSRSPNRDCTQ-JOCHJYFZSA-N 424.585 4.713 0 40 HJAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1Cl 223918747 PYGKLZRBJCBUFZ-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(CN2CCCC2)c1 224624638 DJQABONKMUGKPO-RUZDIDTESA-N 402.538 4.909 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C 224739200 WVIBZKVTVBAIBJ-HXUWFJFHSA-N 424.585 4.615 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 225162555 QGXQLJAOCNDWFD-MOPGFXCFSA-N 414.977 4.831 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 225165097 QKMTWYKJDXNXMQ-JOCHJYFZSA-N 412.599 4.811 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](CC)C(=O)N[C@H](C)CC)cc1 225485230 GWXREMVSBOMHEK-HYBUGGRVSA-N 408.586 4.904 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)C)c1 225515237 FWMRKPWGCCTBTL-INIZCTEOSA-N 421.368 4.786 0 40 HJAB CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CCN(Cc3ccc(C(C)C)cc3)C2)nc1C 257236624 HCZWPYRIUGRWDZ-HSZRJFAPSA-N 422.617 4.617 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257336168 YNLNOJHJPBKACM-NRFANRHFSA-N 412.436 4.676 0 40 HJAB CN(C)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 408960085 JFEKCDUOWSLYBO-QNGOZBTKSA-N 403.507 4.780 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)n2CC(C)C)c1 409095496 HZDHOZBJIYTBPX-UHFFFAOYSA-N 408.571 4.873 0 40 HJAB CSc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 409230864 GRUNKBZIJQJXJS-MHWRWJLKSA-N 418.927 4.737 0 40 HJAB Cc1cccc([C@@H](NC(=O)Nc2nc3ccc(Cl)nc3s2)c2ccccn2)c1 1671457220 AAQPRGAHTSWCDX-QGZVFWFLSA-N 409.902 4.959 0 40 HJAB Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(CC3CCC3)c(=O)c12 1889130407 AVKIFJLHWNIQPX-UHFFFAOYSA-N 412.902 4.937 0 40 HJAB O=C1OC(c2ccccc2Br)=N/C1=C/c1ccccc1Br 829602 UPCKNPJLUOGZML-NTEUORMPSA-N 407.061 4.556 0 40 HJAB COc1ccc(C(=O)N[C@@H](c2ccc(C(C)C)cc2)n2nnc3ccccc32)cc1 885432 CEVZOZHPRFIFPH-HSZRJFAPSA-N 400.482 4.540 0 40 HJAB COc1ccc(C)cc1NC(=O)c1ccc(OCC(=O)Nc2ccccc2C)cc1 937232 WYFFFRDQEKWKSQ-UHFFFAOYSA-N 404.466 4.582 0 40 HJAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(N2CCOCC2)cc1 949071 WRFYIGQWUGXGJE-UHFFFAOYSA-N 405.498 4.609 0 40 HJAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Sc3nccn3C)n2)cc1 1064983 IDOISQAFTIDVGW-UHFFFAOYSA-N 403.515 4.860 0 40 HJAB CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccccc3Br)cc12 1463699 HIWISRCFGFWQBE-UHFFFAOYSA-N 403.228 4.900 0 40 HJAB biogenic CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccccc2)sc2c1CC[C@H](C)C2 2080075 XPVQTZGUOLVFTK-WMLDXEAASA-N 401.528 4.846 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3350833 MWGIDQHSGLILDO-UHFFFAOYSA-N 410.905 4.651 0 40 HJAB CC[C@H](NC[C@@H](O)COCc1ccccc1Cl)c1ccc(Br)cc1 3441520 COPLWPMLFGPMNU-MJGOQNOKSA-N 412.755 4.721 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 4286979 YTXAKKJAJXJXHA-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB O=C(CCN1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(C(F)(F)F)c1 4618717 JLGJDGFCMSFJRD-UHFFFAOYSA-N 411.855 4.510 0 40 HJAB CC1(C)Cc2c(sc3ncn4nc(-c5cc6ccccc6cc5O)nc4c23)CO1 4887897 NJRMUMITIUMUKB-UHFFFAOYSA-N 402.479 4.716 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccnc2)N1c1nc2ccccc2s1 5246612 SSPHXCUKEOYZQF-IBGZPJMESA-N 411.442 4.548 0 40 HJAB CC(=O)[C@H](SC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N(C)C 5413836 KLRYICJDAASNKW-QHCPKHFHSA-N 403.547 4.758 0 40 HJAB O=C(COc1ccccc1-c1nc2ccccc2s1)Nc1ccc2c(c1)OCO2 6785469 MWSZAQHKMMNNFV-UHFFFAOYSA-N 404.447 4.710 0 40 HJAB O=C(CSc1ncnc2ccccc12)N1c2ccccc2OC[C@@H]1c1ccccc1 7191866 MUOAIMLMTBAHEF-OAQYLSRUSA-N 413.502 4.889 0 40 HJAB O=C(/C=C/c1nc2ccccc2s1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8074596 NABSPVAJMDAYTO-ZGKFYVQTSA-N 406.507 4.835 0 40 HJAB COc1ccc2c(CC(=O)N[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)coc2c1 8315411 AMYQJJBAOBRRRV-XMMPIXPASA-N 409.482 4.659 0 40 HJAB COc1ccc(CN2C(=O)/C(=C\NCCC3=CCCCC3)c3ccccc3C2=O)cc1 8487498 XLWCZEIURICJLY-ULJHMMPZSA-N 416.521 4.699 0 40 HJAB COc1cccc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)c1 8836587 OBKJRLOEJGHPQV-UHFFFAOYSA-N 424.460 4.522 0 40 HJAB CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc1 8846054 FBUIPURWIQUHFC-NRFANRHFSA-N 414.486 4.655 0 40 HJAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cccc(F)c1 9892141 LEHBZKLSGFDHSW-UHFFFAOYSA-N 421.453 4.769 0 40 HJAB O=c1c2sc3ccccc3c2n(Cc2ccccc2F)c(=O)n1-c1ccc(F)cc1 9959507 HOKGWSHTEXWIHW-UHFFFAOYSA-N 420.440 4.694 0 40 HJAB O=c1c2sc3ccccc3c2n(Cc2ccc(F)cc2)c(=O)n1-c1ccc(F)cc1 9959509 ZHSJNDNYLUOSAN-UHFFFAOYSA-N 420.440 4.694 0 40 HJAB COc1cccc(C(=O)N2c3ncnn3[C@@H](c3ccc(C)cc3)C[C@H]2c2ccccc2)c1 10060310 YFKWNKXERRLMPB-BJKOFHAPSA-N 424.504 4.976 0 40 HJAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccccn2)cc1 10215699 DWDXWLLKTYUBGC-ZJSXRUAMSA-N 401.466 4.731 0 40 HJAB O=c1nc(SCc2ccc(C(F)(F)F)cc2)c2c(n1C[C@@H]1CCCO1)CCCC2 10255550 GAUICXRBYBLAID-INIZCTEOSA-N 424.488 4.612 0 40 HJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cccc(C)c2C)cc1 11117468 PNFULZPRCWYNRF-FCHUYYIVSA-N 407.539 4.820 0 40 HJAB O=C(COc1ccccc1)Nc1ccc(Br)cc1C(=O)c1ccccc1 11612135 XOXUWRNZLKISCM-UHFFFAOYSA-N 410.267 4.698 0 40 HJAB Cc1sc(NC(=O)CCC2CCCCC2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11904292 GTZUKNYWAJQVAG-UHFFFAOYSA-N 413.543 4.773 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)s1 13014816 OCWPAFHOTQRHCO-INIZCTEOSA-N 414.552 4.691 0 40 HJAB CCOc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1 13671202 VDGCFTZGSQKSHH-QHCPKHFHSA-N 422.506 4.705 0 40 HJAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 13685708 PQIUDHVYKLNEJT-FQEVSTJZSA-N 416.521 4.682 0 40 HJAB C[C@@H](NCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(-c2ccccc2)cc1 14199162 QUCPJRKJXVVNFM-LJQANCHMSA-N 413.521 4.770 0 40 HJAB Cc1sc2ncnc(Sc3nnc(N4CCC(C)CC4)n3C3CC3)c2c1C 14311127 KSJKEVJYAAJBOK-UHFFFAOYSA-N 400.577 4.622 0 40 HJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14400403 AQSVOFOVZITBBA-HOTGVXAUSA-N 402.922 4.891 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 15796513 IBSWDPDRJGXHIB-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 17903393 FXTDZDPFWIBBMS-MRXNPFEDSA-N 403.526 4.566 0 40 HJAB COc1ccc(C)cc1CN1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 19133479 RUKBHXIDJAUGSL-LSBZLQRGSA-N 408.468 4.845 0 40 HJAB Cc1cccc(CNc2n[nH]c3nc([C@H]4CCCN(Cc5ccccc5)C4)ccc23)n1 19742661 WATCIACYONBFPE-FQEVSTJZSA-N 412.541 4.653 0 40 HJAB Oc1c([C@H](c2ccccc2)N2CCC(Cc3ccccc3)CC2)sc2ncnn12 22609146 YKMMFBNIDUBHNU-FQEVSTJZSA-N 404.539 4.541 0 40 HJAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN(Cc2ccc(Cl)cc2)CC1 22792802 JNHKUFUABZDVJS-HNNXBMFYSA-N 404.892 4.964 0 40 HJAB CCOC(=O)c1cc(CC)sc1NC(=O)Cc1csc(-c2ccsc2)n1 23199791 QKAXAYNLJNLVER-UHFFFAOYSA-N 406.554 4.853 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1OC 23386372 ILLJNBOBQPDOPO-OAQYLSRUSA-N 407.510 4.519 0 40 HJAB COc1cccc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)c1 26045626 TYZDKAZRTGQYLA-UHFFFAOYSA-N 406.507 4.516 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 30998552 JVKSFFFDUPKJPC-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB Cc1cc2oc(C(=O)Nc3nc(SCc4ccccc4)ns3)cc(=O)c2cc1C 32593832 FGHYHIBXQUWNPO-UHFFFAOYSA-N 423.519 4.806 0 40 HJAB CCN(CC(=O)Nc1ccc(C)cc1Br)[C@@H](C)c1cccc(OC)c1 32927262 MRGNOKYUCXZIRA-HNNXBMFYSA-N 405.336 4.788 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)n3cccc(C)c3n2)cc1 33026017 YXEDFIRXOHBIAQ-UHFFFAOYSA-N 415.518 4.856 0 40 HJAB O=C(Nc1ccccc1SCc1ccsc1)N1CCN(Cc2ccncc2)CC1 40104272 KAERYNUINRCBCN-UHFFFAOYSA-N 424.595 4.785 0 40 HJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)Cc1ccc(Cl)cc1 40112218 MJBLJHAKQWDSNY-CQSZACIVSA-N 402.325 4.908 0 40 HJAB Cc1ccc(-c2csc3c(=O)[nH]c(N4CCN(c5cccc(C)c5)CC4)nc23)cc1 44167983 SHXNYRCYUXFYER-UHFFFAOYSA-N 416.550 4.595 0 40 HJAB CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2)C1 44803643 IWAWGFYLGAQNJA-OAHLLOKOSA-N 410.905 4.537 0 40 HJAB O=C(CCOc1ccccc1-c1ccccc1)NCc1cnn(Cc2ccccc2)c1 48333996 NYEJDNLGOJHZLE-UHFFFAOYSA-N 411.505 4.684 0 40 HJAB O=C(CSc1cc(NCc2ccc(Cl)cc2)ncn1)Nc1ccccc1F 49006721 ITGSVFNDTVTZCT-UHFFFAOYSA-N 402.882 4.612 0 40 HJAB Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2c1ccccc1 49548965 ZGDDGVWQBKHHCX-AWEZNQCLSA-N 405.306 4.954 0 40 HJAB CC(C)CN(CC(F)(F)F)C(=O)c1cc(Br)c(Br)s1 58910257 JMIGLDHTHAGKDJ-UHFFFAOYSA-N 423.092 4.934 0 40 HJAB C[C@](O)(CNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1)c1ccsc1 72306594 CXOIYULKIRRHLE-NRFANRHFSA-N 418.465 4.731 0 40 HJAB O=C(c1csc(-c2ccc(Cl)s2)n1)N(C[C@H]1CCCO1)[C@H]1CCSC1 84445411 HENAJMSCFWJEFT-NWDGAFQWSA-N 415.005 4.652 0 40 HJAB O=c1ccnc2sc(N[C@H]3CCCCC[C@@H]3c3ccccc3C(F)(F)F)nn12 95458754 YNNMUVBPPDIKSY-HIFRSBDPSA-N 408.449 4.698 0 40 HJAB COc1cccc([C@@H]2SC(C)=Nc3c2c(O)nn3[C@@H]2CCOC(C)(C)C2)c1OC 95480669 OOYQKAXJFIUUGH-ACJLOTCBSA-N 417.531 4.622 0 40 HJAB CC(C)c1nc2ccc(NCC(=O)Nc3cc4c(cc3Cl)OCCO4)cc2s1 95956008 KYRAHOFFJAUHSX-UHFFFAOYSA-N 417.918 4.895 0 40 HJAB O=C(Nc1cccc(F)c1)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 96037769 XHIIEBYPZIZJQX-UHFFFAOYSA-N 413.456 4.809 0 40 HJAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1noc2c1CCCC2 96358317 YLBVWYPRNIWCNE-UHFFFAOYSA-N 406.467 4.508 0 40 HJAB CN(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CCCCC3)CC2)n1 100738937 NHYLXGKMVOEAFB-PUZFROQSSA-N 421.589 4.575 0 40 HJAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCc5ccccc5OC)(C4)C2)C3)cc1 100777506 FWTFOGDRZGJUNM-JKRLWXMKSA-N 405.538 4.858 0 40 HJAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N1CCC(Cc2ccccc2)CC1 139351913 JKIHJJNHPUGNTC-QHCPKHFHSA-N 412.533 4.688 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccn(-c4ccc(OC)cc4)c3)N21 222719234 FQVHLDJHDHTFCU-ZPMCFJSWSA-N 404.539 4.860 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 223091121 NXGYPQFGQRVIOF-NRFANRHFSA-N 424.585 4.831 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 223094358 BZKCEKRIAJWDMI-HXUWFJFHSA-N 412.599 4.729 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1Cc1cccnc1 223479289 ACOAHSATCUWAGL-DHIUTWEWSA-N 417.582 4.956 0 40 HJAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 223796276 FATAWGGIEPQROY-UHFFFAOYSA-N 416.587 4.597 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)c1 224704387 VNSPMQQUYLWEGW-OAQYLSRUSA-N 406.570 4.712 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1CN1CCCCC1 224836984 CUMBWZQMYUSGEA-JOCHJYFZSA-N 400.950 4.800 0 40 HJAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCCNc1ccccc1 225033721 TXSSUWJKLILZJY-UXHICEINSA-N 408.596 4.926 0 40 HJAB COC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCC(C)CC1 225640512 RSVIQMZCZKDQAI-UDYWXPHVSA-N 402.579 4.577 0 40 HJAB CCOc1ccc([C@H](C)NC(=S)Nc2cccc(C(=O)OC)c2C)cc1OCC 225750492 APONLDNDULCREN-HNNXBMFYSA-N 416.543 4.627 0 40 HJAB CCCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cc1C(=O)OCC 225834519 CGPMCWXSPNPFKC-UHFFFAOYSA-N 405.535 4.966 0 40 HJAB Cc1nc2nc3ccn([C@@H]4CCC[C@@H](C)[C@H]4C)c(=O)c3c(-c3ccc(F)cc3)n2n1 253564564 GQUFVIMCKZPHRD-PJIJBLCYSA-N 405.477 4.551 0 40 HJAB CCCC(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(=O)N(C)C)CC1 257258375 KTOXKJKQMFYOJJ-UHFFFAOYSA-N 410.533 4.532 0 40 HJAB CCCN(CCC)C(=O)CSc1nnc(Cc2ccccc2)n1-c1cccc(C)c1 409208432 BQKXGPIVEWRESV-UHFFFAOYSA-N 422.598 4.907 0 40 HJAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 409411075 TYRWBXDERGEDCJ-GIDUJCDVSA-N 410.470 4.587 0 40 HJAB CO[C@@H](CNC(=O)CCc1ccccc1Br)c1cc2ccccc2o1 618255308 ARSJPDOQOKCVOD-IBGZPJMESA-N 402.288 4.632 0 40 HJAB CCC1(CC)[C@@H](N(C)C(=O)c2cc(-c3cc(OC)ccc3Cl)no2)C[C@H]1OC 1526628363 VJVLAHNODYOADL-RBUKOAKNSA-N 406.910 4.669 0 40 HJAB CC(C)(NC(=O)c1cnc(OCc2ccccc2)cn1)c1ccc(C(F)(F)F)cc1 1536879109 SDZKRFDDBFXOKG-UHFFFAOYSA-N 415.415 4.740 0 40 HJAB COC(=O)C[C@@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)c1cccc(C)c1 1588055174 HEKBFLPUMMGUFN-QGZVFWFLSA-N 404.388 4.529 0 40 HJAB C[C@@]1(NC(=O)CCO)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cccc(Cl)c2O)C1 1848357439 MCDGJGDMIPVICW-WAOWUJCRSA-N 424.324 4.549 0 40 HJAB Cc1cc(OC[C@]2(O)CCCN(C(=O)c3cc(F)ccc3F)CC2)cc(C)c1Cl 2037912500 MDBNEBIJQFYZDW-QFIPXVFZSA-N 423.887 4.671 0 40 HJAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)c(OC)c4)c(N)c3cc2C1 661866 CAQTZXOSKQUSGT-LBPRGKRZSA-N 411.527 4.663 0 40 HJAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc3c4c(cccc24)CC3)NC(=O)N1C 727083 GIJFTDWCGSVFKV-DEOSSOPVSA-N 411.505 4.856 0 40 HJAB O=C(NC1CCCCCC1)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 854818 RYXWIHVTBCDVBR-HSZRJFAPSA-N 406.526 4.589 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(OC)cc(OC)c1 951815 RJOYEOFUTPBXCY-UHFFFAOYSA-N 411.479 4.861 0 40 HJAB Cc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 1439270 LZSKACSSSVHSMY-OAQYLSRUSA-N 414.505 4.874 0 40 HJAB CC1CCN(c2nc3c(-c4cccc(Br)c4)nnn3c3ccccc23)CC1 2712928 LFWICUXPAVPFBR-UHFFFAOYSA-N 422.330 4.943 0 40 HJAB CC(C)N(Cc1ccccc1)C(=O)COc1ncnc2sc3c(c12)CC[C@@H](C)C3 3280241 PWAJMGBZFBIETJ-MRXNPFEDSA-N 409.555 4.632 0 40 HJAB O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1ccccc1OC(F)F 3294548 KVVUVHBIZBMFDX-UHFFFAOYSA-N 417.433 4.715 0 40 HJAB Cc1nc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)sc1C 4093116 DMCUDHXYPZVQMI-UHFFFAOYSA-N 401.561 4.741 0 40 HJAB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc2ccccc12 4262981 AGDHPFHBHOCBOS-QFIPXVFZSA-N 401.466 4.505 0 40 HJAB Cc1ccc2nc(N(CCCN(C)C)C(=O)c3nc4ccccc4s3)sc2c1 4359531 FBDZQFVYVWRBTK-UHFFFAOYSA-N 410.568 4.813 0 40 HJAB CCOc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccccc1 4518154 NRIWLSXLVXAWEF-UHFFFAOYSA-N 405.502 4.642 0 40 HJAB COc1cccc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@H]2c2ccccc2)c1 4815012 PDWQODMSHOYVKR-GOTSBHOMSA-N 410.477 4.668 0 40 HJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccccc1OC(F)F 5585650 VNDCGFWBMOOJHE-GOSISDBHSA-N 418.465 4.561 0 40 HJAB COc1ccc(OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)c(C(C)=O)c1 6510283 IOBSDKGSGHQHHH-UHFFFAOYSA-N 419.433 4.823 0 40 HJAB CCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 6587898 ZYPZINPKUOWTEU-CYBMUJFWSA-N 418.925 4.727 0 40 HJAB CC(C)(C)c1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 6639737 HOBVMHOAHAYNNA-UHFFFAOYSA-N 411.505 4.995 0 40 HJAB Cc1ccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2CCCOC(C)C)cc1 8022913 SXILWZFTVZFWNX-ZHSJKAEUSA-N 419.521 4.788 0 40 HJAB O=C(/C=C/c1ccc2ccccc2n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8709555 UHPBTIQUOUWBSK-SDNYCIMKSA-N 400.478 4.773 0 40 HJAB O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1)c1ccc(Cl)cc1 9062100 LOENHWHQBQAPQN-UHFFFAOYSA-N 418.840 4.895 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](NC[C@H]1COc2ccccc2C1)c1ccccc1 9315073 KRQPQYTZIDADTM-UQBPGWFLSA-N 416.521 4.524 0 40 HJAB COc1cc2c(cc1NC(=O)[C@H](C)Sc1nnc3ccccn13)oc1ccccc12 9641638 GALNQLWTZBEXDA-ZDUSSCGKSA-N 418.478 4.757 0 40 HJAB O=C(CCc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 12420854 SUTWSXFJOUEEGM-RUZDIDTESA-N 406.489 4.940 0 40 HJAB Cc1cc(C)c2c(c1)SC1=N[C@](c3ccccc3)(C(F)(F)F)N(C(N)=O)C(=O)N12 12788548 JZCLQBGWGPZJHM-SFHVURJKSA-N 420.416 4.501 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 12797207 UBZAMTITGVDGTF-QFIPXVFZSA-N 422.960 4.709 0 40 HJAB COc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 12812103 QZVXKQLHYIWYPV-MRXNPFEDSA-N 419.852 4.893 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-n2cccc2)c1 15881926 XEEXDCVMKZALGS-UHFFFAOYSA-N 423.929 4.751 0 40 HJAB CCN(CC)CCNc1nc(Nc2ccc(C)cc2)c2cnn(-c3ccccc3)c2n1 17287673 NSPVKWFPKPOKLC-UHFFFAOYSA-N 415.545 4.621 0 40 HJAB Cc1ncsc1-c1nnc([C@@H]2CCCCN2C(=O)c2cccc3c(C)c(C)[nH]c23)o1 19576895 IFAMWDBIESACDU-KRWDZBQOSA-N 421.526 4.967 0 40 HJAB CCc1nc2ccccc2n1[C@H](C)C(=O)Nc1c(C)nn(Cc2ccc(F)cc2)c1C 19718456 HETOGFDSRJXOPV-QGZVFWFLSA-N 419.504 4.799 0 40 HJAB Cc1nc([C@H]2CCCN2CCCc2ccccc2)ncc1C(=O)Nc1ccccc1 19753521 XWWMXFKFGWDFJF-HSZRJFAPSA-N 400.526 4.807 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2cc(C)cc(C)c2)cc1 19947505 HNRBCYFYBCDTIP-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c(C)c1 20482513 DTDSISRSDBHREU-LJQANCHMSA-N 422.550 4.904 0 40 HJAB CSc1ccccc1NC(=O)c1cnc2scc(-c3ccc(C)cc3)n2c1=O 20768226 QMCHDRLTRFQGPI-UHFFFAOYSA-N 407.520 4.706 0 40 HJAB CCCN(CCC(=O)Nc1cccc(Cl)c1)Cc1nnc(-c2cccs2)o1 22199143 HBZPVJNLGCMGLF-UHFFFAOYSA-N 404.923 4.692 0 40 HJAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 22525194 VCRCJCJAVPMKOY-XMMPIXPASA-N 405.586 4.634 0 40 HJAB O=C(CSCc1ccccc1Br)Nc1ccccc1OC(F)F 22718135 CKMRNLJTGSOCAJ-UHFFFAOYSA-N 402.260 4.922 0 40 HJAB O=C(c1cccc2ccccc12)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 23137288 YHGOURDGGJOEFS-UHFFFAOYSA-N 403.507 4.514 0 40 HJAB CN(C)C(=O)c1ccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)cc1 26626437 UJVNSBCALBAVGB-UHFFFAOYSA-N 415.331 4.601 0 40 HJAB CCOc1ccccc1C(=O)NCCCC(=O)N[C@@H](C)c1cccc2ccccc12 27124783 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Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cnc(N3CCCCC3)c(C)c2)cc1 72219199 ICSNMEXSFDKLPM-QFIPXVFZSA-N 413.587 4.605 0 40 HJAB Cc1nc(C[C@@H]2CCCN(C(=O)C3CCCCC3)C2)cc(Nc2ncc(C)s2)n1 72382294 QRGQXJFEZUDVAB-KRWDZBQOSA-N 413.591 4.655 0 40 HJAB COc1cc(C)c(CN2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1C 72398604 WWQFYTGAMRRHEE-RDPSFJRHSA-N 423.601 4.823 0 40 HJAB COc1ccc(-c2nc(C)sc2C(=O)Nc2nc(-c3cccnc3)cs2)cc1 72402379 VLJBHJFENOJFBA-UHFFFAOYSA-N 408.508 4.898 0 40 HJAB O=C(c1cccc(Br)c1)N1CCC(COCc2ccc(F)cc2)CC1 77191499 QILMQKHCJCFAHH-UHFFFAOYSA-N 406.295 4.657 0 40 HJAB CCc1ccc2c(CNc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc(=O)oc2c1 95364980 JXGOCZNXWMNTOX-HZPDHXFCSA-N 410.489 4.720 0 40 HJAB O=C(Nc1cccc(CN(CCO)C2CCCC2)c1)c1ccc(Cl)cc1Cl 95453822 OGWNGWJBVSKAAP-UHFFFAOYSA-N 407.341 4.983 0 40 HJAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCCSc1ccc(Cl)cc1 96234448 SUPPPRPZPAVHNP-UHFFFAOYSA-N 401.919 4.921 0 40 HJAB COc1cc(C)c(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCC[C@H](C)C4)nc2C3)cc1C 100487474 YVELKOSVTCBXGK-LERMDLETSA-N 406.574 4.600 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C 223312293 BIWCOMDTLFROTN-JOCHJYFZSA-N 424.585 4.713 0 40 HJAB Cc1ccc(CN(C(=O)CSCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 223807812 NWCLQHIJMFEBFQ-HXUWFJFHSA-N 424.610 4.704 0 40 HJAB Cc1cnc(NC(=S)NCc2ccc(-c3ccccc3)o2)c(Br)c1 223909202 CRSUENILOOUBHL-UHFFFAOYSA-N 402.317 4.899 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(C)cc1 224108592 LZWGFMHMKZMGRP-QHCPKHFHSA-N 422.550 4.701 0 40 HJAB Cc1ccc(OCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1C 224550079 HVONSCDXLWLFPK-UHFFFAOYSA-N 418.940 4.503 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 224619359 HYNUXFYTJQFNPX-XMMPIXPASA-N 408.586 4.734 0 40 HJAB Cc1c(C=O)c2ccccc2n1C(=O)c1cc(I)ccc1Cl 226366995 GOKPNJKPQYYWRZ-UHFFFAOYSA-N 423.637 4.709 0 40 HJAB COc1cc(C)ccc1CN1CCC(c2cncc(Nc3nc(C)cs3)n2)CC1 257248276 JCXKHIFBYFHEFM-UHFFFAOYSA-N 409.559 4.682 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H](C)c3ccccc3)CC2)on1 257338737 YYUAPBLPRRPGSO-CUWPLCDZSA-N 418.541 4.942 0 40 HJAB Cc1cccc([C@H](C)C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H](C)c3cccc(C)c3)CC2)c1 532813908 MJLSQQHYKHKXDW-TZYAJKAJSA-N 406.570 4.754 0 40 HJAB CCN(CCC(F)(F)F)C(=O)c1cccc(C(=O)N(CC)CCC(F)(F)F)c1 623063127 QIGCKLKESGSIKE-UHFFFAOYSA-N 412.374 4.516 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@@H](COc2ccncc2)C1 1775970732 QELOYJMBULHEAX-MRXNPFEDSA-N 411.889 4.630 0 40 HJAB CC1(C)C[C@]2(CCCN2C(=O)c2ccc(C(F)(F)F)nc2)CN1c1ccc(F)cc1 2037988564 VUJYBDKFAFDKGV-OAQYLSRUSA-N 421.438 4.903 0 40 HJAB CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc(C)ccc1C 649376 XTWQSZHDZBOTCD-UHFFFAOYSA-N 423.586 4.875 0 40 HJAB Cc1cccc(NC(=S)N(Cc2cc3cccc(C)c3[nH]c2=O)C[C@H]2CCCO2)c1 884910 YCJRZXUJOYIPOH-OAQYLSRUSA-N 421.566 4.523 0 40 HJAB CC(=O)Nc1ccccc1SCC(=O)Nc1cc(C)c(C)cc1Br 983227 CQYYRWFDEJJKEK-UHFFFAOYSA-N 407.333 4.755 0 40 HJAB Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)C4CC4)sc3C)ccc21 1355664 TYXJLPJPDFKNQE-UHFFFAOYSA-N 417.534 4.978 0 40 HJAB COC(=O)c1ccccc1Sc1nc(-c2cccc(C(F)(F)F)c2)nnc1C 1400926 DSQPXRQINJWPTA-UHFFFAOYSA-N 405.401 4.804 0 40 HJAB O=c1c2c(nc3n1CCS3)c1cc(F)ccc1n2Cc1cccc(C(F)(F)F)c1 1428170 BJOFMCSMIZFXBR-UHFFFAOYSA-N 419.403 4.663 0 40 HJAB COc1cc(/C=C2\N=C(c3ccc(C(F)(F)F)cc3)OC2=O)ccc1OC(F)F 3326998 VYEFZVZDJVVCJI-JYRVWZFOSA-N 413.298 4.660 0 40 HJAB Cc1ccc(C(=O)[C@H](c2ccc(C)cc2)N2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 3375836 MQXMUVPYLWHCEN-NVQXNPDNSA-N 412.489 4.695 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1 4036337 XKWJGIOPVCLSFS-UHFFFAOYSA-N 411.508 4.558 0 40 HJAB COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1OC 4715795 ONKAVSVXAXMCIG-MHECFPHRSA-N 420.465 4.856 0 40 HJAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nccc(-c3ccc(Br)cc3)n2)C1 4967976 ZYVUFGBKQGKUQK-KBPBESRZSA-N 420.376 4.503 0 40 HJAB COc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 5252435 IBFDPFBFOLMWIH-CYFREDJKSA-N 400.434 4.666 0 40 HJAB CC[C@@H](C(=O)Nc1cc(-n2c(C)nc3ccccc3c2=O)ccc1F)c1ccccc1 5259093 GYJGYZLYUFOXGA-LJQANCHMSA-N 415.468 4.966 0 40 HJAB Cc1ccc(-c2csc(N3N=C4c5ccccc5C[C@H]4[C@]3(O)C(F)(F)F)n2)cc1 5275028 XVRQJTVUQZTZMR-UZLBHIALSA-N 415.440 4.766 0 40 HJAB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1cc2ccccc2o1 5904471 DGLJJCFPZGBVIR-UHFFFAOYSA-N 418.902 4.513 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)c1 6471474 WUFXKOVQZSXUJW-SFHVURJKSA-N 408.523 4.595 0 40 HJAB COc1cc(CCC(=O)Nc2nc3c(C)cc(C)cc3s2)cc(OC)c1OC 6627068 YWZIVGOGSWILME-UHFFFAOYSA-N 400.500 4.510 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1nc(-c2ccccc2)no1)C(C)(C)C 6757389 YZOPYIVTUOSJHC-UHFFFAOYSA-N 413.905 4.905 0 40 HJAB COc1ccc(NC(C)=O)cc1NC(=O)CN[C@@H](c1ccc(C(C)C)cc1)C(C)C 7804749 SKIDMQKTPQWHFJ-XMMPIXPASA-N 411.546 4.702 0 40 HJAB Cc1c(C(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)sc2ccccc12 8356527 RXFMNVACVQJDED-LBPRGKRZSA-N 405.570 4.627 0 40 HJAB Cc1ccc(NC(=O)c2nnc3c(-c4ccc(F)cc4)c(C)nn3c2C)cc1Cl 9053116 XDZIEMZCLAESPR-UHFFFAOYSA-N 409.852 4.761 0 40 HJAB COc1ccccc1-c1nnc(SCC(=O)Nc2c(Cl)cccc2Cl)n1C 9095733 LEIRCDZWSHYETM-UHFFFAOYSA-N 423.325 4.528 0 40 HJAB C[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O 9591278 WSIPAONIILVBKI-OAQYLSRUSA-N 420.337 4.503 0 40 HJAB CCOc1cc(NC(=S)Nc2ccc(Cl)cc2)c(OCC)cc1NC(C)=O 13658074 WAQFACWAKXCGNR-UHFFFAOYSA-N 407.923 4.905 0 40 HJAB Cc1cc(I)ccc1NC(=O)[C@H](C)Oc1ccccc1Cl 13709866 UOYINIDIPJTVPX-NSHDSACASA-N 415.658 4.659 0 40 HJAB COc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=S)Nc2ccccc2)cc1 13721569 KQLYZKGYBXRCFB-UHFFFAOYSA-N 415.518 4.940 0 40 HJAB COc1ccc(C(C)=O)cc1CSCC(=O)N[C@H]1CCSc2ccc(F)cc21 14232510 LDRBMEMFTUAFRW-SFHVURJKSA-N 419.543 4.623 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C 14427969 JJNLIVRSLABZSK-GOSISDBHSA-N 414.571 4.681 0 40 HJAB CCCCOc1ccc(Br)cc1C(=O)Nc1cc(OC)ccc1OC 14649263 ZECSPXLTQKIRPI-UHFFFAOYSA-N 408.292 4.898 0 40 HJAB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)N[C@H]1CCc2ccccc21 14683078 DTMSCYHTVNVXPH-CDIAOGBUSA-N 420.516 4.810 0 40 HJAB Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1C 19213489 GVXCQUCJRYYZLB-FCHUYYIVSA-N 415.961 4.649 0 40 HJAB O=C(O)COc1ccccc1CN1CCCCC[C@@H]1c1cc(-c2cccs2)on1 19349123 MLZRDMOWNSNMGG-GOSISDBHSA-N 412.511 4.984 0 40 HJAB COc1ccccc1-c1csc(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)n1 19574535 GFTQRBVCUNOPQR-UHFFFAOYSA-N 418.522 4.933 0 40 HJAB Cc1ccc2oc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCOCC3)c(C)c2c1 19901881 CYEMAOIVPLAFQE-HXUWFJFHSA-N 412.917 4.506 0 40 HJAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccc(Cl)c(Cl)c1 19937625 WHXLJXXRGJJVHR-UHFFFAOYSA-N 408.672 4.578 0 40 HJAB O=C(c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)N1CCCC1 20108222 LQEHLWKCLLCMIF-UHFFFAOYSA-N 422.506 4.516 0 40 HJAB CCc1nnc2sc(-c3cccc(NC(=O)c4cccc(Cl)c4Cl)c3)nn12 20609603 BELLPFHUXJHFGP-UHFFFAOYSA-N 418.309 4.974 0 40 HJAB CC(C)c1ccc(S(=O)(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)cc1 22256854 VLGNEADQXNHWNS-UHFFFAOYSA-N 413.543 4.849 0 40 HJAB Cc1nc(CSc2nc3ccccc3c(=O)n2CCN(C(C)C)C(C)C)cs1 22559363 JZQDDSYNYMGBQB-UHFFFAOYSA-N 416.616 4.573 0 40 HJAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(OCc2cn3ccccc3n2)c1 23387888 UPUCPYPCUGMNMY-SJORKVTESA-N 417.431 4.764 0 40 HJAB CC(=O)c1sc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)nc1-c1ccccc1 28701270 IMUHLGAARNXVGG-IBGZPJMESA-N 422.506 4.823 0 40 HJAB Cc1ccc([C@H](C)NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c(C)c1 30855326 UWUYJWOWHJAXLJ-SFHVURJKSA-N 422.550 4.623 0 40 HJAB COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 32622313 HQVSIJIMKIMUNO-MRXNPFEDSA-N 415.449 4.818 0 40 HJAB CN1CCC(OC(=O)CSc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1 33005408 VEOUYOXLTSERLZ-UHFFFAOYSA-N 417.530 4.781 0 40 HJAB CCc1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)C(O)=NC2=S)cc1 33497545 UIOYSNIYASJURI-LFIBNONCSA-N 415.312 4.683 0 40 HJAB CN(CCCNC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1ccccc1 40104507 UODHDHXELKZWQD-UHFFFAOYSA-N 408.527 4.648 0 40 HJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Br)cc2F)cc1OC 44899968 NTZGBMHGCXFYMJ-SNVBAGLBSA-N 414.296 4.725 0 40 HJAB CC[C@@H]1CCCCN1C(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 67289760 WXHYDNQNVXQKHG-LJQANCHMSA-N 408.571 4.896 0 40 HJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1[nH]nc(C2CC2)c1Br 71844373 GBZNRRJITPGESL-JKSUJKDBSA-N 402.336 4.848 0 40 HJAB Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(Cc4cccnc4)CC3)c12 72336033 XZMVASGSDZFMSH-UHFFFAOYSA-N 405.546 4.602 0 40 HJAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)Cc4c(C)noc4C)C3)c2)c1 72354218 OIEWVLXWBIYCNW-HSZRJFAPSA-N 417.553 4.843 0 40 HJAB Cc1nc2ccc(NC(=O)C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)cc2nc1C 100183987 QGZXENKHPQTHGI-VKFLQFAXSA-N 414.347 4.919 0 40 HJAB CC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1 102532022 SUIVOGSVPYPPIN-FHQLIMNDSA-N 415.489 4.515 0 40 HJAB CCCCCc1c(O)n(-c2ccccc2)c(SCCN(CCC)CCC)nc1=O 102543173 PSYXBELALVRYGM-UHFFFAOYSA-N 417.619 4.885 0 40 HJAB Cc1cccc(CN(C(=O)COc2cc(C)cc(C)c2C)[C@@H](C)C(=O)NC(C)(C)C)c1 222738072 RSLMPASADCWJJN-NRFANRHFSA-N 424.585 4.631 0 40 HJAB O=C(COc1ccc(Cl)cc1Br)NCc1ccc2ccccc2c1 222786528 XRAHZMQANOJMRL-UHFFFAOYSA-N 404.691 4.951 0 40 HJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(OCC)cc1 222888156 OQBMUTVLFZCKAS-FCHUYYIVSA-N 406.555 4.654 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC 223683325 UPDIJOKPSFIWFG-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 223817882 KNPGMEGYKVLTNH-OAQYLSRUSA-N 418.940 4.745 0 40 HJAB Cc1ccccc1[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(C)C 223971092 DZFRXEIRGXXNLY-HSZRJFAPSA-N 422.550 4.923 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 224629544 CWDKWJQRLYXQNJ-QFIPXVFZSA-N 414.977 4.771 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 225131488 CZJWLDLZQVIYSY-MSOLQXFVSA-N 400.950 4.523 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)ccc1O[C@@H](C)CC 225832052 DTGPZUQWSLAFEL-QQMNAOGKSA-N 405.535 4.965 0 40 HJAB O=C(CCc1ccccc1Br)NCc1ccnc(-c2cccs2)c1 245187618 ZRCKIKZSBRNXOX-UHFFFAOYSA-N 401.329 4.822 0 40 HJAB CCC(CC)C(=O)N1CCC(Cc2ccccc2-c2ccccc2)(C(=O)NC)CC1 257339080 ZACWGQIYPASMAP-UHFFFAOYSA-N 406.570 4.687 0 40 HJAB CCCOc1cc2c(cc1[C@@H]1[C@@H](c3ccccn3)N=C3SC[C@H](CC)N31)OCO2 260786495 XPSDZZPDCXJWHL-LVXYXVKQSA-N 411.527 4.579 0 40 HJAB CC(C)c1nc2c(n1CC1CC1)C1(CCN(C(=O)C3CC3)CC1)Oc1ccccc1-2 306136947 QHEDIIJCRGGDHN-UHFFFAOYSA-N 405.542 4.704 0 40 HJAB COc1ccc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1OC 408562974 HEUKQRPCDPHIBW-BMRADRMJSA-N 403.478 4.631 0 40 HJAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 408626710 VZSTVLQUVBSJGO-UHFFFAOYSA-N 414.571 4.547 0 40 HJAB CC(C)(C)c1ccc(OCCCC(=O)Nc2ccn(CCc3ccncc3)n2)cc1 522209430 JNKXNZSEFPZFHB-UHFFFAOYSA-N 406.530 4.616 0 40 HJAB Cc1ccccc1C(=O)N1CCC[C@](O)(COc2cc(C)c(Cl)c(C)c2)CC1 2037912628 RHHHPSWSOILONE-HSZRJFAPSA-N 401.934 4.701 0 40 HJAB COc1ccc2ccccc2c1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccc(C)cc1 727085 ZRVQNFWWXHRHBN-JOCHJYFZSA-N 417.534 4.588 0 40 HJAB Cc1ccc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1C 2371481 GAJUBDWKHWWFAX-UHFFFAOYSA-N 401.514 4.549 0 40 HJAB C[C@@H](OC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)C(=O)NC1CCCC1 2640554 LJUJCTCFOSTOEQ-CQSZACIVSA-N 405.416 4.977 0 40 HJAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(OCCOc2ccccc2F)cc1 2713090 GDLTZENCTFATOY-LTGZKZEYSA-N 403.409 4.628 0 40 HJAB COc1ccccc1C(=O)N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 3014739 GXVHNUFTXVCMDX-OAHLLOKOSA-N 408.112 4.887 0 40 HJAB O=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1ncc(Cl)cc1Cl 3257451 MGRSSHRPLBZMDT-UHFFFAOYSA-N 417.248 4.976 0 40 HJAB COc1ccc2c(c1)-c1nc(NC(=O)c3cccc(Br)c3)sc1CC2 3651744 FCMWAVUFQTUHEB-UHFFFAOYSA-N 415.312 4.932 0 40 HJAB aggregator CCN1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)CC1 4675907 AKDGGFJLIIGXTG-UHFFFAOYSA-N 415.537 4.660 0 40 HJAB CCCCC(C(=O)OCC)(C(=O)OCC)[C@H](C)CC(=O)Nc1ccccc1Cl 5024971 QTUKCULTLKOMAM-OAHLLOKOSA-N 411.926 4.608 0 40 HJAB Cc1cccc(-n2c(C)nnc2SCC(=O)c2ccc(Br)s2)c1 5360334 JVLYXVDYADUTTI-UHFFFAOYSA-N 408.346 4.683 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)c4c(C)nn(C(C)=O)c4C[C@H]32)C1 5361292 LFSRWPRCKLPVBQ-VUDBXFIESA-N 410.558 4.760 0 40 HJAB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2ccccc2)cc1 5559625 DCKIPAMWIAVWOC-QHCPKHFHSA-N 413.477 4.629 0 40 HJAB CSc1ncccc1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 6053855 FEBVMOGDCQQLDV-UHFFFAOYSA-N 408.504 4.790 0 40 HJAB CCN(C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N)c1cccc2ccccc12 6053973 QRSKLBAYMRHZPV-UHFFFAOYSA-N 417.292 4.939 0 40 HJAB CC1CCN(c2ccc(NC(=O)c3cccc(I)c3)cc2)CC1 6348820 BCUAMGVTTQEBCQ-UHFFFAOYSA-N 420.294 4.780 0 40 HJAB COc1ccc2c(CC(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)coc2c1 6786746 SBDDVUIMHQDPIM-UHFFFAOYSA-N 416.481 4.608 0 40 HJAB CCOc1ccc(-c2nc(-c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)cs2)cc1 7274319 KBMKORBTILCOCU-AWEZNQCLSA-N 414.552 4.586 0 40 HJAB COc1cc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1F 7361160 QMNIGRDVOHTLKN-UHFFFAOYSA-N 403.500 4.927 0 40 HJAB CCc1ccc(N2C(=O)C3=C(C2=O)[C@H](c2ccncc2)Nc2ccccc2S3)cc1 7496285 BCRFPDCPAYEYNN-NRFANRHFSA-N 413.502 4.730 0 40 HJAB Cc1nnc(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)n1C1CC1 7533698 IQKVGEWVRMXJDI-UHFFFAOYSA-N 402.539 4.514 0 40 HJAB COc1ccc(Br)c(C(=O)OCc2csc(-c3ccsc3)n2)c1 7734798 JPYNABWJIWBRMH-UHFFFAOYSA-N 410.314 5.000 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)c3ccc4c(c3)OCCCO4)s2)cc1 8162366 QOQXVGJZZRCVGA-UHFFFAOYSA-N 413.524 4.726 0 40 HJAB Cc1nc2cc(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)ccc2o1 8328908 HPRYPVQTGSGVRS-UHFFFAOYSA-N 419.506 4.954 0 40 HJAB COc1ccc(CN[C@@H]2C=C[C@@H](c3c(C)nn(-c4ccc(OC)cc4)c3C)C2)cc1 8624121 UFLAFZKAIRCMJG-NHCUHLMSSA-N 403.526 4.708 0 40 HJAB biogenic,in-vitro CCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1 9226183 RMVBTPDIRYNFMF-UHFFFAOYSA-N 408.885 4.921 0 40 HJAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cccc2cccnc12 9487049 FPFKGSZCCSGQEV-UHFFFAOYSA-N 421.806 4.618 0 40 HJAB CC[C@@H](C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1OC)c1ccccc1 11693437 CXCZFFNOVYYEAB-GOSISDBHSA-N 416.481 4.546 0 40 HJAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)Nc1ccc(OC(F)(F)F)cc1 11865816 YJTPCVIUJVJCJM-MRXNPFEDSA-N 410.417 4.860 0 40 HJAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1C[C@H]2CC[C@](O)(c3ccc(F)cc3)[C@H]2C1 12121064 GVEQYUWBJOKKLY-NKNQFRNOSA-N 409.432 4.595 0 40 HJAB COc1ccc(-c2cs/c(=N\c3cccc(C(F)(F)F)c3)n2CCO)cc1F 12371126 LDZDVCRRDNLJFF-MOHJPFBDSA-N 412.408 4.608 0 40 HJAB O=C(N/N=C(\C=C\c1ccccc1[N+](=O)[O-])c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 12376149 GDFIZMWCVZDSQM-BWTOOWKKSA-N 411.461 4.932 0 40 HJAB COc1cc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc(OC)c1OC 12418765 RLGUCJSJRQNQHA-UHFFFAOYSA-N 416.543 4.856 0 40 HJAB COc1cccc([C@H]2CCCN2C(=O)COc2cccc(Oc3ccccn3)c2)c1 12544962 ZDUXJYBVCRRTMU-JOCHJYFZSA-N 404.466 4.625 0 40 HJAB CC(=O)N1CCc2cc(NC(=O)c3cnn(-c4cccc(Cl)c4)c3C(C)C)ccc21 12551821 JWXVADMSMJOUQO-UHFFFAOYSA-N 422.916 4.810 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3csc(-c4ccco4)n3)n2)c(OC)c1 12870974 LQFGQPBGMWWXEN-UHFFFAOYSA-N 413.480 4.796 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(C)ccc3F)C2)c2ccccc12 12994478 QWQACYSLQNLBKT-KRWDZBQOSA-N 420.484 4.787 0 40 HJAB CC[C@@H](C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1c(Cl)cccc1Cl 13096280 RLRDNWIIOMWTAS-CYBMUJFWSA-N 418.324 4.600 0 40 HJAB CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)c1ccc(Cl)cc1)S2 13137853 MROHHNQPQZDDKZ-WMZOPIPTSA-N 419.337 4.789 0 40 HJAB COc1ccc(NC(=O)c2nnc3c(-c4cccc5ccccc45)c(C)nn3c2C)cc1 13635710 CBPCKGBWPVXXGH-UHFFFAOYSA-N 423.476 4.822 0 40 HJAB COCCCN1COc2ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc3c2C1 13690237 VXPTYYLHOBRUCL-UHFFFAOYSA-N 419.399 4.667 0 40 HJAB biogenic CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc(Cl)c1 14122378 IJHFFPRJUJJMAR-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB COc1ccccc1OCCn1cc(C(=O)COc2ccccc2)c2ccccc21 14135922 KIHBNWRLSRQQNZ-UHFFFAOYSA-N 401.462 4.991 0 40 HJAB Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cc2ccccc2o1 15018970 CFYLAHXNLGDNOR-UHFFFAOYSA-N 416.865 4.752 0 40 HJAB Cc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 16349074 WNASSSXBZVMVLY-UHFFFAOYSA-N 421.913 4.509 0 40 HJAB CCOc1ccc2[nH]c(S[C@@H](C(=O)Nc3cc(C)on3)c3ccccc3)nc2c1 16744704 JWAXJFQGYLNFAV-LJQANCHMSA-N 408.483 4.730 0 40 HJAB CC(C)C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 19085078 VJGWCBOKMFMSGB-UHFFFAOYSA-N 411.571 4.898 0 40 HJAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cccc(Cl)c2)C1 19591711 LNZYDDJYVWVHGE-VWLOTQADSA-N 419.956 4.583 0 40 HJAB Cc1csc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 21482901 SUTAGPVTUCJUEZ-UHFFFAOYSA-N 422.941 4.817 0 40 HJAB O=C(N[C@@H](NCCc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 24302794 TZAWROXJAKCLJW-MRXNPFEDSA-N 406.140 4.598 0 40 HJAB CCOc1ccc(-c2nc(CS[C@@H](C)C(=O)Nc3cc(C)on3)cs2)cc1 31412743 JQSXKUYSVQQHII-ZDUSSCGKSA-N 403.529 4.766 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2C)cc1 33458793 PNWMFOMHEFSMBW-UHFFFAOYSA-N 418.522 4.587 0 40 HJAB O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)NCCc1c[nH]c2ccccc12 35314806 UGZRCOMYYISURD-UHFFFAOYSA-N 422.941 4.729 0 40 HJAB Cc1cccc(NC(=O)C[C@@H]2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)c1 39964024 HIBXGCTUDVNRKZ-HSZRJFAPSA-N 424.504 4.504 0 40 HJAB COc1ccc2nc(OC3CCN(C(=O)c4ccccc4Cl)CC3)sc2c1 49434222 AKSJVZCLQHBDRI-UHFFFAOYSA-N 402.903 4.642 0 40 HJAB Fc1cccc(Nc2nc(N3CCCC3)nc3c2CN(Cc2ccccc2)CC3)c1 57774612 FDXGZUJLAFKEAT-UHFFFAOYSA-N 403.505 4.518 0 40 HJAB COC(=O)c1cc2ccccc2cc1NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C 58381385 DWUWLHHKHHBKCJ-UHFFFAOYSA-N 416.481 4.592 0 40 HJAB COc1cc(OC)cc(-n2c(SCc3ccccc3F)nc3ccccc3c2=O)c1 67258636 NRIXKVMMOJAUBN-UHFFFAOYSA-N 422.481 4.834 0 40 HJAB Nc1ncc(-c2ccccc2F)c([C@H]2CCCCN2C(=O)CCc2ccc(F)cc2)n1 72377262 FGYLYHIHVZHGFC-OAQYLSRUSA-N 422.479 4.690 0 40 HJAB COc1cccc([C@@H]2CC(c3ccsc3)=NN2S(=O)(=O)c2ccc(C)cc2)c1 89638857 AXQWUCXUDVLFLA-NRFANRHFSA-N 412.536 4.605 0 40 HJAB CC(=O)N1N=C(c2cccc(C)c2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 97105699 XJEXGSOYTVUNLK-LJQANCHMSA-N 407.857 4.623 0 40 HJAB O=C(CCCC(=O)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2)N1CCc2ccccc21 100166790 CXLHAUXXBQXRPT-DHIUTWEWSA-N 420.528 4.822 0 40 HJAB COC(=O)/C(=C\N(C)C)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 100923754 QWOIHMYPARVQSB-GDNBJRDFSA-N 423.822 4.773 0 40 HJAB O=C1C[C@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(OC(F)(F)F)cc1 100932742 ATEMKCZJJCPQOL-AWEZNQCLSA-N 401.793 4.663 0 40 HJAB COc1ccc(CN2C(=O)/C(=C\Nc3cccc(C)c3C)c3ccccc3C2=O)cc1 105320983 BLJOUVFCWGHVCR-HAHDFKILSA-N 412.489 4.948 0 40 HJAB CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220716542 PTTLOLRALXTSPF-SFHVURJKSA-N 422.978 4.703 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 222604364 NJTPPISZQYABEX-OAQYLSRUSA-N 400.950 4.523 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)cc1 223070927 ALDCGEHWTRHAQF-MSOLQXFVSA-N 400.950 4.523 0 40 HJAB CC[C@@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223424354 CNHYBWVAAAMTBH-CQSZACIVSA-N 424.950 4.916 0 40 HJAB CC(C)(C)c1ccccc1OCCNC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 223730156 NADNNFLATHLFCN-FQEVSTJZSA-N 412.549 4.530 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)Nc3cc(Cl)ccc3C)o2)c(OC)c1 224867733 DFXPZYIUJCYBMH-UHFFFAOYSA-N 400.862 4.892 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 225129744 GLATZSHITFVKOS-LEWJYISDSA-N 424.585 4.829 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 225156858 BDJUBYDYHVBOPM-RTBURBONSA-N 414.977 4.831 0 40 HJAB Cc1cc(O)c(C2=NN(c3ccccc3)[C@H](c3ccc(OC(F)F)cc3)C2)c(=O)o1 225392105 TZRVLOGCRWLUIL-SFHVURJKSA-N 412.392 4.611 0 40 HJAB CCOC(=O)c1cc(NC(=S)NCCCSCc2ccco2)ccc1Cl 225594711 RIAFUEYYWJQRKI-UHFFFAOYSA-N 412.964 4.720 0 40 HJAB C[C@H](NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(F)cc1 225806167 KNISVFMPTIUNCV-LBPRGKRZSA-N 407.367 4.705 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)Cc3ccc(F)cc3)CC2)on1 257236439 HCEVRNOBWMNEMT-WGSAOQKQSA-N 422.504 4.520 0 40 HJAB CCc1ccc(CN(Cc2ccccc2)C(=O)COc2c(F)cccc2C(=O)O)cc1 257327042 WZQPICRFPOUJPS-UHFFFAOYSA-N 421.468 4.694 0 40 HJAB CC(C)c1ccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 408573461 BLDRLLXXXBBMNL-UHFFFAOYSA-N 415.342 4.522 0 40 HJAB Fc1cccc(Cl)c1COc1ccc(Cl)cc1C(=S)N1CCOCC1 408573715 KCDZHGAEHXYKBX-UHFFFAOYSA-N 400.302 4.719 0 40 HJAB Cc1cc(C)c(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c(C)c1 408702800 CXYUTKIVXBBOLV-UHFFFAOYSA-N 408.523 4.693 0 40 HJAB CCCCOC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 409212351 PERLNXFVCPPFPO-XMHGGMMESA-N 411.479 4.859 0 40 HJAB Cc1ccc2cc(C)c3nnc(SCC(=O)N4c5ccccc5C[C@@H]4C)n3c2c1 903093 DBLCTEPXZSYPCE-INIZCTEOSA-N 402.523 4.569 0 40 HJAB COc1ccc([C@@H]2C(=O)c3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1OC 980135 XRISBRYUSHBIJR-ZEQRLZLVSA-N 404.462 4.833 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)sc(C(C)=O)c1C 1067929 XEWAHHSBYZXNNM-CYBMUJFWSA-N 423.918 4.804 0 40 HJAB Cc1ccc(NC(=S)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@@H]2CCCO2)cc1 1224206 MGNIFBFOHQXRFS-NRFANRHFSA-N 421.566 4.523 0 40 HJAB COc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3)C3CCCCC3)cc2c1 1327298 CWGYDNOMQVKUEW-UHFFFAOYSA-N 405.498 4.904 0 40 HJAB CCOc1ccc(-c2csc(N[C@H]3OC(=O)c4c3ccc(OC)c4OC)n2)cc1 2200081 BVEDBYPBRAHYBX-IBGZPJMESA-N 412.467 4.507 0 40 HJAB CSc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2441624 FCVXSZSWVZBBFO-KKSFZXQISA-N 421.518 4.548 0 40 HJAB O=C(COC(=O)c1cc2ccccc2cc1O)Nc1ccc(SC(F)F)cc1 3275312 DSRDWXYBFUQPEM-UHFFFAOYSA-N 403.406 4.656 0 40 HJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1 3548360 USHOLHLBBPHZOK-UHFFFAOYSA-N 414.914 4.808 0 40 HJAB CCOc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccccc2)cc1 4315087 SURBEOBKWUGSTN-UHFFFAOYSA-N 417.486 4.697 0 40 HJAB CN(C)CCN(C(=O)c1ccc(Cl)s1)c1nc2ccc(Cl)cc2s1 4359187 ZKCOYCSKZWMGSP-UHFFFAOYSA-N 400.356 4.873 0 40 HJAB Cc1ccc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)c1 4555060 DXZHQHXKIHWIOC-VWLOTQADSA-N 419.908 4.964 0 40 HJAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(F)cc3)n3ccccc23)c(C)c1 4585221 CASURTSXXCGUEI-UHFFFAOYSA-N 401.441 4.761 0 40 HJAB CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)cc1 4614836 UBTZHIFGUXIJAN-UHFFFAOYSA-N 405.502 4.642 0 40 HJAB COc1ccc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)c(OC)c1 4909611 KQHAFYSFPCSVRW-UHFFFAOYSA-N 415.921 4.583 0 40 HJAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)c1csnn1)c1ccccc1C 4964622 JXZAFRQUUXGQSH-HXUWFJFHSA-N 422.554 4.539 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)c2ccccc2F)c1 5259022 PXJDCJSHPHKADN-UHFFFAOYSA-N 407.832 4.739 0 40 HJAB CCC(CC)C(=O)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCS(=O)(=O)C1 5488446 GJEAEXMLTWQNLX-GOSISDBHSA-N 423.962 4.552 0 40 HJAB CC[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1-c1ccc(OC)cc1 6187344 CNKUYBKBHQTUKS-QGZVFWFLSA-N 409.555 4.917 0 40 HJAB CCn1c(SCCOc2ccccc2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 6226101 ZWGNFYCJQPBWEO-HXUWFJFHSA-N 424.570 4.596 0 40 HJAB CC(C)Nc1nnc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)s1 6602212 BIWMAQNZXWOUFV-UHFFFAOYSA-N 412.584 4.680 0 40 HJAB CCc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(OC)c3)c3ccccn23)cc1 6809628 CUQNOACTYROQQL-UHFFFAOYSA-N 413.477 4.576 0 40 HJAB CCc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCC3)c3ccccc23)cc1 6867171 RXRYRMFAERLLOZ-UHFFFAOYSA-N 421.566 4.557 0 40 HJAB COc1ccc(CCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 7688580 DKVAOIMZIYDGAH-UHFFFAOYSA-N 404.438 4.677 0 40 HJAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)c1 7882590 FXDVRJXKQXCEEH-INIZCTEOSA-N 415.331 4.674 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1Br 8560864 KCQJSMXEIAIKMJ-UHFFFAOYSA-N 406.276 4.665 0 40 HJAB Cc1noc(C)c1CSc1ccccc1C(=O)O[C@@H](C)C(=O)NC1CCCCC1 8712870 SAMANGYVZWOPFR-INIZCTEOSA-N 416.543 4.578 0 40 HJAB CC[C@H](C)Sc1nnc(CNC(=O)c2ccc(OC)cc2)n1C1CCCCC1 9390796 XLTODPMILRMHDF-HNNXBMFYSA-N 402.564 4.613 0 40 HJAB Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1C 9514722 OCVGTPAXFSCZGU-OAQYLSRUSA-N 407.510 4.791 0 40 HJAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O 9884991 LKOIYVXOHQFOSE-SANMLTNESA-N 424.456 4.750 0 40 HJAB Cc1ccc2c(C)nc(Nc3ncc4c(n3)C[C@@H](c3cccs3)CC4=O)nc2c1 10157484 QSVKRWOUPVPFBY-CQSZACIVSA-N 401.495 4.754 0 40 HJAB Cc1ccc(-c2nnc(SCCOc3ccc(Br)cc3)n2C)cc1 10263968 CNLOAZMTCQWUMW-UHFFFAOYSA-N 404.333 4.724 0 40 HJAB CN(Cc1nc2ccccc2s1)C(=O)CSc1ncc(-c2ccc(F)cc2)o1 10845257 VFKKPEDNCNZVMK-UHFFFAOYSA-N 413.499 4.841 0 40 HJAB CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(N)cc2OC)cc1 11458258 WOAPZPMRQAXNGW-CHWSQXEVSA-N 404.894 4.628 0 40 HJAB O=C(Cn1c(SCCOc2ccccc2)nc2ccccc21)Nc1ccccc1 12062260 OXLAOANXBPEDDC-UHFFFAOYSA-N 403.507 4.846 0 40 HJAB COc1ccccc1NC(=O)Nc1ccc(Nc2cc(OC(C)C)nc(C)n2)cc1 12226070 HNMKENNIPZTEBX-UHFFFAOYSA-N 407.474 4.968 0 40 HJAB CCn1c(=O)c(NC(=O)c2ccccc2)c(C(=O)Nc2ccccc2)c2ccccc21 12413765 FSYBTZUSYJTTCZ-UHFFFAOYSA-N 411.461 4.526 0 40 HJAB biogenic,in-vitro Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccccc2)cc1 12507945 PNKXSFSYPNUWHM-SFHVURJKSA-N 408.523 4.629 0 40 HJAB COc1ccc(Br)cc1CNCc1c(C)nn(Cc2ccccc2)c1C 12861688 JVXWJHMIFFLNJM-UHFFFAOYSA-N 414.347 4.609 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 13579497 UMZJRZSKYFGALV-WSLHGYQHSA-N 421.500 4.917 0 40 HJAB Cc1cccc(C(=O)Oc2ccc(/C=C3\N=C(c4cccc(F)c4)OC3=O)cc2)c1 13926360 RQOGRZPJMYGVFJ-BKUYFWCQSA-N 401.393 4.698 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc(Cl)cc2)c(OC)c1 15829362 RFKXPUQKFLGWIO-IBGZPJMESA-N 401.890 4.684 0 40 HJAB CCOc1ccccc1NC(=O)Cn1c(-c2nnc(C(C)C)o2)cc2ccccc21 15881505 SOGKPWJRAOOAAV-UHFFFAOYSA-N 404.470 4.852 0 40 HJAB CC(C)C(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 16574951 UYUHOQMBNQQWTH-UHFFFAOYSA-N 410.326 4.715 0 40 HJAB CC(C)COC(=O)Nc1nnc(Sc2ncc(C(F)(F)F)cc2Cl)s1 17117888 JAGLTWFRNXPOBF-UHFFFAOYSA-N 412.846 4.961 0 40 HJAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 17167167 UTRYIIFWLLCCNW-JPVKTXQWSA-N 410.495 4.539 0 40 HJAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(F)cc2)CC1 19400829 PSNMRRXQZKEDJM-RUZDIDTESA-N 409.549 4.871 0 40 HJAB CCc1nnsc1C(=O)N1CCC[C@@H]1c1cc(Cc2cccc(C)c2)cc(C)n1 19692050 XJFNTVNIMSSQTO-OAQYLSRUSA-N 406.555 4.680 0 40 HJAB COC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)Nc3ccc(Cl)cc3)c12 19957449 MYEJEJRWJLJARN-UHFFFAOYSA-N 401.850 4.579 0 40 HJAB COc1cc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)ccc1-c1ccc(CO)o1 20151652 YLHRUSJIFOKFFQ-UHFFFAOYSA-N 424.522 4.698 0 40 HJAB CCc1nc2sc([C@H](c3ccc(C(F)(F)F)cc3)N3CCC(C)CC3)c(O)n2n1 22853343 CPRUHYJUCXVLLU-INIZCTEOSA-N 424.492 4.899 0 40 HJAB Cn1c(SCc2csc(-c3ccco3)n2)nc2sc3c(c2c1=O)CCCC3 24777993 TVJDZMRCLNBFJC-UHFFFAOYSA-N 415.565 4.883 0 40 HJAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2ccccc2C(F)(F)F)CC1 24830541 YVKYFONEYGJOLX-UHFFFAOYSA-N 405.416 4.572 0 40 HJAB Cc1noc(CSc2ccccc2C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)n1 25605723 CAAWCYLUGZVTLU-UHFFFAOYSA-N 421.444 4.961 0 40 HJAB Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(SC3CCCC3)cc2)no1 32809469 TXZKSBDAPRUTGO-AWEZNQCLSA-N 419.572 4.717 0 40 HJAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)CC1 32817891 KDRQXVXBVLCOMG-UHFFFAOYSA-N 415.537 4.928 0 40 HJAB CSc1ccc(-c2csc(NC(=O)C3CCN(CC(F)(F)F)CC3)n2)cc1 32933187 CAXVNGVIPSZTQU-UHFFFAOYSA-N 415.506 4.745 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSCc1cc(=O)c2c(C)ccc(C)c2[nH]1 33064137 NOQGGQMKUHPYNE-UHFFFAOYSA-N 400.931 4.979 0 40 HJAB O=S(=O)(Cc1ccc(Cl)cc1)c1nc2ccccc2nc1N1CCCCCC1 33114429 KAIMDMKQFUVWNF-UHFFFAOYSA-N 415.946 4.638 0 40 HJAB COc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccccc2C)n1 33325072 QEZWSBAWDLGVDJ-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3nc4ccccc4n3Cc3ccccc3)C2)cc1 33327224 PTZNQQFYJDPLKV-RUZDIDTESA-N 424.504 4.791 0 40 HJAB COc1cc(OC)c([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)cc1OC 36360124 ADIWBQIFZATGMN-CYBMUJFWSA-N 413.861 4.675 0 40 HJAB CCc1cc(C(=O)NCCc2ccccc2)c2c(C3CC3)nn(-c3ccccc3)c2n1 36621605 WLUCZCMKHKIGHF-UHFFFAOYSA-N 410.521 4.833 0 40 HJAB CN(Cc1ccc(OC(F)(F)F)cc1)Cc1nc(O)c2oc3ccccc3c2n1 40063143 AELYAHCBUYGAPX-UHFFFAOYSA-N 403.360 4.612 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 40132488 HEQTXGJLISICFG-CQSZACIVSA-N 401.432 4.669 0 40 HJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cccc(N2CCNC2=O)c1 47041282 MNSWUAMWRPNAEU-UHFFFAOYSA-N 412.902 4.554 0 40 HJAB CCCc1nc(C(C)(C)NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)no1 65434543 NBXLWDDEIPPOOH-UHFFFAOYSA-N 410.952 4.834 0 40 HJAB COc1ccccc1Cc1cccc([C@H]2CCCN2Cc2ccc(NC(C)=O)cc2)n1 72358114 IKENOUOBJCEGSY-RUZDIDTESA-N 415.537 4.977 0 40 HJAB CN(C)c1ccc(C(=O)N2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)cc1 72361048 FWFZRGMOYLMJQE-HXUWFJFHSA-N 403.501 4.974 0 40 HJAB COCCn1cc(CCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c2ccccc21 96231093 AUSNIKSVBWWNLN-DEOSSOPVSA-N 418.541 4.610 0 40 HJAB 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]3CC[C@@]21C 118913699 GRQROVWZGGDYSW-BPLGZFCVSA-N 406.607 4.566 0 40 HJAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)cc1 223793249 ZQEMNSRKPABHNS-VXKWHMMOSA-N 406.555 4.613 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3CCCc4ccccc43)c2)c1 223949698 QSLBYXPXIBRDSQ-QHCPKHFHSA-N 420.534 4.603 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccc(C)cc1 224124664 WVGHEGQSXMGQKR-UHFFFAOYSA-N 405.450 4.606 0 40 HJAB COc1cccc(OCc2cc(C(=O)Nc3ccc(OC)cc3OC)ccc2OC)c1 224255135 IKUPPDIZTIUPQD-UHFFFAOYSA-N 423.465 4.552 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C 224265710 QLASCAIJUAQVKB-JOCHJYFZSA-N 424.585 4.615 0 40 HJAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 224562544 AAFQHEKDFRHVTK-NHCUHLMSSA-N 406.555 4.824 0 40 HJAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1C 224665461 GCIYFFXFIKEBGR-OAQYLSRUSA-N 422.569 4.548 0 40 HJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(CN2CCCCC2)c1 224676722 MOGXMSQAPDTVBJ-FQEVSTJZSA-N 402.538 4.909 0 40 HJAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2sccc2C)c1 224827341 GTSQGJGTFNGQCA-OALUTQOASA-N 411.552 4.646 0 40 HJAB CCN(c1ccccc1Br)S(=O)(=O)c1cc(Cl)ccc1Cl 224932040 HAVUCURGYATVBG-UHFFFAOYSA-N 409.132 4.971 0 40 HJAB COC(=O)c1cccc(NC(=S)NCCSCc2ccccc2Cl)c1C 225296458 OPAIBLJJKPBOBM-UHFFFAOYSA-N 408.976 4.655 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCSCc2ccccc2Cl)c1 225296840 SDSJEHJEMGIYML-UHFFFAOYSA-N 408.976 4.737 0 40 HJAB Cc1cccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC(C)C)c1 225509844 AKAFAWIQXXWFOZ-HXUWFJFHSA-N 424.585 4.613 0 40 HJAB CCc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 225853648 RASZONQIHFOWMT-GOSISDBHSA-N 422.550 4.565 0 40 HJAB COc1cccc(OC)c1C(=O)NCCSCc1ccc(Cl)c(Cl)c1 408562583 CFAUJSGODBNJNN-UHFFFAOYSA-N 400.327 4.674 0 40 HJAB COc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c(OC)c1 408619061 FUFSDYWENDALRU-UHFFFAOYSA-N 400.887 4.637 0 40 HJAB CCOC(=O)Cn1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c2ccccc21 408635175 XORSLJZBOZVQIM-ODLFYWEKSA-N 422.462 4.563 0 40 HJAB Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)c1 408701156 SITZQBPQDZHJPB-UHFFFAOYSA-N 420.962 4.630 0 40 HJAB CCOC(=O)CN1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 585263144 OOYCXAVKVGLNDY-UHFFFAOYSA-N 422.554 4.691 0 40 HJAB Cc1ccccc1C(=O)N1CCC[C@@]2(CCCCCOc3ccccc3C(=O)NC2)C1 643559622 UBJPYEZAEUNEJW-AREMUKBSSA-N 420.553 4.600 0 40 HJAB CCC(CC)C(=O)N1CCC(COc2ccccc2)(CC(=O)N2CCCCC2)CC1 2037905509 SYSRYXYGUKSEEN-UHFFFAOYSA-N 414.590 4.513 0 40 HJAB COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)Nc1ccccc1Cl 1324418 KDGOYGPVAPAHGE-UHFFFAOYSA-N 415.833 4.847 0 40 HJAB O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)C(F)(F)F)c1ccc(F)cc1 1367031 CYNXBAHKKJCLTM-LJQANCHMSA-N 422.422 4.911 0 40 HJAB CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 2422961 RIEYLSAUGWZTMG-NRFANRHFSA-N 424.928 4.724 0 40 HJAB O=C(NCc1nnc2c3ccccc3c(-c3ccccc3)nn12)c1ccccc1Cl 2431512 IXOLVPLZRGUOQT-UHFFFAOYSA-N 413.868 4.528 0 40 HJAB COc1ccc2nc(NC(=O)CSc3nc4cc(Cl)ccc4o3)sc2c1 3285113 AKWPKIHHRKSPJK-UHFFFAOYSA-N 405.888 4.830 0 40 HJAB CCCOc1ccc([C@H](CC(=O)O)NC(=O)C(c2ccccc2)c2ccccc2)cc1 3624342 WQBRCBDDAXIWCS-QHCPKHFHSA-N 417.505 4.940 0 40 HJAB Cn1c(SCc2ccccc2)nnc1-c1cnn(-c2ccccc2)c1-n1cccc1 4050346 CHWMXFRXWNJBGX-UHFFFAOYSA-N 412.522 4.751 0 40 HJAB CCN(CC)CCCN(C(=O)COc1ccccc1)c1nc(-c2ccccc2)cs1 4188890 CCLTVOAAGZNYHL-UHFFFAOYSA-N 423.582 4.954 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(OC)cc2)cc1 4715971 LKCCESQZLITANT-UKILVPOCSA-N 416.477 4.955 0 40 HJAB COc1ccccc1-n1cnnc1S[C@H](C(=O)c1ccccc1)c1ccccc1 4894831 KSWHQDGEHVEZDF-QFIPXVFZSA-N 401.491 4.992 0 40 HJAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 5136151 ZORVPNDWZDJRPI-UHFFFAOYSA-N 410.857 4.544 0 40 HJAB Cc1c(CCC(=O)NC2CC2)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 5346235 CRWYSFHKTQQEFX-UHFFFAOYSA-N 405.425 4.865 0 40 HJAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCc1ccc(Cl)cc1 6356675 MMDHQGDRIRXHMX-UHFFFAOYSA-N 400.935 4.733 0 40 HJAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(C)cc2)s1 7979352 BBFLONCBXWOBDD-UHFFFAOYSA-N 400.529 4.720 0 40 HJAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc4c(c3)CCC4)o2)c(OC)c1 8128429 CPVCFEZSJZTJMS-ZDUSSCGKSA-N 410.495 4.606 0 40 HJAB O=C(N[C@@H]1CCOc2ccccc21)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 8390870 GWHMQVHJSMYGGN-JOCHJYFZSA-N 413.452 4.932 0 40 HJAB Cc1nc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)[nH]2)sc1C 9328758 DHYMJZPBKLLMDN-UHFFFAOYSA-N 414.343 4.583 0 40 HJAB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)o1 9722955 VFTMLWNADYIIER-GWCFXTLKSA-N 407.841 4.896 0 40 HJAB Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccc(F)cc2)Cc2ccc(C)c(C)c2)on1 12366513 KEPOJJLSXZCBEK-RCZVLFRGSA-N 408.517 4.999 0 40 HJAB CCCOc1ccc(OCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 12913171 LLKNIADVYXEBEM-KRWDZBQOSA-N 410.539 4.870 0 40 HJAB COc1cc2c(cc1NC(=O)c1cccc(CN3CCCC3=O)c1)oc1ccccc12 13019773 QLHMCSQDGIYFST-UHFFFAOYSA-N 414.461 4.969 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(F)cc2)N1c1ccccn1 13228279 BSGSLIOIYUMAHO-LJQANCHMSA-N 406.800 4.730 0 40 HJAB CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1C[C@@H](C)C[C@@H](C)C1 13562676 HPABXDXENIHBIZ-IYBDPMFKSA-N 408.546 4.767 0 40 HJAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631124 ZKBKLUGYAYOBMV-GOSISDBHSA-N 418.493 4.673 0 40 HJAB CC(C)c1ccc(NC(=S)N(C)Cc2cc3cccc4c3n(c2=O)CCC4)cc1 13730743 VFPKRBVBLSAGNS-UHFFFAOYSA-N 405.567 4.900 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2sccc2C)NC(=S)N1 13879042 ITKQMDBARQDCEF-CQSZACIVSA-N 411.474 4.507 0 40 HJAB Cc1nc(CN2CCN(C(=O)c3oc4c(ccc5ccccc54)c3C)CC2)cs1 14380686 MWURNUKEUXHFNT-UHFFFAOYSA-N 405.523 4.617 0 40 HJAB COc1ccc(N2C(=O)/C(=C\Nc3ccc(C)cc3)c3ccc(OC)cc3C2=O)cc1 18098863 FSLJOXHARKKSJC-HAHDFKILSA-N 414.461 4.652 0 40 HJAB Cc1ccccc1CN1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)c1ccncc1 19237258 PYRJSHIZWRBHBB-HJOGWXRNSA-N 417.578 4.582 0 40 HJAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)CCCc3ccncc3)cc2)n1 19287073 HAEXPVCNUWQGIU-UHFFFAOYSA-N 423.520 4.548 0 40 HJAB CC(C)n1cc(C(=O)N2C[C@H](c3ccc(CN4CCCC4)cc3)[C@H]3CCCC[C@H]32)cn1 19454940 IZCVJBOCHMDJAI-UBFVSLLYSA-N 420.601 4.858 0 40 HJAB CCOc1ccc(CCC(=O)N2CCC[C@H]2c2nc(C)ncc2-c2ccncc2)cc1 19533124 SZIJRNSQYQEFCU-QHCPKHFHSA-N 416.525 4.542 0 40 HJAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)c1ccc([C@@H]2CC2(Cl)Cl)cc1 19822840 MYOFGYCHCLJEHS-HNNXBMFYSA-N 403.714 4.658 0 40 HJAB COc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4ccc(F)cc4)nc3C2)c(OC)c1 20101967 CWEQFIHRZZNPBM-CQSZACIVSA-N 407.445 4.598 0 40 HJAB C[C@@H]1C[C@@H](C)CN([C@@H](c2ccccc2)c2sc3nc(-c4ccco4)nn3c2O)C1 22851770 UXNTVZZJUCUIIL-RKVPGOIHSA-N 408.527 4.824 0 40 HJAB Cc1cccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CC[C@@H](C)C4)c1 23955539 VWZPITAPYITBHW-MRXNPFEDSA-N 409.555 4.749 0 40 HJAB O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1cc(C2CC2)nc2ccccc12 24195434 ISGSFJJSYSQYND-UHFFFAOYSA-N 400.478 4.705 0 40 HJAB Cn1c(=O)n(C)c2cc(Sc3ccccc3)c(NC(=O)c3cccc(Cl)c3)cc21 28049119 WNZXAEOGUXHORL-UHFFFAOYSA-N 423.925 4.934 0 40 HJAB Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccccc3Cl)cs2)cc1 28288816 XKBCPHGOHTYQIQ-HNNXBMFYSA-N 400.931 4.898 0 40 HJAB O=C(Nc1nc2cc3c(cc2s1)OCCCO3)c1cc(Br)ccc1F 32719666 IOPFBVYGMFKAKI-UHFFFAOYSA-N 423.263 4.612 0 40 HJAB CCCOc1c(Cl)cc(C(=O)NC[C@H]2COc3ccccc3C2)cc1OCC 32744640 ALGQNPCFFZMFPB-HNNXBMFYSA-N 403.906 4.509 0 40 HJAB CCn1nc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3CC)cc1C 36613267 MOOMLNNXEJYTKG-UHFFFAOYSA-N 402.502 4.512 0 40 HJAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(Br)cc3F)CC2)cc1 39753663 CHSXRVRMOKOAFG-UHFFFAOYSA-N 405.311 4.747 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)Nc2ccc(Oc3cnccn3)cc2)no1 40112553 FTDOLRACWHEHIP-UHFFFAOYSA-N 419.466 4.505 0 40 HJAB CCCCc1ccc2nc(NC(=O)Cc3csc(NC(=O)C(C)C)n3)sc2c1 40140404 NMPIFTHYVOHJAG-UHFFFAOYSA-N 416.572 4.871 0 40 HJAB O=C(Nc1c(F)cccc1F)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078992 VUPHCGFTSATXOC-UHFFFAOYSA-N 410.395 4.949 0 40 HJAB Cc1ccc(-c2noc(C3CCN(CC(=O)Nc4ccc(C)cc4Cl)CC3)n2)cc1 49403310 KOTLKXWNNZCAOM-UHFFFAOYSA-N 424.932 4.825 0 40 HJAB Cn1c2c(sc1=O)[C@@H](c1ccc(Cl)cc1Cl)CC(=O)N2c1ccccc1 49548966 ZGDDGVWQBKHHCX-CQSZACIVSA-N 405.306 4.954 0 40 HJAB NC(=O)c1cc(NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)ccc1F 53464859 REXPIHFYPKFHCW-UHFFFAOYSA-N 403.388 4.531 0 40 HJAB Cc1c(NCc2cc(=O)n3cc(Cl)ccc3n2)cccc1NC(=O)c1ccccc1 55884241 QSXBJMNVZDZOMK-UHFFFAOYSA-N 418.884 4.521 0 40 HJAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc(OC(F)(F)F)cc1 58819815 SMXPHWMRCPONCD-UHFFFAOYSA-N 406.335 4.842 0 40 HJAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)cc1Cl 67299330 RKZLXSLNMUPNKP-LVWGJNHUSA-N 408.841 4.856 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2cc(CCC)on2)n1 72390683 WTXNCYNKDFPOFE-OAQYLSRUSA-N 419.529 4.799 0 40 HJAB COc1ccc(C2(CNC(=O)c3cn(C(C)C)c4ccccc34)CCOCC2)cc1 85878152 NVKVFXRYQMZZQC-UHFFFAOYSA-N 406.526 4.709 0 40 HJAB biogenic CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(O)c(Cl)c2)S1 96117975 HUNUMULTIMQUBO-WBMJQRKESA-N 407.923 4.552 0 40 HJAB COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)Nc5ccnc(C)c5)n4)n3c2)c1 96155461 AYGVJMZFALVZNX-UHFFFAOYSA-N 423.476 4.756 0 40 HJAB COc1ccc([C@@H]2C=C(c3ccccc3)Nc3nc(NC(=O)c4ccccc4)nn32)cc1 101023555 BSLHCQSXMDJENY-QFIPXVFZSA-N 423.476 4.595 0 40 HJAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1cccc(C)c1 101147859 IDAYKZGFQVOWGI-BEFAXECRSA-N 403.276 4.536 0 40 HJAB CC[C@@H](NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1nnc(C)n1)(C3)C2)c1ccc(C(C)C)cc1 102527877 DFGQYBMSUFJTEQ-VHFMFOAHSA-N 421.589 4.668 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)cc1 136694164 WDLOJUGAKCVEFD-HVETUWLQSA-N 418.537 4.989 0 40 HJAB CCOc1ccc(CCCNC(=O)COc2ccc(CC)cc2Br)cc1 218866528 SNWDESBDCBEZBP-UHFFFAOYSA-N 420.347 4.538 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc4ccccc34)n2)c1 219049922 WISBHGWPYDKGEQ-KRWDZBQOSA-N 401.466 4.624 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 222399943 FNKGXTYOJVHBMT-HSZRJFAPSA-N 424.585 4.631 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C 222483918 NCBLSPUJSRCADX-HYBUGGRVSA-N 424.585 4.577 0 40 HJAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 222834783 NNZRGRPMWLSSLM-HNNXBMFYSA-N 407.341 4.683 0 40 HJAB CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 222932906 YBJUBXSALIQBKW-GOTSBHOMSA-N 420.582 4.900 0 40 HJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C 224067256 XSVNWXJCBSWSQZ-DEOSSOPVSA-N 408.586 4.612 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 224275529 YHCISQVAOCXXNN-XMMPIXPASA-N 406.570 4.712 0 40 HJAB COc1ccc([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 224843189 SJFOQZHNBHSASE-JVDNRXPZSA-N 420.534 4.713 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccnc1 225008962 IFGXHMVZGYXUNT-PKTZIBPZSA-N 417.582 4.799 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 225054213 OXTCFVBGKNULCH-VQTJNVASSA-N 412.599 4.728 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 225213409 ZYKWTAUAQFIFTF-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB COc1ccc(Cn2c(SC(C)C)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 225544901 XOOHIJGZXRUGKQ-UHFFFAOYSA-N 405.523 4.949 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 225586850 ROUKFTCIVAPMNV-LAUBAEHRSA-N 400.950 4.605 0 40 HJAB CN(C(=O)c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12)c1ccccc1 306126835 FGOFYSTZTFYBAT-JOCHJYFZSA-N 424.504 4.588 0 40 HJAB CCCCc1nnc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1CC 408560506 JGZBZAHYBPXQTQ-UHFFFAOYSA-N 408.571 4.639 0 40 HJAB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 408637350 IWARGBFLLBKQPW-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1NC(=O)CC 408698446 PJITTWGTOONGOW-UHFFFAOYSA-N 417.314 4.541 0 40 HJAB Cn1cc([C@H]2CN(C(=O)Nc3ccccc3C(F)(F)F)Cc3ccccc32)cn1 575621129 YBAJQNDKXRZQNV-QGZVFWFLSA-N 400.404 4.619 0 40 HJAB Cc1cc(Br)cc(C)c1NC(=O)[C@H]1CCCN1C(=O)Oc1ccccc1 852735 BIJKUFXBXYHFCU-QGZVFWFLSA-N 417.303 4.668 0 40 HJAB Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3)nnc2-c2cccnc2)cc1 874199 VMVAUSKIUCIMRD-KRWDZBQOSA-N 415.522 4.757 0 40 HJAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccc(F)cc3)cc2c1 1353247 NFVAPALNIDDWEN-UHFFFAOYSA-N 416.456 4.605 0 40 HJAB CCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OC 2130307 CEHLFDNBLPBLRP-WUZNFDRSSA-N 420.553 4.820 0 40 HJAB biogenic Cc1cccc(CN2CCc3c(OCC(=O)Nc4cccc(C)c4)cccc3C2=O)c1 2716543 ZJTXDEGDCMJMOA-UHFFFAOYSA-N 414.505 4.519 0 40 HJAB COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CSC3)cc1OC 3008345 HCWXZTWIFQZXNL-UHFFFAOYSA-N 409.511 4.505 0 40 HJAB Cc1ccc(-n2c(S[C@H]3CCOC3=O)nnc2-c2ccc(Cl)cc2)cc1Cl 3329226 CFTPBGGANMEFGL-INIZCTEOSA-N 420.321 4.957 0 40 HJAB CCOC(=O)c1cc(NC(=O)Nc2ccc(Br)c(C)c2)c(C)nc1C 3354235 GNBSLTWCLNMIGH-UHFFFAOYSA-N 406.280 4.590 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2c(F)cccc2F)nnc1-c1ccccc1F 3433444 XHUHWURPQPGEKD-UHFFFAOYSA-N 420.460 4.749 0 40 HJAB CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3ccc(Cl)cc3)N2C1=O 3636736 TVNNFVWEXUFPDQ-NVXWUHKLSA-N 406.935 4.578 0 40 HJAB Cc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cc4cc(C)ccc4nc3Cl)C2)cc1 4426778 RTSFIIDWWNOMAE-FQEVSTJZSA-N 413.930 4.616 0 40 HJAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2CC[C@H]1C2=C(C)C 4651467 KMGHPDNJIREZLH-GGNLRSJOSA-N 419.543 4.680 0 40 HJAB CCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 4731417 DPKNQAXWLMHCQO-AREMUKBSSA-N 423.516 4.906 0 40 HJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(C)c(C)c1 4973338 NQOBGLUUGCTINI-UHFFFAOYSA-N 403.438 4.533 0 40 HJAB COc1cc2nc(SCc3ccc(Cl)cc3)n3nc(C)nc3c2cc1OC 5005745 NWVBEIJZRJMXFX-UHFFFAOYSA-N 400.891 4.549 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1 5136305 GOLCJKHKJFVEII-UHFFFAOYSA-N 406.507 4.667 0 40 HJAB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1F 6962538 WLEKFCDAWVKJAV-XDHOZWIPSA-N 409.848 4.984 0 40 HJAB Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 7508620 TWSJYMBJZZYKCD-UHFFFAOYSA-N 412.493 4.639 0 40 HJAB O=C(c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1)N1CCCCCC1 7754284 GGJMOBJEAGCGMO-UHFFFAOYSA-N 411.509 4.558 0 40 HJAB Cc1ccc([C@@H]2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2CCCOC(C)C)cc1 8022895 SXILWZFTVZFWNX-AIIPKAINSA-N 419.521 4.788 0 40 HJAB Cc1ccc(-c2cc(NC(=O)CSc3nnc(C)n3-c3ccc(C)cc3)on2)cc1 8457812 AUDHURDAVDNTCO-UHFFFAOYSA-N 419.510 4.578 0 40 HJAB O=C(Cn1cnc2ccccc2c1=O)c1ccc(-c2ccc(Br)cc2)cc1 8709000 JZHVJIABMLLGLQ-UHFFFAOYSA-N 419.278 4.709 0 40 HJAB CC(=O)Nc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)cc1 9404033 ZZLBMXBNKAWERW-UHFFFAOYSA-N 418.931 4.548 0 40 HJAB CCn1c(CSc2nccc(C)n2)nc2cc(NC(=O)c3ccccc3)ccc21 9421385 DEUMLTSMKGBLML-UHFFFAOYSA-N 403.511 4.699 0 40 HJAB COc1ccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c(OC)c1 9766339 YOPUIJMFGUTFDK-UHFFFAOYSA-N 421.280 4.885 0 40 HJAB COc1cc(CCC2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc(OC)c1 10407291 RKRZBLQGVUIPLC-UHFFFAOYSA-N 404.457 4.859 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(N3CCCC3)cc2C)c1 11573364 OWQISIKGQLQFKZ-UHFFFAOYSA-N 421.570 4.854 0 40 HJAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC[C@H](c2nnc3ccccn23)C1 12323082 RTSMUUHXXIXUPS-IBGZPJMESA-N 423.476 4.557 0 40 HJAB COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 13228278 MNZUZRCRFJAJKS-QFIPXVFZSA-N 412.445 4.563 0 40 HJAB O=C(Cc1cccc(F)c1)N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 15778718 XOGFYSXBWZKBMH-NRFANRHFSA-N 421.859 4.977 0 40 HJAB CCOc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 17316046 SSQGJAGUSUMLKT-UHFFFAOYSA-N 415.902 4.629 0 40 HJAB COc1ccc2cc([C@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2c1 17362984 ZBTXKEWHUFXBGJ-IBGZPJMESA-N 402.538 4.733 0 40 HJAB COCc1ccc(C(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2C)cc1 19239752 JSBFYIAUCTXHDO-QHCPKHFHSA-N 416.525 4.669 0 40 HJAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cnn(Cc4ccccc4F)c3)c2)n1 19718272 RYILKGXYMKPCCF-UHFFFAOYSA-N 423.879 4.779 0 40 HJAB COc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c(OC)cc1Cl 20048756 MTNJNKQQCMBVFL-UHFFFAOYSA-N 419.886 4.950 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 20483815 QYDQVKVTFRFZLX-IBGZPJMESA-N 407.341 4.808 0 40 HJAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 20807212 HRBNXKDGOLTHFX-NQIIRXRSSA-N 416.993 4.724 0 40 HJAB COc1ccc([C@@H](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)NC(C)=O)cc1 21466972 KVGCVURYQCHZJQ-XMMPIXPASA-N 408.542 4.577 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(F)c2)cc1Cl 21577212 JBTWRKRFUCKJCP-UHFFFAOYSA-N 421.925 4.605 0 40 HJAB CC(C)c1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2)cc1 22274120 JGULCQHASUUOLS-UHFFFAOYSA-N 408.523 4.644 0 40 HJAB O=C(Nc1cnc2ccccc2c1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 22494371 WVNDRXPZSRBACG-UHFFFAOYSA-N 415.522 4.608 0 40 HJAB CCOC(=O)c1c(CSc2nncn2-c2ccccc2C)nc2ccccc2c1C 32721659 RAMVJPOGUCHZPW-UHFFFAOYSA-N 418.522 4.901 0 40 HJAB O=C(NCc1ccccc1)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 33653008 PYQVXNYSSUGBTA-UHFFFAOYSA-N 408.465 4.942 0 40 HJAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc3ccccc23)CC1 33658928 MWRVBGNUDXPXRD-UHFFFAOYSA-N 421.928 4.804 0 40 HJAB Cc1ccc(-c2nc(CSCc3nc(N)nc(Nc4ccc(F)cc4)n3)co2)cc1 40051432 YIDWVIZVVPTBTL-UHFFFAOYSA-N 422.489 4.733 0 40 HJAB COc1ccc(OC)c(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1 40128549 BSESIZIQCZPXGD-UHFFFAOYSA-N 410.518 4.888 0 40 HJAB C[C@@H]1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)[C@H]2CCCC[C@@H]21 40133824 ZHYUYIZENIZSRB-YSZBQJHXSA-N 411.567 4.701 0 40 HJAB COc1ccc(-c2nc(CSCC(=O)N(C)c3ccccc3)cs2)cc1OC 45023528 LASYESSSXCAWKV-UHFFFAOYSA-N 414.552 4.724 0 40 HJAB CN(Cc1ccccc1)c1ccccc1NC(=O)CCCn1c(=O)oc2ccccc21 48325196 HIZBANKLWWPVIH-UHFFFAOYSA-N 415.493 4.650 0 40 HJAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccn(CCc4ccncc4)n3)s2)c(C)c1 60335105 PRFGADKDMKNLTN-UHFFFAOYSA-N 417.538 4.822 0 40 HJAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]1c1ccnc(-c2ccc(Cl)cc2)n1 72355867 HGNIFDLUZKMPHK-HXUWFJFHSA-N 403.873 4.651 0 40 HJAB CCn1ncc(CN2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)c1C 72374960 JNLSJIFELVHCRY-HXUWFJFHSA-N 404.562 4.741 0 40 HJAB CCc1nnc(Nc2cccc([C@H]3CCCN(Cc4cccc(OC)c4)C3)n2)s1 72375968 ZVJCXTZJPVXVES-KRWDZBQOSA-N 409.559 4.627 0 40 HJAB Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)CCc4ccccc4)CC3)noc2n1 72390213 BHCSJFXKWIQQBG-UHFFFAOYSA-N 417.431 4.889 0 40 HJAB CCOCc1ccc(C(=O)N2CCCC[C@@H]2c2nc(C)ncc2-c2ccncc2)cc1 72390669 ZWZFKEOLMVNPDF-HSZRJFAPSA-N 416.525 4.751 0 40 HJAB COc1ccc(C(=O)Nc2c(NCc3ccccc3)c3ccccc3oc2=O)cc1 101094206 BWHAZQXSYWGKNM-UHFFFAOYSA-N 400.434 4.666 0 40 HJAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)Nc1cc(F)ccc1Cl 101354163 HQLFWYDJAVOGKO-UHFFFAOYSA-N 421.859 4.975 0 40 HJAB COc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OC 106704939 FJNMHPOMQKWHOT-YVLHZVERSA-N 403.887 4.902 0 40 HJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2ccccc2)no1 219343155 IGTORPSCJUSIMN-FQEVSTJZSA-N 401.466 4.706 0 40 HJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4nccs4)c3C)N21 222675228 FALINYJHFWFHQM-KFKAGJAMSA-N 409.584 4.925 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(Cl)cc1 223773276 LTVMOYUPWJEJHP-OAHLLOKOSA-N 422.953 4.515 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 224195412 GFWZBXOLUMUWFE-DEOSSOPVSA-N 422.569 4.548 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 224761200 LFKXBHJEXFFFOQ-OAQYLSRUSA-N 418.940 4.601 0 40 HJAB CCc1ccc(CC)c(CNC(=O)COc2cc(C)c(Br)c(C)c2)c1 225083168 LXAPFVRYOFSVJZ-UHFFFAOYSA-N 404.348 4.886 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 225161972 WISJJFLTTAYYND-QHCPKHFHSA-N 424.585 4.831 0 40 HJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225413791 OXVKAAHSJMVCIF-CQSZACIVSA-N 403.891 4.663 0 40 HJAB CO[C@]1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCC[C@@H](C)C1 225636587 NHAICCMXTWFFBM-HYBUGGRVSA-N 402.579 4.721 0 40 HJAB COc1cc(C)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C(C)C 225641414 YYPCFGKUBNVECV-UHFFFAOYSA-N 401.572 4.770 0 40 HJAB COc1cc(C)c(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@@H](C)C4)nc2C3)cc1C 253530817 YVELKOSVTCBXGK-CGYQNGNCSA-N 406.574 4.600 0 40 HJAB COc1cccc2[nH]c(C(=O)N3CCC[C@H]3c3ncc(Cc4cccc(F)c4)o3)cc12 257275752 NQSYQJDJVMJDDF-NRFANRHFSA-N 419.456 4.872 0 40 HJAB CC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1 408709036 WQNOVLLPPJVRGS-HPUBIQBYSA-N 421.379 4.523 0 40 HJAB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3c4ccccc4C[C@@H]23)cc1OC 408999031 RESLALLENNWDEN-FOVJLYNBSA-N 401.462 4.873 0 40 HJAB O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1CC2(CC2)c2ccccc21 548149628 QCRQISYFCJIUFI-UHFFFAOYSA-N 416.481 4.827 0 40 HJAB Cc1ccc(-c2ccc(CNc3ccc(NC(=O)[C@H](C)n4cncn4)cc3)o2)cc1 676319364 QGNKRZPYLDDRJD-KRWDZBQOSA-N 401.470 4.658 0 40 HJAB CC(C)(CNC(=O)N[C@@H]1COc2c(F)cc(F)cc2C1)c1ccc2ccccc2c1 1565165701 VHEUHXTZLMEVIZ-FQEVSTJZSA-N 410.464 4.699 0 40 HJAB Cc1nc(CN2CCC3(CC2)Oc2ccc(Cl)cc2[C@@H]2OCCC[C@H]23)cs1 1615160572 ZSKMFJVDUNILLD-QUCCMNQESA-N 404.963 5.000 0 40 HJAB CCC1=NN(C(=O)c2ccccc2Cl)[C@@](O)(c2ccc(Br)cc2)C1 840551 XDJYDNIKGWYEIJ-SFHVURJKSA-N 407.695 4.560 0 40 HJAB COc1ccc(C)cc1NC(=O)CSc1nnc2cc(C)c3cc(C)cc(C)c3n12 903009 LQIZUJXNTYPKLP-UHFFFAOYSA-N 420.538 4.856 0 40 HJAB c1ccc2c(c1)CCCN2[C@@H](c1ccc2ncccc2c1)c1nnnn1C1CCCC1 1337731 OUNLQOBJYHWINM-DEOSSOPVSA-N 410.525 4.879 0 40 HJAB Cc1ccc(CS(=O)(=O)c2nc3c(c(Oc4ccc(F)cc4)n2)CCCC3)cc1 1403601 LOIQTOICJOPRDZ-UHFFFAOYSA-N 412.486 4.569 0 40 HJAB Cc1ccc(Cn2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)cc1 2396809 ZKMXYTMRXWYQOA-UHFFFAOYSA-N 422.488 4.880 0 40 HJAB O=C(Nc1c2n(c(=S)n(-c3ccccc3)c1=O)CCCCCC2)c1ccccc1 2617582 NCJXCKSBYSEFPC-UHFFFAOYSA-N 405.523 4.737 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1OCc1ccc(F)cc1 3248089 ALNIXPXEHKRQAC-QGZVFWFLSA-N 419.452 4.539 0 40 HJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1 3483371 OPOIKYRHGZGSHS-UHFFFAOYSA-N 414.914 4.808 0 40 HJAB CC[C@@H](C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 4240800 IKBCFGDPZMYFSH-QUCCMNQESA-N 414.571 4.548 0 40 HJAB Cc1ccc(CN2CCN(c3ncnc4sc5c(c34)C[C@H](C)CC5)CC2)c(C)c1 4284122 AMXLSOWIMPHJNG-QGZVFWFLSA-N 406.599 4.755 0 40 HJAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 4672216 SQILBCLFGUCPLM-DEOSSOPVSA-N 405.881 4.656 0 40 HJAB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2ccc(C(C)C)cc2)CC1 4711795 HASPSRIBOVFWDP-SDNWHVSQSA-N 419.569 4.767 0 40 HJAB COc1ccc(CCNc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1OC 4757806 RBDNEUPGVKBZEX-UHFFFAOYSA-N 409.433 4.896 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 5205830 MHZMPVHKJVFBQA-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O 5304466 XRIDISUGDVFRMS-UHFFFAOYSA-N 403.869 4.659 0 40 HJAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2)Nc2ccccc2)cc1 5895931 USOIXSDZDNZRMO-XXBNENTESA-N 415.489 4.863 0 40 HJAB CCc1ccc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)cc1 5985108 IQYRIIFOZAKTAQ-UHFFFAOYSA-N 406.873 4.897 0 40 HJAB COc1cc([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1ccccc1C 6678765 JNETUOYSBGBIBC-QVKFZJNVSA-N 423.538 4.777 0 40 HJAB COc1ccc(N(CC(=O)N(c2ccccc2)C(C)C)c2n[nH]c(=S)s2)cc1 6858921 OTRTYGDIWHIVQY-UHFFFAOYSA-N 414.556 4.789 0 40 HJAB COc1ccc(-c2nnc(S[C@H](C(=O)N3CCCCC3)c3ccccc3)o2)cc1 7088273 PMSCASYFOZINBR-IBGZPJMESA-N 409.511 4.591 0 40 HJAB Cc1cc(C)n(-c2ccc(COC(=O)/C=C/c3ccc(Br)o3)cc2)n1 7813491 DZYCLRLLMQAINM-CSKARUKUSA-N 401.260 4.601 0 40 HJAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc(C)c1Br 7928355 ZJEPTOVHHMUACS-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 8480117 BHEGKDURQBVPOZ-IBGZPJMESA-N 402.494 4.639 0 40 HJAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c1C 8893090 XKNYOKTTXPKLKR-CQSZACIVSA-N 424.526 4.819 0 40 HJAB O=C1Nc2ccc(Br)cc2[C@]12Nc1ccccc1-c1nc3ccccc3n12 9090408 KJFLMZQSTFAULI-OAQYLSRUSA-N 417.266 4.545 0 40 HJAB CCN1C(=O)c2cc(NC(=O)COc3ccc(C)cc3)ccc2Oc2ccccc21 9134726 KOMAIAIQPQVAAV-UHFFFAOYSA-N 402.450 4.785 0 40 HJAB Cc1ccccc1CSc1nnc(-c2ccc(I)cc2)o1 9200191 IWGLCNIYTIEKEX-UHFFFAOYSA-N 408.264 4.942 0 40 HJAB O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1sc2ccccc2c1Cl 9427786 RVSFDKUYWTUKSG-UHFFFAOYSA-N 413.842 4.628 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 11170475 QAVOLWIHFNXGAA-GOSISDBHSA-N 403.478 4.573 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccccc1SC(F)F 11506732 XIAXMOPNMUHQEG-UHFFFAOYSA-N 418.421 4.760 0 40 HJAB Cc1ccc(CN2CCC(O)(Cn3c(C(F)(F)F)cc4cccnc43)CC2)cc1C 12233768 SIDUCXISOXMCHV-UHFFFAOYSA-N 417.475 4.699 0 40 HJAB CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(C)c(Cl)c2)cc1 12949466 QNFFXXXUQALNCG-UHFFFAOYSA-N 411.889 4.835 0 40 HJAB O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)N1CCCc2ccccc21 13649654 IBLQUGKRALYTAI-DEOSSOPVSA-N 418.518 4.647 0 40 HJAB CCOc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c1 13671203 VDGCFTZGSQKSHH-HSZRJFAPSA-N 422.506 4.705 0 40 HJAB O=C(c1ccccc1I)N(Cc1ccco1)Cc1cccs1 14999570 XSZJJVIDXRMVCS-UHFFFAOYSA-N 423.275 4.788 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(F)c1 15276235 UATSXNGJSNRLHJ-ACRUOGEOSA-N 422.843 4.530 0 40 HJAB COc1cccc(-c2nc(COC(=O)c3ccc(-n4cccc4)cc3)cs2)c1OC 17183067 JZKZVIOSBHARKW-UHFFFAOYSA-N 420.490 4.975 0 40 HJAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 19219228 BNUYXGDPPAFICD-PKTZIBPZSA-N 409.570 4.677 0 40 HJAB O=C(C1CCC1)N1CC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19294143 ARBOLYNKNJEAKD-GOSISDBHSA-N 417.488 4.537 0 40 HJAB CC(C)c1nc2ccc(NC(=O)c3cccc(N4C(=O)C[C@@H](C)C4=O)c3)cc2s1 19462377 RYSORSOVBYCXND-CYBMUJFWSA-N 407.495 4.571 0 40 HJAB CCCOc1ccccc1CN1CCC[C@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 19525167 JSLROESNQPFBPV-FQEVSTJZSA-N 421.545 4.632 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)[C@@H](C)n3nccc3C)CC2)n1 19691216 XFIJFMJXPGOGCD-GOSISDBHSA-N 406.505 4.668 0 40 HJAB Cc1nc([C@@H]2CCCN2Cc2ccc(F)cc2)ncc1C(=O)Nc1ccc(F)cc1 19755045 RPVAAWGJVJAGOP-NRFANRHFSA-N 408.452 4.653 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc2ccccc12 20061604 FQJWTEBSJYYINO-UHFFFAOYSA-N 422.550 4.965 0 40 HJAB CC(C)(C)n1nnnc1[C@@H](c1cccs1)N(Cc1ccccc1)Cc1cccnc1 20098689 FYBUJFRVPXOOHJ-OAQYLSRUSA-N 418.570 4.676 0 40 HJAB Cc1cn2c(=O)cc(CSc3ccccc3NC(=O)c3ccccc3C)nc2s1 21535951 JNUDDZMBORFPNA-UHFFFAOYSA-N 421.547 4.917 0 40 HJAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 21596093 XQGKPZACUFSXCH-UHFFFAOYSA-N 414.571 4.819 0 40 HJAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 26146957 UYWNFZZUXGBEFI-UHFFFAOYSA-N 416.433 4.724 0 40 HJAB CCc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(OC)c2)c1 28534859 ODNBGHDOTRLONR-UHFFFAOYSA-N 419.529 4.814 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 30860065 SYKUFCKGPWKIIL-GOSISDBHSA-N 408.523 4.595 0 40 HJAB Cc1cc(C)cc(OCCSCc2cc(=O)n3c4c(sc3n2)CCCC4)c1 32778765 VUADNDYDMWSXRQ-UHFFFAOYSA-N 400.569 4.564 0 40 HJAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@@H](c1ccccc1F)c1nccn1C 44380311 TYVAIYWTBPGZBY-IERDGZPVSA-N 409.505 4.530 0 40 HJAB CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 44774945 ARGMKEIULVSZSO-IAGOWNOFSA-N 406.507 4.733 0 40 HJAB CC[C@@H](C)n1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2cc(C)[nH]c2c1=O 67238884 UPLLGGACOUCNLH-CYBMUJFWSA-N 418.950 4.697 0 40 HJAB COc1cc(C(=O)NCCc2nc3ccccc3s2)cc(Cl)c1OC(C)C 69321887 RFORKZDJXCUZEY-UHFFFAOYSA-N 404.919 4.718 0 40 HJAB O=C(Nc1ccccc1SCc1ccsc1)C(=O)N1CCC[C@H]2CCC[C@@H]21 78948013 IQKQPURULIHEKS-AEFFLSMTSA-N 400.569 4.770 0 40 HJAB COc1ccc([C@H]2C=C(c3ccc(Cl)cc3Cl)Nc3ncnn32)cc1OC 101096053 AKXVIICFLBCWEC-MRXNPFEDSA-N 403.269 4.658 0 40 HJAB NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncnc2scc(-c3ccc(Cl)cc3)c12 110572281 KHMRTKOBQZNUBE-COXVUDFISA-N 412.946 4.635 0 40 HJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 223517010 WBFPKLXTUUKYRQ-FQEVSTJZSA-N 412.599 4.545 0 40 HJAB Cc1c(Cl)cnc(NC(=S)NCC2(c3ccccc3)CCOCC2)c1Cl 224011107 IDQKBACIKXFNCV-UHFFFAOYSA-N 410.370 4.732 0 40 HJAB CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1COc1ccccc1C(C)(C)C 224515335 PWTVSHBHZFERKW-UHFFFAOYSA-N 424.585 4.740 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccc(C)cc1 225443393 AQZZIFBVRQDIDQ-FGZHOGPDSA-N 424.585 4.529 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225447303 OHDBWCSSGVQSQS-NHCUHLMSSA-N 424.585 4.563 0 40 HJAB CC[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(OC)cc1 225490668 DBYDNFVPNXPWOC-NRFANRHFSA-N 411.571 4.759 0 40 HJAB Nc1nnc(/C=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)o1 226341814 NBQJUKMGPSKZRP-SNAWJCMRSA-N 424.657 4.956 0 40 HJAB CCN(C(=O)CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)c1ccccc1 408546668 MCIWWVKHHLSMIH-UHFFFAOYSA-N 407.326 4.924 0 40 HJAB COc1ccc(S(=O)(=O)N(Cc2cccc(Cl)c2)c2cccc(OC)c2)cc1 408628254 VIIPDQUXDFCFFA-UHFFFAOYSA-N 417.914 4.753 0 40 HJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(F)cc2F)cc1 408675127 GQRONLAEPFVVDY-UHFFFAOYSA-N 406.388 4.715 0 40 HJAB CCOC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(C)cc2)cs1)c1ccccc1 408982704 YQOQAOWQYBRMJB-SFHVURJKSA-N 409.511 4.935 0 40 HJAB COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3c4ccccc4C[C@H]23)cc1OC 409001940 RBQBUVHCLZLIBL-PMOQBDJRSA-N 401.462 4.873 0 40 HJAB O=C(CC(F)(F)F)Nc1ccc(NC(=O)N2CCCO[C@H](c3ccccc3)C2)cc1 670066372 UNOZWAAWYQVBLW-SFHVURJKSA-N 421.419 4.573 0 40 HJAB Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)Nc3nc(C)c(C)s3)n12 929755 KKJWOLZQZYVTBD-UHFFFAOYSA-N 411.556 4.612 0 40 HJAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@]32CCOC(C)(C)C2)cc1 1321804 JMYJAWUSQAQZRN-YKSBVNFPSA-N 408.498 4.533 0 40 HJAB biogenic CC(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3ccccc3oc2=O)cc1 1330122 DMUAIQZEJBSVSE-OAQYLSRUSA-N 405.494 4.738 0 40 HJAB Cc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccncc1 1341704 DQOZFEGOBITBCJ-HSZRJFAPSA-N 417.509 4.820 0 40 HJAB Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3cccc(F)c3)N(C3CCCCC3)C2=O)c1 1443564 ADCCRSWYOSDTBO-NRFANRHFSA-N 423.488 4.633 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3ccc(O)cc3)c3ccccc3n2)cc1OC 2247721 VLIAUHJPVACHJO-UHFFFAOYSA-N 400.434 4.877 0 40 HJAB COc1ccccc1C(=O)Nc1cc(-c2nnc3c4ccccc4c(C)nn23)ccc1C 2388914 JOGFEMBZYNHVLN-UHFFFAOYSA-N 423.476 4.822 0 40 HJAB Cc1ccc(N2C(=O)N(Cc3ccccc3)c3ccccc3S2(=O)=O)cc1Cl 2699072 XFLDZTIOSQLDNF-UHFFFAOYSA-N 412.898 4.984 0 40 HJAB Cc1ccc(NC(=O)CSc2nccc(-c3cccc(OC(F)F)c3)n2)cc1 2808999 CCGGIXHAVRDBBO-UHFFFAOYSA-N 401.438 4.784 0 40 HJAB Cc1ccc(-c2cnc(SCCNC(=O)c3ccc(Br)cc3)[nH]2)cc1 4315428 CMAMESACDLVEDZ-UHFFFAOYSA-N 416.344 4.670 0 40 HJAB O=c1c2ccccc2nnn1CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 4516641 LHFLJWQXUCBRJZ-UHFFFAOYSA-N 412.474 4.863 0 40 HJAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCCC(C)C)cc1 4731431 NCTASUBGUVWKTH-JOCHJYFZSA-N 405.498 4.923 0 40 HJAB O=C(CNCc1ccccc1)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 4750036 QSWJVQXBLNLXRJ-UHFFFAOYSA-N 406.338 4.769 0 40 HJAB C[C@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc1cccc2ccccc12 4934501 BUFCVTYTLOQFER-AWEZNQCLSA-N 413.506 4.789 0 40 HJAB COc1cc2ccccc2cc1C(=O)N(CCN(C)C)c1nc2c(C)cccc2s1 5115499 VVZZSLLWHHYGPD-UHFFFAOYSA-N 419.550 4.975 0 40 HJAB CC[C@H](C)NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 6024692 NDPJKZPGEDIKEA-ZDUSSCGKSA-N 406.313 4.837 0 40 HJAB Cc1cc(-c2csc(N3CCN(C)CC3)n2)c(C)n1Cc1ccccc1Cl 6085591 GEKFCPWIQMXXAS-UHFFFAOYSA-N 400.979 4.682 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2c3ccccc3C[C@@H]2C)c1 6707699 FZXHPQAAWVODAQ-SFHVURJKSA-N 420.534 4.696 0 40 HJAB CCN(CC)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 6869536 KMBZTMNYNYAGGZ-UHFFFAOYSA-N 403.505 4.980 0 40 HJAB Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1CCc1ccccc1 7433517 SZQQYABKJGVBGM-UHFFFAOYSA-N 401.466 4.659 0 40 HJAB Cn1c(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)nc2ccccc21 8166195 WHCMDOTZJKISEM-HXUWFJFHSA-N 411.527 4.772 0 40 HJAB O=C(CSc1nc(-c2cccs2)n[nH]1)N[C@H](c1ccccc1)c1cccs1 8528214 ZWWSZEALHWMWAN-QGZVFWFLSA-N 412.565 4.593 0 40 HJAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21 8959748 KTTVJACCJBZRKI-UHFFFAOYSA-N 414.933 4.929 0 40 HJAB COc1ccc(-c2nnc(NC(=O)c3ccccc3C(=O)c3ccccc3)s2)cc1 9062356 UWQMGNRDKPHVFU-UHFFFAOYSA-N 415.474 4.697 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](NC[C@@H]1COc2ccccc2C1)c1ccccc1 9315075 KRQPQYTZIDADTM-KBMIEXCESA-N 416.521 4.524 0 40 HJAB CCc1nc2ccccc2n1CC(=O)N1CCc2sccc2[C@H]1c1cccs1 9378146 BGHWCKPAQTZNED-QFIPXVFZSA-N 407.564 4.896 0 40 HJAB O=C(NCc1ccccc1)c1ccccc1OCc1nc(-c2ccccc2Cl)no1 9448022 SSJGPVHONUKQQN-UHFFFAOYSA-N 419.868 4.899 0 40 HJAB COc1ccccc1Oc1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 11519874 BJAGZUVDTHTZLL-OAQYLSRUSA-N 420.490 4.929 0 40 HJAB CN(C(=O)C1CC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 12326079 LOESIFAVEMMHOC-UHFFFAOYSA-N 409.555 4.652 0 40 HJAB O=c1c2sccc2nc(SCc2noc(-c3ccsc3)n2)n1-c1ccccc1 12907970 NAYFPAGLJDSPQL-UHFFFAOYSA-N 424.532 4.851 0 40 HJAB CCOc1ccccc1-c1noc(COc2ccc3c(C(C)C)cc(=O)oc3c2)n1 12937547 GSPUBNSGQNSGPB-UHFFFAOYSA-N 406.438 4.944 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)c3C)C2)c2ccccc12 12978032 VZEQQLONMIGGEF-LJQANCHMSA-N 416.521 4.956 0 40 HJAB Cc1cc(C(=O)OCC(=O)N2CC[C@H](C)Sc3ccccc32)c2ccccc2n1 13074092 FILFVIQNCMVVJZ-INIZCTEOSA-N 406.507 4.618 0 40 HJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)c1 13631111 HKSKGENKICUSOO-IBGZPJMESA-N 402.494 4.972 0 40 HJAB CCCn1nc(C(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)c2ccccc2c1=O 16176149 YJKRULPQSKHVGJ-JOCHJYFZSA-N 419.525 4.573 0 40 HJAB COc1cc(NC(=O)COc2cccc(C)c2)ccc1NC(=O)c1ccccc1Cl 17094136 BKRTXONIPSWRQK-UHFFFAOYSA-N 424.884 4.927 0 40 HJAB CN(Cc1c(F)cccc1Cl)C(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 19298295 ISGNINSEIGCBQX-UHFFFAOYSA-N 407.873 4.759 0 40 HJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3cccnc3)cc2N1 19451200 JUTOOXQUJUOQCQ-RYQLBKOJSA-N 421.467 4.589 0 40 HJAB C[C@H]1Cc2cc(CN(C)C(=O)CCCc3nc4cc(Cl)ccc4n3C)ccc2O1 19713995 PTQQUNZOLSWPSY-HNNXBMFYSA-N 411.933 4.531 0 40 HJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)c(Cl)c1 20490898 IKESYZAFODUOGO-GFCCVEGCSA-N 423.918 4.653 0 40 HJAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)Cc1ccsc1 21935620 SRXFKUUGSBBINW-KRWDZBQOSA-N 413.370 4.858 0 40 HJAB CCn1cc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)c2cc(OC)ccc21 22236024 SYYLQWOWDZZKHT-UHFFFAOYSA-N 412.489 4.549 0 40 HJAB CN(Cc1ccccc1Cl)C(=O)Cc1csc(COc2ccc(F)cc2)n1 22376244 MWLZBNJYKUNVAN-UHFFFAOYSA-N 404.894 4.716 0 40 HJAB CC(C)c1noc(COC(=O)c2c(NC(=O)C3CCCCC3)sc3c2CCC3)n1 22750603 VGFQKUIYGPIBEJ-UHFFFAOYSA-N 417.531 4.619 0 40 HJAB CCc1ccc(-c2noc(CCC(=O)NCC3(c4ccccc4)CCCC3)n2)cc1 22839250 ZCWFCGAKNIRFTO-UHFFFAOYSA-N 403.526 4.860 0 40 HJAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc(-c2nc3ccccc3o2)cc1 22847829 LQJDHQSLMKMXIW-UHFFFAOYSA-N 421.403 4.532 0 40 HJAB CC(C)c1ccc(-n2cnnc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 24251012 DGRLJQNXKRGGJC-UHFFFAOYSA-N 410.587 4.568 0 40 HJAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2csc(-c3ccccc3Cl)n2)C1=O 24964104 RECODBBBEKAOJQ-FQEVSTJZSA-N 415.877 4.570 0 40 HJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(OCC(C)C)cc1)CC(O)=N2 32101378 NIXXEPAXHGGSRQ-INIZCTEOSA-N 411.893 4.783 0 40 HJAB O=C(c1ccc(-c2ccccc2F)s1)N1CCC(c2nnc3ccccn23)CC1 32826749 DFGDBLYXQLMMNZ-UHFFFAOYSA-N 406.486 4.617 0 40 HJAB Cc1cc2oc(=O)cc(CN3CCN(c4ccc(F)cc4)CC3)c2c(C)c1Cl 54106043 ABAZYMPWFIPILI-UHFFFAOYSA-N 400.881 4.525 0 40 HJAB biogenic CCn1c2ccccc2c2cc(NC(=O)[C@@H](NC(=O)c3ccncc3)C(C)C)ccc21 58166031 QHYRCYCBXPXKPC-QHCPKHFHSA-N 414.509 4.603 0 40 HJAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C)cc2)C12CCCCC2 72401164 QWTDJTRDKPHJKF-QFIPXVFZSA-N 406.526 4.522 0 40 HJAB O=C(NC1(c2nc(-c3ccncc3)no2)CCCCC1)c1ccc(F)c(Cl)c1 77197430 BNDYNDPFYUKRIU-UHFFFAOYSA-N 400.841 4.514 0 40 HJAB CCCNC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccc(OC)cc3[nH]2)C[C@H]1C(C)C 77262124 CFXRZRDMAVOZLH-BJLQDIEVSA-N 412.578 4.678 0 40 HJAB biogenic,in-vitro O=C(Nc1nc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)co1)c1ccsc1 90582922 BLCLKYAXKKVASM-UHFFFAOYSA-N 401.447 4.812 0 40 HJAB Cc1ncn(C23C[C@H]4C[C@@H](CC(C(=O)N[C@@H](c5ccc(F)cc5)C(C)C)(C4)C2)C3)n1 100774262 RIPKEACXDXDDAN-JVDQWIMOSA-N 410.537 4.535 0 40 HJAB Cc1cccc(C)c1Oc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)O)cc1 102093627 VJKRAQBZTSCFHW-VXAPCQRLSA-N 403.478 4.803 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)c1 136688262 WNDQLVKBMNMXBJ-DJKXOVBDSA-N 408.885 4.602 0 40 HJAB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)cc2)C1 219240841 UXXMHMHZSBHNOP-INIZCTEOSA-N 424.932 4.552 0 40 HJAB CC(C)c1ccccc1O[C@@H](C)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219300903 SPPHIBLQOWRCOO-HNNXBMFYSA-N 413.905 4.939 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 223229776 IRYIVRZBHXXSRQ-IBGZPJMESA-N 414.977 4.833 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 223305567 DBRWXPJAPFFOFP-QHCPKHFHSA-N 408.586 4.876 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 223880566 AYGYMCKSJKIBMD-LJQANCHMSA-N 412.549 4.825 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 224517463 JBMAYUKQVCHVMF-QFIPXVFZSA-N 412.599 4.667 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 224628643 LGQSFQJMKRXPJY-VWLOTQADSA-N 420.597 4.755 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 224669082 KKQALIAOEVYBLT-IBGZPJMESA-N 412.549 4.824 0 40 HJAB CCOc1cc(-c2nnc(N)o2)cc(Cl)c1OCc1cccc(Br)c1 226325812 MNWOWCBHDOCYEB-UHFFFAOYSA-N 424.682 4.712 0 40 HJAB O=C(O)c1ccc(-c2cc(NC(=S)NC(=O)C3CCCCC3)ccc2Cl)o1 226351705 ZBZDYFMVSSDZNJ-UHFFFAOYSA-N 406.891 4.692 0 40 HJAB CCCCc1ccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 408705896 PUWDRBOWOYLJRQ-UHFFFAOYSA-N 416.587 4.831 0 40 HJAB CC(C)(C)c1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 408709133 OWZAREVOPSDYOH-UHFFFAOYSA-N 400.522 4.871 0 40 HJAB O=C(O)[C@@H]1CS[C@@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N1 408817242 XKIRALXPLLJYTM-WMZOPIPTSA-N 407.322 4.785 0 40 HJAB CCc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 409027161 BBLJTCVWMLVMMZ-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB CCOc1ccc(N2C(=O)/C(=C/c3c(OC)ccc4ccccc34)N(C)C2=S)cc1 409037803 UBODRYDJPSBFJJ-QNGOZBTKSA-N 418.518 4.852 0 40 HJAB O=C(Nc1ccc(F)c(F)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 409265518 SYRQOXGSCMEXGT-QHCPKHFHSA-N 424.472 4.991 0 40 HJAB O=C(NCC1(c2ccccc2F)CCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1 1130719150 ZOVJYTDGYWSCHZ-UHFFFAOYSA-N 419.378 4.746 0 40 HJAB O=C(NCc1ccc([C@@H]2C[C@H]2C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21 1536221618 XJKYYUMIPCYFGO-XZOQPEGZSA-N 413.473 4.913 0 40 HJAB CCOc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1 938141 QSDBLCMVAFYRDB-UHFFFAOYSA-N 405.111 4.924 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccccc1N1CCOCC1 1033528 TXFFUSSFPNPJFN-UHFFFAOYSA-N 415.852 4.531 0 40 HJAB CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(OC)cc1)CC2=O)c1ccccc1 2421722 WTEAXSHWWMTPMI-UYAOXDASSA-N 415.493 4.530 0 40 HJAB Cc1cc(SCC(=O)Nc2ccc(OC(F)F)cc2)nc(-c2ccccc2)n1 2699689 QTIJNHKTGAMFHW-UHFFFAOYSA-N 401.438 4.784 0 40 HJAB CCOC(=O)c1sc2ncn3nc([C@@H]4C[C@H]4c4ccc(Cl)cc4)nc3c2c1C 2791520 RXVSFEPPDMBXRM-UONOGXRCSA-N 412.902 4.749 0 40 HJAB Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc3c(c2)OCCO3)c2ccc(C)cc2)cc1 3348922 GOPFFEKVQQUREJ-DEOSSOPVSA-N 402.446 4.856 0 40 HJAB COc1ccc(NC(=O)[C@@H](Sc2nnc3ccccn23)c2ccccc2)cc1Cl 3355307 FKCZDNSJJIAWNZ-IBGZPJMESA-N 424.913 4.863 0 40 HJAB COc1cc(C(=O)Nc2nnc(SCc3ccccc3F)s2)cc(OC)c1C 3373402 GIDNDWZZQLXSRN-UHFFFAOYSA-N 419.503 4.547 0 40 HJAB CC(C)(C)OC(=O)N1[C@H]([C@H](c2ccco2)N(O)Cc2ccccc2)COC1(C)C 3849353 KLBUEDVJOATHIN-PKOBYXMFSA-N 402.491 4.584 0 40 HJAB biogenic CCCn1c(SCC(=O)Nc2ccc(C)cc2)nc2c(oc3ccccc32)c1=O 4852695 TXJQCLUGEQUJCS-UHFFFAOYSA-N 407.495 4.592 0 40 HJAB CCc1cc2cc(OC)c(OC)cc2nc1SCC(=O)N1c2ccccc2C[C@@H]1C 4857756 RQKXHEOSERMVMG-HNNXBMFYSA-N 422.550 4.884 0 40 HJAB COc1ccc(C[C@H](C(=O)Nc2ccccn2)c2nc3ccccc3s2)cc1OC 5570208 XCHFDWGJOPPBCM-MRXNPFEDSA-N 419.506 4.674 0 40 HJAB CCOc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)ccc1O 6439523 BTBDBSRVDAICNZ-XZDDAZHMSA-N 421.537 4.699 0 40 HJAB CCc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)cc1 6463740 FYIDWCDVMBQWIV-GFCCVEGCSA-N 416.934 4.815 0 40 HJAB CCOc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1OCCOc1ccccc1 6639301 QOBCGKWHOZMYQM-UHFFFAOYSA-N 419.477 4.998 0 40 HJAB Cc1cccc(-c2noc(CN(C(=O)[C@@H](C)Oc3cccc(Cl)c3)C(C)C)n2)c1 6737008 AGXIMHYNVZYQPY-MRXNPFEDSA-N 413.905 4.903 0 40 HJAB CCCOc1ccc(-c2nonc2NC(=O)c2ccc(OC)cc2)cc1OCCC 6811499 YHDZJHZMOFMWPN-UHFFFAOYSA-N 411.458 4.575 0 40 HJAB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccncc1 6962594 KRNXGGZQHCWASL-CIAFOILYSA-N 414.490 4.597 0 40 HJAB Cc1ccc(CC(=O)N(CCCn2ccnc2)c2nc3ccccc3s2)c(C)c1 7424446 WMTFBRADGPVKMV-UHFFFAOYSA-N 404.539 4.776 0 40 HJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N[C@H](Cc1ccccc1)c1ccccc1 7440057 NBNVFXWVMCFVLF-OAQYLSRUSA-N 414.534 4.664 0 40 HJAB COc1ccc([C@H](CN[C@H](C)C(=O)Nc2ccccc2)c2c[nH]c3ccccc23)cc1 7546565 CWFUKMUVVOLMTD-JPYJTQIMSA-N 413.521 4.925 0 40 HJAB CC(=O)c1ccc(N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1 7751785 VEKQUMLWEFGFKX-UHFFFAOYSA-N 412.533 4.760 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(c1ccccn1)C3=O 8664930 AUKAOHKEJJLDJT-HXUWFJFHSA-N 402.837 4.900 0 40 HJAB O=C(N[C@H](C(=O)O)c1ccc(F)cc1F)OCC1c2ccccc2-c2ccccc21 8699165 QGICNEVQBKTRFK-NRFANRHFSA-N 409.388 4.629 0 40 HJAB O=C(Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2)c1cccc(F)c1 9028590 IUUOIWONJPMMCY-UHFFFAOYSA-N 411.816 4.734 0 40 HJAB COc1ccccc1-c1nnc(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)o1 9516330 VYGGPKNXYBZGPD-OAHLLOKOSA-N 423.538 4.594 0 40 HJAB COc1ccccc1-c1nc(CSc2nnnn2-c2ccc(Cl)cc2)cs1 9544885 NGHLORWJPOPAPN-UHFFFAOYSA-N 415.931 4.740 0 40 HJAB CCn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCc1ccccc1C 9699043 GBWMPWHIMGUERN-UHFFFAOYSA-N 414.962 4.525 0 40 HJAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCC(=O)Nc1cccc(Cl)c1C 10227164 SQHKXBOFAPGPQN-UHFFFAOYSA-N 402.281 4.527 0 40 HJAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C)c(F)c1 12414863 WGIFNXWNHKCPEN-UHFFFAOYSA-N 419.499 4.758 0 40 HJAB Cc1ccc2nc(CSc3nnc(-c4ccc(F)cc4)n3C[C@@H]3CCCO3)cn2c1 12575588 WQAQXIDKLPENMS-IBGZPJMESA-N 423.517 4.512 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 12741668 HWGRJAGAQTWFOI-GFCCVEGCSA-N 416.308 4.856 0 40 HJAB O=C(NC1CC1)c1cccc(N[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 12788056 RIVRMUVISKRGGW-JOCHJYFZSA-N 403.457 4.510 0 40 HJAB Cc1ccc(CN(C)C(=O)c2ccccc2SCC(=O)NCC2CCCCC2)o1 14181079 QCXPPQMTEYFKKO-UHFFFAOYSA-N 414.571 4.649 0 40 HJAB Cc1cccc(C)c1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 15391050 VCUXRDWOVCOKNJ-GOSISDBHSA-N 420.962 4.529 0 40 HJAB Cc1nc([C@@]2(O)CCCN(CC3CC3)CC2)sc1CCOc1ccccc1Cl 19738679 AXHNANPYVGKBRU-JOCHJYFZSA-N 421.006 4.810 0 40 HJAB CC[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1 22530002 UPOFCPBIGKRWGD-QPPBQGQZSA-N 420.534 4.935 0 40 HJAB CN1CCN(c2ccc(Cl)cc2NC(=O)CCCc2c[nH]c3ccccc23)CC1 24975300 NCZXCHPSHAKCBG-UHFFFAOYSA-N 410.949 4.535 0 40 HJAB COc1ccc(Cl)cc1NC(=O)Nc1c(C)nn(Cc2ccc(F)cc2)c1C 27921884 IMXMFZGRQHRPDY-UHFFFAOYSA-N 402.857 4.993 0 40 HJAB CCOc1ccc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@H]2c2ccccc2)cc1 28047978 JXHXNSWDFORSNJ-HSZRJFAPSA-N 420.896 4.923 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)cc1 36354881 VIKGTOGKRLIJCB-UHFFFAOYSA-N 417.465 4.910 0 40 HJAB O=C(Cc1ccc(NC(=O)c2ncc(-c3ccccc3)o2)cc1)NCc1cccs1 38678466 VWIUUVGSZWFWIZ-UHFFFAOYSA-N 417.490 4.514 0 40 HJAB O=C(CCc1cccc(Cl)c1Cl)NC1CCN(C(=O)Nc2ccccc2)CC1 40106533 WBKOXUYLMWZCIK-UHFFFAOYSA-N 420.340 4.739 0 40 HJAB COc1ccc(C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2ccccc2F)cc1 40485465 AUFLBOWADWEBQV-QHCPKHFHSA-N 419.452 4.896 0 40 HJAB CSCC[C@@H](NC(=O)c1ccc(C)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 41157656 ZHIZXRLMLQENQJ-QGZVFWFLSA-N 410.461 4.504 0 40 HJAB COC(=O)c1cc2ncn(C)c2c(F)c1Nc1ccc(Br)cc1Cl 44857632 FXRPCJGIUOQEOO-UHFFFAOYSA-N 412.646 4.659 0 40 HJAB COc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078998 DKPOGZNAHFSISQ-UHFFFAOYSA-N 404.441 4.680 0 40 HJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(Cc1cccc(C(F)(F)F)c1)CO2 57143092 LJKAPFROCDINGN-UHFFFAOYSA-N 415.411 4.961 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCOc1ccc(Cl)c(Cl)c1 58063372 QZQBUOHVFFDAJK-UHFFFAOYSA-N 418.324 4.666 0 40 HJAB Cn1c(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)nnc1C1CC1 58297802 MPLUQBJYBPKWEY-UHFFFAOYSA-N 422.945 4.886 0 40 HJAB CSc1cccc(-n2nc(-c3nc(-c4ccccc4)no3)c3ccccc3c2=O)c1 64950115 RQMMYLXMJAAHMC-UHFFFAOYSA-N 412.474 4.825 0 40 HJAB CC[C@H](C)n1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2cc(C)[nH]c2c1=O 67238885 UPLLGGACOUCNLH-ZDUSSCGKSA-N 418.950 4.697 0 40 HJAB Cc1cc(SCC(=O)N[C@H](C)CCc2ccccc2)nc(-c2cccc(F)c2)n1 67257401 GWAANPOFCHYXDJ-MRXNPFEDSA-N 409.530 4.821 0 40 HJAB Cc1cc(C)cc(C[C@H](C(=O)O)[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 71405981 CSJXHFTXPSCDFE-KSSFIOAISA-N 409.404 4.720 0 40 HJAB Cc1ccc(Nc2nccc([C@H]3CCCN(C(=O)CCCc4ccccc4)C3)n2)nc1 72378090 HDUQHKQBBFBKLH-NRFANRHFSA-N 415.541 4.653 0 40 HJAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3[C@H]2CCOC(C)(C)C2)cc1OC 95474589 LHBKRXUQNARFBE-KSSFIOAISA-N 417.531 4.622 0 40 HJAB CC(C)(C)c1cc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)on1 96167250 CTALCWYIQYHMTN-LJQANCHMSA-N 401.557 4.681 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c(F)c1 98072939 YOFTYAGUWVTAGU-UHFFFAOYSA-N 412.202 4.716 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 103121256 WNJXBOGCYMJUMP-VLWZLNORSA-N 423.553 4.840 0 40 HJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 222974787 JGGDMCORWLXHTI-SFHVURJKSA-N 413.905 4.823 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 222998089 CRSBXFBKTCQAFI-FQEVSTJZSA-N 412.599 4.811 0 40 HJAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 223416853 GEMYMUWZHKINSG-FCHUYYIVSA-N 420.582 4.819 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 223596548 AKKDIFPSFWHVBH-XMMPIXPASA-N 424.585 4.913 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 224179979 CUTUPECKCHKMAK-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(I)c1 225010668 LOEBZJCGROHJDP-UHFFFAOYSA-N 405.157 4.871 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 225076634 HFLFARRWIXEEMJ-FCHUYYIVSA-N 424.585 4.794 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N)cc1Br 227158636 PHFIKUOUNOSLQP-QMMMGPOBSA-N 404.091 4.744 0 40 HJAB Cc1ccc(-c2ccccc2CC2(C(=O)N[C@H]3CC[C@H](O)CC3)CCOCC2)c(C)c1 257284358 PCJIMGOBRFIDRV-YHBQERECSA-N 421.581 4.729 0 40 HJAB CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)CCc4cccnc4)CC3)C[C@@H]21 257331818 XUJZKXIBBRCUID-XUZZJYLKSA-N 420.553 4.572 0 40 HJAB O=C(NCc1ccccc1F)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257340512 ZGMCIFQMPDEYBD-UHFFFAOYSA-N 404.485 4.543 0 40 HJAB COc1cccc2cc(C(=O)NCCc3ccc(-c4ccsc4)s3)c(=O)oc12 575414037 LBLKEWKHVWALNF-UHFFFAOYSA-N 411.504 4.564 0 40 HJAB CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(-c2noc(C(F)(F)F)n2)cc1 585266970 ZPFNANKUEQWTQG-ZDUSSCGKSA-N 413.396 4.534 0 40 HJAB CN(C[C@H]1OCCc2ccccc21)C(=O)c1cnc(OC2CCCCC2)c(Cl)c1 622343836 POWBAYLPWIFKEW-OAQYLSRUSA-N 414.933 4.833 0 40 HJAB CC1(C)C[C@@]2(CCCN2C(=O)c2ccc(C(F)(F)F)nc2)CN1c1cccc(F)c1 2037988427 HBIXJRVBIFOEGB-NRFANRHFSA-N 421.438 4.903 0 40 HJAB COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC 707139 WPFLTAYJZMBPFV-UHFFFAOYSA-N 404.491 4.695 0 40 HJAB COc1ccc(-c2cc3ccccc3n2C[C@H](O)CNCCc2ccccc2)cc1 1889545 WFTFFJMWIVAYKL-HSZRJFAPSA-N 400.522 4.510 0 40 HJAB CCOc1ccc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)cc1 2140333 KFCNBFNLGMNIPJ-UHFFFAOYSA-N 420.383 4.604 0 40 HJAB CCN(CC)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(Cl)c2)O1 2273749 ULBBOWAIKHHEPN-UHFFFAOYSA-N 401.738 4.636 0 40 HJAB Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)c1 2402224 JTVBVDUHAGFTFO-UHFFFAOYSA-N 404.495 4.791 0 40 HJAB Cc1ccccc1Cn1nc(C)c(NC(=O)Cc2ccc(Br)cc2)c1C 2762586 ZYMJQZWUZNXJFX-UHFFFAOYSA-N 412.331 4.800 0 40 HJAB O=C(Nc1ccccc1)c1cc(Cl)cn(Cc2cccc(C(F)(F)F)c2)c1=O 3041665 LKQZKCSMFRAGGM-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2CC(C)C)cc1 3494853 WUVAHAYZZYXFHG-QGZVFWFLSA-N 424.570 4.579 0 40 HJAB CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 3652688 SHONPDCTZWXGQG-OMJMQIJPSA-N 400.862 4.623 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 3983847 RNFUORZCJMHGLE-HYUOFNBHSA-N 416.631 4.567 0 40 HJAB biogenic Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3cccc(F)c3)N(C3CCCCC3)C2=O)cc1 4704152 PTRRKGCJUJZKSW-NRFANRHFSA-N 423.488 4.633 0 40 HJAB CC(C)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccc(F)cc2)cc1 4732484 ZJZHANKZCPLMJR-UHFFFAOYSA-N 415.472 4.903 0 40 HJAB C[C@H]1CCCN(C(=O)C2(NC(=O)Nc3ccccc3C(F)(F)F)CCCCC2)C1 4982025 IEYTXAISNWIZEY-HNNXBMFYSA-N 411.468 4.788 0 40 HJAB O=C(COc1ccc(Cl)cc1)N1CCN=C1SCc1c(F)cccc1Cl 6862829 AQIGVBGDUOXAAK-UHFFFAOYSA-N 413.301 4.643 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)Cc1ccc(OC(F)F)cc1 6869888 SFLUFRCBCJVFIN-UHFFFAOYSA-N 405.832 4.708 0 40 HJAB Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c1C 7062978 KMDGMNHQQRUCCD-UHFFFAOYSA-N 400.434 4.907 0 40 HJAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OCC(C)C)c(OC)c2)cc1F 7075433 BXYVSEOVHRTDPR-AYAUWGRQSA-N 401.478 4.768 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2Cn2nc(C)n(-c3ccc(C)cc3)c2=S)c1 7316699 NKQNJCPVJVERRK-OAQYLSRUSA-N 424.570 4.832 0 40 HJAB O=C(CSc1nc2ccccc2o1)N1N=C(c2cccs2)C[C@H]1c1ccco1 8132153 YMBHPIFFEOSNRY-HNNXBMFYSA-N 409.492 4.952 0 40 HJAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc2noc(-c3ccccc3)c2c1 8327126 HCSHZBXVKQELEB-UHFFFAOYSA-N 400.434 4.538 0 40 HJAB Cc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2c(C)cccc2C)cc1Cl 8433495 LCRPMRCPFUOVKJ-UHFFFAOYSA-N 416.905 4.556 0 40 HJAB O=c1[nH]c(-c2cc(Br)cc(Cl)c2O)nc2sc3c(c12)CCCC3 9235917 VSCZVKMKXPBTDC-UHFFFAOYSA-N 411.708 4.652 0 40 HJAB CC(C)(C)C1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)C1 9781690 SLFDUPAKWWBXIX-QGZVFWFLSA-N 421.360 4.987 0 40 HJAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)c1 10325185 GRAAFJPMPICMRM-SFHVURJKSA-N 420.534 4.696 0 40 HJAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCCC[C@H]2C)c1 11877980 IPWOPLHITYYLQM-LJQANCHMSA-N 420.582 4.660 0 40 HJAB O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H](c2ccccc2)N(c2ccccc2)O[C@H]1C(=O)O 12376111 FMFPITJUNAVUGJ-PWRODBHTSA-N 422.868 4.541 0 40 HJAB O=C(Nc1ccc(Br)cc1)c1nn(-c2ccc(F)cc2)c2c1CCC2 12618129 VZDHIOHNJHARQJ-UHFFFAOYSA-N 400.251 4.515 0 40 HJAB Cc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n(C)c2ccc(Cl)cc12 12652554 UNGDJKUHPPUWKX-UHFFFAOYSA-N 402.325 4.756 0 40 HJAB O=C(Nc1ncc(Cc2ccccc2Br)s1)c1n[nH]c2ccccc12 12787464 ZYLVBODJSXNPJI-UHFFFAOYSA-N 413.300 4.625 0 40 HJAB O=C(NCCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1ccccc1Cl 13023824 RQOVXZLHUWTRIU-UHFFFAOYSA-N 420.940 4.731 0 40 HJAB Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1Cc1ccc2c(c1)OCO2 13129314 LNWRZPHKKUWUID-UHFFFAOYSA-N 420.490 4.998 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2ccc3nc(-n4c(C)ccc4C)sc3c2)cc1 13690563 MQBIYFIFHXGSMM-UHFFFAOYSA-N 404.495 4.915 0 40 HJAB COc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)ccc1OC(=O)c1ccccc1 13927553 SMCKHQPJZUZULL-ZHZULCJRSA-N 413.429 4.567 0 40 HJAB Cc1cc(C)c2sc(N3CCN(C(=O)Cc4ccc5ccccc5c4)CC3)nc2c1 13973130 GPHALQQASIDNRG-UHFFFAOYSA-N 415.562 4.958 0 40 HJAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc(C)c1Cl 14001079 WBMNAGHBMMARQN-UHFFFAOYSA-N 400.906 4.600 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2C)cc1 14082197 UEFPGCCHLNCHTE-UHFFFAOYSA-N 421.551 4.645 0 40 HJAB O=C(COc1ccc(Br)cc1F)N(Cc1ccco1)Cc1cccs1 14999364 LBGKAMMSEYODJQ-UHFFFAOYSA-N 424.291 4.851 0 40 HJAB COc1cc(NC(=O)c2cnc(SC)n2-c2ccc(F)cc2)c(OC)cc1Cl 15317320 YIGUMVIBEFHKTJ-UHFFFAOYSA-N 421.881 4.656 0 40 HJAB O[C@H](CNCc1cc(Br)ccc1OCc1ccccc1)c1ccccc1 16480514 CNTNIJKAPDNBKV-OAQYLSRUSA-N 412.327 4.851 0 40 HJAB C[C@@H]1CCc2c(sc(NC(=O)c3cccc(OCc4ccccc4)c3)c2C(N)=O)C1 17092361 FKKKHYQSOJZNSQ-OAHLLOKOSA-N 420.534 4.803 0 40 HJAB C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccc(Cl)cc1Cl 17579047 INJCALNFZOUQRN-WYRIXSBYSA-N 407.322 4.800 0 40 HJAB COc1ccc(C(=O)Nc2ccc([C@H]3c4ccsc4CCN3C(C)=O)cc2)cc1 19018106 OKYTZSMEGONRTD-QFIPXVFZSA-N 406.507 4.503 0 40 HJAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ncoc1-c1ccc(F)cc1 19341244 WLXKMFQZYFZMOF-UHFFFAOYSA-N 400.369 4.936 0 40 HJAB O=C(c1cccs1)N(Cc1cc(-c2ccccc2)cn2nnnc12)C1CCCCC1 19374011 UTVVEYWDKVIQNA-UHFFFAOYSA-N 417.538 4.828 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 19400520 KWMBVWIQXVVXSN-DYESRHJHSA-N 418.368 4.868 0 40 HJAB CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)C(C)C)C1 19447220 QHKWRDHRPLDLAA-DEOSSOPVSA-N 412.599 4.605 0 40 HJAB COc1ccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CCN(Cc4cccc(Cl)c4)C[C@H]23)cc1 19557712 WEVAJFXYIPHKCQ-WXFUMESZSA-N 424.972 4.575 0 40 HJAB Cc1cc(C)n(Cc2cc(C(=O)Nc3nc(C(C)C)cs3)c3ccccc3n2)n1 19716448 PQAQLZWJFVRIGG-UHFFFAOYSA-N 405.527 4.929 0 40 HJAB CC[C@H](NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 20049777 IDINGCGUHHTDTR-QHCPKHFHSA-N 422.550 4.534 0 40 HJAB O=C1/C(=C/NCCc2c[nH]c3ccccc23)c2ccccc2C(=O)N1c1ccccc1 20665196 YRXKJRTXYXEKAF-HAVVHWLPSA-N 407.473 4.528 0 40 HJAB CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 22460154 LLYIUPRXVAQFCM-AVRDEDQJSA-N 413.631 4.543 0 40 HJAB Cc1nc2ccc(NC(=O)c3cccc(F)c3)cc2c(=O)n1-c1ccc(Cl)cc1 22500108 FQTWHWMTTNPZDL-UHFFFAOYSA-N 407.832 4.739 0 40 HJAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc(Cl)cc1 23499464 XSBHIPIHJUUJKL-HTAPYJJXSA-N 406.913 4.559 0 40 HJAB Cc1sc2nc(CN3CCOCC3)nc(Sc3ccc(Cl)cc3)c2c1C 25266262 SLENSODPCREZIL-UHFFFAOYSA-N 405.976 4.945 0 40 HJAB CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1C 27793258 RIFXUEROGTXUJH-CYBMUJFWSA-N 401.850 4.503 0 40 HJAB Cc1sc2c(c1C)c1nc(-c3ccco3)nn1c(=O)n2Cc1ccccc1Cl 32072689 LFBXNQLWVPVQMB-UHFFFAOYSA-N 410.886 4.684 0 40 HJAB CCc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1 32622746 AVRBKXASRHTUNU-NRFANRHFSA-N 424.928 4.506 0 40 HJAB C[C@]1(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)Cc2ccccc2C(=O)O1 32675450 YMKFUYCWQMZJFL-AJTFRIOCSA-N 424.500 4.588 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NCCCO[C@H](C)c2ccccc2)c1 32907569 POBNUBPXAKUWIL-GOSISDBHSA-N 424.570 4.590 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccccc3F)n2)cc1 33012679 ZYPCOXRFRZSNCE-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB Cc1cccc(-n2c(C)nc3nc(N4c5ccccc5C[C@@H]4C)[nH]c(=O)c3c2=S)c1 40386925 OLOZEWXRHJQMQA-AWEZNQCLSA-N 415.522 4.538 0 40 HJAB COc1ccc(CNC(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1OC 42381148 FLKSUNOXNTUJLZ-UHFFFAOYSA-N 414.512 4.553 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875463 IRVTVNHUDOLJMC-JOCHJYFZSA-N 400.950 4.800 0 40 HJAB Cc1ccc(NC(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)c(OCc2ccccc2)c1 48262471 QHNVENLOLZWYSE-SZPZYZBQSA-N 424.541 4.766 0 40 HJAB Cc1cc(C)cc(C[C@@H](C(=O)O)[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 71405980 CSJXHFTXPSCDFE-RDTXWAMCSA-N 409.404 4.720 0 40 HJAB CCC1CCC(N(C(=O)Cn2c(C)csc2=O)[C@H](C)c2ccc(F)cc2)CC1 72288050 YDRQPRHUCGPOPO-ZRZPHAQCSA-N 404.551 4.916 0 40 HJAB Cc1cccnc1NC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 72401688 WWQWVQIVLYJPLE-OAQYLSRUSA-N 405.542 4.927 0 40 HJAB Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCc1nc(-c2ccccc2C)no1 84247698 KFDOJCHLWWCUQV-SFHVURJKSA-N 404.514 4.980 0 40 HJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 95481642 XMHRMSKBWYLULD-LLVKDONJSA-N 408.310 4.840 0 40 HJAB CN(CCSc1nnc(-c2ccc(Br)cc2)o1)Cc1ccc(F)cc1 97139612 RCYXEWCPJASVNR-UHFFFAOYSA-N 422.323 4.862 0 40 HJAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4ccccc4C)C3=C(O)C2)cc1OC 102656898 NZCIRJWRJSEJSZ-HJPURHCSSA-N 416.481 4.669 0 40 HJAB COc1ccc(-c2csc(C3=C(O)CN(c4ccccc4OC)C3=N)n2)cc1OC 102735115 VCCCOGAFHXVAAI-UHFFFAOYSA-N 423.494 4.602 0 40 HJAB COc1ccc([C@H]2CC3=Nc4nonc4N[C@@H](c4ccccc4OC)C3=C(O)C2)cc1 102738151 NLIBSMCBAQQREL-QKKBWIMNSA-N 418.453 4.716 0 40 HJAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 139042872 IYGWQRUHDDZCGT-UHFFFAOYSA-N 403.059 4.551 0 40 HJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OCC)cc1 222888027 OQBMUTVLFZCKAS-VXKWHMMOSA-N 406.555 4.654 0 40 HJAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1C 223506410 NASKVSWENMZJDZ-MRXNPFEDSA-N 418.584 4.609 0 40 HJAB Cc1ccccc1CN(C(=O)CCSc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 223759136 FNVKWFYNGGSYBM-FQEVSTJZSA-N 424.610 4.953 0 40 HJAB CCCOCc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1OCC 224709459 BWEPPRBKKAXASD-UHFFFAOYSA-N 416.949 4.628 0 40 HJAB COc1cccc(-c2cnc(CCC(=O)Nc3cccc(Br)c3)o2)c1 224845439 PKXABSKKKXODRI-UHFFFAOYSA-N 401.260 4.684 0 40 HJAB COC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224956915 CUGISEJEWXJCNE-ZDUSSCGKSA-N 415.287 4.536 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCc1ccccc1 225354601 KKOXZEYGTGYQQF-RUZDIDTESA-N 420.597 4.918 0 40 HJAB CCCOc1ccccc1CCCNC(=S)Nc1cc(C(=O)OCC)ccc1C 225625879 LWYJRXSHMDTLJR-UHFFFAOYSA-N 414.571 4.880 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 225641481 SWQQFEYUYFDFGC-PGRDOPGGSA-N 414.977 4.913 0 40 HJAB CC(C)c1ccc(C[C@]2(C)Cc3cc(CC(=O)NC4CCOCC4)ccc3O2)cc1 257206078 BBSWUFAWKCDRFR-AREMUKBSSA-N 407.554 4.584 0 40 HJAB Oc1cccc2c1OC1(CCN(Cc3ccc4ncccc4c3)CC1)[C@H]1CCCO[C@H]21 257241027 HWILCGWLUSLEPN-XUZZJYLKSA-N 416.521 4.835 0 40 HJAB C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)c2C(N)=O)C1 408576983 ZGDDHRWPARCTTG-TZIYXEQSSA-N 406.507 4.884 0 40 HJAB CCSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCCC3)cc2s1 408751226 XXKKHPZEDXJAFG-UHFFFAOYSA-N 411.552 4.897 0 40 HJAB CCN1C(=O)N/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)C1=O 409228371 XYVGHXRPJZTADL-DEDYPNTBSA-N 406.869 4.985 0 40 HJAB Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(S(C)(=O)=O)c1 1132698767 AFBIYMBERPMTBS-UHFFFAOYSA-N 416.502 4.866 0 40 HJAB CCOc1ccccc1NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 790578 VPJDEWYDOIKIRG-UHFFFAOYSA-N 415.445 4.876 0 40 HJAB C[C@H](OC(=O)/C=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 938192 MOQKWMXKJITZKT-QNCMIEPLSA-N 408.679 4.686 0 40 HJAB COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccccc4Cl)C3)n2)cc1 1362803 NHWMADDURKUQIG-OAHLLOKOSA-N 412.877 4.810 0 40 HJAB CCCNC(=O)c1nn2c(c1Cl)N[C@H](c1ccc(C)cc1)C[C@@H]2C(F)(F)F 2088270 BQHRKHFEYMCXRR-QWHCGFSZSA-N 400.832 4.645 0 40 HJAB CCOC(=O)c1ccc(Nc2cc(C)nc(Nc3ccc(C(=O)OCC)cc3)n2)cc1 2226435 XQABJHMTLNZEJT-UHFFFAOYSA-N 420.469 4.626 0 40 HJAB Cc1cc(C(=O)COC(=O)Cc2c(Cl)cccc2Cl)c(C)n1C[C@H]1CCCO1 2658876 DXKGFQOYDCBHNB-OAHLLOKOSA-N 424.324 4.559 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc(C)c1-c1ccccc1 2761551 SFCDLQGMQIBEKE-JKSUJKDBSA-N 415.511 4.730 0 40 HJAB COc1ccccc1C(=O)N[C@H](Nc1ccc(C)cc1C)C(Cl)(Cl)Cl 3014745 WQFDTJNZFNOAAM-KRWDZBQOSA-N 401.721 4.850 0 40 HJAB CCOc1ccc(C(=O)Cc2cc(OC)c(OC)cc2C(=O)c2ccccc2F)cc1 3190111 AIHFUDHZLCEOLC-UHFFFAOYSA-N 422.452 4.898 0 40 HJAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1OC 3401345 ZEXZVMIGYQSOBN-ZDUSSCGKSA-N 416.934 4.746 0 40 HJAB Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1Cc1cccs1 5100510 DPABTXZXPBXHFM-UHFFFAOYSA-N 414.490 4.634 0 40 HJAB Cc1cccc(NC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)Cc2cccs2)c1 5988545 LIJFEHJBQMTJBO-UHFFFAOYSA-N 404.495 4.527 0 40 HJAB O=S(=O)(NC[C@@H](Nc1ccccc1F)c1ccccc1)c1ccc(Cl)s1 6600116 RHICNKUSQAJTFC-MRXNPFEDSA-N 410.923 4.672 0 40 HJAB O=C(COC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C2CCCCC2)cc1 6610790 SLIVOQUHTYTWSL-UHFFFAOYSA-N 419.521 4.896 0 40 HJAB COCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccccc1C 6665390 MQEICIIHFWYBEU-UHFFFAOYSA-N 402.498 4.855 0 40 HJAB COc1ccc([C@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 6679028 VKGSVTBEPTZPKX-QVKFZJNVSA-N 423.538 4.670 0 40 HJAB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1 6943172 YBORCGVJNJDPPA-UHFFFAOYSA-N 411.816 4.506 0 40 HJAB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 8710579 GJTLXKGMMKEKIS-VXGBXAGGSA-N 424.328 4.638 0 40 HJAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 9135320 ZARCHZZAKCHQJX-UHFFFAOYSA-N 424.840 4.724 0 40 HJAB Cc1nc(SCC(=O)Nc2ccc(Br)cc2)[nH]c1-c1ccccc1 9190192 KSFIMAZOQWNYCZ-UHFFFAOYSA-N 402.317 4.878 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1 9468404 BTQRSTHUWCFMDE-HSZRJFAPSA-N 403.457 4.744 0 40 HJAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)N[C@@H](c1ccccc1)c1ccncc1 9868210 GOUPSBCRLSUYAV-SANMLTNESA-N 422.484 4.597 0 40 HJAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cc(C)cc(C)c1 11118887 LNOGJJMLCKOYFP-UHFFFAOYSA-N 420.534 4.680 0 40 HJAB Cc1ncc(-c2ccccn2)c(CN(Cc2ccccc2)C(=O)Cc2ccccc2C)n1 12089200 XEAZMJQPCBIGDK-UHFFFAOYSA-N 422.532 4.927 0 40 HJAB C[C@H](c1nnc(SCc2ccc(-n3cccn3)cc2)n1-c1ccc(F)cc1)N(C)C 12554095 JBTSNCMRXWYFBA-MRXNPFEDSA-N 422.533 4.507 0 40 HJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2cc(C)ccc2C)CC1=O 12627851 YIHYHRRMCDEGJJ-FQEVSTJZSA-N 405.542 4.848 0 40 HJAB COc1cc(C)c(CN(C)C(=O)/C=C/c2ccc(C)cc2Br)cc1OC 12782962 WVLGOXFJRAZGQB-CMDGGOBGSA-N 418.331 4.755 0 40 HJAB COC(=O)c1c(NC(=O)c2ccc(CN3CCCCC3)cc2)sc2c1CCCC2 12858281 NJHWSPRZIVAHFC-UHFFFAOYSA-N 412.555 4.652 0 40 HJAB O=C(CCc1nc2ccccc2s1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12911922 KEVZPIWGGALXSK-GOSISDBHSA-N 408.523 4.754 0 40 HJAB CC[C@@H](NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1)c1ccc(OC)cc1 12916037 CKWLZJSBRHJHHV-OAQYLSRUSA-N 420.538 4.739 0 40 HJAB FC(F)(F)c1nc(SCCCc2nc(-c3ccncc3)no2)c2ccccc2n1 13007365 GVDTVGHXIFHBAS-UHFFFAOYSA-N 417.416 4.819 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 13013826 XMLSMIJTZAQZBH-QZTJIDSGSA-N 410.514 4.506 0 40 HJAB Cc1csc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2ccsc2)n1 13227958 YFZYETVWUAXKQG-UHFFFAOYSA-N 408.508 4.978 0 40 HJAB O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)N1CCCc2ccccc21 14162079 YXFBJPXVDFXSRH-UHFFFAOYSA-N 419.337 4.850 0 40 HJAB CCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 17088153 NGJQWVPKBLRUTJ-HNNXBMFYSA-N 408.951 4.676 0 40 HJAB O=C(c1cccnc1)N1CCC(c2nc(-c3ccsc3)cc(C(F)(F)F)n2)CC1 19337412 USNAEDMEPHIGLE-UHFFFAOYSA-N 418.444 4.639 0 40 HJAB Cc1cc(-c2csc(NC(=O)CCCc3nc(-c4cccnc4)no3)n2)ccc1F 19570835 UAJRXXSRZXDWKH-UHFFFAOYSA-N 423.473 4.664 0 40 HJAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](c4ccc(Cc5ccccc5)cn4)C3)c2c1 19690227 JJTWHFGKECGTET-OAQYLSRUSA-N 410.521 4.877 0 40 HJAB Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)c3cccc4cccnc34)CC2)n1 19692149 GOHDFKSXLDAOAF-UHFFFAOYSA-N 423.520 4.602 0 40 HJAB O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCO[C@H](c2ccccc2)C1 23896955 HBIJNZCFZABXSR-VWLOTQADSA-N 423.516 4.812 0 40 HJAB COc1ccc(Cn2nccc2NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 28293639 BQEPVVYFDNIURP-MRXNPFEDSA-N 413.905 4.616 0 40 HJAB Cc1ccccc1C(=O)Nc1cc(Br)n(Cc2ccc(Cl)cc2)n1 32604205 YTJUIDOROYSWJC-UHFFFAOYSA-N 404.695 4.908 0 40 HJAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)N3CCCCC3)no2)cc1C 32623333 UWBYWRGTXOHWRC-FQEVSTJZSA-N 409.555 4.977 0 40 HJAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)c1 32904615 YPQWEICZJLLEMR-UHFFFAOYSA-N 406.463 4.724 0 40 HJAB COc1ccc2cc(-c3nc4ccc(C)cn4c3NCc3ccccc3)c(=O)[nH]c2c1 35312112 VWCURDVNEPYEJA-UHFFFAOYSA-N 410.477 4.772 0 40 HJAB CCc1ccc([C@H](C)NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 40141101 IBBFUKSBIGHDNC-SFHVURJKSA-N 407.535 4.714 0 40 HJAB CN(Cc1ccc(O)cc1)C(=O)c1cccnc1Oc1cccc(Br)c1 52963824 DDDKQPZKNYUICZ-UHFFFAOYSA-N 413.271 4.614 0 40 HJAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(F)c(F)c1 57486714 NZGDILBFYITMSV-UHFFFAOYSA-N 414.799 4.775 0 40 HJAB CCCCc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(CC)cc2=O)cc1 57508833 GNHOUIQCKPOJRR-UHFFFAOYSA-N 407.489 4.593 0 40 HJAB O=C1C[C@H](c2ccccc2)N(C(=O)/C=C/c2ccc(-c3ccccc3)s2)CCN1 65520905 LYRDBTKQHLOZKH-ZISLFAKRSA-N 402.519 4.518 0 40 HJAB O=C(c1ccoc1)N1CCC(Nc2ncnc3sc(-c4ccccc4)cc23)CC1 69946325 ZLOLQCILYOCZLL-UHFFFAOYSA-N 404.495 4.668 0 40 HJAB COc1ccccc1CCC(=O)N1CCC[C@@H]1c1cccc(Nc2cccc(C)n2)n1 72375258 BEXHHPZNMIWDGB-OAQYLSRUSA-N 416.525 4.834 0 40 HJAB CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cn1 79046148 LRWFJSWGAMIQHI-HXUWFJFHSA-N 408.477 4.765 0 40 HJAB Nc1c(Cl)cc(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1Cl 84514962 SCFOUCHMONSFTB-UHFFFAOYSA-N 422.703 4.939 0 40 HJAB Cc1cc2ncn(C[C@H](O)CSc3ncc(C(F)(F)F)cc3Cl)c2cc1C 89609019 QAUQJMXQVDGAEI-ZDUSSCGKSA-N 415.868 4.874 0 40 HJAB CCCN(CC(=O)Nc1ccccc1OC)Cc1cnoc1-c1ccc(Cl)cc1 89958959 MHUMNKBNFNQVHK-UHFFFAOYSA-N 413.905 4.854 0 40 HJAB Cc1cc(C)nc(SCc2ccc(C(=O)N3CCC(c4ccccc4)CC3)o2)n1 95475254 LSOQNPGYOAXXFG-UHFFFAOYSA-N 407.539 4.999 0 40 HJAB Cc1ccc(NC(=O)[C@@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)c(F)c1 96037514 NOJJOFMYYYTJRV-QHCPKHFHSA-N 406.505 4.650 0 40 HJAB COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)/C2=C/Nc1ccc(C)cc1 103265888 CROUJQJPWAWWKT-RCCKNPSSSA-N 414.461 4.652 0 40 HJAB O=c1nc2n(c3sc4c(c13)CCCC4)Cc1ccccc1/C2=C\c1ccccc1O 103597165 MTTCWVMHBLUWKK-CPNJWEJPSA-N 412.514 4.993 0 40 HJAB Cc1ccccc1CSCCNC(=O)[C@@H](C)Oc1ccc(Br)cc1 219676852 IWQRZJISTRRIAM-OAHLLOKOSA-N 408.361 4.574 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 222950139 FRCFISKBRWKBBL-HXUWFJFHSA-N 412.599 4.811 0 40 HJAB O=C(CSCc1ccc(Cl)cc1F)N1CCN(C/C=C/c2ccccc2)CC1 224336859 XQDJTLHKEYEPEZ-QPJJXVBHSA-N 418.965 4.570 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C 224774926 MQJABNYQGMGEEV-HXUWFJFHSA-N 424.585 4.615 0 40 HJAB O=C(NCCCN1CCCc2ccccc21)c1cc(Br)ccc1Cl 225075334 LBTWOOVWRYTYSK-UHFFFAOYSA-N 407.739 4.675 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=S)NCCSc2ccc(Cl)cc2)c1 225288564 LCNNONRJRJRLDU-UHFFFAOYSA-N 408.976 4.904 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 225613769 IDAWRZHVKMGOAC-AVRDEDQJSA-N 414.977 4.913 0 40 HJAB Cc1cc(N2CCCCCC2)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 225919331 HCRSPCVXUVSNTR-UHFFFAOYSA-N 421.570 4.912 0 40 HJAB FC(F)(F)c1ccc(N2CCOCC2)c(NCc2ccc(Br)cc2)c1 226240700 JROXAILPFBRQQW-UHFFFAOYSA-N 415.253 4.917 0 40 HJAB CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 257252374 JUPDJHYLXADPKM-RXVVDRJESA-N 424.610 4.749 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCC[C@H](C)C1 260812496 DFNLXPQWIMXCRU-MZLICYQSSA-N 402.579 4.864 0 40 HJAB COC(=O)c1ccc(C(=O)O)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 263618543 UGXXOOGWHTUDBX-UHFFFAOYSA-N 417.417 4.532 0 40 HJAB Cc1cc(C)nc(SCC(=O)Nc2ccc(Br)c3ccccc23)n1 408543311 OUAIMVFSIFQLBI-UHFFFAOYSA-N 402.317 4.740 0 40 HJAB Cc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c(C)c1 408736525 CEWSOLZLFLTIHD-NQIIRXRSSA-N 412.530 4.741 0 40 HJAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@H](c1ccsc1)n1cccc1)CC3 524731692 HOTCFGVPCBIQBZ-JOCHJYFZSA-N 405.523 4.604 0 40 HJAB biogenic Cc1ncc(CN2CC[C@@]23CCCN(C(=O)c2cc(C(C)(C)C)oc2C)C3)s1 585101778 FWUVXALBBFDCBU-JOCHJYFZSA-N 401.576 4.531 0 40 HJAB CCOC(=O)[C@H]1C(c2cccs2)=CS[C@@H]1NC(=O)CSc1ccc(C)cc1 1465493 XPDNGMJBUVLLSK-OALUTQOASA-N 419.593 4.558 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc3ccccc3c2)c1 3270325 OAHUMHXXJYCASA-UHFFFAOYSA-N 417.914 4.743 0 40 HJAB O=c1c2ccccc2nc(SC[C@H]2CCCCO2)n1Cc1ccc(Cl)cc1 3298588 XWGFZGNJGZINCC-QGZVFWFLSA-N 400.931 4.759 0 40 HJAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1cccs1 3501023 MWBVNRRAAYVRGZ-UHFFFAOYSA-N 421.503 4.700 0 40 HJAB CCN(CC)CCN(C(=O)c1cc(C)ccc1C)c1nc2c(OC)cccc2s1 4359470 HVLALCWVIVJVIN-UHFFFAOYSA-N 411.571 4.910 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nn(-c3ccccc3)c(=S)s2)c1 4892693 RTBKBTNBLXFESA-ZDUSSCGKSA-N 415.565 4.985 0 40 HJAB Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1-c1ccc(F)cc1 5100290 CSOCQEVJXRMPFX-UHFFFAOYSA-N 404.445 4.785 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)c2cccc(F)c2)c1 5259023 PYVPWGUNPQNMHM-UHFFFAOYSA-N 407.832 4.739 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2Cl)NC(=O)N1 5943856 CUEFCVWNOSHKHW-MRXNPFEDSA-N 409.795 4.625 0 40 HJAB CCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 6352240 ZDMPTOSUPFWZOA-HNNXBMFYSA-N 408.951 4.676 0 40 HJAB Cc1ccc(-c2nc(C(=O)NCCCn3ccnc3)cc3c2[nH]c2ccccc23)cc1 6908822 VGYLLXBTWFXZFN-UHFFFAOYSA-N 409.493 4.708 0 40 HJAB biogenic CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 6938354 OVRXRWUQTRJRMY-MRXNPFEDSA-N 402.922 4.708 0 40 HJAB CCOc1ccc(C[C@H]2SC(=O)N(c3ccccc3Cl)C2=O)cc1OCC 6964428 QJMJBYIMBMYKJP-GOSISDBHSA-N 405.903 4.949 0 40 HJAB Cc1cc(C)cc(N2C(=O)CS[C@]23C(=O)N(Cc2ccccc2)c2ccccc23)c1 6997018 WFQIPEZWGVYKFF-RUZDIDTESA-N 414.530 4.783 0 40 HJAB CNc1nnc(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)s1 7103504 NAFMTPOVKWSOQL-HNNXBMFYSA-N 414.581 4.552 0 40 HJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc2c(c1)CCCC2 7524294 QRTDAMHPJCKDPA-UHFFFAOYSA-N 405.325 4.512 0 40 HJAB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccccc1I 8156554 FDMGEZMQPZYHQV-UHFFFAOYSA-N 407.034 4.955 0 40 HJAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Br)cc1 8266796 YZFCQTOUONZNPL-UHFFFAOYSA-N 419.363 4.500 0 40 HJAB Cc1ccc(-c2nnc(CCC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)o2)cc1 8393410 VAKKUXFNHOHREY-UHFFFAOYSA-N 405.454 4.658 0 40 HJAB O=C1c2ccccc2C(=O)N1CC(=O)N(c1ccccc1)c1ccc2ccccc2c1 8434685 IJIMDPPHEAZHQJ-UHFFFAOYSA-N 406.441 4.801 0 40 HJAB CCc1ccc(-c2nnc(SCC(=O)N(CC)Cc3ccc(Cl)s3)[nH]2)cc1 8754410 YVIMTVWHIPOZAJ-UHFFFAOYSA-N 420.991 4.890 0 40 HJAB O=C(NCCSC1CCCCC1)C1CCN(Cc2c(F)cccc2Cl)CC1 9063687 GQDFHIFHLBLYTQ-UHFFFAOYSA-N 413.002 4.873 0 40 HJAB COc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)cc1 9135322 NACSQJCOFLQNTF-UHFFFAOYSA-N 424.840 4.724 0 40 HJAB O=C(Nc1nc2c(Cl)cc(Cl)cc2s1)c1cccc(N2C(=O)CCC2=O)c1 9599507 PHRMGQSIYWKEBZ-UHFFFAOYSA-N 420.277 4.509 0 40 HJAB O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc(NC(=O)c2ccco2)c1 11180060 ZYQQIDMMDYVKDZ-UHFFFAOYSA-N 403.463 4.837 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 11461338 NLEJYOYJGHVKTO-UHFFFAOYSA-N 421.806 4.983 0 40 HJAB CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(Cl)c(Cl)c4)ccc1c23 11691598 TUVWJBSDCCXMKP-UHFFFAOYSA-N 407.278 4.537 0 40 HJAB Cc1ccc2c(C)c(CCC(=O)Nc3cccc(Br)c3)c(=O)oc2c1 12777179 CZGBYRRDQIYYKN-UHFFFAOYSA-N 400.272 4.744 0 40 HJAB Cc1nc(-c2ccc(CCNC(=O)c3ccccc3Br)s2)cs1 12852889 FTYBYRSOHQJTFI-UHFFFAOYSA-N 407.358 4.915 0 40 HJAB O=C(Cc1ccccc1)Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2 13945510 DHAHGLBGAIJOCO-UHFFFAOYSA-N 407.853 4.523 0 40 HJAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3Oc3ccccc3)CC2=O)cc1 15963611 SEDPEKVMMLSRQJ-FQEVSTJZSA-N 400.478 4.775 0 40 HJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCC(c4ccccc4)=N3)c2n1 16210020 WPMZPUGYBMPCSN-UHFFFAOYSA-N 414.292 4.865 0 40 HJAB Cc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nn2)s1 16991868 ANWDHKSLJUDPCD-UHFFFAOYSA-N 424.473 4.967 0 40 HJAB Cc1cc2ccccc2n1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19890448 LYRGRTOVWHHHQK-UHFFFAOYSA-N 423.560 4.884 0 40 HJAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(F)c2)c1 21577254 MJZXWVNNSHKDPR-UHFFFAOYSA-N 415.534 4.732 0 40 HJAB CCOc1cc(CN(CC(=O)Nc2cccc(C)c2C)C2CC2)ccc1OC(F)F 21584980 ZJRTWQKHTZEXRD-UHFFFAOYSA-N 418.484 4.907 0 40 HJAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Oc1ccc(F)c2c1C(=O)C[C@@H]2C 24222267 OLWGLUQROPMFCU-ZDUSSCGKSA-N 423.488 4.996 0 40 HJAB CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1 27121570 RXMFZTKGFUWIGM-AWNIVKPZSA-N 403.507 4.984 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)cc1 27921229 LXHQFKNXNWLCRW-UHFFFAOYSA-N 414.303 4.733 0 40 HJAB CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)[C@@H]1CCc2ccccc21 29487966 BRTFDXWYCOLUQG-HSZRJFAPSA-N 417.484 4.636 0 40 HJAB COc1cc(CN[C@H](C)c2ccc(-n3ccnc3)cc2)ccc1OCc1ccncc1 30544941 UKSHRYSFBSVDPZ-LJQANCHMSA-N 414.509 4.706 0 40 HJAB CCN(Cc1ccc(Br)s1)C(=O)c1cc(Cl)c2c(c1)OCCO2 32721782 RAZALFVRGRXVGY-UHFFFAOYSA-N 416.724 4.598 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cnn(-c3ccccc3)c2C(C)C)c(C)c1 32779831 PCMHRSZQDDJMDD-UHFFFAOYSA-N 418.541 4.632 0 40 HJAB CC[C@H]1CCc2sc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCC3)cc2C1 32960845 SOWKVQZIOZWAFE-UWJYYQICSA-N 412.599 4.839 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(Br)c(Cl)c1 33735441 DERUJIBIVHUCBE-UHFFFAOYSA-N 424.707 4.883 0 40 HJAB CCc1ccc(N2C(=O)/C(=C/c3ccccc3Br)C(O)=NC2=S)cc1 35225161 DZSNBHPNRMSQNR-RVDMUPIBSA-N 415.312 4.683 0 40 HJAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(C(F)(F)F)c2)cc1O 36360243 QZXQNJWNEMPRTM-CQSZACIVSA-N 403.360 4.729 0 40 HJAB Cn1c(C2CCC(CNC(=O)c3ccc(Br)o3)CC2)nc2ccccc21 38671780 BJUMXKAQLMSSRH-UHFFFAOYSA-N 416.319 4.633 0 40 HJAB O=C(NCc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1)c1cccs1 40131331 BBTBYLVNTXBWSA-UHFFFAOYSA-N 408.498 4.622 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H](C)c1ccccc1OC(F)F 40133049 QSAAERTXDKIPCK-ZDUSSCGKSA-N 417.431 4.650 0 40 HJAB CC(C)[C@@H](NC(=O)c1ccc(COc2ccc3c(c2)CCC(=O)N3)o1)c1cccs1 40145173 AAVJMISFESYLMZ-JOCHJYFZSA-N 424.522 4.932 0 40 HJAB O=c1[nH]c(/C=C/c2cccc(Cl)c2Cl)nc2c1CN(Cc1ccccc1)CC2 40146053 WGVYHENUJUIAJB-MDZDMXLPSA-N 412.320 4.805 0 40 HJAB CCCOc1ccccc1CCCNC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 44851577 STOZYGMIZDUBAA-QFIPXVFZSA-N 412.549 4.576 0 40 HJAB CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(OC)c(C)c1OC)NC2 55028113 ZZIFCXXKAJOHTN-DEOSSOPVSA-N 422.525 4.793 0 40 HJAB O=C(Nc1ccccc1F)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58007140 MUYYDSKXFQPNAX-UHFFFAOYSA-N 400.404 4.906 0 40 HJAB CN1CCN(C(=O)c2ccc3oc(-c4cc(Cl)cc(Cl)c4Cl)nc3c2)CC1 59843036 DHWBLALNHXHZFK-UHFFFAOYSA-N 424.715 4.843 0 40 HJAB Cc1[nH]c2ccc(C(=O)N3CCO[C@@H](c4ccc(Br)cc4)C3)cc2c1C 62513664 JKVJVURMJFCZHZ-HXUWFJFHSA-N 413.315 4.761 0 40 HJAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)c(Cl)c1 71980470 CQUYXUUYOXCIRX-FOCKTWCOSA-N 414.329 4.852 0 40 HJAB Cc1noc(C)c1CC(=O)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 72350231 KTESIZAFLPRQFZ-UHFFFAOYSA-N 423.944 4.879 0 40 HJAB COC(=O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2F)o1 73638292 VGDDAGBAQWAMQB-HWKANZROSA-N 404.029 4.797 0 40 HJAB O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1nc2cc3c(cc2s1)OCCO3 84522299 LXYPXQGERSIWAW-LBPRGKRZSA-N 408.401 4.742 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C(=O)c2ccco2)s1 96119799 HDKQSHHDNCNPMO-UHFFFAOYSA-N 403.887 4.699 0 40 HJAB Cc1cc(F)ccc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 98073054 VGWHWELEPAWCMT-UHFFFAOYSA-N 412.202 4.716 0 40 HJAB O=C1C[C@@H](SCc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 100311718 HONFGKFGALOECJ-OAHLLOKOSA-N 410.720 4.668 0 40 HJAB COc1ccc(-c2csc(C3=C(O)CN(Cc4cccc(OC)c4)C3=N)n2)cc1 102717507 KXPZPPZNRNBRRZ-UHFFFAOYSA-N 407.495 4.589 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219324811 QOCZMFBEICVLEC-MOPGFXCFSA-N 403.906 4.925 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc(Br)cc1 219689246 JKNCIYPTYHJKSU-KBXCAEBGSA-N 418.331 4.943 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 222414816 RKFQUFNXEYTSCL-QFIPXVFZSA-N 412.599 4.809 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)cc1 222705029 GPCADUMYOVHZJS-HXUWFJFHSA-N 408.586 4.822 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 222935115 PQBRQQSMBKGQEI-DEOSSOPVSA-N 424.585 4.563 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 223177758 HAVBZHMYFUFCQB-HXUWFJFHSA-N 400.950 4.605 0 40 HJAB COc1ccccc1OCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 224380891 HDUDGSJUAHJHJK-UHFFFAOYSA-N 423.534 4.675 0 40 HJAB CCCC[C@H](CC)CNC(=O)CCCN(c1ccc(C(C)C)cc1)S(C)(=O)=O 224664548 SBRVZAZHGKUPSU-IBGZPJMESA-N 410.624 4.689 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 224695464 MDIMDYHZQSEZMC-FQEVSTJZSA-N 412.599 4.562 0 40 HJAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(OC)cc1 224968601 MNQDDOUNAJLSFI-YVUGPFRESA-N 420.534 4.795 0 40 HJAB O=C(COc1ccc(Cl)cc1Br)NCc1cccc(C(F)(F)F)c1 225120339 GIGGEKYHADXRDI-UHFFFAOYSA-N 422.628 4.817 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)CCc3c(Cl)cccc3Cl)n2)cc1 225364357 BDTPRTHCYDPDGI-UHFFFAOYSA-N 404.297 4.943 0 40 HJAB COc1cc(C)c(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1C(C)C 225664398 LTAJANNGZMZIHN-UHFFFAOYSA-N 417.509 4.704 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccccc3C(=O)Nc3cc(Cl)ccc3C)C(=O)[C@@H]21 408673983 WRNDAJBHJKNXMD-QUUBWDHISA-N 420.896 4.602 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)n2C)cc1 409157348 MMVKNZCZGKROCU-UHFFFAOYSA-N 424.570 4.865 0 40 HJAB Brc1cccc(N2CC[C@H](CN[C@@H]3CCCNc4ccccc43)C2)c1 576622724 SFGATJSDQCHCSA-IIBYNOLFSA-N 400.364 4.812 0 40 HJAB COc1ccc(-c2nn3c(CSCc4ccccc4)nnc3s2)cc1Cl 1501039865 BXRIZPKCJGCHDJ-UHFFFAOYSA-N 402.932 4.948 0 40 HJAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)cc2Cl)c1 664292 ABUOTYBSIYBELS-UHFFFAOYSA-N 407.326 4.922 0 40 HJAB Cc1ccc(-n2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)cc1C 950031 JMJZIPUHORJYNN-UHFFFAOYSA-N 421.504 4.703 0 40 HJAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 1012822 UTRYIIFWLLCCNW-DQPIFXJKSA-N 410.495 4.539 0 40 HJAB Cc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 2439352 HCDUEGNDMGVINM-IBGZPJMESA-N 402.475 4.925 0 40 HJAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1 2704383 MHGSMQFZJPEHRF-GOSISDBHSA-N 417.490 4.826 0 40 HJAB COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2[C@@H](C)c2ccccc2)o1 3306184 OPABRZFBIVHOBS-HNNXBMFYSA-N 420.490 4.678 0 40 HJAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(Br)ccc1Cl 3419912 WNWUTOBDSQXBHH-INIZCTEOSA-N 411.727 4.653 0 40 HJAB O=C1/C(=C/c2ccccc2OCc2ccccc2F)NC(=S)N1C1CCCCC1 3667623 FXCWTAIBSRFDSD-ZHZULCJRSA-N 410.514 4.795 0 40 HJAB Cn1c(=O)c(C2=NO[C@H](c3ccccc3)C2)c(OC(=O)c2ccccc2)c2ccccc21 3846519 UXWXAMTYWQBCCX-QFIPXVFZSA-N 424.456 4.623 0 40 HJAB biogenic CC(C)Cn1c([C@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21 4033380 CXROERRRNBFSKY-HNNXBMFYSA-N 412.331 4.975 0 40 HJAB CSc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1 4723428 FOTLNSXJWNQNAE-HXUWFJFHSA-N 405.527 4.544 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)n3ncnc3N2C(=O)C(C)(C)C)cc1 4732744 SGMNSAQZYXENFC-RTWAWAEBSA-N 404.514 4.709 0 40 HJAB CCc1ccc(C(=O)Nc2cccn(Cc3cccc(C(F)(F)F)c3)c2=O)cc1 5000927 FHWJMRIUARBWCL-UHFFFAOYSA-N 400.400 4.730 0 40 HJAB COc1cc(Br)cc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1cc(C)cc(C)c1 5043074 ZLWABCRWWWBVAL-OXQOHEQNSA-N 417.303 4.844 0 40 HJAB CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)c1 5243684 FETSXAGJDYHSBL-NRFANRHFSA-N 416.433 4.628 0 40 HJAB Cc1ccc2nc(NC(=O)c3cccn(Cc4ccccc4Cl)c3=O)sc2c1 5269945 WQMGOALUTQGCPL-UHFFFAOYSA-N 409.898 4.720 0 40 HJAB COc1ccc(-c2csc(N3N=C4CC[C@H](C)C[C@H]4[C@@]3(O)C(F)(F)F)n2)cc1 5275000 NXFZJPXBYCSWAD-UCMVZMLTSA-N 411.449 4.682 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(Nc3ccccc3F)s2)c1 6051642 KERRFUJIAVLQHR-GFCCVEGCSA-N 416.503 4.743 0 40 HJAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(Br)ccc1Cl 6552775 IVFLUJDMHUPHBP-UHFFFAOYSA-N 410.695 4.536 0 40 HJAB O=c1oc2ccccc2c(O)c1[C@@H]1c2ccccc2Oc2c1c(=O)oc1ccccc21 6576216 OALUGYLIPAUKCN-IBGZPJMESA-N 410.381 4.891 0 40 HJAB Cc1ccccc1C(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3o2)c1 6614612 WUWWNNFCAYSFRH-UHFFFAOYSA-N 417.490 4.944 0 40 HJAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)c(OC)c1OC 7883997 WTNJBFRZTCELLG-XMMPIXPASA-N 418.493 4.788 0 40 HJAB C[C@@H](c1nnc(SCCOc2cccc(Cl)c2)n1-c1ccc(F)cc1)N(C)C 8192806 OXGBVWKQDVGPGQ-AWEZNQCLSA-N 420.941 4.854 0 40 HJAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)C(=O)c1nc(Cl)ccc1Cl 8747925 AOVHQGKXCBKHDE-MRXNPFEDSA-N 415.704 4.808 0 40 HJAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1cccc(C(F)(F)F)c1 9036374 DOARZWQOVUCVPM-UHFFFAOYSA-N 414.383 4.749 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccccc4)o3)c2)s1 9062119 JWJOURPRCDYQBT-UHFFFAOYSA-N 404.451 4.611 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl 9664019 TZCGQEFVDXLWBS-UHFFFAOYSA-N 421.353 4.926 0 40 HJAB COc1ccc(-c2csc(NC(=O)Cc3ccc(SC)cc3)n2)c(OC)c1 10252314 BGBNZVNBPWTXPW-UHFFFAOYSA-N 400.525 4.730 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1NS(=O)(=O)c1ccccc1 10314993 RZGBGMCFGWZDPG-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1Oc1ccccc1 11261244 LEHBIGGCAKXLIE-KRWDZBQOSA-N 401.466 4.655 0 40 HJAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n12 11907890 SENMFBRILLGBJG-UHFFFAOYSA-N 419.554 4.605 0 40 HJAB COCCNc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)cs1 12327264 INIQAPDHPKFPBS-UHFFFAOYSA-N 411.502 4.601 0 40 HJAB CCc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc(OC)cc2)n2ccccc12 12342110 NRROFWSZXOTPCE-UHFFFAOYSA-N 413.477 4.576 0 40 HJAB CCc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)s1 12361437 AYNCOPLVGBQXBT-IBGZPJMESA-N 406.960 4.559 0 40 HJAB CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cc3ccccc3o2)s1 12442946 PKWPVIOEFBZQPY-UHFFFAOYSA-N 423.519 4.647 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)o2)c1 12674749 RQDDQFJTFZEMPY-UHFFFAOYSA-N 419.300 4.695 0 40 HJAB CCOc1cc(/C=C/C(=O)Nc2ccccc2N2CCOCC2)ccc1OCC(C)C 13041815 RGRZQWISAWNOMW-ZRDIBKRKSA-N 424.541 4.609 0 40 HJAB C[C@H]1CN(Cc2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)C[C@@H](C)O1 14121682 VUUVJLSLMQWFSD-HDICACEKSA-N 421.566 4.523 0 40 HJAB C[C@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 17962774 ZLHAPDIWSZBVPP-ZDUSSCGKSA-N 401.293 4.754 0 40 HJAB CCC(CC)C(=O)N1CC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1 19500083 AHEPKKKOCQKSNM-HYVNUMGLSA-N 414.516 4.969 0 40 HJAB CCOCc1cc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)ccc1OC 19531173 TXYUFFLDHWZDGK-UHFFFAOYSA-N 411.477 4.661 0 40 HJAB CC1=C(C(=O)OC(C)(C)C)C(c2ccccc2F)C(C(=O)OC(C)(C)C)=C(C)N1 19594035 RQSTTWCDOBMVAL-UHFFFAOYSA-N 403.494 4.744 0 40 HJAB COc1cccc(Cn2cc(NC(=O)c3sc(-c4ccccc4F)nc3C)cn2)c1 19714433 BDUJZISMGDQFFZ-UHFFFAOYSA-N 422.485 4.763 0 40 HJAB COCCN1CC=CCC2(CCN(Cc3cccc(-c4ccc(F)cc4)c3)CC2)C1=O 19742620 MNUBJXILQJDVFM-UHFFFAOYSA-N 422.544 4.510 0 40 HJAB CC(C)Nc1n[nH]c2nc(C3CCN(C(=O)C4CCCC4)CC3)cc(C(F)(F)F)c12 19745137 FMIMOPHZRNZPCS-UHFFFAOYSA-N 423.483 4.693 0 40 HJAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(Br)c2)cc1Cl 20030013 UKEHALRTLPBKRH-NSHDSACASA-N 418.740 4.541 0 40 HJAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@@H](C)c1ccc(Br)cc1 20030028 RDDYTFOVLDKZFO-ZDUSSCGKSA-N 412.349 4.621 0 40 HJAB CC(=O)Nc1sc2c(c1[C@@H](c1cccc(Cl)c1)N1CCOCC1)CCCC2 20192276 RVDJYFTVOXHBBB-HXUWFJFHSA-N 404.963 4.660 0 40 HJAB CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccc(Cl)c1)C3 20796382 ULOQCEZEGILMCG-AWEZNQCLSA-N 400.935 4.829 0 40 HJAB CCCN(CC(=O)N[C@@H](C)c1cc2ccccc2o1)Cc1nnc(-c2cccs2)o1 21582630 VHHPAMAYJRZALY-HNNXBMFYSA-N 424.526 4.634 0 40 HJAB COc1ccc(-c2noc(-c3cccc(NC(=O)COc4ccc(C)cc4)c3)n2)cc1 21792303 PVFHGXLTPJHQHU-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB CCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 22509340 GZTQKHFJTSSDFT-UHFFFAOYSA-N 418.565 4.913 0 40 HJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 22515519 FQORABZEEZTDNU-LJQANCHMSA-N 400.950 4.690 0 40 HJAB C[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)N1CCOCC1 25329189 BIFGJZQFTVKJMP-KUHUBIRLSA-N 424.397 4.742 0 40 HJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C 27389784 NCYLADFAOICENC-AWEZNQCLSA-N 410.905 4.615 0 40 HJAB O=C(Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc(F)cc1F 27739230 UTSLDEATFDMJJZ-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB CC(=O)Nc1ccc(NC(=O)C2(c3cccc(Br)c3)CCCC2)cc1 29106863 HWHKAFSQWNRMHY-UHFFFAOYSA-N 401.304 4.858 0 40 HJAB Cc1ccc(NC(=O)CSCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 32779146 IQVJWVZPXNFHSK-UHFFFAOYSA-N 407.417 4.936 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 33088692 SFJUBRDLWVHPOK-UHFFFAOYSA-N 420.534 4.869 0 40 HJAB CC[C@H](C(=O)Nc1cc(C)ccc1C)n1ccc(C(=O)Nc2cc(C)ccc2C)n1 36617884 BVNMIJSAIIXLEG-JOCHJYFZSA-N 404.514 4.959 0 40 HJAB Cc1nc2ccc(NC(=O)[C@@H](NC(=O)c3cccs3)c3ccccc3)cc2s1 36697062 DPFMAZBEPGQMSJ-IBGZPJMESA-N 407.520 4.776 0 40 HJAB CSc1cccc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)c1 38651745 SIMLMDYAVIAQIO-UHFFFAOYSA-N 421.547 4.794 0 40 HJAB CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccccc2Cl)C1 44803609 XJJCCNNWXHTCQE-HNNXBMFYSA-N 410.905 4.537 0 40 HJAB CC(C)CCn1c(SCC(=O)NCCC2=CCCCC2)nc2ccsc2c1=O 57478567 RUCKNOBCWSHOLP-UHFFFAOYSA-N 419.616 4.603 0 40 HJAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1ccc(F)c(F)c1 57487263 WTCRKOAWLYQAFR-UHFFFAOYSA-N 414.799 4.775 0 40 HJAB O=C1CCN([C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CC1 58146093 TZFHUSUPZICINQ-GOSISDBHSA-N 410.823 4.704 0 40 HJAB Cc1cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)ccc1F 67293055 JKPDEBXZQXPPJM-LYYOGKFUSA-N 414.864 4.675 0 40 HJAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(Cc4ccccc4)CC3)C1)c1cccn1-2 72327201 XMVCQKULBDXKHK-SANMLTNESA-N 415.537 4.562 0 40 HJAB C[C@@H](C(=O)Nc1nc(-c2cccnc2)cs1)c1ccc(C[C@H]2CCCC2=O)cc1 95476392 CUIGGZNWFHRQSI-CRAIPNDOSA-N 405.523 4.859 0 40 HJAB CCCN1C(=O)[C@H](Cc2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc21 101413252 RDUJLBBOACAECX-JOCHJYFZSA-N 423.516 4.528 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1C 103716703 LVSRJZBQTTWSBU-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB COc1cc(Cl)c(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC 108099074 ZJPSNAPGODXTPC-AFUMVMLFSA-N 419.868 4.616 0 40 HJAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)C[C@H](O)C(F)(F)F)CC[C@@H]12 118915662 JVSPILBDVWXPBS-MQJSLWGGSA-N 416.524 4.889 0 40 HJAB in-vitro COc1cccc(-c2ccc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)cc2)c1 211108996 PNSLWNRLXIIQKL-UHFFFAOYSA-N 413.473 4.664 0 40 HJAB O=C(COc1ccc(Br)cc1Cl)NCCCc1ccc(Cl)cc1 218944836 SEKXTSAVHPDSRX-UHFFFAOYSA-N 417.130 4.884 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 222532471 YOYKJTUHOMXPDT-UHFFFAOYSA-N 422.550 4.889 0 40 HJAB Cc1cc(O[C@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1Cl 222844788 BICHPIQKTMMHEO-MRXNPFEDSA-N 407.341 4.726 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CC1 223848778 ISLPWRSRCXSKHT-YADHBBJMSA-N 404.539 4.718 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3cccc(C)c3)ccc2C)cc1 224304532 IGZAAUFLLVDARH-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB COc1ccc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 224381202 VMOSPLSNXZVKBS-UHFFFAOYSA-N 423.534 4.675 0 40 HJAB CCOc1ccc(CCC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1OCC 224489487 JRQFCVGTZZICFA-UHFFFAOYSA-N 411.527 4.882 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 224592050 JHMSKNZPZFWDIJ-JOCHJYFZSA-N 414.977 4.771 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 224813399 WJQKNQSKRMWMFQ-QGZVFWFLSA-N 418.990 4.684 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 225129075 VFRBOMPUEVPJQK-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB COCCNC(=O)c1cc(N)ccc1Nc1cc(Cl)ccc1Oc1ccccc1 225494678 DISBQKHUOPACJP-UHFFFAOYSA-N 411.889 4.834 0 40 HJAB O=C(c1ccccc1Cn1ccnc1)N1CCC[C@H](Cc2cccc3cccnc23)CC1 257318978 VQEKUBTTWGFLQP-NRFANRHFSA-N 424.548 4.965 0 40 HJAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 408545709 MULOYOSJCMZCPL-LFIBNONCSA-N 406.507 4.756 0 40 HJAB Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc1C 408736704 FUXJCJAVWOEWCD-QFIPXVFZSA-N 407.514 4.717 0 40 HJAB CCCCN1C(=O)S/C(=C\c2cc(Br)c(OCC)c(OC)c2)C1=O 409061779 HYFNZMZULKGBPX-UVTDQMKNSA-N 414.321 4.693 0 40 HJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)cc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409097542 OCRKKJGLKSIYKH-IAISJRAMSA-N 402.844 4.865 0 40 HJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1C 409106044 LTCUAVQHNOKXFY-UHFFFAOYSA-N 420.460 4.942 0 40 HJAB CC(C)Oc1ccc(OCCn2cc(/C=C3\SC(=O)NC3=O)c3ccccc32)cc1 409146116 JOAOVPSINXCQMG-BKUYFWCQSA-N 422.506 4.831 0 40 HJAB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3)C2=O)c1 409154267 GKIBXZNIEHGQBH-CXUHLZMHSA-N 418.927 4.737 0 40 HJAB CCOc1cc(CNc2ccc(F)cc2)cc(I)c1OCC 409207503 VKJAUFYWOJWUIY-UHFFFAOYSA-N 415.246 4.840 0 40 HJAB Cc1ccc(CSCc2nnc(SCC(=O)Nc3ccc(C)cc3)n2C)cc1 409359394 JDYZFRBUHBZJIV-UHFFFAOYSA-N 412.584 4.596 0 40 HJAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/C=C\c3ccccc3)C2=O)c(C)c1 409374616 VBYNFYZBCVLQJY-DLKPYUDTSA-N 406.507 4.843 0 40 HJAB CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(-c2ccoc2)c1 537487416 WNUAQVFRBGBYJV-VSGJHWFKSA-N 414.505 4.854 0 40 HJAB Cc1ccccc1[C@@H]1CC(=O)c2c(nc3c(c(C)nn3-c3cccc(F)c3)c2N)C1 618255888 BNBYUIQIBFSXGW-HNNXBMFYSA-N 400.457 4.671 0 40 HJAB CO[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21)c1ccccc1C(F)(F)F 1538165936 ZBBRRSPGGJDGEX-AEFFLSMTSA-N 411.395 4.951 0 40 HJAB O=C(c1cccs1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc2c(c1)OCO2 1084939 LCWFYSLKYMSEDJ-JOCHJYFZSA-N 402.475 4.746 0 40 HJAB O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)N1CCc2ccccc21 1342600 VODYBNQFDFGSQJ-UHFFFAOYSA-N 411.530 4.902 0 40 HJAB COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 2412237 GSLSBNIBYNSAPZ-LJQANCHMSA-N 422.824 4.501 0 40 HJAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(C)cc2C)cc1 2426027 MKTCJRDZURCFKV-DNRSQYFGSA-N 422.569 4.619 0 40 HJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 2463219 BWTWZELDXYHCMO-KBXCAEBGSA-N 400.544 4.584 0 40 HJAB O=C(CCCSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccccc1 2638250 NSHVQHVKKXWTAE-KRWDZBQOSA-N 413.568 4.941 0 40 HJAB CC(C)(C)n1nc2c(c1NC(=O)C1(c3ccc(Cl)cc3)CCCC1)C[S@@](=O)C2 2725136 DSTGSCOKZFLQGE-NDEPHWFRSA-N 419.978 4.504 0 40 HJAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cc(C)ccc2C)cc1 3217747 IYJSFWWZPDZROB-UHFFFAOYSA-N 401.462 4.638 0 40 HJAB COc1ccccc1[C@H]1C[C@H](c2ccc(C)cc2)N(C(=O)CC(C)C)c2ncnn21 4816946 LOGXBOWJCANTQK-NHCUHLMSSA-N 404.514 4.709 0 40 HJAB CC1(C)N=C(c2ccc(Br)cc2)C(=S)N1C(=O)c1ccc(F)cc1 4891574 ITTRQOCENIBKKO-UHFFFAOYSA-N 405.292 4.597 0 40 HJAB CCOc1ccc(-c2cn3c(CC(=O)N4CCc5ccccc54)csc3n2)cc1 5146980 QBZWKVFDDIERNY-UHFFFAOYSA-N 403.507 4.593 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 5579274 QTVVJXSFRWYIPV-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)CC(C)C)cc3n2)cc1 6264771 FJBJYNMCMLPGSD-UHFFFAOYSA-N 423.586 4.931 0 40 HJAB CCOc1ncccc1C(=O)O[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 6537182 MBSWLNRLDJZBOX-NRFANRHFSA-N 404.466 4.634 0 40 HJAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)CSC(c1ccccc1)c1ccccc1 6840232 KPZDMPUSZZFVJG-WIYYLYMNSA-N 411.567 4.747 0 40 HJAB O=C(Nc1ccc(I)cc1)c1ccc(N2CCCCC2)cc1 7504662 DNCOBFYDIUOFTG-UHFFFAOYSA-N 406.267 4.534 0 40 HJAB CCCCCn1nc(C(=O)Nc2nc3c(C)cccc3s2)c2ccccc2c1=O 7654351 KDQXMBWLTWZLBR-UHFFFAOYSA-N 406.511 4.757 0 40 HJAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)Nc1ccc(F)cc1 7789593 KEJBPZBSGPNVOK-UHFFFAOYSA-N 407.474 4.631 0 40 HJAB Cc1ccc2c(Cl)cc(Cl)c(O[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)c2n1 9492672 OTJJSTHSYHPXKI-LLVKDONJSA-N 419.264 4.985 0 40 HJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(F)cc1F 9512815 HKWIKVNSVAPXAV-JTQLQIEISA-N 406.483 4.739 0 40 HJAB O=C(Nc1ccccc1)c1ccc(CN2CCC(C(=O)N3CCCCCC3)CC2)cc1 9537093 MIIPJCROASWCNM-UHFFFAOYSA-N 419.569 4.554 0 40 HJAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 9576311 INQAPKLRYDBFJZ-QGZVFWFLSA-N 409.917 4.631 0 40 HJAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(F)cc2F)s1 9615725 SEKMLELMHOSFMZ-UHFFFAOYSA-N 422.482 4.689 0 40 HJAB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)o1 9722964 VFTMLWNADYIIER-GXFFZTMASA-N 407.841 4.896 0 40 HJAB C[C@H](Nc1cccc(CO)c1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 12812558 RXVNVMRAULMMMF-INIZCTEOSA-N 417.534 4.819 0 40 HJAB CC1(C)Oc2ccc(C(=O)Nc3ccccc3F)cc2N(Cc2ccc(F)cc2)C1=O 12875539 XEWDSKDRXIOGQY-UHFFFAOYSA-N 422.431 4.921 0 40 HJAB CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccccc3CN3CCCC3)o2)cc1 12934776 FIIKOUPGLLCZRN-UHFFFAOYSA-N 402.494 4.675 0 40 HJAB C[C@@H](Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1)c1cccs1 13095395 GBWHEKCUBAJTAM-CQSZACIVSA-N 410.524 4.665 0 40 HJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1Br 15350149 ZSQFQXKHQIIQIB-UHFFFAOYSA-N 424.707 4.883 0 40 HJAB CN1C[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 16033165 ASQFCOLZFPITDH-WPWBMXPQSA-N 416.908 4.716 0 40 HJAB c1ccc(-c2cc3c(SCc4nnnn4-c4ccccc4)ncnc3s2)cc1 17661204 AFEUFVUYLYOOFU-UHFFFAOYSA-N 402.508 4.626 0 40 HJAB Cc1ccc(OCc2nc(CC(=O)NCCc3ccc(Cl)cc3)cs2)cc1 18183722 HQAXKIDYMBNVPE-UHFFFAOYSA-N 400.931 4.585 0 40 HJAB Cc1ccsc1C(=O)N1CCC(c2nc(NC3CC3)ncc2-c2ccncc2)CC1 19238546 YEFFPIFGBSXNHY-UHFFFAOYSA-N 419.554 4.503 0 40 HJAB CCn1cc(-c2cc(C(=O)Nc3nc(-c4cc(C)c(OC)cc4C)cs3)no2)cn1 19665075 KNEISHHLXQWYQO-UHFFFAOYSA-N 423.498 4.559 0 40 HJAB CN(Cc1cccc(Cl)c1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 21916384 JYTCUYWMLRMQDV-UHFFFAOYSA-N 402.885 4.860 0 40 HJAB Cc1c(Cl)ccc2sc(N(CCN3CCOCC3)C(=O)C3CCCCC3)nc12 22998754 ICRAWGADPLUBJB-UHFFFAOYSA-N 421.994 4.504 0 40 HJAB O=C1O[C@@H](C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)Cc2ccccc21 23056450 BGCLHZSDRIDAIR-MRXNPFEDSA-N 418.396 4.549 0 40 HJAB Cc1cc(C(=O)COC(=O)c2ccc(Br)o2)c(C)n1Cc1cccs1 25391118 HZYBOMDSFKMRQS-UHFFFAOYSA-N 422.300 4.610 0 40 HJAB CCOc1ccc(Oc2ccc(NC(=O)c3ccc(-n4ccnc4)nc3)cc2)cc1 25538719 PMESBEZYFIUUID-UHFFFAOYSA-N 400.438 4.711 0 40 HJAB Cc1c(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)oc2ccc(F)cc12 26108169 HSZAKHLIKZGRBF-UHFFFAOYSA-N 406.457 4.577 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 30996896 GOGOAVIPKIGGES-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB COc1ccc(N2C(=O)/C(=C\N(C)Cc3ccc(C)cc3)c3ccccc3C2=O)cc1 32714695 FWZIMODCCGCIHD-ULJHMMPZSA-N 412.489 4.664 0 40 HJAB CCc1ccc(Oc2cc(N3CCC(C(=O)NC4CCC(C)CC4)CC3)ncn2)cc1 33311975 JMZJIVYAHNOVCQ-UHFFFAOYSA-N 422.573 4.743 0 40 HJAB Cc1ccc(OCCOc2c(Cl)cc(/C=C3/SC(=N)NC3=O)cc2Cl)cc1 33349831 DOYUOSAPVFNVJG-MHWRWJLKSA-N 423.321 4.898 0 40 HJAB COC(=O)c1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2ccc(C)cn12 35616068 KOHPKCNPCGWSIY-UHFFFAOYSA-N 400.482 4.906 0 40 HJAB CCc1cc(C(=O)c2ccc(C)cc2)c(NC(=O)CN2CCc3ccccc3C2)s1 36186417 ZTUXNBCEIGKCCP-UHFFFAOYSA-N 418.562 4.847 0 40 HJAB O=C(NCC1(c2ccccc2)CCC1)c1cccc(CS(=O)(=O)c2ccccc2)c1 40145159 YSYYSJPHARKHRD-UHFFFAOYSA-N 419.546 4.512 0 40 HJAB Cc1ccc(NC(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)c(OCc2ccccc2)c1 48262469 QHNVENLOLZWYSE-VXKWHMMOSA-N 424.541 4.766 0 40 HJAB CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 57400962 QGHMFYFTICCQQM-UHFFFAOYSA-N 401.425 4.919 0 40 HJAB CCOC(=O)c1sc2nc(C)nc(N3CCC(n4c(C)ccc4C)CC3)c2c1C 58411410 XMGHWSRJQBXDND-UHFFFAOYSA-N 412.559 4.745 0 40 HJAB O=C(NCCc1c[nH]c2ccccc12)C1CN(C(c2ccccc2)c2ccccc2)C1 70666203 QBDJILLEUGYGMB-UHFFFAOYSA-N 409.533 4.548 0 40 HJAB biogenic NC(=O)c1cccc(OCC(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)c1 72280645 ZOHOOYHPYJOQJD-UHFFFAOYSA-N 412.898 4.608 0 40 HJAB COc1ccc2c(c1)N[C@]1(COC3(CCN(C[C@H]4CC=CCC4)CC3)C1)c1cccn1-2 72327226 JVEMOIKCJXZBLI-RXFWQSSRSA-N 419.569 4.718 0 40 HJAB COc1ccc2[nH]c(=O)c(/C=C3/SC(=O)N=C3Nc3cccc(Cl)c3)cc2c1 80336945 OJWHVOHPPHOCMU-RQZCQDPDSA-N 411.870 4.908 0 40 HJAB OC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2cccc(OC(F)F)c2)SC1 95480012 SEBBBSAGIJHUJT-SFHVURJKSA-N 401.438 4.957 0 40 HJAB COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3Cl)Nc3ncnn32)cc1OC 101096050 AKXVIICFLBCWEC-INIZCTEOSA-N 403.269 4.658 0 40 HJAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1cccc(Cl)c1 101147823 VKZIBRXYRIIWJC-KDOFPFPSSA-N 423.694 4.881 0 40 HJAB Clc1ccc(C2=C[C@@H](c3ccc(OCc4ccccc4)cc3)n3nnnc3N2)cc1 101153596 SRHVSNYFNIHLKZ-QFIPXVFZSA-N 415.884 4.962 0 40 HJAB O=C(O)[C@@H]1C[C@@H]2C[C@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104254941 NYMAXICBMAYDRR-KGIZXRANSA-N 410.939 4.805 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 222509231 XWJRYXZEWOOFCN-OAQYLSRUSA-N 400.950 4.605 0 40 HJAB O=C(CSCc1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1 222717601 ALEOWMFXWTZYLQ-UHFFFAOYSA-N 409.382 4.571 0 40 HJAB CCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224020685 CNPQHIHSAGFLCV-UHFFFAOYSA-N 415.342 4.713 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 224038045 UDIJJHZUBDWGRO-GOSISDBHSA-N 414.977 4.913 0 40 HJAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)c(C)c1 224114019 JVTJQYRFERZHEI-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 224656848 GNADRPCJWZESGZ-HSZRJFAPSA-N 424.585 4.570 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(CC)cc1 224806344 GNNZXBDKDODCFN-GOSISDBHSA-N 414.977 4.779 0 40 HJAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1C 225147878 GFGONCUOOKXWHP-YADHBBJMSA-N 420.538 4.817 0 40 HJAB O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1cccc(N2CCCC2=O)c1 225179748 XPFNXKZDZNMGSP-OAQYLSRUSA-N 404.510 4.770 0 40 HJAB COc1ccc(C2(C(=O)Nc3ccc(OCCCN(C)C)cc3)CCCCC2)cc1 225559175 UFBKLCNVTFTWIS-UHFFFAOYSA-N 410.558 4.866 0 40 HJAB CC[C@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(OC)c(C)c1 225759859 ATDADHATDZLCRK-IBGZPJMESA-N 405.560 4.874 0 40 HJAB CC(C)(C)C(=O)N1CC[C@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 248245568 GUHKWTAWVRWMOF-CFVMTHIKSA-N 400.489 4.579 0 40 HJAB Cc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2Cl)cc1Cl 408669102 WIMLWWMNACEVBU-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 537371898 UUFOTIARZLJAMA-RLCCDNCMSA-N 424.444 4.687 0 40 HJAB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(Cl)cc1 625726 DYLCJSGWUPOCTK-UHFFFAOYSA-N 408.708 4.863 0 40 HJAB O=C(Cc1ccccc1)NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 678859 RPVQYGOJCWSQMX-UHFFFAOYSA-N 406.351 4.780 0 40 HJAB C[C@H](C(=O)OCc1ccccc1)n1cnc2scc(-c3ccc(F)cc3)c2c1=O 956559 CTADFXGDHQXBIL-CQSZACIVSA-N 408.454 4.569 0 40 HJAB O=C(c1cccc(Cl)c1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc(Cl)cc1 1022934 AJYREMZOBNOKSW-INIZCTEOSA-N 403.187 4.603 0 40 HJAB Cc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)c1 2396553 FKEBZHJLRYWZFJ-UHFFFAOYSA-N 422.485 4.930 0 40 HJAB CCOP(=O)(OCC)c1nc(-c2ccc(F)cc2)oc1NCc1ccccc1 3109809 LLQQBAKDIGUCFM-UHFFFAOYSA-N 404.378 4.984 0 40 HJAB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1ccccc1 3224463 FWTMZSJDWRSUCH-UHFFFAOYSA-N 415.371 4.640 0 40 HJAB CC(=O)c1ccccc1NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 3285095 UOUBLLDPOPNDGR-UHFFFAOYSA-N 412.540 4.832 0 40 HJAB COC(=O)c1scc(C)c1N(C(=O)c1ccccc1F)C(=O)c1ccccc1F 4104989 SZVINWLMSMHKCC-UHFFFAOYSA-N 415.417 4.609 0 40 HJAB O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)Nc1cccc(O)c1 4130343 LSUDFJZUCGYRKX-UHFFFAOYSA-N 405.454 4.872 0 40 HJAB COc1ccc(CCC(=O)NCCSc2ncc(-c3ccc(Cl)cc3)[nH]2)cc1 4315822 FYWDTKTVGHVWLH-UHFFFAOYSA-N 415.946 4.580 0 40 HJAB Cc1ccc(NC(=O)COCC(=O)N(c2ccccc2)c2ccccc2)cc1Cl 4715634 SHNRTRJQVSPNFZ-UHFFFAOYSA-N 408.885 4.968 0 40 HJAB COc1ccccc1[C@@H]1C[C@@H](c2ccc(C)cc2)N(C(=O)CC(C)C)c2ncnn21 4816947 LOGXBOWJCANTQK-SFTDATJTSA-N 404.514 4.709 0 40 HJAB Cc1ccc(-n2ncc3c2ncn2nc(COc4ccc5ccccc5c4)nc32)cc1 5156731 ZWMNGYOUKASEPP-UHFFFAOYSA-N 406.449 4.504 0 40 HJAB O=C(c1ccccc1)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc4ccccc4c3)ccc(=O)n1C2 5415832 SINXWNAXDWQEGR-YADARESESA-N 420.512 4.928 0 40 HJAB biogenic,in-vitro Cc1cc(NC(=O)COc2cc3ccccc3cc2C(=O)Nc2ccccc2C)no1 6127400 RYOLAGPABMZBAY-UHFFFAOYSA-N 415.449 4.714 0 40 HJAB COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N3CCC(C)CC3)n2)cc1 6240526 VJYAPJXPSOSLPU-UHFFFAOYSA-N 420.517 4.612 0 40 HJAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1nc(-c2cccnc2)cs1 6578710 UPXDSPBCNRAPKI-UHFFFAOYSA-N 417.490 4.802 0 40 HJAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(Cl)c2)N1Cc1ccncc1 6744769 REYHRFZHOSDHTH-JOCHJYFZSA-N 416.868 4.576 0 40 HJAB CC(C)(C)c1cc(NC(=O)CSc2ncnc3ccccc23)n(-c2ccccc2)n1 7780107 GITAIZUMSCWMSW-UHFFFAOYSA-N 417.538 4.844 0 40 HJAB Cc1ccccc1-c1noc(CSc2nnc(Cc3cccs3)n2C2CC2)n1 7844441 XQQHWESXQHYVMI-UHFFFAOYSA-N 409.540 4.916 0 40 HJAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)c1ccc(-c2ccccc2)cc1 8157175 XVVKRAKDXGOZHA-GOSISDBHSA-N 411.552 4.771 0 40 HJAB COc1ccc(-c2cn[nH]c2-c2ccc(OCCN3CCC(C)CC3)c(C)c2O)cc1 8740891 ZFXIAXCWVBABSR-UHFFFAOYSA-N 421.541 4.877 0 40 HJAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc21 8959640 QYKKRBIVRLQMJL-UHFFFAOYSA-N 410.514 4.888 0 40 HJAB Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C(F)(F)F)cc2)o1 9573825 HBSMUOPQEHUKJH-UHFFFAOYSA-N 400.360 4.657 0 40 HJAB O=C(CSc1nnc(COc2ccccc2F)n1-c1ccccc1)c1ccccc1 9987827 TVIMYLABHFUQFC-UHFFFAOYSA-N 419.481 4.960 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 10369025 GKNLJQQVZYJFAB-UHFFFAOYSA-N 422.550 4.776 0 40 HJAB O=C(O)c1c(-c2ccccc2)oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12 11615811 MDUWITYDVIUDDV-UHFFFAOYSA-N 411.410 4.738 0 40 HJAB Cc1nc[nH]c1CN1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)CC1 12087582 QLVJJSJYJLSQGH-ZWKOTPCHSA-N 424.515 4.628 0 40 HJAB O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 12544882 RXEHMNLZBCKNIE-UHFFFAOYSA-N 401.875 4.785 0 40 HJAB Cc1cccc2sc(NC(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)nc12 12896450 MUQWHHINEHWKOE-FQEVSTJZSA-N 401.491 4.715 0 40 HJAB C[C@H](Oc1ccc(F)cc1)c1nnc(S[C@H](C)C(=O)N(C)C2CCCCC2)o1 12982378 PGHVFPZTMDBHRN-UONOGXRCSA-N 407.511 4.620 0 40 HJAB C[C@@H](NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc(Cl)cc1 13148955 SYZIJBJRJSLCMR-MRXNPFEDSA-N 421.880 4.605 0 40 HJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(O)c(OCC)c2)n2c(nc3ccccc32)N1 13634918 KYJHXXOZPIXTDS-JOCHJYFZSA-N 421.497 4.773 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2Cl)sc2c1CCCC2 13709899 RQCRSVBOXDRKJX-GFCCVEGCSA-N 407.919 4.863 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2Cc2ccco2)cc1 13805065 PKSCBYBHHTYYCF-UHFFFAOYSA-N 422.485 4.765 0 40 HJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 14022312 UPFLOXMIZGVSMK-JOCHJYFZSA-N 424.522 4.592 0 40 HJAB Cc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2)s1 15809810 JTZJKSVYYRVDOA-LLVKDONJSA-N 406.483 4.988 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 15883029 QLGHWSLRVPLCCH-UHFFFAOYSA-N 424.781 4.960 0 40 HJAB O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 17092029 JDYCRAUQFCSKPH-UHFFFAOYSA-N 419.912 4.555 0 40 HJAB Cc1ccccc1CC(=O)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 19237038 BXFFEPIGMLDNEG-UHFFFAOYSA-N 401.432 4.839 0 40 HJAB Cc1ccc2cccc(NC(=O)c3cc(Cn4nccc4C)nc4ccccc34)c2n1 19664501 CZEDUKHZKPLEPE-UHFFFAOYSA-N 407.477 4.897 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(F)c2)cc1Cl 21577147 YYCHDONRPKMXEO-UHFFFAOYSA-N 405.926 4.905 0 40 HJAB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1cccc2ccccc12 21966905 DWVZTPWAUCMYDF-UHFFFAOYSA-N 424.456 4.888 0 40 HJAB Oc1ccccc1N1CCN(Cn2c(=S)n(-c3ccccc3)c3ccccc32)CC1 25227748 GKMHDGKAFQRHPG-UHFFFAOYSA-N 416.550 4.647 0 40 HJAB COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(C)c2)cc1 28534627 CBMFLSHCCCRAPX-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB CCc1ccc(CN(Cc2cccnc2)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 29765837 VDGWHCYLXGHDNF-QHCPKHFHSA-N 406.913 4.830 0 40 HJAB Cc1nc(-c2ccc(CCNC(=O)c3cccc(Nc4ncccn4)c3)cc2)cs1 32779925 YVIKJNXRNSJKFO-UHFFFAOYSA-N 415.522 4.625 0 40 HJAB Cc1nc(C(C)(C)C)nc2sc(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)c(C)c12 32936602 IFBOORHWZTYTLE-UHFFFAOYSA-N 424.448 4.565 0 40 HJAB CCOc1ccc(NC(=O)COc2ccccc2-c2noc(-c3cccs3)n2)cc1 33325209 FWYGDMNTHSPTPH-UHFFFAOYSA-N 421.478 4.881 0 40 HJAB COc1ccc(NC(C)=O)cc1NC(=O)CCSc1ccccc1Br 40106592 FYBLUUTUOHFOJZ-UHFFFAOYSA-N 423.332 4.537 0 40 HJAB C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)CCn1cncn1 54816868 YFEZFXMLIBZAPQ-CRAIPNDOSA-N 419.916 4.538 0 40 HJAB Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)c1 67259387 GFKDNAQTJQEHFI-UHFFFAOYSA-N 416.502 4.774 0 40 HJAB O=C(NCc1cccc(Cl)c1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 67261285 XJGLJBXDELECLH-UHFFFAOYSA-N 424.291 4.566 0 40 HJAB Cc1ccc(-n2ncc(C(=O)N3CC[C@@H]4[C@H]3[C@@H]4C(F)(F)F)c2C2CC2)cc1Cl 72311697 CDISECXJXZKZIW-XCRHUMRWSA-N 409.839 4.734 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cc1 72359631 YZNGKFYHPRNZPF-IBGZPJMESA-N 421.928 4.754 0 40 HJAB O=C(OCc1cncc(Br)c1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 95350045 WFCLTFQLIGDJDS-UONOGXRCSA-N 400.194 4.710 0 40 HJAB CC(C)Cn1nc(CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2c1=O 95474528 VJRMQSDNXSJEBI-UHFFFAOYSA-N 404.297 4.541 0 40 HJAB Cc1ccc(C(=O)N2CCC(c3nc4ccc(-c5cccs5)cn4n3)CC2)s1 96155796 URNLENZQTBTSDV-UHFFFAOYSA-N 408.552 4.848 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1O 106695817 QJCJVXBNHXTHER-SXGWCWSVSA-N 407.850 4.820 0 40 HJAB COC(=O)CC[C@H](C)[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[C@@]21C 118917387 BWDRDVHYVJQWBO-YBBTWOBXSA-N 406.607 4.566 0 40 HJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219334850 PITNSXPPNVLWNR-LJQANCHMSA-N 413.905 4.823 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C 222545807 WVCRLPXSFIFWML-RDPSFJRHSA-N 424.585 4.577 0 40 HJAB C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 222838334 BPBRGRWZFCUKPK-IBGZPJMESA-N 420.940 4.616 0 40 HJAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223355205 IDJNOBIIQLCLGO-GOTSBHOMSA-N 414.534 4.946 0 40 HJAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c(C)c1 223383807 ZLPZYRAYFFMYLK-QGZVFWFLSA-N 405.560 4.792 0 40 HJAB O=C(O)[C@@H](Cc1ccc(I)cc1)Sc1ccc(Cl)cc1 225069387 JEEHZTOZTFEXOW-CQSZACIVSA-N 418.683 4.733 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 225100485 ZLSVWGGPVAKCMP-QFIPXVFZSA-N 412.599 4.562 0 40 HJAB 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CC(=O)N[C@@H](C)CCc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1 7643320 BDRTZIFIHOSEJR-KRWDZBQOSA-N 421.566 4.757 0 40 HJAB CC(=O)c1cccc(OCC(=O)N(Cc2ccccc2)[C@H](C)Cc2cccs2)c1 7735563 NZUOXIRQDSYVTJ-GOSISDBHSA-N 407.535 4.990 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(C)c(Br)cc3C)CC2=O)cc1C 7928007 XYUIRKHQWXVGIF-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB CCOc1ccccc1NC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 8113999 RYCVRXHSCLGWBS-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB Cc1nn(CC(C)C)c2sc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)cc12 8325692 QWOJODRSYGSPAV-UHFFFAOYSA-N 407.543 4.520 0 40 HJAB CCN(CC)CCN(C(=O)c1ccco1)c1nc2ccc(Br)cc2s1 8590834 PEWPDLZRMBLXKA-UHFFFAOYSA-N 422.348 4.640 0 40 HJAB O=C(CSc1ncc(-c2ccc(Br)cc2)[nH]1)Nc1cccnc1Cl 8719770 WSHUQWIHNSQMAD-UHFFFAOYSA-N 423.723 4.618 0 40 HJAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cccc(C)c1C 9002259 AGSUAWCJUSKDFF-UHFFFAOYSA-N 415.536 4.928 0 40 HJAB C[C@H](Cc1nnc(NC(=O)Cc2ccc(Br)cc2)s1)c1ccccc1 9095431 NSGZIUIJUHLYFP-CYBMUJFWSA-N 416.344 4.828 0 40 HJAB C[C@H](Nc1ccc(I)cc1)c1nnc(-c2ccc(F)cc2)o1 9587908 FBMJBQTUSBIXQV-JTQLQIEISA-N 409.202 4.653 0 40 HJAB Cc1ccc(Nc2nc(N)nc(CSc3nc(C)c(C)n3C3CCCC3)n2)cc1 9714844 QRWFXMFBSBVDBQ-UHFFFAOYSA-N 409.563 4.727 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccccc1 10367816 VOWOPAWWOVPJFH-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB COc1ccc2cc(CNC(=O)[C@@H](NC(=O)c3ccccc3Cl)C(C)C)ccc2c1 11124751 GSJKYHRTVKGURT-QFIPXVFZSA-N 424.928 4.573 0 40 HJAB Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)oc2ccccc12 12509351 JEUCJEFVCUGXIR-UHFFFAOYSA-N 417.431 4.764 0 40 HJAB COc1cccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccoc2C)c1 13511981 FOIUJIYYOSPFKA-UHFFFAOYSA-N 420.494 4.575 0 40 HJAB CCN(c1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1)S(C)(=O)=O 13679826 NGVZWLKJHVGSCN-UHFFFAOYSA-N 421.733 4.685 0 40 HJAB COC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccccc1C(F)(F)F 13686242 LNQQIKJLUNIPGB-QGZVFWFLSA-N 406.429 4.588 0 40 HJAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccccc3CC)n2C)cc1 13871305 SGAODOFBBRYBHM-MRXNPFEDSA-N 424.570 4.811 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 14111772 QGTONGZLJZTYOK-NRFANRHFSA-N 422.912 4.637 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC1(N2CCCCC2)CCCCC1 14140403 WTJUGLOSLRQOHG-UHFFFAOYSA-N 414.981 4.753 0 40 HJAB CC[C@H](C)c1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1 15517270 WDDACCBTCPUAMR-MGPUTAFESA-N 417.962 4.655 0 40 HJAB O=C(NCc1ccccn1)c1cc(-c2cccc(Br)c2)nc2ccccc12 16050266 ZDAQNJFZCPEKIU-UHFFFAOYSA-N 418.294 4.989 0 40 HJAB Cc1nc([C@H]2CCCCN2C(=O)c2oc3ccccc3c2C)nc2c1CCCN2C 19706105 BERSWGYVEPGNSC-LJQANCHMSA-N 404.514 4.589 0 40 HJAB CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1cc(Cl)ccc1OC 19928682 XGKVJNVLRBWULV-UHFFFAOYSA-N 401.919 4.910 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCC3)ccc2Cl)cc1C 20482186 PCUAKDOPGIWRAZ-UHFFFAOYSA-N 420.962 4.772 0 40 HJAB CC(C)c1ccc(-c2nnc(NC(=O)c3cccc4cccc(C(=O)O)c34)o2)cc1 20495981 ARYQCXLQAUTOIY-UHFFFAOYSA-N 401.422 4.964 0 40 HJAB COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc2c(c1)OCO2 20611404 HWSGEQOMAPNHBS-UHFFFAOYSA-N 423.812 4.533 0 40 HJAB COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1ccccc1C 21792538 PKKSULCMDXYZHS-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)N3CCCCC3)no2)cc1 21805437 GPDQWNUHIOGZQE-HSZRJFAPSA-N 403.526 4.915 0 40 HJAB Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)c2ccccc2F)CC1 23316204 WAMHRGHFUYUBJQ-UHFFFAOYSA-N 405.395 4.980 0 40 HJAB COc1cccc([C@H]2CN[C@@]3(CC(=O)CC(C)(C)C3)c3[nH]c4ccccc4c32)c1OC 25538898 LWORBGQDADVKSB-NIYFSFCBSA-N 418.537 4.895 0 40 HJAB COc1ccc(OC)c(CCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 25904000 BPCXXSAHCRNRTJ-DEOSSOPVSA-N 407.535 4.872 0 40 HJAB CCc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)N2CCCC2)cc1 28292666 FOUMMQPBHORUJO-QFIPXVFZSA-N 418.537 4.539 0 40 HJAB COc1cc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)ccc1OCc1cscn1 30617675 CPKCTGVGYVFWQQ-GFCCVEGCSA-N 415.540 4.564 0 40 HJAB CC1=C[C@@H](CN2CCN(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1 30883119 OPSSFJQTOFGNKS-HJOGWXRNSA-N 422.617 4.690 0 40 HJAB biogenic,in-vitro 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CCCCn1c(SCC(=O)Nc2c(C)cccc2Cl)nc2ccsc2c1=O 57426428 AQIRGIZQRDHVAV-UHFFFAOYSA-N 421.975 4.951 0 40 HJAB CC[C@H](OC)C(=O)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 58432590 GLBRQCMDGRRAEP-HNNXBMFYSA-N 407.239 4.760 0 40 HJAB CCN1c2ccc(C(=O)Nc3cccc(C)c3C)cc2-c2ccccc2S1(=O)=O 65315057 SNCLYAAHBAFVNZ-UHFFFAOYSA-N 406.507 4.751 0 40 HJAB O=c1c(Cl)c(N2CCC(c3ccccc3)CC2)cnn1-c1ccc(F)cc1F 71810547 PONYSPAMXLMZEW-UHFFFAOYSA-N 401.844 4.548 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72358206 LGQUDOIHBMAVTO-QHCPKHFHSA-N 408.448 4.693 0 40 HJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 72377045 QDIDSMVCGCNEBE-HXUWFJFHSA-N 424.907 4.815 0 40 HJAB O=C(Nc1nncs1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 72401785 DOPWXLUGVCOKFG-LJQANCHMSA-N 418.522 4.624 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCN(Cc2cnoc2-c2ccc(Cl)s2)CC1 84387919 QHPGDXLQUCGLMC-UHFFFAOYSA-N 422.337 4.668 0 40 HJAB CC1(C)CC(=O)c2sc(NC(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)nc2C1 95369412 LHVSNSDJPYXYDE-UHFFFAOYSA-N 423.416 4.930 0 40 HJAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2 100419774 NJVPMCYQFRGQLC-HYRWMADMSA-N 407.602 4.840 0 40 HJAB COC(=O)CC[C@@H](C)[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[C@@]21C 118917388 BWDRDVHYVJQWBO-MGUHFAAZSA-N 406.607 4.566 0 40 HJAB C[C@H]1c2cc(Br)c3c(c2N(C(=O)OC(C)(C)C)C(C)(C)[C@H]1O)CCC3 141455346 LKLBCJPIEGADQE-GTNSWQLSSA-N 410.352 4.936 0 40 HJAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@H]1CCCN1c1nc2ccccc2o1 206772986 OKMJPILHSWDURY-QGZVFWFLSA-N 417.431 4.564 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 223016147 OLYBKVGUAFKNQD-FQEVSTJZSA-N 418.990 4.684 0 40 HJAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 223026238 IPBCJRVWJUHGOK-UXHICEINSA-N 413.930 4.614 0 40 HJAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCC2)c1C 223049473 KZXWQYDJKDGBJR-FCHUYYIVSA-N 412.603 4.624 0 40 HJAB C[C@H]1Cc2cccc3c(=O)c(C(=O)N(Cc4ccccc4)Cc4ccccc4)cn1c23 223096100 FISYAFAQFMHKMD-IBGZPJMESA-N 408.501 4.961 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 223432611 AZKMQZXUBIDYSK-QFIPXVFZSA-N 412.549 4.789 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 223785528 DBWHDQIZNWRTLQ-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB Cc1cccc(OCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 224542662 MKOSEHCCSIACRC-UHFFFAOYSA-N 421.368 4.709 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 224703812 NHIDZIBBJDIEAT-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C 225549347 DZNDSIXTYDXREN-XUZZJYLKSA-N 408.586 4.876 0 40 HJAB Cc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCC[C@@H](C)C4)cc3)s2)cc1 225820661 SSBHPWLCOWUQSG-QGZVFWFLSA-N 406.555 4.998 0 40 HJAB COc1ccc([C@@H]2[C@@H](NC(=O)C[C@H](C)n3nc(C)c(C)c3C)[C@@H]3CCCC[C@H]32)cc1 257367378 CUVHVJHKEWHHOI-WIAZHXRZSA-N 409.574 4.857 0 40 HJAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(Cl)c4C)cc3)C(=O)[C@H]2C1 408687107 UIRPMVWTIVFIPX-ROUUACIJSA-N 408.885 4.746 0 40 HJAB CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)C1=O 408808957 HDNXEJKBUIMDKS-SXGWCWSVSA-N 422.275 4.833 0 40 HJAB COc1cccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)c2ccccc2O)c1 585105798 NZNNYHLTTZHRNU-UHFFFAOYSA-N 415.489 4.776 0 40 HJAB O=C(c1cccc2ccccc12)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 585147553 QORJZXMRJVOYQU-UHFFFAOYSA-N 423.516 4.616 0 40 HJAB Oc1nc(CCc2nc(C3(c4ccc(F)cc4F)CCCC3)no2)nc2ccccc12 685398290 QHPNNPDZPBANFX-UHFFFAOYSA-N 422.435 4.642 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)C2CCCCC2)cc1 1014225 GIPIYQMHWXHPAD-UHFFFAOYSA-N 414.571 4.574 0 40 HJAB CCOc1ccc(CC(=O)NCCc2c(C)[nH]c3c(C)ccc(F)c23)cc1OCC 1088422 XZXNAZOLGVEHHZ-UHFFFAOYSA-N 412.505 4.623 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccccc2C)sc2c1CC[C@H](CC)C2 1102493 VCFVZFQASPWYKI-HNNXBMFYSA-N 401.528 4.766 0 40 HJAB CCCOC(=O)c1ccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 1907098 HWGADOONCKZCFL-UHFFFAOYSA-N 419.477 4.850 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(F)cc1)N(Cc1ccco1)C3=O 2406974 BJLZTHIVYIBARP-NRFANRHFSA-N 403.409 4.887 0 40 HJAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2cc(Cl)ccc2OC)cc1 2723227 QJHSECNTTSLDHO-UHFFFAOYSA-N 417.918 4.664 0 40 HJAB COc1ccc(S(=O)(=O)c2ccccc2)cc1NC(=O)Nc1cccc(Cl)c1 3226587 AOCDDKPJCINAQO-UHFFFAOYSA-N 416.886 4.825 0 40 HJAB COc1ccc(-c2nnc(SC[C@H](O)c3ccccc3)n2-c2ccccc2)cc1 3324427 AEDQQBAZOUWVRU-NRFANRHFSA-N 403.507 4.769 0 40 HJAB Cc1ccc(NC(=O)NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c(C)c1 3450709 DHSRKKOGNDVKEM-UHFFFAOYSA-N 401.677 4.991 0 40 HJAB CCCOc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)c1 3669111 QKCXVTGIYZEMTI-UHFFFAOYSA-N 418.449 4.678 0 40 HJAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCc3ccccc3F)c(C)c12 4089678 KOKUXRXRRKPKEO-UHFFFAOYSA-N 407.441 4.505 0 40 HJAB biogenic CCOc1ccc2nc(SCC(=O)Nc3ccc(OC)cc3OC)c(C)cc2c1 4127546 DYTDBXBYKYVFTR-UHFFFAOYSA-N 412.511 4.690 0 40 HJAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2Cl)NC(=O)N1 5784069 GHPLLMIHFNGHNH-MRXNPFEDSA-N 409.795 4.625 0 40 HJAB Cc1cc(C(=O)COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c(C)c(C)c1C 5970588 CKTDTHDGIHIVAC-UHFFFAOYSA-N 422.525 4.590 0 40 HJAB O=C(NC[C@@H](O)c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 6112294 BERBVAKRLZOCFF-HSZRJFAPSA-N 407.473 4.847 0 40 HJAB biogenic CCOc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2OCC)CC1 7310925 GRBVTXXBEBBRBJ-UHFFFAOYSA-N 410.514 4.868 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 7781396 ZSYOLMLUCROOMH-UHFFFAOYSA-N 413.359 4.502 0 40 HJAB COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c(O)c(OC)c1 7884933 YKEKYWGHWRBCTI-OAQYLSRUSA-N 410.857 4.834 0 40 HJAB Cc1ccccc1-n1nc(C(=O)NCc2ccccc2)nc1-c1ccc(Cl)cc1 8476542 AIMYGCHUYNNRCC-UHFFFAOYSA-N 402.885 4.826 0 40 HJAB Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCc1cccs1 8771830 DNSAHBMMXKJRIF-UHFFFAOYSA-N 406.920 4.740 0 40 HJAB Cc1ccc(O)c(NC(=O)COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)c1 8990796 ZMSZJLFMGZOIJH-UHFFFAOYSA-N 415.445 4.800 0 40 HJAB COc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)cc1 9250021 VDZGDXQEQIHAEY-UHFFFAOYSA-N 406.507 4.934 0 40 HJAB Cc1cc(C(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c(C)n1C1CC1 9466359 KNBDATXUOUTHFH-UHFFFAOYSA-N 421.497 4.900 0 40 HJAB O=C(Cc1cn(Cc2ccc(F)cc2)c2ccccc12)NCc1c(F)cccc1F 9523787 PBJNGCJIUGMFAK-UHFFFAOYSA-N 408.423 4.966 0 40 HJAB O=C(C[C@@]1(O)C(=O)N(Cc2cccs2)c2ccccc21)c1ccc2ccccc2c1 9530545 FUECOFZUUWBFRH-VWLOTQADSA-N 413.498 4.909 0 40 HJAB O=C(COc1ccc2ccccc2c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9912542 OTZBNKLFEUKNIT-JOCHJYFZSA-N 403.478 4.744 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC[C@@H](C)c1nc2ccccc2n1C(F)F 10639884 DLYAPCNVDZEEEG-CHWSQXEVSA-N 407.848 4.772 0 40 HJAB COc1ccccc1NC(=O)[C@H](C)Sc1nnc2cc(C)c3cccc(C)c3n12 11907690 YZPKWVSDCYUUKJ-HNNXBMFYSA-N 406.511 4.627 0 40 HJAB C[C@@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)Cc1ccc(F)cc1Cl 12084985 MWHVQDHPVLTOGC-NSHDSACASA-N 413.802 4.595 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1 12548212 IQDHDDYIMKAGIV-QFIPXVFZSA-N 406.917 4.783 0 40 HJAB CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc3c2CCCC3)cc1 12779450 XAFNLXGVKCJAEH-UHFFFAOYSA-N 408.527 4.524 0 40 HJAB COc1ccc(C(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)c2ccccc12 12922477 BCUAJNDDFNUIET-GOSISDBHSA-N 416.521 4.578 0 40 HJAB CCOC(=O)c1cc2cc(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)ccc2[nH]1 12945196 BCKLBDGUEMFSCU-UHFFFAOYSA-N 404.388 4.636 0 40 HJAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 13068766 GXFIRWRSZREWQS-UHFFFAOYSA-N 416.525 4.890 0 40 HJAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 13685691 PAHKUSXIYFPSSK-LJQANCHMSA-N 402.494 4.639 0 40 HJAB O=C(Oc1ccc(-c2nnco2)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 14795037 ZRRZNSQPZMWOCU-UHFFFAOYSA-N 408.417 4.809 0 40 HJAB Cc1ccccc1CSCC(=O)Nc1ccccc1C(=O)NCc1ccccc1 16362806 ZAXFIPQTVXZVNL-UHFFFAOYSA-N 404.535 4.797 0 40 HJAB Cn1c(SCc2ccc(F)cc2)nc2c(sc(=S)n2-c2ccccc2)c1=O 17144321 CBZFJHQYPQGFTL-UHFFFAOYSA-N 415.540 4.947 0 40 HJAB COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccc(NC(C)=O)cc1)C1=C2CCCC1 19022367 IZIUNSCEUOTEEB-QFIPXVFZSA-N 420.509 4.517 0 40 HJAB O=C(c1ccccc1)N1CCC[C@H](c2nc(-c3ccncc3)ncc2-c2ccncc2)C1 19368722 VZHFPIXEWQCFSS-QFIPXVFZSA-N 421.504 4.620 0 40 HJAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCc3nc4cc(C)c(C)cc4[nH]3)c2)n1 19718357 YUHBMRDVEBUEBG-UHFFFAOYSA-N 421.932 4.608 0 40 HJAB COc1ccc(Br)cc1C(=O)Nc1cc(-c2ccc(CO)o2)ccc1C 20141247 HWIHGUOAGQLCHT-UHFFFAOYSA-N 416.271 4.771 0 40 HJAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)C1(c2ccccc2)CCCC1 20153574 IYBOYFHSEPBTTI-UHFFFAOYSA-N 420.534 4.764 0 40 HJAB CC(C)OC(=O)c1cccnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 20389097 UTGVBAYWBOSQOO-UHFFFAOYSA-N 415.537 4.558 0 40 HJAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 20494033 RMEPCIGMIHEEIQ-KRWDZBQOSA-N 422.912 4.719 0 40 HJAB Cc1ccc(-c2csc3ncc(C(=O)Nc4ccc(F)c(Cl)c4)c(=O)n23)cc1 20768113 VKETTYQZHMNOPK-UHFFFAOYSA-N 413.861 4.776 0 40 HJAB CCSc1nnc(SC[C@@H](O)COc2ccc(-c3ccccc3)cc2)s1 22132221 UJCNWNGGNCSCHI-INIZCTEOSA-N 404.582 4.849 0 40 HJAB CSCc1nnc(SCC(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)o1 22133230 ZJNNINFCEPRQNI-UHFFFAOYSA-N 423.947 4.597 0 40 HJAB COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCC(C)CC2)c1 22852438 BOIDSQFTZDIFON-SFHVURJKSA-N 424.526 4.586 0 40 HJAB COc1ccccc1CN(Cc1cccs1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 24219142 IQQUWXNCAWJKDB-OAQYLSRUSA-N 413.926 4.943 0 40 HJAB Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 26640419 VTQJURZIYCQRPI-UHFFFAOYSA-N 400.507 4.558 0 40 HJAB CC[C@H](Oc1ccccc1C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 30853617 OVONOUMIGMSDKQ-IBGZPJMESA-N 406.448 4.520 0 40 HJAB O=C1c2ccccc2N[C@@H](c2csc(-c3ccc(F)cc3)n2)N1C[C@H]1CCCO1 32854080 OZTJPMAZGKKBER-OXQOHEQNSA-N 409.486 4.695 0 40 HJAB CC(C)(C)C(=O)Nc1ccccc1SCc1cc(=O)n2cc(Cl)ccc2n1 33025864 SYPOQRHWJYOAIB-UHFFFAOYSA-N 401.919 4.625 0 40 HJAB CCOC(=O)/C(=C/c1ccc(C(F)(F)F)cc1)c1nc2sc(C)c(C)c2c(=O)[nH]1 33646433 ITTCKXSZULNOCP-NTEUORMPSA-N 422.428 4.724 0 40 HJAB Cc1cccc(-n2c(SCc3ccn(C)c(=O)c3)nnc2-c2ccc(Cl)cc2)c1 36390862 YJOMSXUUVFTBLV-UHFFFAOYSA-N 422.941 4.887 0 40 HJAB O=C(Nc1ccccc1Br)[C@H]1CCCN(Cc2ccccc2Cl)C1 38834881 DCUDODIPSVJOGB-HNNXBMFYSA-N 407.739 4.953 0 40 HJAB O=C(COc1ccc2oc3ccccc3c2c1)NCc1ccccc1Cn1ccnc1 40023571 NOBSZDXCNONBON-UHFFFAOYSA-N 411.461 4.526 0 40 HJAB COc1ccccc1-c1ccccc1C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 49748928 SKVUSYPERUBAJA-UHFFFAOYSA-N 414.461 4.658 0 40 HJAB CSC(SC)=C1CCC[C@H]2C1=NN(C(=O)CCC(=O)O)[C@H]2c1ccccc1 51329769 OHBBJEPGVKVFRN-LIRRHRJNSA-N 404.557 4.528 0 40 HJAB C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)N1CC=C(c2ccccc2)CC1 58143674 FSEMFGGOALFGIN-CVEARBPZSA-N 405.567 4.960 0 40 HJAB Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 58391499 WRYMQEAEDNIEOP-MRXNPFEDSA-N 423.900 4.794 0 40 HJAB COC(=O)c1sc2nc(/C(Cl)=C/c3cc(C)c(OC)c(C)c3)nc(O)c2c1C 63276950 DVSSMWCFSLXDKT-JYRVWZFOSA-N 418.902 4.854 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N(C(C)C)C(C)C)nc2)cc1 72212995 WEZFIAKFOHTVGL-QFIPXVFZSA-N 415.603 4.929 0 40 HJAB Cc1cccc(-c2nc(CC(=O)N[C@@H](C)[C@@H](O)c3c(F)cccc3Cl)cs2)c1 72311626 XTBCRMXRNJWDGK-RNODOKPDSA-N 418.921 4.692 0 40 HJAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4F)nccn3n2)cc1C 72328548 GHDQKTPODHBNEK-UHFFFAOYSA-N 406.486 4.883 0 40 HJAB COc1cccc(-c2cncc([C@H]3CCCN(C(=O)CCCc4ccccc4)C3)n2)c1 72359834 SLORYFKUIRVPOV-QFIPXVFZSA-N 415.537 4.881 0 40 HJAB COc1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2ccccc2)c(OC)c1OC 107813805 KKVKLHQQADSLCV-BMRADRMJSA-N 417.505 4.955 0 40 HJAB CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220362448 DPNKGFAHXHJEKK-OAHLLOKOSA-N 422.978 4.566 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 223177552 OWTIDSOTCHOEPV-FQEVSTJZSA-N 400.950 4.605 0 40 HJAB COc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCCCCC4)cc3)s2)cc1 223443476 PHJMOWDGCQKFDM-UHFFFAOYSA-N 422.554 4.842 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)CC(C)(C)C)cc1 223933805 WYUSNJUNQBJSOI-UHFFFAOYSA-N 402.560 4.740 0 40 HJAB COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1CSc1ccc(C)cc1 224339567 SZXJKSJDCDUOGJ-UHFFFAOYSA-N 406.507 4.647 0 40 HJAB COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225023804 MOZMWMLAILAFKD-GOTSBHOMSA-N 418.566 4.796 0 40 HJAB COc1cccc(-c2ccc(C(=O)N[C@@H](c3cccnc3)C3CCOCC3)cc2)c1 225619113 NTNREXIJFMVMAO-XMMPIXPASA-N 402.494 4.655 0 40 HJAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 408585210 XRGOESPGSMRUCX-UHFFFAOYSA-N 416.330 4.572 0 40 HJAB Cc1cccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2ccccc2)c1C 408699745 YXEXUDOANICCCR-UHFFFAOYSA-N 411.461 4.591 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O)Nc1cccc(F)c1 409231636 DPISQBYZRDSIPF-OVCLIPMQSA-N 424.375 4.520 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2C)c1 409368034 LSTUIPQZTCXUJM-SFHVURJKSA-N 408.523 4.595 0 40 HJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)NC12CC3CC(CC(C3)C1)C2 618256910 YZJLFAOFVAEQOQ-IIFATDLDSA-N 402.585 4.778 0 40 HJAB Cc1ccc(C(=O)N2CCc3cc(-c4nc(NC(=O)C5CC5)sc4C)ccc32)cc1 1238248 RJQOWHPCDGIHRN-UHFFFAOYSA-N 417.534 4.978 0 40 HJAB CCOC(=O)c1c(NS(=O)(=O)c2ccc3ccccc3c2)sc2c1CCCC2 2454883 HOSJNBAUCXSAAF-UHFFFAOYSA-N 415.536 4.758 0 40 HJAB O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1nc2ccccc2s1 2468262 GDAXXNUSWNWKQV-UHFFFAOYSA-N 400.916 4.866 0 40 HJAB COc1ccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccccc3C)oc2c1 2687265 WBAANRGPUXRGDR-VHXPQNKSSA-N 405.475 4.815 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417.321 4.718 0 40 HJAB Cc1cccc(N2CCN(C(=O)CCc3sc(C)nc3-c3cccs3)CC2)c1 19933175 OOLBWXOMGCNNLU-UHFFFAOYSA-N 411.596 4.770 0 40 HJAB CCOc1cc(CNCCN(CC)CC)cc(Cl)c1OCc1ccc(F)cc1 22075682 LKVCULLPGRWQPZ-UHFFFAOYSA-N 408.945 4.888 0 40 HJAB CCc1nc2sc([C@@H](c3ccc(C(F)(F)F)cc3)N3CCC(C)CC3)c(O)n2n1 22853347 CPRUHYJUCXVLLU-MRXNPFEDSA-N 424.492 4.899 0 40 HJAB CCN(CC)Cc1ccc(CNC(=O)c2ccccc2OCc2c(C)noc2C)cc1 28081497 IHBQPGXTTFMADO-UHFFFAOYSA-N 421.541 4.642 0 40 HJAB Cc1ccc(OCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1C 28288001 NKBBTEINPROHOE-UHFFFAOYSA-N 400.931 4.818 0 40 HJAB CC(C)[C@@H](NC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccc(C(C)(C)C)cc1 28508115 HXGDTXALNSNHJF-JOCHJYFZSA-N 410.558 4.943 0 40 HJAB CC(C)(C)c1cccc(OCC(=O)Nc2ccccc2I)c1 36259323 CRRFHRMVIUOWRD-UHFFFAOYSA-N 409.267 4.606 0 40 HJAB C[C@@H]1CCc2sc(C(=O)Nc3ccc(-n4cncn4)cc3C(F)(F)F)cc2C1 36394517 UNAXUUOLGYIJRM-LLVKDONJSA-N 406.433 4.725 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)Cc1ccc(Cl)cc1Cl 36726639 LNVOLZDTCFKLRD-FQEVSTJZSA-N 403.309 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4.739 0 40 HJAB Cc1ccc(-n2c(SCC(=O)c3ccccc3)nc3c(c2=O)S[C@H](C)C3)cc1 4108134 FSKARYWVUWZFGG-OAHLLOKOSA-N 408.548 4.553 0 40 HJAB Cc1cccc(C)c1NC(=O)c1sc2nc3cc4c(cc3cc2c1N)OCCO4 4848847 NJMOLMSRSJXRSW-UHFFFAOYSA-N 405.479 4.672 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3[C@@H](C)CCC[C@@H]3C)ccc2C)cc1 4863414 FPYXHRIONRJIBX-ROUUACIJSA-N 400.544 4.507 0 40 HJAB COc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccccc3)[nH]2)cc1 4927683 UIVMIRPUIWBTMP-UHFFFAOYSA-N 419.506 4.754 0 40 HJAB Cc1csc2nc(-c3cccc(NC(=O)c4cc5ccccc5oc4=O)c3)cn12 5083700 WQHVFSCEIFQJLA-UHFFFAOYSA-N 401.447 4.730 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(OC)cc1 5499579 DXHFRYGCBFGGOU-UHFFFAOYSA-N 410.543 4.828 0 40 HJAB COc1cc(NCC(=O)Nc2cc(C(C)(C)C)ccc2OC)c(OC)cc1Cl 5933348 BCZZLLSNQOCVPA-UHFFFAOYSA-N 406.910 4.714 0 40 HJAB CC(C)(C)c1ccc(C(=O)NCc2n[nH]c(=S)n2-c2cccc(Cl)c2)cc1 6306114 JMULZOFPQWUKKH-UHFFFAOYSA-N 400.935 4.811 0 40 HJAB CC(C)c1ccc(OCC(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 6365137 BYCMCBHAEILCBY-UHFFFAOYSA-N 414.461 4.628 0 40 HJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1cccc2ccccc12 6441660 SNVQSBHNYMPXHW-UHFFFAOYSA-N 416.433 4.711 0 40 HJAB COc1ccc(Cl)cc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1 6461145 ZKUOYCKRSRUXBT-UHFFFAOYSA-N 410.857 4.618 0 40 HJAB CC(C)COC(=O)N1CCC[C@H]1C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 6616128 AMIXYLZPGBUXBW-NRFANRHFSA-N 415.530 4.717 0 40 HJAB COc1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccccc2OC)cc1 6642422 GRPDIUHLLNROLW-GPLMOBQYSA-N 421.537 4.612 0 40 HJAB biogenic CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(OCCC)c1 6752999 WMPOCWIBCVHZMY-HSZRJFAPSA-N 405.498 4.916 0 40 HJAB CC[C@@H](C)Cc1c(C)sc2nc(CSc3nnc(C4CC4)n3CC)[nH]c(=O)c12 6934818 GINGKHQUDLTQEI-LLVKDONJSA-N 417.604 4.663 0 40 HJAB CC(C)OC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1 8560899 ZBKUDRHQNCUFKC-UHFFFAOYSA-N 420.303 4.810 0 40 HJAB CC[C@H](C)c1ccc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)cc1 8719100 GMDWSPCAXLVAFK-SSOJOUAXSA-N 404.510 4.557 0 40 HJAB O=C(c1ccccc1)c1cn(Cc2ccc(Cl)cc2)c2cc3c(cc2c1=O)OCO3 9610723 OTPABGKNJCHGTL-UHFFFAOYSA-N 417.848 4.663 0 40 HJAB CCc1ccc(-c2noc(CSc3nnc(-c4ccc(OC)c(OC)c4)o3)n2)cc1 9645826 OZSLEWSLLCSRJO-UHFFFAOYSA-N 424.482 4.659 0 40 HJAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(Oc2ccccc2Cl)cc1 11512323 DPMLGGBFCSZXFR-UHFFFAOYSA-N 405.841 4.550 0 40 HJAB Cc1ccnc(-n2c(S[C@@H](C)C(=O)c3ccc(F)cc3)nc3ccccc3c2=O)c1 12551101 APGCDBIUAXEHLQ-HNNXBMFYSA-N 419.481 4.592 0 40 HJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN[C@H](C)c1ccccc1 12599521 MUNZCEBCOXVVOS-MRXNPFEDSA-N 408.523 4.881 0 40 HJAB C[C@H]1C[C@@H](C)CN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)C1 12637082 OJRSOJFRMINXAG-GASCZTMLSA-N 402.541 4.718 0 40 HJAB CCC(CC)C(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cc(OC)ccc1OC 12779299 RMBCDBIFYHTGPC-JOCHJYFZSA-N 410.514 4.826 0 40 HJAB O=C(Nc1cc(Cl)ccc1C(=O)NCCc1cccs1)c1ccc(F)cc1 12914348 PLEJWSBRESEUGN-UHFFFAOYSA-N 402.878 4.765 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccccc1OCc1ccc(F)cc1 12940442 XIXDHNCIBPPWAY-UHFFFAOYSA-N 418.468 4.893 0 40 HJAB COC(=O)c1ccccc1NC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 13014656 NHRYZVQCYMHTDD-UHFFFAOYSA-N 419.264 4.654 0 40 HJAB Cc1cc(Cl)ccc1OCCCC(=O)N(C)CC(=O)Nc1cccc(C)c1C 13041404 OKTMPMJDRQNPMF-UHFFFAOYSA-N 402.922 4.521 0 40 HJAB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCC(=O)Nc1ccccc1 13056969 PFXDHDYMLOGYPA-XSFVSMFZSA-N 414.461 4.596 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(Cc2cccs2)CC1 13320505 UPEQXWRKVDNECG-UHFFFAOYSA-N 403.857 4.770 0 40 HJAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(C)cc1 14117471 WDLHDLZKLZPWMX-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(OCc2ccccc2)c1 15095674 HVPCIAPPSLNSDO-IBGZPJMESA-N 412.493 4.680 0 40 HJAB O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccccc1Cl 16841210 DENOHZHVTPBYSP-UHFFFAOYSA-N 412.877 4.920 0 40 HJAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)n[nH]c3C)cc2)c1 17093230 REZKGXCLSSUNPL-UHFFFAOYSA-N 422.554 4.533 0 40 HJAB Cc1nc(-c2ccc(Cl)cc2)c(CC(=O)N2CCCC[C@@H]2CN2CCCC2)s1 19240604 BONXSYKNIMUHOA-LJQANCHMSA-N 418.006 4.791 0 40 HJAB O=C(c1cc2ccccc2nc1C1CCN(Cc2cccc(F)c2)CC1)N1CCCC1 19376241 TUDIIWSGIBYANV-UHFFFAOYSA-N 417.528 4.990 0 40 HJAB COc1ccc2c(c1)C[C@H](C(=O)N1CCc3sccc3[C@@H]1c1cccs1)CO2 19562411 DLWDWVGFWSGDAG-YCRPNKLZSA-N 411.548 4.544 0 40 HJAB Cc1nc([C@H]2CCCCN2C(=O)C(C)(C)C)ncc1C(=O)Nc1ccc(Cl)cc1 19764858 GXDXBDVSCQYINR-GOSISDBHSA-N 414.937 4.790 0 40 HJAB COc1ccc([C@@H](CC(=O)N(Cc2ccccc2)c2ccc(C)cc2)NC(C)=O)cc1 21446571 BRYKRPROGUHMRK-RUZDIDTESA-N 416.521 4.804 0 40 HJAB COc1ccccc1OCCCCn1c([C@@H]2CCCN2C(C)=O)nc2ccccc21 21787457 ARSQANOVIXCKTB-NRFANRHFSA-N 407.514 4.588 0 40 HJAB Cc1cc(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCCCC2)no1 24648541 OLWTUMXHCIYUKN-UHFFFAOYSA-N 409.511 4.898 0 40 HJAB CC(=O)Nc1ccc(CNC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 24980047 JBCLGNCYWDAYNJ-UHFFFAOYSA-N 408.885 4.807 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)N(Cc2nc(-c3ccccc3Cl)no2)C(C)C)cc1 28218376 DYMFYRMMQMEWMJ-MRXNPFEDSA-N 413.905 4.903 0 40 HJAB C[C@@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cn1 28804136 RTSXTCFGEBMXOC-OXQOHEQNSA-N 418.928 4.965 0 40 HJAB CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCCC3)no2)cc1 32622806 YZQQEQRJTBQPGK-QHCPKHFHSA-N 419.525 4.616 0 40 HJAB CCCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1Cl 32624508 LAEBFOGHSYNOSW-JTQLQIEISA-N 409.269 4.754 0 40 HJAB CCOc1ccccc1-c1noc(CNc2cc(F)ccc2OCC(F)(F)F)n1 32754365 XPYJJYBGTXIDQH-UHFFFAOYSA-N 411.355 4.828 0 40 HJAB CCCN(Cc1coc(-c2ccc(OC)cc2)n1)S(=O)(=O)c1ccc(Cl)cc1 32906679 QQTHBBJKRZBUGA-UHFFFAOYSA-N 420.918 4.605 0 40 HJAB COc1ccc(OC)c(NC(=O)COc2ccccc2-c2nc3ccccc3s2)c1 32958135 CXJQAOYQHUMAMM-UHFFFAOYSA-N 420.490 4.998 0 40 HJAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1ccc(Cl)cc1 33671839 SOFUJFCSGFMOBE-UHFFFAOYSA-N 401.841 4.758 0 40 HJAB CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2O)N2C[C@@H](C)C[C@H](C)C2)cc1 36104859 CAGJIBIIVMKPNX-DOXZYTNZSA-N 414.575 4.525 0 40 HJAB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2Cl)C[C@H]1C(=O)O 42783108 JIXMZIQPVYLGGQ-WMZOPIPTSA-N 417.889 4.848 0 40 HJAB COc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 44907130 VJYRHBBQUUWNGN-UHFFFAOYSA-N 414.549 4.616 0 40 HJAB O=c1c(-c2ccc(Cl)cc2)coc2c3c(ccc12)OCN(Cc1cccnc1)C3 54313325 YLGJYBNBENDRQY-UHFFFAOYSA-N 404.853 4.861 0 40 HJAB biogenic CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(CCCOc2ccccc2F)C1 72352260 HZUIFJCHBPWMSV-MRXNPFEDSA-N 412.530 4.658 0 40 HJAB Clc1ccc(-c2nc3ccccn3c2CN2CCN(Cc3ccccc3)CC2)cc1 96190170 BLKIFCXYPPNLBL-UHFFFAOYSA-N 416.956 4.973 0 40 HJAB C[C@H]1C[C@@H](C)CN([C@H](c2ccccc2)c2sc3nc(-c4ccco4)nn3c2O)C1 102894120 UXNTVZZJUCUIIL-RVKKMQEKSA-N 408.527 4.824 0 40 HJAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c(OCC)c1 214340932 NZIDLUAOADUVFO-YBFXNURJSA-N 401.459 4.860 0 40 HJAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1Cl 220352314 NBUDWMUZKDGTQK-OAHLLOKOSA-N 408.951 4.565 0 40 HJAB COc1cc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)c(OC)cc1Cl 222608486 MCXVEZJBISGMLP-UHFFFAOYSA-N 404.253 4.720 0 40 HJAB O=C(CSCc1c(F)cccc1Cl)NCC1(c2ccccc2)CCOCC1 223168996 NVNAABRIICYVMS-UHFFFAOYSA-N 407.938 4.577 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 223315333 IIVXIOGHVRKRGY-HXUWFJFHSA-N 400.950 4.605 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3cccc(C)c3)cc2C)cc1 224090018 OZWFXHVGBWGBHU-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB CCN(Cc1ccc(C(=O)Nc2ccccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 224453666 WWODUNZYZQCFQS-UHFFFAOYSA-N 422.550 4.767 0 40 HJAB O=C(NCCc1ccc(F)cc1)C1CCN(Cc2cccc(Cl)c2Cl)CC1 224540727 RNDVGFVLIHDLSG-UHFFFAOYSA-N 409.332 4.703 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COCc1ccccc1 224749415 JRGHXDMEQSBEIO-UHFFFAOYSA-N 419.477 4.826 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 225208583 KLIDKIUIXFYJDT-MSOLQXFVSA-N 400.950 4.523 0 40 HJAB COc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225678884 QDAXXKVSTNGQHW-FQEVSTJZSA-N 424.585 4.693 0 40 HJAB CCOc1ccccc1-c1cc(-c2cc(CC(=O)O)ccc2OC)nn1CC(C)C 257218435 DDDUEAKKHPNORO-UHFFFAOYSA-N 408.498 4.908 0 40 HJAB CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(COc2ccccc2Cl)c(C(=O)O)s1 257272108 NBCIEQRAKDWCOD-CQSZACIVSA-N 422.934 4.783 0 40 HJAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257338931 YZMFPZKUTQEBGU-IBGZPJMESA-N 406.873 4.772 0 40 HJAB C[C@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)N[C@@H](C)c3ccccc3)n2)C1 260717763 PLYUOIFKGJRODQ-KBPBESRZSA-N 423.508 4.779 0 40 HJAB Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)o2)cc1 260919639 MQVJDJWZRIYNRY-VOQZNFBZSA-N 423.513 4.632 0 40 HJAB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)o2)cc1 408636974 DTKIKBVZNTVAPR-UHFFFAOYSA-N 418.478 4.579 0 40 HJAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(c2ccccc2F)C1 408706541 BBNBZBRFQYTKJY-NRFANRHFSA-N 416.496 4.517 0 40 HJAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(OC(C)C)cc2)S1 408809627 HOAUNRHJQUGCQP-UHFFFAOYSA-N 403.911 4.899 0 40 HJAB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3Br)n2C)cc1 409207110 RWTYUUNDPPXXFX-VZCXRCSSSA-N 401.329 4.874 0 40 HJAB O=C(NC1CCCCCC1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 640111 VJVMANVYODEASE-RUZDIDTESA-N 422.594 4.956 0 40 HJAB O=C(Nc1ccc(I)cc1C(F)(F)F)c1ccccc1F 679721 CRUIRTVRHKDAAG-UHFFFAOYSA-N 409.120 4.701 0 40 HJAB CCc1ccccc1N(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)cc1 817102 JHLMGBKPYKCEOP-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2C)cc1 906754 AUQCAJBTDKKKGX-AWEZNQCLSA-N 415.950 4.508 0 40 HJAB COc1cc(/C=C/C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC 2662604 RJMLGXJLEYJJLX-RUDMXATFSA-N 414.458 4.627 0 40 HJAB COC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc2c1CC[C@H](C(C)(C)C)C2 2741885 YZNIKPGSBQTWAR-HNNXBMFYSA-N 415.555 4.876 0 40 HJAB COc1cc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc(OC)c1OC 3264651 DEYWNVGZURQWNB-UHFFFAOYSA-N 410.904 4.803 0 40 HJAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 3636572 NUQVMKHNYPFRHH-HNAYVOBHSA-N 414.571 4.832 0 40 HJAB CCOc1ccc(C(=O)Nc2ccccc2OC(=O)c2ccc(OCC)cc2)cc1 4603218 CAMAHJPCXGATSA-UHFFFAOYSA-N 405.450 4.956 0 40 HJAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc2ccccc12 4742037 WWVLIWSKVOCZPP-QHCPKHFHSA-N 413.477 4.668 0 40 HJAB CCOc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1cccc(Br)c1 4852779 JGDVKQMHMMKLEM-DNVCBOLYSA-N 403.276 4.617 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2c(F)cccc2Cl)c1 5240091 OTPBAIOFDABFJC-UHFFFAOYSA-N 407.832 4.739 0 40 HJAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)NCCC1=CCCCC1 5333182 UXSPPHWGTRGJQM-OAHLLOKOSA-N 414.550 4.906 0 40 HJAB COc1cccc(-c2c(NC(=O)c3ccc(F)cc3)n(C)c3ccccc3c2=O)c1 5427399 PENYCRVKZBZRIT-UHFFFAOYSA-N 402.425 4.606 0 40 HJAB CCc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(C)c(Br)c2)cc1CC 5556987 HPCUKENXULVLKS-LJQANCHMSA-N 418.331 4.828 0 40 HJAB CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nc2c1c(=O)[nH]c(=O)n2CCCC 6567064 DOURJQAPQCACRF-UHFFFAOYSA-N 410.562 4.841 0 40 HJAB COc1ccc(N(CC(=O)c2ccc(Br)cc2)C2=NCCCC2)cc1 7275503 MQQJCECQAQUFTF-UHFFFAOYSA-N 401.304 4.729 0 40 HJAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 7436322 CCRAYUUTQYWJAX-UHFFFAOYSA-N 421.589 4.550 0 40 HJAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(Cl)cn1 7763674 KVFNXZSHLZJBKV-SNVBAGLBSA-N 405.936 4.509 0 40 HJAB CCOc1ccc2ccccc2c1CNn1c(-c2ccccc2OC)n[nH]c1=S 8325157 LVSGGHCOIROHHV-UHFFFAOYSA-N 406.511 4.912 0 40 HJAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O 8475457 KCVPRHJPNHANBK-OAHLLOKOSA-N 400.434 4.586 0 40 HJAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)o1 8571647 DUTWUCDXZHYBJW-UHFFFAOYSA-N 405.479 4.841 0 40 HJAB COc1ccc(-c2cc(NC(=O)Cc3ccc(NC(C)=O)cc3)ccc2OC)cc1 8876853 FZMYYRKMIVJUAE-UHFFFAOYSA-N 404.466 4.510 0 40 HJAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3c(F)cccc3Cl)cc21 8959670 XTGUPXQHFQALAI-UHFFFAOYSA-N 404.869 4.893 0 40 HJAB CCN1C(=O)c2cc(NC(=O)c3c(OC)cccc3OC)ccc2Oc2ccccc21 9134589 QFVZCRQUOUQGCK-UHFFFAOYSA-N 418.449 4.729 0 40 HJAB COc1ccc(CCN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc23)cc1OC 9355390 QSTQEOWCNNQEHJ-RUZDIDTESA-N 412.489 4.973 0 40 HJAB COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccco4)ccc3c2C)c1 9419724 NSUYYVRUTHFTTL-UHFFFAOYSA-N 405.406 4.835 0 40 HJAB biogenic Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2Cc2ccco2)cc1 9479503 SJMORFHXWIXQDL-UHFFFAOYSA-N 422.485 4.765 0 40 HJAB CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1cc(C)ccc1C 9646478 UZYQGBSVJKMHJD-UHFFFAOYSA-N 407.488 4.635 0 40 HJAB Cc1ccccc1-n1c(C)nnc1SCC(=O)N1CC[C@@H](C)Sc2ccccc21 9951599 XYMVQMNFGRLCHU-MRXNPFEDSA-N 424.595 4.894 0 40 HJAB O=C1Nc2ccc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)c3cccc1c23 11851817 NVMBCEQXRRDAMC-UHFFFAOYSA-N 416.458 4.999 0 40 HJAB C[C@@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)Cc1c(F)cccc1Cl 12084987 JDTZKCDOEVFRLG-NSHDSACASA-N 413.802 4.595 0 40 HJAB O=C(NCCc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Br)cc1 12344127 SZOXLALZWHKJHB-OAQYLSRUSA-N 424.342 4.608 0 40 HJAB CCc1ccccc1NCCN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 12413591 VWFIHZYFGCPFFZ-UHFFFAOYSA-N 420.884 4.799 0 40 HJAB O=C1C[C@@H](c2ccc(F)cc2)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 12429148 ZWFZANOZPLGGOS-HNNXBMFYSA-N 421.902 4.848 0 40 HJAB O=C(c1cccc(Oc2ccccc2)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 12584327 VJPUHFHSETVSAQ-UHFFFAOYSA-N 413.477 4.599 0 40 HJAB Cc1cccc(N2CCN([C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)CC2)c1C 13069438 BOANBAZPCYKHCF-MRXNPFEDSA-N 406.357 4.759 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)[C@H](Sc1ncnc2nc[nH]c12)c1ccccc1 13572801 JYAIOCCHWYIJHJ-QGZVFWFLSA-N 409.902 4.787 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 13579496 UMZJRZSKYFGALV-GJQHCVRFSA-N 421.500 4.917 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1 13716613 UCFCKMUZVUDADM-UHFFFAOYSA-N 414.914 4.521 0 40 HJAB CSc1nsc(S[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)c2ccccc2)n1 13945449 MJKNATRWJFYKLY-MRXNPFEDSA-N 415.565 4.935 0 40 HJAB COc1ccc(CN(Cc2cccs2)C(=O)c2ccc(F)cc2F)cc1OC 14093118 BDALGLRSHXZSBH-UHFFFAOYSA-N 403.450 4.886 0 40 HJAB O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc12)NCc1cccs1 14170030 ARUFJWUHPIKNBL-UHFFFAOYSA-N 415.540 4.967 0 40 HJAB O=C(CSc1nc2ccccc2s1)NCc1cc(Cl)c2c(c1)OCCCO2 14196737 XMTMKVSDSIYYSJ-UHFFFAOYSA-N 420.943 4.520 0 40 HJAB CCOc1cc(C[C@@H]2C(=O)N(CC)c3ccccc32)c(Br)cc1OC 15018010 NSNHFDLJQCGXFD-HNNXBMFYSA-N 404.304 4.549 0 40 HJAB C[C@@H]1CCc2onc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3Cl)c2C1 19497151 GZPLVRMGVWWROI-KUHUBIRLSA-N 424.932 4.505 0 40 HJAB COc1cccc([C@@H]2CN(Cc3oc4ccccc4c3C)C[C@]23CCCCC(=O)N3)c1 19566409 HYICUMSQDVBMDY-BKMJKUGQSA-N 418.537 4.778 0 40 HJAB COc1cccc([C@H]2CCCN2C(=O)CCc2c(C)nn(-c3ccccc3)c2C)c1 19717247 LLWAIYJFSQRORY-XMMPIXPASA-N 403.526 4.794 0 40 HJAB O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1ccc2[nH]nnc2c1 25180215 MMUROCRBJRWLCK-QGZVFWFLSA-N 415.884 4.655 0 40 HJAB COc1ccc(-c2nn(-c3ccccc3)cc2CNC(=O)NC2CCCCC2)cc1 27516673 BPZKWSLCMCVDJQ-UHFFFAOYSA-N 404.514 4.680 0 40 HJAB O[C@]1(c2ccc(Br)cc2)CN(c2cccc(Cl)c2)C2=[N+]1CCCCC2 27525090 NDCDPNYUIRTFLH-FQEVSTJZSA-N 420.758 4.753 0 40 HJAB Cc1c([C@H](C)NC(=O)c2ccc(Cl)nc2)cnn1-c1cccc(C(F)(F)F)c1 32765255 LVKVVKGOSPVMNP-NSHDSACASA-N 408.811 4.739 0 40 HJAB Cc1cc(NC(=O)Cc2noc3ccccc23)n(-c2cccc(C(F)(F)F)c2)n1 32902884 ZHJCYEVDSSORKW-UHFFFAOYSA-N 400.360 4.522 0 40 HJAB O=C(NCCc1ccccn1)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 36618306 GOCRQJGZEVXHIE-UHFFFAOYSA-N 402.885 4.560 0 40 HJAB Cc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 38833483 XUXJFQGVMNPPDJ-UHFFFAOYSA-N 401.348 4.917 0 40 HJAB COC(=O)c1cc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)ccc1Cl 39751387 YNKYCCCIAPSYSM-UHFFFAOYSA-N 421.324 4.631 0 40 HJAB CCc1cccc(C)c1N(C(=O)Cn1c(C2CC2)nc2ccccc21)[C@@H](C)COC 39907687 GNLWFQSCSUUJLB-SFHVURJKSA-N 405.542 4.853 0 40 HJAB C[C@H]1CCCC[C@H]1N1C(=O)[C@@H](CC(=O)Nc2ccccc2)n2c1nc1ccccc12 39964057 ARQJGEPDWWYSNZ-LDQXTDLNSA-N 402.498 4.532 0 40 HJAB CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 44803639 TWDQTYKYGMXNMH-OAHLLOKOSA-N 410.905 4.537 0 40 HJAB CSc1nnc(CSc2nc3scc(-c4cccs4)c3c(=O)n2C)s1 48279387 FUNNSVXFIQDOBZ-UHFFFAOYSA-N 424.623 4.589 0 40 HJAB O=C(c1cc(F)ccc1F)C1CCN(C(=O)Nc2nc3ccccc3s2)CC1 56323961 OKZPDWHWQAKADO-UHFFFAOYSA-N 401.438 4.701 0 40 HJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)NCc1ccccc1 57911351 PIXUEOAHCBGDTQ-MRXNPFEDSA-N 408.523 4.709 0 40 HJAB Cc1cccc(-n2c(=O)c3sccc3n(Cc3cccc(C(F)(F)F)c3)c2=O)c1 67258168 JTYNWXMCLPIYHH-UHFFFAOYSA-N 416.424 4.589 0 40 HJAB Cc1cc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)ccc1Cl 67299348 ADWBLQVWRCVRKY-LVWGJNHUSA-N 408.841 4.856 0 40 HJAB COc1ccccc1CNc1ncc(-c2ccc3c(c2)OCO3)c(-c2cccnc2)n1 72339496 TZSOUBMCBCHTPU-UHFFFAOYSA-N 412.449 4.555 0 40 HJAB C[C@H]1Cc2cc(CN3CCC[C@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 72398623 SWRULZWHTDBBPH-WXVUKLJWSA-N 421.585 4.521 0 40 HJAB COc1ccc2[nH]c(=O)c(/C=C3/SC(=O)N=C3Nc3ccc(Cl)cc3)cc2c1 80330217 YMRCDVFIBMUEES-LICLKQGHSA-N 411.870 4.908 0 40 HJAB Cc1ncc(COc2ccccc2)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc12 95477641 ULDFEBYYFFJZDI-UHFFFAOYSA-N 401.418 4.717 0 40 HJAB Cc1nc([C@H]2CCCCCN2C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)no1 96001123 GCXSRBXZSFKMSX-GOSISDBHSA-N 421.526 4.844 0 40 HJAB O=C(NCCc1cccnc1)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1 96154369 KNGVGJPXQKKVOA-UHFFFAOYSA-N 416.462 4.579 0 40 HJAB N=c1oc2ccccc2cc1Sc1nc2ccccc2c(=O)n1-c1ccccc1F 98212133 YBWVMUZQQFOZEL-UHFFFAOYSA-N 415.449 4.902 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc(Cl)c4)[C@H]3C2=O)cc1 101056839 WNDKNSZFOUQZQR-VSKRKVRLSA-N 418.880 4.700 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)Nc1cccc(Cl)c1 108902488 JWHHJZSCUQNBRE-OVCLIPMQSA-N 407.278 4.668 0 40 HJAB CCO[P@](=O)(O)[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O 118931820 YTHYJGZYFUJIFJ-XKMUXQCMSA-N 424.518 4.716 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(C)ccc3C)cc2)c(C)c1 225051822 YTYSEACIUKOEAJ-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc(C)c1Cl 225156901 BJVHTPYHMHFRFW-UHFFFAOYSA-N 404.919 4.932 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 225218341 MRNYXWARRSBGRE-DEOSSOPVSA-N 424.560 4.933 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 225574033 IZDCASODRIEZOS-URXFXBBRSA-N 424.585 4.713 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 225608185 RZIKDQFAUIROHJ-GCJKJVERSA-N 414.977 4.913 0 40 HJAB CC(C)n1cc(CN2CCC[C@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)cn1 306130629 JLNMDLPSEZSXKX-NRFANRHFSA-N 418.520 4.692 0 40 HJAB O=C(O)c1cccc(-n2cccc2/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1 409124202 AHEUGOICARJCOF-CPNJWEJPSA-N 410.495 4.792 0 40 HJAB Cc1ccc(CN2C(=O)CC[C@@]23CCCN(c2ncc4sccc4n2)CC3)cc1 585100606 PKEVEDFXLSEDEW-HSZRJFAPSA-N 406.555 4.551 0 40 HJAB O=C(c1cnn2ccccc12)N1CCC2(CC1)CN(c1ccccc1)c1ccccc12 2055745521 GTFWOAZALDUGGG-UHFFFAOYSA-N 408.505 4.660 0 40 HJAB CC(C)COC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)OCC(C)C 822362 RKFQXNUDFLXOKP-MXXWWZHRSA-N 406.522 4.908 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(CNc3cccc(C(F)(F)F)c3)C2=O)cc1 975890 JUOWQLYRWKPKIH-CXUHLZMHSA-N 408.401 4.820 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1c1nccs1 2400254 HNTFMKPNYPDJBX-INIZCTEOSA-N 412.829 4.792 0 40 HJAB O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1ccc2ccccc2c1 2633801 RXVVIVAULNCWFF-UHFFFAOYSA-N 404.491 4.954 0 40 HJAB FC(F)[C@H]1C[C@H](c2ccccc2)Nc2c(-c3nc4c5ccccc5ncn4n3)cnn21 2806319 YSZSLBOOIXMFIT-QZTJIDSGSA-N 417.423 4.504 0 40 HJAB O=C(NCCOc1ccccc1Cc1ccccc1)c1ccc(Br)cc1 3092185 CEMYAUHKTWBJSF-UHFFFAOYSA-N 410.311 4.849 0 40 HJAB FC(F)(F)c1cccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)c1 3355792 ZLPYFNNIQVDCTJ-UHFFFAOYSA-N 417.416 4.688 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 3403802 IVOAJLKJIMZHQH-CQSZACIVSA-N 408.329 4.508 0 40 HJAB COc1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccccc2OC)cc1 4061420 GRPDIUHLLNROLW-LMKUQVRJSA-N 421.537 4.612 0 40 HJAB biogenic Cc1cccc(N2CCN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)c1C 5483759 KCZSCIMVOKEJAC-UHFFFAOYSA-N 412.331 4.510 0 40 HJAB CCOc1ccc(C(C)=O)cc1CSc1nnc2c3ccccc3n(CC)c2n1 5490619 AREIZJLDKJODFQ-UHFFFAOYSA-N 406.511 4.893 0 40 HJAB Cc1cc(C(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)c(C)s1 5768632 DLPOQUCMBDCQSV-UHFFFAOYSA-N 409.301 4.516 0 40 HJAB COc1cc(CN(C)C(=O)Cc2coc3cc4c(cc23)CCC4)ccc1OC(F)F 6548745 FLIJVVCLWLQBDJ-UHFFFAOYSA-N 415.436 4.733 0 40 HJAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cccc3ccccc23)c1 6784506 SNLXFGYCDPVOEF-UHFFFAOYSA-N 416.502 4.917 0 40 HJAB Cc1ccccc1NC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2NC12CCCCC2 6811748 OJNANKDKLALJAE-LJQANCHMSA-N 419.554 4.613 0 40 HJAB biogenic Cc1ccc(Sc2ncccc2C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 7842667 JCIVGELMEAWVMF-UHFFFAOYSA-N 405.523 4.630 0 40 HJAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCCc1ccc(F)cc1 8077572 GGYUTJOLTRPIDB-UHFFFAOYSA-N 415.468 4.660 0 40 HJAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccc(F)cc3)cc21 8959955 HGKHCKMJJAFQMX-UHFFFAOYSA-N 412.505 4.805 0 40 HJAB CC(C)[C@H]1C[C@@](CC(=O)NCc2cccnc2)(Cc2ccccc2Cl)CCO1 8991410 FANDUUSCAJXVCM-GGAORHGYSA-N 400.950 4.805 0 40 HJAB O=C(COCc1nc2ccccc2s1)N[C@H](c1ccc(F)cc1)c1cccs1 10291806 LMNURQMDEXVURT-OAQYLSRUSA-N 412.511 4.919 0 40 HJAB O=C(C1c2ccccc2Oc2ccccc21)N1[C@H]2CC[C@@H]1CC(O)(c1ccco1)C2 12114619 XJZKHIMCXMYMMI-BXQQJGBQSA-N 401.462 4.558 0 40 HJAB O[C@H]1CC2(CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)Oc2c1ccc1ccccc21 12329859 JPDYXERKSBHLFN-GOTSBHOMSA-N 423.940 4.877 0 40 HJAB COc1cc(C(=O)Nc2sc(SC)nc2-c2ccccc2)cc(OC)c1OC 12442797 ZMBWQSOHGILJGE-UHFFFAOYSA-N 416.524 4.810 0 40 HJAB C[C@H](Sc1nnc([C@H](C)Oc2ccc(F)cc2)o1)C(=O)N(C)C1CCCCC1 12982375 PGHVFPZTMDBHRN-KBPBESRZSA-N 407.511 4.620 0 40 HJAB COc1ccc(-c2nc(CC(=O)Nc3cccc(OC(F)(F)F)c3)cs2)cc1 13688555 MTZXTEYQQMHJDQ-UHFFFAOYSA-N 408.401 4.899 0 40 HJAB COc1ccccc1-c1c(C)nn2c3c(nnc12)C(=O)C[C@@H](/C=C/c1ccccc1)C3 14607718 WPVGECBTHZOZSF-HHNLSAEISA-N 410.477 4.567 0 40 HJAB O=C(CCCCCCCCCCN1C(=O)c2ccccc2C1=O)Nc1ccccn1 15081076 ATLVPVDZYNNXSN-UHFFFAOYSA-N 407.514 4.827 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 15960978 JRNUTGJECWHAGN-UHFFFAOYSA-N 422.550 4.889 0 40 HJAB O=C(Nc1cccc(Cl)c1)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1 15987541 GTUGKUPCBJFFQT-UHFFFAOYSA-N 424.913 4.872 0 40 HJAB Clc1ccc(-c2cs/c(=N\c3ccccc3)n2CCCN2CCOCC2)cc1 16711403 GYNFQLMJKUOZCO-GYHWCHFESA-N 413.974 4.825 0 40 HJAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CCCC[C@H]2C)cc1 17091284 ULCOKLBVHZZEAA-CQSZACIVSA-N 417.962 4.854 0 40 HJAB Cc1nc(-c2cccc(NC(=O)COC(=O)c3cc(C)n(C4CC4)c3C)c2)cs1 17131680 PIJREMOCTAJZKV-UHFFFAOYSA-N 409.511 4.667 0 40 HJAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 19236826 MHGQPPKWKXRZQY-OFVILXPXSA-N 417.528 4.912 0 40 HJAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1ccc(F)c(F)c1F 21533467 HIEJILNRJTVHCU-UHFFFAOYSA-N 411.836 4.982 0 40 HJAB O=C(Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1)C1CCOCC1 23272955 KRCPGLQDGCQZHP-UHFFFAOYSA-N 404.841 4.771 0 40 HJAB O=C(COc1ccc(F)cc1)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 27749315 WDNLIRPDUPWQOR-NRFANRHFSA-N 404.913 4.591 0 40 HJAB O=C(NCc1cccc(NC(=O)c2ccco2)c1)NCC12CC3CC(CC(C3)C1)C2 28408802 VXHJESKGZFIWEU-UHFFFAOYSA-N 407.514 4.548 0 40 HJAB Cc1sc(NC(=O)CC2(CC(=O)O)CCCCC2)c(C(N)=O)c1-c1ccccc1 28900094 VKPNFVLQDBDXPU-UHFFFAOYSA-N 414.527 4.576 0 40 HJAB COc1ccc(OC)c(CCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 29840449 HSGAMTASOFFVAR-XMMPIXPASA-N 401.506 4.811 0 40 HJAB CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1 32602325 WXVCOKCEFVUGTE-UHFFFAOYSA-N 414.571 4.553 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(F)ccc2Br)c(OC)c1 32747574 SFWFCPXKATUFGB-KRWDZBQOSA-N 408.267 4.583 0 40 HJAB Cc1ccc(-c2noc([C@H](C)N3CCN(c4nc5ccccc5s4)CC3)n2)cc1 32824994 KYTIWXUDGJNXME-INIZCTEOSA-N 405.527 4.538 0 40 HJAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cn(C(C)C)c4ccccc34)C2=O)o1 33507137 PFFFVDUKPZHQRZ-VXLYETTFSA-N 424.478 4.838 0 40 HJAB Cc1ccc(CSc2nnc(CNC(=O)c3ccc(Cl)c(Cl)c3)n2C)cc1 34837645 NLTAPTBCYCYKFR-UHFFFAOYSA-N 421.353 4.653 0 40 HJAB O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)Sc1nc2ccccc2s1 36633812 OFEFYVWRXQPQQS-GDNBJRDFSA-N 412.517 4.652 0 40 HJAB COc1ccc(NC(=O)c2sc(N(Cc3ccco3)C(C)=O)nc2C)cc1Cl 44920629 NCUCDVCUDKMHTB-UHFFFAOYSA-N 419.890 4.512 0 40 HJAB Cc1cc([C@@H]2CCCN2C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)on1 47265324 BLKJBBXHEKXXCY-INIZCTEOSA-N 417.918 4.958 0 40 HJAB CCCCOc1ccc2cc(C(=O)N(C)Cc3ccc(Br)o3)[nH]c2c1 57992816 HKZNHVAZCHQJCI-UHFFFAOYSA-N 405.292 4.975 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3C)CC2=O)cc1Cl 59227210 KJRYLUVXCFGNSY-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB CC[C@H](C)n1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2cc(C)[nH]c2c1=O 67238943 XRSRTYNWFXMQQA-NSHDSACASA-N 422.913 4.527 0 40 HJAB CCOc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)cc1 67294276 XTRZAYYXFOIVCD-LCUIJRPUSA-N 415.449 4.725 0 40 HJAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)cc1 68713051 VSMPXYBCFSNKOQ-XMMPIXPASA-N 405.881 4.656 0 40 HJAB CCCS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H]2[C@@H](CC)c2ccccc2)c1 71844264 OEYVDVBDVBBOAE-VXKWHMMOSA-N 414.571 4.637 0 40 HJAB O=C(c1cccnc1SC(F)(F)F)N1CCCc2cc(OC(F)F)ccc21 84358163 WQFUZYNMGQEOCL-UHFFFAOYSA-N 404.360 4.888 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(Oc3ccccn3)c2)CC1 96122694 ITXPMADTJFKTKZ-UHFFFAOYSA-N 407.901 4.798 0 40 HJAB COC(=O)/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)c1ccccn1 96126344 MRSQCJYOHUQJCZ-JWGURIENSA-N 411.461 4.657 0 40 HJAB O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 169708671 BZDAXARBZUSXCH-YITRRFDTSA-N 402.538 4.892 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3cc(C)ccc3C)cc2)c1 216246614 HDBVQEIFRICISD-UHFFFAOYSA-N 408.523 4.594 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219751040 IWGRQHMDQPRBGG-IBGZPJMESA-N 420.962 4.564 0 40 HJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)O)cc2C)o1 222896247 VYTBMNKKJHYXCJ-LEWJYISDSA-N 421.522 4.731 0 40 HJAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 223476342 BECUOWBRNYBLQP-DEOSSOPVSA-N 404.485 4.622 0 40 HJAB COc1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc23)c(Cl)c1Cl 223719382 AFQCZFOSPFVFPK-UHFFFAOYSA-N 410.322 4.976 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1C1CCCC1 225005965 PVGYBNMJBLMGFU-CVEARBPZSA-N 408.390 4.821 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 225139479 JCTYEAWCFCWGAX-GOSISDBHSA-N 400.950 4.606 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 225172383 VVWLLBDYJGFYGJ-SJORKVTESA-N 418.990 4.764 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 225574087 XTHQBFAXTQLYTP-ZJSXRUAMSA-N 424.585 4.876 0 40 HJAB CC(C)(C)C(=O)N1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 248245569 GUHKWTAWVRWMOF-NWANDNLSSA-N 400.489 4.579 0 40 HJAB CN(CCCc1nc(N2CCC[C@@H]2c2ccccc2)ncc1C(=O)O)c1ccccc1 257212457 CDLVKSPUMLTWRI-HSZRJFAPSA-N 416.525 4.585 0 40 HJAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c(C)cc1Br 408641103 JRQNNAZUFFDRKC-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB Cc1cccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccc(Br)cc2)c1 408845391 WJQPCOPNQOWXBU-XSFVSMFZSA-N 418.294 4.987 0 40 HJAB Cc1ccc(NC(=O)Cc2nnc(SCc3ccc(Cl)cc3Cl)n2C)cc1 409331245 MXXBCSHHHSRDLM-UHFFFAOYSA-N 421.353 4.904 0 40 HJAB CCN(C(=O)c1c[nH]nc1C1CCC(CNC(=O)CC(C)(C)C)CC1)c1ccccc1 2037834444 FTSBXQOVINDRDA-UHFFFAOYSA-N 424.589 4.903 0 40 HJAB COc1ccc([C@H]2C[C@](C)(NC(=O)C(C)C)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1CN(C)C 2037843739 GXKQVRVCPBOHIS-IEPCMUHPSA-N 416.606 4.554 0 40 HJAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cccc(Cl)c1 684280 PGNXPSCQXNRXQI-LJQANCHMSA-N 412.902 4.748 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Br)c3)o2)cc1 873468 JRYWYGDNQAKPFR-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB COc1ccc(NC(=O)CSc2nc(C)nc3sc4c(c23)CC[C@H](C)C4)cc1 1326111 QKMNESWYTPIYNE-LBPRGKRZSA-N 413.568 4.864 0 40 HJAB CCOc1ccccc1CN(Cc1ccco1)C(=O)c1cc2ccccc2oc1=O 1330119 LUSUOQHQBVTASH-UHFFFAOYSA-N 403.434 4.627 0 40 HJAB Cc1cccc(-c2cc3nc4c(c(N5CCN(c6ccccc6)CC5)n3n2)CCCC4)c1 1341571 AALPIYPPWXYCKT-UHFFFAOYSA-N 423.564 4.910 0 40 HJAB CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4c(F)cccc4Cl)c(=O)c23)C1 1785000 DHZYUZGXPFCCSJ-NSHDSACASA-N 405.926 4.845 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1C 2409460 QWZHLKAIERWUQL-UHFFFAOYSA-N 424.551 4.996 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1ncc(C(F)(F)F)cc1Cl 3304705 WTQPHZLNEWPXDC-UHFFFAOYSA-N 420.840 4.850 0 40 HJAB COc1ccc(-c2nc(NC(=O)CSc3nc4ccccc4[nH]3)sc2C)cc1 3315146 AIJOHPSQZHJYMI-UHFFFAOYSA-N 410.524 4.734 0 40 HJAB COc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1 3337532 VTKIXRHLAWLEFK-UHFFFAOYSA-N 410.853 4.967 0 40 HJAB CCOC(=O)CC[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 4073927 ZFVNCIMEWULGEX-IDKFIGPBSA-N 420.634 4.956 0 40 HJAB biogenic CCC(=O)Nc1cccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc3ccccc32)c1 4127246 OOCSFZDEPLKUCN-UHFFFAOYSA-N 416.456 4.830 0 40 HJAB CCCN(CC1CC1)C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 4835745 KQXZHDLVZXGKSZ-UHFFFAOYSA-N 412.584 4.737 0 40 HJAB CC(C)Sc1nc2sc3c(c2c2nnc(SCCN(C)C)n12)[C@@H](C)CCC3 5556566 XNRKNWWODPFFLO-LBPRGKRZSA-N 421.661 4.933 0 40 HJAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C 6531994 XHPWRHFCTNCPAL-IRXDYDNUSA-N 418.566 4.662 0 40 HJAB Cc1nc2ccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2s1 6558472 ZPJNEMHQJWODGZ-UHFFFAOYSA-N 411.552 4.572 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)c(C)c1 7928075 GJFCSSMPPGPABG-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB CC(=O)c1cccc(OCC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)c1 8395063 KCVFCHKQIOQSCW-UHFFFAOYSA-N 420.534 4.837 0 40 HJAB C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(c2nc3ccccc3s2)CC1 8533016 MTFYEZFNNIKGAW-CYBMUJFWSA-N 400.935 4.551 0 40 HJAB O=C(Nc1ccc(F)cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 9465392 TZVCPKPPVSVOHG-UHFFFAOYSA-N 419.865 4.924 0 40 HJAB COc1ccc(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)cc1OC 9599993 GOHWFCMBNAUKGM-UHFFFAOYSA-N 421.931 4.753 0 40 HJAB Cc1cc(-c2cnc(N3CCC(c4ccncc4)CC3)nc2-c2ccoc2C)on1 12223063 KXKACYDPTGNEAT-UHFFFAOYSA-N 401.470 4.787 0 40 HJAB Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(Cc3cccc(Cl)c3)C2=O)cc1C 12594920 IVQRZDDZLQEYEO-XMMPIXPASA-N 404.897 4.952 0 40 HJAB COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 12774425 PRLYEIIFLBVHOT-SXSDINLZSA-N 424.522 4.699 0 40 HJAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3cccc(Br)c3)ccc12 12780112 UBMHNBLZPUSEFV-GFCCVEGCSA-N 416.271 4.524 0 40 HJAB CCc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 12780385 KGOGHFTYNHQZEU-LJQANCHMSA-N 416.521 4.902 0 40 HJAB CN(Cc1nc2ccccc2s1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 12981846 CZNHKHZTWOKAOC-UHFFFAOYSA-N 420.865 4.789 0 40 HJAB C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(F)cc1 13022681 WWOTZKKWCDQLOM-KRWDZBQOSA-N 404.485 4.709 0 40 HJAB C[C@@H]1C[C@@H](N(c2ccccc2)S(C)(=O)=O)c2ccccc2N1C(=O)c1ccccc1 14607296 RSHDVNNVMVTUMA-WZONZLPQSA-N 420.534 4.633 0 40 HJAB Cc1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2nc(-c3cccs3)cs2)n1 17012057 OYRSJBLJTYOHSK-UHFFFAOYSA-N 402.451 4.896 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3C)c2)cc1 17091157 BBLXAEAUFDEMSL-UHFFFAOYSA-N 417.534 4.937 0 40 HJAB CC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 17987452 UZIIVAVUVWZCIQ-SFTDATJTSA-N 403.478 4.659 0 40 HJAB CC(C)CC(=O)N1CC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19446257 UYXPOGRYRQKUIP-SFHVURJKSA-N 419.504 4.783 0 40 HJAB C[C@H]1C[C@H]1C(=O)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 19462920 JXUSBFUBPTVGAD-LAUBAEHRSA-N 413.525 4.644 0 40 HJAB CC1CCN(C(=O)c2cc([C@H]3CCCN(Cc4ccccc4Cl)C3)no2)CC1 19496761 AXTQJAJKVWKLGU-SFHVURJKSA-N 401.938 4.580 0 40 HJAB COc1ccc2oc(C(=O)N(Cc3cccnc3)Cc3ccccc3OC)cc2c1 19563575 OGJTZTJASOVBNT-UHFFFAOYSA-N 402.450 4.688 0 40 HJAB CC(C)c1nnc(CCC(=O)N2CCC[C@@H]2c2ccc(Cc3cccc(F)c3)cn2)o1 19688473 MRFSLIROPXPCSF-OAQYLSRUSA-N 422.504 4.614 0 40 HJAB O=C(NCc1cccnc1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 20729418 PRKGGFKOQDFPJA-HSZRJFAPSA-N 417.553 4.583 0 40 HJAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cccc(NC(=O)c2cccs2)c1 24842849 HIMWXWYHVKPZGR-UHFFFAOYSA-N 412.486 4.810 0 40 HJAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)CCC(=O)c1ccccc1 27630716 ATEDZCAISZELER-UHFFFAOYSA-N 402.498 4.582 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 27973139 VNRLWLQVTAGSBT-AWEZNQCLSA-N 401.388 4.530 0 40 HJAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2c[nH]nc2-c2ccccc2)cc1 31078983 QIAJFCMIBSTPTI-UHFFFAOYSA-N 410.521 4.735 0 40 HJAB CCc1c(C)sc2c1c1nc(-c3ccco3)nn1c(=O)n2Cc1ccc(Cl)cc1 32094856 TYUKPSVJQAJQKE-UHFFFAOYSA-N 424.913 4.938 0 40 HJAB Cc1nc(-c2cccs2)c(CC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)s1 32739409 UNSBCCJYXLIDES-CQSZACIVSA-N 423.567 4.523 0 40 HJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 32841458 BFKNQCSPKPFQHX-UHFFFAOYSA-N 419.443 4.947 0 40 HJAB CCCOc1ccc(-c2noc(Cc3nc(-c4ccc5c(c4)OCO5)cs3)n2)cc1 33298242 UHXCCUDLJXYMAL-UHFFFAOYSA-N 421.478 4.968 0 40 HJAB Nc1cc(Br)ccc1NC(=O)c1cc(Br)ccc1Cl 37287625 RDNMZOCCVJAIJQ-UHFFFAOYSA-N 404.489 4.700 0 40 HJAB CC(C)c1noc(CCCC(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)n1 40133710 GMMSIGQHPBBJPW-UHFFFAOYSA-N 414.893 4.782 0 40 HJAB CC(C)(C)C[C@H](NC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 43946946 WJBKOQWHLUZHRF-FQEVSTJZSA-N 415.559 4.526 0 40 HJAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)C1 45887714 HGJAGDHXBNKMAB-LBPRGKRZSA-N 419.264 4.718 0 40 HJAB Cc1ccc2c(Nc3ccc(Cl)c(F)c3)c(C(=O)N3CCSCC3)cnc2n1 49004965 OOBOJIDPJZZDAA-UHFFFAOYSA-N 416.909 4.663 0 40 HJAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(Br)cc2)[nH]n1 57477217 KKNOXKTZZNRGCH-UHFFFAOYSA-N 424.220 4.788 0 40 HJAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cc(Br)cnc1Cl 58245110 WUECFQXINSAYHY-LBPRGKRZSA-N 401.688 4.604 0 40 HJAB COc1ccc(Cl)cc1C(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200126 MPWVUKVFPAIHQI-DLBZAZTESA-N 402.878 4.638 0 40 HJAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1ccc(Cn2cncn2)cc1 95477443 KXEFTHOBNJOZCZ-HXUWFJFHSA-N 419.916 4.594 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 95482458 UVNPTOIOWYQKDK-KRWDZBQOSA-N 420.296 4.859 0 40 HJAB O=[N+]([O-])/C(=C\Nc1ccccc1)c1nnc(C(F)(F)F)n1-c1ccc(Cl)cc1 100472827 TVNYTDYQSBVSES-UVTDQMKNSA-N 409.755 4.627 0 40 HJAB C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1ON(c1ccccc1)[C@H]2c1ccccc1 102697247 JRYISFBJRDAFHH-HFMPRLQTSA-N 418.880 4.781 0 40 HJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@]2(O)CCN 118926649 RQLXCBXLAWPNRI-YQNXASARSA-N 417.634 4.941 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](O)([C@@H](C)OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 118928459 RHKDPTWPOLFLCS-DROYBJRHSA-N 418.574 4.564 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 216446022 ZMOLPTWFMYFZNN-UHFFFAOYSA-N 412.486 4.750 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCOc1ccccc1 222599193 SEGAFTYRYIDKLL-XUZZJYLKSA-N 424.585 4.610 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 223046081 UPYJVVZQDRWWJL-HXUWFJFHSA-N 412.599 4.562 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1C 223928765 OOSHWQNAWOFZSL-SFHVURJKSA-N 408.523 4.595 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 224228677 IEMNRTZJMJBFDP-IBGZPJMESA-N 414.977 4.771 0 40 HJAB CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1COc1cccc2ccccc12 224635655 AXXDDCYHCHIDIO-UHFFFAOYSA-N 418.537 4.595 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 225028981 NRFQJEDTVNFPQP-DEOSSOPVSA-N 406.570 4.794 0 40 HJAB Cc1ccc(SCc2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2)cc1 225238852 DKZREEHBFJEIOL-FQEVSTJZSA-N 405.519 4.857 0 40 HJAB CC(C)Oc1ccc(NC(=O)C2(C3(C(=O)N4CCCC4)CC3)CC2)c2ccccc12 225926212 SMMWLIZTWKYPRP-UHFFFAOYSA-N 406.526 4.748 0 40 HJAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)C1(c2ccc(Cl)cc2)CCCC1 253472915 QPVNVOYLLMQRQF-JOCHJYFZSA-N 415.942 4.859 0 40 HJAB COc1ccc(CN2CCC3(CC2)Oc2c(OC)cccc2[C@H]2OCCC[C@@H]23)cc1 257274740 NMKNTCCWTBFZMX-JTHBVZDNSA-N 409.526 4.599 0 40 HJAB CCOc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)c1ccc(Br)cc1 408538150 YVUOUDQCLANCIM-BENRWUELSA-N 406.232 4.705 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)cc1 408641325 JXGATEGDILLNBW-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)cc1 408694501 JSBMEFHSEVJCNM-UHFFFAOYSA-N 416.456 4.951 0 40 HJAB C[C@@H](NC(=O)c1ccc(CN2CCC(CO)CC2)cc1)c1cccc2ccccc12 511851224 XOZPDSNMPCRAMZ-LJQANCHMSA-N 402.538 4.535 0 40 HJAB COc1ccc([C@H](NC(=O)NCCn2cc(C(C)=O)c3ccccc32)C(C)C)cc1 604419567 LDIXGPJKZVWPDD-HSZRJFAPSA-N 407.514 4.549 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(Cl)cc1 648284 YDSIEHRTXWIOJL-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(F)c(Cl)c2)cc1C 663913 BXMTVDVVHTYNAL-UHFFFAOYSA-N 404.898 4.716 0 40 HJAB CCN(C(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc(OC)cc2)cs1 929082 MVMYJGYYNUULFL-UHFFFAOYSA-N 402.903 4.904 0 40 HJAB CCc1ccccc1-n1ncc(-c2nn3c(-c4cccc(F)c4)nnc3s2)c1C 1018185 DLRMRVAOYAKZLN-UHFFFAOYSA-N 404.474 4.715 0 40 HJAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 1246952 WDTMAFQMBUBRPT-HXUWFJFHSA-N 421.884 4.665 0 40 HJAB O=C1[C@H](Oc2ccccc2)[C@H](c2ccc3c(c2)OCO3)N1CCc1ccc(Cl)cc1 1444360 YLVRYGJTBCEPLF-XZOQPEGZSA-N 421.880 4.642 0 40 HJAB CCCCCn1c(N)c(C(=O)NCc2ccc(C)cc2)c2nc3ccccc3nc21 2246943 FKZZZXPABMVYPM-UHFFFAOYSA-N 401.514 4.595 0 40 HJAB CC(=O)c1sc2ccccc2c1OC(=O)c1ccc(I)cc1 2280186 UIIBLHSGXLEPIJ-UHFFFAOYSA-N 422.243 4.928 0 40 HJAB CCc1ccc(-n2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)cc1 2312633 DVCBKIDQVFIOHJ-UHFFFAOYSA-N 421.504 4.648 0 40 HJAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 2795763 VDWZUUOYTFQLFV-GFCCVEGCSA-N 420.962 4.731 0 40 HJAB O=C1[C@@H](Cc2ccccc2)N=C2c3ccccc3N=C(SCc3ccccc3F)N12 2964385 OMKYYUUQQQUZCC-OAQYLSRUSA-N 415.493 4.960 0 40 HJAB CCC(CC)c1nnc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1 3397839 XKXXXAROCCABMT-UHFFFAOYSA-N 418.526 4.942 0 40 HJAB COc1ccc(CNC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)cc1 3425138 FEJNSXUBAQBONP-UHFFFAOYSA-N 421.547 4.775 0 40 HJAB COc1ccc(CCSc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1 3553521 HNOZAOLOBGUKSF-OAHLLOKOSA-N 416.978 4.887 0 40 HJAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H]2COc3ccccc3O2)cc1 3655280 RFRBYTYANALBKI-OAQYLSRUSA-N 413.429 4.751 0 40 HJAB CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccccc1 4082658 IAPQJTWDFSUNMC-DESXLGDUSA-N 405.538 4.993 0 40 HJAB CC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1 4545284 VULDWSSLIAAAJY-UHFFFAOYSA-N 419.308 4.687 0 40 HJAB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2cccs2)c2cc(Cl)ccc21 4553472 HJQKTBOSPHWPGQ-QFIPXVFZSA-N 411.910 4.717 0 40 HJAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(Cl)cc3)c3ccccc32)c(C)c1 4556256 MWAWYFFGZHKIOL-RUZDIDTESA-N 419.908 4.964 0 40 HJAB Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C1=O 5093323 TXMYRMUHOJDGJQ-FSSWDIPSSA-N 418.880 4.700 0 40 HJAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 5204136 IHFMGNGQWXXTHE-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1c1ccccn1 5240529 DWGLMTUJPLHTEJ-LJQANCHMSA-N 406.800 4.730 0 40 HJAB C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N1CCc2ccccc21 5887109 FOKYUJUUAFGEQW-MRXNPFEDSA-N 416.506 4.597 0 40 HJAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 5975167 UOCKWKYIOLPRGZ-KROKWJMESA-N 402.538 4.633 0 40 HJAB Cc1ccc(S(=O)(=O)NC(=O)O[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 6214467 WRIONJCJSPINNC-FQEVSTJZSA-N 415.898 4.853 0 40 HJAB C[C@@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)N1CCCCC1 6364843 VVJDERHXECVEMM-CYBMUJFWSA-N 401.532 4.991 0 40 HJAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccc(SC(F)F)cc1 6376241 PQDWXWMBTZORMZ-UHFFFAOYSA-N 418.465 4.987 0 40 HJAB Clc1ccc(CCNc2nc3ccccc3c3nc(-c4ccncc4)nn23)cc1 6805470 UMCGRLUEFOXGED-UHFFFAOYSA-N 400.873 4.648 0 40 HJAB CC1(C)[C@H](C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CC[C@]1(C)C(=O)O 6829038 MHORALJDMGGTAR-DYZYQPBXSA-N 416.421 4.661 0 40 HJAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC 6964155 YZGRWLSCJIADCD-XDHOZWIPSA-N 401.459 4.860 0 40 HJAB COc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 8075307 KPCJUPQLROYUSH-UHFFFAOYSA-N 403.507 4.599 0 40 HJAB COc1cc(C(=O)Oc2ccc3c(Br)cccc3c2)cc(OC)c1OC 8453372 OGLSLUYPTCACQS-UHFFFAOYSA-N 417.255 4.847 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1F)c1ccc(Cl)cc1 8810017 VHSLAZMRTDNORR-UHFFFAOYSA-N 424.925 4.733 0 40 HJAB CCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810825 DSBIDMCPIIDXAD-UHFFFAOYSA-N 416.449 4.580 0 40 HJAB CCCCOC(=O)c1ccc2nc(NC(=O)COc3cccc(C)c3C)sc2c1 8903274 GEGHUSBYXOKUGG-UHFFFAOYSA-N 412.511 4.888 0 40 HJAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1ccc(C(F)(F)F)cc1 9036418 YDNCGVLYPUJZJV-UHFFFAOYSA-N 414.383 4.749 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc2c(c1)CCCC2 9193345 DHTHHEMCLMDVOR-UHFFFAOYSA-N 410.518 4.714 0 40 HJAB COCCNc1nnc(Sc2ncnc3scc(-c4ccc(F)cc4)c23)s1 9950800 BJTILZVXYXSQPZ-UHFFFAOYSA-N 419.532 4.558 0 40 HJAB COc1ccc(OC)c2sc(N(Cc3ccco3)C(=O)Cc3cccs3)nc12 10060823 PZGROVGJGPIALK-UHFFFAOYSA-N 414.508 4.744 0 40 HJAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccccc4F)cc3C[C@@H]2C)cc1 10326630 SUBYXPGHJAOKGW-INIZCTEOSA-N 424.497 4.526 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2nonc2-c2ccc(Br)cc2)cc1 11917101 UUPRTJBUZLCASK-UHFFFAOYSA-N 402.248 4.539 0 40 HJAB Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4ccccc4c3)CC1)O2 12293604 IVUFUDXYAVTLJF-DQEYMECFSA-N 417.549 4.841 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc2nc(/C(Cl)=C/c3ccc(Cl)cc3)[nH]c2c1 12565618 IOPBTDFUAAUKKR-WJDWOHSUSA-N 424.353 4.984 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12656200 CPDBALYNZRPEBV-USRPLYOTSA-N 416.631 4.855 0 40 HJAB biogenic O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 12754751 MSZVOLCPJJCRMY-MSOLQXFVSA-N 419.550 4.594 0 40 HJAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N[C@H]1CCSc2c(F)cccc21 12783266 PUCLESQDTFYTPY-NRFANRHFSA-N 420.509 4.576 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccc(F)c(Cl)c3)n2)cc1 12849154 OADPEKZMXXUKBW-UHFFFAOYSA-N 419.865 4.579 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 12905552 YPMLZYWURJCSDK-UHFFFAOYSA-N 424.353 4.617 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 13141646 GUBFGXFVMDSYFC-HDICACEKSA-N 406.555 4.816 0 40 HJAB CC(C)c1nc2oc3c(NCc4ccncc4)ncnc3c2c2c1COC(C)(C)C2 13207133 FJDUFHJSCAVYMI-UHFFFAOYSA-N 403.486 4.753 0 40 HJAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1Sc1ccccc1 13717376 UYDQPRZUGDSJMQ-UHFFFAOYSA-N 416.502 4.853 0 40 HJAB O=C(CCCOc1ccc(Cl)cc1Cl)NCc1nc(-c2cccs2)no1 13720000 DRNXHLMBVFHQKP-UHFFFAOYSA-N 412.298 4.580 0 40 HJAB COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccccc2)cc1 15835477 CANIJABCNRJCFR-VWLOTQADSA-N 400.478 4.803 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)CC3CCCC3)C1)N2 19083998 ISZYGMMHMDTDQU-OKZBNKHCSA-N 422.564 4.990 0 40 HJAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CCCC2)C1 19528852 INAVZMDELWADSQ-XMMPIXPASA-N 410.583 4.503 0 40 HJAB Cc1c(-c2cc(C(=O)Nc3nc(-c4ccc(OC(C)C)cc4)cs3)no2)cnn1C 19554166 ZANJFKCETJIEIZ-UHFFFAOYSA-N 423.498 4.547 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1 20459795 PIQYZPMRVUZPCA-SFHVURJKSA-N 424.522 4.510 0 40 HJAB COc1cc(Cl)c(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1OC 23054287 NSKBNMHYNUEQMF-UHFFFAOYSA-N 404.825 4.723 0 40 HJAB O=C1CSc2ccc(C(=O)N3CCCC[C@H]3c3nc4ccccc4s3)cc2N1 24384345 KXTSLLULCXIXHP-INIZCTEOSA-N 409.536 4.708 0 40 HJAB CCOc1ncccc1C(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 24838497 FZGUVJNCTOVRAK-KRWDZBQOSA-N 403.482 4.566 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3cnc4c(cnn4C(C)C)c3)n2)cc1F 24841142 AARBVFBWXORSHZ-UHFFFAOYSA-N 411.462 4.536 0 40 HJAB O=C(Nc1nc2c(s1)CCCCC2)c1cnn(-c2ccccc2)c1C(F)(F)F 25002531 YSZZNTCVOUVPBA-UHFFFAOYSA-N 406.433 4.869 0 40 HJAB COc1cccc(OCC(=O)Nc2nc(-c3cccc(Br)c3)cs2)c1 28232503 KHMFHWZEVYIZCK-UHFFFAOYSA-N 419.300 4.599 0 40 HJAB COc1ccccc1NC(=O)CSc1ncnc2c1sc1nc(C)cc(C)c12 32073470 YTALMJQKFMDMBJ-UHFFFAOYSA-N 410.524 4.596 0 40 HJAB O=C1N[C@H](c2ccc(OCc3ccccc3)c(Br)c2)Nc2ccccc21 32666128 GGWSNJPKNOHUPQ-HXUWFJFHSA-N 409.283 4.882 0 40 HJAB CC(C)CCn1c(SCC(=O)Nc2ccc(C(=O)N(C)C)cc2)nc2ccccc21 32950414 XSOFBPCEDHCIHV-UHFFFAOYSA-N 424.570 4.515 0 40 HJAB Oc1nc(SCc2ccc(F)cc2Cl)nc2c1CN(Cc1ccccc1)CC2 33287243 RYNJLEUYQFOFKQ-UHFFFAOYSA-N 415.921 4.825 0 40 HJAB O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCC[C@H](c2nc3ccccc3s2)C1 35099122 BUFRXMXROUJKMO-RBZFPXEDSA-N 409.486 4.922 0 40 HJAB CCn1ncc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3CC)c1C 36613551 JMYAJIGGLNDELU-UHFFFAOYSA-N 402.502 4.512 0 40 HJAB CN(C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)C1C2CC3CC(C2)CC1C3 40133212 OLGMKYDTZIZFGP-UHFFFAOYSA-N 423.578 4.557 0 40 HJAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 40146987 ILNZJJQCFDKMHN-UHFFFAOYSA-N 424.500 4.502 0 40 HJAB COc1cccc(C2=NN(C(C)=O)[C@@H](c3nc4ccccc4n3Cc3ccccc3)C2)c1 41146251 DSFLLWGGARXBOE-RUZDIDTESA-N 424.504 4.791 0 40 HJAB CC(C)Oc1cccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 44882536 NCKINWCCLHQNOH-FQEVSTJZSA-N 400.950 4.656 0 40 HJAB CN(C[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1)C(=O)OC(C)(C)C 48276507 JFDKEFSDYLPBFK-MRXNPFEDSA-N 415.559 4.529 0 40 HJAB O=C(O)/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)Sc1nc2ccccc2[nH]1 50547872 RLBCOTSXMNZZOC-WQRHYEAKSA-N 406.419 4.739 0 40 HJAB O=c1cc(CN2CCN(c3cccc(Cl)c3)CC2)c2cc3c(cc2o1)CCCC3 54106021 CEWKSVLCWCPSNV-UHFFFAOYSA-N 408.929 4.647 0 40 HJAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 67321509 GCOOIAVCDYKMJO-OFVILXPXSA-N 414.461 4.709 0 40 HJAB O=C(C1CCCC1)N1CCCC[C@@H]1c1ccnc(Nc2cc(C(F)(F)F)ccn2)n1 72377955 GBJJIAANSKQIKP-QGZVFWFLSA-N 419.451 4.878 0 40 HJAB Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)nnc2c(-c3ccccc3)cnn12 72461578 XHGIKTMPFAEEQU-UHFFFAOYSA-N 404.886 4.817 0 40 HJAB C[C@H](OC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc2ccccc2o1 95461468 ORICPYWCRBXMBU-INIZCTEOSA-N 421.474 4.720 0 40 HJAB Cc1csc(CN(C)C(=O)[C@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)n1 95465660 CWJWWHNDQUAONR-GJZGRUSLSA-N 402.951 4.914 0 40 HJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(OC(F)F)cc3OC(F)F)cc2)n1 95949694 QAOAFGXWXUAXNY-UHFFFAOYSA-N 423.366 4.944 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 223239341 PMEYSEPFWDYDSK-SFHVURJKSA-N 416.562 4.560 0 40 HJAB O=C(COc1cccc2c1CCCC2)Nc1ccccc1C(=O)N1CCCCCC1 224027219 WNJUFBRXZUZVDW-UHFFFAOYSA-N 406.526 4.599 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 224545443 PNXFEMBKIDANEK-QHCPKHFHSA-N 424.585 4.570 0 40 HJAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2OC)c1C 224563255 RNHJIJGQRRFIEC-FGZHOGPDSA-N 406.555 4.706 0 40 HJAB COC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224956877 CUGISEJEWXJCNE-CYBMUJFWSA-N 415.287 4.536 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 225104264 GARPMBYIIBDVOH-JOCHJYFZSA-N 412.599 4.811 0 40 HJAB O=C(CCc1c(Cl)cccc1Cl)NCc1nc(-c2cccc(Cl)c2)no1 225364765 ZZQWRMGOGFFWHJ-UHFFFAOYSA-N 410.688 4.946 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)c1 225577726 QGICTDAONFAVAV-INIZCTEOSA-N 404.919 4.715 0 40 HJAB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C(=O)OC 225767808 OAJPGISRLLEDEG-UHFFFAOYSA-N 411.498 4.721 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1 225810738 PJLXMWSXUVSXRI-UHFFFAOYSA-N 400.519 4.801 0 40 HJAB Cc1nc(CN2[C@H](c3cccc(C(F)(F)F)c3)C[C@H]3NC(=O)CCCC[C@@H]32)cs1 257296596 RDMOCBUABZUHRH-QYZOEREBSA-N 423.504 4.845 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1C(=O)NC1CCCCC1 408550101 BLXANAOQQMHQBG-UHFFFAOYSA-N 406.935 4.512 0 40 HJAB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2ccc(C)c(C)c2)c2ccccc2)cc1 408979029 KVOTXDPDLCIVMV-QHCPKHFHSA-N 422.550 4.660 0 40 HJAB CCN1C(=O)N/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C1=O 409236706 GNCRSTCUQKDRLA-DEDYPNTBSA-N 406.869 4.985 0 40 HJAB Cn1ncc2c1CCC[C@@H]2NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 507044972 FVBZJZDMTIWMEX-QFIPXVFZSA-N 416.500 4.834 0 40 HJAB O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(c2nc3ccccc3s2)CC1 589286988 QFTDADSQPUFPQE-UHFFFAOYSA-N 419.472 4.848 0 40 HJAB CC(C)CN1C(=O)C2(CCN(c3cc[nH]c4nccc3-4)CC2)C[C@@H]1Cc1ccccc1 2037843344 BVCMNYALXOPFSE-NRFANRHFSA-N 416.569 4.601 0 40 HJAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3C)n2C)cc1 686611 RHBCMRSNXQTMOB-INIZCTEOSA-N 410.543 4.557 0 40 HJAB COc1ccc(Oc2coc3cc(O[C@H](C)C(=O)OCC(C)C)ccc3c2=O)cc1 710188 OLDNNVJTRLAPGV-OAHLLOKOSA-N 412.438 4.560 0 40 HJAB O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cccnc1 977577 COHHYBNDHJZGFG-UHFFFAOYSA-N 408.870 4.670 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)c1cnc(-c2cccnc2)nc1-c1ccccc1 1402975 VBJKNLBTWVPDMS-UHFFFAOYSA-N 407.882 4.692 0 40 HJAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc34)c12 2093876 XTVXBHJCYKGHNZ-UHFFFAOYSA-N 419.477 4.734 0 40 HJAB biogenic CCn1c(SCc2ccc(Cl)cc2)nc2nc3c(cc2c1=O)COC(C)(C)C3 2265710 NRRIXWZTGDWFEH-UHFFFAOYSA-N 415.946 4.608 0 40 HJAB O=C(NC(=S)Nc1ccccc1N1CCCC1)C(c1ccccc1)c1ccccc1 2388548 YBKUPDJTMGUSMK-UHFFFAOYSA-N 415.562 4.932 0 40 HJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1OC 2690558 AUUIRMJBCAKXNB-UHFFFAOYSA-N 413.473 4.688 0 40 HJAB CCOc1ccccc1C(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 2724675 ZFMDNJOCIKCJCX-HSZRJFAPSA-N 422.431 4.547 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Oc2ccc(C(C)(C)C)cc2)cc1 3286854 HWFWSQYMQDQKNO-LICLKQGHSA-N 415.555 4.633 0 40 HJAB CCOc1ccc(CN(C)Cn2nc3cc(C)c4ccccc4n3c2=S)cc1OC 3338119 KPQDQRNKRNUIBY-UHFFFAOYSA-N 422.554 4.824 0 40 HJAB C[C@@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)Nc1ccc(Cl)cn1 3442906 ZGSDCTPETVDIGL-SNVBAGLBSA-N 404.948 4.738 0 40 HJAB Cc1nc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)ccc1Br 4122586 ZQPFMAWHCJTWJP-UHFFFAOYSA-N 419.131 4.586 0 40 HJAB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2)cc1 4741997 AWAHGSLTRIODQF-QHCPKHFHSA-N 410.477 4.973 0 40 HJAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1C 4910860 GLHBWGKNDPHFIE-LJQANCHMSA-N 405.542 4.847 0 40 HJAB CCCCn1c(N)c(C(=O)N[C@H](C)CCc2ccccc2)c2nc3ccccc3nc21 5186690 XCLZQXSVBXDVQE-QGZVFWFLSA-N 415.541 4.718 0 40 HJAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)[C@@H]1C 5865129 AJBJYIWZJYWDJP-CKEIUWERSA-N 416.345 4.637 0 40 HJAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(C)C)cc(Cl)c1OC 6599051 VBNLLRWFKFAVLN-MDZDMXLPSA-N 417.889 4.676 0 40 HJAB CCC(CC)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 6599267 YMWIMHJDADHPKA-UHFFFAOYSA-N 407.605 4.587 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)N1CCC(c2nc3ccccc3o2)CC1 7169412 OOWOMVFNAZTBOH-UHFFFAOYSA-N 405.281 4.920 0 40 HJAB CC1(C)Cc2cccc(OCc3ccc(C(=O)NCCc4ccccc4)cc3)c2O1 7454100 SUYHXERKKLRLHV-UHFFFAOYSA-N 401.506 4.952 0 40 HJAB Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)c(C)cc1I 8333953 TXUHSQIAFCMDQS-UHFFFAOYSA-N 409.267 4.948 0 40 HJAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Cl)c2)c1 8664946 KFEQPWKKTVXYOP-FQEVSTJZSA-N 402.837 4.900 0 40 HJAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc3ccccc3c2)C1=O 9337869 OKNALMFVZUGOID-VWLOTQADSA-N 418.468 4.799 0 40 HJAB Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 9903988 OYDBIQFLSPNHDO-UHFFFAOYSA-N 412.536 4.527 0 40 HJAB O=C1CCc2cc(-c3csc(NC(=O)c4ccc(C(F)(F)F)cc4)n3)ccc2N1 11451203 BPLHOMOCYZXQRF-UHFFFAOYSA-N 417.412 4.966 0 40 HJAB CCN1C(=O)c2cccc3c(S(=O)(=O)Oc4ccc5ccccc5c4)ccc1c23 11691620 PJVNDSKCGBCGRK-UHFFFAOYSA-N 403.459 4.741 0 40 HJAB Cc1cc(=O)n2c(-c3cccc(NC(=O)c4ccc5ccccc5n4)c3)csc2n1 11768284 XZSWOCUHOAWWEF-UHFFFAOYSA-N 412.474 4.532 0 40 HJAB Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1 12414517 HSBRCKLCTUREEQ-UHFFFAOYSA-N 421.859 4.803 0 40 HJAB C[C@H](c1nnc(SCC(=O)c2cc3ccccc3o2)n1-c1ccc(F)cc1)N(C)C 12564372 RGOFPMYIIPBUSV-CQSZACIVSA-N 424.501 4.750 0 40 HJAB O=C(Cc1csc(COc2ccc(F)cc2)n1)NCc1cccc(C(F)(F)F)c1 12795684 PMXTWKKGGLVMJC-UHFFFAOYSA-N 424.419 4.739 0 40 HJAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ncc(Cl)cc2Cl)cc1 12943783 RXNIQYUDULLJDN-GOSISDBHSA-N 408.329 4.953 0 40 HJAB C[C@H]1CN(Cc2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)C[C@H](C)O1 14121685 VUUVJLSLMQWFSD-ROUUACIJSA-N 421.566 4.523 0 40 HJAB Cc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 14155916 HDBJCAAFXIEAOZ-UHFFFAOYSA-N 422.550 4.651 0 40 HJAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)c(OC)c1 15953640 OPSSSWJBIKGPHY-HFLLPRHDSA-N 421.537 4.612 0 40 HJAB biogenic COc1cc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc(OC)c1OC 16643188 RFLBTWICIQFQEG-UHFFFAOYSA-N 415.449 4.575 0 40 HJAB CCc1ccc2oc(-c3ccc(OC)c(OC)c3)c/c(=N\[C@H](C(=O)O)C(C)C)c2c1 16873025 PJXWAOOGGCFXNT-UPQSEYGOSA-N 409.482 4.689 0 40 HJAB O=C(Nc1nc(CC(=O)N2CCCc3ccccc32)cs1)c1ccc(Cl)cc1 17200536 KLBAMXLEWRROJU-UHFFFAOYSA-N 411.914 4.571 0 40 HJAB CCn1c(SCc2nnc(-c3cccc(C)c3)o2)nnc1-c1ccccc1OC 18972878 LCZIZOLBGCALSY-UHFFFAOYSA-N 407.499 4.624 0 40 HJAB CCC(=O)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 19498830 JOIHKQVATNNRKM-FQEVSTJZSA-N 405.477 4.885 0 40 HJAB C[C@H](CCN1CCC(Cc2nn(C)cc2C(=O)NC2CCCC2)CC1)c1ccccc1 19756416 KURIZYXCGMBHIL-HXUWFJFHSA-N 422.617 4.541 0 40 HJAB COC(=O)c1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1C 19933087 KZNRMWTWTUXPBY-UHFFFAOYSA-N 400.478 4.597 0 40 HJAB O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccc(Cl)c1 20151846 XXRNDPDMJYRLGR-UHFFFAOYSA-N 421.305 4.873 0 40 HJAB COc1ccccc1NC(=O)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 22072171 BSZNISVFANVEAB-UHFFFAOYSA-N 403.360 4.985 0 40 HJAB Cc1ccc2nc(NC(=O)c3ccc(Cn4nc(C)c(Cl)c4C)o3)sc2c1 27981177 HMTPEJRBWURKTR-UHFFFAOYSA-N 400.891 4.965 0 40 HJAB Cc1nc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)sc1-c1nccn1C(F)F 32786813 LWBJRCQYSLJJSC-UHFFFAOYSA-N 419.240 4.975 0 40 HJAB COC(=O)c1cc(CN(C)[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)oc1C 35310642 MZQPTFYOTBDCKX-HSZRJFAPSA-N 416.477 4.912 0 40 HJAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 36394000 DWYUIXANAMYTFD-OLZOCXBDSA-N 421.324 4.987 0 40 HJAB CCc1ccc(NC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)cc1 36616645 PVNURNIXLNDKKL-UHFFFAOYSA-N 400.482 4.767 0 40 HJAB CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 40104588 YZJRVBFZNPTUEO-UHFFFAOYSA-N 406.313 4.893 0 40 HJAB C[C@H](C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c1)n1cccn1 46007146 DPLPYFXLWBGHPW-DNVCBOLYSA-N 409.515 4.513 0 40 HJAB CC(C)c1ccc(NC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)c(C(C)C)c1 47851487 NPXHCZFIQFVGQY-UHFFFAOYSA-N 417.575 4.505 0 40 HJAB O=C1c2ccccc2N[C@]2(C(=O)Nc3c(Cl)cccc32)N1c1cccc(Cl)c1 49947060 GSPBDFXWPIDCEF-NRFANRHFSA-N 410.260 4.871 0 40 HJAB C[C@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(Cl)cc1 57347642 FSIUSELILABSLR-KRWDZBQOSA-N 421.928 4.559 0 40 HJAB CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(Cc2cccc3cccnc23)CC1 69814372 RKXRQSFRKWMXFO-HSZRJFAPSA-N 408.590 4.809 0 40 HJAB Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(Cc3cccc4ncccc34)C2)n1 72375035 TWURQWOAKXHDGB-HXUWFJFHSA-N 410.525 4.851 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2cccc(OC)c2)n1 72390675 ODGXVGVOGSALOU-QFIPXVFZSA-N 416.525 4.867 0 40 HJAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccccc2)C12CCCCC2 96344388 XQROBEBGAIZDJV-XMMPIXPASA-N 418.581 4.944 0 40 HJAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)c2ccccc2)CC1 100688380 IKFHNZFULDQWSK-CALCHBBNSA-N 421.566 4.702 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 223146737 ALKKJWXXUPFSJL-GOSISDBHSA-N 400.950 4.606 0 40 HJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccc(C)cc1 223495057 OPEHLDGDKBXAOM-NRPPHEFGSA-N 402.494 4.935 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 223907956 LSGWKLBLVPEZKC-INIZCTEOSA-N 421.368 4.706 0 40 HJAB Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 224523641 WDOCJUCILNNAOO-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 224912001 QBNRYXPKKIRXTJ-GOSISDBHSA-N 422.550 4.849 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 225169840 FEQQIBKWZXJWEX-HOTGVXAUSA-N 421.368 4.868 0 40 HJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(S(C)(=O)=O)cc1 225691278 YQRCDCMIZJGHLZ-DYESRHJHSA-N 417.571 4.557 0 40 HJAB C[C@H]1C[C@@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NC3CCCCC3)n2)C1 226009344 FHATVRFDCSKFSB-BETUJISGSA-N 415.529 4.597 0 40 HJAB Cc1cccnc1Nc1cncc([C@@H]2CCCN2C(=O)CCc2cccc(Cl)c2)n1 257304837 SNJFJGQBCKPFAI-FQEVSTJZSA-N 421.932 4.873 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@H]2CC(C)=CC[C@H]2C1=O 408683898 NRYDBUUBOSIRNT-CTNGQTDRSA-N 416.521 4.909 0 40 HJAB COc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3C)n2)c1 408699350 SXHUNFNNXXBIFB-UHFFFAOYSA-N 416.456 4.951 0 40 HJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)cc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409097536 OCRKKJGLKSIYKH-DFHBCGBQSA-N 402.844 4.865 0 40 HJAB C[C@@]1(O)CCN(CC2CCCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 514290031 VDZWNNVOYSULBK-KYPHJKQUSA-N 424.560 4.702 0 40 HJAB biogenic,in-vitro CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)CC1CCCC1 643584387 PBTQOOKLDKAZJP-NRFANRHFSA-N 414.590 4.755 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2 674471 VUJBQVVWJTYEII-GFCCVEGCSA-N 407.919 4.721 0 40 HJAB Cc1cccc2cc(CN(C(=S)NCCc3ccccc3)C3CCCC3)c(=O)[nH]c12 907816 NBVHYYODYHZQDP-UHFFFAOYSA-N 419.594 4.698 0 40 HJAB COc1ccc(-n2ccnc2SCC(=O)Nc2nc3ccc(C)cc3s2)cc1 2723177 WEXYOMGHBKCTCH-UHFFFAOYSA-N 410.524 4.530 0 40 HJAB C[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 4555047 WFHDXWIRBHHUKT-VOIUYBSRSA-N 405.881 4.593 0 40 HJAB Clc1ccc(C2=Nn3c(nnc3-c3ccc(Br)cc3)SC2)cc1 4598301 ZNHGOQUUQFUXFI-UHFFFAOYSA-N 405.708 4.719 0 40 HJAB CCOc1ccc(C(NC(=O)c2cccc(C)c2)NC(=O)c2cccc(C)c2)cc1 4747642 CMJODPWNUOJTMY-UHFFFAOYSA-N 402.494 4.561 0 40 HJAB Cc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3F)C2)cc1 4860378 LQPPZERKCFWWDY-QHCPKHFHSA-N 408.498 4.983 0 40 HJAB Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)NCc3ccco3)c12 6509606 OGXOQRSZMSQPHW-UHFFFAOYSA-N 414.490 4.980 0 40 HJAB C[C@H](NC(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2)C12CC3CC(CC(C3)C1)C2 7159209 FAWIMDHDEMLNIN-YOYISHSYSA-N 415.599 4.751 0 40 HJAB COc1ccc(CCn2c(C)cc(C(=O)CSc3nnc(C4CC4)o3)c2C)cc1 7288963 BSVNTLNFRGXRDW-UHFFFAOYSA-N 411.527 4.592 0 40 HJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N[C@@H](C)c1ccc(F)cc1 7763703 CZPUARBYHCSNNY-STQMWFEESA-N 416.547 4.839 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1 8434549 SOWJDVRCDGEJLN-UHFFFAOYSA-N 408.841 4.851 0 40 HJAB CCOc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2cccc(C)c2)cc1 8476359 HRIJIFQCCZORLX-UHFFFAOYSA-N 412.493 4.571 0 40 HJAB Cc1ccc(-c2c(NS(=O)(=O)c3ccc(F)cc3)oc3ccccc3c2=O)cc1 9060575 COPYULYESZRIIV-UHFFFAOYSA-N 409.438 4.708 0 40 HJAB COc1ccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1OC 9445174 FWNAXVSURZJHBA-UHFFFAOYSA-N 421.280 4.885 0 40 HJAB O=C(Cc1coc2ccc3ccccc3c12)N1CCC[C@H](c2nnc3ccccn23)C1 9637942 JISLACATRYPVKT-SFHVURJKSA-N 410.477 4.577 0 40 HJAB O=C(Nc1ccc2c(c1)OCCCO2)c1c(-n2cccc2)sc2c1CCSC2 9996218 ZVTDDYVQIMCKJM-UHFFFAOYSA-N 412.536 4.742 0 40 HJAB COc1ccc(C)cc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10315193 PQHZIEPPTVUMCF-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1OC 11916336 NVEHOQJNRYLCDU-UHFFFAOYSA-N 402.878 4.517 0 40 HJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3C)oc2NCc2ccco2)cc1 12419133 KDEJIHPMRFLDQG-UHFFFAOYSA-N 408.479 4.996 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 12588331 REOANQGBOQHHLX-PHIMTYICSA-N 411.342 4.671 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccccc2Cl)o1 12676685 MMSCTNHSWJUQPE-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 14012161 CPLDFHFFWCNQGH-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB CCCn1c(SCc2nc(-c3ccc(C)c(F)c3)no2)nc2ccccc2c1=O 14227009 HGQJZBAZMBLXPA-UHFFFAOYSA-N 410.474 4.596 0 40 HJAB O[C@@H](COc1cccc(Br)c1)CN(Cc1ccco1)Cc1cccs1 14238183 KEUWWMPPVFXOSW-MRXNPFEDSA-N 422.344 4.546 0 40 HJAB COc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C 14292024 JNVDKAUDFNFDQD-UHFFFAOYSA-N 400.522 4.551 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)c3ccccc3Br)cs2)cc1 16954795 PLWHGEOQQQXVTI-UHFFFAOYSA-N 417.328 4.554 0 40 HJAB Cc1cc(NC(=O)CN[C@@H](C)c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 19535772 YMLBPLNKEGCQNQ-AWEZNQCLSA-N 403.313 4.777 0 40 HJAB Cc1cc(Oc2ccc(N(C)C)cc2)cc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 19570301 DPQKEEZEKHNMTB-HXUWFJFHSA-N 416.525 4.663 0 40 HJAB CCc1nn(C)c(C(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)c1C 19691416 RRNBMRTUAZFJBD-UHFFFAOYSA-N 402.542 4.681 0 40 HJAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C2CCCCC2)nc1C 19753468 RUXJSZOEGIITNI-NRFANRHFSA-N 408.546 4.906 0 40 HJAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2Cl)cc1)c1ccccc1 19947626 UWQFRXWVXUVVMI-UHFFFAOYSA-N 414.914 4.559 0 40 HJAB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)c(OC)c1 20229025 QKBANFBFEWQHST-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB Cc1ccc(OCC(=O)Nc2nn(CC(C)C)c3nc4cc(C)ccc4cc23)cc1 21595116 YWVIXAIQCPZIGT-UHFFFAOYSA-N 402.498 4.875 0 40 HJAB CCc1ccccc1NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 22274023 QSSGWONCSONOSK-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3ccccc3Br)oc12 24991137 MJEGUZYOVQSVNY-GFCCVEGCSA-N 424.316 4.634 0 40 HJAB COc1ccc(CN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C2CC2)cc1 25312242 UYZOOBGIBVTXMF-UHFFFAOYSA-N 403.404 4.929 0 40 HJAB Cc1ccc(C)c(OCc2nnc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)o2)c1 26491895 QQHSXWJBOXVFTF-OAQYLSRUSA-N 423.538 4.721 0 40 HJAB COc1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c(OC)c1OC 30757910 ZBKUFRVSIDERPF-BRGVFWSASA-N 417.505 4.940 0 40 HJAB O=C(NC[C@H](O)c1ccc(F)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 31325063 QBCSYZKKONAACL-FQEVSTJZSA-N 403.375 4.975 0 40 HJAB CCN(C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1nc2ccccc2s1 31949762 VELQNLFOKRHOOJ-UHFFFAOYSA-N 417.416 4.563 0 40 HJAB CCN1CCN(c2ccc(NC(=O)c3cc(SC)ccc3Cl)c(C)c2)CC1 32978530 LQGZPRRWDZVSPV-UHFFFAOYSA-N 403.979 4.765 0 40 HJAB COc1ccc([C@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 36614008 RBRZWDREHFBAFO-ZDUSSCGKSA-N 405.429 4.837 0 40 HJAB COc1ccccc1[C@H](CNC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCCC1 36755310 PFQFOABMYIFFNT-QFIPXVFZSA-N 410.533 4.599 0 40 HJAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4cc(CC)ccc4o3)c2)C1 45887604 STKZYZMKQWJOFM-AWEZNQCLSA-N 412.873 4.627 0 40 HJAB OCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=S)Nc1ccccc1 71195291 DOKYJTULKAEYNG-UHFFFAOYSA-N 414.534 4.688 0 40 HJAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cncc(Br)c1 72230024 PULXJHXXNAVDBZ-GOSISDBHSA-N 417.690 4.832 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H](c3cccc(Cc4cccc(F)c4)n3)C2)cc1 72349579 WREOLNKJABCJLR-NRFANRHFSA-N 418.512 4.769 0 40 HJAB CC1(C)CC(=O)c2cc(C(=O)N3CCCC[C@H]3CCCc3ccccc3)c(=O)[nH]c2C1 84673748 YDYCJESJPAAGLM-IBGZPJMESA-N 420.553 4.548 0 40 HJAB CC(C)(C)OC(=O)NC(C)(C)c1noc(CNC(C2CCCC2)C2CCCC2)n1 95462620 VWRGZTFVVWQUPZ-UHFFFAOYSA-N 406.571 4.668 0 40 HJAB Cc1ccc(CN[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)c(N2CCCC2)c1 95462829 KPTRBOXTKNZMMU-HSZRJFAPSA-N 405.586 4.673 0 40 HJAB C[C@@H](NC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1)c1ccccc1Cl 95463389 YEMHMDRTCWOVGT-SNVBAGLBSA-N 402.850 4.564 0 40 HJAB CC1(C)CC(=O)C(Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)C(=O)C1 100314916 ASFZBBCXGFWNGI-UHFFFAOYSA-N 403.507 4.625 0 40 HJAB COc1ccc(C2(O)C[C@@H]3CC[C@@H](C2)N3Cc2c(C(C)C)[nH]c3ncccc23)cc1 100736611 JORVYSRPPYSVKV-OALUTQOASA-N 405.542 4.710 0 40 HJAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)CCc3ccccc3F)CC2)on1 100744090 QBCOBRSFIPWSPV-IZAXUBKRSA-N 424.520 4.545 0 40 HJAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](OC(C)=O)(C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118915177 SBWDYFUYGAMEGM-WVHUOMASSA-N 418.574 4.852 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219321627 JGTJYEHJRUOARF-ZWKOTPCHSA-N 403.906 4.925 0 40 HJAB O=C(CSCc1ccccc1F)Nc1nnc(SCc2ccccc2)s1 222576743 POYRBJVAAOIHHS-UHFFFAOYSA-N 405.545 4.841 0 40 HJAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl 222730838 AYRSIOCBUMMQML-ZWKOTPCHSA-N 403.338 4.781 0 40 HJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2C)o1 222896121 VYTBMNKKJHYXCJ-SFTDATJTSA-N 421.522 4.731 0 40 HJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 222942774 ZTAQMABPWFAIRZ-HSZRJFAPSA-N 409.574 4.532 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 224208453 CWKJXWXYNHZSCU-QGZVFWFLSA-N 418.990 4.622 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 224282653 ZJCHIIFJISWIQM-DEOSSOPVSA-N 406.570 4.712 0 40 HJAB CCN(Cc1ccccc1)C(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 224366778 JYTAOKGHTYGTIS-UHFFFAOYSA-N 422.550 4.564 0 40 HJAB O=C(COc1ccc2c(c1)CCCC2)NCc1ccc(OCc2ccc(F)cc2)cc1 225393704 ODQHVIPISKZUBY-UHFFFAOYSA-N 419.496 4.979 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)N[C@@H](C)CC)cc1 225515804 ZFHXZINGHFQXCO-RDPSFJRHSA-N 424.585 4.658 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)N[C@@H](C)CC)cc1 225577302 AXHBYWMEXYRELH-RDPSFJRHSA-N 424.585 4.658 0 40 HJAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1OC 225684694 HISXRFKCZOTMKI-UHFFFAOYSA-N 401.890 4.976 0 40 HJAB COc1c(C)cccc1C(=O)NC[C@H]1CC[C@H](c2nn(C)cc2-c2ccncc2)CC1 257205941 BBDXDSPAWUGOPM-KESTWPANSA-N 418.541 4.503 0 40 HJAB CNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C2CCCCC2)CC1 257229943 GACKTEHWCKLPSO-UHFFFAOYSA-N 418.581 4.831 0 40 HJAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(OC)cccc4OC)OCC[C@@]31C2 257234300 GSXPRVMWUSOREP-JOLWPCDDSA-N 401.547 4.503 0 40 HJAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(Cl)cc3)C(=O)O)o2)c1 408633805 PQOLMQUJDMVFQU-APSNUPSMSA-N 418.858 4.625 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409028912 TUHQYBMKKRZOQX-SFHVURJKSA-N 424.522 4.581 0 40 HJAB Clc1cnccc1CN1CCCC2(CCCN(Cc3ccncc3Cl)C2)C1 575611352 DJHZGMCWMGLOPZ-UHFFFAOYSA-N 405.373 4.662 0 40 HJAB COc1ccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/Nc3ccccc3)oc2c1 575615195 GCJJNIFLKKAABP-BZZOAKBMSA-N 420.490 4.510 0 40 HJAB Cc1c(Cl)cccc1-n1c(SC[C@@H]2CCCOC2)nc2c(c1=O)CCCC2 1888959383 FTXWKQDXEUPNLO-OAHLLOKOSA-N 404.963 4.592 0 40 HJAB Cc1nc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@H](C)C4)sc1C 928905 SGQIRRLYONXSFH-VIFPVBQESA-N 404.586 4.620 0 40 HJAB CC1CCN(C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)CC1 991017 IQLAGVHUJUGRIJ-UHFFFAOYSA-N 401.304 4.574 0 40 HJAB CCCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccccc2)sc2c1CCCC2 2083530 WXUMSEPWUPFUKR-KRWDZBQOSA-N 401.528 4.990 0 40 HJAB Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(F)c2)sc1C 2249078 HWTBRHLDRUOQQZ-SFHVURJKSA-N 406.438 4.755 0 40 HJAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)O)cc1 2256468 ZOEORNKBVBXZMC-UHFFFAOYSA-N 415.898 4.742 0 40 HJAB Cc1nn(-c2ccccn2)c2c1[C@H](c1ccccc1)N1C(=N2)C(O)=Nc2ccccc21 2260988 SEVATUANDXGNGN-NRFANRHFSA-N 406.449 4.817 0 40 HJAB O=C(O)CS[C@H](C(=O)Nc1ccc(Br)cc1)c1ccc(Cl)cc1 2557508 FJYNFHYERKKKGS-HNNXBMFYSA-N 414.708 4.600 0 40 HJAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccc(C2CCCCC2)cc1 2621232 FGWJPEAPVBFFKU-SANMLTNESA-N 416.521 4.701 0 40 HJAB CCOC(=O)c1cc(-c2cc3ccccc3o2)nn1-c1ccc(Cl)c(C(=O)O)c1 3264401 LIHSWZPMPARCLM-UHFFFAOYSA-N 410.813 4.814 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]32CCOC(C)(C)C2)c(OC)c1 4037641 VRFITYPURADBAC-GBXCKJPGSA-N 408.498 4.533 0 40 HJAB biogenic CCc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2CC)cc1 4138539 AFGGMQATTJMFRD-UHFFFAOYSA-N 405.527 4.740 0 40 HJAB COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(CCCc4ccccc4)C2)C3)cc1 4237512 HDYKYSGPLUKROO-JTHBVZDNSA-N 414.549 4.576 0 40 HJAB biogenic,in-vitro CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(Br)cc1C(=O)O 4819851 FIIOADBBMNRRFZ-GFCCVEGCSA-N 406.276 4.678 0 40 HJAB CCn1c(S[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)nc2ccccc21 5267661 YGZPZKBJFMKJAZ-IBGZPJMESA-N 411.502 4.509 0 40 HJAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 6052125 ORIVVSPASDIUJS-UHFFFAOYSA-N 422.550 4.565 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)NCc1ccccc1 6462346 CXXOHPLLSLEGFJ-UHFFFAOYSA-N 408.885 4.596 0 40 HJAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccc(OC(C)C)c2)cc1 6630411 VGVRCZBZHJDFEE-UHFFFAOYSA-N 418.493 4.893 0 40 HJAB c1cc(-c2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)cs1 7637555 FPMUUQXTHPYIMP-UHFFFAOYSA-N 401.494 4.943 0 40 HJAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)/C=C/c1sc2ccccc2c1Cl 7719886 ARCXTSBNQRAFJU-MMQHEFTJSA-N 417.918 4.916 0 40 HJAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2c(F)cccc2s1 7981669 VEYOTLLEBVNJQD-UHFFFAOYSA-N 409.486 4.719 0 40 HJAB CCc1cc2c3c(c1)[C@]1(SCC(=O)N1c1ccc(F)cc1)C(=O)N3C(C)(C)C[C@@H]2C 8215651 AXRHNUXSDKLLJH-BSEYFRJRSA-N 424.541 4.953 0 40 HJAB C[C@@]1(c2ccccc2)NC(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 8756528 LQRVBXTWVWFNPG-SANMLTNESA-N 422.488 4.507 0 40 HJAB COc1c(Cl)cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1Cl 8992737 JFQKWAYDMCWGNN-UHFFFAOYSA-N 404.297 4.898 0 40 HJAB COc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9071727 LYPSLTUVTMHJIO-UHFFFAOYSA-N 413.477 4.771 0 40 HJAB CCN1C(=O)c2cc(NC(=O)COc3cccc(C)c3)ccc2Oc2ccccc21 9134725 OWBMMTDIZWUXER-UHFFFAOYSA-N 402.450 4.785 0 40 HJAB O=C(COC(=O)/C=C/c1ccc(Br)o1)Nc1cccc(Cl)c1Cl 9335132 ACPDKEBJSIQMQR-FNORWQNLSA-N 419.058 4.544 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1C(=O)Nc1ccccc1)C(=O)N1CCCCCC1 9533708 JMLVPRWEWRJRPY-INIZCTEOSA-N 400.906 4.762 0 40 HJAB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)o1 9722958 VFTMLWNADYIIER-ZWNOBZJWSA-N 407.841 4.896 0 40 HJAB CC(C)[C@@H](NCCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 10139343 VSTBHRLZPBIDRX-HSZRJFAPSA-N 413.949 4.782 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)cc1)N(CCCN(C)C)C3=O 10233144 CMTYIDMZERFZMC-OAQYLSRUSA-N 424.928 4.560 0 40 HJAB COc1cc(C(=O)Nc2ccc3c(c2)OCCCO3)ccc1OCc1ccccc1 11725483 QSQWNOOKVVFOCQ-UHFFFAOYSA-N 405.450 4.688 0 40 HJAB O=C(NCCc1cccc(F)c1)C1(Cc2ccccc2-c2cccnc2)CCOCC1 12088971 OKVSJCAJXXKSIX-UHFFFAOYSA-N 418.512 4.586 0 40 HJAB O=C(CN1CCC(c2nc3cc(Cl)ccc3s2)CC1)NCc1ccccc1F 12747673 MFARTEURZDPOOF-UHFFFAOYSA-N 417.937 4.585 0 40 HJAB COCCc1ccc(-c2csc(NC(=O)c3ccc(-c4nc(C)no4)cc3)n2)cc1 12748450 ZALFFNFTCYWUCG-UHFFFAOYSA-N 420.494 4.610 0 40 HJAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4c(C)nn(C)c4C)c23)cc1 12821939 ZJQOAIXPTQIXFS-UHFFFAOYSA-N 423.567 4.748 0 40 HJAB Cn1c(SCc2c(C(=O)O)sc3cccc(F)c23)nnc1-c1cccs1 12985755 URCVWIWOXQKOIV-UHFFFAOYSA-N 405.501 4.888 0 40 HJAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 14198943 QDMMADIAJGCNIO-LJQANCHMSA-N 413.518 4.584 0 40 HJAB CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3cccs3)cc2c1C 15836335 CFINFMXFGKWTIR-INIZCTEOSA-N 419.524 4.505 0 40 HJAB Cc1cccc(-c2ccccc2C[C@@]2(C(=O)NC(C)C)CCN(C(=O)C(C)C)C2)c1 19235444 RHIWQHNRDQDTDG-SANMLTNESA-N 406.570 4.604 0 40 HJAB CCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)c3cnn(C)c3C)cc2)O[C@@H](C(C)C)C1 19711794 RYEAKXRFWGCCTL-MZYLBHOOSA-N 412.578 4.567 0 40 HJAB Cc1nc(CC2CCN(C(=O)C[C@H]3C=CCC3)CC2)cc(NCc2ccccc2F)n1 19758676 BACCPDWXLPJSDC-IBGZPJMESA-N 422.548 4.674 0 40 HJAB CCOC(=O)c1ccc(NC(=O)CCc2sc(C)nc2-c2cccs2)cc1 19933189 WJMXMVJIKDARIF-UHFFFAOYSA-N 400.525 4.928 0 40 HJAB CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 21871163 RGVCIOLXNMUUKY-UHFFFAOYSA-N 403.482 4.939 0 40 HJAB O=C(Nc1ccc2c3c(cccc13)CC2)C1CCN(C(=O)c2ccc(F)cc2)CC1 24870896 JAGHXDTXHROWGK-UHFFFAOYSA-N 402.469 4.568 0 40 HJAB O=C(/C=C/c1cc(Br)ccc1OC(F)F)OCc1ccc(Cl)nc1 26053012 MKGFBPIDXZATCN-QHHAFSJGSA-N 418.621 4.856 0 40 HJAB O=C(Nc1ccc(F)c(F)c1)C1CCN(Cc2ccc(Br)cc2)CC1 30938404 YJTMSVBEDVOSPA-UHFFFAOYSA-N 409.274 4.578 0 40 HJAB COCc1nnc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)s1 32502388 ALFZZKJDYSAJAW-UHFFFAOYSA-N 417.796 4.869 0 40 HJAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Br)s3)ns2)cc1C 32593754 HUPSLQWAQRDDSU-UHFFFAOYSA-N 424.345 4.663 0 40 HJAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 32900365 OQMKYFBJUVEWMZ-NRFANRHFSA-N 418.493 4.718 0 40 HJAB CCOc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)NC1CCCC1 33013295 NCEMZAZUJIVCJH-UHFFFAOYSA-N 421.497 4.548 0 40 HJAB CCc1nc2sc([C@H](c3cccc(C(F)(F)F)c3)N3CCC[C@H](C)C3)c(O)n2n1 36370436 MZUKNHVZUQMFLD-LRDDRELGSA-N 424.492 4.899 0 40 HJAB O[C@@H](c1ccccc1)C1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 40049885 QEMGPSJFYBVRPN-FQEVSTJZSA-N 417.431 4.701 0 40 HJAB C[C@@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1nnc2ccccn12 52757100 LRIWGOMDJKWSMI-CQSZACIVSA-N 410.399 4.906 0 40 HJAB O=C(CSc1nccn2nc(-c3cccs3)cc12)Nc1cccc(Cl)c1 67290113 GCTVYQHHVWYBMM-UHFFFAOYSA-N 400.916 4.842 0 40 HJAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)c(C)c1 68713061 LFSYDGIIKPPUAK-RUZDIDTESA-N 419.908 4.964 0 40 HJAB O=C(/C=C/c1cc(Br)ccc1F)N1CCC[C@@H]1C[C@H](O)c1cccs1 79045371 YLHRQPVBJUVBDA-AJFISWQDSA-N 424.335 4.778 0 40 HJAB Cc1cc(C(=O)CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c(C)n1CC(F)(F)F 84079590 QVZVMIFINABFCO-LJQANCHMSA-N 414.855 4.577 0 40 HJAB CC[C@@](C)(NC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)c1nccs1 89942125 UAHLDFGEMSETEZ-LJQANCHMSA-N 402.907 4.803 0 40 HJAB CC1(C)C[C@@H](NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C[C@](C)(CNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C1 102196997 BCUCJWQATQBQSA-VTHGHGFQSA-N 414.634 4.676 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C)C=CC[C@H]2C1=O 136688718 LEKPZBHZKPDGRU-CNDZOEFASA-N 416.521 4.765 0 40 HJAB C[C@@H]1c2cc(Br)c3c(c2N(C(=O)OC(C)(C)C)C(C)(C)[C@@H]1O)CCC3 141455140 LKLBCJPIEGADQE-PIGZYNQJSA-N 410.352 4.936 0 40 HJAB O=C(NCc1nc(-c2ccccc2Cl)no1)c1cccc(OCc2ccccc2)c1 218979847 CHTZWVYZMWLZTF-UHFFFAOYSA-N 419.868 4.899 0 40 HJAB Cc1cccc(CN(C(=O)CCCOc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 223805141 MKLNGHJPELTGBN-OAQYLSRUSA-N 422.569 4.630 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)ccc3C)cc2C)cc1 224009874 YMABWNYJNJRJLW-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224315085 RUADNLCCDQVZBW-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(C(C)C)cc1 224362904 PVBZDXPPMKWQRS-PKTZIBPZSA-N 420.582 4.830 0 40 HJAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)n2)cc1 225466696 ZDXXAXQOWRPNIC-QGZVFWFLSA-N 423.513 4.603 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 225515757 YCMCGYDSBLCRHZ-GMAHTHKFSA-N 424.585 4.713 0 40 HJAB O=C(CCc1nc(-c2ccccc2Cl)no1)NCc1ccc(Cl)cc1Cl 225810282 YVFGUKFUJCCMKC-UHFFFAOYSA-N 410.688 4.946 0 40 HJAB Nc1ccc(N2CCCCC2)c(C(=O)Nc2c(F)cc(F)cc2Br)c1 226324704 DSRNTAOHTZILTP-UHFFFAOYSA-N 410.262 4.552 0 40 HJAB O=C(/C=C/c1ccccc1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C12CCCCC2 257302616 SDOKZHSLGWDMED-CNPKUOIJSA-N 400.566 4.993 0 40 HJAB COc1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CC[C@@H](C)O[C@@H]21 257311514 UJWGQOGESDBRLV-ZTNFWEORSA-N 403.519 4.714 0 40 HJAB O=C(c1cccs1)N1CCC[C@@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 306131239 JZCYDYUXGDDOAK-QGZVFWFLSA-N 406.486 4.617 0 40 HJAB O=C1Nc2ccccc2/C1=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 409356275 GINYXIMUAHJLCW-PFONDFGASA-N 405.262 4.552 0 40 HJAB c1cc(CN2CCCC[C@H]2c2cn[nH]c2)ccc1CN1CCCC[C@H]1c1cn[nH]c1 512294548 JDXRLAQCZAJNCM-ZEQRLZLVSA-N 404.562 4.587 0 40 HJAB Cc1nc(O)c(C(=O)NCC(F)(F)c2ccc(Cl)cc2)cc1-c1ccccc1 553257933 VJOAKHOFUNAYEJ-UHFFFAOYSA-N 402.828 4.938 0 40 HJAB C[C@H](N[C@@H]1COc2cc(F)cc(F)c21)c1cccc(OCc2cn3ccccc3n2)c1 680354374 CFOTVNIKIQVBBG-YCRPNKLZSA-N 421.447 4.976 0 40 HJAB COc1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547138640 DLILEFMYIFEZGJ-UHFFFAOYSA-N 413.433 4.868 0 40 HJAB biogenic O=C(Nc1cccc2c1CCNC2=O)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 1678415505 LHWGHZVRJUCZMR-XLIONFOSSA-N 411.933 4.864 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)c1 679141 CGJFDDMPXOKTCG-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB C[C@H](NC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)c1ccccc1 826526 RGHBJAWQAAPWSR-AWEZNQCLSA-N 410.399 4.906 0 40 HJAB O=C(NC[C@@H](Cc1ccccc1F)c1ccccc1)c1nc(-c2cccs2)no1 1431328 GJHMGKKWVRMWMZ-QGZVFWFLSA-N 407.470 4.694 0 40 HJAB COc1ccc([C@H]2c3cc4c(cc3O[C@H](NNc3ccccc3)[C@@H]2C)OCO4)cc1 1642703 WFBVRMMXMLCJRR-BDJFWFNGSA-N 404.466 4.527 0 40 HJAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N 3528805 LUIFYZDXKBSMAF-UHFFFAOYSA-N 423.586 4.811 0 40 HJAB O=C(/C=C/c1ccc(Br)cc1)Nc1cccc(NC(=O)c2ccco2)c1 4503036 WQGBAWJFRHOSPY-DHZHZOJOSA-N 411.255 4.946 0 40 HJAB Cc1ccc(N2C(=O)C[C@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1F 4889959 AEXSWACXIBOWLT-LECGRMGRSA-N 406.501 4.772 0 40 HJAB C[C@@H]1CCCCN1C(=O)CSc1nc(COc2ccccc2)nc2ccccc12 4936828 BQIMOGFZZJWRPU-QGZVFWFLSA-N 407.539 4.702 0 40 HJAB CCOc1ccccc1OCC(=O)Nc1ncc(Cc2ccccc2Cl)s1 5000415 SZKTXSPNLUUBAM-UHFFFAOYSA-N 402.903 4.804 0 40 HJAB COc1ccc(C(=O)CSc2nnc(Nc3c(C)cccc3C)s2)cc1OC 5694647 QSYXCZHILXYXKX-UHFFFAOYSA-N 415.540 4.891 0 40 HJAB O=C(N/C(=C\c1ccc2c(c1)OCO2)c1nc2ccccc2s1)c1ccccc1 5808808 RKVGTGJGUHQPBS-PDGQHHTCSA-N 400.459 4.953 0 40 HJAB COc1cc(C(=S)NCC2(N(C)C)CCCCC2)ccc1OCc1ccccc1 5938923 ABIQLRGWEWDHIH-UHFFFAOYSA-N 412.599 4.804 0 40 HJAB CC[C@@H](c1ccc(OCc2ccccc2)cc1)c1cc2c(cc1OCCO)OCO2 6002107 OJDWFQBMFKVZOP-NRFANRHFSA-N 406.478 4.907 0 40 HJAB Cc1cc(OCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)ccc1Cl 6610785 SVVORGBVRDCKJL-UHFFFAOYSA-N 402.661 4.516 0 40 HJAB Cc1ccc2c(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)cc(=O)oc2c1C 6654427 JMCKADYZKPOQPY-UHFFFAOYSA-N 419.308 4.787 0 40 HJAB Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCOC(C)C)[C@@H]3c1ccccc1F 6743367 IZAOKGYIKINRKL-JOCHJYFZSA-N 423.484 4.909 0 40 HJAB aggregator CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 6843187 YTJUCPCUHACBPQ-LJQANCHMSA-N 413.930 4.894 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2Cn2nc(C)n(-c3ccc(C)cc3)c2=S)c1 7316702 NKQNJCPVJVERRK-NRFANRHFSA-N 424.570 4.832 0 40 HJAB Cc1cc(C(=O)Cn2c(=O)oc3cc(Cl)ccc32)c(C)n1Cc1cccs1 7866629 NPOOJKDIMCSQEY-UHFFFAOYSA-N 400.887 4.659 0 40 HJAB O=C(Nc1cccc(CNC[C@H]2COc3ccccc3O2)c1)c1ccccc1Cl 8328264 GUXNNTDWZSIZQO-SFHVURJKSA-N 408.885 4.522 0 40 HJAB COc1ccccc1-c1n[nH]c(=S)n1NCc1cccc(OCc2ccccc2)c1 8496629 NLZUVORQAGIFRN-UHFFFAOYSA-N 418.522 4.939 0 40 HJAB O=C(Nc1nc(-c2csc(NC(=O)c3cccs3)n2)cs1)c1cccs1 8766638 HOEFJGPIBOAFOF-UHFFFAOYSA-N 418.550 4.894 0 40 HJAB CC(=O)Nc1cccc(NC(=O)Cc2csc(SCc3ccc(F)cc3)n2)c1 8854245 MOTNOWPLQDEQDV-UHFFFAOYSA-N 415.515 4.714 0 40 HJAB O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2)N1c1ccc(N2CCOCC2)cc1 9422119 ZAEOTWPXCLPFHY-QHCPKHFHSA-N 419.912 4.948 0 40 HJAB Cc1cccc(CN2C(=O)N(c3cc(C)cc(C)c3)S(=O)(=O)c3ccccc32)c1 9664377 FFCBJZMJRFRYGF-UHFFFAOYSA-N 406.507 4.947 0 40 HJAB COc1ccc(Cc2nnc(NC(=O)CCSc3ccc(Cl)cc3)s2)cc1 10076322 NMMJFVQAZXSAKR-UHFFFAOYSA-N 419.959 4.912 0 40 HJAB CC(=O)c1cccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N3CCCC3)n2)c1 10213565 VOOYJNAFGKSYOE-UHFFFAOYSA-N 402.502 4.778 0 40 HJAB CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3ccc(OC)cc3)C[C@H]21 10215630 BZARBMCMBGGJRM-ZJSXRUAMSA-N 401.466 4.731 0 40 HJAB CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3ccc(OC)cc3)C[C@H]21 10215648 NGJIEADDSOEYDU-ZJSXRUAMSA-N 401.466 4.731 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 10362765 WWYPMCHZEPPFMH-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB O=C(CSc1ccc2c(c1)OCCCO2)Nc1ncc(C(F)(F)F)cc1Cl 10603454 ZURMRUMSTQCIBD-UHFFFAOYSA-N 418.824 4.646 0 40 HJAB Cc1ccc(OCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1C 11667223 FJSDCTBMYLKUOK-UHFFFAOYSA-N 403.482 4.645 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)sc2c1CCC2 11917567 WKUCTCCNUGVHHS-UHFFFAOYSA-N 416.886 4.974 0 40 HJAB Cc1cc(-c2cnc(NCc3ccccc3-n3ccnc3)nc2-c2cccs2)on1 12087407 QIUUCLIIXYUTEL-UHFFFAOYSA-N 414.494 4.966 0 40 HJAB COc1cc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)cc(OC)c1 12251608 JMZPRKPCMLTVOL-UHFFFAOYSA-N 410.524 4.958 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](c1ccsc1)N1CCCC1 12355689 XVSUYAGTJQEORP-GOSISDBHSA-N 415.946 4.932 0 40 HJAB COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)c(OC)c1 12420002 AUEJSMWFSMIQKH-OAHLLOKOSA-N 409.463 4.605 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 12776969 DEUARJZXQKLFJI-UHFFFAOYSA-N 423.509 4.983 0 40 HJAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(OC)c(Br)c(OC)c1 12822480 CPHSLDPIMKYKDL-AWEZNQCLSA-N 406.320 4.907 0 40 HJAB COc1ccc(-c2noc(-c3ccc(OC)c(OC)c3)c2Br)cc1OC 13640844 RIUMNVIOZHKSOJ-UHFFFAOYSA-N 420.259 4.806 0 40 HJAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3)n2C)cc1 13871288 XEESQINBTFEDDX-INIZCTEOSA-N 410.543 4.557 0 40 HJAB COc1ccccc1[C@H]1CC(=O)c2nnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C1 14164771 WRHMUTWAVWOZKQ-OAHLLOKOSA-N 418.884 4.674 0 40 HJAB COc1ccc([C@@H](C)NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1F 14778115 AUHBTZYDEKVTQR-CQSZACIVSA-N 411.452 4.529 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 15431902 PIOMBLXLNIYXOF-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB COc1cc(/C=C2/SC(=N)NC2=O)cc(Cl)c1OCc1ccccc1Cl 16195799 QIHRGKYISHFUJA-OVCLIPMQSA-N 409.294 4.720 0 40 HJAB COc1ccc(-c2ncc(CN[C@H](Cc3ccsc3)c3ccc(C)cn3)cn2)cc1 19215634 SPYAVLKHOOBYKD-HSZRJFAPSA-N 416.550 4.991 0 40 HJAB CCc1cc(C(=O)N2CCC[C@H]2c2nnc(-c3nccc4ccccc34)o2)cs1 19522122 PIAOKZCNLOWCKZ-SFHVURJKSA-N 404.495 4.886 0 40 HJAB O=C(NC1CCCCCCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 20479582 WDHUPQJLNTUTFF-YOEHRIQHSA-N 410.440 4.979 0 40 HJAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)CCCOc1ccc(C(C)(C)C)cc1 24836009 UMEDLZFJOVQYNY-DYESRHJHSA-N 408.542 4.537 0 40 HJAB CCNC(=O)c1c(NC(=O)c2cc(-c3ccc(C)cc3)on2)sc2c1CCCC2 27662611 FCFLKNSAWFUCFP-UHFFFAOYSA-N 409.511 4.592 0 40 HJAB C[C@H](Nc1nc2ccccc2s1)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 32902868 ZAYRSSAPHJIBIO-NEPJUHHUSA-N 415.469 4.719 0 40 HJAB Cc1sc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1ccc(F)cc1 40129573 SOCDNLBFBBRTES-UHFFFAOYSA-N 418.515 4.692 0 40 HJAB COc1ccc(-c2nc(NCc3ccc4cc(OC)ccc4c3)nc(O)c2C#N)cc1 40130033 AYRUZJUIGRFREY-UHFFFAOYSA-N 412.449 4.503 0 40 HJAB CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1OC 40135076 QWYMQQAMYNLBSW-VSFZPWCASA-N 404.510 4.995 0 40 HJAB CCN(CC)CCN(Cc1cccs1)C(=O)Nc1cc2c(cc1Cl)OCCO2 48273978 VXFJDWCMDBVYFV-UHFFFAOYSA-N 423.966 4.549 0 40 HJAB Cc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3c(C)cccc3C)c2C)c(C)o1 57511200 NCJUPBAIBIEMCD-UHFFFAOYSA-N 415.497 4.776 0 40 HJAB COc1cc(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)cc(Cl)c1OC 58109401 PAPGCPBDNZCRQP-SFHVURJKSA-N 411.889 4.732 0 40 HJAB CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(Cc2cccc3cccnc23)CC1 69814374 RKXRQSFRKWMXFO-QHCPKHFHSA-N 408.590 4.809 0 40 HJAB Cc1noc(C)c1[C@H](C)C(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@@H]1C 72280615 FGESCXLLCXDJMD-ZKNHNOBHSA-N 412.530 4.977 0 40 HJAB Cc1ccc2nc([C@@H]3CCCCN3C(=O)c3ccc(Cn4cc(Cl)cn4)o3)[nH]c2c1 72346795 ZGUSLIKJLPOCJF-IBGZPJMESA-N 423.904 4.730 0 40 HJAB O=C(Nc1ccccc1F)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 77191161 XOMCOKQLPNQDQK-UHFFFAOYSA-N 406.339 4.526 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)c1 95444881 HWOBHVHNYKOURE-GOTSBHOMSA-N 412.530 4.871 0 40 HJAB CCc1c(C(=O)Nc2nc(C(F)(F)F)cs2)cnn1-c1cccc(Cl)c1 97284802 ITFMEZHWHMLXKW-UHFFFAOYSA-N 400.813 4.816 0 40 HJAB CC(C)(C)c1ccc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cc1 98212891 NYESSHUPXOBWNB-UHFFFAOYSA-N 420.532 4.912 0 40 HJAB CCOc1ccc(CNC(=O)c2cccc(OCc3ccccc3)c2)cc1OCC 218977390 GRPYRZSUNUKANI-UHFFFAOYSA-N 405.494 4.993 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 222554163 SXBOCGHYFWAERW-QFIPXVFZSA-N 414.977 4.831 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1C 223083544 XBOCXIAGXUFMQW-ZWKOTPCHSA-N 400.950 4.523 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 223877397 VMTMFNYTKKCSMZ-INIZCTEOSA-N 421.368 4.706 0 40 HJAB CCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224020121 DUBVGAWRPAPPJV-UHFFFAOYSA-N 415.342 4.714 0 40 HJAB CC(C)(C)c1ccc(OCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 224214781 SSJNJMGAGRXCAI-UHFFFAOYSA-N 416.370 4.789 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)cc1 224298522 CWVJXTGXQPWXKC-LJQANCHMSA-N 422.550 4.620 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 224882184 NZJVVWVBJQQWDT-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 225252886 RREJVKSIZSAGJU-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 225466054 RZRCJWQOEBZKIZ-GOSISDBHSA-N 406.526 4.598 0 40 HJAB CCOC(=O)c1cc(NC(=O)C2(OCC)CCC(C)CC2)ccc1OCC(C)C 225834600 BYLVIOMGIMKSGB-UHFFFAOYSA-N 405.535 4.822 0 40 HJAB C[C@H](NC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCC2)n1)c1ccccc1 225957867 DMRDYGUZYNXPOM-SFHVURJKSA-N 424.618 4.505 0 40 HJAB O=C(O)c1ccc(CN(C(=O)c2ccc3sc(Cl)nc3c2)C2CCCC2)o1 225980643 FEMXZKAVZVGRAN-UHFFFAOYSA-N 404.875 4.826 0 40 HJAB Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@H](C)C5=C[C@@H]43)C[C@H]2C)c1 248121600 SAOYGWVUOAMNQH-LFQLFUDDSA-N 422.613 4.820 0 40 HJAB COc1ccccc1CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257208777 BNOCHNCBNOYNND-IBGZPJMESA-N 424.928 4.876 0 40 HJAB FC(F)(F)c1cccc(Cc2ccc([C@H]3CN(Cc4cccnc4)CCO3)nc2)c1 257295340 QXXYJCCSKVSIFN-JOCHJYFZSA-N 413.443 4.660 0 40 HJAB Cc1ccc(OCCn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)cc1C 408573438 SVJYKHZIARLTCK-UHFFFAOYSA-N 404.510 4.532 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 408639821 GDRPNJNPACXYBW-RXVVDRJESA-N 422.525 4.582 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(C)c2)cc1 408699675 YMNWMFAVOXMBJJ-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB CCOc1ccc2nc3sc(C(=O)Nc4ccc(C(C)=O)cc4)c(N)c3cc2c1 711822 GXCBFUOZPOXMJV-UHFFFAOYSA-N 405.479 4.885 0 40 HJAB Oc1ccc(N2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 1080826 YVDHERMNUUNCKQ-UHFFFAOYSA-N 405.523 4.704 0 40 HJAB Nc1c(C(=O)NCc2cccs2)c2nc3ccccc3nc2n1C1CCCCC1 2265114 SKMSGSYWHPLECU-UHFFFAOYSA-N 405.527 4.663 0 40 HJAB O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc2c(c1)OCCO2 2349607 IAURMDLEPFEPOB-UHFFFAOYSA-N 407.813 4.567 0 40 HJAB COc1ccc(-c2ccc(-c3noc(-c4ccc(OC)c(OC)c4)n3)c(OC)n2)cc1 2399605 SKZNCVGEDWVOJS-UHFFFAOYSA-N 419.437 4.500 0 40 HJAB CSc1ncccc1C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1 2664029 GQFJCOJILIAWHS-UHFFFAOYSA-N 410.520 4.750 0 40 HJAB Cn1c(SCC(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccc(Cl)cc1 3375635 OPPUVNSIEQRDAT-UHFFFAOYSA-N 409.845 4.712 0 40 HJAB CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 4936686 GUECPVHEGZHYTI-LJQANCHMSA-N 402.325 4.959 0 40 HJAB COC(=O)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc(OC)c4)=NN32)cc1 5139488 JNSIPKVGNDUFPS-ISKFKSNPSA-N 414.461 4.724 0 40 HJAB O=C(Nc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 5204141 VSWVHVGZLNVYMO-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB CCc1ccc(-c2csc(NC(=O)COc3ccc(C(C)=O)cc3OC)n2)cc1 6220638 KLDTUIKHJMBJDC-UHFFFAOYSA-N 410.495 4.601 0 40 HJAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N1CCc2ccccc21 6531333 HAPCMFJGIQZORM-INIZCTEOSA-N 419.550 4.582 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)CCSc1ccc(F)cc1 6650011 ZVXGSGSJYNKLOW-UHFFFAOYSA-N 419.518 4.796 0 40 HJAB COc1ccc([C@@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2cccc(C)c2)cc1OC 6679123 AEKANYRMQWPEKE-BTYIYWSLSA-N 423.538 4.670 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(C)c1 6944245 LIAWVRZBDPTFEN-UHFFFAOYSA-N 419.506 4.808 0 40 HJAB Cc1cc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c(C)cc1Br 7882192 YMSFUOUPPRUHSG-RDJZCZTQSA-N 415.331 4.614 0 40 HJAB COc1ccc(CCNC(=O)CSCc2c(Cl)cccc2Cl)cc1OC 8164235 YAJCDBKLXMPXHK-UHFFFAOYSA-N 414.354 4.603 0 40 HJAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc12 8231419 SCPPQXMZXAKCNC-UHFFFAOYSA-N 424.570 4.553 0 40 HJAB Cc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2c(-c4ccccc4F)ccc(=O)n2C3)cc1 8300298 BKVGTMDLWVCKSG-ZWKOTPCHSA-N 417.484 4.614 0 40 HJAB biogenic,in-vitro Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc4c(c3)OCCCO4)c2Cl)cc1 8395678 DRDXCSQAPNESJI-UHFFFAOYSA-N 411.889 4.615 0 40 HJAB CCc1ccc(-c2n[nH]c(SCC(=O)c3ccc(Br)s3)n2)cc1 8484042 AJUHYWHWXVJXJS-UHFFFAOYSA-N 408.346 4.833 0 40 HJAB CCc1nnc(CSc2nc3sc4c(c3c(=O)n2CCC(C)C)CCCC4)o1 9112860 FWTVNRBKPLANAL-UHFFFAOYSA-N 418.588 4.621 0 40 HJAB CCOc1ccc(NC(=O)CSCCOc2cccc(Cl)c2)cc1OCC 9516615 WLLTYMSCCRPKPX-UHFFFAOYSA-N 409.935 4.888 0 40 HJAB Cc1nc([C@H](Cc2ccsc2)NC(=O)c2c(-c3cccnc3)noc2C)sc1C 12228174 SLPSOPVFVDEXKB-KRWDZBQOSA-N 424.551 4.894 0 40 HJAB Cc1ccnc(-n2c(S[C@H](C)C(=O)c3ccc(F)cc3)nc3ccccc3c2=O)c1 12551099 APGCDBIUAXEHLQ-OAHLLOKOSA-N 419.481 4.592 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 12559741 HXYYVURFGKNUBK-XIKOKIGWSA-N 422.287 4.539 0 40 HJAB C[C@H](NC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)c1ccco1 12568045 BCBUBBADRNUAKU-INIZCTEOSA-N 410.543 4.878 0 40 HJAB O=C(c1ccc2ccccc2c1)N1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 12938215 VKMCTYQIFDLUTO-UHFFFAOYSA-N 415.468 4.592 0 40 HJAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)CC2 13576673 AFCDQFMNNKOSHS-CHWSQXEVSA-N 424.324 4.924 0 40 HJAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 13748248 HHCOPXVNGAMPHL-NAZSJPOASA-N 400.906 4.861 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc(F)cc1 13752227 YYRMEMFAUXXGHP-QHAWAJNXSA-N 422.843 4.530 0 40 HJAB O=C(CSc1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 14246258 VDCCOXJAHNRDSN-GOSISDBHSA-N 403.931 4.957 0 40 HJAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)c3ccccc3C)cc2)cc1 14552650 GDVCMZCLENVXIX-KRWDZBQOSA-N 404.466 4.662 0 40 HJAB CNS(=O)(=O)c1cc(-c2nnc(Nc3ccccc3C)c3ccccc23)ccc1C 17122424 BVNVWWFTFNHLEK-UHFFFAOYSA-N 418.522 4.565 0 40 HJAB Cc1cc(C)n(CCCC(=O)N[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)n1 19574149 PVHOYRFSAVNHMQ-SFHVURJKSA-N 402.589 4.515 0 40 HJAB COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)c(C)c1C 19577337 JJKKJDIFSMJYBC-WIOPSUGQSA-N 421.585 4.577 0 40 HJAB COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C2CCCCC2)nc1C 19753470 RUXJSZOEGIITNI-OAQYLSRUSA-N 408.546 4.906 0 40 HJAB COc1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c(OC)c1 20046758 MWAQQHKWCMXAPP-UHFFFAOYSA-N 402.494 4.909 0 40 HJAB O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(Cc1ccccn1)CO3 20567033 KCNBKLUCOWRWEE-UHFFFAOYSA-N 404.853 4.861 0 40 HJAB CN1C[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(Cl)cc12 20567606 ASQFCOLZFPITDH-OPJGWUQDSA-N 416.908 4.716 0 40 HJAB CCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 21576149 GTSQBJGRKZOCDQ-UHFFFAOYSA-N 419.525 4.914 0 40 HJAB CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCc4ccccc4C3)c(O)n2n1 22855067 CWUAYUDHTRQKNA-HXUWFJFHSA-N 404.539 4.515 0 40 HJAB Cc1nc(C(C)(C)C)nc2sc(C(=O)Nc3cccc(-c4nnco4)c3)c(C)c12 24739347 WSSKARHODOIKNP-UHFFFAOYSA-N 407.499 4.908 0 40 HJAB C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)[C@@H]1CCCO1 27873395 LZGJTEMWSDYURM-IERDGZPVSA-N 409.917 4.549 0 40 HJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 29797531 JICBWQAJHYDXPG-BEFAXECRSA-N 401.890 4.632 0 40 HJAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1ccc2c(c1)Cc1ccccc1-2 32902332 ZQJIFEAHZZPAAV-UHFFFAOYSA-N 404.520 4.879 0 40 HJAB O=C(CCC1CCCC1)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 33038118 BNMLXWAMLDABTA-UHFFFAOYSA-N 403.526 4.985 0 40 HJAB CCN(CC)Cc1cccc(CNC(=O)c2cnn(-c3ccccc3C)c2C2CC2)c1 40139413 WPSQTJWNYXTYJR-UHFFFAOYSA-N 416.569 4.830 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC(C)(C)C3)cc2Cl)cc1 44848575 JUOMUKFOUUKVON-UHFFFAOYSA-N 420.962 4.711 0 40 HJAB CCc1cc(=O)n(CC(=O)Nc2ccccc2C(C)C)c(-c2cccc(Cl)c2)n1 57527838 ZELQFIHWVCSKBY-UHFFFAOYSA-N 409.917 4.888 0 40 HJAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1C 57528116 RDZFCWAJOHCKBO-UHFFFAOYSA-N 420.271 4.612 0 40 HJAB CCN1CCN(c2ccc(NC(=O)N(Cc3ccc(C)cc3)C3CC3)cc2C)CC1 57866264 XMWMZGRCDOYFHY-UHFFFAOYSA-N 406.574 4.642 0 40 HJAB CC(C)(C)c1nc(C(C)(C)NC(=O)c2cnc(-c3ccccc3Cl)s2)no1 65403215 JCYJOQMXHBTOFM-UHFFFAOYSA-N 404.923 4.809 0 40 HJAB C[C@@H](CCc1ccccc1)Nc1c(C(=O)N2CCOCC2)cnc2ccc(Cl)cc12 67288427 SIXWIZLASXFHQI-KRWDZBQOSA-N 423.944 4.794 0 40 HJAB CCOc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)NCc2ccco2)cc1 67298960 KXYYHQHBOPUZNU-LCUIJRPUSA-N 418.449 4.596 0 40 HJAB CC(=O)c1cccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)c[nH]c23)c1 71328175 CWLUNGSSKSCCEN-UHFFFAOYSA-N 420.469 4.697 0 40 HJAB CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(CC2CCCCC2)CC1 72345259 QEUJNHMYUWEASR-UHFFFAOYSA-N 405.586 4.700 0 40 HJAB Cc1nccn1-c1ccc([C@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 79048569 DBNCJVWBZMQYEC-ZDUSSCGKSA-N 424.353 4.668 0 40 HJAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@H]4c2ccco2)cc1 85876497 FABFMCFQHQQVDU-HNNXBMFYSA-N 418.401 4.511 0 40 HJAB biogenic Cc1nc2ccc(NC(=O)C34C[C@@H]5C[C@H](CC(Br)(C5)C3)C4)cc2nc1C 100183982 QGZXENKHPQTHGI-LDSOLPTJSA-N 414.347 4.919 0 40 HJAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c1 211972021 HCAKBLHHFNTWEO-LICLKQGHSA-N 400.887 4.632 0 40 HJAB O=C(NCCOc1ccc2ccccc2c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 223637714 UBXGJKPQTQIBBR-QFIPXVFZSA-N 422.956 4.900 0 40 HJAB CCOc1ccc(-c2noc(CNC(=O)CCc3c(Cl)cccc3Cl)n2)cc1 225364814 SHZLZAGBUSYFTN-UHFFFAOYSA-N 420.296 4.691 0 40 HJAB CCCOc1ccc(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc23)cc1C 231426873 LNGHCMUKWKRKMA-UHFFFAOYSA-N 422.550 4.583 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 408649041 ZFHVNYUBAGNGHC-MRXNPFEDSA-N 415.331 4.620 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1 408738951 XIBKPBYVWINKOV-GHTZIAJQSA-N 412.530 4.741 0 40 HJAB Cc1ccc(CN(c2ccc(C(=O)Nc3cccc(C)c3C)cc2)S(C)(=O)=O)cc1 409026782 YAIQCAFQBFMEKA-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB Cc1cccc(-n2c(SCC(=O)N3[C@H](C)CCC[C@H]3C)nnc2-c2ccncc2)c1 409096250 JXNTZZSJCRUYBQ-QZTJIDSGSA-N 421.570 4.519 0 40 HJAB COc1cc2c(cc1OC)[C@H](NC(=O)[C@H](C)c1ccc(C[C@H]3CCCC3=O)cc1)CC2 1614475141 QHCBMIKLZYFYHU-BSLALVQMSA-N 421.537 4.523 0 40 HJAB CC(C)c1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 627381 OOQFCMGZQKECHQ-RTBURBONSA-N 406.482 4.668 0 40 HJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCC(=O)c1ccc(Br)cc1 820316 QFEWJBXYIAGJTG-LBPRGKRZSA-N 411.679 4.604 0 40 HJAB Cc1sc(CO)c(-c2c(CO)sc(C)c2Br)c1Br 984457 HQTBWVPBGLPKJE-UHFFFAOYSA-N 412.168 4.603 0 40 HJAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4c(F)cccc4F)c23)C1 1465341 CMAUAMKYABGOCR-JTQLQIEISA-N 405.495 4.825 0 40 HJAB Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2)c1 2368035 YCWFNJWDFHYSSW-FQEVSTJZSA-N 402.837 4.900 0 40 HJAB O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccccc1)N2)c1ccco1 2419201 ADNPCRIESJVMON-QZTJIDSGSA-N 419.872 4.923 0 40 HJAB CC(C)c1nc2sc3c(N(CCO)Cc4ccccc4)ncnc3c2c2c1CCC2 2428351 PDYYAXISUBUAID-UHFFFAOYSA-N 418.566 4.851 0 40 HJAB COc1cc2c(cc1NC(=O)COC(=O)/C=C/c1ccccc1)oc1ccccc12 3259234 IYLYMRXZRNIDDB-VAWYXSNFSA-N 401.418 4.790 0 40 HJAB aggregator Cc1cccc(C)c1Nc1nnc(SCC(=O)NCCCc2ccccc2)s1 3274863 CXCDXFNOVQYJQE-UHFFFAOYSA-N 412.584 4.740 0 40 HJAB Cc1ccc(-n2c(S[C@@H]3CCOC3=O)nnc2-c2ccc(Cl)cc2)cc1Cl 3329227 CFTPBGGANMEFGL-MRXNPFEDSA-N 420.321 4.957 0 40 HJAB CCOc1ccccc1C(=O)NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1 4315784 VBYRTVWNWBJUGG-UHFFFAOYSA-N 401.919 4.651 0 40 HJAB Cc1cccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccc(Cl)cc2)c1 4500180 ZCVFFEMDRPRXHP-UHFFFAOYSA-N 414.962 4.760 0 40 HJAB COc1cccc(C(=O)Nc2cccc(-c3nnc(-c4cccc(OC)c4)o3)c2)c1 4722494 URECCFDGWRGXNJ-UHFFFAOYSA-N 401.422 4.673 0 40 HJAB Cc1nn(-c2ccccc2)c2ncc(C(=O)NCc3ccccc3Cl)c(Cl)c12 4941144 ANIPUOSKCBURLA-UHFFFAOYSA-N 411.292 4.966 0 40 HJAB COc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)C2)cc1 5359621 KKQVXHHNGCODNA-QFIPXVFZSA-N 401.422 4.595 0 40 HJAB CCc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2[C@@H](C)COC)cc1 5985110 ADABJAIWQLLCIU-JKSUJKDBSA-N 410.539 4.530 0 40 HJAB COc1cc(C(=S)N2CCOCC2)ccc1OCc1ccc(Cl)c(Cl)c1 6181269 JPPSABOCHIVJFN-UHFFFAOYSA-N 412.338 4.589 0 40 HJAB CCOC(=O)c1ccc(NC(=S)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)cc1 6242379 BLHHKFRKUPWTRE-UHFFFAOYSA-N 424.570 4.794 0 40 HJAB Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](C)CCc4ccccc4)c(C)c3cc12 6623816 DALYDAZGUYAUHE-MRXNPFEDSA-N 403.478 4.836 0 40 HJAB biogenic O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1ccc(F)c(Cl)c1 6789702 TVAIQKXGPFLWBP-UHFFFAOYSA-N 405.669 4.559 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 7157674 QQOQGYXJCRJICJ-HUUCEWRRSA-N 418.896 4.900 0 40 HJAB Cc1cccc(C)c1N1C(=O)N(Cc2cccc(F)c2)c2ccccc2S1(=O)=O 7615875 IATCTXWYJMJESD-UHFFFAOYSA-N 410.470 4.778 0 40 HJAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1ccc(N2CCCCCC2)cc1 8135561 XWAPKLYOFIKZLX-UHFFFAOYSA-N 415.950 4.723 0 40 HJAB CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 8316562 MLCWYIJYQMGNDR-UHFFFAOYSA-N 420.962 4.719 0 40 HJAB Cc1ccc2c(CC(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)coc2c1C 8412758 BBOWXYURMVJXIY-UHFFFAOYSA-N 419.308 4.996 0 40 HJAB Cc1cc(C(F)(F)F)c2c(N)c(C(=O)NCCc3c[nH]c4ccccc34)sc2n1 8748704 LPHMVBFMKNIVIU-UHFFFAOYSA-N 418.444 4.660 0 40 HJAB Cc1csc(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCCC4)n1 9111556 RKNWGDXQMSITGY-UHFFFAOYSA-N 412.462 4.793 0 40 HJAB COc1ccccc1N1CCN(C(=S)Nc2ccc(Nc3ccccc3)cc2)CC1 9877197 YLRARNAUSCALRV-UHFFFAOYSA-N 418.566 4.958 0 40 HJAB O=C(Nc1ccc2c(c1)CCC2)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 10442848 ALPIVAYPEOVFEG-UHFFFAOYSA-N 403.931 4.554 0 40 HJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 11115130 FQZLKMGZEVMLFH-VXKWHMMOSA-N 407.539 4.820 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(C)cc2)OC3=O)cc1 11666582 YMARHKLYRZZHKK-HSZRJFAPSA-N 414.461 4.660 0 40 HJAB CC(C)c1nc2oc3c(=O)n(CCc4ccccc4)cnc3c2c2c1COC(C)(C)C2 12322407 FJIFKLOTHZSMGL-UHFFFAOYSA-N 417.509 4.755 0 40 HJAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)cc12 12580884 VOIKGFMIAIZZBB-SFHVURJKSA-N 407.543 4.916 0 40 HJAB CCCN(C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)[C@@H]1CCS(=O)(=O)C1 12816421 KUXLDKYUOXZBGZ-TUPIDYKKSA-N 423.987 4.507 0 40 HJAB COc1ccccc1NC(=O)c1nnc2c(-c3cccc4ccccc34)c(C)nn2c1C 13635681 KXGKZLWMGAFMGR-UHFFFAOYSA-N 423.476 4.822 0 40 HJAB CC[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(c1ccccc1)S(C)(=O)=O 13711073 DXSYFMYJHAVOPN-JOCHJYFZSA-N 424.522 4.662 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 15931207 ORDAOOOJFRTHML-LWYUSKRHSA-N 405.329 4.828 0 40 HJAB Cc1cc(NC(=S)NC(=O)c2ccc(F)cc2)cc(-c2nc3ccccc3o2)c1O 17092657 CJQIEPPSLAIMLD-UHFFFAOYSA-N 421.453 4.775 0 40 HJAB CCCCc1ccc(S(=O)(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)cc1 17092844 HFBGGAMBGWTWHB-UHFFFAOYSA-N 421.925 4.867 0 40 HJAB CC(C)n1c([C@@H](C)NC(=O)C2(c3ccccc3F)CCOCC2)nc2ccccc21 19662224 OKOJLPKGKAJYIW-QGZVFWFLSA-N 409.505 4.682 0 40 HJAB CCOc1ccccc1CNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 20492463 HWZMFINMQIZDPO-UHFFFAOYSA-N 400.522 4.574 0 40 HJAB O=C(O)c1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 21841686 JQSMIXVRXHQPEK-ZROIWOOFSA-N 420.277 4.879 0 40 HJAB Oc1c([C@@H](c2ccc(F)cc2)N2CCC(Cc3ccccc3)CC2)sc2ncnn12 22609667 VAFGVFGKEJIDLM-HXUWFJFHSA-N 422.529 4.680 0 40 HJAB O=C(Nc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)s1)c1ccco1 23691588 ZKAYUADMXGTRFY-UHFFFAOYSA-N 410.451 4.887 0 40 HJAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Nc1ccc(Cc2nc3ccccc3s2)cc1 24831686 NQHBVWVLAKDBEO-OAHLLOKOSA-N 419.554 4.677 0 40 HJAB Oc1nc(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)nc2c1oc1ccccc12 27574665 RXZBVRHKIBRTAS-UHFFFAOYSA-N 417.465 4.755 0 40 HJAB CCOc1ccc([C@H](NC(=O)CCCNC(=O)c2cccs2)c2ccccc2)cc1 32914829 QGLAGNGUWKMZDO-HSZRJFAPSA-N 422.550 4.563 0 40 HJAB C[C@@H](NC(=O)c1ccccc1COc1ccccc1)C(=O)Nc1ccc(Cl)cc1 32926439 UMUHQTJAYWFSIX-MRXNPFEDSA-N 408.885 4.676 0 40 HJAB O=C(Nc1ccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc1)[C@@H]1CCCO1 40133137 SAGVQAXYUOAYBN-GOTSBHOMSA-N 416.477 4.563 0 40 HJAB CC(C)Cn1ccc2cc(NC(=O)NCCc3cc(F)cc4c3OCOC4)ccc21 58327744 UWECZEJEPVORCK-UHFFFAOYSA-N 411.477 4.667 0 40 HJAB CCN(C(=O)Nc1ccc(NC(=O)OC)cc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 79067809 SAMLGIHCWFIGND-LAUBAEHRSA-N 410.518 4.554 0 40 HJAB O=S(=O)(Nc1cc(F)ccc1F)c1cc(Br)cc(C(F)(F)F)c1 98073034 UYKCONPZFPZJOT-UHFFFAOYSA-N 416.165 4.547 0 40 HJAB C[C@H](NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)[C@H]1C[C@H]2CC[C@H]1C2 102636469 DVINDJUGXNNONL-XDQVBPFNSA-N 418.419 4.563 0 40 HJAB O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1ccc2c(c1)OCCCO2 104909992 ZEZAMPQSCWQUME-LDSOLPTJSA-N 420.347 4.910 0 40 HJAB O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 169708673 BZDAXARBZUSXCH-FMCYAAFGSA-N 402.538 4.892 0 40 HJAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(I)cc2)cc1C 170569608 XNWWHAJFGGKIKX-UHFFFAOYSA-N 407.251 4.510 0 40 HJAB COCCn1c(-c2ccccc2)cnc1NCc1c(F)cccc1Br 199420674 ZHYKZQBOQNSYIM-UHFFFAOYSA-N 404.283 4.710 0 40 HJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 219353588 ZXURCCRJPVEGSN-OAQYLSRUSA-N 401.466 4.706 0 40 HJAB CCOc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)c1 222829254 HCGIKHRYWSXAKU-QNGOZBTKSA-N 406.507 4.865 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 222829955 CBSDGQYEKRFTPU-OAHLLOKOSA-N 407.341 4.827 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 223640193 YZVJHBRPOXBMHF-KRWDZBQOSA-N 418.990 4.684 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1)c1ccccc1C 223945627 SBIOFEKOYFHDCY-QFIPXVFZSA-N 422.550 4.985 0 40 HJAB CCCSc1nnc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)s1 224642724 XYVBADRXHGOANN-UHFFFAOYSA-N 410.996 4.544 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224653869 AAUMRRYFYHRSMQ-HXUWFJFHSA-N 408.586 4.860 0 40 HJAB Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224668904 JBOHPKUIHKJSDY-NRFANRHFSA-N 422.569 4.548 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)N[C@H](C)CC)cc1 225374377 AISSRBPOBQMEFZ-UXHICEINSA-N 424.585 4.522 0 40 HJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225734592 SQVMYWLVQCQDPP-YKSBVNFPSA-N 404.595 4.967 0 40 HJAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(OC)cc2OC)cc1OCC 225749596 UZLFJQKFLMJUQT-CQSZACIVSA-N 404.532 4.549 0 40 HJAB Cc1nc2nc3ccn([C@@H]4CCC[C@H](C)[C@H]4C)c(=O)c3c(-c3ccc(F)cc3)n2n1 253564563 GQUFVIMCKZPHRD-IQUTYRLHSA-N 405.477 4.551 0 40 HJAB CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(Cc2ccccc2)CC1 257245384 IPFPQSOXDUBRIM-UHFFFAOYSA-N 413.565 4.710 0 40 HJAB O=C(COc1ccccc1)N1CCC[C@@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 257262691 LMLFSDJVTNMWEM-LJQANCHMSA-N 422.475 4.736 0 40 HJAB O=C(NCc1ccccn1)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 257286985 PNYDYNYPPSDCOQ-UHFFFAOYSA-N 422.475 4.683 0 40 HJAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccccc1)CN(C(=O)c1cccc(Cl)c1)CCO2 257291331 QGMXJFHVIKLKKU-FIXSFTCYSA-N 413.945 4.985 0 40 HJAB COc1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)O)cc1 408633599 OCJUHZBWOGBKRH-SXGWCWSVSA-N 418.858 4.625 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)cc1C 408647890 XVIVIGIWDHEFNA-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB CCOc1ccc(Br)cc1C[C@@H]1SC(=O)N(Cc2ccccc2)C1=O 409139266 BMYPSQRBQBIZNL-KRWDZBQOSA-N 420.328 4.655 0 40 HJAB c1ccc(-c2cnc(Nc3cccc(C[C@@H]4COC5(CCNCC5)C4)n3)s2)cc1 585263250 SEWVAALNYXQSGL-KRWDZBQOSA-N 406.555 4.650 0 40 HJAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1c(-c2ccccc2)nc2ncccn12 606422323 NNFNPSILGQTUIO-HIFRSBDPSA-N 401.297 4.926 0 40 HJAB CCCN1CCCCN(C(=O)C(C)(C)C)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643562450 UTKUVCXAEGZBQD-IRLDBZIGSA-N 414.590 4.897 0 40 HJAB CC(C)[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)CCC1CCCC1 643567039 MJFHTJPMJCCUPT-JOCHJYFZSA-N 414.590 4.755 0 40 HJAB COc1cccc(CN2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)c1Cl 1888866360 LOAXROLXIYUHND-GJZGRUSLSA-N 410.743 4.676 0 40 HJAB Cc1cc(F)ccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 919309 ZJLFUBSIGDDSQU-BBRMVZONSA-N 408.355 4.836 0 40 HJAB O=C(Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1)C1CCCCC1 1363075 GPQHWCPLYZFPLR-UHFFFAOYSA-N 401.510 4.841 0 40 HJAB Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1C 1379919 QWBFIGBPRDCFHF-JOCHJYFZSA-N 406.482 4.936 0 40 HJAB COc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)c1 2707268 GEVQATVEGQLRGU-FCHUYYIVSA-N 414.490 4.561 0 40 HJAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(N(C)C)cc1)c1ccccc1 3263849 NGBHMUVCEXFXML-HSZRJFAPSA-N 418.493 4.688 0 40 HJAB aggregator COc1ccc(CNC(=O)Cc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)cc1 4084584 VQUJZDQHKASIAB-UHFFFAOYSA-N 419.477 4.640 0 40 HJAB biogenic COc1ccc(C(=O)N[C@H](C(=O)Nc2ccccc2C)c2ccc(Cl)cc2)cc1 4616804 NFSCSYKKXASGQF-NRFANRHFSA-N 408.885 4.767 0 40 HJAB O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)Nc1ccccc1 4678158 JVOGIBSTVUFZFN-UHFFFAOYSA-N 414.534 4.783 0 40 HJAB COc1ccc(OCC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 5670599 FOCQQJVCCSJCOS-UHFFFAOYSA-N 406.463 4.695 0 40 HJAB CN(C)c1ccc([C@H](CNC(=O)c2cccc(F)c2)c2c[nH]c3ccccc23)cc1 5688272 KSDBBBVPDOIYBB-QFIPXVFZSA-N 401.485 4.935 0 40 HJAB O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1C(F)(F)F 6087900 CEGQLUVZBOROSD-UHFFFAOYSA-N 407.885 4.854 0 40 HJAB Cc1nnc(S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)O)[nH]1 6129889 NOQPIWMLWXNCMA-YVLHZVERSA-N 401.875 4.563 0 40 HJAB COCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccc(C)cc1 6665005 SUNFSQYUZHPWTI-UHFFFAOYSA-N 402.498 4.855 0 40 HJAB COc1ccc([C@H](NC(=O)Cc2coc3cc(OC)ccc23)c2ccccc2)cc1 6879716 QSYJFRZUQDCMOT-RUZDIDTESA-N 401.462 4.898 0 40 HJAB Cc1ccc(Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3c2c2cc(C)ccc2n3C)cc1 6900353 KUIKJUWGFRBSKD-UHFFFAOYSA-N 423.516 4.618 0 40 HJAB Cc1ccccc1C(=O)Nc1ccccc1SCc1cc(=O)n2ccsc2n1 7007210 ZQVDTWDGHLSLTH-UHFFFAOYSA-N 407.520 4.609 0 40 HJAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc2c(c1)OCCCO2 7544401 UMKSAMYGNPKESU-UHFFFAOYSA-N 406.916 4.842 0 40 HJAB COc1ccc(CCn2c(C)cc(C(=O)CSc3nnc(C)n3C3CC3)c2C)cc1 7617518 MNNHHAYVUQZXLE-UHFFFAOYSA-N 424.570 4.566 0 40 HJAB COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3cc(Cl)ccc3OC)ccc2c1 7926706 ALTVKQYTTRZLEM-HNNXBMFYSA-N 412.917 4.969 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccccc1 7979569 SXXNSJRKEIPSHV-UHFFFAOYSA-N 416.934 4.666 0 40 HJAB c1ccc(Oc2ccc(Nc3nnc(SC[C@H]4CCOCO4)s3)cc2)cc1 8089119 FPZKKXCUYWCGFB-QGZVFWFLSA-N 401.513 4.929 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)NC3CCCCCC3)o2)cc1 8193964 UMZAISRYXSOYCQ-MRXNPFEDSA-N 416.591 4.902 0 40 HJAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8369085 MAFYPQLPHFIVNW-IBGZPJMESA-N 406.507 4.949 0 40 HJAB CC(=O)Nc1cccc(NC(=O)c2c(O)nnc(-c3ccccc3)c2-c2ccccc2)c1 8844304 WSVQMWOJLXIISD-UHFFFAOYSA-N 424.460 4.727 0 40 HJAB Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3CC(=O)O)c3ccccc3n2C)cc1 9190739 KMZVWRUKDSQUCI-VWLOTQADSA-N 410.473 4.784 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2nc3ccc4nc(SC)sc4c3s2)c1 9404741 NSVSAQNWXLFJTC-UHFFFAOYSA-N 417.537 4.897 0 40 HJAB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1cccc(Cl)c1Cl 9562215 CDDKKYRACOVMKS-UHFFFAOYSA-N 418.063 4.535 0 40 HJAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)c(F)c1 11006919 NOHVWAMMTFCYBP-UHFFFAOYSA-N 418.468 4.783 0 40 HJAB CN1C(=O)c2cccc3c(S(=O)(=O)Oc4cc(Cl)ccc4Cl)ccc1c23 11691617 VCBAYZYKMXVRJW-UHFFFAOYSA-N 408.262 4.504 0 40 HJAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 12780132 HXGFMAAMKIMOCF-ZDUSSCGKSA-N 416.934 4.537 0 40 HJAB O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1ccc(Cl)cc1F 12891646 QTAUGQJRESHDDZ-UHFFFAOYSA-N 408.658 4.739 0 40 HJAB CC(C)(C)[C@H]1CCc2c(sc3ncc(NC(=O)c4ccc(Cl)cc4)c(=O)n23)C1 14291528 ANMMJPOTDWKFJY-ZDUSSCGKSA-N 415.946 4.813 0 40 HJAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C 16031299 DKFSENSUQISSIR-KZULUSFZSA-N 417.502 4.563 0 40 HJAB biogenic Cc1ccc2oc(C(=O)N3CCC[C@]4(CCC(=O)N4)[C@H]3c3ccc(F)cc3)cc2c1 19221326 XCEZZNDGCDZFHC-VWNXMTODSA-N 406.457 4.506 0 40 HJAB C[C@@H](NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1cc2ccccc2o1 19292895 ADXSEDUHVIPRHF-SNVBAGLBSA-N 421.309 4.752 0 40 HJAB O=C(C1CC1)N1CCC(c2cc(Oc3ccc(F)cc3)nc(-c3cccnc3)n2)CC1 19340929 QAOMUUBSYWVCPD-UHFFFAOYSA-N 418.472 4.586 0 40 HJAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCN2C(=O)Cc2cccc(F)c2)n1 19525657 LWTSTEALOSYDCI-HXUWFJFHSA-N 422.504 4.746 0 40 HJAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccccc2)C1 19579552 ROXPAVJLOUPJTE-MHZLTWQESA-N 413.565 4.662 0 40 HJAB C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)NCCc1nc(C(C)(C)C)cs1 19661605 QLAUXRZFLKNLSF-LBPRGKRZSA-N 400.466 4.586 0 40 HJAB CCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)c3ccc(N)nc3)cc2)O[C@@H](C(C)C)C1 19711856 UPIZIDBSISADDQ-VSKRKVRLSA-N 410.562 4.503 0 40 HJAB C[C@@H](CCN1CCC(Cc2nn(C)cc2C(=O)NC2CCCC2)CC1)c1ccccc1 19756413 KURIZYXCGMBHIL-FQEVSTJZSA-N 422.617 4.541 0 40 HJAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCC[C@@H](c4nc5ccccc5s4)C3)c2c1 20745798 HHZZVUFEYUXDOR-SPLOXXLWSA-N 421.522 4.792 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 24260972 ZSWXEHGYTXEPSN-UHFFFAOYSA-N 416.506 4.837 0 40 HJAB Cc1ccc2c(Cl)c(C(=O)N3CCCN(CCc4ccncc4)CC3)sc2c1 27748210 WCXORNZBDISQFX-UHFFFAOYSA-N 413.974 4.649 0 40 HJAB COc1ccc(Cc2nc(SCC(=O)Nc3cccc4ccccc34)no2)cc1 28527246 DLSWEUYBXQZSBM-UHFFFAOYSA-N 405.479 4.553 0 40 HJAB COc1cc(CCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc(OC)c1OC 29240535 WJMHXYDKMIAFLE-ZDUSSCGKSA-N 411.420 4.541 0 40 HJAB C[C@@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nc(-c2ccco2)no1 29740025 SQDFWHUXTKRPKP-OAHLLOKOSA-N 422.514 4.754 0 40 HJAB Cc1nc2cc(NC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)ccc2o1 29796233 GCZHTWDATGYIPH-UHFFFAOYSA-N 413.477 4.780 0 40 HJAB CC1=C[C@@H](CN2CCC(O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 30882792 VSLICPOURRGUDU-FUDKSRODSA-N 409.574 4.590 0 40 HJAB biogenic,in-vitro COc1cc2cc3c(N)c(C(=O)Nc4c(C)cccc4C)sc3nc2cc1OC 35288901 NDXOFJIFXYZHEE-UHFFFAOYSA-N 407.495 4.918 0 40 HJAB CCOCCCC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 40132462 UUKRNMXUEDDGMM-LJQANCHMSA-N 405.420 4.604 0 40 HJAB O=C1C[C@@H](C(=O)Nc2ccccc2N2CCc3sccc3C2)c2ccc(F)cc2N1 40134138 FAWXRVIJPDTQRQ-QGZVFWFLSA-N 421.497 4.514 0 40 HJAB COc1ccc(CN2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccccc2F)cc1 40485385 QNDBVFXZWKOFEC-QHCPKHFHSA-N 419.452 4.896 0 40 HJAB CC(C)Oc1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44916450 SLMZOWVSDVZZCP-JOCHJYFZSA-N 412.549 4.574 0 40 HJAB CC(=O)Nc1cccc([C@@H](C)OC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c1 48309356 MHULTSQGQRHQND-OAHLLOKOSA-N 422.506 4.555 0 40 HJAB O=C(CNc1ccc(SC(F)F)cc1)N1N=C(c2ccco2)C[C@H]1c1ccco1 57866515 IYLPYKZVQSBPRF-INIZCTEOSA-N 417.437 4.977 0 40 HJAB CN(CCCNC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1 58023016 IJHDDCMHKWIIHN-UHFFFAOYSA-N 402.498 4.587 0 40 HJAB Cc1cc(=O)oc2cc(NC(=O)N(C)Cc3ccccc3Br)ccc12 58158853 BCFCOSBZUVDQQC-UHFFFAOYSA-N 401.260 4.528 0 40 HJAB CSc1ccc(-c2noc(-c3nn(-c4ccccc4)c(=O)c4ccccc34)n2)cc1 64949578 VLIZYZQYDBCYNH-UHFFFAOYSA-N 412.474 4.825 0 40 HJAB COc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)cc1 67259897 DVCZGPOSCWJBQK-UHFFFAOYSA-N 412.511 4.946 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N3CCCCC3)nc2C)cc1 72219319 HMYSEZGPDUBMSD-QFIPXVFZSA-N 413.587 4.605 0 40 HJAB COc1cc2c(cc1CN1CCC[C@@H]1c1cncc(Nc3ncccc3C)n1)CCC2 72376350 YUAXSJKQNFIYJR-JOCHJYFZSA-N 415.541 4.758 0 40 HJAB O=C(Nc1ccc(N[C@@H]2CCN(c3ccccc3F)C2=O)cc1)c1ccc(Cl)cc1 79028118 ICASDKYXQSWJCN-HXUWFJFHSA-N 423.875 4.949 0 40 HJAB CC(=O)N(c1nc(COC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)cs1)c1ccc(F)cc1F 103100368 DJHCDSOCUVNIEG-KFWWJZLASA-N 420.481 4.975 0 40 HJAB CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 103718870 QCSDXWNSVZHQAM-MRXNPFEDSA-N 400.906 4.819 0 40 HJAB Cc1ccc(-c2csc3ncnc(OCC(=O)N[C@H](C)[C@@H]4C[C@H]5CC[C@H]4C5)c23)cc1 108837841 FTDWRQXZJBSTKC-NEPXVJNWSA-N 421.566 4.986 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Br 214242633 IWWHMIHLCOWXSE-CXUHLZMHSA-N 422.275 4.833 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219326359 OSFAWFVVKINFRD-KRWDZBQOSA-N 420.296 4.859 0 40 HJAB CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 222926578 OJDSFRBGLJXAND-QGZVFWFLSA-N 418.940 4.601 0 40 HJAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC 223729842 MQGIIAFDSZSEFF-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 223746705 URTXZLYEVWBDSZ-HXOBKFHXSA-N 408.542 4.890 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSc1ccccc1 224113542 HVCOFAXBLUYCOZ-QFIPXVFZSA-N 410.583 4.645 0 40 HJAB Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)c1 224114222 RZJPHSXUGSFYNP-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccccc1 224367895 DJNNOACYSBQCIV-UHFFFAOYSA-N 404.466 4.875 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 225032974 KCSXAOXNQKNZDT-DEOSSOPVSA-N 422.569 4.630 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 225162655 IPZWPATYSBTLLO-NRFANRHFSA-N 400.950 4.525 0 40 HJAB Cc1nc(-c2cccc(NC(=S)N[C@@H](CC(=O)O)c3ccc(F)cc3)c2)cs1 225218859 FHWNLBPCTCBHPE-KRWDZBQOSA-N 415.515 4.760 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 225718642 NVVWWEOQCQFFDS-QFIPXVFZSA-N 424.585 4.695 0 40 HJAB CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCCC[C@H]2CSC(C)(C)C)CC1 390829763 GKIJRXDKQQKUKC-SFHVURJKSA-N 412.640 4.936 0 40 HJAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1Cl 408700248 BUCPXKULECNXRT-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB CCc1ccc(NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)cc1 409024165 ALYWXCQCCSQTCH-UHFFFAOYSA-N 422.550 4.645 0 40 HJAB Cc1ccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)cc2)cc1 409231856 MXFZCEFQTDIDOR-BUVRLJJBSA-N 412.489 4.975 0 40 HJAB Cc1cnc(Nc2cccc([C@H]3CN(Cc4cccc5ncccc45)CCO3)n2)s1 643550584 KPMOCNMQIVDGCN-OAQYLSRUSA-N 417.538 4.712 0 40 HJAB CCCN1CCCCN(C(=O)CC(C)C)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643561837 BQECKNOCLCLVFF-GGAORHGYSA-N 414.590 4.897 0 40 HJAB CCCCC(=O)N1CCCCN(C)C(=O)c2ccccc2OC[C@@H]1Cc1ccccc1 643562080 ARNLRLWIJKISHW-QFIPXVFZSA-N 422.569 4.561 0 40 HJAB Cc1cnc(N=c2[nH]c([C@H]3CCCCN3C(=O)OC(C)(C)C)cn3cccc23)s1 2037838529 MCECUUGROZPQQB-MRXNPFEDSA-N 413.547 4.727 0 40 HJAB CN(Cc1ccccc1)C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 827642 LLKLIAGRNLDLGL-VWLOTQADSA-N 416.546 4.733 0 40 HJAB COc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)c1 924527 HEFKMBKIVULALU-UHFFFAOYSA-N 423.542 4.585 0 40 HJAB CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1ccc(N(C)C)cc1 951952 WKIPZLYDHNZUKE-UHFFFAOYSA-N 414.303 4.984 0 40 HJAB Nc1c(C(=O)c2ccc(Br)cc2)sc2nc(-c3ccccn3)ccc12 1022818 XIGKOJSVNYAZIC-UHFFFAOYSA-N 410.296 4.934 0 40 HJAB Cc1ccc(OCCCC(=O)NC(=S)NC(c2ccccc2)c2ccccc2)cc1 1783131 UJCYHEFDNLTYJQ-UHFFFAOYSA-N 418.562 4.934 0 40 HJAB CCCSc1nc2sc3c(c2c2nnc(SCC(=O)OC)n12)[C@H](C)CCC3 2216704 XYJSHPDQLOCBIA-SNVBAGLBSA-N 422.601 4.546 0 40 HJAB O=C1CS[C@H](c2ccc(Br)cc2)c2c(O)nn(C3CCCCC3)c2N1 2363438 OGBXPHQLKDGBBV-MRXNPFEDSA-N 422.348 4.631 0 40 HJAB COc1cccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)c1 2397335 NYPVZPHBGKHMGP-UHFFFAOYSA-N 416.481 4.654 0 40 HJAB CC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(OC)c(Cl)c2)c2nc3ccccc3nc12 2425486 VVQNDIFOCUVQES-GFCCVEGCSA-N 424.888 4.773 0 40 HJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccccc1C(F)(F)F 3194963 ADCQOGZXVUAZOJ-GOSISDBHSA-N 404.388 4.813 0 40 HJAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccc(F)cc1 3292979 QIGBIGUZGFYNRY-UHFFFAOYSA-N 404.466 4.559 0 40 HJAB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1cc(Cl)cc(Cl)c1 3307584 PUVBHUUNIQSTGX-UHFFFAOYSA-N 408.159 4.688 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2ccc3c(c2)OCO3)o1 3443465 XMGTYUBXIONNMT-LBPRGKRZSA-N 407.451 4.619 0 40 HJAB O=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc(Cl)s1 4036357 BPVKJBRISJBTPW-UHFFFAOYSA-N 407.929 4.874 0 40 HJAB COc1ccc2c(c1OC)C(=O)N1C[C@H](c3ccccc3)c3c([nH]c4ccccc34)[C@H]21 4084448 QJGVFTGFUHOFRH-KOSHJBKYSA-N 410.473 4.876 0 40 HJAB biogenic C[C@@H]1CN(C(=O)/C=C/c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)C[C@@H](C)O1 4105228 HBJZHAOINFQRQE-ZJJGVRJWSA-N 419.443 4.933 0 40 HJAB COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 4240775 ZLFSCWLXYXXUOP-QHCPKHFHSA-N 418.493 4.735 0 40 HJAB CN1C(=O)[C@]2(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c2ccccc21 4426608 YBNVITVFXHUKTR-XUZZJYLKSA-N 415.880 4.713 0 40 HJAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1c(OC)cccc1OC 4487754 MQZYQHQKYZLNAC-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cccc(C)c1C 4681935 IMFVTZZKKWQIPJ-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccc(OC)cc1 4784029 RGSGPIWRCRPBIR-UHFFFAOYSA-N 417.918 4.514 0 40 HJAB CC(=O)c1ccc(N[C@@]2(/C=C/c3ccccc3)CC(=O)N(C3CCCCC3)C2=O)cc1 6022714 JPMDUQJSPKGPCF-ZOGILVBSSA-N 416.521 4.845 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C(=O)NC1CCCCC1 6213958 ONQVJFWMPVOMDC-UHFFFAOYSA-N 414.571 4.982 0 40 HJAB CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 6553228 VZCDBCLADQJTPY-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 6560920 WIDYXGZGXMKXKK-UHFFFAOYSA-N 422.550 4.565 0 40 HJAB CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 6596061 GMTAVZRWGGDTOB-JOCHJYFZSA-N 415.445 4.839 0 40 HJAB CN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C1CCCCC1 7238947 IFULPOSXEKKTKU-UHFFFAOYSA-N 424.545 4.957 0 40 HJAB Cc1ccccc1NC(=O)COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2)c1 8571360 OKOWKANETLKQJO-XSFVSMFZSA-N 411.461 4.558 0 40 HJAB Brc1ccc(-c2nc3nc4ccccc4nc3n2C[C@@H]2CCCO2)cc1 8617129 OYKUZQCVUUMMKU-HNNXBMFYSA-N 409.287 4.588 0 40 HJAB Cc1ccnc(N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)c1 9435571 JRPJFBRAPORJHH-QFIPXVFZSA-N 424.426 4.550 0 40 HJAB Cc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)s1 9996032 DNMXQUVCNTXXKD-UHFFFAOYSA-N 408.527 4.643 0 40 HJAB CN(c1ccc(C(=O)Nc2cccc3ccccc23)cc1)S(=O)(=O)c1cccs1 10009592 UUTJWYGZKYAWKR-UHFFFAOYSA-N 422.531 4.979 0 40 HJAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccc(C)cc1 11811935 XBUBXKDBVKIERO-HXUWFJFHSA-N 418.522 4.806 0 40 HJAB O=C1C[C@H]([C@@H]2CCCN(C(=O)c3ccc(-c4ccccc4)[nH]3)C2)Oc2ccccc21 12237000 HSSJFMDOEFWHTF-HOYKHHGWSA-N 400.478 4.568 0 40 HJAB O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 12408199 ZGFPMJITQAXRLK-TZIWHRDSSA-N 409.530 4.666 0 40 HJAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O 12637146 KWJBCDUPLBTVMR-FQEVSTJZSA-N 411.505 4.808 0 40 HJAB COc1ccc(C(=O)C2CCN(C(=O)CCCc3nc4ccccc4s3)CC2)cc1 12740859 JQDCTJCCLOUZQA-UHFFFAOYSA-N 422.550 4.749 0 40 HJAB CCOc1ccc2nc(SCC(=O)c3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 12906725 XFFWHVHGDSZDCB-UHFFFAOYSA-N 414.874 4.640 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 13140979 HMWYDDIFCQTJFR-UHFFFAOYSA-N 414.840 4.749 0 40 HJAB CCc1nn2c3c(nnc2c1-c1ccc(Cl)cc1)C(=O)C[C@H](c1ccccc1O)C3 13639481 DUIFHUDCRWXCMR-CQSZACIVSA-N 418.884 4.625 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3c4ccccc4C[C@H]3C)c2C)cc1 13668632 KXTWDMSDWGJDRB-QGZVFWFLSA-N 420.534 4.696 0 40 HJAB Cc1ccc(C(=O)COc2ccc(Cl)cc2N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 18243925 BZFIDLSMIYHAND-QZTJIDSGSA-N 411.885 4.590 0 40 HJAB COc1ccc(C)cc1NC(=O)c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1 19133811 PVEYKTJNNSIKFO-UHFFFAOYSA-N 423.488 4.763 0 40 HJAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCCN1Cc1ccc(F)cc1 19239792 HLFDRQZIEQRYPN-QFIPXVFZSA-N 405.521 4.779 0 40 HJAB COc1cc(C)c(CN2CCC[C@@H]2c2cc(-c3cnc(N)nc3)cc(C)n2)c(C)c1C 19690825 FVNQOMLJTVSNOO-HSZRJFAPSA-N 417.557 4.700 0 40 HJAB CC(C)c1ccc(OCc2cc([C@@H]3CCN(Cc4cccnc4N(C)C)C3)n[nH]2)cc1 19704269 WDBHFFVNRRPQNS-HXUWFJFHSA-N 419.573 4.563 0 40 HJAB Cc1ccc2[nH]c(Cc3ccc(NC(=O)CCc4nc5ccccc5[nH]4)cc3)nc2c1 19717878 VRHPRHZYIOPTDO-UHFFFAOYSA-N 409.493 4.910 0 40 HJAB CC(C)NC(=O)c1cc([C@@H]2CCN(Cc3ccc4ncccc4c3)C2)nc2ccccc12 19761422 HZNJVMBPABKCEV-OAQYLSRUSA-N 424.548 4.911 0 40 HJAB S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(OCc2ccccc2Cl)cc1 22110572 WUMKHUFKNMRVNL-UHFFFAOYSA-N 423.929 4.979 0 40 HJAB Oc1c([C@H](c2ccccc2Cl)N2CCCCC2)sc2nc(-c3ccco3)nn12 22851833 IETRHWAFRQTCNZ-INIZCTEOSA-N 414.918 4.985 0 40 HJAB CCOc1ccc(-c2nsc(NC(=O)COc3ccc(Cl)c(C)c3)n2)cc1 28287411 GBRYTJXTGDCWPV-UHFFFAOYSA-N 403.891 4.583 0 40 HJAB COc1ccccc1O[C@@H](C)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 28290828 UVIFGHGDHHBRKW-HNNXBMFYSA-N 414.864 4.883 0 40 HJAB CSc1cccc(NC(=O)c2ccc(Cl)cc2I)c1 31663670 AOJSWPOBZDWYLA-UHFFFAOYSA-N 403.672 4.919 0 40 HJAB COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccc(Cl)c(Cl)c3)nn1C)C2 32088186 OLWQHQSOYUWCKH-UHFFFAOYSA-N 418.280 4.568 0 40 HJAB CC(C)c1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3F)cc2Cl)cc1 32611660 JCYLUEVZJYUFHW-UHFFFAOYSA-N 407.898 4.648 0 40 HJAB C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)C12CC3CC(CC(C3)C1)C2 32939943 PELUMKMALNKBTR-URNNUDQISA-N 412.511 4.731 0 40 HJAB Cc1c(-c2nn(-c3ccc(Cl)cc3)c(-c3cnn(C)c3C)c2Cl)cnn1C 36611629 KICYFWALDPSOLN-UHFFFAOYSA-N 401.301 4.597 0 40 HJAB CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)cc1 44936089 YEPDFOQGCJUBHX-DENIHFKCSA-N 400.950 4.828 0 40 HJAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1C 48365498 UMTSQFIPSGBPAZ-QGZVFWFLSA-N 407.297 4.554 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N(C)CCOc1ccccc1 57273741 MIJFKINRTPRSPY-XMMPIXPASA-N 404.510 4.694 0 40 HJAB CCOc1ccccc1CNC(=O)c1sc(Nc2ccc(Cl)cn2)nc1C 71326352 WMFCQNYVJLKNTF-UHFFFAOYSA-N 402.907 4.572 0 40 HJAB Brc1ccc(C2(c3nc(COc4ccccc4)no3)CCOCC2)cc1 71890016 YUHCFYCUCMWQGV-UHFFFAOYSA-N 415.287 4.508 0 40 HJAB O=C(NCc1ccccc1CN1CCCCCC1)Nc1nc(-c2cccnc2)cs1 72281500 GUNRBMXLKIPJDZ-UHFFFAOYSA-N 421.570 4.903 0 40 HJAB Cn1ccnc1CN1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 72350024 IWNIMRKAXGXOHY-UHFFFAOYSA-N 414.475 4.804 0 40 HJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2C(=O)Cc2ccccc2)n1 72376893 NVQHCGAVKAFLKO-HXUWFJFHSA-N 406.917 4.676 0 40 HJAB CC(=O)O[C@H]1C[C@H](OC(C)=O)CC2=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@]21C 118928055 YXLMKYPZOPOZEL-SDQMMQOBSA-N 416.558 4.628 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O 136532788 ZTJNRSNOICUHNI-KDURUIRLSA-N 404.510 4.743 0 40 HJAB O=C(NCCCN1CCCc2ccccc21)c1ccccc1OCc1ccccc1 218988948 HKDYPUIIDFMEMX-UHFFFAOYSA-N 400.522 4.838 0 40 HJAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCSc1ccc(Cl)cc1 222439239 XJXPBXXZYQKHIN-KRWDZBQOSA-N 418.990 4.684 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C(C)C 223456917 QAWFDJCIHSGAQX-FCHUYYIVSA-N 405.571 4.649 0 40 HJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223833046 ZZQULAIFTVGWGB-SFHVURJKSA-N 412.961 4.749 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1c1ccc2c(c1)OCO2 224000219 ASEOQTBDKZPSNB-QZTJIDSGSA-N 415.927 4.702 0 40 HJAB CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224654125 AHPKOOHXNUFWQK-UHFFFAOYSA-N 418.740 4.635 0 40 HJAB O=C(COc1cccc(F)c1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257235673 GYWFTDPVOPSWEL-HXUWFJFHSA-N 414.864 4.800 0 40 HJAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(CCC(=O)NC4CCOCC4)ccc3O2)cc1 257267609 MIAWJQRWSPVZLI-MHZLTWQESA-N 421.581 4.974 0 40 HJAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 257280824 OMOLHAXLFCXFEX-LJQANCHMSA-N 422.500 4.968 0 40 HJAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@H](C)Cn3nc(C)c(C)c3C)[C@@H]3CCCC[C@H]32)cc1 257367414 NOOYERDNFHPXFP-NFYIIFLKSA-N 409.574 4.542 0 40 HJAB CCOC(=O)c1c(NC(=O)CSCc2cc(C)cc(C)c2)sc2c1CCC2 408563047 IBEZQRMASHXAKK-UHFFFAOYSA-N 403.569 4.902 0 40 HJAB CCOc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)ccc1O 408634980 WBOTZRLDNONXDZ-YBEGLDIGSA-N 418.858 4.712 0 40 HJAB Cc1c(Br)ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c1C 409193909 HPOJLAYJHMVTSH-UHFFFAOYSA-N 420.347 4.764 0 40 HJAB Cc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1Cl 409343180 GIXWLWCULCAHTG-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 409409261 GODSOAHJGCJDFM-XNTDXEJSSA-N 406.507 4.756 0 40 HJAB O=C(CCN1CCCCC1)Nc1cccc(NC(=O)Nc2ccccc2Cl)c1 516202107 MKCSGOJHRQPYRB-UHFFFAOYSA-N 400.910 4.799 0 40 HJAB Cc1cc(C(=O)NCCn2ccc3ccc(Cl)cc32)c2cnn(C3CCCC3)c2n1 606672444 JABLBRBAHDZEEO-UHFFFAOYSA-N 421.932 4.893 0 40 HJAB C[C@@H]1CN(Cc2ccccc2)C[C@]1(CC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 953087144 JSZVHFKTUXLNHT-IBVKSMDESA-N 423.553 4.600 0 40 HJAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)[C@@H]1COc2ccccc2O1 818349 XREAUAFULBESAT-KRWDZBQOSA-N 420.412 4.531 0 40 HJAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1Cl 903469 AAJYZEKQRQVIGX-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB CCc1ccc2[nH]c(=O)c(CN(C(=S)NCc3ccco3)C3CCCC3)cc2c1 924187 CAEHICZONBPIEM-UHFFFAOYSA-N 409.555 4.503 0 40 HJAB C[C@@H]1CCCCN1C(=O)CSc1nc(C2CC2)nc2sc3c(c12)CCCC3 1332760 SWXDTUIOJMRELR-CYBMUJFWSA-N 401.601 4.941 0 40 HJAB Cc1sc2nc(CN(C(=O)CCc3ccccc3)C3CCCCC3)[nH]c(=O)c2c1C 1358943 COKHJJJFDNSLOG-UHFFFAOYSA-N 423.582 4.896 0 40 HJAB Cc1cccc(Oc2coc3cc(OC[C@H](O)CN4CCCCCC4)ccc3c2=O)c1 1810985 SGXRSEQDDLYXPD-LJQANCHMSA-N 423.509 4.509 0 40 HJAB CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)COc1ccc(Cl)cc1 3216032 WEDUYTHQLCCNKU-UHFFFAOYSA-N 418.902 4.761 0 40 HJAB CCN(C(=O)COC(=O)c1ccccc1Br)c1cccc2ccccc12 3288159 BHOXKQHQGMVIGK-UHFFFAOYSA-N 412.283 4.812 0 40 HJAB CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cccc(F)c3)N2C1=O 3636857 SNXGXRXDFQWDCF-UYAOXDASSA-N 424.497 4.608 0 40 HJAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)C(c1ccccc1)c1ccccc1 4746901 SEPBGNYRSZNAIU-UHFFFAOYSA-N 406.913 4.947 0 40 HJAB CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@@H]1c1ccc(OC)cc1 4816997 BLEBZGPLOOWERG-RTWAWAEBSA-N 420.513 4.553 0 40 HJAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)o2)cc1 5170182 YCMXYOYKZMNVPG-UONOGXRCSA-N 415.490 4.632 0 40 HJAB Cc1ccc(C(=O)[C@H]2C(/C=C/c3ccccc3)=NO[C@]23C(=O)Nc2ccccc23)cc1 5451718 VJVMMTXDAXEZJD-XBBJSIGRSA-N 408.457 4.741 0 40 HJAB CCCOc1ccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 6398404 HTYKQRCVYZFJLN-UHFFFAOYSA-N 400.434 4.528 0 40 HJAB O=C(O)c1cc(Cl)ccc1-c1ccc(/C=C/c2cc(C(F)(F)F)[nH]c(=O)n2)o1 6445266 RUGITWNGTOERMG-NSCUHMNNSA-N 410.735 4.571 0 40 HJAB COc1cc([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1ccc(C)cc1 6678798 UIZBYQWMMGBTHK-QVKFZJNVSA-N 423.538 4.777 0 40 HJAB Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3ccc(Cl)cc3Cl)c(=O)c12 7424049 GKSDARILDPVPJB-UHFFFAOYSA-N 413.264 4.581 0 40 HJAB CCOc1ccc(NC(=O)c2cc3c(N4CCCC4)nc(SC)nc3s2)cc1 7604269 YXRARHQEBKVGJR-UHFFFAOYSA-N 414.556 4.664 0 40 HJAB Cc1cc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c(C)cc1Br 7882193 YMSFUOUPPRUHSG-NVXWUHKLSA-N 415.331 4.614 0 40 HJAB CC(C)Cn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1ccco1 8987990 YSYSAWAYRKVSEY-GJZGRUSLSA-N 416.522 4.691 0 40 HJAB C[C@H](NC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 9125256 PVTCMVZUJOYCAR-INIZCTEOSA-N 421.880 4.605 0 40 HJAB COc1ccc(-c2nonc2NC(=O)c2sc3ccccc3c2Cl)cc1OC 9130402 PGLBNRFNHILENV-UHFFFAOYSA-N 415.858 4.874 0 40 HJAB O=C(Nc1ccc(N2CCOCC2)cc1)C1(c2cccc(C(F)(F)F)c2)CCCC1 9157325 BBCPBYCQHWXATP-UHFFFAOYSA-N 418.459 4.993 0 40 HJAB CC[C@H](CO)Nc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 9308892 DGIJCEMBDIXXRZ-GFCCVEGCSA-N 424.526 4.534 0 40 HJAB CSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1 10371663 UMBFKZJIYTVNBL-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB CC(=O)c1cccc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)c1 10728682 MOQIYBCBKTYPJP-UHFFFAOYSA-N 424.280 4.537 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(Cn4cncn4)cc3)n2)cc1C 10817722 XIEVCMBMMQTUMB-UHFFFAOYSA-N 403.511 4.627 0 40 HJAB CCN1C(=O)c2cccc3c(S(=O)(=O)Oc4cccc5ccccc45)ccc1c23 11691597 ISHUCUCPACPFJS-UHFFFAOYSA-N 403.459 4.741 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCC(C)CC2)cc1 11905356 DFNXMISIOYONMR-HSZRJFAPSA-N 419.525 4.553 0 40 HJAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)CCc2ccc(Cl)cc2)C1 12238432 MBMNKACGVOVKMR-FQEVSTJZSA-N 420.944 4.955 0 40 HJAB CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCc4ccccc4C3)c(O)n2n1 12341916 RGMVHDMPFVLVOA-IBGZPJMESA-N 424.957 4.860 0 40 HJAB Cc1nc(SCc2cc(=O)n3c4c(sc3n2)CCCC4)n(C2CCCC2)c1C 12507182 LDUAEEUNDIBYMI-UHFFFAOYSA-N 414.600 4.856 0 40 HJAB CCC(=O)N(c1nnc(SCCOc2c(Cl)cccc2Cl)s1)C1CC1 12599550 GHYNPNFEXHPGBN-UHFFFAOYSA-N 418.371 4.921 0 40 HJAB COc1cccc(-c2nc(C)c(C(=O)NCCc3c[nH]c4ccc(OC)cc34)s2)c1 13722212 VSIVZDUMLZKOPD-UHFFFAOYSA-N 421.522 4.590 0 40 HJAB Cc1cccc(OCCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 15497169 AFEZPXLNCGNGSM-LJQANCHMSA-N 402.494 4.894 0 40 HJAB COc1cccc2cc(-c3csc(NC(=O)c4cc5ccccc5oc4=O)n3)oc12 16960797 NQYGTPUNANVWHP-UHFFFAOYSA-N 418.430 4.924 0 40 HJAB COc1cc(NC(=O)c2cccnc2Cl)ccc1NC(=O)c1ccccc1Cl 17090492 NHKJADJKOPHPSH-UHFFFAOYSA-N 416.264 4.902 0 40 HJAB CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(Cc2ccccn2)CC1 19700299 LCYIOJGBCWBSKK-UHFFFAOYSA-N 413.565 4.662 0 40 HJAB Cc1nc(-c2cccs2)c(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 19819659 PFLGPUDCQRQRRY-UHFFFAOYSA-N 415.559 4.601 0 40 HJAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Br)cc2)cc1Cl 20030003 OKKRUUIRTUJKBX-NSHDSACASA-N 418.740 4.541 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 24986169 LJPQRNDINNBGBH-LSDHHAIUSA-N 412.481 4.544 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)c1sc(Nc2ccccn2)nc1-c1ccccc1 32899517 MROOJBJXNRGXHY-UHFFFAOYSA-N 416.462 4.930 0 40 HJAB Cc1cc(C)nc(SCc2ccccc2C(=O)NCCCOC2CCCCC2)n1 32904309 WMTONRBGZHFVSS-UHFFFAOYSA-N 413.587 4.855 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 34701737 JXSIXESCLOWLKG-JOCHJYFZSA-N 414.549 4.696 0 40 HJAB CC(C)(C)c1ccc(NC(=O)COc2ccc(I)cc2)cc1 40159234 YJRRLMVAJCJDNR-UHFFFAOYSA-N 409.267 4.606 0 40 HJAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Br)c2ccccc12 41096632 QSKIUMNLOIFMGO-ZDUSSCGKSA-N 402.313 4.742 0 40 HJAB COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1Cl 44899832 WXUCBOHPCFCFRH-OAQYLSRUSA-N 401.915 4.725 0 40 HJAB CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1C 44911592 LFXZYFWVRHFRII-GOSISDBHSA-N 414.933 4.676 0 40 HJAB CCOc1cc(C(=O)NCc2cccc(Br)c2)cc(OCC)c1OCC 72331504 YJPGVQSDLPZFCG-UHFFFAOYSA-N 422.319 4.575 0 40 HJAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 72350230 MFHWNBCTMDZQQK-LJQANCHMSA-N 423.944 4.879 0 40 HJAB COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)c(OC)c1 85412382 WSPHPFFTYDMEGB-LJQANCHMSA-N 401.532 4.975 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](OC(C)=O)[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 90760135 VYZPGMGWYUEREY-ARDCGLKKSA-N 418.574 4.708 0 40 HJAB O=C(O)C/C(=C/c1cc(Br)c2c(c1)OCO2)c1nc2ccccc2s1 96767472 WLJRKJGJMDFPJZ-WZUFQYTHSA-N 418.268 4.803 0 40 HJAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(OCc3c(Cl)cccc3Cl)cc1)[C@H]1C=C[C@H]2C1 100391213 JMQDJVKWVJQKTP-QCQDVHPSSA-N 414.288 4.884 0 40 HJAB C[C@]12CC3CC(C(=O)N4CCN(Cc5cccc(Cl)c5)CC4)(C1)C[C@](C)(C3)C2 102629592 KDLXEHZHJJWOSJ-SJGBLRAISA-N 400.994 4.981 0 40 HJAB Cc1ccccc1N1O[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]1c1cccs1 102861378 VXIZPLTWUXWILF-AABGKKOBSA-N 424.909 4.761 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 222595084 GTIBLCRZGVRFEU-QFIPXVFZSA-N 414.977 4.831 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCSC1CCCCC1 223091329 FPQVJNBTXSIEPG-PGMHBOJBSA-N 412.555 4.541 0 40 HJAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 223348459 VXUMAOMKIFMXLK-RUZDIDTESA-N 414.549 4.771 0 40 HJAB Cn1c(=O)sc2cc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)ccc21 225065941 CIDMYCJJTSUQNY-UHFFFAOYSA-N 413.351 4.779 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 225072401 BICMOXUYMTYNDL-HXUWFJFHSA-N 418.990 4.766 0 40 HJAB S=C(Nc1ccc(Nc2ccccc2)cc1)N1CCN(C2CCSCC2)CC1 225216387 SWCMECZPQPTICL-UHFFFAOYSA-N 412.628 4.640 0 40 HJAB CCOC(=O)c1cccc(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)c1 225500109 ZWYFBPKIGWAJQR-HXUWFJFHSA-N 400.544 4.946 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 225613564 XZDYORCLYYRJJL-PGRDOPGGSA-N 414.977 4.913 0 40 HJAB Cc1ccccc1-c1nc2sc(=Cc3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2n1 254631727 PVEFKPWRLXOWLP-UHFFFAOYSA-N 419.893 4.588 0 40 HJAB CCCCc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)[nH]n1 257201491 AHXDPVSIODZWIC-FQEVSTJZSA-N 412.921 4.962 0 40 HJAB CCOc1ccc(C(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(C[C@@H](O)CC)n1 257328717 XGVHHFGCMBUDPO-KRWDZBQOSA-N 414.889 4.738 0 40 HJAB COCCNC(=S)c1ccc(OCc2ccccc2Cl)c(Br)c1 408578566 YVFGTIHUHZQSAD-UHFFFAOYSA-N 414.752 4.593 0 40 HJAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cn(C(C)C)c3ccccc23)C1=O 409211698 OCVQJEBJWNQFFF-XKYMITNMSA-N 400.500 4.600 0 40 HJAB Cc1nn(-c2ccc(Cl)cc2)c2nc3c(c(N)c12)C(=O)C[C@H](c1ccccc1)C3 618257528 ZBVBZSCMDGXOOA-OAHLLOKOSA-N 402.885 4.877 0 40 HJAB CC(=O)N1CCCCCCCN(C(=O)c2noc3c2CCCCC3)Cc2ccccc21 643553354 NSKIBBSXTPUHOC-UHFFFAOYSA-N 423.557 4.903 0 40 HJAB CCN1CCCCCCN(C(C)=O)[C@@H](Cc2ccccc2)COc2ccccc2C1=O 643583588 XERRXQSOJVOAEL-QHCPKHFHSA-N 422.569 4.561 0 40 HJAB C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C[C@H](c1ccccc1)c1ncc[nH]1 1641158085 LQTVMGCCWDGGKA-WMLDXEAASA-N 407.905 4.681 0 40 HJAB O=C(Nc1cccc2c1CCNC2=O)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 1678415503 LHWGHZVRJUCZMR-FXAWDEMLSA-N 411.933 4.864 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2OC)n1CC 793553 SRBDARLWOGPWBF-UHFFFAOYSA-N 410.543 4.575 0 40 HJAB COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2ccccc2)c1C 838431 NNUSXYJECCRBOB-UHFFFAOYSA-N 408.479 4.656 0 40 HJAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1cccc(Cl)c1 1237951 ULJBCQKBLSJDAX-UHFFFAOYSA-N 421.836 4.837 0 40 HJAB biogenic CCN(CC)CCCNc1nc(SC)nc2sc3c(c12)C[C@@](C)(CC)OC3 2401502 KFZPLCLSYZSJQO-HXUWFJFHSA-N 408.637 4.798 0 40 HJAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NCCC2=CCCCC2)cc1C 3331164 WDDMGOZPNIWYOA-UHFFFAOYSA-N 419.521 4.698 0 40 HJAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 3373181 NQUBEAMJNATSIE-UHFFFAOYSA-N 405.203 4.771 0 40 HJAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CN1CCCCCC1 4747800 RQQMXJOEPGZHGF-UHFFFAOYSA-N 400.544 4.633 0 40 HJAB Cc1cccc(OCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1C 4910791 WZKNBUBOAMSIHF-IBGZPJMESA-N 405.542 4.847 0 40 HJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@H]1c1ccc(O)c(OC)c1 6026518 YMNRJSCIXXDPOX-FQEVSTJZSA-N 412.511 4.518 0 40 HJAB O=C(COc1ccccc1C(=O)Nc1ccccc1)c1cccc(Br)c1 6461172 CVCRNHJBPCUTIL-UHFFFAOYSA-N 410.267 4.963 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2Cl)c1 7717472 YJCQYBUTPCGMLQ-GOSISDBHSA-N 409.313 4.786 0 40 HJAB CC(C)C(=O)Nc1ccc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 8130674 PNDYQXHJGZBYBE-UHFFFAOYSA-N 420.538 4.714 0 40 HJAB COc1cc(CNCc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1 8470368 XCBGETVPRAOUNE-UHFFFAOYSA-N 411.885 4.916 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(I)cc2C)c(C)c1 8477557 OPSSGBPJOOEQQZ-CQSZACIVSA-N 409.267 4.622 0 40 HJAB Cc1cc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)ccc1Br 9063583 YXEGOTGGJRNUDN-UHFFFAOYSA-N 405.311 4.747 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1cn3cc(C)ccc3n1)CC2 9155445 RORHNXAMTRFPKF-AREMUKBSSA-N 413.521 4.808 0 40 HJAB Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3c(C)noc3n2)cc1 10641739 BLDWMWZOANMYJF-UHFFFAOYSA-N 401.422 4.530 0 40 HJAB O=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1ccc(Cl)c(Cl)c1 11693288 MJNWHMDKGWOGPS-UHFFFAOYSA-N 402.281 4.636 0 40 HJAB O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCC[C@@H]1c1cccs1 12557137 LYTBJAQRNRNOHK-LJQANCHMSA-N 412.536 4.526 0 40 HJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC)O[C@@H](C)C2 12565261 TZFYSLALCRFMIG-UONOGXRCSA-N 418.921 4.818 0 40 HJAB O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(-c2ccc(Cl)cc2)s1 12755940 GEECHAMLOWBYQI-UHFFFAOYSA-N 419.959 4.610 0 40 HJAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 14397738 FDNWBVMJWIGETQ-LBPRGKRZSA-N 402.318 4.949 0 40 HJAB COc1ccc(NC(=O)c2sc3c(c2C)[C@@H](c2cccc(OC)c2)CC(=O)N3)cc1 15107035 HVONEKFKCGBZIL-GOSISDBHSA-N 422.506 4.800 0 40 HJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 15421966 NUOLSJAVEKXQGY-UHFFFAOYSA-N 422.506 4.516 0 40 HJAB CCOc1cc(/C=C2\SC(Nc3ccc(OC)cc3)=NC2=O)cc(Cl)c1OC 16440336 AGAOYDASHJUHRF-BOPFTXTBSA-N 418.902 4.838 0 40 HJAB Cc1ccc(-c2cnoc2NC(=O)CSc2nc(O)cc(-c3ccccc3)n2)cc1 17051785 RFMUONZZHXPCOO-UHFFFAOYSA-N 418.478 4.543 0 40 HJAB CC(C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 17083259 RKPGEYOMUMPMKY-UHFFFAOYSA-N 405.589 4.696 0 40 HJAB Cc1cc(CN2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc(C)c1O 19570011 IPZRTGFMJUZJGP-ZTFGCOKTSA-N 408.468 4.850 0 40 HJAB Cc1ccc([C@H](NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2)cc1 20492122 GAUZOPBRRZKZSN-HXUWFJFHSA-N 416.340 4.825 0 40 HJAB C[C@@H](Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(=O)Nc1ccc2c(c1)CCC2 21701191 UERBFXXEHLBIEX-GFCCVEGCSA-N 417.383 4.707 0 40 HJAB O=C(Nc1cccc(Br)c1)c1csc(COc2ccc(F)cc2)n1 24770032 KLGMIGULQFMHPI-UHFFFAOYSA-N 407.264 4.876 0 40 HJAB COc1ccc([C@H](CNC(=O)c2nc(-c3ccccc3)oc2C)N2CCCCC2)cc1 27667538 FSTQAUVJBHWNPE-QFIPXVFZSA-N 419.525 4.616 0 40 HJAB O=C(C1CCN(Cc2ccc(Br)cc2)CC1)N1CCCc2ccccc21 30946799 NUSLMQABGNVMML-UHFFFAOYSA-N 413.359 4.641 0 40 HJAB CN(Cc1ccccc1OC(F)(F)F)C(=O)c1c[nH]c(=S)n1-c1ccccc1 31076043 IPWVQUHKXJROIP-UHFFFAOYSA-N 407.417 4.706 0 40 HJAB C[C@@H]1Oc2ccc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)cc2NC1=O 32772807 VDQFGILVSTUUDQ-YCRPNKLZSA-N 404.491 4.878 0 40 HJAB CC(=O)Nc1ccc(CNC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 32802886 OIVQZCXXWIAMJS-UHFFFAOYSA-N 420.494 4.514 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 33088671 TUTDJNSUFIWCRS-UHFFFAOYSA-N 412.898 4.706 0 40 HJAB COc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)no1 33327365 GNJOQGXOWDLQGK-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB CN(C)C(=O)Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 38709727 OWNLTYTXAQZZMG-UHFFFAOYSA-N 418.337 4.607 0 40 HJAB CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccc(OCC)cc1 41078081 VWMDBILVCPKVPN-UHFFFAOYSA-N 407.514 4.988 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 58172498 MURPONYPFWOCBP-UHFFFAOYSA-N 403.313 4.674 0 40 HJAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cnc(-c2cccc(O)c2)nc1 58310704 FWHQGQYDLUVHPE-LLVKDONJSA-N 404.253 4.562 0 40 HJAB O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccc2c(c1)OCCCO2 65475529 QXHMBXKIWDWPKF-UHFFFAOYSA-N 409.486 4.508 0 40 HJAB C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O 70688102 YRLBRLSLZIRTGX-MLQUENCRSA-N 413.646 4.627 0 40 HJAB biogenic COc1ccc(-c2csc3ncnc(N4CCC(CN5CCCC5)CC4)c23)cc1 71811095 SBIUOSCDRDJDTR-UHFFFAOYSA-N 408.571 4.679 0 40 HJAB CCCn1c(CN2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)nc2ccccc21 72347906 AKCBPEVYIADGGB-UHFFFAOYSA-N 424.932 4.845 0 40 HJAB COc1ccccc1-c1nccnc1[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 72359164 MQRLXPBFNCZVFI-NRFANRHFSA-N 415.537 4.881 0 40 HJAB Cc1ccc(NNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1Cl 84183077 CHICGTRDLALNNC-AWEZNQCLSA-N 400.935 4.618 0 40 HJAB O=C(Nc1cccnc1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 84564666 JUGWZESUVOUOCC-UHFFFAOYSA-N 415.522 4.608 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3c(C)cc(C)cc3C)c2)c1 98072686 VBZCVFSAGQSFGT-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1ccc(C(=O)COC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)s1 103859593 AAEBNPNWVXKJSM-CXTCDGGRSA-N 411.361 4.906 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118914801 VCWDOHJFKGOMRJ-AFVIMSHCSA-N 402.575 4.983 0 40 HJAB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1[C@@H]1CC=CCC1 216580791 FCLOAWQVNAAUKG-UIFIKXQLSA-N 409.530 4.506 0 40 HJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1cccc2ccccc12 219051302 PAIXRQQEQGBBMG-OAHLLOKOSA-N 407.495 4.767 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 222604461 SLVLPHIYVUAJOX-NRFANRHFSA-N 400.950 4.523 0 40 HJAB Oc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223109402 ASQHHRUYEQHNKA-DHIUTWEWSA-N 418.566 4.883 0 40 HJAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223594531 CWWURZQSAASGND-XMSQKQJNSA-N 414.977 4.995 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 223807710 CEYBIVZRIGWMMH-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB CCCC[C@H](CC)CNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 223824208 WMHKDRSPZNPIBV-IBGZPJMESA-N 416.587 4.599 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCSc1ccc(C)cc1 223845745 SXBRCPXAGDJGKJ-SFHVURJKSA-N 416.562 4.560 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F 224283045 JFUHSBUTMZPPAG-QHCPKHFHSA-N 410.533 4.543 0 40 HJAB Cc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224993688 QSQSJENBXCKDJQ-JOCHJYFZSA-N 420.597 4.836 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 225120720 WPYWLBIYBIPOKT-RTWAWAEBSA-N 424.585 4.829 0 40 HJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](CC)c2ccc(OC)c(OC)c2)c1C 225720197 SDHWOZZRDDMYST-KRWDZBQOSA-N 416.543 4.627 0 40 HJAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)NC1CCCCCCC1 225821063 AIQHSAQUEYMYGT-UHFFFAOYSA-N 406.324 4.661 0 40 HJAB CCCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OC)c2)CCC[C@H](C)C1 225853677 MMVOCTBWAGBLHR-GAJHUEQPSA-N 405.535 4.822 0 40 HJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1[C@@H]2CN(C)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257330112 XMWYNYJCJUPJBD-QPXQOZNCSA-N 413.562 4.735 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 408694885 JCPFDROMMGFSOP-GOSISDBHSA-N 424.522 4.510 0 40 HJAB O=C(O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C1=O 409123210 AKGRXVSEVNQEMF-UDWIEESQSA-N 419.458 4.540 0 40 HJAB Cn1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21 409343966 JKPBBWFZFUJYTA-VXLYETTFSA-N 410.882 4.751 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)Nc1cccc2ccccc12 409360173 YULHDQHZKYBHIU-XDHOZWIPSA-N 406.438 4.654 0 40 HJAB CC(C)(C)[C@H]1COC(c2cccc(-c3cccc(C4=N[C@@H](C(C)(C)C)CO4)n3)n2)=N1 1857523998 RJNVDYSKNROPCL-WOJBJXKFSA-N 406.530 4.527 0 40 HJAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3cccs3)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242517 FQUCFXZYPBUQAN-OXHIVJRSSA-N 411.546 4.923 0 40 HJAB CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCCC2 650174 CKICOCADGIXUEP-CSKARUKUSA-N 413.495 4.573 0 40 HJAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 682530 NNTNPNIPPQTJOK-KRWDZBQOSA-N 401.462 4.837 0 40 HJAB CC(C)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCc2ccccc2)cc1 822315 JGMXTJHZJHIKES-JJIBRWJFSA-N 414.505 4.561 0 40 HJAB biogenic CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCCCC1)c1ccccc1CC2 869972 QTJNGVPQSUTHAQ-UHFFFAOYSA-N 407.514 4.504 0 40 HJAB COc1ccc2c(c1)c(C(=O)COc1cc(C)cc3oc(=O)c(C)c(C)c13)c(C)n2C 2148544 IJSIZKDXBZJHDI-UHFFFAOYSA-N 419.477 4.789 0 40 HJAB biogenic O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccccc1OC(F)F 3289388 GIYHKNGUVAVWJQ-UHFFFAOYSA-N 407.467 4.512 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 3336593 XRHPSIFPBYJDDS-MRXNPFEDSA-N 420.582 4.850 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(F)cc4)c3C)no2)c1 4880824 YABBLUMHGYNYGM-UHFFFAOYSA-N 420.444 4.603 0 40 HJAB COc1ccc(-c2nnc3sc(Cc4cccc5ccccc45)nn23)cc1OC 4938725 QZRZINLXFPNEDS-UHFFFAOYSA-N 402.479 4.614 0 40 HJAB Cc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1C 5137589 LOPSWXALHOCXOU-UHFFFAOYSA-N 406.960 4.601 0 40 HJAB CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 5161234 UVOTXHBDYFWIBF-YLCICSEWSA-N 416.558 4.629 0 40 HJAB biogenic CN(C)CCCN(C(=O)CSc1ccccc1)c1nc2ccc(F)cc2s1 5239600 KNOAGMMJYVUYMS-UHFFFAOYSA-N 403.548 4.512 0 40 HJAB Cc1ccc(/C=C2\SC(=O)N(CNc3ccccc3Br)C2=O)cc1 5337302 XERAEZQPLHJZJB-YBEGLDIGSA-N 403.301 4.863 0 40 HJAB COc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)ccc1N1CCCC1=O 5440320 HGIGALVSOPLTNR-UHFFFAOYSA-N 400.478 4.670 0 40 HJAB CCOC(=O)c1c(NC(=O)Cn2c(C)c(C=O)c3ccccc32)sc2c1CCCC2 5948006 QBEITJBIPCAEKM-UHFFFAOYSA-N 424.522 4.518 0 40 HJAB O=C1O[C@H](c2ccccc2)N(C(=O)c2cccc(Br)c2)c2ccccc21 6241818 SPZGRVXZPINJSY-HXUWFJFHSA-N 408.251 4.965 0 40 HJAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc2ccccc2c1 6897069 YCCFQFMUHYMLLB-UHFFFAOYSA-N 402.475 4.719 0 40 HJAB O=C(CNc1cc(Cl)ccc1N1CCOCC1)Nc1ccccc1-c1ccccc1 7977314 ZNZONKLDIOJEQO-UHFFFAOYSA-N 421.928 4.894 0 40 HJAB CCOc1ccc(-c2nc(NC(=O)[C@@H](C)NC(=O)c3cccc(C)c3)sc2C)cc1 8230051 FTCJXQIZCFYTMA-OAHLLOKOSA-N 423.538 4.583 0 40 HJAB COc1cc(CNC(=O)CC(c2ccccc2)c2ccccc2)cc(OC)c1OC 8361485 OTGCAZQKLJJZHK-UHFFFAOYSA-N 405.494 4.551 0 40 HJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@H]3C2=O)c1 8741674 FNZHQOGUUKMVSU-AQNXPRMDSA-N 424.909 4.761 0 40 HJAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(CSc2ccc(Cl)cc2)cs1 8815939 RRCDXGWIIDIBOV-QGZVFWFLSA-N 422.959 4.885 0 40 HJAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 9577322 WUNXLZBOURJTNX-KRWDZBQOSA-N 409.917 4.631 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(Cl)c1)N(CCCN(C)C)C3=O 10233141 XVXKNSHZGAJHEG-NRFANRHFSA-N 424.928 4.560 0 40 HJAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccc1Sc1nncn1C 12601438 QRUBHWQASSQGAT-UHFFFAOYSA-N 416.934 4.726 0 40 HJAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2c3ccccc3C[C@H]2C)cs1 12770035 JELQLWPNWCZALM-CJTWTEFWSA-N 403.507 4.819 0 40 HJAB COc1ccc(CC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1OC 12775754 KSQYJVSLGSUCJB-OVALSLBJSA-N 413.517 4.660 0 40 HJAB COc1cc2c(cc1NC(=O)[C@H]1CCCN(C(=O)c3ccco3)C1)oc1ccccc12 13005976 PIEJGSJFBOMTPE-HNNXBMFYSA-N 418.449 4.679 0 40 HJAB O=C(Cc1ccccc1Cl)Nc1ccnn1Cc1ccccc1Br 13011505 ZMGBBWCVRUFBRP-UHFFFAOYSA-N 404.695 4.529 0 40 HJAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1cccc2ccccc12 13055726 MLSUQUILESWAOU-GOSISDBHSA-N 415.537 4.802 0 40 HJAB COc1ccccc1[C@H](CNc1nc(C(F)(F)F)nc2ccccc12)N1CCCC1 14084468 IOAIIEYQZYKPTN-SFHVURJKSA-N 416.447 4.906 0 40 HJAB CN(CCOc1ccccc1Cl)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 16175665 ZZXLKSXNHHDGQM-UHFFFAOYSA-N 404.894 4.838 0 40 HJAB CN(Cc1cccc(Cl)c1)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 18008944 UATKDNCXPJGYLX-UHFFFAOYSA-N 411.855 4.629 0 40 HJAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1nc(-c2cnn(C)c2C)cs1 19666580 BSCKWKAFHNXQPQ-UHFFFAOYSA-N 413.890 4.721 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)COc1ccc(I)cc1 21732296 NFXHXIASLGSZJS-UHFFFAOYSA-N 409.267 4.741 0 40 HJAB Clc1ccc([C@@H](CNc2nn3cnnc3c3ccccc23)N2CCCCC2)cc1 21798679 LMKWIJDVLOWWRL-HXUWFJFHSA-N 406.921 4.570 0 40 HJAB 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]3CC[C@@]21C 22067435 GRQROVWZGGDYSW-ZQMFMVRBSA-N 406.607 4.566 0 40 HJAB in-vitro COc1ccccc1Cn1c([C@@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 27792576 XYIIFRTWQKMWAI-HXUWFJFHSA-N 411.505 4.922 0 40 HJAB COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2C)cc1 28527975 CCQMOEKBUPQJKT-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB O=C(CSc1nc2ccccc2n1C(F)F)c1ccc(N2CCCC2=O)cc1 31782082 AVCDXISXBHMKQK-UHFFFAOYSA-N 401.438 4.533 0 40 HJAB C[C@@H](C(=O)Nc1ccccc1CN(C)C1CCCCC1)n1c(=O)oc2ccccc21 32904228 SFQGGHWTKBHFSZ-KRWDZBQOSA-N 407.514 4.559 0 40 HJAB O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc(NC(=O)C2CC2)cc1 32962544 GQVWGHKGRMKXRA-UHFFFAOYSA-N 403.409 4.624 0 40 HJAB COc1cccc(Cn2cnc3c4ccccc4n(Cc4cccc(C)c4)c3c2=O)c1 35400274 YHYNQFYHVAGHMW-UHFFFAOYSA-N 409.489 4.765 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H](c1ccccc1)c1ccccn1 36714899 VWQAONUIKMZWIX-MGPUTAFESA-N 411.299 4.517 0 40 HJAB O=C(Nc1ccc(Cl)cc1)c1nnn(Cc2ccc(Cl)cc2)c1-n1cccc1 49002900 ZTMGQUREMFEMTA-UHFFFAOYSA-N 412.280 4.676 0 40 HJAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1c(F)cccc1F 57486715 BWWJSYJKJDHUHX-UHFFFAOYSA-N 414.799 4.775 0 40 HJAB Cc1cc(C)c(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(C)c2=O)c(C)c1 57528077 ZEXCDMRAJHFIAJ-UHFFFAOYSA-N 409.917 4.745 0 40 HJAB CSCc1nc2ccccc2n1CC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 58297231 SJAPAPKBQXLRDI-OAQYLSRUSA-N 405.567 4.968 0 40 HJAB CC(=O)Nc1cccc(COC(=O)c2cc(-c3cccs3)nc3onc(C)c23)c1 65567931 GQBPMQBLSNUAJI-UHFFFAOYSA-N 407.451 4.575 0 40 HJAB O=C1CSC(=O)N1Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)cc1 70039098 UHILMOWLGYWADJ-UHFFFAOYSA-N 414.914 4.596 0 40 HJAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)c2ccccc2Br)C1 77200113 ZGVVDUXXCAPFLP-HZPDHXFCSA-N 417.303 4.739 0 40 HJAB O=C(OCc1cncc(Br)c1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 95350046 WFCLTFQLIGDJDS-ZIAGYGMSSA-N 400.194 4.710 0 40 HJAB Cc1nn(-c2ccccc2)c(O)c1[C@H]1Nc2ccccc2C(=O)N1C1CCCCC1 102454286 QAODEMDRTKMEBL-QFIPXVFZSA-N 402.498 4.786 0 40 HJAB COc1ccc(-c2csc(C3=C(O)CN(c4cccc(C(C)=O)c4)C3=N)n2)cc1 102730479 OZVVUQQQWBZFHD-UHFFFAOYSA-N 405.479 4.788 0 40 HJAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3nc(S[C@H]4C=CCCC4)sc3c1)[C@H]1C=C[C@H]2C1 104213377 LEFZOUDMQFBAFK-QBQAKCNGSA-N 408.548 4.809 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 136533937 FTTDWVCYHGBMDR-HOTGVXAUSA-N 416.399 4.637 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 222607878 JQHODSMNZWJIAC-OAHLLOKOSA-N 403.891 4.663 0 40 HJAB CSc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1NC(=O)C(C)C 224039910 RGCAUYWGWIBLSC-INIZCTEOSA-N 420.600 4.659 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccccc3C)c2)cc1 224149205 WXLLPFJEFVLJEW-IBGZPJMESA-N 422.550 4.620 0 40 HJAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)c(C)c1 224151409 IHCRCZHIQORECR-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 224732316 HRNNGAQQXHJCQA-JOCHJYFZSA-N 414.977 4.771 0 40 HJAB Cc1ccc(C(=O)NCCCc2ccccc2Cl)c(I)c1 225024989 JZFSYOZMBBXZPT-UHFFFAOYSA-N 413.686 4.616 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 225125974 LNSIBVCYQZPXDV-RBUKOAKNSA-N 414.977 4.913 0 40 HJAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C)c1ccc(C)c(C)c1 225717589 ZNOJMWVSPUERLS-GOSISDBHSA-N 418.584 4.690 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)cc1 225796088 YDUCUYKTQCEWMA-UHFFFAOYSA-N 407.445 4.800 0 40 HJAB CN1C(=O)CCC[C@H]2CN(Cc3cc(Cl)ccc3OCc3ccccc3)CC[C@H]21 257282459 OTVNNLYKYVESCC-SIKLNZKXSA-N 412.961 4.752 0 40 HJAB Cc1cc(C(=O)NC[C@H]2CC[C@H](c3nc(C(C)C)ncc3-c3ccncc3)CC2)on1 257287133 POQZSHPWUSOECS-UAPYVXQJSA-N 419.529 4.662 0 40 HJAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)COc3cccc(F)c3)o2)c1 257320725 VYGWBGKBDMVOTN-QFIPXVFZSA-N 424.472 4.546 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)Cc1nnc(-c2ccccc2)o1 408714254 MGMOMCVKSKLIIQ-UHFFFAOYSA-N 408.845 4.626 0 40 HJAB CN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(Br)c2)C1=O 408813308 QPBIUAVZUBGNOR-SXGWCWSVSA-N 422.275 4.833 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC(C)C)cc1 409096097 FJIVAZSOPVEJLE-UHFFFAOYSA-N 410.543 4.731 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O 409352387 CGEHYKBYFJPPEF-YSWHLYNJSA-N 412.898 4.880 0 40 HJAB Cc1cccc(Cc2sc(NC(=O)c3c(C)nn4c(C)cc(C)nc34)nc2C)c1 516401153 UAQGTNSUCHSBMY-UHFFFAOYSA-N 405.527 4.571 0 40 HJAB CC1(C)C[C@]2(CCCN2C(=O)c2ccc(C(F)(F)F)cn2)CN1c1cccc(F)c1 2037988396 DGJASWOXXLJVSH-OAQYLSRUSA-N 421.438 4.903 0 40 HJAB COc1ccc(OCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 903130 VGJVEWRYIVDUHP-UHFFFAOYSA-N 422.428 4.779 0 40 HJAB COc1cccc(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1 917987 GAFMHSPJZUBQDH-UHFFFAOYSA-N 423.416 4.885 0 40 HJAB Cc1ccc(-n2c(N)c(C(=O)N[C@H](C)c3ccccc3)c3nc4ccccc4nc32)cc1 2312569 WFHXSURCGXEWHL-QGZVFWFLSA-N 421.504 4.955 0 40 HJAB CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1I 2377740 LVXGPZSNDWXDTE-UHFFFAOYSA-N 400.256 4.974 0 40 HJAB COc1ccccc1CC(=O)Nc1ccc(-c2noc(-c3ccccc3OC)n2)cc1 2931024 AKVDULZCECUEIE-UHFFFAOYSA-N 415.449 4.602 0 40 HJAB CCN(c1ccc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)cc1)C(C)C 3311570 MDJIZEKKIUPORB-UHFFFAOYSA-N 405.498 4.573 0 40 HJAB COc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)oc1ccccc12 3364886 CHHNBTJLNDNKCL-QGZVFWFLSA-N 414.461 4.582 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CCC(=O)[C@@]2(C)OC(C)=O)C1 3849964 VQRXERHIFBGNDD-MDSAMHQSSA-N 418.574 4.852 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1CC(C)(C)NC2(C)C 4275296 FKGSBIJTMFUEMP-UHFFFAOYSA-N 414.571 4.953 0 40 HJAB CCC[C@@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 4628434 NNIQESUFOAKTMF-TWLOVUBOSA-N 400.588 4.907 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C(C)(C)C)ccc2O)nnc1-c1ccccc1 4988440 NOYKVJKOXSCQFM-UHFFFAOYSA-N 410.543 4.699 0 40 HJAB COc1ccc([C@]23CCCC(=O)[C@@H]2[C@H]2C(=O)CCC[C@]23c2ccc(OC)cc2)cc1 5051901 BSDPXGJTKANWJY-POTDNYQPSA-N 404.506 4.632 0 40 HJAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cccc2ccccc12 5980909 PDTPJTLPBDFBPN-UHFFFAOYSA-N 408.523 4.657 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)N(C)[C@H](C)c4ccccc4)c(=O)c23)cc1 7375513 WXABSPUBOFDQJY-QGZVFWFLSA-N 417.534 4.653 0 40 HJAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3cccc(F)c3)sc2n1 7604202 AGRILOFRSKZAND-UHFFFAOYSA-N 402.520 4.795 0 40 HJAB CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)cc1OC 8917242 ZARDSWFPQTTZTH-OAQYLSRUSA-N 407.466 4.546 0 40 HJAB Cc1cc(Br)c(NC(=O)CN(C)C2CCCCC2)c(Br)c1 9453446 LCXNZCXACHZBNT-UHFFFAOYSA-N 418.173 4.723 0 40 HJAB COc1ccc(-c2csc(NC(=O)CSc3ncnc4sccc34)n2)cc1 9951586 DZPHACLMAKNQKG-UHFFFAOYSA-N 414.537 4.554 0 40 HJAB CCCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 11021282 PJSJGZLUJMLQIO-UHFFFAOYSA-N 414.962 4.905 0 40 HJAB COc1ccccc1[C@H](C)NC(=O)/C=C/c1ccccc1OCc1csc(C)n1 11515876 BNTOYMWNFMSFDO-DBTPVHCXSA-N 408.523 4.930 0 40 HJAB Cc1cc(-c2cnc(NC[C@H](c3ccc(F)cc3)N(C)C)nc2-c2ccoc2C)on1 12251515 RFGBBGPSBGVLRP-HXUWFJFHSA-N 421.476 4.862 0 40 HJAB COc1ccc(CNc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 12419418 NMAMKAWFRLCZEY-UHFFFAOYSA-N 424.478 4.697 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 12559744 HXYYVURFGKNUBK-KZULUSFZSA-N 422.287 4.539 0 40 HJAB COc1ccc(-c2nc(Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)cs2)cc1 12810777 YLBYPTBTUQYTFT-UHFFFAOYSA-N 417.416 4.539 0 40 HJAB O=C(CCc1c[nH]c2ccccc12)Nc1ccnn1Cc1ccccc1Br 12878523 NTHMGEYOXRMHDP-UHFFFAOYSA-N 423.314 4.747 0 40 HJAB Cc1cc2nc(C)c(CCC(=O)N(C)Cc3cccc(Cl)c3Cl)c(C)n2n1 12919778 VQKLPNNOARRHDX-UHFFFAOYSA-N 405.329 4.553 0 40 HJAB COc1ccc(CCN[C@H]2C3=C(CCCC3)C(=O)N2[C@@H](C)c2ccccc2)cc1OC 13943755 RSMADMFDHHKCIQ-AVRWGWEMSA-N 420.553 4.636 0 40 HJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 13994472 WFEBQCHWLUEACH-OAQYLSRUSA-N 424.522 4.592 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1Br 14411207 YEWPSUQZDLTNAD-UHFFFAOYSA-N 411.104 4.565 0 40 HJAB CCOc1ccc(N2C(=O)CN(c3ccc(C)c(C)c3)C(=O)[C@@H]2c2ccccc2)cc1 15412662 GPYFYIFXAPUNBL-VWLOTQADSA-N 414.505 4.823 0 40 HJAB CCc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(F)cc3)cc12 16841478 SEJPCALAIWIKKY-UHFFFAOYSA-N 406.486 4.829 0 40 HJAB O=C(COc1ccc2ccccc2c1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 17093004 MNPSMVCYVPWLNP-UHFFFAOYSA-N 422.440 4.658 0 40 HJAB Fc1ccc(OCc2cc([C@@H]3CCN(Cc4ccc5ncccc5c4)C3)n[nH]2)cc1 19704545 VEEMCFDGLUKKES-LJQANCHMSA-N 402.473 4.666 0 40 HJAB COc1ccc(/C=C/C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19798224 XMUODDWWDMCQAL-SAPNQHFASA-N 412.533 4.642 0 40 HJAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(Br)cc2)cc1 19933296 ZPELVHIDFJPEEE-SFHVURJKSA-N 412.349 4.523 0 40 HJAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1ccc(Cn2cncn2)cc1 20719470 HWWAKVZDQZDKDH-UHFFFAOYSA-N 407.477 4.587 0 40 HJAB CC(=O)c1ccc(N2CCN(Cc3nc(-c4ccccc4Cl)oc3C)CC2)cc1 20997636 RMZPHVOJZRKUCJ-UHFFFAOYSA-N 409.917 4.828 0 40 HJAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1ccc(C(=O)NC2CC2)cc1 22193172 YQXMFILQBPTVQP-UHFFFAOYSA-N 409.489 4.839 0 40 HJAB Oc1c([C@H](c2ccc(Cl)cc2)N2CCCCC2)sc2nc(-c3ccco3)nn12 22851930 UHFWRUNIMGNOIM-INIZCTEOSA-N 414.918 4.985 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)Sc2nccc(C(F)(F)F)n2)c(Br)c1 26482488 ZSOWODVHNHKGTL-VIFPVBQESA-N 420.254 4.686 0 40 HJAB Cc1ccccc1-n1c(SCc2noc(C(C)(C)C)n2)nc2ccccc2c1=O 28008922 JNWANXOFCIRUDG-UHFFFAOYSA-N 406.511 4.667 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(Cl)c2)c1 32074892 ZESDZQWGLXGOLG-UHFFFAOYSA-N 409.829 4.813 0 40 HJAB Cc1cc(C)cc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3ccc(C(C)C)cc32)c1 32103631 QYVIXFXTSQHOOX-DEOSSOPVSA-N 400.482 4.842 0 40 HJAB COc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)c2c(C(C)(C)C)nn(C)c2-3)cc1 33808216 TULUWZZNHAKPLJ-UHFFFAOYSA-N 420.538 4.747 0 40 HJAB O=C1C[C@@H](c2ccc(Br)cc2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 35143207 OWBCDVCSTZQHQW-AWEZNQCLSA-N 402.679 4.967 0 40 HJAB CC1=C(C(=O)OC(C)C)C(c2cccc3ccccc23)C(C(=O)OC(C)C)=C(C)N1 35193708 VODSHWKUNMTYIP-UHFFFAOYSA-N 407.510 4.978 0 40 HJAB O=C(O)[C@H]1[C@@H](c2ccccc2)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 35529512 XZINBBVSLWSWBO-HOYKHHGWSA-N 413.473 4.878 0 40 HJAB O=C(NCCSCc1ccccc1)C1CCN(Cc2c(F)cccc2Cl)CC1 39759471 AJCSGSFTLYKBJF-UHFFFAOYSA-N 420.981 4.741 0 40 HJAB CC1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(F)cc2)CC1 39843957 PHFAEPQIYSWCDP-UHFFFAOYSA-N 400.475 4.550 0 40 HJAB C[C@H]1C[C@@H](C)N(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c2ccnn21 40146279 CWQSBZRIVHMVKS-OLZOCXBDSA-N 420.460 4.954 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccc(C)cc3)CC1)CC(C)(C)O2 44855522 RGTCKNQKUFYXNX-QHCPKHFHSA-N 422.569 4.634 0 40 HJAB Cc1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c2cccnc12 48235984 BGUOUYNVWBTMMD-UHFFFAOYSA-N 420.456 4.915 0 40 HJAB CN(Cc1ccccc1)c1ccccc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 48326013 TZOMGKYAOYNXHY-UHFFFAOYSA-N 423.557 4.909 0 40 HJAB CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 58029567 SWUFIEQSZKXKRR-DVUSVXRNSA-N 419.565 4.620 0 40 HJAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 69188398 KWQPWQNQJQFZAO-KPZWWZAWSA-N 411.304 4.764 0 40 HJAB COc1ccccc1CN1CCC[C@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 72330444 ABLIGMZVMXTMTD-NVQXNPDNSA-N 421.585 4.740 0 40 HJAB O=C(CN1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1)Nc1ccccn1 72349553 HSEIKHAMPLMZJC-UHFFFAOYSA-N 420.944 4.539 0 40 HJAB C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N1[C@H](C)CCC[C@H]1C 103268232 LSECTTZCWRMBDU-MXWKQRLJSA-N 420.888 4.672 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 222502923 JVYUUXMCVKRUNB-QHCPKHFHSA-N 424.585 4.829 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 222996880 UPZQVHIDYYXYCL-HXUWFJFHSA-N 412.599 4.562 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)cc(C)c1 223674300 XJVPHMKWNQYVHZ-QHCPKHFHSA-N 424.585 4.577 0 40 HJAB CCOc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C 223840895 HSCIYNQZBNJGIC-HKWRFOASSA-N 406.507 4.865 0 40 HJAB CCCC[C@H](CC)CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 224078454 MDQCGCTVYNQOKF-SFHVURJKSA-N 402.560 4.742 0 40 HJAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 224423665 YSPIURSTILCELQ-FCHUYYIVSA-N 415.497 4.584 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)cc1 224758753 QYCCQXCJNGECRJ-IBGZPJMESA-N 410.533 4.543 0 40 HJAB Cc1nccn1-c1ccc(CNC(=S)Nc2ccc(Br)cc2F)cc1 225457787 HNEXDMNVBJXJGI-UHFFFAOYSA-N 419.323 4.569 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCc2cccc(OC(C)C)c2)cc1Cl 225524564 IADSRCNVOZXLBV-UHFFFAOYSA-N 406.935 4.791 0 40 HJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225699256 YEAUGMHZALWYHX-JXALWOEJSA-N 404.595 4.967 0 40 HJAB O=C1CCCN1c1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cc1 225810824 PKBOLGIVLQXTFZ-UHFFFAOYSA-N 411.546 4.751 0 40 HJAB Cc1cc(N2CCC(C)CC2)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 225919155 IQLJTNXPUPCCOZ-UHFFFAOYSA-N 421.570 4.768 0 40 HJAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)c3ccccc3F)CC2)n1 257209641 BRGVYULJMUWVKF-IYARVYRRSA-N 422.504 4.900 0 40 HJAB CCCc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)n(C)n1 257218982 DFCKRGLKHXCFBT-LJQANCHMSA-N 412.921 4.582 0 40 HJAB Cc1cc(C)cc(-c2cccc(CC3(C(=O)NC(C)(C)C[C@H](C)O)CCOCC3)c2)c1 257223617 DYDLEUHBDHLKAO-NRFANRHFSA-N 423.597 4.975 0 40 HJAB CNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCCC2)CC1 257330425 XOIXQUWECOPJJK-UHFFFAOYSA-N 410.583 4.503 0 40 HJAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)c1C 408640801 JWHLYLXMLDQVTK-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB CCOc1cc(Br)c(/C=C2\C(=O)N(CC)c3ccccc32)cc1OC 409110537 DTMGVFUARMDZSJ-GDNBJRDFSA-N 402.288 4.764 0 40 HJAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 409169880 SQUBLYHKNKPBOC-SMEDBKPVSA-N 424.522 4.847 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2C)c1 409411558 JDNWYDPQSIWRHF-UHFFFAOYSA-N 416.587 4.823 0 40 HJAB CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC(=O)N(C)c2ccccc21 1115876344 PEJPKRYXYZMHGJ-INIZCTEOSA-N 405.325 4.881 0 40 HJAB Cc1cccnc1CN1CCC2(CC1)C[C@@H](Cc1ccc(F)cc1)N(CC(C)C)C2=O 1615158991 SUGLIGSPGUTEAO-HSZRJFAPSA-N 423.576 4.611 0 40 HJAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cccc(Cl)c1 684279 PGNXPSCQXNRXQI-IBGZPJMESA-N 412.902 4.748 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Br)o2)cc1 859847 AASQSUPHJQRFJP-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB COC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2cc(C)ccc2C)c1C 868948 AIBGBSHGJQCQSF-UHFFFAOYSA-N 422.506 4.965 0 40 HJAB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)c(C)c1 870436 JPFKGAPUGAYSPC-UHFFFAOYSA-N 402.907 4.683 0 40 HJAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)c(C)c1 990116 CDOYGFPWIKVXJY-VWLOTQADSA-N 419.908 4.964 0 40 HJAB O=c1cc(CSc2nnc(-c3ccco3)n2-c2ccccc2)c2ccccc2[nH]1 1069465 WGCWKAJLCYOSDF-UHFFFAOYSA-N 400.463 4.661 0 40 HJAB COc1ccc(OC)c(C(=O)CSc2nc(C)nc3sc4c(c23)CCCC4)c1 1223144 XNAAQLISBGYQLK-UHFFFAOYSA-N 414.552 4.871 0 40 HJAB CCOC(=O)c1oc2ccc(-c3coc4cc(OC(C)=O)ccc4c3=O)cc2c1C 2132533 BAKWQPWXOWTTAY-UHFFFAOYSA-N 406.390 4.617 0 40 HJAB biogenic O=C(COc1ccc(Br)cc1F)NC(c1ccccc1)c1ccccc1 2652652 DMEMQZLTJHMKIM-UHFFFAOYSA-N 414.274 4.873 0 40 HJAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1nc(-c2ccccc2)cs1 2720313 XLCKLDZPYKVZIS-UHFFFAOYSA-N 412.471 4.730 0 40 HJAB O=C(Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)c1c(F)cccc1F 3116948 RYKDRKCZNGCYLJ-UHFFFAOYSA-N 411.427 4.683 0 40 HJAB Cc1cc(Oc2coc3cc(OC(=O)[C@@H]4CCCO4)ccc3c2=O)cc(C)c1Cl 4043304 SEMNAPUJKOIMDM-KRWDZBQOSA-N 414.841 4.940 0 40 HJAB CCOc1ccc(-n2c(SCC(=O)c3ccc[nH]3)nnc2-c2cccc(C)c2)cc1 4404959 MGDHVWOWSYZTPT-UHFFFAOYSA-N 418.522 4.945 0 40 HJAB O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCC(c2ccccc2)=N1)c1ccccc1 4770883 QJSNGWARUFIDPR-QHCPKHFHSA-N 403.913 4.921 0 40 HJAB Cc1ccc(NC(=O)CSCc2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 4818280 NFOLZESGKORPCE-UHFFFAOYSA-N 415.518 4.974 0 40 HJAB CCCc1cc(C(=O)OCC)c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)s1 4903594 UURQRNAEFYOBCJ-DACLVMHWSA-N 419.543 4.509 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)NCCc1cccs1 5318744 WMGBOKOAYADCRL-UHFFFAOYSA-N 405.548 4.809 0 40 HJAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCC(Cc2ccccc2)CC1 5603981 UOMXVHWVHKLNOZ-UHFFFAOYSA-N 423.528 4.662 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c(C)c1 5986743 SNHZXOWUHNONOM-UHFFFAOYSA-N 407.495 4.584 0 40 HJAB Cc1ccc(NC(=O)Cc2nc(CSc3nc4ccccc4n3C)cs2)cc1 6648615 RFCHUHCUQADLSS-UHFFFAOYSA-N 408.552 4.812 0 40 HJAB CC(C)(C)c1ccccc1OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 7382046 YBTZXMCHDFKZFB-UHFFFAOYSA-N 420.475 4.731 0 40 HJAB O=C(Nc1c(C(=O)c2ccc3c(c2)OCCO3)oc2ccccc12)c1cccs1 7616155 RJGCSOZGMIEGDB-UHFFFAOYSA-N 405.431 4.749 0 40 HJAB CCn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1ccc(OC)cc1 8184517 VVKWBXLEGAMBTN-UHFFFAOYSA-N 417.918 4.691 0 40 HJAB O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCc1ccc(-n2cccn2)cc1 8718327 ABVDQCNEHXIASR-UHFFFAOYSA-N 424.715 4.570 0 40 HJAB COc1ccc(C)cc1NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 8826181 PDFHVJGJCXOQRI-CCEZHUSRSA-N 422.506 4.669 0 40 HJAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc(Br)o3)ccc21 9164773 KDIDWKKRINWGNB-UHFFFAOYSA-N 405.292 4.620 0 40 HJAB COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCCC2)cc1 9463487 ANAFCKDFJKGMQK-UHFFFAOYSA-N 404.510 4.820 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 10009614 IIDSRPYVOPJFKN-UHFFFAOYSA-N 420.943 4.787 0 40 HJAB Cc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)cc1F 10188206 QDRMEJLSEZGWFX-UHFFFAOYSA-N 421.859 4.798 0 40 HJAB COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)cc1OC 10367874 LXGTWXDGDPTSGW-UHFFFAOYSA-N 409.461 4.550 0 40 HJAB Cc1nc2scc(-c3cccc(NC(=O)Nc4ccc(F)cc4)c3)n2c(=O)c1C 11773408 GQYMDXINRCRXLU-UHFFFAOYSA-N 408.458 4.823 0 40 HJAB COc1ccc(C(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc3nccnc3c2)cc1 12420942 WORYWOJRTMHZMZ-OAQYLSRUSA-N 414.490 4.691 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)N4C[C@@H](C)O[C@H](C)C4)cc3)sc2c1 12692028 LPMKVJILDYTVAH-ZACQAIPSSA-N 409.555 4.708 0 40 HJAB CCCN(Cc1ccc(C)cc1)C(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 12778553 ACNPWHLXFJBKDI-UHFFFAOYSA-N 409.917 4.555 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)CN(C)[C@H](C)c1nc2ccccc2s1 12980670 NEDFZQPQVZLNST-CYBMUJFWSA-N 403.935 4.898 0 40 HJAB Cc1ccc(Nc2nc(NC[C@H]3CCCO3)nc3c2cnn3-c2ccccc2)cc1C 17052952 GJNHLFMNMMZHCI-HXUWFJFHSA-N 414.513 4.767 0 40 HJAB CCOc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1Cl 17082091 IBRSKQPROPCEMN-UHFFFAOYSA-N 400.887 4.724 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c1 17091158 OXYJNLKFYDLQRX-UHFFFAOYSA-N 417.534 4.991 0 40 HJAB CC(C)n1c([C@@H](C)NC(=O)C2(c3cccc(F)c3)CCOCC2)nc2ccccc21 19662168 DAYKRDVHETVQGC-QGZVFWFLSA-N 409.505 4.682 0 40 HJAB Cc1nc(-c2cccnc2)sc1C(=O)N[C@H](C)c1ccc(Br)cc1 20030091 HDSFWWJJEQKJML-LLVKDONJSA-N 402.317 4.767 0 40 HJAB COc1cccc(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 20458455 GDLRNPXGOOSIAH-UHFFFAOYSA-N 400.522 4.621 0 40 HJAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OCC)c(OCC)c1 20633537 BMCHERNSNCRNHN-QFIPXVFZSA-N 421.497 4.686 0 40 HJAB CCCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ncccc2C)n1 27809989 RVXMLVCGORUQPI-OAHLLOKOSA-N 421.526 4.668 0 40 HJAB Cc1noc(C)c1C(=O)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 29255542 KKBCBMYPWJGVPP-UHFFFAOYSA-N 415.946 4.631 0 40 HJAB CC[C@@H](Oc1ccccc1C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 30853613 OVONOUMIGMSDKQ-LJQANCHMSA-N 406.448 4.520 0 40 HJAB Cn1ccnc1SCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 33527945 SOZAHZGXGPQMLJ-OSTFXTJCSA-N 422.510 4.521 0 40 HJAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)cc1O 36357577 JPXRPKUKCHDEDB-AWEZNQCLSA-N 403.360 4.729 0 40 HJAB CCN1CCN(c2ccc(NC(=O)N(Cc3ccco3)Cc3ccco3)c(C)c2)CC1 40103853 IAVVIXDWJZFSPA-UHFFFAOYSA-N 422.529 4.557 0 40 HJAB COc1ccc([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1 44886089 NDYBXJHEUBRDGT-AWEZNQCLSA-N 414.299 4.867 0 40 HJAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(-n2ccnc2)nc1 45651156 YLEIURAAPGUILU-UHFFFAOYSA-N 420.476 4.681 0 40 HJAB O=C(CN1CCN(c2ccccc2F)CC1)Nc1cc(Cl)c(Cl)cc1Cl 58164021 HLPGPYSWCKZXNX-UHFFFAOYSA-N 416.711 4.547 0 40 HJAB C[C@H](CNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)N(C)c1ccccc1 58245939 PGGLTHGAIRLEAX-LJQANCHMSA-N 416.525 4.610 0 40 HJAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN2C(=O)c2ccccc2)n1 72354617 YLJLMOVEBKNQCJ-SFHVURJKSA-N 412.415 4.722 0 40 HJAB COc1c(C)cccc1C(=O)N1CCC[C@H]1c1cccc(Nc2nc(C)cs2)n1 72375702 IFDIAFYKPUMRPG-SFHVURJKSA-N 408.527 4.884 0 40 HJAB Fc1ccccc1-c1nnc2ccc(NCc3ccccc3CN3CCCCC3)nn12 84505923 AARUZRPFWAKUIG-UHFFFAOYSA-N 416.504 4.528 0 40 HJAB COc1ccc(C2(CNC(=O)c3cccc4c3ccn4C(C)C)CCOCC2)cc1 85878556 RRDLEJDHTVRHIY-UHFFFAOYSA-N 406.526 4.709 0 40 HJAB biogenic O=C(NCc1ccccn1)c1cc2ccc(-c3ccc(F)cc3)cn2c1-c1cocn1 96155491 LNNJZMJQKKQMOJ-UHFFFAOYSA-N 412.424 4.725 0 40 HJAB CC(C)n1c(CCCCCNC(=O)c2n[nH]c3c2CCCCC3)nc2ccccc21 96231599 APNDXYPAKMDCQD-UHFFFAOYSA-N 407.562 4.752 0 40 HJAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Oc3ccc(Br)cc3)cc1)[C@H]1C=C[C@H]2C1 103763164 FGBVKXWLWDKMKY-OYUDYFSCSA-N 410.267 4.553 0 40 HJAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)n1 220810570 SPSDANDCBPNTJC-KRWDZBQOSA-N 400.482 4.621 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 223032378 DHEQWMBJBPQEMI-ZWKOTPCHSA-N 400.950 4.605 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 223208535 KNGATEBSRCIRSK-QHCPKHFHSA-N 424.585 4.713 0 40 HJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 223746607 URTXZLYEVWBDSZ-UZUQRXQVSA-N 408.542 4.890 0 40 HJAB CC(C)(C)CC(C)(C)NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 223823887 QJXBWHKLSJQOIP-UHFFFAOYSA-N 416.587 4.597 0 40 HJAB Fc1ccc(CCCNC(=S)Nc2ncc(Br)cc2Cl)cc1 223965045 JJQANERRPBUYAK-UHFFFAOYSA-N 402.720 4.556 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1ccccc1F)[C@H](C)C(=O)NC1CCCCC1 224704613 WLRVXRYJLBXBDA-LJQANCHMSA-N 410.533 4.543 0 40 HJAB COc1cc2c(cc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1)CCCC2 225002460 PUJJCFDVHXFNQT-VWLOTQADSA-N 421.562 4.950 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)ccc1C 225162327 QDVVNNCBGZVKIO-IBGZPJMESA-N 414.977 4.833 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 225170859 HZGQASQJWLCKEQ-RTBURBONSA-N 414.977 4.831 0 40 HJAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC(C)C)cc1 225531530 XIOLWMTVEMNEEG-OAQYLSRUSA-N 408.586 4.993 0 40 HJAB Cc1ccc(CN(C(=O)CCc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)cc1 225532132 DKTBMPKIGATDHK-SFHVURJKSA-N 400.950 4.523 0 40 HJAB CN(C(=O)C(F)(F)F)c1ccc2nc(Cc3ccc(Br)cc3)oc2c1 226271095 CTMOTOQWPCMQAA-UHFFFAOYSA-N 413.193 4.706 0 40 HJAB O=C(CSc1nc(COc2cccc(Cl)c2)no1)Nc1ccc(Cl)cc1 226822648 UDQXRPCDVIPXGG-UHFFFAOYSA-N 410.282 4.686 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 409011603 GOPQHNOUNAVQMH-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3O)N(C)C2=S)cc1 409029886 CUOMBHGFOVEAAJ-SXGWCWSVSA-N 423.321 4.702 0 40 HJAB Cc1cccc(-n2c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nnc2-c2ccncc2)c1 409096252 JXNTZZSJCRUYBQ-ROUUACIJSA-N 421.570 4.519 0 40 HJAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3c[nH]c4ccccc34)C2=O)c(C)c1 409374018 JHXFRYBMUFEXGJ-VXLYETTFSA-N 419.506 4.768 0 40 HJAB COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 629904 HCMVOSKLXDIXFV-HSZRJFAPSA-N 423.559 4.703 0 40 HJAB CN(Cc1ccccc1)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 673999 YDKLOESHRIVDRB-IEBWSBKVSA-N 414.431 4.816 0 40 HJAB O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1cccc(Cl)c1 849501 NIVHTBPZINPQCO-UHFFFAOYSA-N 424.707 4.883 0 40 HJAB O=C(NCc1ccccc1)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 866474 CJBFKAWJPQWQGP-ZBFHGGJFSA-N 406.433 4.535 0 40 HJAB Cc1cc(I)ccc1NC(=O)c1cccc(Br)c1 1434864 NWFLZWKEUFKGAP-UHFFFAOYSA-N 416.056 4.614 0 40 HJAB O=C(c1ccccc1)[C@H](c1ccccc1)[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21 1624260 VWMXTTTURNAMRN-HTAPYJJXSA-N 412.272 4.800 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(SC)ccc2Cl)c1C 2620174 XCCVOJFEZFAZIF-GFCCVEGCSA-N 423.918 4.612 0 40 HJAB Fc1cccc(Cl)c1[C@@H]1C[C@H](c2cccc(Br)c2)Nc2ncnn21 2918460 IPVFGCSRHWTELF-CABCVRRESA-N 407.674 4.979 0 40 HJAB Cc1nc(-c2ccccc2)sc1CCNS(=O)(=O)c1ccc2c(c1)CCCC2 4392339 VBLDVUVARZCSGU-UHFFFAOYSA-N 412.580 4.518 0 40 HJAB COC(=O)Cc1c(C)c2cc(Cl)c(OCc3cc(C)ccc3C)cc2oc1=O 5100739 DDMLVUWRIJATJM-UHFFFAOYSA-N 400.858 4.666 0 40 HJAB Cc1ccccc1NC(=O)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 5626142 SKEQTUMAANAMMQ-UHFFFAOYSA-N 412.493 4.508 0 40 HJAB CCn1c(-c2ccccc2)c(C2=NN=C(N[C@H](C)COC)SC2)c2ccccc21 5688104 MANJLKYQVQJXCW-MRXNPFEDSA-N 406.555 4.760 0 40 HJAB CCOC(=O)c1ccc(N[C@@H]2SC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 6148159 BTDZOUGNLCAOSM-OAHLLOKOSA-N 424.400 4.520 0 40 HJAB CN(C)C(=O)[C@H](OC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1 6847307 JSDQORDETAWEQW-JOCHJYFZSA-N 416.502 4.950 0 40 HJAB CCNC(=O)[C@H](C)Sc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 6930311 SCVPREDNOPYILO-ZDUSSCGKSA-N 407.461 4.720 0 40 HJAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1ccc2c3c(cccc13)CC2 7652064 HUSTYKJPGHGGSC-LJQANCHMSA-N 419.546 4.719 0 40 HJAB Clc1ccccc1OCc1nnc(SC[C@@H]2CCCO2)n1-c1ccccc1 8132151 MVHNZSFSSCKPJL-INIZCTEOSA-N 401.919 4.771 0 40 HJAB C[C@H](Sc1nnc(C2CC2)n1C)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 8424774 SOBPXNSMAHCMJY-NSHDSACASA-N 409.540 4.511 0 40 HJAB CCCCOc1ccc(C(=O)NC(=S)N(CCC)CCC)cc1Br 8564121 MHSSVKMDIXQQHQ-UHFFFAOYSA-N 415.397 4.765 0 40 HJAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccccc1OCc1ccc(F)cc1 10764186 XXYDNUIHTUHZDF-UHFFFAOYSA-N 418.468 4.683 0 40 HJAB Cc1nc(NC(=O)c2cccc3c2O[C@H](C)[C@H]3C)sc1-c1nccn1C(F)F 12578265 DOMRHIQUYZYDOW-MWLCHTKSSA-N 404.442 4.847 0 40 HJAB CC(=O)c1ccccc1OCCSc1nc2ccccc2c(=O)n1-c1ccccc1 12592486 HZHXEZRBDKFUHY-UHFFFAOYSA-N 416.502 4.759 0 40 HJAB CCn1c(S[C@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1ccc(OC)cc1 12777640 IHQFZHJWVKZSIU-CYBMUJFWSA-N 401.919 4.991 0 40 HJAB CCCOc1ccc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 12863943 KIGDFKZKHPUHTM-UHFFFAOYSA-N 410.539 4.870 0 40 HJAB O=C1C[C@H](C(=O)Nc2nc(-c3ccccc3Cl)cs2)c2ccc(F)cc2N1 12899329 NLDBWQSBEUBUDJ-ZDUSSCGKSA-N 401.850 4.667 0 40 HJAB CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)cc1 13000260 XQXXOASFPOMDRY-LFYBBSHMSA-N 408.479 4.551 0 40 HJAB O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCC[C@@H]1c1cccs1 13069025 YIACVWGZYBMEPS-LJQANCHMSA-N 412.536 4.526 0 40 HJAB CCn1c2ccccc2c2ccc(NC(=O)[C@H](C)Sc3ncnc4nc[nH]c34)cc21 13571864 DYZMGEDJPUJQIP-ZDUSSCGKSA-N 416.510 4.600 0 40 HJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 14004479 VOWJNYDTWQMALZ-SFHVURJKSA-N 424.522 4.510 0 40 HJAB COc1ccc(OCC(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 15835570 MIVQZWRFVZBWGD-HSZRJFAPSA-N 406.507 4.865 0 40 HJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cccc(Br)c1 16028098 OAROTMMKXUHOHH-UHFFFAOYSA-N 424.707 4.883 0 40 HJAB CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 17903397 FXTDZDPFWIBBMS-INIZCTEOSA-N 403.526 4.566 0 40 HJAB Cc1cc(I)ccc1NC(=O)[C@H](C)Oc1cccc(C)c1C 20037876 FVZHVAJSBOCFPN-AWEZNQCLSA-N 409.267 4.622 0 40 HJAB Cc1cc(C)c(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c(Cl)c1 20610448 SARAXLGCPXYOQH-UHFFFAOYSA-N 424.863 4.847 0 40 HJAB Cc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)cc1C 21099539 PSYIFBDKVBRMJJ-UHFFFAOYSA-N 414.465 4.534 0 40 HJAB CCOc1ccc(CCNc2ncccc2C(=O)Nc2cccc(F)c2)cc1OCC 22072189 ISUJPRRZZMWKTH-UHFFFAOYSA-N 423.488 4.925 0 40 HJAB O=S(=O)(Oc1ccc2c(-c3cc(F)c(F)c(F)c3)noc2c1)c1ccccc1 32091000 HLMZAFCQWCADPT-UHFFFAOYSA-N 405.353 4.680 0 40 HJAB COC(=O)c1c(C)[nH]c(-c2ccccc2OC)c1[C@@H]1C(=O)Nc2c(Cl)cccc21 32095075 LAOZCKPHOFCENS-QGZVFWFLSA-N 410.857 4.523 0 40 HJAB COc1ccc(CSc2noc(-c3ccc(Br)cc3)n2)cc1OC 32611975 RBUMPOOVZBDORF-UHFFFAOYSA-N 407.289 4.809 0 40 HJAB O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Cn2cccn2)cc1 32879016 YZXMSBDZWNWHJJ-XMMPIXPASA-N 421.504 4.522 0 40 HJAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C 34878887 GAVPTDTXMURNDZ-LBPRGKRZSA-N 421.353 4.905 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2nc(C)c(-c3nc(-c4cccs4)no3)s2)cc1 35673188 KDYNBJRFEUJAJB-JXMROGBWSA-N 424.507 4.891 0 40 HJAB Cc1cccc2sc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)cc3)nc12 40129380 ZELBHQDQFBZAIX-UHFFFAOYSA-N 422.531 4.831 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3nc4c(C)cc(C)cc4s3)no2)cc1OC 46086706 IUTLMLXNLQDTQT-UHFFFAOYSA-N 409.467 4.838 0 40 HJAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1ccccc1C(F)(F)F 49030354 BBICISZGIYYJBF-OAHLLOKOSA-N 418.415 4.735 0 40 HJAB O=C(c1sc2ccccc2c1[C@@H]1CCN(Cc2ccc(F)cc2)C1)N1CCOCC1 72352384 RCGMDKHCHDQAQM-GOSISDBHSA-N 424.541 4.502 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 77197856 AXENIVGNGUZGMH-VIFPVBQESA-N 408.302 4.519 0 40 HJAB Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)Nc1cccc(Cn2cncn2)c1 84093290 VFMCQXXIZSCYHH-UHFFFAOYSA-N 422.489 4.626 0 40 HJAB CCc1n[nH]c(-c2ccccc2NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)n1 89289865 HVIIVFTVPKNMAI-UHFFFAOYSA-N 417.513 4.805 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 90593224 MFHLLTRGHKLIFL-YJYMSZOUSA-N 414.914 4.617 0 40 HJAB Cc1ccccc1NC(=O)Cn1nc(-c2ccc(Br)cc2)nc1C(C)C 96011634 GQSQQTAQDXSKRR-UHFFFAOYSA-N 413.319 4.778 0 40 HJAB Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NCC(C)C)c2ccccc2O3)o1 96053517 WANOWQFZGTVXDR-HXUWFJFHSA-N 410.558 4.651 0 40 HJAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2ccco2)C[C@H](c2ccccc2)C1 102668255 BWJXPGMHBFROEJ-YVEFUNNKSA-N 400.360 4.955 0 40 HJAB C[C@H](NC(=O)C1CCC(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102955552 IOGFZBPTYATEIP-AVHJBORPSA-N 414.634 4.675 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 222530825 NCEJUGZBBNSYAG-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 222737583 DZHFGVMGDCBOGQ-UHFFFAOYSA-N 418.562 4.839 0 40 HJAB CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccc4ccccc4c3)n2)cc1 223592003 YAKJWWOSCVQFFE-UHFFFAOYSA-N 421.522 4.666 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12 223722785 CXSAPGWXAXCSOO-SFHVURJKSA-N 422.956 4.979 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(C)C)cc2)c1 224076191 ZLVYYDZTADVDIM-UHFFFAOYSA-N 422.550 4.849 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccccc1 224113970 IKKKUIBFWIBSLJ-HSZRJFAPSA-N 424.610 4.786 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 224761158 LFKXBHJEXFFFOQ-NRFANRHFSA-N 418.940 4.601 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(CC)cc1 225194456 ADZRQXOCFMZTEO-LJQANCHMSA-N 412.549 4.654 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2cc(C)ccc2C)cc1 225475650 WNYLTTBNICYOBJ-STZFKDTASA-N 406.507 4.783 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 225573157 VSZKAEDOIXESEZ-URXFXBBRSA-N 408.586 4.958 0 40 HJAB COCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1Cl 225578843 JPNQBMDXTDCASB-UHFFFAOYSA-N 424.324 4.706 0 40 HJAB CO[C@]1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCC[C@H](C)C1 225636845 AQBCKUTUANEWKK-GBXCKJPGSA-N 402.579 4.865 0 40 HJAB CCc1cccc(C)c1NC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225818526 BQHURLSWFXFGKJ-UHFFFAOYSA-N 414.303 4.941 0 40 HJAB C[C@@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NC2CCCC2)n1 226006188 ZJDCEJSOKBLKQS-MRXNPFEDSA-N 411.575 4.877 0 40 HJAB COc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(Br)c(C)c2)o1 226764043 KUKHGTDSSSPIFV-UHFFFAOYSA-N 401.260 4.861 0 40 HJAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2ccccc2OC)o1 257256672 KMKRCEKRPLPHIY-HXUWFJFHSA-N 406.482 4.650 0 40 HJAB CCNc1nc(C)c(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)s1 257345084 ZZXDSPJLGFVRDP-KRWDZBQOSA-N 414.506 4.579 0 40 HJAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 334160925 OZLURRJRMNKUFM-LLVKDONJSA-N 411.552 4.656 0 40 HJAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(CC)cc2)c1 408628177 QHFVFFSNSNGELR-UHFFFAOYSA-N 403.935 4.768 0 40 HJAB COc1ccc(C2=N/C(=C\c3ccccc3OCc3ccc(F)cc3)C(=O)O2)cc1 408983736 HKCZAJCZFXDEOJ-STZFKDTASA-N 403.409 4.758 0 40 HJAB O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1cccc(-c2ccc3ccccc3c2)n1 521507824 CDNJEZGOBCCDCK-JOCHJYFZSA-N 409.445 4.630 0 40 HJAB CC(C)[C@H]1N(C(=O)[C@H]2CC[C@H](C(=O)N3CC4(CCC4)[C@H]3C(C)C)CC2)CC12CCC2 560998009 DHYZBLUNGALTEN-GXRSIYKFSA-N 414.634 4.867 0 40 HJAB O=C(NCc1ccc2c(c1)OCCCO2)N1Cc2ccccc2[C@H](c2ccccc2)C1 589680215 ZMFDXRKXLNACMV-QHCPKHFHSA-N 414.505 4.705 0 40 HJAB CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(-c2cccnc2)nc2ccccc12 604405137 KUURZULWIFBCOA-NBGIEHNGSA-N 414.553 4.633 0 40 HJAB biogenic Cc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)c1 666042 WEMHZHRYGGOSBR-LJQANCHMSA-N 422.550 4.606 0 40 HJAB Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)c(C)c2)c(C)c1 1346423 CEXOEWXZJXFZLW-UHFFFAOYSA-N 417.538 4.780 0 40 HJAB COc1ccc(-c2coc3cc(OC(=O)c4ccccc4)ccc3c2=O)cc1OC 1448033 YFIYVJDDDYDMGN-UHFFFAOYSA-N 402.402 4.696 0 40 HJAB biogenic CCCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 2067598 AHRKKPZTYTVPKS-MQSUGXTHSA-N 409.485 4.872 0 40 HJAB CCCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc21 2337562 UJQNBLSPRDIGBF-UHFFFAOYSA-N 420.469 4.797 0 40 HJAB Cc1cc(NC(=O)CSc2ncnc3sc(C)c(C)c23)n(-c2ccccc2)n1 3346528 XKFKVJRPKBXXOF-UHFFFAOYSA-N 409.540 4.533 0 40 HJAB COc1ccc(NC(=O)[C@H](OC(=O)/C=C/c2ccco2)c2ccccc2)cc1Cl 3348788 CLAJFGFEANVVIL-XMZCSZCVSA-N 411.841 4.878 0 40 HJAB COc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N(c3ccc(C)cc3)C1)oc1ccccc12 3372658 PLRDMGLGKNHWLT-MRXNPFEDSA-N 414.461 4.895 0 40 HJAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(C(C)(C)C)cc2)C[S@@](=O)C3)c1C 4224879 FDTLECHBEKHMNQ-PMERELPUSA-N 421.566 4.801 0 40 HJAB Clc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2N2CCOCC2)cc1 4619685 LBZGGIBNXPICNQ-QOCHGBHMSA-N 406.338 4.724 0 40 HJAB O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)NCc1ccc2c(c1)OCO2 4727357 GOAKISBQMNENHA-UHFFFAOYSA-N 419.521 4.578 0 40 HJAB CCc1ccc(N2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)cc1 5043428 LNFKLLAOZCBKIM-UHFFFAOYSA-N 410.470 4.724 0 40 HJAB Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)c1 5067097 NEVDPLWCQHARSI-UHFFFAOYSA-N 408.458 4.622 0 40 HJAB Cc1ccc(C(=O)Oc2ccc(Br)cc2C(=S)N2CCCC2)cc1 6426638 QAAHASRNRCBULN-UHFFFAOYSA-N 404.329 4.748 0 40 HJAB C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N(C)Cc1ccccc1 6531291 OPEYUVPWUVMFHW-QGZVFWFLSA-N 421.566 4.651 0 40 HJAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2OCc2ccccc2)CC1 8071214 XADXDSVACDWRHN-UHFFFAOYSA-N 414.505 4.757 0 40 HJAB CCOc1ccc2nc(NC(=O)[C@H](CC)Sc3nc(C)cc(C)n3)sc2c1 8195722 RALUDWTYGWKKRB-HNNXBMFYSA-N 402.545 4.611 0 40 HJAB Cc1ccc(Oc2ccc(NC(=O)CNc3ccccc3N3CCCC3=O)cc2)cc1 8230619 HKHQUVIRHHPUQA-UHFFFAOYSA-N 415.493 4.965 0 40 HJAB biogenic CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 8961198 RKWCWAVVALEFDA-UHFFFAOYSA-N 408.479 4.798 0 40 HJAB O=C(NCCCc1ccc(F)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 9062750 DTXLLLPEISJROA-UHFFFAOYSA-N 406.904 4.579 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)[nH]2)cc1 9199613 NRBHMBIFNOVWPP-UHFFFAOYSA-N 408.527 4.703 0 40 HJAB COc1cc(CNC(=O)CCCSc2ccc(Cl)cc2)cc(OC)c1OC 9887779 QIAIYFPVPQOETO-UHFFFAOYSA-N 409.935 4.555 0 40 HJAB CN(C)CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1 9943257 XYAWOWOTPNLDDZ-UHFFFAOYSA-N 408.523 4.776 0 40 HJAB Cc1ccc(N(CCCC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1C 10338529 DRDZISVGZWJJGU-UHFFFAOYSA-N 410.539 4.642 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)c(C)c1 10750713 RXDKDGZUKRXGDZ-OAHLLOKOSA-N 415.921 4.531 0 40 HJAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CCc2ccccc2)nc1C 11231971 DUNYKVBSFYRUJE-UHFFFAOYSA-N 408.523 4.794 0 40 HJAB C1CCC2(CC1)OC[C@@H]([C@H]1OC3(CCCCC3)O[C@H]1[C@H]1COC3(CCCCC3)O1)O2 11565571 WGMZNGZBEGHRHH-UJOPUZHASA-N 422.562 4.582 0 40 HJAB CCCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(C3SCCS3)c2)c1 12544853 PGSOXJLVGPRTBR-UHFFFAOYSA-N 422.597 4.569 0 40 HJAB O=C(c1ccccc1)C1CCN(Cn2nc(Nc3ccccc3)sc2=S)CC1 12552236 CRUUKTNMPVAURR-UHFFFAOYSA-N 410.568 4.970 0 40 HJAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(C2SCCS2)cc1 13006298 NVSZJUDXYTWAKS-UHFFFAOYSA-N 414.596 4.965 0 40 HJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2cc(C)ccc2C)cc1 13769881 QMRMWHQBABTUIB-HDYLNDSGSA-N 422.569 4.619 0 40 HJAB COc1ccc(OC)c(C(=O)COC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 15910798 GTGIOLMIPMWRIX-HSZRJFAPSA-N 422.502 4.963 0 40 HJAB NS(=O)(=O)c1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1 16755005 MGLYRHRXJIWXIQ-LYBHJNIJSA-N 410.882 4.633 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)N2CCC[C@H](c3cc4ncccc4cn3)C2)cc1 19084504 JZZODLLTAVTLCU-IBGZPJMESA-N 403.526 4.712 0 40 HJAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN(Cc4ccncc4)C3)cc2n1 19452290 QMNCDPOBKVPWBZ-INIZCTEOSA-N 403.452 4.646 0 40 HJAB COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1C 19577332 SLWQLUZMKVLMLA-ZJSXRUAMSA-N 423.601 4.823 0 40 HJAB CCn1ncc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)c1C 19694356 VDXSSUNNWWFJDM-QFIPXVFZSA-N 422.552 4.601 0 40 HJAB C[C@H](Oc1ccccc1)c1nnc(NC(=O)c2ccc3c(c2)ncn3C2CC2)s1 19714277 GRJNBUNSROFDNA-ZDUSSCGKSA-N 405.483 4.615 0 40 HJAB COc1ccc(CN2CCN(C[C@@H]3CC=CCC3)CC2)cc1OCc1ccccc1 19900072 RBQXQUQZPTXJAK-JOCHJYFZSA-N 406.570 4.748 0 40 HJAB CCOC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(Cc2ccccn2)C1 19902802 SNLQLLZURSXVPX-UHFFFAOYSA-N 402.450 4.818 0 40 HJAB CN(C(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)C1CCCCC1 20457968 MDZIGMQNYDHMPR-VWLOTQADSA-N 422.594 4.908 0 40 HJAB CCOc1ccc(-c2noc(CCC(=O)N3CCCCC[C@@H]3c3cccn3C)n2)cc1 24456680 QCNNBENGKYGWOA-OAQYLSRUSA-N 422.529 4.550 0 40 HJAB COc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(C)cc2)c1 28527818 ZQFQUGWUQRUZSG-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB C[C@H](C(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1)n1cccn1 31612682 CNNFRTDOLMJPLE-GFCCVEGCSA-N 403.269 4.642 0 40 HJAB CCc1cccc(C)c1-n1nnnc1C1(Nc2ccc3c(c2)OCCO3)CCCCC1 35622267 YMEAOQCQUPBSJI-UHFFFAOYSA-N 419.529 4.576 0 40 HJAB C[C@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(F)cc1Cl 40071796 YHHFJWJXAQXAGB-STQMWFEESA-N 403.885 4.505 0 40 HJAB Cc1c(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C 40094945 CMGVGGZEKTUXCA-LBPRGKRZSA-N 419.312 4.674 0 40 HJAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N(C[C@@H]1CCOC1)C1CC1 40107942 XFEGCZNYEWAERO-ZDUSSCGKSA-N 409.313 4.609 0 40 HJAB Cc1cc(Br)oc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 40140410 PJOGXOVDSBAOHF-GFCCVEGCSA-N 421.316 4.786 0 40 HJAB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C)c1ccc(C)cc1 44904396 IRLWGGTZFJFBOE-JOCHJYFZSA-N 422.550 4.985 0 40 HJAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2NC(=O)N2CCCC2)c(C)c1C 47521363 WTRPNRLRSRDATM-UHFFFAOYSA-N 415.559 4.657 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2ccc(-n3cnc(-c4ccccc4)c3)nn2)c1 49401213 LHOGNZNSJOUFDM-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2ccc(C)cc2C)c1 57486294 ZUROJEGNGGCAIQ-UHFFFAOYSA-N 421.566 4.994 0 40 HJAB CCCCCOc1ccc(NC(=O)C(=O)NCCOc2cccc3ccccc23)cc1 59417434 YORHMJITVRCZLN-UHFFFAOYSA-N 420.509 4.543 0 40 HJAB CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1cc(Cl)cc2c1OCOC2 64398548 WZIZNVQGCQVJPG-UHFFFAOYSA-N 400.784 4.796 0 40 HJAB Fc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)cc1 72339471 DNBLJHPPNUIUNI-UHFFFAOYSA-N 400.413 4.686 0 40 HJAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)Cc4c(C)noc4C)C3)c2)c1 72354219 OIEWVLXWBIYCNW-QHCPKHFHSA-N 417.553 4.843 0 40 HJAB CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)C/C=C/c1ccc(F)cc1 95451305 HBZCPPHDUFWXDF-AATRIKPKSA-N 409.505 4.632 0 40 HJAB Cc1cc2nc(CO[C@H]3CN(Cc4ccc(C(F)(F)F)cc4)C[C@H]3F)[nH]c2cc1C 96112347 KKMAPTMKVOPAPC-XLIONFOSSA-N 421.438 4.938 0 40 HJAB biogenic,in-vitro Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1 96183788 XYZUUTPEVTYKMT-MHZLTWQESA-N 416.540 4.919 0 40 HJAB COc1ccc(C)cc1N1C(=O)N[C@@H]2C[C@]1(C)Oc1ccc(Br)cc12 101084973 WXXKEDHJPXFSEI-KUHUBIRLSA-N 403.276 4.536 0 40 HJAB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102726872 KHHCYVQXMCAFRN-BHDDXSALSA-N 418.880 4.700 0 40 HJAB O=C(COC(=O)CCCC(=O)Nc1cccc2ccccc12)Nc1ccc(Cl)cc1 138666334 KZYLQSDGPOMBEK-UHFFFAOYSA-N 424.884 4.784 0 40 HJAB CCOc1ccc(CNC(=O)COc2ccc(C(C)C)cc2Br)cc1 218875968 QVBDLZFDDLDMTO-UHFFFAOYSA-N 406.320 4.666 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 223146806 ALKKJWXXUPFSJL-SFHVURJKSA-N 400.950 4.606 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1Cc1ccccn1 223545025 DDLSSFSFAWCPLV-DHIUTWEWSA-N 417.582 4.956 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 223686780 WAPWANLQAOSIAM-DEOSSOPVSA-N 424.585 4.714 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)cc1C 224231219 NVTXWJVHASIUOG-LJQANCHMSA-N 414.977 4.689 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 224244523 AGUBDKMBJZYXAU-DEOSSOPVSA-N 406.570 4.794 0 40 HJAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 224610824 ODFVBHZEKMFNMR-GOTSBHOMSA-N 412.518 4.755 0 40 HJAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1C 224709709 YIUCDAATRPISEH-UHFFFAOYSA-N 400.522 4.847 0 40 HJAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)c1 225498945 LGXMJHGHWSAGRR-FQEVSTJZSA-N 400.544 4.864 0 40 HJAB CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)n(C)n1 257339477 ZBWUVGCGMBIZKY-FQEVSTJZSA-N 410.493 4.629 0 40 HJAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)cc1OCc1cccnc1 257340160 ZEVFRGIXNQHOEX-PCXUCGPOSA-N 409.526 4.544 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 408673268 QYPHUBUICLJTIY-FSPWUOQZSA-N 410.901 4.826 0 40 HJAB COc1ccc(S(=O)(=O)NCCSCc2ccccc2Cl)cc1C(C)C 408681814 ZJRQQQOWPKJIHU-UHFFFAOYSA-N 413.992 4.684 0 40 HJAB CCOc1c(Cl)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OC 408785132 YVOWKOQXNAFFIG-CNEDASOKSA-N 418.946 4.909 0 40 HJAB C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)c1ccccc1 408972858 WHFHHNCWFWHTPC-CQSZACIVSA-N 405.325 4.723 0 40 HJAB CC(C)CCC1=NN(C(=O)CSCc2ccccc2Cl)[C@](O)(C(F)(F)F)C1 409180517 YXWBDUNKKBPNKI-QGZVFWFLSA-N 422.900 4.849 0 40 HJAB CCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(C)c1-c1ccc(F)cc1 409194736 LTGBPMWNDRXTDA-ATJXCDBQSA-N 404.894 4.858 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(C(=S)N2CCCCC2)cc1 409235318 OSGMPTYCXQGBSD-UHFFFAOYSA-N 402.947 4.827 0 40 HJAB Cc1nn2cccnc2c1C(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 588462942 HOVOCKJRMQVZMG-UHFFFAOYSA-N 423.929 4.868 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1 591110201 MZZISLCLINAMBX-QHCPKHFHSA-N 416.477 4.564 0 40 HJAB COc1ccc([C@@H](NC(=O)c2cc3c([nH]c4ccccc43)c(=O)s2)C(C)C)cc1 604419258 BDOFPAVRXCLLRP-FQEVSTJZSA-N 406.507 4.879 0 40 HJAB COc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Br)s2)cc1 1441315 MVQXMRKXYRSPEE-CQSZACIVSA-N 415.403 4.964 0 40 HJAB COc1cccc(Oc2coc3cc(OC(=O)c4cccc(OC)c4)ccc3c2=O)c1 1448044 QVSFXYIZCNOPEZ-UHFFFAOYSA-N 418.401 4.822 0 40 HJAB biogenic CSc1nc2ccc(NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)C(C)C)cc2s1 2654337 HFKPELCBDQJTFB-SFHVURJKSA-N 413.568 4.720 0 40 HJAB CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(N(CC)CC)c(C)c3)nc2c1 2787737 CQMKFHCZWCGRTN-UHFFFAOYSA-N 412.559 4.847 0 40 HJAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(Cl)c(C(F)(F)F)c1 3234971 KBWFLSBQQCZVJT-UHFFFAOYSA-N 408.763 4.703 0 40 HJAB O=c1c2ccc(Cl)cc2nc(SC[C@H]2CCCCO2)n1Cc1ccccc1 3285506 MKHGGGSQPAVORJ-QGZVFWFLSA-N 400.931 4.759 0 40 HJAB CCc1ccc(NC(=O)COC(=O)/C(=C/c2ccccc2OC)c2ccccc2)cc1 3338805 OXGSVRZHOBMKSI-HAVVHWLPSA-N 415.489 4.980 0 40 HJAB aggregator CC[C@@H](C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3553600 XHGIGZPJTMQVNI-QGZVFWFLSA-N 400.544 4.627 0 40 HJAB CCc1nc2c3cc(OC)c(OC)cc3nc(SCc3cc(C)ccc3C)n2n1 4050891 FQIJYVJPWHSLPZ-UHFFFAOYSA-N 408.527 4.766 0 40 HJAB COC(=O)C(C(=O)OC)[C@@H](c1ccc(Cl)cc1)[C@H](C)C(=O)c1ccc(C)cc1C 4694043 KXZKTUCOFABAST-HNAYVOBHSA-N 416.901 4.522 0 40 HJAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2C)cc1 5131131 DGIFANSAJDLDBI-UHFFFAOYSA-N 410.543 4.564 0 40 HJAB CSc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 6752792 OZHNGIFRLFWJRW-JOCHJYFZSA-N 417.490 4.843 0 40 HJAB CCN(C(=O)[C@@H](C)Sc1nnc(Nc2ccccc2F)s1)c1ccccc1 6787105 ZBKWYGANVGWWSK-CYBMUJFWSA-N 402.520 4.955 0 40 HJAB Cc1cc2oc(=O)cc(CN3C(=O)NC4(CCCCCCC4)C3=O)c2cc1C(C)C 6787350 VLRDPOMQBIDVEU-UHFFFAOYSA-N 410.514 4.760 0 40 HJAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)C1 6792186 SKGHWSLIELOKTR-QZTJIDSGSA-N 424.566 4.727 0 40 HJAB CCCCn1nnnc1CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 6842969 JZXFLSQRSCCRPE-UHFFFAOYSA-N 417.970 4.793 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 7156875 HZKVNARUPWAUGY-KHCICDEESA-N 420.553 4.662 0 40 HJAB O=C(O)c1cc(Br)c(OCc2ccccc2F)c(Br)c1 7604013 BPMFLPDHGSVYIA-UHFFFAOYSA-N 404.029 4.628 0 40 HJAB COc1ccc(C)cc1NC(=O)c1cc2c(N3CCCC3)nc(SC)nc2s1 7604273 FPLPBVSIAATCIH-UHFFFAOYSA-N 414.556 4.583 0 40 HJAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccccc1Br 7797902 PPZZAMTYWVDUDI-SFHVURJKSA-N 407.739 4.669 0 40 HJAB Cc1c(C(=O)Nc2cc3c(cc2Br)OCCO3)oc2c(F)cccc12 8342797 BVBYZNWCRVHONP-UHFFFAOYSA-N 406.207 4.666 0 40 HJAB CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 8739529 AXWYNPQBPTVNDY-INIZCTEOSA-N 412.223 4.538 0 40 HJAB CCN(CC)C(=O)[C@H](Sc1nnc(NC2CCCCC2)s1)c1ccccc1 9054106 ZHYDFEAPGASPPE-QGZVFWFLSA-N 404.605 4.985 0 40 HJAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Cl)cc1Cl)C[S@](=O)C2 9413712 WKLRXHPOGMLPNO-HHHXNRCGSA-N 420.321 4.502 0 40 HJAB O=C(c1ccco1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 9829691 RKMGGOQBMSQVOR-UHFFFAOYSA-N 414.284 4.894 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2Cl)c(C)c1 10112561 MQRADDSUEXVCJP-HNNXBMFYSA-N 420.962 4.630 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2C)cc1 10368244 UTJVFQRLYONKTH-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@H]3C2=O)cc1 11582423 KCHGDRJDKWKBQG-AABGKKOBSA-N 424.909 4.761 0 40 HJAB Cc1ccc(-c2ccc(CCC(=O)Nc3ccc(N4CCN(C)CC4)cc3)o2)cc1 11615978 KFVHPPFCRFBMMH-UHFFFAOYSA-N 403.526 4.578 0 40 HJAB CCOc1ccccc1C(=O)N1CCN=C1SCc1ccc(Br)cc1 11757676 NFRGXPWKZTXNGF-UHFFFAOYSA-N 419.344 4.593 0 40 HJAB Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)Cc3ccccc3C)cc2)on1 12159040 VNUCFZLSLWKGAO-UHFFFAOYSA-N 412.493 4.583 0 40 HJAB COc1cccc([C@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)c2nccn2C)c1 12507648 DXUVBROHLAQQDU-KRWDZBQOSA-N 405.285 4.647 0 40 HJAB Cc1cc(C(=O)COC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1nccs1 13057550 ZYPLRMVUGYITSO-UHFFFAOYSA-N 420.943 4.722 0 40 HJAB CC[C@@H](C(=O)Nc1ccc2ccccc2c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716144 QMOYANHELVFONU-QFIPXVFZSA-N 410.539 4.640 0 40 HJAB O=C(CN(Cc1ccco1)C(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1 14185651 RCAOPDQRVPFMJL-UHFFFAOYSA-N 417.292 4.796 0 40 HJAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)noc2n1 19568692 UOKJAVQNGPPNKS-CQSZACIVSA-N 421.394 4.638 0 40 HJAB CC(C)NC(=O)c1cc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)nc2ccccc12 19761778 PLIHVVFHPWGZPB-LJQANCHMSA-N 407.558 4.659 0 40 HJAB Cc1cc(Br)c2nc(NC(=O)C(C)(C)Br)sc2c1C 20133138 OQFDQYQQDIDFJH-UHFFFAOYSA-N 406.143 4.788 0 40 HJAB O=C(c1ccc(Cl)o1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 21409009 LJCJYBYAOPBEMH-UHFFFAOYSA-N 416.855 4.759 0 40 HJAB COc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C 27740833 DUSGFXAIFCFGGB-CQSZACIVSA-N 415.877 4.730 0 40 HJAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc2[nH]c3c(c2c1)CCCCC3 32818039 PFFMXDIEXHRMLP-UHFFFAOYSA-N 415.537 4.603 0 40 HJAB O=C(COc1cccc(-c2noc(-c3ccccc3F)n2)c1)Nc1ccc(F)cc1 33327355 GJMHJLCPYSURLR-UHFFFAOYSA-N 407.376 4.699 0 40 HJAB Cc1nnc(CSc2nc3cc(Cl)ccc3c(=O)n2-c2ccc(Cl)cc2)o1 35714018 FNSHBVCCRIYPTK-UHFFFAOYSA-N 419.293 4.676 0 40 HJAB O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)[C@H]1CS[C@@H]2c3ccccc3C(=O)N12 36569587 RMYATVOSYYIBBE-RHSMWYFYSA-N 412.820 4.567 0 40 HJAB CC[C@H](NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1)c1ccc(OC)c(OC)c1 44856871 IEYUBCLSROTVNP-AVRDEDQJSA-N 410.558 4.817 0 40 HJAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(OC)cc1 44936310 AAXQQIAIYMIVPC-JOCHJYFZSA-N 400.950 4.828 0 40 HJAB Cc1ccc(-c2csc3nc(CN4CCC[C@H]4c4cccn4C)[nH]c(=O)c23)s1 57292113 AGKXGVQDRHKCCJ-INIZCTEOSA-N 410.568 4.697 0 40 HJAB CCn1cc(-c2nc(-c3ccccc3Br)no2)c(=O)c2cc(F)ccc21 64961042 ATLAHFKTLJFWKQ-UHFFFAOYSA-N 414.234 4.640 0 40 HJAB Cc1nc(CC(=O)N2c3ccccc3N(C(=O)OC(C)(C)C)CC2(C)C)cs1 72310515 MEIBXIUCUZWQEB-UHFFFAOYSA-N 401.532 4.561 0 40 HJAB Cc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(-c4ccccn4)cc2)C3)cc1 96269343 CIJLCXIVYLGORU-QHCPKHFHSA-N 410.521 4.609 0 40 HJAB biogenic,in-vitro CCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1 98212665 OPYHSKMFACHXCB-UHFFFAOYSA-N 424.932 4.528 0 40 HJAB COc1ccc(C2(O)C[C@@H]3CC[C@@H](C2)N3Cc2c(C(C)(C)C)[nH]c3ncccc23)cc1 100736513 LQNOUHLSVPDEEH-OALUTQOASA-N 419.569 4.884 0 40 HJAB COc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3nc(C)nn32)cc1OC 102703398 NPVVZUYMCFCMLG-SBUREZEXSA-N 416.481 4.669 0 40 HJAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1Br 103718996 WVHHQRSEWBSYIF-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB CC(=O)OCC[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118928587 SVJXBKQKUHYDPQ-WMTMLEDQSA-N 418.574 4.565 0 40 HJAB CN(CCCC(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 219708468 DVXWROUCNDMAPX-UHFFFAOYSA-N 424.522 4.518 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1Cc1cccnc1 223479039 IAOUANPFGWBBIE-FCHUYYIVSA-N 403.555 4.566 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 223794676 IWYNDFAPCMTOKK-NRFANRHFSA-N 418.940 4.745 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(C(C)C)cc2)cc1 223884479 PAQZXGYARVBABH-JCMHNJIXSA-N 404.466 4.821 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(C)c(C)c1 223928843 YDYHWFWJNMPFQD-HSZRJFAPSA-N 422.550 4.985 0 40 HJAB COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C 224232963 VOEOFYZLWQLEGG-PKTZIBPZSA-N 420.582 4.632 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 224283931 HIXAQCXRWFDERD-QFIPXVFZSA-N 412.961 4.749 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccc(C)c(C)c1 224291942 FESBKCFWUDQYNX-UHFFFAOYSA-N 419.477 4.915 0 40 HJAB CCCC[C@@H](CC)CNC(=O)CCCN(c1ccc(C(C)C)cc1)S(C)(=O)=O 224664489 SBRVZAZHGKUPSU-LJQANCHMSA-N 410.624 4.689 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225000575 OSMNBUQXOSSBCK-VQTJNVASSA-N 410.558 4.521 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)[nH]1 225035611 JADSDPAUJFZACN-VXKWHMMOSA-N 405.571 4.501 0 40 HJAB COC(=O)c1cc(NC(=S)NCCCSc2ccc(C)cc2)ccc1Cl 225588068 VIUWEUOUAUQJRU-UHFFFAOYSA-N 408.976 4.904 0 40 HJAB CC(C)CSc1nnc(NC(=O)c2ccc(CN3CCCCCC3)cc2)s1 225622905 YLVVYZHCVXFGKS-UHFFFAOYSA-N 404.605 4.915 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)c2nc(NN)sc2c1 226313733 ZRSYCDUMLKWCET-UHFFFAOYSA-N 411.314 4.685 0 40 HJAB CCc1onc(C)c1C(=O)N1CCCC[C@@H]1c1nnc(-c2nccc3ccccc23)o1 257332964 XZLXCCVACQUPFL-QGZVFWFLSA-N 417.469 4.511 0 40 HJAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3OC)o2)c1 257338537 YXWWHKCEINHTHL-JOCHJYFZSA-N 420.509 4.579 0 40 HJAB CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(OC)cc1 408558302 SUMKAOBNFNTYIK-UHFFFAOYSA-N 406.482 4.724 0 40 HJAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408583654 JEXQBTVRZQENGH-UHFFFAOYSA-N 416.330 4.572 0 40 HJAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc2ccccc12 408704836 UCTLFBNXXYFAHV-UHFFFAOYSA-N 416.502 4.921 0 40 HJAB COCCN1C(=O)S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O 409145697 RHLVSVZISNHSDK-YBEGLDIGSA-N 422.300 4.700 0 40 HJAB COC(=O)c1ccc(Cn2cc(/C=C3\SC(=O)N(C(C)C)C3=O)c3ccccc32)o1 409390637 GIVVGWYAVKJHDH-GRSHGNNSSA-N 424.478 4.514 0 40 HJAB COc1ccc2ccccc2c1CCC(=O)NCc1nccnc1-c1cccs1 575619334 DJMPJBRFWVGCGY-UHFFFAOYSA-N 403.507 4.616 0 40 HJAB O=C1CCc2cc(NC(=O)NC[C@H]3CC4c5ccccc5C3c3ccccc34)ccc2N1 642491213 LZCPSKQXDQGBGK-ZFAMYZPZSA-N 423.516 4.990 0 40 HJAB COc1cccc(OC)c1NC(=O)c1cc(C(C)(C)C)nn1Cc1ccc(F)cc1 2037846177 UBQFFRCPZQWYFO-UHFFFAOYSA-N 411.477 4.638 0 40 HJAB COc1ccc(OCC(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1 702340 SMERBFLNQFGIFQ-UHFFFAOYSA-N 421.931 4.510 0 40 HJAB CCn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccc(C)cc1 908223 VFJUKUGPHFIMIO-UHFFFAOYSA-N 415.950 4.603 0 40 HJAB COc1cc(C=O)ccc1OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 1177622 BXBMHJCXVYKISP-FYWRMAATSA-N 424.456 4.979 0 40 HJAB COc1cc(-c2nc3sc(C(C)=O)c(N)c3c3c2CCCC3)cc(OC)c1OC 1472101 LMKJRTQUKYTAHJ-UHFFFAOYSA-N 412.511 4.653 0 40 HJAB Cc1ccccc1-c1nc2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2n1 2388425 MRDHUOSGSUYTHV-UNOMPAQXSA-N 419.893 4.588 0 40 HJAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c1C 3317987 KNNDETWWQGNLPU-QGZVFWFLSA-N 415.505 4.689 0 40 HJAB Cc1cccc(OCCCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 3329368 JMVNWZRWSCPJCL-UHFFFAOYSA-N 404.514 4.778 0 40 HJAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)c2ccco2)cc1 4240737 ZGWKPRXJSFCNQS-JOCHJYFZSA-N 406.482 4.624 0 40 HJAB Cc1[nH]c(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)nc1Cc1ccccc1 4485581 LUDSNEQOTQRPGV-GFCCVEGCSA-N 405.445 4.846 0 40 HJAB CC(=O)Nc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1 4718883 RATQGECRWVCDBX-HZHRSRAPSA-N 412.445 4.569 0 40 HJAB Cc1ccccc1C(=O)n1nc(-c2cccnc2)nc1NCc1ccc(Cl)cc1 4816436 FRINLPIUQKABFT-UHFFFAOYSA-N 403.873 4.603 0 40 HJAB COc1cccc2cc(C(=O)N(Cc3ccccc3)Cc3cccc(F)c3)c(=O)oc12 4936100 HYAOKTBIGABYAT-UHFFFAOYSA-N 417.436 4.783 0 40 HJAB COc1cc(NC(=O)c2cc(Cl)ccc2OC)ccc1NC(=O)c1cccs1 5015999 IUPDQRNSQFJXRM-UHFFFAOYSA-N 416.886 4.923 0 40 HJAB COc1ccc(CNC(=O)COc2ccc(-c3ccccc3)cc2Cl)cc1OC 5365977 BPPHCUZXUSRWQC-UHFFFAOYSA-N 411.885 4.719 0 40 HJAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3c(Cl)cccc3Cl)n2)cc1 6154707 FDIPYNSGFLLUGA-UHFFFAOYSA-N 409.298 4.518 0 40 HJAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N[C@@H](C)CCc3ccccc3)n2)cc1 6214799 YMSQJZPUWYNOPB-IRXDYDNUSA-N 408.571 4.652 0 40 HJAB CC1CCN(c2ccccc2NC(=O)c2ccccc2I)CC1 6417464 CSRJOAFOGRNKIY-UHFFFAOYSA-N 420.294 4.780 0 40 HJAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc(N2CCCC2)cc1 7205988 UGVUOUXEDHZDRX-UHFFFAOYSA-N 411.556 4.613 0 40 HJAB O=C(CSc1ccc2c(c1)OCCO2)c1ccc(NC(=O)c2ccccc2)cc1 7393289 IZSOQCCLFJRRFL-UHFFFAOYSA-N 405.475 4.685 0 40 HJAB COc1ccc(-c2nc(-c3ccc(CC[C@@H](C)NC(C)=O)cc3)cs2)cc1OC 7785510 UMLZMWJWDGJNTJ-OAHLLOKOSA-N 410.539 4.952 0 40 HJAB COc1ccc(NC(C)=O)cc1NC(=O)CN[C@H](c1ccc(C(C)C)cc1)C(C)C 7804754 SKIDMQKTPQWHFJ-DEOSSOPVSA-N 411.546 4.702 0 40 HJAB Cc1cc(C)nc(SCc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)n1 7981686 OGIJFRKTNDJBFS-UHFFFAOYSA-N 416.550 4.840 0 40 HJAB O=C(Nc1cc(Cl)ccc1Cl)c1cc2c(cc1Br)OCCO2 8021096 BCWCEXBCRYECPG-UHFFFAOYSA-N 403.059 4.779 0 40 HJAB COc1cc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc(OC)c1 8157024 UXYYUWGBSBMOLG-UHFFFAOYSA-N 419.506 4.929 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 8478438 ODPMTVLPWLPZOG-HNNXBMFYSA-N 407.919 4.863 0 40 HJAB COc1cccc(NC(=O)N(Cc2ccc(C)cc2)c2nnc3n2CCCCC3)c1 8550068 DZOFTZNECYJNMV-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB O=C(COc1ccccc1)NC(=S)Nc1nc(-c2cccc3ccccc23)cs1 9360969 FHFNMESDRSDLPH-UHFFFAOYSA-N 419.531 4.855 0 40 HJAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1 9697143 FOYMSVBISWSRGX-UHFFFAOYSA-N 419.550 4.939 0 40 HJAB COc1ccc(OC)c(Nc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)c1 10253833 MMRRZRFBKZSZJF-UHFFFAOYSA-N 416.268 4.883 0 40 HJAB Cn1ccc(N[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)n1 10751760 LHGXOJUJNUAHEA-QGZVFWFLSA-N 408.811 4.884 0 40 HJAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 12588011 GFGYSZAHIOYNMX-UYAOXDASSA-N 408.523 4.831 0 40 HJAB C[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 12785791 COIVFQAXEVUIRM-CYBMUJFWSA-N 401.293 4.754 0 40 HJAB CC(C)c1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)c2cnn(C(C)C)c2n1 12805994 VIIZZNQVBJVQTE-UHFFFAOYSA-N 405.502 4.515 0 40 HJAB CCCCn1c(-c2ccc(OCC(=O)O)c(OC)c2)nc2cc(C(F)(F)F)ccc21 12810327 IMPRWZGRMAKJPR-UHFFFAOYSA-N 422.403 4.994 0 40 HJAB C[C@@H](NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O)c1ccccc1Cl 12856305 ITNXFVDOMXGIIC-CQSZACIVSA-N 423.925 4.656 0 40 HJAB CC(=O)N[C@@H](C)c1ccc(C2=NN=C(Nc3cccc(Cl)c3C)SC2)cc1 13007075 XGNAKOBDVJVJBP-ZDUSSCGKSA-N 400.935 4.765 0 40 HJAB CCOC(=O)c1cccc(NC(=O)CSCc2ccccc2Br)c1C 13646451 YRIPLYKGDMTGSO-UHFFFAOYSA-N 422.344 4.806 0 40 HJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(I)cc1 13689118 JEXDCVVCUDNDSH-ZDUSSCGKSA-N 417.246 4.850 0 40 HJAB CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(Br)c1 15223077 VMMLJPJDCLJVCW-GOSISDBHSA-N 419.319 4.729 0 40 HJAB O=C(CCC(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1 15350789 RSWDHLARHANRFB-UHFFFAOYSA-N 411.093 4.813 0 40 HJAB O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1)c1cccs1 16309167 RSXOUQKCWQPMFA-IBGZPJMESA-N 416.506 4.854 0 40 HJAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18010474 KHHCYVQXMCAFRN-VSKRKVRLSA-N 418.880 4.700 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(F)c1 19400644 OTUMIUCTZRIJTC-GBXCKJPGSA-N 421.491 4.743 0 40 HJAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 19694686 NGZVEQXIFMTXRW-IBGZPJMESA-N 420.944 4.883 0 40 HJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccccc1Cl 21580808 FSWTYRUIUATGJL-UHFFFAOYSA-N 407.857 4.909 0 40 HJAB CCc1ccccc1N(C(C)=O)c1nc(CSc2nnc(CSC)o2)cs1 29917554 KRBINLBSMVFBLQ-UHFFFAOYSA-N 420.585 4.928 0 40 HJAB C[C@@H](C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1)n1cccn1 32832800 GUYBAFOJPPMNLJ-LBPRGKRZSA-N 403.269 4.642 0 40 HJAB Cc1ccc(C)c(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)c1 33089188 WZCODEDAECDRNJ-CYBMUJFWSA-N 411.299 4.750 0 40 HJAB COc1ccc(C)cc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 38849460 YFCKDAXPWZBYAR-UHFFFAOYSA-N 417.347 4.617 0 40 HJAB O=C1C(=O)N(Cc2ccccc2OCc2ccccc2)c2ccc(Br)cc21 39842033 AVPNQKWGPXGFGK-UHFFFAOYSA-N 422.278 4.758 0 40 HJAB O=C(Nc1cccc2ncccc12)c1nc(NCCc2ccccc2)ncc1Cl 40129428 HKGVKNFKCFTQLB-UHFFFAOYSA-N 403.873 4.585 0 40 HJAB CC(C)OCCCN1C(=O)c2c(oc3ccccc3c2=O)[C@@H]1c1ccc(Cl)cc1 41104997 LLIGJHWESQBFFN-FQEVSTJZSA-N 411.885 4.807 0 40 HJAB CCc1nc(C)c2c(C)c(C(=O)N3CCC(Nc4ccc(F)cc4)CC3)sc2n1 63584664 PAUMAMDMKXMTIG-UHFFFAOYSA-N 412.534 4.726 0 40 HJAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 72346099 IYNDRJYDERNJNE-INIZCTEOSA-N 418.463 4.641 0 40 HJAB CC1=C(CC/C(C)=C\CCC2=CC[C@H](C3=CC(=O)O[C@H]3O)O[C@H]2O)C(C)(C)CCC1 80116525 FGJIDQWRRLDGDB-FMOZNZEYSA-N 416.558 4.855 0 40 HJAB in-vitro C[C@H](Sc1ccccc1)C(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 89368722 HZMDTGWOIYZDRO-XNHLSEOASA-N 404.576 4.556 0 40 HJAB O=C(Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)NCC(F)(F)F 89873318 VMFNUHJSIUZASH-UHFFFAOYSA-N 402.203 4.689 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)NCCOc1ccccc1 90593330 GRRPNESRDOBFCH-UHFFFAOYSA-N 401.919 4.650 0 40 HJAB CCN1c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C(=O)N2CCCC[C@@H]21 97944084 QMKYKFMDDWHBPX-LJQANCHMSA-N 401.869 4.524 0 40 HJAB CNc1c(NC(=O)Nc2ccc(Br)c(C)c2)c(=O)oc2ccccc12 101094539 DNPWTYHCKAHAPC-UHFFFAOYSA-N 402.248 4.550 0 40 HJAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2ccco2)C[C@@H](c2ccccc2)C1 102668252 BWJXPGMHBFROEJ-PXAZEXFGSA-N 400.360 4.955 0 40 HJAB COc1ccccc1N(C(C)=O)c1nc(COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cs1 104270816 GWKCRZMAMVFWFZ-YESZJQIVSA-N 414.527 4.706 0 40 HJAB CCc1nc(S/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)O)n[nH]1 213397289 PKKQOQRMBMUXPU-ZROIWOOFSA-N 409.389 4.864 0 40 HJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 219390009 ZQVYTALLUYNYHW-QGZVFWFLSA-N 401.919 4.886 0 40 HJAB Cc1cccc(N(CCCC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)c1C 222627364 DHESQWMFLJVPMB-UHFFFAOYSA-N 410.539 4.642 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 222979536 ADIWTHIVUPDXAX-PMACEKPBSA-N 411.962 4.693 0 40 HJAB CC[C@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 223077800 FLAZDJJUOIFCIE-FQEVSTJZSA-N 422.388 4.899 0 40 HJAB CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 223973754 NJCMADDKBYUABB-UHFFFAOYSA-N 414.914 4.956 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 224241113 CXOYERISPZZGCR-DEOSSOPVSA-N 406.570 4.712 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 224515833 GOXRVPJBPAGUKN-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)N[C@H](C)CC)cc1 225124506 ATNAGHLWQQXLFO-RTWAWAEBSA-N 408.586 4.822 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 225169767 FEQQIBKWZXJWEX-JKSUJKDBSA-N 421.368 4.868 0 40 HJAB COC(=O)c1c(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)sc2c1CCCC2 225287795 NXHJFPMSKREBFL-UHFFFAOYSA-N 423.538 4.527 0 40 HJAB COc1ccc(Br)c(C(=O)NCc2cccnc2-c2ccsc2)c1 225645548 ZHPFTSCIMWPOCJ-UHFFFAOYSA-N 403.301 4.511 0 40 HJAB CCCO[C@@](C)(C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1)C1CC1 225672777 BCCSOHMEODAIIP-XMMPIXPASA-N 402.579 4.721 0 40 HJAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)CSCc1ccc(Cl)cc1F 225679498 OBBMIANGXAJETB-OAHLLOKOSA-N 406.954 4.670 0 40 HJAB Nc1nnc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)o1 226325697 DKRLXIQXEBFQPW-UHFFFAOYSA-N 415.074 4.967 0 40 HJAB CN(CCCc1nc(N2CCC[C@H]2c2ccccc2)ncc1C(=O)O)c1ccccc1 257212458 CDLVKSPUMLTWRI-QHCPKHFHSA-N 416.525 4.585 0 40 HJAB Cc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4cnc(C)cn4)C3)c2)cc1 257257115 KODICGCZQMNFKE-IBGZPJMESA-N 401.514 4.560 0 40 HJAB COc1c(Br)cc(Br)cc1C(=O)Nc1cccc(F)c1 408619316 BBMPTAFUIMXXKL-UHFFFAOYSA-N 403.045 4.612 0 40 HJAB CC(C)[C@@H]1N(C(=O)[C@H]2CC[C@H](C(=O)N3CC4(CCC4)[C@H]3C(C)C)CC2)CC12CCC2 560998010 DHYZBLUNGALTEN-SVRSMAFJSA-N 414.634 4.867 0 40 HJAB Cn1ccc(CN2CCC[C@@H]2c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)n1 585268758 CZGCUYVAPVVXOO-HXUWFJFHSA-N 423.586 4.764 0 40 HJAB Cc1nc(O)c(C(=O)NCc2ccc(Oc3cccc(Cl)c3Cl)cc2)nc1C 1147478264 MYRPUFBTXUXKNR-UHFFFAOYSA-N 418.280 4.828 0 40 HJAB Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 1520238568 GHGOKIAKHZKFPD-OLZOCXBDSA-N 407.342 4.525 0 40 HJAB O=C(c1ccco1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1F)CN2Cc1ccccc1 2037834530 NUAOKALXFWOEDL-MQSCRBSSSA-N 422.475 4.688 0 40 HJAB CCCc1cnc(Nc2cccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)n2)s1 2037836283 XDKVLHJNKCKRKV-INIZCTEOSA-N 404.536 4.543 0 40 HJAB CCc1c2c(nc3sc(C(=O)Nc4cccc(OC)c4)c(N)c13)CC(C)(C)CC2=O 630187 QQZBTBXFAFJAQA-UHFFFAOYSA-N 423.538 4.857 0 40 HJAB 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Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2S[C@H](C)C(N)=O)c(C)c1 3430483 MFNGPYFNIXMBIS-QGZVFWFLSA-N 416.550 4.594 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cccnc1SC)c1ccccc1 3530035 BQPQLQWWIDNGGU-HXUWFJFHSA-N 422.506 4.657 0 40 HJAB CCNC(=O)COC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 3530426 FOQLORUIJKOYBA-UHFFFAOYSA-N 403.887 4.671 0 40 HJAB CCCCNC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc2c1Cl 4181747 ASSQWDNDYFOCDB-UHFFFAOYSA-N 410.827 4.907 0 40 HJAB COP(=O)(OC)C1(O)[C@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 4322183 FVURVDZRDOAWTJ-DLJKNLRQSA-N 401.443 4.663 0 40 HJAB CCOc1ccc(-c2noc(CCCC(=O)Nc3cccc(C)c3C)n2)cc1OC 4488195 XFUMNTHBMNRJPJ-UHFFFAOYSA-N 409.486 4.722 0 40 HJAB COc1cccc([C@H]2OCCN(Cc3ccccc3)C(=O)c3[nH]c4ccccc4c32)c1 4722698 FTGLWTHZSOHOHF-RUZDIDTESA-N 412.489 4.939 0 40 HJAB CC(C)OCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc21 5205182 ZFWUSDBFHINNLC-UHFFFAOYSA-N 414.513 4.536 0 40 HJAB COc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)c1OC 5256125 KCDDCZGVQCNZLR-HXUWFJFHSA-N 411.889 4.796 0 40 HJAB O=C(COc1ccc2ccccc2c1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 6238195 ACGOJCIFGOXGPM-UHFFFAOYSA-N 412.424 4.730 0 40 HJAB CCOC(=O)c1ccc(COC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 6386855 FQCQCYJDRRMYSW-UHFFFAOYSA-N 417.461 4.781 0 40 HJAB O=C([C@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1ccccc1)N1CCCCC1 7617184 QCJVYJSGZUODNU-HXUWFJFHSA-N 419.554 4.521 0 40 HJAB C[C@H](OC(=O)CSc1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 7778327 OGXJICRRQJBJQZ-ZDUSSCGKSA-N 416.499 4.612 0 40 HJAB COc1ccccc1O[C@H](C)C(=O)NCCSCc1ccc(Cl)cc1Cl 8050637 FTTOVUFFEYGVHF-CYBMUJFWSA-N 414.354 4.819 0 40 HJAB CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4)c3)nn12 8071439 ZCKJNTZNTZOHHL-DHZHZOJOSA-N 409.902 4.721 0 40 HJAB O=C(Nc1ccc(Oc2ccc(NC(=O)C3CC3)c(NC(=O)C3CC3)c2)cc1)C1CC1 8189777 NMIHSEJBIVJMGC-UHFFFAOYSA-N 419.481 4.524 0 40 HJAB CSCC[C@@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)c1nc2ccccc2[nH]1 8345408 MANBWNSTKHJLJI-MRXNPFEDSA-N 424.570 4.579 0 40 HJAB O=C(N[C@H]1CCOc2ccccc21)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 8390872 GWHMQVHJSMYGGN-QFIPXVFZSA-N 413.452 4.932 0 40 HJAB CCc1sc2nc(S[C@@H]3CCC(=O)C3)n(Cc3ccc(C)cc3)c(=O)c2c1C 9218474 YEEMXGHJEUDZQW-QGZVFWFLSA-N 412.580 4.899 0 40 HJAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O 9971166 AHUVFHCQDCKXPL-CYBMUJFWSA-N 424.913 4.682 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1C 10112457 UGDZDFSJPDDLKK-GOSISDBHSA-N 420.534 4.696 0 40 HJAB COc1ccc2c(c1)CCCN2C(=O)CN(Cc1cccs1)Cc1cccs1 11469815 BKQVVCMJYMGVSA-UHFFFAOYSA-N 412.580 4.800 0 40 HJAB O=c1/c(=C\c2cccc(Oc3ccc(Cl)cc3)c2)sc2nc3ccccc3n12 11615670 XZEYHRWIMHJBKY-DEDYPNTBSA-N 404.878 4.903 0 40 HJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(Br)cc2)ns1 11914333 RTJLYMGMWAHMFC-SNVBAGLBSA-N 422.279 4.513 0 40 HJAB O=C1Nc2ccc(Cl)cc2[C@]12Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 12130065 MQKRRQAAPHNTSO-UTKZUKDTSA-N 407.882 4.750 0 40 HJAB CC[C@@H](CNC(=O)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1)OC 12231754 MLKJPPHIXXSCIF-IBGZPJMESA-N 417.496 4.512 0 40 HJAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2C)CC1=O 12463068 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CN(C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)C1CCCCC1 30855386 URURDRJYACLPRH-UHFFFAOYSA-N 406.935 4.546 0 40 HJAB Cc1ccnc(-n2cccc2CN(CCCn2ccnc2)Cc2ccc(F)cc2)c1 36740145 NTZNPTXVYBXAHG-UHFFFAOYSA-N 403.505 4.609 0 40 HJAB COc1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)cc1N1CCCCC1=O 36846362 ZZAJROMZNBEDOE-UHFFFAOYSA-N 403.935 4.983 0 40 HJAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1 38753476 XAJAYZRGNOEHOT-JOCHJYFZSA-N 408.523 4.677 0 40 HJAB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 39768747 LNJAMTSDJYNLEB-LFIBNONCSA-N 410.433 4.641 0 40 HJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1C 44841547 NAYNYZGNQTVCMC-LJQANCHMSA-N 402.494 4.639 0 40 HJAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)c(F)c1 57312355 HMKONBFQMNIWTQ-OAHLLOKOSA-N 409.436 4.506 0 40 HJAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccn(Cc2ccccc2)c1=O 58163117 HFBZDIFAKYQSDB-UHFFFAOYSA-N 416.477 4.581 0 40 HJAB CCn1nc(C)c2nc(SCc3cccc(C)c3)n(Cc3ccc(F)cc3)c(=O)c21 64817407 JPHVKTSASCGJJU-UHFFFAOYSA-N 422.529 4.709 0 40 HJAB CCCCOc1ccc(C(=O)NC2(c3nc(-c4cccnc4)no3)CCCCC2)cc1 65257882 KBBJOTHDRIURAE-UHFFFAOYSA-N 420.513 4.900 0 40 HJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(Cl)cc3)oc12 67299045 TYZGJFROSJDSDR-LVWGJNHUSA-N 408.841 4.850 0 40 HJAB O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1cccc(Cl)c1F 67299276 WUYFBMIYKRVBFM-DAFNUICNSA-N 412.804 4.686 0 40 HJAB CC[C@@H](NC(=O)Nc1ccc(F)cc1)c1noc(-c2cccc(Br)c2)n1 72275178 BSJFVRXIWOXZLO-OAHLLOKOSA-N 419.254 4.911 0 40 HJAB CCn1ccnc1CN1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72359139 ONLLJUOVVKTTIK-KRWDZBQOSA-N 415.463 4.758 0 40 HJAB Cn1c(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc(Cl)c1Cl 95389738 MKNDFHVOPGNDIY-UHFFFAOYSA-N 423.687 4.885 0 40 HJAB COc1ccc(SC)c(OC)c1C(=O)Nc1ccc(OC(F)F)c2ncccc12 95468155 ZNURNSCRRWLFDM-UHFFFAOYSA-N 420.437 4.828 0 40 HJAB COc1ccccc1C(=O)N1CCN([C@@H](c2ccccc2)c2cc(C)ccc2C)CC1 96183768 QNSBKAKYRHZJFS-SANMLTNESA-N 414.549 4.859 0 40 HJAB Cc1ccccc1CN(C(=O)CCSc1ccccc1)[C@H](C)C(=O)NC(C)(C)C 222678053 MQNDUTVGRHBJOH-LJQANCHMSA-N 412.599 4.809 0 40 HJAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccccc1Cl 222834688 GNQJTVOOJARIGC-OAHLLOKOSA-N 407.341 4.683 0 40 HJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(N(C)C)cc1 222930133 ATAVJQFNWSSTSC-GOTSBHOMSA-N 419.598 4.567 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 224044956 MNUVILWIQRKSCC-GOSISDBHSA-N 414.977 4.831 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 224167236 HLEVDALLCFPZKG-XMMPIXPASA-N 420.553 4.988 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc(Cl)cc1 224525650 CZFOLVZATZSMFR-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB COC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224947659 WTFIFMFOFLSIAD-CYBMUJFWSA-N 415.287 4.536 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 225054642 LWLUZSBJCMERCP-PMACEKPBSA-N 412.599 4.560 0 40 HJAB CC(C)(C)c1ccccc1O[C@@H](Cc1ccc(I)cc1)C(=O)O 225067963 FQKGIMPLQUDWCT-KRWDZBQOSA-N 424.278 4.663 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCc2ccc(Cl)cc2)c1 225097819 TUBIYPDFNDBTHU-QNGOZBTKSA-N 424.953 4.840 0 40 HJAB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C(F)(F)F 225774428 IUAARTUDGXCVTM-UHFFFAOYSA-N 411.395 4.930 0 40 HJAB Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4scnc4C)o3)CC2)c1 257328374 XFIXXADKOIOQFD-HDJSIYSDSA-N 402.545 4.575 0 40 HJAB Cc1ccccc1C(=O)/N=c1\sc(C)c(-c2ccc(Br)cc2)n1C 409196746 XAZRKZMFNFTXFG-VZCXRCSSSA-N 401.329 4.874 0 40 HJAB CCN1CCN(C(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)CC1 409312129 DAAIWSFOAYQUDT-WQLLKYAWSA-N 415.581 4.761 0 40 HJAB COc1cc(C)ccc1O[C@@H](C)C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 575620827 TTWCKJBBAIXMRX-KRWDZBQOSA-N 405.498 4.609 0 40 HJAB C[C@@H](c1ccccc1)n1cc(NC(=O)Nc2cnn([C@@H](C)c3ccccc3)c2)cn1 1672545637 MONLOECGEAXMSL-ROUUACIJSA-N 400.486 4.942 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 851209 UWBHPQQPEJHRIY-UHFFFAOYSA-N 417.332 4.582 0 40 HJAB CCOc1cc(NC(=O)c2ccccc2C)c(OCC)cc1NC(=O)c1ccco1 1223632 CZNSTRXPMZZVSK-UHFFFAOYSA-N 408.454 4.890 0 40 HJAB CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)Cc1ccccc1 1223671 NECOWEYLJYTALD-UHFFFAOYSA-N 424.522 4.979 0 40 HJAB CC(C)(C)C(=O)COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 2138521 FIQNTWVCEOYJMR-UHFFFAOYSA-N 404.418 4.560 0 40 HJAB biogenic CC(C)(C)OC(=O)NCCc1nnc(SCc2ccc(Cl)c(Cl)c2)o1 2378655 WOAWWMQEDRAQPJ-UHFFFAOYSA-N 404.319 4.736 0 40 HJAB CCOc1ccc(-n2c(CSc3ncccn3)nnc2S[C@@H](C)CC)cc1 2706125 QOTRRFYOKNYMPP-AWEZNQCLSA-N 401.561 4.639 0 40 HJAB O=c1c2c(nc(SCc3c(F)cccc3Cl)n1-c1ccccc1)CCS2 2719727 XDHWTECFFYWFHB-UHFFFAOYSA-N 404.919 4.966 0 40 HJAB O=C(O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1cccnc1 3271326 GBCKNRKLHMQKJZ-GOSISDBHSA-N 400.356 4.637 0 40 HJAB O=C(NCCc1c[nH]c2ccccc12)c1cn(-c2ccccc2)nc1-c1ccccc1 3294164 CYCSQKQFTUJKCP-UHFFFAOYSA-N 406.489 4.993 0 40 HJAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1N1CCOCC1 3450737 AXFPMHNPUCJAGC-UHFFFAOYSA-N 415.704 4.501 0 40 HJAB C[C@@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(=O)NC1CCCC1 3513884 YISBBUOKGKMXKK-OAHLLOKOSA-N 406.457 4.645 0 40 HJAB COc1cccc(CNC(=O)Cc2c(C)c3c(cc(C)c4c(C)c(C)oc43)oc2=O)c1 4089854 FTWUGKXTSYXLTH-UHFFFAOYSA-N 419.477 4.640 0 40 HJAB biogenic CCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccccc3)cc12 4735811 SFDOPTNKPVUROQ-UHFFFAOYSA-N 401.484 4.807 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 4846760 GAASDYLUJKPSBR-MRXNPFEDSA-N 405.425 4.665 0 40 HJAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 5094785 QWAQYPGQLGNARW-QPNXVFALSA-N 411.310 4.802 0 40 HJAB Cc1oc2cc(O[C@H](C)C(=O)NCc3ccccc3)ccc2c(=O)c1-c1ccccc1 5498020 CGLAYTZMGQGCSF-GOSISDBHSA-N 413.473 4.852 0 40 HJAB O=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)Nc1cccnc1Cl 5990140 VZZJIISOYDDURH-LJQANCHMSA-N 412.898 4.750 0 40 HJAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(-n2cnc3ccccc32)cc1 8025823 RQQBWXUEZQSQMX-UHFFFAOYSA-N 410.521 4.551 0 40 HJAB CCc1ccc([C@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccs2)cc1 8062285 NUNYGNCJIBEHGW-NRFANRHFSA-N 411.523 4.856 0 40 HJAB COc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1Cl 8343808 GNLYNKWHGIEQMS-UHFFFAOYSA-N 418.884 4.908 0 40 HJAB COC(=O)c1ccc2nc(NC(=O)c3cccc(OCc4ccccc4)c3)sc2c1 8904232 NCUUZJVFDRIWJY-UHFFFAOYSA-N 418.474 4.914 0 40 HJAB CCN(CC)C(=O)C(=O)c1cn(CCOc2cccc3ccccc23)c2ccccc12 9096355 WWEBJEVFUFXEBM-UHFFFAOYSA-N 414.505 4.925 0 40 HJAB COc1cc(/C=C2/SC(=O)N(Cc3ccc4ccccc4c3)C2=O)cc(OC)c1O 9233235 QRSQQAXSKQDGCM-UDWIEESQSA-N 421.474 4.799 0 40 HJAB COc1cccc(-c2nc([C@H]3Nc4ccccc4C(=O)N3C[C@@H]3CCCO3)cs2)c1 9471079 JPKUJHFHQQGRKQ-UWJYYQICSA-N 421.522 4.564 0 40 HJAB COc1ccc2c(=O)c(Oc3ccc(C(=O)NCCc4cccs4)cc3)coc2c1 12442633 ILCVCXOEZBJEFZ-UHFFFAOYSA-N 421.474 4.628 0 40 HJAB biogenic CC[C@@H](C)c1ccccc1NC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1 12568250 CGEPMAGNJAXILZ-QGZVFWFLSA-N 417.575 4.552 0 40 HJAB Cc1ccc(-c2csc3ncn(CCC(=O)N[C@H](C)c4ccccc4)c(=O)c23)cc1 12772485 MHGCYANALJGSTR-QGZVFWFLSA-N 417.534 4.701 0 40 HJAB CCOc1ccc(OCC)c(NC(=O)COc2ccc(C3SCCS3)cc2)c1 12825656 JZWICLBWZCNVMP-UHFFFAOYSA-N 419.568 4.980 0 40 HJAB O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccccc1C(F)(F)F 12926885 IGFHYHPKZHFKMD-UHFFFAOYSA-N 420.431 4.817 0 40 HJAB O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccccc1CN1CCCCC1 13009199 TXOKVYILXVYDQD-UHFFFAOYSA-N 403.526 4.577 0 40 HJAB CCc1ccccc1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583488 YIQNWFQDXCZTOL-UHFFFAOYSA-N 420.534 4.643 0 40 HJAB COc1ccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 14398703 CBHHKBQEFQHMAE-CYBMUJFWSA-N 414.354 4.819 0 40 HJAB CCOc1ccc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)o1 19519883 JFEJIEIMJJVTPS-UHFFFAOYSA-N 407.392 4.593 0 40 HJAB Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)CCCn3nc(C)cc3C)C2)n1 19574060 OMLJLFVEVBVQFL-LJQANCHMSA-N 423.586 4.513 0 40 HJAB O=C(C1CCCC1)N1CCC[C@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 19742774 SIOFKXMRNBWWLU-SFHVURJKSA-N 421.520 4.605 0 40 HJAB Cc1cc(NC(=O)COc2ccc(Br)cc2)ccc1-c1ccc(CO)o1 20144204 IAPKGNLQNKQYOS-UHFFFAOYSA-N 416.271 4.527 0 40 HJAB CCc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)o2)cc1 20197153 XZTSRZLZMSICDR-UHFFFAOYSA-N 417.918 4.616 0 40 HJAB CCc1ccc(NC(=O)c2nnc3c(-c4ccc(F)cc4)c(CC)nn3c2C)cc1 20633764 DPTVRSPRWPMQJK-UHFFFAOYSA-N 403.461 4.616 0 40 HJAB O=C(Nc1ncc(Cc2ccc(Cl)c(C(F)(F)F)c2)s1)C1CCOCC1 22285705 CGHQOWCNYYCDAU-UHFFFAOYSA-N 404.841 4.771 0 40 HJAB c1ccc2c(CN3CCOCC3)c(Oc3ncnc4sc5c(c34)CCC5)ccc2c1 23983442 WMEIOFADSXUBCN-UHFFFAOYSA-N 417.534 4.958 0 40 HJAB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)Nc1cccc2ccccc12 31661979 SEWUPAQKDBOMKR-QFIPXVFZSA-N 409.917 4.688 0 40 HJAB CCCC(=O)c1cn(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)c2ccccc12 35511659 DXHXQSPQAOYSRX-KRWDZBQOSA-N 420.509 4.663 0 40 HJAB Cc1ccc(-c2csc3c(=O)n(CC(=O)Nc4cc(F)ccc4C)cnc23)cc1 38651697 MAOMKKCURHTWRU-UHFFFAOYSA-N 407.470 4.520 0 40 HJAB Cc1nc(CSc2ccccc2C(=O)Nc2cc(Cl)c(N)c(Cl)c2)no1 43623617 HGIHWEOYBUJACF-UHFFFAOYSA-N 409.298 4.812 0 40 HJAB CCOc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 44851435 ZSZCQANPCJXCAD-UHFFFAOYSA-N 414.977 4.700 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)Nc3ccccc3N3CCCCC3)co2)cc1 65605284 RFEUOALIEXLETL-UHFFFAOYSA-N 420.513 4.705 0 40 HJAB O=C(c1cnc2ccc(Cl)cc2c1NCc1ccccc1Cl)N1CCOCC1 67288371 GZZWUNYHIAYIRG-UHFFFAOYSA-N 416.308 4.626 0 40 HJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(F)c3C)oc12 67296003 GFRBSZWFZTUOAS-GFMRDNFCSA-N 409.442 4.830 0 40 HJAB Fc1ccc(NC(=S)Nc2ccc(I)cc2)c(Cl)c1 71761744 IJNIDIZRLCVKNM-UHFFFAOYSA-N 406.651 4.893 0 40 HJAB COc1ccc(CN(C)C(=O)c2cc3ccccc3cc2NC(=O)C(C)C)c(OC)c1 79095451 UXYBCOPHNGPIGN-UHFFFAOYSA-N 420.509 4.724 0 40 HJAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(C(C)C)nn1-c1ccccc1)CC3 79193481 UIUCUNKFLWTKHD-UHFFFAOYSA-N 414.509 4.684 0 40 HJAB biogenic CC[C@@H](C)Sc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c(C)c1 84726692 QUSBHBHISJAHBU-FBVAEJEDSA-N 421.632 4.550 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@H]2C(=O)N1c1ccc(Cl)cc1 102759510 BLRJGWCBCDORJS-HKBOAZHASA-N 422.843 4.530 0 40 HJAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)NC[C@@H]1CCCN1c1nccs1 206779413 ICAZTZBMCVGATB-ZDUSSCGKSA-N 417.884 4.533 0 40 HJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4nccs4)c3C)N21 222675115 FALINYJHFWFHQM-ZYSHUDEJSA-N 409.584 4.925 0 40 HJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2C)o1 222896179 VYTBMNKKJHYXCJ-RTWAWAEBSA-N 421.522 4.731 0 40 HJAB CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223204434 CTTPJOVIBODALL-QHCPKHFHSA-N 412.549 4.728 0 40 HJAB Cc1nc(NC(=S)NCc2ccccc2Cl)c(Cl)cc1Br 223932553 GBNGNZXKBORXQG-UHFFFAOYSA-N 405.148 4.946 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSc1ccc(Cl)cc1 224645428 ZQMYFOMLUATBOK-HNNXBMFYSA-N 422.953 4.513 0 40 HJAB CCOC(=O)c1cc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Cl 224944183 LPGPLROMRJFKTP-UHFFFAOYSA-N 422.717 4.649 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)c1 225170678 KXNAQEYAPUQCSS-HXUWFJFHSA-N 424.560 4.851 0 40 HJAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 225573889 PDGNBCRMSIXDOA-OAHLLOKOSA-N 404.913 4.577 0 40 HJAB COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)Cc3ccccc3C2)cc1Cl 225945635 IHUXASRMUIYLKD-UHFFFAOYSA-N 421.880 4.753 0 40 HJAB CC1(C)[C@H](NC(=O)c2ccc(O)c(F)c2)[C@@]23CCO[C@H](c4ccccc4)[C@H]2C[C@@H]1C3 257339670 ZCSAXUZATRYGQX-NPNWRTNISA-N 409.501 4.844 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(Br)c3)o2)cc1 408600252 XMAHLXPHCUPMCV-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccccc3OC)nc2-c2cccc(C)c2)cc1 408697615 IPNFJYRLZFKZCG-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(CNc3ccccc3C)cc2)cc1 409179044 JOZBWQXLICUIRM-UHFFFAOYSA-N 417.461 4.572 0 40 HJAB CN1CCC2(CC1)C[C@H](NC(=O)c1nc(-c3ccccc3)cs1)c1ccccc1O2 513209540 DHGQJRYFHAPIIW-IBGZPJMESA-N 419.550 4.528 0 40 HJAB Cc1ccc(C(=O)N(CC(=O)NC2CCCCC2)c2ccc(F)c(Cl)c2)s1 1342232 USYFAWGISPFXTP-UHFFFAOYSA-N 408.926 4.945 0 40 HJAB CSc1ccccc1NC(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 2725337 PMHGEJVMPFFRNC-INIZCTEOSA-N 404.797 4.871 0 40 HJAB CN(C(=O)COc1ccc2c(=O)c(Oc3ccccc3)coc2c1)c1ccccc1 3320313 MMUUQMHEUYHWFB-UHFFFAOYSA-N 401.418 4.627 0 40 HJAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)cc1 3410902 SSYLHTSTFYZKRS-UHFFFAOYSA-N 400.478 4.644 0 40 HJAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccc(Br)c1 4033089 GVIVQGZCOIDVOQ-UHFFFAOYSA-N 407.271 4.720 0 40 HJAB C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21 4555235 WVJYHISCQIDKMU-SSOJOUAXSA-N 419.908 4.636 0 40 HJAB COc1ccccc1[C@@H]1C[C@H](c2ccc(C)cc2)N(C(=O)C(C)(C)C)c2ncnn21 4816952 PLCBKNKJQCBAOZ-UXHICEINSA-N 404.514 4.709 0 40 HJAB O=C(O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2ccccc2F)cc1 4928679 HVXOGVNAMZQMGT-QFIPXVFZSA-N 413.408 4.664 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1cccc(Cl)c1 5477856 MOAXSFMLYJSYTM-UHFFFAOYSA-N 416.934 4.666 0 40 HJAB COC(=O)c1ccc(Cn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cc1 5801995 VSWDNIGUSUBBCJ-UHFFFAOYSA-N 410.882 4.613 0 40 HJAB COc1ccc(Br)cc1-c1nc(COC(=O)c2ccccc2)cs1 6065803 YQCLZDLGOGVJRF-UHFFFAOYSA-N 404.285 4.938 0 40 HJAB CC(C)(C)c1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 6153814 DMMFTNGCWHDWLW-UHFFFAOYSA-N 409.555 4.732 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21 6545456 GAESVKTXPKWTNX-RTBURBONSA-N 404.510 4.693 0 40 HJAB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1 6570322 TXHYSFKJZLICTQ-QGZVFWFLSA-N 411.571 4.981 0 40 HJAB Cc1cccn2c(NC(=O)c3cncc(Br)c3)c(-c3ccccc3)nc12 6590673 YULPSOBLYSMXFA-UHFFFAOYSA-N 407.271 4.720 0 40 HJAB COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3C=CC(Cl)=NN32)cc1 7002289 IKVMCIBVEMTSMF-OAQYLSRUSA-N 403.873 4.746 0 40 HJAB Cc1ccc(-c2cc(NC(=O)COC(=O)c3ccccc3)n(-c3ccccc3)n2)cc1 7779792 FUSHEGCOVHJISF-UHFFFAOYSA-N 411.461 4.643 0 40 HJAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc(Cl)c1O 8109180 RVMOBVWAJIFWIM-NVNXTCNLSA-N 410.278 4.944 0 40 HJAB O=C(COc1ccc(NC(=O)c2ccccc2)cc1)N[C@H]1CCCc2ccccc21 8121103 YTDYNBUZVFYDDH-QHCPKHFHSA-N 400.478 4.512 0 40 HJAB CCOc1ccc(N2C(=O)CS[C@]23C(=O)N2c4c(cccc43)[C@H](C)CC2(C)C)cc1 9190000 MCAJWMACMHPGPO-OYLFLEFRSA-N 422.550 4.651 0 40 HJAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 9236560 DBRWHFCZXAVPSK-WOJGMQOQSA-N 403.887 4.984 0 40 HJAB CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900349 LDVWXWKIQDHLDW-NYHFZMIOSA-N 423.944 4.551 0 40 HJAB CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900354 LDVWXWKIQDHLDW-OYHNWAKOSA-N 423.944 4.551 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2Cl)c1C 10112559 FQNUMKHWJYCQDT-AWEZNQCLSA-N 420.962 4.630 0 40 HJAB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11072911 DAVLWRDFILZUFS-HOYKHHGWSA-N 415.537 4.628 0 40 HJAB CC(C)[C@H](NC(=O)CSc1ncccc1Cl)c1ccc2c(c1)OCCCO2 11250543 XLPPUWWMVHCQRY-IBGZPJMESA-N 406.935 4.502 0 40 HJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(Br)cc1 12179248 YCKMFXNOSNDUQJ-UHFFFAOYSA-N 424.707 4.883 0 40 HJAB Cc1ccsc1CN(C[C@@H]1CCCO1)C(=O)C1=C(c2ccccc2)SCCO1 12389420 FOIVDMINPHKPLR-SFHVURJKSA-N 415.580 4.696 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)c1 12676940 LYEDNWNNMCNZDW-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB COc1ccc([C@@H]2CCCN2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)c(OC)c1 12773062 TUDCCDQDTSKGTK-FQEVSTJZSA-N 424.570 4.738 0 40 HJAB COc1ccc2c(c1)CCCN2C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 12856851 ILRMREXEXKSSTJ-UHFFFAOYSA-N 417.440 4.939 0 40 HJAB CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)N(c1ccccc1)C1CCCCC1 13038329 YDIUZWCYERJLRU-UHFFFAOYSA-N 413.949 4.576 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1[C@@H](C)Oc1ccccc1 13850043 BCCXDWHJAIOEDV-CQSZACIVSA-N 416.934 4.822 0 40 HJAB COc1cc(-c2nc3cnccn3c2Nc2ccc(Br)cc2)ccc1O 15414098 ONYMRMIYZXKQHO-UHFFFAOYSA-N 411.259 4.617 0 40 HJAB O=C(Cc1ccccc1)N[C@@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1 19370420 IXGJQJIHJSCVIY-AREMUKBSSA-N 417.528 4.533 0 40 HJAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 20807214 HRBNXKDGOLTHFX-RXVVDRJESA-N 416.993 4.724 0 40 HJAB COc1ccc(-c2cc(NC(=O)COc3ccccc3C)n(-c3ccccc3)n2)cc1 21944909 JZPZUUANVACCCH-UHFFFAOYSA-N 413.477 4.874 0 40 HJAB Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCc4ccccc4C3)c(O)n2n1 23157812 APBNOQZFBIWGQP-GOSISDBHSA-N 410.930 4.606 0 40 HJAB C[C@H](C1CC1)N(C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 25047062 AHRDPABQLIJWJE-CQSZACIVSA-N 419.447 4.627 0 40 HJAB CCCCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 28208493 PHYQVHUORNYKEL-UHFFFAOYSA-N 416.587 4.631 0 40 HJAB O=C(OCc1ccccc1OC(F)F)c1ccc(=O)n(Cc2ccccc2Cl)c1 28462215 GXODDAHPQOVNNV-UHFFFAOYSA-N 419.811 4.508 0 40 HJAB CN(C)C(=O)c1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 32004007 OIMAATOFFJYMOK-UHFFFAOYSA-N 404.310 4.678 0 40 HJAB Cc1ccc(SCCNC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1 32802267 VQNMSJWZXKYULA-IBGZPJMESA-N 414.962 4.563 0 40 HJAB Cc1noc2ncc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)cc12 32905825 RLMWDHJOIBXABM-UHFFFAOYSA-N 404.392 4.793 0 40 HJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](NCCCn1ccnc1)c1ccccc1 34878938 MMGXPTDKVLAJNE-IBGZPJMESA-N 403.313 4.550 0 40 HJAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(OC(C)C)c(OC)c2)cc1 36357107 UYTACBIGITZACQ-GOSISDBHSA-N 407.470 4.800 0 40 HJAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1cc(-c2ccco2)on1 43939698 LYANPXMIUYOEQY-UHFFFAOYSA-N 412.858 4.773 0 40 HJAB CCN1CCN(c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)CC1 57719607 OVFJVFBIQJIMLI-UHFFFAOYSA-N 418.585 4.580 0 40 HJAB CCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2ccc(C(C)=O)cc2)cc1 58202118 ZVVBKLMFBRJNMJ-UHFFFAOYSA-N 420.513 4.609 0 40 HJAB C[C@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 58413382 JRTKFYVZDUTRQE-SNVBAGLBSA-N 418.437 4.836 0 40 HJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccccc3Cl)oc12 67299026 FSMYLZPBYUCUKE-LVWGJNHUSA-N 408.841 4.850 0 40 HJAB COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1C 72398607 SLWQLUZMKVLMLA-QPPBQGQZSA-N 423.601 4.823 0 40 HJAB Cc1ccc2c(CN(Cc3ccccc3)C[C@@H](O)c3ccsc3)cc(=O)oc2c1 84208411 UADYZFACHABWOK-JOCHJYFZSA-N 405.519 4.899 0 40 HJAB Cc1cc(NC(=O)[C@H]2CCCN2c2nc3ccccc3o2)ccc1Br 96122584 SOVSZFSURVSVSD-MRXNPFEDSA-N 400.276 4.506 0 40 HJAB O=C(Nc1ccccc1)N1C[C@@H]2CN(CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 96245598 MBKQVMDLCDLFBL-PSWAGMNNSA-N 411.549 4.914 0 40 HJAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 97117414 OESZVJCUTJOTOW-YADHBBJMSA-N 408.542 4.529 0 40 HJAB Cc1nn(-c2ccccc2)c2c1[C@]1(C)C[C@@](C)(O2)c2c(C)nn(-c3ccccc3)c2O1 100074070 BSONLUOANXJZKZ-PLQXJYEYSA-N 412.493 4.980 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@H]3C2=O)cc1 101074394 CNTPOBMIWIPEHC-FSSWDIPSSA-N 418.880 4.700 0 40 HJAB CC(=O)Nc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 101500603 AMQYHKDJOMZQIJ-HXUWFJFHSA-N 414.465 4.750 0 40 HJAB COc1ccc(CNC(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)cc1OC 206881652 JRYJXNVVZXLEMH-SFHVURJKSA-N 402.922 4.837 0 40 HJAB O=C(COc1ccc(Br)cc1Cl)NCCSC1CCCCC1 218943617 TZYISHHLHMIVMD-UHFFFAOYSA-N 406.773 4.663 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 223096624 SKZKORFBMMHDTP-IBGZPJMESA-N 412.599 4.543 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1NC(=O)C(C)C 223649282 VDZSTAKKYUVNDC-UHFFFAOYSA-N 412.964 4.766 0 40 HJAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1cccc(C)c1 224113485 GWOYJSOQAIVCSG-UHFFFAOYSA-N 404.466 4.793 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3ccccc3F)ccc2C)cc1 224307035 SRJIVQSBQZPDBS-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225023011 UTVFYDYPBUXXHI-FGZHOGPDSA-N 406.530 4.927 0 40 HJAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)NC1CCCCC1 225810861 ROBOEWKONUCXOI-UHFFFAOYSA-N 420.431 4.785 0 40 HJAB CCCCc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3OC)o2)[nH]n1 257237833 HIJUWYJBHPRGKZ-NRFANRHFSA-N 422.529 4.707 0 40 HJAB CCC(=O)N1CCC(Cc2ccc(-c3cccc(C)c3)cc2)(C(=O)NC(C)C)CC1 257263562 LQOBYYWMILOUEH-UHFFFAOYSA-N 406.570 4.748 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408649247 ZRRJIIJYQOVRPK-ZDUSSCGKSA-N 421.722 4.657 0 40 HJAB CCOc1cc(CNc2ccc(CC)cc2)cc(I)c1OC 409121315 WDFMSVSVPCQXQP-UHFFFAOYSA-N 411.283 4.873 0 40 HJAB Cc1cc(NC(=O)N2CCC3(CC2)OCc2ccccc23)cnc1N1CCCC[C@@H]1C 679570544 FQNNKQSIHQXYRI-IBGZPJMESA-N 420.557 4.822 0 40 HJAB CCOC(=O)C[C@H](Cc1ccc(OCc2ccccc2)cc1)NCc1ccccc1 725327750 JFVYMSIOVFPLOB-DEOSSOPVSA-N 403.522 4.920 0 40 HJAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)c3ccc4c(c3)OCCO4)n12 929770 CZURJCHZGUNFPY-UHFFFAOYSA-N 419.506 4.554 0 40 HJAB O=C(C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(-c2ccccc2)cc1 1045419 WOSRFLYPNXNMRY-QFIPXVFZSA-N 422.278 4.529 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccco1)c1cccc(F)c1 1380211 SSBMAPMYPVJAPJ-JOCHJYFZSA-N 406.457 4.866 0 40 HJAB CC(C)C[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br 2065856 BLHDLBZVGKBGJM-GHMZBOCLSA-N 407.146 4.530 0 40 HJAB CSc1nc(NCCO)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 2403563 HISUGTCIQOGISZ-UHFFFAOYSA-N 408.552 4.521 0 40 HJAB COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)c1 2436589 IVPOVJLAGGNUET-FQEVSTJZSA-N 418.836 4.600 0 40 HJAB Cc1nc(SCC(=O)N2CCCc3ccccc32)c2c3c(sc2n1)CCCC3 3268718 WYGLGVIKGFERSE-UHFFFAOYSA-N 409.580 4.950 0 40 HJAB O=C(Nc1nnc(C2CC2)s1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 3456077 VBTSZFLHNLJGOQ-UHFFFAOYSA-N 404.904 4.635 0 40 HJAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1 4119656 OIXHUCANZYWNRR-UHFFFAOYSA-N 407.461 4.823 0 40 HJAB COc1ccc(CCn2c(C)c(C(C)=O)s/c2=N\c2ccccc2C)cc1OC 4614533 YDVBHCMJHHNULY-VHXPQNKSSA-N 410.539 4.861 0 40 HJAB COc1cc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCCO3)ccc1O 4733656 ITOJSSZNFNNLGQ-UHFFFAOYSA-N 403.438 4.539 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 5043614 BSYFURNMUXGBOZ-WRSAYESZSA-N 416.403 4.728 0 40 HJAB COc1cc(OC)cc(C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c1 5108269 KALDDDQXXVPXSK-UHFFFAOYSA-N 416.930 4.762 0 40 HJAB Cc1cccc(NC(=O)CCCSc2nc(N)c3c4c(sc3n2)CCCC4)c1 5689779 KRTUBPNGYIVISS-UHFFFAOYSA-N 412.584 4.972 0 40 HJAB Cc1nc(S[C@H](C)C(=O)N2CCc3ccccc3C2)c2c3c(sc2n1)CCC3 6114048 FADCHJBYXBEPJK-CYBMUJFWSA-N 409.580 4.554 0 40 HJAB COc1ccc2c(c1)C(c1ccc(N(C)C)cc1)=NNC(c1ccc(Cl)cc1)=N2 6135795 YLUFWOIPRMEEGU-UHFFFAOYSA-N 404.901 4.849 0 40 HJAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)Nc1ccccc1F 7789798 CRJVSDOVKWBMFZ-UHFFFAOYSA-N 407.474 4.631 0 40 HJAB COc1ccc(CN(Cc2cccs2)C(=O)c2cnc3ccccc3n2)cc1OC 8037581 YZRFXPHFSLZPFZ-UHFFFAOYSA-N 419.506 4.551 0 40 HJAB O=C(CSCC(=O)Nc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1 8333680 RJQCVAFXLVESAU-UHFFFAOYSA-N 403.718 4.957 0 40 HJAB Cc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1 8550472 KLGZFBNJIAELHF-LJQANCHMSA-N 402.475 4.925 0 40 HJAB C[C@H](C(=O)Nc1cccc2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8709599 AIWFZJWTBLAVSI-VGOFRKELSA-N 402.494 4.775 0 40 HJAB Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 8961344 BNTAHSAGZMIDGN-UHFFFAOYSA-N 408.479 4.603 0 40 HJAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(Br)cc3)n2C)cc1 9054332 QOQAWUVEQTVLLJ-ZDUSSCGKSA-N 416.344 4.917 0 40 HJAB CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1C1CC1 9512811 USSCUIZAOSLBRZ-LLVKDONJSA-N 417.535 4.557 0 40 HJAB Cc1cc(C)cc(Nc2nc(Nc3ccc(C(C)C)cc3)nc(N3CCOCC3)n2)c1 9708895 WAFUDQQCQPPPAX-UHFFFAOYSA-N 418.545 4.936 0 40 HJAB O=C(CSc1ncn(-c2ccccc2)n1)Nc1cc(Cl)c(Cl)cc1Cl 11475015 ICWSKVOBSHLHBI-UHFFFAOYSA-N 413.717 4.958 0 40 HJAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(CC4CCCCC4)CC3)C1)c1cccn1-2 12086170 DYGZFSQCUPICMQ-SANMLTNESA-N 421.585 4.942 0 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DPENESAZKJZSQX-KRWDZBQOSA-N 417.538 4.718 0 40 HJAB O=C(NCCc1ccc(F)cc1)C1(Cc2ccccc2-c2cccnc2)CCOCC1 19348529 CWZCUIUZXQPITF-UHFFFAOYSA-N 418.512 4.586 0 40 HJAB O=C(C[C@@H]1C(=O)N(CCC2=CCCCC2)c2nc3ccccc3n21)Nc1ccccc1 19962045 PEHPQEYCVJNUKN-JOCHJYFZSA-N 414.509 4.843 0 40 HJAB Cc1c(C(=O)N2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)oc2ccccc12 23318316 DIOPTYZVIOQLIM-UHFFFAOYSA-N 410.857 4.780 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1nc(-c2ccccc2)oc1C 23650049 HSUNREGMFIKLAC-UHFFFAOYSA-N 400.482 4.725 0 40 HJAB CC(=O)OC[C@H](OC(C)=O)[C@H](CC(C)C)N(Cc1ccccc1)Cc1ccccc1 26897049 GDIPJTZDCBJZGH-DQEYMECFSA-N 411.542 4.598 0 40 HJAB CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1C 27793261 RIFXUEROGTXUJH-ZDUSSCGKSA-N 401.850 4.503 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)c1 28206857 ZPGRFRXOGDMVCP-GOSISDBHSA-N 420.534 4.696 0 40 HJAB Cn1ccnc1[C@H](NC(=O)NCCCSc1ccccc1)c1ccc(Cl)cc1 29728308 AGHDKDMDCOJLCH-LJQANCHMSA-N 414.962 4.645 0 40 HJAB O=C(Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1cc(F)ccc1F 30121510 XBRRVPMDIOFUKP-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB CCN1CCN(c2ccc(NC(=O)c3cc4ccccc4cc3OC)c(C)c2)CC1 32978532 HFEOMMGPZMKWCJ-UHFFFAOYSA-N 403.526 4.551 0 40 HJAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCO[C@H](c2ccc(F)cc2)C1 33004828 QKCIHKDYTQELNK-QFIPXVFZSA-N 419.500 4.629 0 40 HJAB O=c1/c(=C/c2ccccc2OCc2ccccc2Cl)sc2nc3ccccc3n12 33924243 AQAGZWYPCDKLHT-BKUYFWCQSA-N 418.905 4.689 0 40 HJAB CCCCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 35318915 SEVMONDQWSURJP-OAQYLSRUSA-N 421.497 4.901 0 40 HJAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 36837501 ZZSVRUKSOYPZKI-BBRMVZONSA-N 412.795 4.528 0 40 HJAB COc1ccc(CCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 38848938 BLCXMLKCYBOEMW-UHFFFAOYSA-N 421.368 4.573 0 40 HJAB Cc1cc(NC(=O)CSCc2cn(-c3ccccc3)nc2-c2ccccc2)no1 40067207 WAXHNMKNBCFEOW-UHFFFAOYSA-N 404.495 4.708 0 40 HJAB CCCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccs1 44973555 XHPQOORISJBZGV-HNNXBMFYSA-N 400.573 4.823 0 40 HJAB Cc1cccc(C(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccccc4)c3)cc2)c1 49422253 IJTSCFDHIUJCBG-UHFFFAOYSA-N 410.477 4.744 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccccc2Cl)nc2ccsc2c1=O 57426366 SGJPJKLALNSQFB-UHFFFAOYSA-N 407.948 4.642 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 59133528 XSBRFMSFDXDPBQ-UHFFFAOYSA-N 418.316 4.792 0 40 HJAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(Cc1cccnc1)C[C@H]1CCCO1 59786850 PXRZOJFDKILXRF-CJFMBICVSA-N 416.521 4.724 0 40 HJAB O=C(O)c1cc(Cl)c(NC(=S)NC(=O)c2cc3ccccc3o2)c(Cl)c1 59843156 VHAFEJYHDVMZCQ-UHFFFAOYSA-N 409.250 4.565 0 40 HJAB Cc1ccccc1-n1c(=O)c2sccc2n(Cc2ccccc2C(F)(F)F)c1=O 67258093 OVXFBMPRTILKGG-UHFFFAOYSA-N 416.424 4.589 0 40 HJAB Cc1ccc([C@@H]2C[C@@H](c3cc(Cl)ccc3C(=O)C(F)F)n3ncnc3N2)cc1 72333469 ARQBPDXEKBWBDI-IRXDYDNUSA-N 402.832 4.834 0 40 HJAB COc1ccccc1CCC(=O)N1CCC[C@H]1c1cccc(Nc2nc(C)cs2)n1 72375261 LXBDEVUDUKZOPS-IBGZPJMESA-N 422.554 4.895 0 40 HJAB CC(C)(C)C(=O)Nc1ccc(-c2csc(NC(=O)c3ccn4cncc4c3)n2)cc1 89621339 HVQTUYFMUDISLV-UHFFFAOYSA-N 419.510 4.695 0 40 HJAB CC(=O)Nc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)c(Cl)c1 89962814 HXXMFFCXEPDTDW-UHFFFAOYSA-N 421.928 4.939 0 40 HJAB COc1ccccc1CN1[C@H]2CCC[C@H]1CC(NC(=O)C13CC4CC(CC(C4)C1)C3)C2 100425979 KWPSSTUSOWDMBM-JWWWXHLMSA-N 422.613 4.913 0 40 HJAB CCCCCCOc1ccc(NC(=O)c2c(O)c3ccccc3n(CC)c2=O)cc1 100498380 DVCRCCZDODCBJN-UHFFFAOYSA-N 408.498 4.938 0 40 HJAB COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc(Br)c(C)c1 101084839 KTGKXZMLWBOGBR-BEFAXECRSA-N 403.276 4.536 0 40 HJAB C[C@@H]1[C@@H](CCC(=O)O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 118936257 WEBIGGMMPNOWDP-KQUXVHTRSA-N 404.591 4.884 0 40 HJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccccc1Cl 138829861 KTNONVQXGRIJOF-UHFFFAOYSA-N 417.086 4.860 0 40 HJAB COc1ccc(/C=C2/SC(=O)NC2=O)cc1OCc1ccc(Cl)cc1Cl 214299509 JTZNFUKOMQXGGJ-FRKPEAEDSA-N 410.278 4.905 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 222475592 VZIHECDAGFQCNH-GBXCKJPGSA-N 424.585 4.577 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3Cl)N21 222687357 NKQQZKHJKSDOBJ-QQGDVQBRSA-N 403.935 4.732 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 224346524 YYGZCGZMIZFPHK-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 225089063 WVYMPSHHBNMZEQ-JYBCESJWSA-N 418.493 4.553 0 40 HJAB CCCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OCC)c2)CCC[C@H](C)C1 225854083 UGRGAJDWRVMGCA-SBUREZEXSA-N 405.535 4.965 0 40 HJAB O=C(c1cccc(N2CCCCC2)c1)N1CCC[C@H]1c1ccnc(-c2ccccn2)n1 257285813 PIZOIMKIEYUYCK-QHCPKHFHSA-N 413.525 4.506 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)c1 257341989 ZMQNEJHGWXCWHZ-IBGZPJMESA-N 424.928 4.876 0 40 HJAB CCCCc1nnc(SCC(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)n1C 408560868 PXZCBVDOTUTZMA-UHFFFAOYSA-N 415.588 4.629 0 40 HJAB COc1cccc(C2=N/C(=C\c3ccccc3OC(=O)c3cccc(C)c3)C(=O)O2)c1 409189329 JHRQOETZYXNVNM-QNGOZBTKSA-N 413.429 4.567 0 40 HJAB Cc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)NCC(C)C)cc1C 409209231 IACUYADDCRDUCP-UHFFFAOYSA-N 422.598 4.534 0 40 HJAB C[C@](CNC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1ccc(F)cc1 685939409 VGWFXZCESISYMG-RUZDIDTESA-N 419.452 4.707 0 40 HJAB O=C(C1CCCCC1)N1CCC[C@@H](c2cccc(-c3cnc4ccc(F)cn34)n2)C1 2037845578 CWQJIXLZAOCOKH-GOSISDBHSA-N 406.505 4.822 0 40 HJAB O=C(NCc1cccs1)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F 866041 BMVFJJVQORPHOM-JKSUJKDBSA-N 424.423 4.674 0 40 HJAB CCOC(=O)CSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1 892208 UBZSZACELJGTFF-UHFFFAOYSA-N 419.506 4.655 0 40 HJAB COc1cc2cc([C@H]3CC(c4ccccc4)=NN3C(C)=O)c(Cl)nc2cc1OC 1241075 NATFNDYXTFWVGX-LJQANCHMSA-N 409.873 4.603 0 40 HJAB CCCCc1nc2sc3c(SCCO)nc(SC)nc3c2c2c1CCC2 2198941 CODQRVSGHJOPQR-UHFFFAOYSA-N 405.614 4.877 0 40 HJAB CCN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1 3222249 JFYGDDSJGDEFCI-UHFFFAOYSA-N 404.495 4.673 0 40 HJAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(Oc2ccccc2)cc1 3266773 GWPRJPCSBNLLOQ-UHFFFAOYSA-N 400.434 4.685 0 40 HJAB CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3cccc(Cl)c3)N2C1=O 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FFMYYWLQXFSMOQ-UHFFFAOYSA-N 418.946 4.528 0 40 HJAB Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3cccc(Cl)c3Cl)c(=O)c12 7424045 DNTJNEDKFIFFFO-UHFFFAOYSA-N 413.264 4.581 0 40 HJAB CCc1ccccc1N1C[C@@H](C(=O)Nc2cc(C)c(Br)cc2C)CC1=O 7881974 CTKSLBMVIZSOPQ-INIZCTEOSA-N 415.331 4.620 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1[C@@H](C)Oc1ccccc1 8090213 LZQGZNPKUNXXKY-QGZVFWFLSA-N 410.543 4.786 0 40 HJAB COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8229677 AXUPUFWNBWZOAS-MRXNPFEDSA-N 418.522 4.510 0 40 HJAB Cc1nc(NC(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)sc1C 8389521 QVQNEFCOBCFRQN-UHFFFAOYSA-N 419.551 4.544 0 40 HJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCC[C@@H]1c1nc2ccccc2s1 9446804 UMBOMLPYTAHMLS-QGZVFWFLSA-N 422.485 4.782 0 40 HJAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1c(F)cccc1Br 9720969 ICCYFCFVFNNOKB-UHFFFAOYSA-N 422.273 4.849 0 40 HJAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 11083828 NRFHEJMQTUKXHO-UHFFFAOYSA-N 402.523 4.636 0 40 HJAB Cc1cc(C)c2nc(NC(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)sc2c1 11916008 NFCGNMHHZGISGG-UHFFFAOYSA-N 407.451 4.592 0 40 HJAB CCCCN1C(=O)COc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc21 12167735 GXZQVTCWONRRIF-UHFFFAOYSA-N 414.505 4.983 0 40 HJAB CCCC(=O)N1CCC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 12242084 KYOHNLHTNSMZQE-ZDUSSCGKSA-N 422.476 4.983 0 40 HJAB Cc1ccsc1CN(C[C@H]1CCCO1)C(=O)C1=C(c2ccccc2)SCCO1 12389421 FOIVDMINPHKPLR-GOSISDBHSA-N 415.580 4.696 0 40 HJAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 12767889 RWHWRNLLSQMKOZ-SOGBHIHOSA-N 403.309 4.884 0 40 HJAB CCOc1ccc(CN(C)[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1 12780850 OBUIMZKEMYIYMS-CQSZACIVSA-N 409.511 4.836 0 40 HJAB CCc1noc(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 12897852 NPJSNUGLGHIEGP-UHFFFAOYSA-N 407.905 4.770 0 40 HJAB O=C(CCn1cnc2scc(-c3ccccc3)c2c1=O)Nc1cccc(Cl)c1 12925145 VRMHQKXXIISORA-UHFFFAOYSA-N 409.898 4.807 0 40 HJAB CC[C@@H](C(=O)Nc1cccc2ccccc12)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714174 OPLPHDMPAZJOFQ-FQEVSTJZSA-N 416.930 4.677 0 40 HJAB COc1ccccc1[C@@H]1CC(=O)c2cnc3c(-c4ccc(F)cc4)c(C)nn3c2C1 14163797 LJNHVTXTFZHFRT-INIZCTEOSA-N 401.441 4.765 0 40 HJAB O[C@H](COc1cccc(Br)c1)CN(Cc1ccco1)Cc1cccs1 14238186 KEUWWMPPVFXOSW-INIZCTEOSA-N 422.344 4.546 0 40 HJAB CCOC(=O)c1sc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)nc1C 14865744 SFEWRIVUUTZVIG-UHFFFAOYSA-N 400.481 4.501 0 40 HJAB COc1ccc(CCn2c(C)c(C(C)=O)s/c2=N\c2ccc(C)cc2)cc1OC 15277049 LHBDCUMRTZPLHT-VHXPQNKSSA-N 410.539 4.861 0 40 HJAB CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 17091345 VWOJWJTYPWJZHS-UHFFFAOYSA-N 418.316 4.726 0 40 HJAB CCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 17092062 XMVFSEXJHKZOGL-UHFFFAOYSA-N 419.978 4.883 0 40 HJAB Cc1nn(C)cc1CN1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 19694312 RAEJGAAWBANBCX-OAQYLSRUSA-N 424.980 4.632 0 40 HJAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 19694688 OURSWDSSFPCCQZ-IBGZPJMESA-N 420.944 4.883 0 40 HJAB O=C(NC(=S)Nc1cc(C(=O)O)c(Cl)cc1Cl)c1cc2ccccc2o1 20152370 GGSJVOKPEGSLRJ-UHFFFAOYSA-N 409.250 4.565 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3ccc(C)c(C)c3)nnc2c1-c1ccc(OC)cc1 20672950 WNTYALPWDWWQEX-UHFFFAOYSA-N 415.497 4.540 0 40 HJAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 23663238 CPNITCXYCUPMDK-YLJYHZDGSA-N 419.550 4.941 0 40 HJAB CCOc1ccc(-c2cc(C(=O)Nc3ccnn3Cc3ccc(C)cc3)no2)cc1 32593746 ITVMGZCDSMBNGC-UHFFFAOYSA-N 402.454 4.546 0 40 HJAB CCSCn1nnc(-c2ccc(OC)cc2)c1C(=O)Nc1cccc(Cl)c1 32611864 KMEDOSZVLHFPOA-UHFFFAOYSA-N 402.907 4.570 0 40 HJAB CN(Cc1ccccc1NC(=O)CN1C(=O)CSc2ccccc21)C1CCCCC1 32894177 OGFJSKYTCZRWOJ-UHFFFAOYSA-N 423.582 4.529 0 40 HJAB Cn1c(CNC(=O)c2cc3occc3n2Cc2ccc(Cl)cc2)nc2ccccc21 36356969 GEBZBLVKVBGHSI-UHFFFAOYSA-N 418.884 4.753 0 40 HJAB CCN(C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]21)C[C@](C)(O)c1ccccc1 36603475 JTMYRQKZNPTWKI-HMGRNXHXSA-N 411.586 4.674 0 40 HJAB CCn1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3c(-c4ccccc4)noc3n2)n1 36618477 DBZSMPMWWUYYIF-MRXNPFEDSA-N 415.497 4.788 0 40 HJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccc(N(C)C)cc3)ccc1O2 38708550 DJFJOXVOZRQFOL-UHFFFAOYSA-N 401.466 4.696 0 40 HJAB CCn1c(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)nc2ccccc21 49207733 BHLNKMHKWXLBLE-UHFFFAOYSA-N 401.466 4.969 0 40 HJAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)cc1Cl 67293392 BFRZBKQDASJRKC-LVWGJNHUSA-N 405.841 4.980 0 40 HJAB C[C@@H]1C[C@@H](OC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)C(=O)O1 72274739 NRAUGSZLFSDERV-KZULUSFZSA-N 400.427 4.725 0 40 HJAB COc1ccc(Cl)cc1C(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200123 MPWVUKVFPAIHQI-SJORKVTESA-N 402.878 4.638 0 40 HJAB O=C(Nc1c(F)cc(Cl)cc1Cl)C1CCN(C(=O)CCc2ccccc2)CC1 95452375 UWSZIIZXGGNRJA-UHFFFAOYSA-N 423.315 4.942 0 40 HJAB COc1cccc(C(=O)N2CCN([C@@H](c3ccccc3)c3cc(C)ccc3C)CC2)c1 96183763 SNPAQVIDBASWPK-SANMLTNESA-N 414.549 4.859 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 222475513 VZIHECDAGFQCNH-HYBUGGRVSA-N 424.585 4.577 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 223028212 MRCQWANKUZHVNG-JOCHJYFZSA-N 424.585 4.796 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 223405518 DITYYPWTCBUVLW-FQEVSTJZSA-N 416.562 4.640 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 224653841 CLOHFZVLNSIBSP-XMMPIXPASA-N 424.585 4.734 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 225526640 OJFZGOQRKPMUSG-ZJSXRUAMSA-N 408.586 4.876 0 40 HJAB O=C(NCCCN1CCCCCC1)c1cccc(OCc2ccccc2Cl)c1 225777899 LIUNLSKOYQGTHY-UHFFFAOYSA-N 400.950 4.915 0 40 HJAB CCCCCCOc1ccc(OS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1 226856230 FPPVFIOQARDJGM-UHFFFAOYSA-N 412.891 4.765 0 40 HJAB Cc1ccccc1NC(=O)[C@@H](C)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257246206 ITBRWKUJMFYETQ-LJQANCHMSA-N 415.541 4.735 0 40 HJAB CC[C@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 408653944 FSMLEQAEXOSLIM-GJZGRUSLSA-N 416.315 4.921 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1Cl 409176625 SXOMNWNFBOBMKZ-LZYBPNLTSA-N 421.305 4.977 0 40 HJAB Cc1s/c(=N\C(=O)c2ccccc2Br)n(C)c1-c1ccc(F)cc1 409207723 YGESSXJYLPNLHT-UZYVYHOESA-N 405.292 4.705 0 40 HJAB COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc(C)c(C)c4)n3C)oc12 409329780 IFSCXHKKBDMWIT-UHFFFAOYSA-N 422.510 4.585 0 40 HJAB O=C(NCc1cccs1)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 674419 YLYOLGJBIXUJEP-GXTWGEPZSA-N 412.462 4.596 0 40 HJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 676994 BDKUUZDXKHDORJ-UHFFFAOYSA-N 414.914 4.808 0 40 HJAB CC(C)COC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)OCC(C)C 822361 RKFQXNUDFLXOKP-SNDHGLFQSA-N 406.522 4.908 0 40 HJAB CCOc1cccc(OCC)c1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1 902728 QRNBDARRCQUITR-UHFFFAOYSA-N 413.499 4.573 0 40 HJAB CCN(C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1 2633972 QQLZCJBHMCOMFT-UHFFFAOYSA-N 400.434 4.705 0 40 HJAB COCCn1c(C)cc(C(=O)COc2ncnc3scc(-c4ccccc4)c23)c1C 2648018 RHAIAFGNOAXZJT-UHFFFAOYSA-N 421.522 4.685 0 40 HJAB COC(=O)c1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1Cl 2779847 MDKMBVVAGSKQMB-UHFFFAOYSA-N 403.059 4.795 0 40 HJAB O=c1c2ccccc2nc(SCc2ccccc2F)n1Cc1ccc2c(c1)OCO2 2970042 CSIYJQPANOZPSO-UHFFFAOYSA-N 420.465 4.605 0 40 HJAB O=C(COC(=O)c1cccc2ccccc12)NCCc1ccc(Cl)cc1Cl 3338249 KGNRRXJOJWYVGY-UHFFFAOYSA-N 402.277 4.662 0 40 HJAB COc1ccc(OC)c(/C=C/C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1 3356515 YCBIPBHSJCVVOA-SDNWHVSQSA-N 405.498 4.839 0 40 HJAB Cc1sc2nc(CN3CCCC3)nc(Oc3ccc(-c4nnco4)cc3)c2c1C 3357655 ZYSFIZFMTLBMSQ-UHFFFAOYSA-N 407.499 4.746 0 40 HJAB CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 3652694 SHONPDCTZWXGQG-NWRYFCBHSA-N 400.862 4.623 0 40 HJAB Cc1cccc(Nc2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)s2)c1 4838450 QAWZCZCQNZWHEV-UHFFFAOYSA-N 414.600 4.767 0 40 HJAB Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)cc1 4865389 FUBOGCJYAYRPCO-UHFFFAOYSA-N 406.916 4.763 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccccc2)c(C)c1 5017222 FQCDQXDPOYXXQI-UHFFFAOYSA-N 418.522 4.660 0 40 HJAB Cc1ccc2c(c1)C(=O)O[C@H](C(=O)Nc1ncc(Cc3ccc(C(C)C)cc3)s1)C2 5032208 FHNSWDYLIGJIBB-NRFANRHFSA-N 420.534 4.886 0 40 HJAB COc1ccc(-c2cn3c(CC(=O)NCc4ccc(Cl)cc4)csc3n2)cc1 5146879 VHHVQDDSJXMSIU-UHFFFAOYSA-N 411.914 4.584 0 40 HJAB Clc1cccc(-c2nnc3n2N=C(c2ccccc2Br)CS3)c1 5529540 NPNYJGFTHVWRNT-UHFFFAOYSA-N 405.708 4.719 0 40 HJAB Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c(C)c1 5542342 GTIOUZABPXGMKF-NRFANRHFSA-N 407.514 4.859 0 40 HJAB biogenic Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)nc1-c1ccc(CC(C)C)cc1 5792490 QFBPGWOTJNCCBZ-HCXYKTFWSA-N 410.539 4.778 0 40 HJAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3ccccc3)cc2)cc1 5934672 OURKGAKOCCAXAT-KRWDZBQOSA-N 403.482 4.663 0 40 HJAB CCC(=O)c1ccc(OCC(=O)OCc2csc(-c3ccc(OC)cc3)n2)cc1 6029443 KHHCDQWVKOVGJJ-UHFFFAOYSA-N 411.479 4.534 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 6051832 NQOCOTHIOMMXPS-UHFFFAOYSA-N 412.917 4.776 0 40 HJAB COc1ccc2c(C)c(CC(=O)Nc3c(C)cccc3C(C)C)c(=O)oc2c1OC 6624287 MDSIEXUOVJFDDF-UHFFFAOYSA-N 409.482 4.732 0 40 HJAB biogenic Cc1ccnc(N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)c1 6760707 YFEVVXOECRDIAF-OAQYLSRUSA-N 416.447 4.682 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccccc1-c1ccccc1 6882242 OHYRWXWQPRFFHV-UHFFFAOYSA-N 408.885 4.726 0 40 HJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1Cl 7912457 PUJBVVDIBCEZCB-JKSUJKDBSA-N 401.938 4.751 0 40 HJAB CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(c2nc3ccccc3s2)CC1 8201713 NMEGNQKJNVCFOB-GOSISDBHSA-N 407.583 4.913 0 40 HJAB COc1cccc(Nc2nc(N3CCC[C@@H](C)C3)nc3c2cnn3-c2ccccc2)c1 9573617 KHBINRYRWKSEKN-QGZVFWFLSA-N 414.513 4.804 0 40 HJAB Cc1c(Cl)cnc(NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)c1Cl 9664543 GGKGOBMLAJOKGM-UHFFFAOYSA-N 422.095 4.728 0 40 HJAB O=C(Nc1cccc(Br)c1)c1cccn(Cc2ccccc2Cl)c1=O 10187777 GZDKUYAFXCFZCV-UHFFFAOYSA-N 417.690 4.565 0 40 HJAB Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2SCCC(N)=O)c(C)c1 10229012 WUNRHPAWGVFVIG-UHFFFAOYSA-N 416.550 4.596 0 40 HJAB COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)cc1 12463063 XYVMFOBZCKPSDJ-HXUWFJFHSA-N 411.505 4.922 0 40 HJAB O=C(NC1CC1)[C@H](Sc1nccn1-c1cccc(Cl)c1)c1ccc(F)cc1 12479137 CUQHCMJRJBOWGV-GOSISDBHSA-N 401.894 4.777 0 40 HJAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)c2cccs2)n(C(C)C)c1C 13691030 AVFSAIAUKCXGJG-UHFFFAOYSA-N 402.541 4.832 0 40 HJAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)NC3CCCCC3)n2CC)cc1 13871609 FHGDNMDSZRIMLD-MRXNPFEDSA-N 416.591 4.541 0 40 HJAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc(C)c1Cl 14002743 DUKBNPXSLZNLBL-UHFFFAOYSA-N 414.933 4.991 0 40 HJAB COc1ccc(C(=O)C2CCN(Cc3nc(-c4ccc(C(C)C)cc4)no3)CC2)cc1 14326657 CTDOVBJVUKKYGN-UHFFFAOYSA-N 419.525 4.964 0 40 HJAB Cc1cccc(OCCN(C)Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)c1 15100467 PDGMUUUYUNLKML-UHFFFAOYSA-N 423.582 4.760 0 40 HJAB Cc1cc(C)c(OCC(=O)Nc2ccc(CN3CCCC3)cc2)c(Br)c1 17091001 ZQVDWXDRGZVCOI-UHFFFAOYSA-N 417.347 4.679 0 40 HJAB COc1cc(NC(=O)c2cccnc2Cl)ccc1NC(=O)c1cc2ccccc2o1 17092822 HVEPVPALOMSIGC-UHFFFAOYSA-N 421.840 4.994 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 20483813 QYDQVKVTFRFZLX-LJQANCHMSA-N 407.341 4.808 0 40 HJAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1OC[C@@H]1CCCO1 21843909 RBDVEPPHZFHOEG-SFHVURJKSA-N 419.506 4.873 0 40 HJAB COc1cc(CN[C@H](C)c2ccccc2Br)cc(OC)c1OC(F)F 22777792 QNBVUDQYBYYCEX-LLVKDONJSA-N 416.262 4.919 0 40 HJAB CC(=O)NCc1ccc(C(=O)CSc2nccn2-c2ccccc2C(C)C)s1 26048157 NTPZJLLXBGZOHE-UHFFFAOYSA-N 413.568 4.668 0 40 HJAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CC(=O)N(CCc2ccccc2)C1 26399347 BPSPDMODABHKED-CYBMUJFWSA-N 411.716 4.677 0 40 HJAB Cc1cccc(CSc2nnc(Nc3cccc(C)c3C)c(=O)n2-n2cccc2)c1 28535095 UNSPVKCJFZRTMP-UHFFFAOYSA-N 417.538 4.712 0 40 HJAB C[C@@H]1CCc2c(sc3nc(S[C@H](C)c4nc(-c5ccco5)no4)nc(N)c23)C1 29738775 RNZJMOQIESFELM-NXEZZACHSA-N 413.528 4.895 0 40 HJAB CSc1cccc(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4ccc(F)cc4)nn32)c1 32073885 VQXUYUHPQCHRRH-QGZVFWFLSA-N 410.474 4.891 0 40 HJAB COc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1Br 32109652 DHSHZRRMTIKIEN-UHFFFAOYSA-N 424.254 4.913 0 40 HJAB CCc1ccc([C@@H](C)NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 40141099 IBBFUKSBIGHDNC-GOSISDBHSA-N 407.535 4.714 0 40 HJAB COc1ccc(Cl)cc1C(=O)OCc1nc(-c2ccc(Br)cc2)no1 44836544 RRPCFRILZSPORE-UHFFFAOYSA-N 423.650 4.518 0 40 HJAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1ncc(C(F)(F)F)cc1Cl)CC3 58406559 FUZUAVBPIGZFGY-UHFFFAOYSA-N 409.795 4.584 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)c1C 59176087 OGPDEYLHIUBHPZ-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB COc1cc(-c2nn(CNc3cc(C)ccc3C)c(=S)o2)cc(OC)c1OC 59488490 GYUHAAKXIISRJM-UHFFFAOYSA-N 401.488 4.585 0 40 HJAB CCOc1cc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)ccc1OC 67288312 YAQKGCZANSVDDX-UHFFFAOYSA-N 423.488 4.629 0 40 HJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)cc3F)oc12 67295887 UPEXPOAYZYHIAR-CLCOLTQESA-N 413.405 4.661 0 40 HJAB O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1 72330441 SWDNPTPLKQAUPZ-BWKNWUBXSA-N 409.549 4.871 0 40 HJAB CCn1ncc(CN2CCC[C@@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)c1C 72372456 PYVUFQDQGZLVTM-RUZDIDTESA-N 404.558 4.851 0 40 HJAB Cc1ccc(OC[C@H](O)Cn2c(Cc3ccccc3C)nc3ccccc32)cc1C 82087062 KDXLERVGXGGSHD-JOCHJYFZSA-N 400.522 4.992 0 40 HJAB COC(=O)c1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)o1 96313864 YZDCNBWYCYUHKN-WQLSENKSSA-N 424.265 4.560 0 40 HJAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)Nc1ccc4c(c1)OC1(CCCCC1)O4)(C3)C2 100233916 OWHKUDDXJAVMBG-RDNZODCXSA-N 424.541 4.532 0 40 HJAB CCn1c(-c2c(C)oc3ccccc23)cs/c1=N/S(=O)(=O)c1ccc(C)cc1 100975435 XTNKMWGKCQGPKU-QURGRASLSA-N 412.536 4.889 0 40 HJAB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1 113935970 TXNYMVPJJONLHU-QHCPKHFHSA-N 422.550 4.701 0 40 HJAB CCn1c(S/C(=C\c2ccccc2OC)C(=O)O)nnc1-c1ccc(Cl)cc1 211521695 GLYUKHBISVZQML-ATVHPVEESA-N 415.902 4.845 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 222539189 BWTQXSGOZOJECM-QFIPXVFZSA-N 414.977 4.831 0 40 HJAB C[C@@H](C(=O)NCc1ccco1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222843138 QUVHQLIOGKGOLG-SFHVURJKSA-N 424.928 4.599 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 223638588 WNPQQPHQVBLIDM-DEOSSOPVSA-N 408.586 4.960 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 223747949 WERIIGGQXYIGDR-OAQYLSRUSA-N 400.950 4.606 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)cc1 223941761 GEVLHETZGXRWJN-GOSISDBHSA-N 408.523 4.595 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 224238807 VSEZZRVMSVENCZ-DEOSSOPVSA-N 422.569 4.548 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3=CCCCC3)cc2Cl)cc1 224409548 CJTXXRMAXQPGKO-UHFFFAOYSA-N 418.946 4.679 0 40 HJAB COC(=O)c1cccc(NC(=S)NCCSCc2cccc(Cl)c2)c1C 225299682 LKVWEPCBUFQMTL-UHFFFAOYSA-N 408.976 4.655 0 40 HJAB CCOc1ccc(-c2noc(CNC(=S)Nc3ccc(C)c(Cl)c3)n2)cc1 225831415 VQXBUDNFPSNCDQ-UHFFFAOYSA-N 402.907 4.584 0 40 HJAB CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CCCN(Cc4ccncc4C)C3)cc2N1 253602796 RWCYJNURQPBREZ-SCTDSRPQSA-N 407.484 4.664 0 40 HJAB CCCCC(=O)N1CCC[C@H]1c1nc(COc2ccc(Cl)cc2)c(C(=O)O)s1 257343404 ZSVYFKSOFMYNGA-INIZCTEOSA-N 422.934 4.927 0 40 HJAB C[C@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 409003585 SZKLVQYKAWIGOI-HYVJGQCMSA-N 419.525 4.563 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(C)c3O)[C@](O)(C(F)(F)F)[C@H]2C1 409364590 XPWWXZDDODFYTR-IAMHBRQHSA-N 412.452 4.616 0 40 HJAB COCCCN[C@H]1CCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC(=O)N2Cc1ccc(F)cc1 585261746 FZUFEILDJYMMRV-TWZJLLKVSA-N 424.560 4.505 0 40 HJAB O=C(Oc1ccc(Br)cc1C(=S)N1CCCCC1)c1ccccc1 866330 DVCNJGOHUJUKRW-UHFFFAOYSA-N 404.329 4.830 0 40 HJAB COC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 996269 OILYVSLDYMYOQO-CQSZACIVSA-N 401.528 4.947 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2-c2ccccc2)cc1 1224337 BSRINCXJUVZNRL-UHFFFAOYSA-N 416.506 4.679 0 40 HJAB Cc1ccc(C(C)C)cc1CN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2ccccc21 1320454 ZEVPIKISCTUCBF-AREMUKBSSA-N 414.505 4.521 0 40 HJAB Cc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 1439269 LZSKACSSSVHSMY-NRFANRHFSA-N 414.505 4.874 0 40 HJAB COc1c(Cl)cc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1Cl 2365249 KJTBDOUXWWYFDF-UHFFFAOYSA-N 413.326 4.684 0 40 HJAB CCCSc1nc(N2CCN(CC)CC2)c2c3c(sc2n1)CO[C@](C)(CC)C3 2367900 ZOPHNJIZOYNENH-OAQYLSRUSA-N 420.648 4.577 0 40 HJAB CN(c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(F)cc1 2630730 YEOKCOXTBBZUSL-UHFFFAOYSA-N 405.878 4.883 0 40 HJAB C[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 2633480 LVNUBVWVUNXFBY-ZDUSSCGKSA-N 400.887 4.576 0 40 HJAB CC(=O)c1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1 2663718 ZXKVHYLAZIOOTI-UHFFFAOYSA-N 403.095 4.728 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)o2)cc1 3257122 RKIUBYAZWFCVKE-BMGDILEWSA-N 404.532 4.841 0 40 HJAB COc1ccccc1OCC(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 3655400 CAYVZYLQOVOYGC-UHFFFAOYSA-N 419.408 4.829 0 40 HJAB O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2cc3ccccc3o2)C1 4237299 RJJCJMULLZOBCS-FUHWJXTLSA-N 402.519 4.942 0 40 HJAB biogenic,in-vitro COc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1NC(=O)c1cccs1 4487796 KYEBVJYFVOBOBK-UHFFFAOYSA-N 400.887 4.844 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)N(C(=O)C(C)(C)C)c3ncnn32)cc1 4732803 CSZNTWZPGUTEAR-LEWJYISDSA-N 404.514 4.709 0 40 HJAB Cc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 5012212 JRQZQICACTZBFB-UHFFFAOYSA-N 416.344 4.855 0 40 HJAB Cc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 5164505 PDSPAQGEIPIYAN-OAQYLSRUSA-N 400.409 4.694 0 40 HJAB Cc1[nH]c2ccccc2c1[C@]1(O)C(=O)N(Cc2cccs2)c2ccc(Cl)cc21 5324398 LIBMMTIRGVZPNH-QFIPXVFZSA-N 408.910 4.974 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc(F)cc1F 5887381 OFWYVDXIIQITAN-UHFFFAOYSA-N 412.421 4.536 0 40 HJAB O=C(COC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(-c2ccccc2)cc1 6610769 NAXNZWSCKFOMQD-UHFFFAOYSA-N 413.473 4.516 0 40 HJAB CCCOC(=O)c1cc(C(C)C)sc1NC(=O)c1cc(OC)c(OC)cc1OC 6636226 WOKVPGUCGSIYPQ-UHFFFAOYSA-N 421.515 4.716 0 40 HJAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)cs2)c(C)c1 6681277 WIGUNDMTHYCCML-UHFFFAOYSA-N 418.515 4.581 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)NC2CC2)nnc1-c1ccc(C(C)(C)C)cc1 6830960 DTBKQJSXLHPXGH-UHFFFAOYSA-N 420.582 4.911 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 6885812 SKTISXLPAHPAFJ-JLHYYAGUSA-N 402.837 4.793 0 40 HJAB O=C(Nc1ccccc1)Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 6939500 LMGICEMIHNXBOX-UHFFFAOYSA-N 401.875 4.785 0 40 HJAB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N1CCCCCC1 6944809 AHEAHGITFYYPRB-UHFFFAOYSA-N 414.021 4.979 0 40 HJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@@H]1COc2ccc(Cl)cc2C1 8039883 YHWRBLIFNWRYFG-KRWDZBQOSA-N 422.916 4.515 0 40 HJAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cc(Cl)ccc1Cl 8310316 MGHZJGCVTKDATP-SFHVURJKSA-N 421.324 4.930 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 8434122 OYSMZANBUNXQOO-NHCUHLMSSA-N 402.494 4.519 0 40 HJAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(Cl)ccc3C)ccc21 8840782 UWHVMBACIHHNML-UHFFFAOYSA-N 406.935 4.529 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)C(=O)Nc1cc(C)ccc1O2 9134931 VUVVECUIXCTGTF-UHFFFAOYSA-N 404.422 4.623 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)c1 9569376 WGZULAPSYRUUJD-UHFFFAOYSA-N 422.506 4.611 0 40 HJAB COc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3OC)cc(=O)c2c1 9660144 QPXZDSLIHPECOU-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB biogenic O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)Nc1ccc(C(F)(F)F)cc1 10132016 SWUIIYITLHXRPZ-UHFFFAOYSA-N 423.394 4.721 0 40 HJAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 10335889 XAZHMNCLUDKWPU-UHFFFAOYSA-N 422.550 4.984 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CCc1csc(NC(=O)c2cccs2)n1 11835227 YGMIMXJRLBXBPZ-UHFFFAOYSA-N 421.931 4.690 0 40 HJAB O=S(=O)(c1cccs1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl 12361539 FHPWDYVXXBWYQG-KRWDZBQOSA-N 413.351 4.650 0 40 HJAB COc1ccc(N2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)[C@@H](c4ccccc4)N3C2=O)cc1 12871875 XHEGKZPYJYUHRI-LADGPHEKSA-N 423.472 4.659 0 40 HJAB biogenic Cc1csc(NC(=O)CSc2nnc3scc(-c4ccc(Cl)cc4)n23)n1 12878850 CLDJWQVBVYBERW-UHFFFAOYSA-N 421.960 4.607 0 40 HJAB O=C(Nc1ccnn1C1CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 12881930 GLLJXXWDRIDMMP-UHFFFAOYSA-N 414.937 4.533 0 40 HJAB Cc1ccc([C@H](NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)c2ccccc2)cc1C 12998494 HBJJBRPMUSQLKX-ISKFKSNPSA-N 416.521 4.654 0 40 HJAB Cc1ccc(-c2nn(CN(C)CC(=O)Nc3ccccc3Cl)c(=S)o2)cc1C 13071914 IOZPMIPRUUDMOB-UHFFFAOYSA-N 416.934 4.671 0 40 HJAB CN1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 13570644 JRKXZSDHWWDBMI-RZTXVSJASA-N 416.908 4.716 0 40 HJAB COc1cc(-c2nc(C)c(C(=O)Nc3ccc4cc[nH]c4c3)s2)cc(OC)c1OC 13690770 RZVNROAIFJNBDM-UHFFFAOYSA-N 423.494 4.878 0 40 HJAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1c(C)cccc1C 13879581 KMLNCRSUJWSDKH-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 13881788 WVCAVDACEGRKBY-UHFFFAOYSA-N 407.326 4.922 0 40 HJAB Cc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccccc4F)OC3=O)cc2)cc1 13928280 XVEUEQPUTBKOEB-STZFKDTASA-N 401.393 4.698 0 40 HJAB Cc1cc(NC(=O)c2ccccc2I)ccc1Br 14155744 VAGSTTSOZMWGIQ-UHFFFAOYSA-N 416.056 4.614 0 40 HJAB Cc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(C)c(F)c4)c3C)c(C)o2)cc1 16842427 DGQJTPSKLVVMAS-UHFFFAOYSA-N 420.444 4.652 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2F)nc2nc[nH]c12 17784215 ZGMYIHJYYDFQEJ-UHFFFAOYSA-N 421.501 4.761 0 40 HJAB aggregator Cc1ccc(-c2nnc(C3CCN(Cc4cc5c(cc4Cl)OCO5)CC3)o2)s1 19217830 SMGKAPYKSZPGJL-UHFFFAOYSA-N 417.918 4.868 0 40 HJAB CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2C)CC1 19700100 MYWCREXKTURKGW-UHFFFAOYSA-N 413.565 4.628 0 40 HJAB COc1cc(NC(=O)COc2cc(C)ccc2C(C)C)ccc1-c1ccc(CO)o1 20144138 VSPDTUKKRNPACL-UHFFFAOYSA-N 409.482 4.897 0 40 HJAB Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(C)cc2)C4)cc1 20632469 UOQJWHVAGPODLU-IBGZPJMESA-N 414.534 4.946 0 40 HJAB CNC(=O)c1cccc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 22356751 MZQHAUGSVBPYSE-UHFFFAOYSA-N 424.884 4.540 0 40 HJAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1C 22699930 TXXYVXISRGRKSO-QHCPKHFHSA-N 402.494 4.780 0 40 HJAB C[C@@H](OCCCNC(=O)[C@H](NC(=O)c1cccs1)c1ccccc1)c1ccccc1 25672890 JIAHYIBDBXKUPJ-XMSQKQJNSA-N 422.550 4.503 0 40 HJAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccc(Br)cc1 28305909 BWIWUJMATDHKJO-UHFFFAOYSA-N 408.658 4.739 0 40 HJAB CCc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1cccc(OC)c1 28534867 QUDWZKHRALCZQY-UHFFFAOYSA-N 419.529 4.814 0 40 HJAB CC(C)c1noc(-c2ccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)n1 32579087 JBJXCLPCFJGCDA-UHFFFAOYSA-N 419.525 4.720 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)Cc2nc(-c3ccccc3)oc2C)c(OC)c1 32900463 FRPHQECXGPRVRP-OAQYLSRUSA-N 406.482 4.573 0 40 HJAB O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CCCN(C(=O)c2ccco2)C1 32902764 QDEBGZWLICLHLZ-KRWDZBQOSA-N 406.507 4.922 0 40 HJAB CCn1cc(-c2csc(NC(=O)c3cc(C)nc4c3c(C)nn4C(C)C)n2)c(C)n1 36612505 OOSQLAMLRHRSOL-UHFFFAOYSA-N 423.546 4.530 0 40 HJAB CCCn1ccc(NC(=O)c2cc(C3CC3)nc3onc(-c4cccc(OC)c4)c23)n1 36619011 ZFRXBRXXXJJLDV-UHFFFAOYSA-N 417.469 4.635 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(F)ccc1OCC(F)(F)F 37150069 PCMNJJBKIGNJGS-SFHVURJKSA-N 422.378 4.670 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)c1ccc(Br)cc1 38427791 MQHZTLKDPAWXRO-CXUHLZMHSA-N 420.259 4.507 0 40 HJAB Cc1cc([C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)c(C)s1 40080811 MMHSEDUKBVTIOD-HTAPYJJXSA-N 406.551 4.583 0 40 HJAB O=C(NCc1ccc(C(=O)N2CCCc3cc(F)c(F)cc32)cc1)c1cccs1 40133337 LJYBVOLHZOURMZ-UHFFFAOYSA-N 412.461 4.549 0 40 HJAB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1 44840930 PPEQSXLPXYPQJY-JOCHJYFZSA-N 408.523 4.677 0 40 HJAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N1CCC(Cc2ccccc2)CC1 49574121 OLELXSCAWSDIHF-UHFFFAOYSA-N 416.550 4.641 0 40 HJAB Cc1cc(C)n(-c2nc3c(C(F)(F)F)cc(I)cc3s2)n1 57327429 PXVSTWNGPCOLLQ-UHFFFAOYSA-N 423.201 4.722 0 40 HJAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)Nc1ccc(Cl)c(Cl)c1 57508017 AENFXNPIGNVTCT-UHFFFAOYSA-N 404.278 4.557 0 40 HJAB COc1ccc(-n2ncc3c2CCCN(Cc2cccc(C(F)(F)F)c2)C3)cc1 57743543 WOKPDAGYHMTVCS-UHFFFAOYSA-N 401.432 4.848 0 40 HJAB O=C(NCc1ccccc1Cl)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 67261704 CYEMZPWENQXTTF-UHFFFAOYSA-N 424.291 4.566 0 40 HJAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Br)cc2C)no1 69454284 OSBCNKMMJWDKPX-UHFFFAOYSA-N 418.316 4.994 0 40 HJAB Cn1cc(CN2CCC[C@H](c3cccc(Nc4ncccn4)n3)C2)c2cc(F)ccc21 72376095 ZCXOZFQRXMMURS-KRWDZBQOSA-N 416.504 4.626 0 40 HJAB O=C(CC1CCCC1)N1CCC[C@H]1c1ccnc(Nc2cc(C(F)(F)F)ccn2)n1 72377972 AEYOIUOWPLQRPI-KRWDZBQOSA-N 419.451 4.878 0 40 HJAB COC(=O)c1nc(NC(=O)c2nc(C)sc2C(C)C)sc1-c1ccccc1 72402440 OGVJIXLFGDQVSI-UHFFFAOYSA-N 401.513 4.737 0 40 HJAB Cn1cc(CCC(=O)Nc2cc(C(F)(F)F)ccc2NCc2ccccc2)cn1 79096656 LINPJPNJANCOAO-UHFFFAOYSA-N 402.420 4.622 0 40 HJAB COc1ccccc1-c1noc(C2(S(=O)(=O)c3ccc(C)c(C)c3)CCCC2)n1 84180804 GDZCKZOOKYKQMD-UHFFFAOYSA-N 412.511 4.605 0 40 HJAB O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1sccc1OC(F)F 84350570 CJLZEFQWLOSRER-UHFFFAOYSA-N 404.891 4.808 0 40 HJAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4ccccc4C)C3=C(O)C2)cc1OC 102656895 NZCIRJWRJSEJSZ-QMHKHESXSA-N 416.481 4.669 0 40 HJAB COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1Cl 106782888 QPLZCKBBWCGHAS-PDGQHHTCSA-N 403.887 4.772 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 165717503 DNEHCAZKSGYQJB-BLKABHOGSA-N 416.521 4.599 0 40 HJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCCOC 216449160 UGEVZIPFAGEEJN-LJQANCHMSA-N 420.962 4.616 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C 222611188 GQXKFAYKAJODIP-URXFXBBRSA-N 408.586 4.611 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 223811886 UZQDQXRQMRXHOP-OAQYLSRUSA-N 406.570 4.630 0 40 HJAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1 224389447 HGAUBEYVJWTARX-FCHUYYIVSA-N 415.497 4.584 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 225573950 IZDCASODRIEZOS-ZJSXRUAMSA-N 424.585 4.713 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 225641447 SWQQFEYUYFDFGC-XMSQKQJNSA-N 414.977 4.913 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 225641539 SWQQFEYUYFDFGC-AVRDEDQJSA-N 414.977 4.913 0 40 HJAB NC(=O)c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 226339990 VPUFKECIEPNZFE-UHFFFAOYSA-N 419.500 4.543 0 40 HJAB O=C(N1CCOC[C@@H](Cc2ccc3cnccc3c2)C1)C1(c2ccccc2)CCCC1 257315294 VARNTGWESWDSTH-QFIPXVFZSA-N 414.549 4.764 0 40 HJAB CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 408560306 YPGBASLYFIXAFG-UHFFFAOYSA-N 420.962 4.719 0 40 HJAB CCOc1cc(C(=S)NCCOC)ccc1OCc1c(Cl)cccc1Cl 408575946 OXUGYCDFIMUCFD-UHFFFAOYSA-N 414.354 4.883 0 40 HJAB O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc(Cl)cc1 409207125 SCSYUKOEKNLHIY-UHFFFAOYSA-N 420.962 4.522 0 40 HJAB CC(=O)N1CCCc2cc(NC(=O)NCC3(c4ccc(F)cc4)CCCC3)ccc21 502605287 XGVFMLFYOZBBLA-UHFFFAOYSA-N 409.505 4.758 0 40 HJAB CC(=O)N1CC2=C(C1=O)[C@@H](c1cccs1)c1cn(CC(C)C)c3cccc(c13)N2 524730798 XPVBNELNXXWMGE-OAQYLSRUSA-N 405.523 4.559 0 40 HJAB biogenic Clc1cccc(-c2nccc([C@H]3CCCN3Cc3ccnc(N4CCCC4)n3)n2)c1 1848355956 YDMRWCPVHMKVFB-OAQYLSRUSA-N 420.948 4.524 0 40 HJAB COC(=O)c1c(NC(=O)CCc2ccccc2)sc(C(=O)Nc2ccccc2)c1C 838436 NZYPYYXTZCZNBN-UHFFFAOYSA-N 422.506 4.667 0 40 HJAB O=C(Nc1ccc2nc(C3CC3)n(Cc3ccc(Cl)cc3)c(=O)c2c1)c1ccco1 1363197 JDYAVTNQLFGQIK-UHFFFAOYSA-N 419.868 4.821 0 40 HJAB Cc1ccc(CN(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1 1365279 YUHNFBGZXKRVKA-LJQANCHMSA-N 422.447 4.669 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(c1cccc(C)n1)C3=O 2407186 WIZPXIOHDDWXPG-NRFANRHFSA-N 400.409 4.694 0 40 HJAB CC(C)(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 2622767 SDCVXTJJOCGACB-UHFFFAOYSA-N 400.931 4.806 0 40 HJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 3384821 IHYLSDNEOHHCAD-LBPRGKRZSA-N 400.828 4.826 0 40 HJAB Cc1ccc(-n2nnc3c(SCc4ccc(Br)cc4)ncnc32)cc1 4166646 OUGGQACXKYEUQC-UHFFFAOYSA-N 412.316 4.574 0 40 HJAB O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12)c1cccs1 4354057 DJVVZULTQNWRLE-UHFFFAOYSA-N 406.419 4.728 0 40 HJAB CC(C)Oc1ccc(C(=O)N(CCCN(C)C)c2nc3c(F)cccc3s2)cc1 4359778 MWDJJYOGJUEYOS-UHFFFAOYSA-N 415.534 4.821 0 40 HJAB Cc1cc(C)cc(-n2ccnc(SCC(=O)Nc3ccc(C(C)C)cc3)c2=O)c1 4484290 YSVUGAAAVBMGEU-UHFFFAOYSA-N 407.539 4.704 0 40 HJAB COc1ccc(OC)c(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)c1 4704038 AQTOLNBAUQORLD-UHFFFAOYSA-N 417.505 4.972 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccc(C)cc2)nc2c(oc3ccccc32)c1=O 4852683 OHSZPYAAWHJQEC-UHFFFAOYSA-N 421.522 4.982 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2ccccc2c1 6123553 GSKQCHCHDWVDFG-UHFFFAOYSA-N 400.400 4.948 0 40 HJAB Cc1cc(NC(=O)CSc2ncnc3cc(-c4ccc(F)cc4)sc23)no1 6364591 DCSLYGDSDCXJSM-UHFFFAOYSA-N 400.460 4.525 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)cc1 8752703 DXGJTICEOZJNTO-UHFFFAOYSA-N 407.282 4.723 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(OCc3cscn3)cc2)c1 9156421 XPGWFWOBOHWZGF-NRFANRHFSA-N 424.522 4.717 0 40 HJAB COc1cccc2cc(-c3csc(NC(=O)c4ccc5c(c4)OCCO5)n3)oc12 10748057 WYOZHHGWXHUHTL-UHFFFAOYSA-N 408.435 4.588 0 40 HJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cccc(Cl)c2)cc1 11115657 WIQYFZJGTHLEOZ-VQTJNVASSA-N 413.930 4.856 0 40 HJAB COc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1OCc1ccncc1 12540281 RQPWSPHQEAZTHV-UHFFFAOYSA-N 405.479 4.840 0 40 HJAB COc1ccc(Br)c(C(=O)NCc2ccc(-c3csc(C)n3)cc2)c1 12613787 HPARNDAIFYIHMU-UHFFFAOYSA-N 417.328 4.820 0 40 HJAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(COc3ccccc3)cc2)c1 12813990 WFDFAPCYPLQZJZ-UHFFFAOYSA-N 402.494 5.000 0 40 HJAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccccc1I 12972352 MOAHNHXXNQHAGB-UHFFFAOYSA-N 414.246 4.914 0 40 HJAB O=C(C[C@@]1(O)C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1ccco1 16524479 UOHXQCJSRUKBTH-NRFANRHFSA-N 416.260 4.594 0 40 HJAB O=C1CC[C@]2(C(=O)Nc3ccc(Br)cc3Cl)Sc3ccccc3N12 17579414 ZCMAQJFVYNKHLF-QGZVFWFLSA-N 423.719 4.670 0 40 HJAB O=C(Nc1cccc(F)c1)OCC[C@@H]1CCCCN1C(=O)Nc1cccc(F)c1 19075443 CIGCMTCTCODFAW-IBGZPJMESA-N 403.429 4.990 0 40 HJAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 19400391 PJHFWGMEHOOMOW-HYBUGGRVSA-N 423.532 4.511 0 40 HJAB Cc1nc(C)c(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)s1 19564829 CCLXNJXZNWOHQE-UHFFFAOYSA-N 424.448 4.643 0 40 HJAB Cc1noc2nc(C3CCN(C(=O)c4ccccc4F)CC3)cc(C(F)(F)F)c12 19564890 STZZTVSUXGBLLY-UHFFFAOYSA-N 407.367 4.709 0 40 HJAB Cc1c(CN2CCC([C@H](NC(=O)C3CCC3)c3ccccn3)CC2)[nH]c2ccccc12 19565884 OWXVYPQOJCRPQK-VWLOTQADSA-N 416.569 4.741 0 40 HJAB Cc1ccccc1C(=O)NC(Nc1ccc(Cl)cn1)(C(F)(F)F)C(F)(F)F 19944243 IBEXUVIGKBMAKN-UHFFFAOYSA-N 411.733 4.706 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(C)c2C)sc2c1CCCC2 20046112 CUTOXJZHZQVONL-OAHLLOKOSA-N 401.528 4.826 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 20571688 CXXNINHJOKSVMD-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nc(-c2cccc(F)c2)cs1 21669475 WOWZLBHNMNFIJF-HXUWFJFHSA-N 407.470 4.852 0 40 HJAB CCOc1ccccc1OCC(=O)Nc1scc(-c2cccs2)c1C(=O)OC 21785455 DBGBIOKCQWPQMV-UHFFFAOYSA-N 417.508 4.679 0 40 HJAB CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCOCC2)cc1 28290616 QHFPBPOKUGRHPK-VWLOTQADSA-N 424.585 4.502 0 40 HJAB COc1ccc(CC(=O)Nc2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 32623059 AZJHMWTZNSBRRN-UHFFFAOYSA-N 403.413 4.733 0 40 HJAB COc1cc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)nsc32)cc2c1OCO2 35324557 OCVONZYWMKOUHI-ZDUSSCGKSA-N 414.870 4.675 0 40 HJAB Cc1cccn2cc(-c3ccc(NC(=O)c4cc(Cl)c5c(c4)OCO5)cc3)nc12 40119354 CAFXDADXPMKPRL-UHFFFAOYSA-N 405.841 4.944 0 40 HJAB CSc1ccc([C@H]2CC(=O)N(c3ccc(F)c(F)c3)c3c2sc(=O)n3C)cc1 49550526 CVIJEOGBPNPSAI-CQSZACIVSA-N 418.490 4.647 0 40 HJAB C[C@@H]1CN(Cc2cccc(CNC(=O)Nc3cc(Cl)ccc3Cl)c2)CCO1 58157489 HHUALMUVKVKDEE-CQSZACIVSA-N 408.329 4.536 0 40 HJAB O=C(Nc1cc(Cl)cc(Cl)c1)N(CCO)Cc1ccccc1Br 64519226 CVABJUZORZVMIY-UHFFFAOYSA-N 418.118 4.782 0 40 HJAB Cc1ccccc1C(=O)Nc1nc(-c2nnn(-c3cccc(Cl)c3C)c2C)ns1 67341357 FIMOJFPXUWKXKG-UHFFFAOYSA-N 424.917 4.617 0 40 HJAB CC(C)c1cccc(C(C)C)c1NCCOC(=O)c1ccc(CS(C)(=O)=O)cc1 95450770 SXPJAKNKTICEHY-UHFFFAOYSA-N 417.571 4.747 0 40 HJAB Cc1cc(NC(=O)c2ccn(-c3ccc4ccc(-c5cccc(F)c5)cn34)n2)ccn1 96155410 YPUJIXBVULFSQU-UHFFFAOYSA-N 411.440 4.887 0 40 HJAB C[C@H](Oc1ccc(Br)cc1Br)C(=O)N1[C@@H](C)CCC[C@H]1C 102282743 LNYSSRAAGKDGSC-TUAOUCFPSA-N 419.157 4.768 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c2ccccc12 214651170 HDGUKMLLNVKBEW-DEDYPNTBSA-N 418.474 4.523 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccccc1Cl 222829794 GEDPHHUWQGASEO-OAHLLOKOSA-N 407.341 4.827 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 223193248 GQSLAJFITHISMZ-QGZVFWFLSA-N 418.990 4.766 0 40 HJAB COC(=O)c1ccc(N[C@@H](C)c2ccccc2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223410942 DJWDAVQIEPEZCZ-KRWDZBQOSA-N 424.522 4.756 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1 223562757 GCPNNDJOWWGUOR-QFIPXVFZSA-N 412.599 4.644 0 40 HJAB CCc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 224206414 DVEJAYIHZLZFNJ-UHFFFAOYSA-N 422.550 4.943 0 40 HJAB Cc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 224267126 GQPQJAOMWWAGMS-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 224548240 RIIAYEHRLRWCGX-XMMPIXPASA-N 424.585 4.695 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 224740541 ZQCYLBMTAKTKNY-INIZCTEOSA-N 421.368 4.788 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 225129706 GLATZSHITFVKOS-NHCUHLMSSA-N 424.585 4.829 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 225207533 XLSRDFUCIZHTPH-JKSUJKDBSA-N 421.368 4.868 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CC(c1ccccc1)c1ccccc1 225434702 UHXONYSJSMQUMT-LJQANCHMSA-N 418.512 4.511 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 225556168 GMKVGDHEJGCUCR-KRWDZBQOSA-N 418.990 4.764 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(N2CCCC2=O)c1 225680041 QFJLPENRCZQEJQ-LJQANCHMSA-N 409.555 4.711 0 40 HJAB Cc1cc(OCc2ccccc2)ccc1C(=O)[C@H](Br)CBr 382704448 RHTBAYXSMRMOOX-MRXNPFEDSA-N 412.121 4.915 0 40 HJAB O=C(Nc1ccccc1C(=O)NCc1cccnc1)/C(=C/c1ccco1)c1ccccc1 408563750 PCMQAPVAHUQBMV-XQNSMLJCSA-N 423.472 4.784 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3)nc2-c2ccc(F)cc2)cc1 408696099 WCYMADQUJFAPDO-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB Oc1nc(-c2cc3c(cc2Br)OCO3)nc2sc3c(c12)CCCCC3 408989825 MGDGCYGSJUGBNP-UHFFFAOYSA-N 419.300 4.824 0 40 HJAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1Oc1nc(Cl)ncc1F 409346291 MELHPPYATLTVRE-RIYZIHGNSA-N 423.853 4.516 0 40 HJAB C[C@@H](CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1nc(-c2ccccc2)no1 1152967750 NMLYEEQIVFKQAD-NSHDSACASA-N 409.795 4.942 0 40 HJAB Cc1ccc(C(F)(F)F)c2c1N(C(=O)[C@H]1CC(=O)N(C)c3ccccc31)C[C@H](C)C2 1623377733 CNEQDSJSYIBYJG-CJNGLKHVSA-N 416.443 4.689 0 40 HJAB COc1ccc(C(=O)CSc2nnc(-c3ccc(O)cc3)n2-c2ccccc2)cc1 886661 NLFWJPYMGIGZGY-UHFFFAOYSA-N 417.490 4.624 0 40 HJAB COc1ccc(NC(=S)N2CCS[C@H]2c2ccc(Br)cc2)cc1 1101458 BFNRSFFTHHNRBQ-INIZCTEOSA-N 409.374 4.902 0 40 HJAB Fc1ccc2[nH]c3c(N4CCN(c5cccc(C(F)(F)F)c5)CC4)ncnc3c2c1 1240662 JFIVUEIRAPICRF-UHFFFAOYSA-N 415.394 4.596 0 40 HJAB Cc1cc(C)n2nc(SCCCC(=O)Nc3c(Cl)ccc(C)c3Cl)nc2n1 2631989 LBCRTRZKMOCAIN-UHFFFAOYSA-N 424.357 4.867 0 40 HJAB Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1I 3327514 KWJNQTSANPPVBS-UHFFFAOYSA-N 405.157 4.871 0 40 HJAB Cc1cccc(Nc2nnc(SCC(=O)N3CCc4ccccc4C3)s2)c1C 3463398 NJJCCAXDXOKREC-UHFFFAOYSA-N 410.568 4.576 0 40 HJAB COc1ccc2c(c1)Cc1sc(NC(=O)c3ccc(Br)cc3)nc1-2 3651701 VTYFXILBKJQSMA-UHFFFAOYSA-N 401.285 4.738 0 40 HJAB O=C(NCc1cccnc1)c1cc2cc(C34CC5CC(CC(C5)C3)C4)ccc2oc1=O 4418032 ODBWAAORUQJEQU-UHFFFAOYSA-N 414.505 4.586 0 40 HJAB COc1cccc(C(=O)n2nc(-c3ccc(C)cc3)nc2NCc2cccs2)c1 4777287 RCTIDUSYHGEGDQ-UHFFFAOYSA-N 404.495 4.624 0 40 HJAB CC1(C)N=C(SCC(=O)Nc2ccccc2)C(c2ccc(Br)cc2)=N1 4891385 KQOIITXWEVPGFB-UHFFFAOYSA-N 416.344 4.758 0 40 HJAB COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3ccc(C)cc3)nc12 5142405 AUQTYTIXSMRSFP-UHFFFAOYSA-N 419.506 4.864 0 40 HJAB COc1ccc(-c2cn3nc(CNc4cccc(OC)c4)n4c3c2CCCC4)cc1 5150395 UDHOHHLJCPZOGS-UHFFFAOYSA-N 402.498 4.768 0 40 HJAB Cc1ccc(C(=O)COc2ccc(Cl)cc2N2C(=O)c3ccccc3C2=O)cc1 6204250 KMJKAGLLKBBKFQ-UHFFFAOYSA-N 405.837 4.711 0 40 HJAB COc1ccc(CNC(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)cc1 6748019 BGTRZDMMTIBBPK-UHFFFAOYSA-N 413.930 4.669 0 40 HJAB CCOc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 6886833 OKARESGKXRBAEP-MRXNPFEDSA-N 418.493 4.554 0 40 HJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCSCc1ccccc1 7686061 ULKLDRZUXJOIOZ-UHFFFAOYSA-N 401.919 4.672 0 40 HJAB CC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 8924854 UTAVNHQJYBOKCN-UHFFFAOYSA-N 400.478 4.533 0 40 HJAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2Sc2ccccc2)C1=O 9262959 KFZUGIMQWNOJOW-LDADJPATSA-N 413.520 4.826 0 40 HJAB CCOc1ccc(C(=O)c2cn(Cc3ccccc3F)c3ccc(F)cc3c2=O)cc1 9610739 GLHWPYUPKJIAAY-UHFFFAOYSA-N 419.427 4.958 0 40 HJAB Cn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccco1 10014501 PMYOVVZSBRUBAZ-UHFFFAOYSA-N 417.705 4.766 0 40 HJAB O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10547066 RTRWXSDYMKHGEM-HNNXBMFYSA-N 405.889 4.626 0 40 HJAB C[C@H](Sc1ncnc2c1cnn2C)C(=O)Nc1ccccc1Sc1ccccc1 11685538 SASURYOTGZCARP-AWEZNQCLSA-N 421.551 4.634 0 40 HJAB Cc1ccc(N2C[C@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)c(C)c1 12416008 IMJWWSBTDYCZPT-OAHLLOKOSA-N 401.388 4.893 0 40 HJAB CC(=O)Nc1ccc(C(=O)N(C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)cc1 12608258 GBRYCOJSDXEKMT-KRWDZBQOSA-N 412.493 4.817 0 40 HJAB Cc1ccc(OC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c(Br)c1 12940894 RGMHCRFTHCKLRB-UHFFFAOYSA-N 416.315 4.524 0 40 HJAB CC[C@H](C)c1ccccc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12979190 LCGKRNKHKZEMPJ-HNNXBMFYSA-N 409.555 4.879 0 40 HJAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@H](C)c3ccccc3)cc2)n1 13228118 OIPHAJXHIZIIQI-GOSISDBHSA-N 408.505 4.934 0 40 HJAB C[C@H]1CN([C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(Cl)(Cl)Cl)C[C@@H](C)O1 13551543 MHYOKXMLWSCKNE-IIYDPXPESA-N 421.796 4.519 0 40 HJAB CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@H](C)Oc1ccccc1Cl 13870897 GVNAFCNUGVBZHL-AWEZNQCLSA-N 422.982 4.632 0 40 HJAB O=C(CSc1nnc(COc2ccccc2F)o1)c1ccc(Br)cc1 14152715 BLWSQBXQIFDEHA-UHFFFAOYSA-N 423.263 4.525 0 40 HJAB CCSc1nnc2c(n1)O[C@@H](c1ccc(Br)s1)Nc1ccccc1-2 15018376 DGCHTWFIBQRIQL-AWEZNQCLSA-N 421.345 4.978 0 40 HJAB CCc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1 15225424 UDGRVEVWHRMUGN-UHFFFAOYSA-N 415.518 4.679 0 40 HJAB COc1cc(NC(=O)c2cccc(OCc3cscn3)c2)c(OC)cc1Cl 16201350 QYJQXLHJXZXSFV-UHFFFAOYSA-N 404.875 4.645 0 40 HJAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1)c1cccs1 16309101 LXMRADSGASRLML-IBGZPJMESA-N 416.506 4.854 0 40 HJAB O=C(CN[C@@H](c1ccccc1)c1ccc(Cl)cc1)NC(=O)Nc1ccccc1F 16684984 WJKSZIOPBVLXBE-NRFANRHFSA-N 411.864 4.506 0 40 HJAB Cc1cccc(C)c1NC(=O)Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S 16807152 ZXQVKAFVUCRHKA-UHFFFAOYSA-N 409.559 4.830 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cc1OC 19082410 WASXPIOWNTWMBQ-SJLPKXTDSA-N 412.530 4.820 0 40 HJAB Cc1ccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 22275360 BCCDFNGARJHOGP-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB O=C(NC1CC1)c1cc(SCc2nc(-c3ccc(F)cc3)no2)nc2ccccc12 22747841 ZDVYBUQKSYHJNB-UHFFFAOYSA-N 420.469 4.608 0 40 HJAB O=C(Nc1ccccc1)c1ccccc1OC[C@H](O)COCc1ccc(Cl)cc1 24757692 VYPKOYJQUMDKPH-HXUWFJFHSA-N 411.885 4.549 0 40 HJAB CCCOc1cccc(C(=O)N(Cc2ccc(OC)c(OC)c2)c2ccccn2)c1 27742345 ZSIINGSXYMXUKT-UHFFFAOYSA-N 406.482 4.735 0 40 HJAB N=C1NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)S1 33419950 JZMRQOGFPDUFAU-OVCLIPMQSA-N 423.719 4.820 0 40 HJAB CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)ccc2o1 40081661 LKYARUZCZJEREM-CQSZACIVSA-N 411.527 4.678 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3oc4c(c3C)C(=O)CCC4)n2)cc1F 40131157 IOEHKBPKYZZUSW-UHFFFAOYSA-N 400.431 4.631 0 40 HJAB Cc1cc2ncn(CCCC(=O)Nc3ccc(C(=O)NC(C)(C)C)cc3)c2cc1C 40135221 ZCGTYLQZVFUQCT-UHFFFAOYSA-N 406.530 4.600 0 40 HJAB O=C(Nc1ccccc1O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 44917375 AIFBGMZHEQGRAU-QFIPXVFZSA-N 404.510 4.826 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)cc1 44947486 JFOIEHAYFJBRCT-UHFFFAOYSA-N 420.962 4.854 0 40 HJAB Cc1noc(-c2ccccc2OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 46012421 YWQBFWCXPPTWPO-UHFFFAOYSA-N 411.767 4.735 0 40 HJAB CCCCn1c(SCC(=O)Nc2c(C)cccc2C)nc2ccsc2c1=O 57426385 GFWZXEKFHBHCMS-UHFFFAOYSA-N 401.557 4.606 0 40 HJAB Fc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCCO4)=NN12 67321528 NMQFIBJTBABNOV-YKSBVNFPSA-N 402.425 4.839 0 40 HJAB COc1cc([C@H]2CC(O)=Nc3c2cnn3C(C)C)ccc1OCc1c(C)noc1C 71280788 LAHBHAINEJWCNS-MRXNPFEDSA-N 410.474 4.780 0 40 HJAB CCN(CC)CCOc1ccccc1NC(=O)c1ccc(CN2CCCCC2)s1 72301597 ZVGWCXBRYOYDOE-UHFFFAOYSA-N 415.603 4.707 0 40 HJAB O=C(Cc1ccccn1)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349500 UZDPVFSAZKSZDN-IBGZPJMESA-N 405.929 4.670 0 40 HJAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 72377137 BKLWHRSNBOLVED-MRXNPFEDSA-N 413.934 4.512 0 40 HJAB COc1cccc([C@H]2CC(c3ccsc3)=NN2S(=O)(=O)c2ccc(C)cc2)c1 89638860 AXQWUCXUDVLFLA-OAQYLSRUSA-N 412.536 4.605 0 40 HJAB O=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)c1ccc(-n2cccc2)cc1 96119618 MFRHUOVMSWIVJE-UHFFFAOYSA-N 421.460 4.765 0 40 HJAB CCCCNC(=O)OC[C@]12CO[C@@H](c3ccc4c(c3)OCO4)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 100740827 IIOVNYVUSZTJQU-VFZORFNVSA-N 415.530 4.848 0 40 HJAB biogenic CCn1cc(-c2cc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c3ccccc3n2)c(C)n1 102630329 APRSLILKLAXMSM-CAIZAGQASA-N 402.542 4.981 0 40 HJAB C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCCCCC1 107963696 FLFRLYWOZICKHS-RXVVDRJESA-N 418.578 4.714 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222674214 RJDZMACWUWOHTR-OAHLLOKOSA-N 421.368 4.868 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 222927551 PTCYVEFFDNDNHS-GOSISDBHSA-N 414.977 4.949 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 223036372 UXOOPVZRGCHCFE-JOCHJYFZSA-N 416.949 4.918 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 223086947 OKLCTXWRCMJSEM-LJQANCHMSA-N 414.977 4.915 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 223363950 DNNNMMXCJUCGJL-HXUWFJFHSA-N 421.368 4.706 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1Cc1ccncc1 223505420 NOVDZJSIBMKIEO-DHIUTWEWSA-N 417.582 4.956 0 40 HJAB Cc1cc(C(=O)Nc2ccccc2Cl)ccc1N(C)S(=O)(=O)c1ccccc1 224189215 YNEZPAVVWAINKE-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CN(c1ccc(Cl)c(C(=O)Nc2ccccc2F)c1)S(=O)(=O)c1ccccc1 224331841 TVHWGJXPJANVKE-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 225101077 CYAJYHCLOKLZGT-JOCHJYFZSA-N 410.558 4.522 0 40 HJAB Cc1cc(C)n(Cc2ccc(C(=O)NCCSCc3ccc(Cl)cc3)cc2)n1 225286430 WRPXDRYXUKIAIH-UHFFFAOYSA-N 413.974 4.865 0 40 HJAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cn3nc(C)cc3C)cc1)CC(C)(C)O2 225292496 LDCVALYKBSGRDL-JOCHJYFZSA-N 403.526 4.889 0 40 HJAB Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cnc4ccccc4c3)n2)s1 225400005 VHIGPYUXYSBXAD-SFHVURJKSA-N 410.930 4.913 0 40 HJAB biogenic,in-vitro CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1NC(=O)C(C)C 225766674 PLDGBBJYMYREEQ-MRXNPFEDSA-N 420.600 4.659 0 40 HJAB COc1ccc(CNC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1 225830947 MRRAYLYOERPTQU-UHFFFAOYSA-N 413.477 4.661 0 40 HJAB CCCCCC1=NN(C(=O)COc2cc(C)ccc2C(C)C)[C@](O)(C(F)(F)F)C1 408953062 LLFVCHAKVWYOGG-HXUWFJFHSA-N 414.468 4.917 0 40 HJAB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 408980465 RCTVIJCDUNKURE-QFIPXVFZSA-N 422.550 4.660 0 40 HJAB CCCOc1ccc(CN(CCC)C(=O)NCc2ccc(F)cc2F)cc1OC 520192419 WSQZQJLTCTWHAI-UHFFFAOYSA-N 406.473 4.884 0 40 HJAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Nc1ccc2c(c1)OCCCO2 604405453 SYZHJSUSIVBYRT-LJQANCHMSA-N 407.470 4.537 0 40 HJAB biogenic O=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(OC(F)(F)F)cc1 1595911576 ONLAHCCNDYJPLS-UHFFFAOYSA-N 416.384 4.904 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 844968 NSZBUSLVHYGSDJ-STQMWFEESA-N 420.410 4.957 0 40 HJAB COc1ccccc1-n1c(SCC(=O)c2ccccc2)nnc1-c1ccccc1O 915853 QCXGFKJVWDRNON-UHFFFAOYSA-N 417.490 4.624 0 40 HJAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3nc(-c4ccc(F)cc4)cs3)ccc12 935680 GLAXMOZXSLJIOD-ZDUSSCGKSA-N 424.453 4.770 0 40 HJAB CCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3ccc(OCC)cc23)c1 953684 KGDOEEYGKWZGGG-UHFFFAOYSA-N 408.454 4.731 0 40 HJAB O=C(NC[C@@H]1CCC[C@@H](CNC(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 1095597 HHMNNWQPOVHKQC-HZPDHXFCSA-N 419.352 4.960 0 40 HJAB CC(=O)N1c2ccc(-c3csc(NC(=O)/C=C/c4ccccc4)n3)cc2C[C@H]1C 1365529 FFMILJTWDYACHP-KUCQQTCKSA-N 403.507 4.760 0 40 HJAB CCCOc1ccccc1/C=C1/SC(N2CCN(c3ccc(C)cc3)CC2)=NC1=O 1801476 YCQMICUSWGDFKO-OQKWZONESA-N 421.566 4.576 0 40 HJAB COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc(C)cc3)n2)c1 4496467 MFFNFGQZBWOADH-UHFFFAOYSA-N 400.525 4.867 0 40 HJAB CCCSc1nc(NCCCN(C)C)c2c3c(sc2n1)CO[C@@](C)(CC)C3 5157534 MGIMLNZNWKAWQJ-FQEVSTJZSA-N 408.637 4.798 0 40 HJAB CCN(CC)CCn1cnc2c(c1=N)[C@H](c1ccco1)c1ccc3ccccc3c1O2 5347918 XLHLEXDRZQTSFF-NRFANRHFSA-N 414.509 4.736 0 40 HJAB O=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 5768524 SGTRJVVXRMVFJI-UHFFFAOYSA-N 407.034 4.990 0 40 HJAB O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C12CC3CC(CC(C3)C1)C2 5827444 VQQQPYSTLSAWMD-UHFFFAOYSA-N 414.596 4.741 0 40 HJAB CCn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1-c1ccc(OC)cc1 6147946 VSRQXVAGEIIWLJ-UHFFFAOYSA-N 407.539 4.827 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)c1 6478861 COVACUPNENABRL-UHFFFAOYSA-N 412.902 4.921 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cn(CC)c2ccccc12 7459115 XVSVPNJLCJMJGZ-UHFFFAOYSA-N 404.539 4.838 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1 7789774 MLNKKEJAAFTILR-OAHLLOKOSA-N 417.538 4.731 0 40 HJAB O=C(Nc1ccccc1)c1ccc(CN2CCC(C(=O)Nc3ccccc3)CC2)cc1 8004375 MADORMKPBASAFU-UHFFFAOYSA-N 413.521 4.790 0 40 HJAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)Cc1coc2cc(OC)ccc12 8727851 WQKAALHQHLXQJU-UHFFFAOYSA-N 411.483 4.534 0 40 HJAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc21 8958849 XMIJJCQNZJPQKD-UHFFFAOYSA-N 410.514 4.888 0 40 HJAB COc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4OC)cc(=O)c3c2)c1 9660147 PVBSJUOJYFZHON-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB biogenic Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)Oc4ccccc4)ccc32)cc1 10220767 UINXBXZWRANALG-UHFFFAOYSA-N 422.506 4.747 0 40 HJAB O=C(Nc1cccc2ccccc12)c1cccc(NS(=O)(=O)c2ccccc2)c1 10314308 ODBGJWQNUXKAJG-UHFFFAOYSA-N 402.475 4.893 0 40 HJAB CCc1nc2sc([C@H](c3ccccc3Cl)N3CCc4ccccc4C3)c(O)n2n1 12341914 ILKNPSBKDWVQAQ-IBGZPJMESA-N 424.957 4.860 0 40 HJAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1-c1ncc(-c2ccccc2F)o1 12915443 DTXUOZAQGHDVGG-UHFFFAOYSA-N 414.396 4.570 0 40 HJAB Cc1ccccc1NC(=O)COC(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 13578959 CAOVRDLEGWYGTC-UHFFFAOYSA-N 419.506 4.599 0 40 HJAB CC(C)CNC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 13684612 CTIJWGLESYLGKZ-UHFFFAOYSA-N 402.494 4.904 0 40 HJAB CCc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccc(Br)cc12 14123684 VAWMIUKXXIFDNN-UHFFFAOYSA-N 402.244 4.781 0 40 HJAB CC(=O)N(c1nc(/C=C/C(=O)NC[C@H](C)c2ccccc2)cs1)c1ccccc1F 15744481 ZFLLDZGLYADYPE-DBTPVHCXSA-N 423.513 4.900 0 40 HJAB Cc1ccc(NC(=O)CSC2=NC(c3ccccc3)=NCN2c2ccccc2)cc1 15860582 XKEUUIINTRMRFX-UHFFFAOYSA-N 414.534 4.947 0 40 HJAB O=C(Nc1ccc(S[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1)C1CCCCC1 17088045 SMFDOCSDADSDIS-FQEVSTJZSA-N 408.523 4.630 0 40 HJAB O=C(COc1cccc2ccccc12)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 17093003 VPXQVYZCFQLRNB-UHFFFAOYSA-N 422.440 4.658 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2cccs2)c(C)c1 17208608 CLHJMUALXPMSGA-UHFFFAOYSA-N 424.551 4.721 0 40 HJAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(C[C@H]2CC=CCC2)C1 19236811 XOXJGZHJMGRMII-HWBMXIPRSA-N 403.570 4.929 0 40 HJAB COc1cc2c(cc1CN[C@@H](Cc1cccs1)c1nc(C)c(C)s1)OCO2 19559627 WRJQEDVZVLWWLE-INIZCTEOSA-N 402.541 4.632 0 40 HJAB COc1ccc(-c2ccccc2)cc1NCc1cc2cc(OC)c(OC)cc2[nH]c1=O 19559686 OBFXKSIDKYDEQZ-UHFFFAOYSA-N 416.477 4.833 0 40 HJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1ccncc1 21925184 HJOCFRYMZVZORJ-UHFFFAOYSA-N 402.885 4.860 0 40 HJAB C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)[C@H]1CCCO1 27873411 LZGJTEMWSDYURM-IIBYNOLFSA-N 409.917 4.549 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 30852899 YKYQRRROEIZSLK-XDHUDOTRSA-N 420.534 4.853 0 40 HJAB COc1ccc(CN(C)C(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 30946138 LPXUERPNYRAPAX-UHFFFAOYSA-N 421.368 4.873 0 40 HJAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(OC[C@@H]2CCCO2)c1 32903177 UJIRGJIFFVOYAS-FQEVSTJZSA-N 409.482 4.928 0 40 HJAB Cc1noc(CSc2ccccc2C(=O)Nc2nc3c(s2)CCCCC3)n1 32907950 GMLUZVRLWFBGAC-UHFFFAOYSA-N 400.529 4.648 0 40 HJAB Cc1ccc(F)cc1NC(=O)CSc1ncnc2c(-c3cccc(F)c3)c[nH]c12 33291878 BYEOEPFUBBUDAQ-UHFFFAOYSA-N 410.449 4.942 0 40 HJAB CCCCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 39755995 JAEWWNINXABAKT-UHFFFAOYSA-N 410.499 4.595 0 40 HJAB COc1cc(NC(=O)c2cc3cc(Br)ccc3[nH]2)c(OC)cc1Cl 40061910 YTJPBBSQJRRHPJ-UHFFFAOYSA-N 409.667 4.853 0 40 HJAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cnc(-c2ccccc2)s1 40132050 HOHKVEQUJPMBCX-UHFFFAOYSA-N 403.463 4.585 0 40 HJAB Cc1cn2c(=O)cc(COc3cc(NC(=O)c4ccccc4C)ccc3C)nc2s1 41077367 NKTHDRVESBTSQJ-UHFFFAOYSA-N 419.506 4.513 0 40 HJAB CSC(SC)=C1CCC[C@@H]2C1=NN(C(=O)CCC(=O)O)[C@H]2c1ccccc1 51329768 OHBBJEPGVKVFRN-KUHUBIRLSA-N 404.557 4.528 0 40 HJAB COc1cc(NCC(=O)N2CC[C@H](C)Sc3ccccc32)c(OC)cc1Cl 57856286 WGYRPSBVHJPHRL-ZDUSSCGKSA-N 406.935 4.687 0 40 HJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C)c(F)c3)oc12 67295941 JTGQBEYTNDJLFC-GFMRDNFCSA-N 409.442 4.830 0 40 HJAB Cc1cc(C)cc(C[C@H](C(=O)O)[C@@H](C)C(=O)Nc2ccc(C)c(Br)c2)c1 71405987 CEMHFLMOVGIPSW-QAPCUYQASA-N 418.331 4.892 0 40 HJAB Cc1ccc(F)cc1NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 71761618 GWROTKXLVAEOME-UHFFFAOYSA-N 421.563 4.508 0 40 HJAB CN(C(=O)C1(c2ccc(Br)cc2)CC1)c1ccc(-c2ccccc2)nn1 79061302 CYFRLEXAPTXQKT-UHFFFAOYSA-N 408.299 4.601 0 40 HJAB O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1ccc(OC(F)(F)F)cc1 90613662 OSDZOJWZAARKHV-INIZCTEOSA-N 413.442 4.720 0 40 HJAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 96119020 URJURYFPFQSEOH-HNNXBMFYSA-N 422.535 4.941 0 40 HJAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc(C)c(C)c1 101148177 ULMDXZXJGBICPC-UZLBHIALSA-N 417.303 4.844 0 40 HJAB COc1ccc([C@@H]2CC3=Nc4nonc4N[C@H](c4ccccc4F)C3=C(O)C2)cc1 102743248 XFMNQLSYTOGMIV-ZUOKHONESA-N 406.417 4.846 0 40 HJAB O=C(COc1ccc(Br)cc1)NCCSCc1ccccc1Cl 218813389 QIXDGGQZBRMYPJ-UHFFFAOYSA-N 414.752 4.531 0 40 HJAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1nc(-c2ccccc2Cl)no1 219049337 BLPNKEQASLGNNG-AWEZNQCLSA-N 407.857 4.627 0 40 HJAB CCCCc1ccc(NC(=O)[C@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 220544295 WUZGJTRBSZZIQR-NRFANRHFSA-N 416.587 4.829 0 40 HJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(N(C)C)cc2)S1 222623302 YNDQMVXMFNNXHA-XGRCMKMKSA-N 403.555 4.528 0 40 HJAB CCSc1ccccc1NC(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 222648649 KEHHINNUDZHQBX-UHFFFAOYSA-N 420.600 4.546 0 40 HJAB COc1ccccc1N1CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1 222682790 KGROWWALOJSCPK-UHFFFAOYSA-N 404.963 4.570 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 223032437 CJORXJNTYYSODB-JOCHJYFZSA-N 424.585 4.633 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1 223035933 OSLWMNHMHWQSDJ-NRFANRHFSA-N 408.586 4.824 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1Cc1ccccc1 223378592 HKGGTLQMRHQATQ-PKTZIBPZSA-N 414.534 4.697 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCC(C)C)c1ccccc1 223411599 ONSZFEPBQDZDQQ-JOCHJYFZSA-N 400.950 4.982 0 40 HJAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223537925 HGMWNYOLMBXSAA-XMSQKQJNSA-N 414.977 4.995 0 40 HJAB Cc1ccc(CN(C(=O)CSCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223807799 NWCLQHIJMFEBFQ-FQEVSTJZSA-N 424.610 4.704 0 40 HJAB CC(C)(C)c1ccc(OCCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 223980532 RZPZOYOGJYHGED-UHFFFAOYSA-N 402.343 4.648 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccc2Cl)cc1 224027132 XIJSKAXVHLNZAP-MOSHPQCFSA-N 410.926 4.797 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 224621250 WLYILKFUYTYXHL-HSZRJFAPSA-N 424.585 4.570 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)ccc1OCC(C)C 225832077 WBZCJMWUXBULKF-UZUQRXQVSA-N 405.535 4.822 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1)c1cccc(F)c1 247515000 VFWHJSAJTQKKPG-HYBUGGRVSA-N 421.491 4.743 0 40 HJAB CC(C)[C@@H]1C[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)CO[C@H]1c1ccccc1 257266101 MBPIEQZVNWGVPN-KMDXXIMOSA-N 413.583 4.891 0 40 HJAB Cc1nc(C)c(C(=O)N2[C@@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)N3)s1 257305747 SRIHSYVUQGUWLC-ROLQDKDTSA-N 409.599 4.506 0 40 HJAB CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C2CC2)CC1 257316518 VFYOPVQUDBHHKY-UHFFFAOYSA-N 422.544 4.579 0 40 HJAB CCOc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1ccccc1Cl 408572334 GGJSJBSXTRNVRC-QGZVFWFLSA-N 405.947 4.762 0 40 HJAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c1 408628945 YMWOAXZQUSIKRK-UHFFFAOYSA-N 403.935 4.939 0 40 HJAB Cc1c(NC(=O)COC(=O)c2ccc(Cl)cc2)ccc(Br)c1Cl 408643292 ABCZVKVWWANUPK-UHFFFAOYSA-N 417.086 4.860 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC=C[C@H](C)[C@H]2C1=O 408671787 LEKPZBHZKPDGRU-SAWYMBPVSA-N 416.521 4.765 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(F)cc2)cc1 408697632 IVLNDAUAXAGJLP-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB CCCCSc1nc2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2s1 408750540 OPYLPWAJLFPZPA-SYWGBEHUSA-N 402.541 4.650 0 40 HJAB COc1ccc(Br)cc1/C=C1\SC(=O)N(CCc2ccccc2)C1=O 409005866 GTYUZXDOHHVKQU-ATVHPVEESA-N 418.312 4.737 0 40 HJAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)c4ccc5c(c4)OCCO5)c23)C1 781905 PTTLYKNHUVTDKY-LBPRGKRZSA-N 412.536 4.562 0 40 HJAB COc1ccccc1NC(=O)CSc1nnc2cc(C)c3cc(C)cc(C)c3n12 902962 VEZVJQQFPVJEBD-UHFFFAOYSA-N 406.511 4.547 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc3c(C)cc4ccc(C)cc4n23)cc1 903041 KJGXSJBDESTUQB-UHFFFAOYSA-N 406.511 4.629 0 40 HJAB COc1ccc(NC(=O)[C@@H](C)n2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 937725 GINVYIJVRGFTQR-OAHLLOKOSA-N 419.506 4.642 0 40 HJAB CC(C)C[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br 2065857 BLHDLBZVGKBGJM-WDEREUQCSA-N 407.146 4.530 0 40 HJAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 3242454 BJTCDUQLSRFODJ-UHFFFAOYSA-N 408.504 4.619 0 40 HJAB COc1ccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 3295734 JOBNBGADVLLDEN-UHFFFAOYSA-N 423.309 4.759 0 40 HJAB COc1cccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2Cc2ccco2)c1 3440067 PMYRFNHUBVBUDU-UHFFFAOYSA-N 423.469 4.709 0 40 HJAB COc1ccc(Nc2nnc(SCc3cc(C(C)=O)ccc3OC)s2)cc1 3580307 CXVPEDOAZWBETI-UHFFFAOYSA-N 401.513 4.794 0 40 HJAB CC[C@@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)Cc1cccs1 3625962 MKLKKCFIJALGBZ-QFIPXVFZSA-N 402.560 4.530 0 40 HJAB O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc2c1)[C@H]1CCCO1 4043298 AGDROMOVIYBYPN-QGZVFWFLSA-N 405.233 4.851 0 40 HJAB COc1ccc(NCc2nn3cc(-c4ccccc4)c4c3n2CCCC4)c(OC)c1 4303652 PESKPRVHEREMFU-UHFFFAOYSA-N 402.498 4.768 0 40 HJAB COc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(C)cc2)c1 4518095 LXJSGGCWEKCWAC-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB CC(C)OC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CCCC2 4719189 YKXLTQYXQXEWDO-UHFFFAOYSA-N 412.305 4.800 0 40 HJAB CCOC(=O)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 5024614 MSKLHPDUMOVHGM-UHFFFAOYSA-N 401.557 4.582 0 40 HJAB CCn1c(COc2ccccc2)nnc1SCc1ccc(Br)cc1 5478284 YWZKQPBYGWRMCQ-UHFFFAOYSA-N 404.333 4.932 0 40 HJAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 5866241 RYWZNLWCNRCBPA-NRFANRHFSA-N 415.331 4.714 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2cccc(C)c2)cc1 6204947 KXGJUEAXFMAGNO-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3Cc3ccccc3)CC2=O)cc1 6838511 HNOIJEVQLLWGJH-OAQYLSRUSA-N 414.505 4.668 0 40 HJAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N[C@H]1CCSc2ccccc21 8718399 BBYNONQXHXENAY-FQEVSTJZSA-N 408.571 4.915 0 40 HJAB COc1ccc(C(=O)CCNc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 8782988 UPWLGSQUDHXYHO-SFHVURJKSA-N 402.494 4.871 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccco1 9329088 AXKDCNVCSDSSDW-UHFFFAOYSA-N 424.448 4.944 0 40 HJAB Fc1ccc([C@H]2c3[nH]cnc3CCN2C(=S)Nc2cccc(C(F)(F)F)c2)cc1 9382424 IEPCOEIITXRPMA-SFHVURJKSA-N 420.435 4.912 0 40 HJAB COc1ccc(-n2c(SCCOc3ccc(F)cc3)nnc2-c2ccncc2)cc1 9671058 GKAXTBFAHHTVKT-UHFFFAOYSA-N 422.485 4.648 0 40 HJAB O=C(/C=C/c1c(Cl)nc2ccccn12)N1CCC[C@@H]1c1nc2ccccc2s1 9741505 KXWJMIIJVXRKDT-SIFUEBAJSA-N 408.914 4.974 0 40 HJAB CCN(CC)c1ccc(C[C@@H]2c3ccccc3CN3c4ccccc4C(=O)N[C@@H]23)cc1 11582400 MHYKHABQBMXVEA-AOYPEHQESA-N 411.549 4.949 0 40 HJAB O=C(Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)c1ccc(F)cc1 11613710 OXSQUTLFAJUQKK-UHFFFAOYSA-N 415.453 4.911 0 40 HJAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCCOc1ccccc1 11667369 DJTLNCYFKHXZCR-SFHVURJKSA-N 403.482 4.980 0 40 HJAB CCOc1ccc2nc(SCC(=O)Nc3ccc(Br)c(C)c3)[nH]c2c1 12529816 IACQUARPTYGYIE-UHFFFAOYSA-N 420.332 4.763 0 40 HJAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCCC(c1ccccc1)c1ccccc1 12764206 WSUQTAURTWJCAP-HXUWFJFHSA-N 410.517 4.840 0 40 HJAB COc1ccc([C@H]2Nn3c(nnc3C(C)(C)C)S[C@H]2C(=O)c2ccc(C)cc2)cc1 13150374 BTMRSCOHDHNIBH-UYAOXDASSA-N 422.554 4.535 0 40 HJAB CCc1nn2c(=O)cc(CSc3ccc(C)cc3)[nH]c2c1-c1ccccc1OC 13611896 MMFGGIIHEZGLJY-UHFFFAOYSA-N 405.523 4.861 0 40 HJAB CCn1c(-c2ccco2)nn(CN2CCC[C@@H]2c2ccc(OC)cc2OC)c1=S 14183182 ADBNUKLGZSHQOI-QGZVFWFLSA-N 414.531 4.506 0 40 HJAB CC[C@@H]1CCCCN1Cc1ccc(CNc2cc(C)nc3nc(-c4ccco4)nn23)o1 15780392 MVVWSZIXMPCJFP-QGZVFWFLSA-N 420.517 4.662 0 40 HJAB CC(=O)N1N=C(c2ccc(C)c(C)c2)Sc2c1nc(-c1ccc(C)cc1)n2C(C)=O 16777553 OASHUAVKOUUNHU-UHFFFAOYSA-N 418.522 4.956 0 40 HJAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCN2Cc2cccc(OC(C)C)c2)on1 19122524 NIIPEZZHKQONCO-OAQYLSRUSA-N 421.545 4.630 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)ccc1Cl 19932240 FEHRPDYLJCPILH-LBPRGKRZSA-N 423.918 4.653 0 40 HJAB CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3C[C@@H](C)C[C@H](C)C3)c2c1 20380935 FASFXZWYPVOGDV-ROUUACIJSA-N 424.566 4.949 0 40 HJAB COc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1Br 24460344 IAPWRGRTGGTMIT-UHFFFAOYSA-N 406.301 4.955 0 40 HJAB Cc1ccc(CN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C2CC2)cc1 25293327 NXVHRUIDWAAWMS-UHFFFAOYSA-N 420.534 4.601 0 40 HJAB CCN(C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1)c1ccccc1 26090274 YCXGBRGIQUFWFQ-UHFFFAOYSA-N 421.547 4.592 0 40 HJAB O=C(Cc1ccc(Br)cc1)NCc1cccc(C(=O)Nc2ccccc2)c1 32930251 PVHDHRPVHFOMRI-UHFFFAOYSA-N 423.310 4.560 0 40 HJAB O=C(c1ccc(F)cc1)N1CCC(C(=O)N(Cc2ccccc2)c2ccccc2)CC1 32960991 IKQBPQVKJADSEZ-UHFFFAOYSA-N 416.496 4.911 0 40 HJAB COc1ccccc1NC(=O)COc1cccc(-c2nc(-c3ccc(C)cc3)no2)c1 33012351 UZEBXJPQGAETLZ-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB O=C(NC1CCN(C(=O)c2ccc(-c3ccccc3F)s2)CC1)c1ccccc1 36398563 ZKZJXMBLGPCCJY-UHFFFAOYSA-N 408.498 4.589 0 40 HJAB O=c1c2cnc3c(-c4ccccc4)cnn3c2ccn1CCc1c[nH]c2ccc(F)cc12 40387742 ALWUFRZXOOGNAK-UHFFFAOYSA-N 423.451 4.574 0 40 HJAB C[C@@H]1CCc2c(sc3nc(-c4cccnc4)nc(N[C@H](C)C(=O)NC(C)(C)C)c23)C1 58003985 OZATVCHJPPNZBM-ZIAGYGMSSA-N 423.586 4.593 0 40 HJAB O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1ccc(Cl)cc1F 67293328 KARQGGQSIDGGOW-DAFNUICNSA-N 409.804 4.811 0 40 HJAB O=C(c1ccccc1)N1CCCCC[C@H]1C1CCN(c2cnc3ccccc3n2)CC1 69968861 FCTMFMVARXMRBB-DEOSSOPVSA-N 414.553 4.931 0 40 HJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2C(=O)COc2ccccc2)n1 72376926 OVEWMCXXVSECQG-FQEVSTJZSA-N 422.916 4.512 0 40 HJAB CCOc1ccc(-c2nc(N3CCCCCC3)sc2CC(=O)O)cc1OCC 95097225 DUTTYJGWWXCHOJ-UHFFFAOYSA-N 404.532 4.615 0 40 HJAB COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)c2cccs2)cc1 95945198 MLXVSBFHOYFYGD-HXUWFJFHSA-N 422.506 4.765 0 40 HJAB Cc1cccc(NC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)c1C 96557065 MISSOZOWDXQOBS-XSFVSMFZSA-N 401.495 4.655 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3c(C)cc(Br)cc3C)CC2=O)cc1C 103716754 QXHKMBIRCQGBRU-INIZCTEOSA-N 415.331 4.674 0 40 HJAB O=C([C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC[C@H]1c1ccsc1 106078174 QGZOJZOHDLBUKU-PBHICJAKSA-N 409.477 4.742 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O)Nc1ccccc1 210806219 ANEBLNWLIPGLET-NTEUORMPSA-N 407.278 4.668 0 40 HJAB O=C(NCc1cccc2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 222848945 TXCNHUAOWNDCCM-UHFFFAOYSA-N 416.502 4.571 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C 223745142 SZPBTAKDOQPRGD-QHCPKHFHSA-N 424.585 4.714 0 40 HJAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c1 223943753 PBTXLVFCHFHMQV-LJQANCHMSA-N 422.550 4.904 0 40 HJAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 225703277 UJHOMQISWFMPBJ-UHFFFAOYSA-N 417.339 4.752 0 40 HJAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)c(C)c1 225791120 OJUHYINKMWAJEC-QGZVFWFLSA-N 400.544 4.542 0 40 HJAB Cc1cc(N2CCCCC2)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 225919113 QMKDQPKNQYFUKP-UHFFFAOYSA-N 407.543 4.522 0 40 HJAB NC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 226341009 WQGMFUPXACNNMY-ZZXKWVIFSA-N 401.087 4.833 0 40 HJAB Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2cncc(Nc3ncccc3C)n2)cc1 257262853 LNENAQUXGPGEMC-OAQYLSRUSA-N 415.541 4.873 0 40 HJAB CCC(C)(C)NC(=O)[C@@H]1C[C@H](c2ccn(-c3ccccc3)n2)[C@H](c2cccc(F)c2)N1 257264179 LTFYOKQNYSODGS-PUHATCMVSA-N 420.532 4.503 0 40 HJAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)c1 408640803 IUQZJJGLZPZEFC-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB COc1ccc(OC)c(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn23)c1 408679965 XGYADOGGHJMGGL-UHFFFAOYSA-N 414.461 4.753 0 40 HJAB COc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 408697768 JGHDDQPXASGWRM-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB COc1ccc(C(=O)Nc2ccc3sc(C(=O)N4CCCCC4)cc3c2)cc1OC 408713258 QECWZVABBYETAT-UHFFFAOYSA-N 424.522 4.797 0 40 HJAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1 408785806 CBPJDNXEELMDQR-UHFFFAOYSA-N 422.978 4.895 0 40 HJAB CCOc1c(I)cc(CNc2cccc(C)c2C)cc1OC 409112115 KEVQWMDCORCQFH-UHFFFAOYSA-N 411.283 4.927 0 40 HJAB O=C(O)CN1C(=O)S/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O 409140899 GSZGZASWBZDCQF-UDWIEESQSA-N 419.458 4.540 0 40 HJAB COc1ccc(OC)c(C(=O)CCC(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1 409198157 YQOKNPFSIUHQQA-UHFFFAOYSA-N 422.506 4.528 0 40 HJAB O=C(CCCOc1ccc(F)cc1F)Nc1ccc(-c2noc(C(F)F)n2)cc1 572130937 PLGXFKCXYJGYJY-UHFFFAOYSA-N 409.339 4.750 0 40 HJAB CCNC(=O)CCC/C=C/C[C@H]1[C](O)CC(O)=C1/C=C/[C@@H](O)CCc1ccccc1 1560410233 SQFYWDMVMDOYSY-YTDUVEENSA-N 412.550 4.525 0 40 HJAB Cn1cc(-c2ccc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)cn1 1889299304 XMAFOITYMLXEIT-UHFFFAOYSA-N 407.945 4.911 0 40 HJAB Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccc(F)cc1 1361081 UKRVOWRIWLYZRU-UHFFFAOYSA-N 414.521 4.726 0 40 HJAB CCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 2088165 KPRPUMOJEZXLMR-TZMCWYRMSA-N 421.250 4.990 0 40 HJAB CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)c12 2092424 WNKHATFLYYUMCW-VLIAUNLRSA-N 417.502 4.509 0 40 HJAB biogenic CCc1cc(=O)oc2cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 2150468 LGFWKXVUDHYMHO-NRFANRHFSA-N 423.465 4.527 0 40 HJAB biogenic Cc1ccccc1-n1nnnc1SCC(=O)Nc1c(C(C)C)cccc1C(C)C 3304099 JMAJHMLFODQBTF-UHFFFAOYSA-N 409.559 4.948 0 40 HJAB Cc1ccc2nc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)sc2c1 3323282 KLFMRVKMDHGJQZ-UHFFFAOYSA-N 407.495 4.970 0 40 HJAB Cc1ccc(Cl)c(NC(=O)COC(=O)CSCc2ccc(F)cc2)c1Cl 3450791 RYXQESOQKNFFDQ-UHFFFAOYSA-N 416.301 4.856 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C 3850314 VCWDOHJFKGOMRJ-CQKGUADHSA-N 402.575 4.983 0 40 HJAB COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)c1OC 4088753 HJTJUWUVAZASOY-UHFFFAOYSA-N 415.902 4.542 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cccnc1 4161413 GRBQIPGJKWPMIH-UHFFFAOYSA-N 401.923 4.524 0 40 HJAB C[C@H](C(=O)N1CCCCCC1)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 4747655 DGEQBRZNDBKFGR-KOSHJBKYSA-N 415.537 4.515 0 40 HJAB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2ccc(NC(=O)NC3CCCCC3)cc2)C1 4949780 TUDXFVSBNYXLLX-VQTJNVASSA-N 413.518 4.527 0 40 HJAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)C1 5412649 FTZLPFMJGUEJMY-LJQANCHMSA-N 402.494 4.626 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)C3=NN(c4ccccc4)C(=O)CC3)n2)c(C)c1 5579087 LTJGRNGWCLBSOB-UHFFFAOYSA-N 418.522 4.857 0 40 HJAB COc1ccc(F)cc1C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 5890045 HIKJIBHQEHWFKS-UHFFFAOYSA-N 405.381 4.682 0 40 HJAB Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NC1CCCC1 6127380 GLPKRAMOGVXEQD-UHFFFAOYSA-N 402.494 4.838 0 40 HJAB CC1(C)N=C(SCC(=O)Nc2ccc(F)cc2F)C(c2ccc(Cl)cc2)=N1 6818764 BCLHVVNEBRRDJU-UHFFFAOYSA-N 407.873 4.927 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1/C=C/c1nc2sc3c(c2c(=O)[nH]1)CCCC3 6908641 HPVMPJHQBVYENW-OUKQBFOZSA-N 416.550 4.895 0 40 HJAB O=C(/C=C/c1cccs1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1 7424497 DEGKFWCSLJKYTK-BQYQJAHWSA-N 412.515 4.830 0 40 HJAB COc1ccc(Br)cc1-c1nc(COC(=O)c2ccoc2C)cs1 7850218 MLSYVFCIVMWFEP-UHFFFAOYSA-N 408.273 4.840 0 40 HJAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2F)c(C)n1Cc1ccccc1 7934423 PUBFYIUOGVLABB-MRXNPFEDSA-N 412.436 4.615 0 40 HJAB COc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1C(C)C 8041581 YNKZLFPBIPMVQQ-UHFFFAOYSA-N 413.992 4.684 0 40 HJAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(-c2nc3ccccc3s2)cc1 8192909 FWFFHCGIVQQNAY-UHFFFAOYSA-N 402.475 4.916 0 40 HJAB O=C(Cc1cccc2ccccc12)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 9036633 ODLARKIFFRXJCD-UHFFFAOYSA-N 410.473 4.813 0 40 HJAB O=C(NCc1ccco1)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O 9225153 DUHCJRPBWHWZSR-UHFFFAOYSA-N 422.440 4.677 0 40 HJAB Cc1cc(C)c(NC(=O)[C@H](C)SC2=NN/C(=C3\C=Nc4ccccc43)O2)c(C)c1 9375876 JQPVVKWWHVGYGR-MUNYZGMTSA-N 406.511 4.648 0 40 HJAB Cc1nc(SCC(=O)NCCc2c[nH]c3ccccc23)c2c(C)c(C)sc2n1 11071424 XNRLYHUNZICQJD-UHFFFAOYSA-N 410.568 4.549 0 40 HJAB COc1cccc(C(=O)c2c(N)c(C(=O)Nc3cccc(Cl)c3)c3ccccn23)c1 12342123 IJXROVJDQSGAMB-UHFFFAOYSA-N 419.868 4.667 0 40 HJAB COC[C@@H](C)n1c(SCCCOc2ccc(Cl)cc2)nc2ccccc2c1=O 12925737 QYLJHIWIBFHVBU-OAHLLOKOSA-N 418.946 4.819 0 40 HJAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3ccccc3F)cc2n1 13225477 VBLMXKNEYQZEBI-INIZCTEOSA-N 406.383 4.563 0 40 HJAB COc1ccc(NC(=O)c2ccc3nc(-n4c(C)ccc4C)sc3c2)c(OC)c1 13732314 ZHRPZLJMMWYFNH-UHFFFAOYSA-N 407.495 4.973 0 40 HJAB O=C1c2cc(Cl)ccc2N[C@]2(C(=O)Nc3ccccc32)N1Cc1ccc(Cl)cc1 14077515 KUXJRDGOEIYQEY-QFIPXVFZSA-N 424.287 4.866 0 40 HJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CC1=O 14095099 LXGLHFMJJJVUIE-KRWDZBQOSA-N 411.933 4.885 0 40 HJAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)ccc21 15243797 ZXHLIAVSGQFFMP-UHFFFAOYSA-N 422.506 4.579 0 40 HJAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)c1C 15304068 ZCUIZCRXPJRJEY-UHFFFAOYSA-N 420.460 4.942 0 40 HJAB Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)c4cc(C(C)C)no4)C3)noc2n1 19568785 SIVPBDNRCHIOMZ-LBPRGKRZSA-N 422.407 4.681 0 40 HJAB CCN(C(=O)CSc1nccn1-c1cccc(OC)c1)c1nc2ccccc2s1 20069411 XCPFJTRIDPBIDA-UHFFFAOYSA-N 424.551 4.636 0 40 HJAB Cc1cccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)c1 23127016 ZUGFPEXNGLOCFV-UHFFFAOYSA-N 421.547 4.701 0 40 HJAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cc(Cl)ccc1Oc1ccccc1 23687701 PHUHTOXVTJBYMX-UHFFFAOYSA-N 405.841 4.550 0 40 HJAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 24829211 UIQPRSJCCJFFOM-DHZHZOJOSA-N 409.555 4.734 0 40 HJAB COc1ccc(OC)c(CN(C(=O)c2ccc(C3SCCS3)cc2)C2CC2)c1 25805960 XZHADSDJJUXUSX-UHFFFAOYSA-N 415.580 4.987 0 40 HJAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)c1ccc(Br)o1 28220963 RAEVITHYOJPHOT-UHFFFAOYSA-N 408.683 4.809 0 40 HJAB COc1ccc([C@H]2SCCN2C(=O)Nc2ccc(F)cc2)cc1Br 28232310 OCPKSKAGLQDCPL-MRXNPFEDSA-N 411.296 4.876 0 40 HJAB O=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1ccc(Br)o1 28247166 BVUBOVOVOSHRDB-UHFFFAOYSA-N 415.074 4.846 0 40 HJAB COc1ccc(-c2noc(-c3sc(NC(=O)c4ccccc4F)nc3C)n2)cc1 31814338 XFUGLKKZNDQEBY-UHFFFAOYSA-N 410.430 4.569 0 40 HJAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3cc(-c4ccccc4)no3)c12 32927977 XBGMWXWOJLQMKW-UHFFFAOYSA-N 423.476 4.529 0 40 HJAB c1ccc(CN2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)nc1 35425518 LFDHUSXRCLUTGU-FQEVSTJZSA-N 405.502 4.575 0 40 HJAB biogenic,in-vitro c1nc(Sc2nnc(NC[C@@H]3CCCO3)s2)c2c3c(sc2n1)CCCCC3 40004984 WILFLENNBAXXBX-NSHDSACASA-N 419.601 4.554 0 40 HJAB CCOc1ccc(-c2cc(C(=O)NC[C@H](C)Oc3ccc(Cl)cc3)no2)cc1 41155632 BGNRVBCEWSFAKU-AWEZNQCLSA-N 400.862 4.591 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccccc4)c3)cc2)cc1 49422254 YAVDISHNDGKBNW-UHFFFAOYSA-N 410.477 4.744 0 40 HJAB Cc1nc2ccc(C(=O)N3CCC4(CC3)Nc3ccccc3-n3cccc34)cc2nc1C 72346487 XMHGQDOQPWFMCF-UHFFFAOYSA-N 423.520 4.594 0 40 HJAB C[C@@H](NC(=O)c1ccccc1NCc1cccnc1)c1cccc(Br)c1 78995476 XCJPBZHDFTXTCV-OAHLLOKOSA-N 410.315 4.947 0 40 HJAB Cc1cc(Br)c2ccccc2c1NC(=O)Cc1cn2ccsc2n1 84083314 GEIISFMDMUJESP-UHFFFAOYSA-N 400.301 4.801 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cn3cc(C)nc3s2)c2ccccc2)c1 95455616 MDCHEKFHSRPJSV-HXUWFJFHSA-N 419.506 4.858 0 40 HJAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCCN2Cc2cccc(F)c2)C1 96071327 UWEJYIINOUUCJK-QHCPKHFHSA-N 400.925 4.679 0 40 HJAB COc1ccc(-c2nc(C3CCN(Cc4ccoc4)CC3)cc3c2ncn3C)cc1 96099978 BQABYGQHZNYSLW-UHFFFAOYSA-N 402.498 4.617 0 40 HJAB C[C@@H](NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)[C@@H]1C[C@@H]2CC[C@@H]1C2 101988251 DVINDJUGXNNONL-SYQHCUMBSA-N 418.419 4.563 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219612552 BVVNYSTWAIIGFL-RTBURBONSA-N 403.906 4.925 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 222607964 JQHODSMNZWJIAC-HNNXBMFYSA-N 403.891 4.663 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 223081917 HQIDWPMDIQTMNY-NRFANRHFSA-N 424.585 4.831 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 223135741 RTFATHZPUZKORG-OAQYLSRUSA-N 412.599 4.891 0 40 HJAB CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccccc1Cl)c1ccccc1 223472230 VLPWKGBQXXXQAV-QHCPKHFHSA-N 424.903 4.885 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 223731999 QLVDBQOMXLKRTF-DEOSSOPVSA-N 424.585 4.714 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1C 225004221 KMGMHTFONWLQBF-HSZRJFAPSA-N 422.569 4.630 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 225196279 ZGLPBWROADGATQ-OAQYLSRUSA-N 400.950 4.606 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCSc2ccc(C)cc2)cc1Cl 225286919 UILYKLMTOOXILI-UHFFFAOYSA-N 408.976 4.904 0 40 HJAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1cnn(-c2ccccc2)c1C 225626433 SERZLNNRLNYCSE-UHFFFAOYSA-N 409.449 4.945 0 40 HJAB CCOC(=O)c1cc(NC(=O)COc2cccc(C(F)(F)F)c2)ccc1Cl 225812531 JAPDXXGDXMGGDB-UHFFFAOYSA-N 401.768 4.553 0 40 HJAB Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 225972151 IFESUVYSLLMCAW-IBGZPJMESA-N 423.630 4.962 0 40 HJAB O=C(CCCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21 257199092 SCPFIOQUNAJIQW-MZAVPQGISA-N 417.597 4.912 0 40 HJAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)NC[C@@H]4CCCO4)CCOCC3)cc2)c1 257236397 HBZAUHYPJIKWTL-DEOSSOPVSA-N 407.554 4.605 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCO[C@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 257341723 ZLQGRSQMLVSXKY-QHCPKHFHSA-N 424.903 4.608 0 40 HJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408680881 SIDULRPEUIXARA-QFIPXVFZSA-N 420.484 4.594 0 40 HJAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1Cl 409068352 SGDPYHPWTILOCA-UDWIEESQSA-N 409.848 4.671 0 40 HJAB COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(Br)c1O 409105329 IMMQHTDLRRNLDQ-WCIBSUBMSA-N 414.177 4.675 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(C)c3O)[C@@](O)(C(F)(F)F)[C@H]2C1 409364585 XPWWXZDDODFYTR-AFBRZQFHSA-N 412.452 4.616 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)c1nccn1-c1ccccc1 569932606 HTWAWCYOTIUOHD-AWEZNQCLSA-N 406.873 4.980 0 40 HJAB O=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 588928369 GFMUTLCYEWWCCN-DLBZAZTESA-N 406.452 4.546 0 40 HJAB O=C(c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)N1C[C@H]2CCC[C@@H]21 606401512 WLCLLQAAWHWSGW-DOMZBBRYSA-N 418.444 4.639 0 40 HJAB Cc1cc(C)cc(OCC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1 606422514 ZYHHBRVXLKGZJG-UHFFFAOYSA-N 411.505 4.851 0 40 HJAB CC(C)(CNC(=O)c1c[nH]nc1-c1c(F)cccc1F)c1ccc(F)cc1Cl 1543556849 DALNBGKLMINWKS-UHFFFAOYSA-N 407.823 4.855 0 40 HJAB Cc1cc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cc(C)c1Cl 657452 SNUBXNNPOAFAKM-UHFFFAOYSA-N 420.962 4.794 0 40 HJAB Cc1cccc2cc(CN(Cc3ccco3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c12 874537 WVULSLDWNJKZGM-UHFFFAOYSA-N 421.497 4.968 0 40 HJAB Cc1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc(C)c4C)cc3n2)cc1 1410568 OHYIOGPZYUNXDN-UHFFFAOYSA-N 400.482 4.672 0 40 HJAB CCOC(=O)C1=C(NC(=O)Cc2ccccc2)c2ccccc2CC12CCCCC2 2117668 BFSCFGATSUUJPW-UHFFFAOYSA-N 403.522 4.826 0 40 HJAB COc1ccccc1-n1c(SC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2219224 POGQPHRWOXCQCG-UHFFFAOYSA-N 404.535 4.998 0 40 HJAB Cc1sc2nc(CN3CCCCC3)nc(Nc3ccc4c(c3)OCCO4)c2c1C 2637180 NQAQMLZLENJKCH-UHFFFAOYSA-N 410.543 4.809 0 40 HJAB COc1cccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3cc(C)ccn23)c1OC 4790914 PHTLZXPRLOSSKX-UHFFFAOYSA-N 405.429 4.718 0 40 HJAB Cc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc3ccccc3c2)cc1 4854105 GPWPVINVGCETOZ-DEOSSOPVSA-N 402.519 4.744 0 40 HJAB NC(=O)c1c(NC(=O)CCSc2ccc(Cl)cc2)sc2c1CCCCC2 5191877 DLUFURZCWQMCCA-UHFFFAOYSA-N 408.976 4.890 0 40 HJAB Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(C3CCCCC3)C2=O)cc1 5274948 OWYAIUAYNACGDO-NRFANRHFSA-N 423.488 4.633 0 40 HJAB c1ccc(CN2[C@@H](n3nnc4ccccc43)CCC[C@H]2n2nnc3ccccc32)cc1 6475069 LPYAYUKCSXCEBZ-PSWAGMNNSA-N 409.497 4.560 0 40 HJAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 7667089 KBDIYRMVLCXPMY-INIZCTEOSA-N 414.571 4.896 0 40 HJAB CCN(C(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O)c1ccccc1 7671922 RNQSUTUFAPMKEV-UHFFFAOYSA-N 409.536 4.548 0 40 HJAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCCc1ccccc1F 7987335 MWVQGELZPJGLGS-UHFFFAOYSA-N 415.468 4.660 0 40 HJAB C[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1cc2ccccc2o1 8133931 JLNSJYITKJQFOO-IENJSVCTSA-N 402.494 4.562 0 40 HJAB CC(C)N(C(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C)C(C)C 8886396 UVOJUOHHMMACGD-HKUYNNGSSA-N 415.607 4.829 0 40 HJAB COc1cccc(C(=O)Nc2nc(-c3ccc(OC)c(Br)c3)cs2)c1 9284160 XRFXJEGRNZERQZ-UHFFFAOYSA-N 419.300 4.842 0 40 HJAB O=C1c2ccccc2N[C@@H](c2ccc(-n3cnc4ccccc43)cc2)N1C[C@@H]1CCCO1 9339198 HQSLLIUVIJVRKM-NBGIEHNGSA-N 424.504 4.771 0 40 HJAB Cc1ccnc(SCc2nc3cc(NC(=O)Nc4ccccc4)ccc3n2C)n1 9421762 KUBSTLCGGPJIOA-UHFFFAOYSA-N 404.499 4.608 0 40 HJAB O=C(NC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 11227333 FWGJWRHXQGTZJP-UHFFFAOYSA-N 412.533 4.630 0 40 HJAB Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCC2)cc1 11667454 GQRXCAJCLGBWDF-UHFFFAOYSA-N 409.555 4.528 0 40 HJAB COc1ccc(CCNc2ncc(-c3ccsc3)c(-c3cccnc3)n2)cc1OC 12144369 YSZFWLBHBURTLZ-UHFFFAOYSA-N 418.522 4.939 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)c2cccc(NC(=O)C(C)(C)C)c2)c(OC)c1 13022272 PNUZABVJJIFAMH-HXUWFJFHSA-N 410.514 4.666 0 40 HJAB Clc1ccc(CN2CCN(c3nc(-c4cccnc4)nc4ccccc34)CC2)s1 13117510 ZJQBCYXQORLGKN-UHFFFAOYSA-N 421.957 4.729 0 40 HJAB Cn1c(-c2ccncc2)nn(CN2CCc3sccc3[C@H]2c2ccccc2)c1=S 14201255 CWNVNMMEDFEETJ-HXUWFJFHSA-N 419.579 4.680 0 40 HJAB CCOc1ccc([C@]2(O)CN(c3cccc(C(F)(F)F)c3)C3=[N+]2CCCCC3)cc1 15230862 IEOKOTNTQXTDGS-JOCHJYFZSA-N 419.467 4.754 0 40 HJAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1cccc(Cl)c1 17093337 GXPLYFKBOPUWMK-UHFFFAOYSA-N 422.897 4.978 0 40 HJAB CC1CCN(C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)CC1 17882727 QSEDWORKUNUMRI-HNNXBMFYSA-N 409.559 4.500 0 40 HJAB Cn1cc(Cl)c(C(=O)N2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)n1 19290003 FPYXGJCBSNICET-KRWDZBQOSA-N 402.857 4.625 0 40 HJAB CCOCCN1CCN([C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 19369482 CPMIJBSXELTQTD-FQEVSTJZSA-N 402.991 4.743 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 20366429 KIAGEMCQENPSBI-UHFFFAOYSA-N 424.810 4.559 0 40 HJAB CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2ccccc2OC)sc1C 21825722 LMERWCRGDCIJQC-UHFFFAOYSA-N 424.522 4.526 0 40 HJAB CCn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nnc1C1CC1 23053536 DXGGSPJGZKCNLM-UHFFFAOYSA-N 404.539 4.731 0 40 HJAB Cc1cc(N2CCCC2)ccc1NC(=O)CCc1c(C)nn(-c2ccccc2)c1C 24860711 DNDHRTZCIJSUFQ-UHFFFAOYSA-N 402.542 4.969 0 40 HJAB O=C(Nc1ccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1)C1CC1 25898275 YXHCNPJAIDJVCO-JOCHJYFZSA-N 402.519 4.885 0 40 HJAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 25989963 IHLAVVLRVKQMSB-FQEVSTJZSA-N 408.885 4.945 0 40 HJAB CCOc1ccc2nc(NC(=O)c3cc(-c4ccc5c(c4)C[C@@H](C)O5)on3)sc2c1 28286937 KHQCEXMBNLJCGI-GFCCVEGCSA-N 421.478 4.926 0 40 HJAB COc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 28293641 BQEPVVYFDNIURP-INIZCTEOSA-N 413.905 4.616 0 40 HJAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccc(OCc2cn3ccccc3n2)c1 29353305 YRVFYBUQCTWSLU-UHFFFAOYSA-N 415.478 4.617 0 40 HJAB O=C(CCn1cnc2ccccc21)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 29997644 WFIDWSZNRVWAAW-LJQANCHMSA-N 414.534 4.918 0 40 HJAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)COc1ccccc1Cl 32094076 AKGPTRZAZUUFAS-UHFFFAOYSA-N 409.829 4.569 0 40 HJAB COc1ccc2nc(C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4s3)ccc2c1 32868841 WLPZMSKQXVLUAO-QGZVFWFLSA-N 419.506 4.679 0 40 HJAB COc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccc(C)cc3)no2)cc1 33324971 LNRAIIMURVQNNT-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1NC(=O)c1ccccc1 40087019 PESNCSADIIBJDR-QHCPKHFHSA-N 418.468 4.600 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1cccc(NC(=O)c2ccc(Br)o2)c1 40140194 ZOTDYIJWAHZVAJ-UHFFFAOYSA-N 421.197 4.825 0 40 HJAB C[C@H](Nc1nc(-c2ccccc2)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 40149324 FELKKDWXQOBBMS-INIZCTEOSA-N 418.522 4.841 0 40 HJAB Cc1cc(C)c2c(n1)sc1c(N3CCN(Cc4ccccc4Cl)CC3)ncnc12 57135233 DPWHWIYFNKEXGB-UHFFFAOYSA-N 423.973 4.832 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cc(F)c(N(C)C)c(F)c1 60016796 WFRZNBBPFABBJN-UHFFFAOYSA-N 418.875 4.798 0 40 HJAB CCOc1ccc([C@H](CNC(=O)[C@H](CC)OCC)c2c[nH]c3ccccc23)cc1OC 60032201 COPBLVUGOXFIHG-UGKGYDQZSA-N 424.541 4.638 0 40 HJAB C[C@H]1CN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)C[C@H](c2ccccc2)O1 65591390 QQOMUWDGBLWIFL-MGPUTAFESA-N 412.436 4.541 0 40 HJAB CN(C)[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1cn(C)c2ccccc12 77171681 MJIRUAHZCATGOS-LJQANCHMSA-N 404.436 4.622 0 40 HJAB C[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1noc(-c2ccc(Cl)cc2)n1 79024803 WRUCMRQUIDWXQE-NWDGAFQWSA-N 406.269 4.688 0 40 HJAB O=C(CCCOc1ccccc1Br)Oc1ccccc1Br 94992608 LYKLHMLEZYONED-UHFFFAOYSA-N 414.093 4.976 0 40 HJAB CC(C)[C@@H](C(=O)N[C@@H]1CCc2cc(Cl)ccc21)n1cnc2cc(F)c(F)cc21 95392550 YRYZMXDXGFUZNJ-XLIONFOSSA-N 403.860 4.969 0 40 HJAB CC(=O)N(c1nc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cs1)c1ccccc1F 98002325 PSEAFLWSUXPSSW-WOJGMQOQSA-N 421.453 4.620 0 40 HJAB OC1=C2C(=Nc3nc(SCc4ccccc4)nn3[C@H]2c2ccc(O)cc2)CCC1 102674360 DAWGHHNQPFWDRU-FQEVSTJZSA-N 404.495 4.948 0 40 HJAB COc1cc(OC)cc([C@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c1 102743903 HDTJTDAIVPSRKZ-NSPYISDASA-N 424.482 4.777 0 40 HJAB COC(=O)CC1CCC2(CCc3cc(C(=O)C(C)(C)Br)ccc32)CC1 201717271 QXSBSTUADMLZTI-UHFFFAOYSA-N 407.348 4.980 0 40 HJAB O=C(COc1ccc(Br)cc1Cl)NCCCc1ccccc1Cl 218944761 WBYIWZWCOWFXAE-UHFFFAOYSA-N 417.130 4.884 0 40 HJAB CCc1cccc(C)c1NC(=O)[C@@H](CC)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220734336 RVJMFOSBPLFKSA-LJQANCHMSA-N 422.978 4.703 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 222405539 XOKLQKIJSVBMGW-QFIPXVFZSA-N 414.977 4.913 0 40 HJAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1C(C)C 223336200 KUTNOVBTZAPCJP-SFHVURJKSA-N 408.542 4.740 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(CC)cc1 223599854 GPGWICPPVGYTBJ-DEOSSOPVSA-N 408.586 4.905 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 224915051 VKXZKLKMABZNOH-INIZCTEOSA-N 421.368 4.870 0 40 HJAB Cn1c(=O)sc2cc(NC(=O)CSCc3c(Cl)cccc3Cl)ccc21 225022760 DFPOLORYYCJHAR-UHFFFAOYSA-N 413.351 4.779 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 225192007 ZFUFXBJBMKALSO-RBUKOAKNSA-N 414.977 4.913 0 40 HJAB Cc1cccc(CN(C(=O)CCSCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225510399 YRMUQMCYOVGVIO-FQEVSTJZSA-N 412.599 4.560 0 40 HJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225734558 UPZPSJMZKCTHIM-XMMPIXPASA-N 404.595 4.967 0 40 HJAB CCc1nn(C)c(C(=O)N2CCC[C@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)c1C 257202901 ANWBYOGSWSIYBU-IBGZPJMESA-N 420.532 4.820 0 40 HJAB CNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)CC(C)(C)C)CC1 257312461 UOBAJKWZLIIPNS-UHFFFAOYSA-N 420.597 4.996 0 40 HJAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1C 408624458 QHRGTNOEIIVUMA-UHFFFAOYSA-N 424.522 4.728 0 40 HJAB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c1 408665083 TUGKTKTWECPXFX-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)Nc4cccc(Cl)c4C)c3)C(=O)[C@@H]21 408673270 RARYLXFQLYSEGB-APMMZXSISA-N 420.896 4.602 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccc3c(c2)CCCC3)o1 409007804 RSQNTZSQVCSNDD-UHFFFAOYSA-N 423.538 4.821 0 40 HJAB O=S(=O)(c1ccc(F)cc1)N(Cc1ncc[nH]1)c1ccccc1-c1ccccc1 473088643 PCDMCECXKAELMI-UHFFFAOYSA-N 407.470 4.611 0 40 HJAB in-vitro Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@H]3CCCOc4ccccc43)c12 504705732 BOLQXNTXUMHDKO-FQEVSTJZSA-N 412.493 4.587 0 40 HJAB COc1cccc([C@H]2CC(=O)c3c(nc4c(c(C)nn4-c4ccc(C)cc4)c3N)C2)c1 618257304 UPBIQIPXGXMGOP-QGZVFWFLSA-N 412.493 4.541 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(I)cc2)c1 682356 FATANXGVFIYIEG-UHFFFAOYSA-N 409.267 4.741 0 40 HJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc2ccccc2cc1OC 812050 FDWYVJBBVIFADZ-UHFFFAOYSA-N 416.433 4.955 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@@H](C)CC4 929582 BCMZSPYHKKWOKW-LBPRGKRZSA-N 423.567 4.503 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(CCCOC(C)C)C3=O 2329052 RKVJSYPTADMRQT-QFIPXVFZSA-N 405.494 4.770 0 40 HJAB CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC)cc1 2434371 GDUQCDKIKDGDRM-UHFFFAOYSA-N 423.586 4.850 0 40 HJAB O=C(NCCCNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 2747522 IDNCXNWHKICKML-UHFFFAOYSA-N 420.123 4.850 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4Cc5c(c(C)nn5C(C)=O)[C@@]4(C)CC[C@@H]32)C1 4023875 LFSRWPRCKLPVBQ-FYVXYBBASA-N 410.558 4.760 0 40 HJAB CC(=O)N(CCN1C(=O)c2cccc3cccc(c23)C1=O)c1cccc2ccccc12 4302925 BKOCQWWGPKBZHU-UHFFFAOYSA-N 408.457 4.642 0 40 HJAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OCC)c(OC)c1)C2 4912627 CGRJXKZTACGEGF-KRWDZBQOSA-N 413.514 4.990 0 40 HJAB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2cccc(Cl)c2)NC(=S)N1 4953297 OPRTZLIOFSRZEQ-QGZVFWFLSA-N 406.338 4.733 0 40 HJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(Cl)cc1 4973313 SETYOZDYHFCQSA-UHFFFAOYSA-N 409.829 4.569 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3C)c2)cc1 6340395 IYNRXJKQNKBAJD-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCC(C)CC2)[C@@H]1c1cccs1 6875763 HUKMFXZLYHHHSR-VXKWHMMOSA-N 410.583 4.943 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(C)n1C1CC1)c1ccccc1 7617387 UBQLTIMVLXMSTK-HXUWFJFHSA-N 408.527 4.711 0 40 HJAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N1c2ccccc2C[C@H]1C 8187504 PUQTUAQMKSATCW-KGLIPLIRSA-N 404.495 4.676 0 40 HJAB CC(=O)NCc1ccc(C(=O)COc2ccc3cc(Br)ccc3c2)cc1 8508218 QTYFGQARQGBKAQ-UHFFFAOYSA-N 412.283 4.500 0 40 HJAB CCc1cccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)c1 8592563 WICZXVZYQKRYMY-UHFFFAOYSA-N 406.555 4.913 0 40 HJAB CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@H](c2ccc(C(C)C)cc2)NC(=S)N1 8769247 IXCBFNNRMZILII-IBGZPJMESA-N 401.482 4.520 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)cc1C 8810823 ZDVXRRRGCMEIES-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOCC)c1 8867732 ZFDWLYZAUAXFRQ-QFIPXVFZSA-N 421.493 4.554 0 40 HJAB Cc1sc(NC(=O)Cn2c(=O)sc3ccccc32)nc1-c1ccc(Cl)cc1 9226834 CJWDYWYCKUFXBR-UHFFFAOYSA-N 415.927 4.787 0 40 HJAB COc1ccc(-c2csc(NC(=O)COc3ccccc3)n2)cc1Br 9312316 CYJXWKQIWGKXRE-UHFFFAOYSA-N 419.300 4.599 0 40 HJAB O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1C[C@H]1CCCO1 10145633 UIXYKQWYCKDDDR-OAHLLOKOSA-N 420.456 4.887 0 40 HJAB Cc1cccc(Cn2c(=O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c3ccccc32)c1 10156763 FGGYWZUWJCTYGC-UHFFFAOYSA-N 411.288 4.816 0 40 HJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 11115176 FQZLKMGZEVMLFH-YADHBBJMSA-N 407.539 4.820 0 40 HJAB CC(C)(C)[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)cc2N1 12160762 BNYNCHGSLWBOGM-IDCNUPLLSA-N 424.511 4.889 0 40 HJAB CCc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)c3ccc(C)cc3)nc2s1 12583837 YWYYXNFHNMMLKL-UHFFFAOYSA-N 424.547 4.945 0 40 HJAB CCN(C(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1)C1=CCCC1 12914745 OTHMBMUDWIIXQC-UHFFFAOYSA-N 422.554 4.903 0 40 HJAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)C1 12923441 HSBIOTUESQRJJJ-FLVLSHQESA-N 402.416 4.596 0 40 HJAB CCOc1ccc(OCCSCCC(=O)Nc2cc(Cl)ccc2OC)cc1 13018183 MNUHCCAFLFNFLO-UHFFFAOYSA-N 409.935 4.888 0 40 HJAB COc1cc(CCNC(=O)c2cc(SC)ccc2Cl)ccc1OC(F)F 15135417 XVWMTGKSKRMAGU-UHFFFAOYSA-N 401.862 4.644 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1Cn1cc(C(F)(F)F)cc(Cl)c1=O 19313757 XNVCAGDCVMFEDB-UHFFFAOYSA-N 402.203 4.716 0 40 HJAB COc1ccc(CN2CCC([C@H](NC(=O)CC3CCCC3)c3ccccn3)CC2)cc1 19554953 DGOMQHRNEYMSBI-SANMLTNESA-N 421.585 4.740 0 40 HJAB CCOc1ccc(Nc2nc(-c3cc(OC)ccc3OC)c(CC(=O)O)s2)cc1 19894592 MJCLMUBQOBQVPD-UHFFFAOYSA-N 414.483 4.597 0 40 HJAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(Cl)c(Cl)c1 20479050 FITFHFQAYZMFJH-UHFFFAOYSA-N 421.305 4.873 0 40 HJAB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccc(C)cc2)n2c1nc1ccccc12 20675532 IQAMBJJBENNXBY-FGZHOGPDSA-N 419.525 4.650 0 40 HJAB O=c1[nH]c(CSc2ncnc3scc(-c4ccccc4)c23)nc2ccsc12 20920214 ZTJHHWXGCODKFV-UHFFFAOYSA-N 408.533 4.949 0 40 HJAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cccc2ccccc12 21636956 JGYLIGPOXGFTBC-ICSRJNTNSA-N 401.510 4.961 0 40 HJAB CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 22514115 NMWVAMYKLNNTOH-UHFFFAOYSA-N 415.518 4.679 0 40 HJAB C[C@H](CC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12)NC(=O)c1ccccc1 22879095 UTFFNRLGBKWHMU-BMEAYQNVSA-N 424.544 4.609 0 40 HJAB Cc1cc(C)c2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)n2n1 27300791 MNLCUHBDTPYZEI-UHFFFAOYSA-N 419.535 4.663 0 40 HJAB Cc1nn(Cc2cccc(C(=O)N3c4ccccc4C[C@H]3C)c2)c(C)c1Br 27970645 ADVVCEBHMAAICB-CQSZACIVSA-N 424.342 4.902 0 40 HJAB C[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1 31663433 VEXZQPNVQYVARE-INIZCTEOSA-N 421.463 4.610 0 40 HJAB O=C(/C(=C/c1ccccc1)c1ccc(Cl)cc1)N1CCN(c2nccs2)CC1 32907976 LZRGIAOQJXRSOT-CAPFRKAQSA-N 409.942 4.686 0 40 HJAB CCOc1ccc(-c2noc(CSc3nccn3-c3ccc(C)cc3)n2)cc1OC 33278096 GWFGXDSXBCLRBI-UHFFFAOYSA-N 422.510 4.930 0 40 HJAB O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 36394958 GCXDPTIYSDIZKH-GOSISDBHSA-N 423.296 4.519 0 40 HJAB COc1cc([C@H](C)NC(=O)c2ccc(-c3ccccc3)nc2C)cc(OC)c1OC 40111832 UQUNKMPJBAVQMS-HNNXBMFYSA-N 406.482 4.574 0 40 HJAB CC(C)c1noc(-c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)n1 46012511 KLWGZXNPNUSQNL-UHFFFAOYSA-N 405.376 4.896 0 40 HJAB CC(C)Cn1c(SCC(=O)N(C)c2cccc(Cl)c2)nc2ccsc2c1=O 57426289 BKSVFDWCZMUZQX-UHFFFAOYSA-N 421.975 4.523 0 40 HJAB CCCCn1c(SCC(=O)Nc2cccc(Cl)c2)nc2ccsc2c1=O 57426379 YVLUYAYWNXBLDM-UHFFFAOYSA-N 407.948 4.642 0 40 HJAB COc1cccc2c1N(C(=O)c1csc(COc3ccc(Cl)cc3)n1)CCC2 58356238 SCCJJGMBLVCJQT-UHFFFAOYSA-N 414.914 4.977 0 40 HJAB COc1cc(Cl)c(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1OC 58441919 GGAUBYSQTCGVMH-UHFFFAOYSA-N 413.817 4.714 0 40 HJAB COc1ccc(-c2noc(CN(Cc3cccc(Cl)c3)C(C)C)n2)cc1OC 59038133 OGQQWGIQLRKTJN-UHFFFAOYSA-N 401.894 4.818 0 40 HJAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 59500388 UBGFDMPNBIZBBN-ZOVQAKDCSA-N 409.485 4.656 0 40 HJAB biogenic CCN1c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2-c2ccccc2S1(=O)=O 65315053 AIHVEWSEIMALIF-UHFFFAOYSA-N 406.507 4.751 0 40 HJAB COc1ccc(-c2nc(C)cc(SCC(=O)N[C@@H](C)CCc3ccccc3)n2)cc1 67257636 UZBZXZDBJQAKKE-KRWDZBQOSA-N 421.566 4.690 0 40 HJAB CCCN(CC)c1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 69380457 MUOUKTDBGDAYKB-UHFFFAOYSA-N 419.569 4.620 0 40 HJAB C[C@H](NC(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1cc2ccccc2o1 71793169 QDIRXUNMDDGNAV-HNNXBMFYSA-N 404.491 4.915 0 40 HJAB C[C@@H](NC(=O)c1ccc(Br)cc1F)c1noc(-c2ccc(Cl)cc2)n1 79024800 OPZDMUADQFBCQQ-SECBINFHSA-N 424.657 4.783 0 40 HJAB CCS[C@@H]1CCCC[C@@H]1NCc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 97165582 QKNOMCCLQQHJQN-XJKSGUPXSA-N 413.490 4.501 0 40 HJAB O=S(=O)(Nc1ccc(F)c(F)c1)c1cc(Br)cc(C(F)(F)F)c1 98073037 IYBCYXOKOFCRCY-UHFFFAOYSA-N 416.165 4.547 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 222471580 KQWQSZOZBILHDN-RDPSFJRHSA-N 424.585 4.658 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1Cc1ccco1 223366015 STVLSJMEYIJIKY-VXKWHMMOSA-N 400.507 4.638 0 40 HJAB CC(C)c1ccccc1OCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCC1 223754501 WICODTMGVWSKAC-HXUWFJFHSA-N 422.569 4.665 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1Cl 224539733 WUUDEMHXUOTSLC-UHFFFAOYSA-N 406.916 4.763 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 225000971 KUWCEMJNUNNTFQ-UXHICEINSA-N 412.599 4.642 0 40 HJAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 225270189 NEWWXHOOBWHTQX-UHFFFAOYSA-N 407.495 4.656 0 40 HJAB O=C(O)c1ccc(CN(C(=O)c2ccc3oc(Cl)nc3c2)C2CCCCC2)o1 225980783 NTPMABKBSPRQIF-UHFFFAOYSA-N 402.834 4.748 0 40 HJAB CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)C4CCCC4)C3)cc2N1 248200336 VESDVEQQFAZFNM-XIRDDKMYSA-N 412.500 4.723 0 40 HJAB CNc1cc(C)nc([C@@]2(C)CCCN(C(=O)C(c3ccccc3)c3ccccc3)C2)n1 257226492 FKUJKKQFCCXHBA-SANMLTNESA-N 414.553 4.539 0 40 HJAB CCn1ncc(CN2CCC[C@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)c1C 257315499 VBRNYFMXNYRRPX-SFHVURJKSA-N 410.591 4.803 0 40 HJAB COc1ccc(N[C@@H]2CSC3(C2)CN(C(=O)Nc2ccccc2SC)C3)cc1 2056224002 MQOLPSAYBQDFEZ-INIZCTEOSA-N 415.584 4.621 0 40 HJAB CCOc1ccc(NC(=O)Cn2nc(-c3ccccc3Cl)n(CC)c2=S)cc1 639420 DXJNMCAGRBCYBR-UHFFFAOYSA-N 416.934 4.792 0 40 HJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C(N)=O)CCCCCC2 668334 VNPYAIBNSJFNTB-GFCCVEGCSA-N 406.935 4.565 0 40 HJAB CCNC(=O)c1c(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc2c1CCCC2 1159726 HOHXVESMVPHCQO-ABAIWWIYSA-N 415.386 4.906 0 40 HJAB COc1ccccc1NC(=O)CSc1nc(C)nc2sc3c(c12)CC[C@H](C)C3 1326123 SCNQNUGJXRWWTM-LBPRGKRZSA-N 413.568 4.864 0 40 HJAB Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)nc1 2493295 NHXOKEXCWWWXMU-FQEVSTJZSA-N 402.837 4.900 0 40 HJAB O=C(CSc1nnc(-c2cccs2)o1)NC(c1ccccc1)c1ccccc1 2621236 OEQDNTRGVNEHBN-UHFFFAOYSA-N 407.520 4.796 0 40 HJAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1 2704382 MHGSMQFZJPEHRF-SFHVURJKSA-N 417.490 4.826 0 40 HJAB CCN(CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccccc1 2890467 QFHBZEHJRWSJTH-NRFANRHFSA-N 424.928 4.724 0 40 HJAB COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2N=CNC2=N3)cc1 2915200 RYTVXORPJAHTBO-JWQCQUIFSA-N 422.488 4.808 0 40 HJAB Cc1cc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c(C)n1C[C@H]1CCCO1 3313392 VUSQOVPDYCXBBD-QGZVFWFLSA-N 410.297 4.630 0 40 HJAB CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc12 4615388 UDNRSHXAJVRWBW-DEDYPNTBSA-N 406.869 4.985 0 40 HJAB Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(N(C)C)cc3)nc2c1 4733612 PMEHIBZYJRGLIQ-UHFFFAOYSA-N 400.482 4.891 0 40 HJAB Clc1cccc(OCc2cccc(-c3nc4c5cn[nH]c5ncn4n3)c2)c1Cl 6448092 GSTLTUDXSFFICP-UHFFFAOYSA-N 411.252 4.553 0 40 HJAB CN1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OCc4ccccc4)c2)N3)C1 6857640 SXXWAQLEOGYOSO-NRFANRHFSA-N 405.523 4.744 0 40 HJAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)Nc1ccccc1 6881413 NEFDEYVOBDXMSF-FQEVSTJZSA-N 405.523 4.776 0 40 HJAB Cc1nnc2c(N3CCCc4ccccc43)nc3ccc(C(=O)c4ccccc4)cc3n12 6901733 DVXCURIODHAVKQ-UHFFFAOYSA-N 419.488 4.901 0 40 HJAB O=C(CSc1ccc2c(c1)OCCCO2)N[C@H](c1ccccc1)c1cccs1 7021740 AZVJJEHNPMWBNU-JOCHJYFZSA-N 411.548 4.907 0 40 HJAB O=C(Nc1ccc(OC(F)F)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 8140679 JIBFDIAADZAEIQ-UHFFFAOYSA-N 406.392 4.788 0 40 HJAB O=C(CN(c1ccccc1)c1n[nH]c(=S)s1)Nc1ccccc1C(F)(F)F 8436108 AWTOABOAAKGILY-UHFFFAOYSA-N 410.446 4.996 0 40 HJAB Cc1ccc(N2C[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1C 9320943 GHTLRWWMTCQARI-OAHLLOKOSA-N 401.388 4.893 0 40 HJAB Cc1ccc(Nc2nc(N)nc(CSc3cc(C)c4cccc(C)c4n3)n2)cc1 9368091 RYGHZOIBAQVYEU-UHFFFAOYSA-N 402.527 4.963 0 40 HJAB COc1ccc2c(CC(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)coc2c1 9377232 BQSNVWQVDMPQQF-NRFANRHFSA-N 412.917 4.591 0 40 HJAB COCCn1c(S[C@H](C)C(=O)c2ccc(Br)cc2)nc2ccccc21 9467330 JQWJKXYYXYMUCX-CYBMUJFWSA-N 419.344 4.809 0 40 HJAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)N1CC[C@H](C)Sc2ccccc21 9717760 PBNXIXDOHDSFQI-HNNXBMFYSA-N 422.506 4.724 0 40 HJAB C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1cccc(C(F)(F)F)c1 10224566 VECAZTCGBVRDGW-CJNGLKHVSA-N 424.850 4.585 0 40 HJAB CC[C@H](C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1OC)c1ccccc1 11693438 CXCZFFNOVYYEAB-SFHVURJKSA-N 416.481 4.546 0 40 HJAB Cc1cc(=O)n2c(-c3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3)csc2n1 11770858 RRBGSOICWGIQLN-UHFFFAOYSA-N 412.421 4.654 0 40 HJAB Cc1csc(N(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c2ccccc2)n1 12752983 KWIKFJDHHZBLRE-OAHLLOKOSA-N 411.914 4.823 0 40 HJAB COC(=O)c1ccc(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)cc1 12811000 HZBFBLMSQXQIIZ-UHFFFAOYSA-N 421.478 4.915 0 40 HJAB O=C(Nc1ccccc1)c1nnc(CN(Cc2ccccc2)Cc2ccco2)s1 12816963 URTNVLGFDWJOBL-UHFFFAOYSA-N 404.495 4.586 0 40 HJAB Cc1cc(Cl)ccc1OCCCC(=O)NC1CCN(Cc2ccccc2)CC1 12821271 PGISLEBJFUMIRZ-UHFFFAOYSA-N 400.950 4.588 0 40 HJAB Cc1ccn(-c2ccc(Nc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)nn2)n1 13009709 RCENNRAKBZYSNA-UHFFFAOYSA-N 418.888 4.549 0 40 HJAB COc1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 13057031 RDKKXVVHNCMPSS-UHFFFAOYSA-N 414.449 4.505 0 40 HJAB O=C(O)c1cccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c1 15013586 AXYQYYLBCILMJP-XDHOZWIPSA-N 422.437 4.551 0 40 HJAB CC[C@H](c1ccc(F)cc1)n1cc(C(=O)Nc2c(C)ccc3nc(C)ccc23)nn1 19656065 YFTFKWYQOPUDRW-OAQYLSRUSA-N 403.461 4.834 0 40 HJAB CCCc1cc(C(=O)N2CCc3nc(-c4cccc(C(F)(F)F)c4)sc3C2)no1 19719903 COWNSNORJYOCMZ-UHFFFAOYSA-N 421.444 4.968 0 40 HJAB CC(C)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccc(Cl)cc2)c2ccccc21 20738437 ZROHDZKTTQLGLQ-HSZRJFAPSA-N 420.900 4.806 0 40 HJAB CCc1nc(CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)cs1 23074959 JHUQHOCMUFQREK-UHFFFAOYSA-N 405.980 4.832 0 40 HJAB O=C(Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O)Nc1ccc(F)cc1 23126775 KHBIOPDWIGTUEY-UHFFFAOYSA-N 413.861 4.556 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1cccs1)N1CCCC1 23804792 UZRIKSUXAVZHGO-BBRMVZONSA-N 413.370 4.776 0 40 HJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1n[nH]c2ccccc12 25139521 RQFRGSLTMHVEIE-UHFFFAOYSA-N 407.477 4.688 0 40 HJAB CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCCC[C@@H]12 25184500 BPRMDKHXSGCKLD-IFMALSPDSA-N 424.342 4.773 0 40 HJAB Cn1c(=O)n(C)c2cc(SC3CCCCC3)c(NC(=O)c3ccccc3F)cc21 28049212 HJDZQNKUUWCVID-UHFFFAOYSA-N 413.518 4.693 0 40 HJAB CCCCc1ccc(Nc2nnc(SCc3ccco3)n(-n3cccc3)c2=O)cc1 28536326 NQHPDQHWVRNQKG-UHFFFAOYSA-N 421.526 4.723 0 40 HJAB Cn1ccnc1[C@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 29316962 XBRVLKCUXAHQLJ-QGZVFWFLSA-N 422.838 4.681 0 40 HJAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(Cc3cccs3)C3CC3)c12 30301839 LTRBZARSWIEKKH-UHFFFAOYSA-N 402.523 4.810 0 40 HJAB CC(C)Oc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1Cl 31721515 HONXQMFXKKCNHN-UHFFFAOYSA-N 410.742 4.752 0 40 HJAB CCc1ccc2[nH]c(CSCC(=O)Nc3cc(Cl)ccc3C)cc(=O)c2c1 33064297 RDNPUAYRKGUYGU-UHFFFAOYSA-N 400.931 4.924 0 40 HJAB CCc1ccc(OCC(=O)Nc2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)cc1 35671522 ZUPDDWFPPXYPFG-UHFFFAOYSA-N 409.511 4.657 0 40 HJAB C[C@@H](Nc1nc(-c2ccc(Br)cc2)cc(C(F)F)n1)c1ccn(C)n1 36612872 DENVKBHESORALQ-SNVBAGLBSA-N 408.250 4.750 0 40 HJAB O=C(NCCSc1ccccc1)C1CCN(Cc2c(F)cccc2Cl)CC1 39749008 TXAJNSJSYLFLPL-UHFFFAOYSA-N 406.954 4.600 0 40 HJAB Cc1nc2ccccc2n1CC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 40115032 XOIKZBZXPWWGIN-UHFFFAOYSA-N 414.296 4.535 0 40 HJAB COc1cc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc23)cc(OC)c1 49004755 ZYQASBVFROFBSJ-UHFFFAOYSA-N 420.513 4.715 0 40 HJAB Cc1cccc(NC(=O)CN(C)C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c1C 58196030 BJKOJPHYUJLVFE-QHCPKHFHSA-N 411.521 4.954 0 40 HJAB Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2Cc2cn(C)c3ccc(F)cc23)n1 72372699 QZPVEZWOGWAIHF-HSZRJFAPSA-N 416.504 4.892 0 40 HJAB Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCCCN2C(=O)C2CCCC2)n1 72377063 JBZLCEGMNJPODM-SFHVURJKSA-N 418.463 4.988 0 40 HJAB c1ccc(-c2cnc3c(c2)[C@H](N2CCCC2)n2nc(-c4ccncc4)nc2S3)cc1 72396299 YCWUUZVUOSVNAS-JOCHJYFZSA-N 412.522 4.509 0 40 HJAB S=C(Nc1cccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1)N[C@@H]1C[C@H]2CC[C@@H]1C2 100999079 IDCCYCFBXABYHM-QETMQDACSA-N 414.644 4.637 0 40 HJAB COC(=O)Nc1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 103399613 NTWRUMYKEWOELI-NYYJTOMGSA-N 407.308 4.537 0 40 HJAB Cc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 107954365 QDHLJAKFJMGLMJ-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB C[C@@H](c1cccnc1)N(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C1CC1 108144675 VCMTWPFZVRWBHK-OXJNMPFZSA-N 420.538 4.639 0 40 HJAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4C[C@](O)(C(Cl)(Cl)Cl)CC[C@]34C)[C@@H]1CCC2=O 118915193 PRKJWXBURFOVQU-VGQYSFOPSA-N 421.792 4.879 0 40 HJAB COc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 205654425 DYHDWRYTBYTUTC-LFIBNONCSA-N 423.808 4.505 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(N(C)C)cc3)N21 222705767 CKSCOSJHZYSXLO-NLSFWIRASA-N 417.582 4.918 0 40 HJAB Cc1ccc(CN(C(=O)COc2ccccc2C(C)C)[C@@H](C)C(=O)NC(C)(C)C)cc1 222781848 FLGOVHIVJYZYDL-FQEVSTJZSA-N 424.585 4.829 0 40 HJAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 223842001 WCQYWAWYZZTVOC-UHFFFAOYSA-N 401.871 4.594 0 40 HJAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 224539939 KBXDOOFNMBTPHH-UHFFFAOYSA-N 406.916 4.763 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F 225098827 VENZLNKODGLZHQ-DEOSSOPVSA-N 424.560 4.933 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 225208506 KLIDKIUIXFYJDT-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB CN(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC3CCCC3)CC2)n1 257229781 FZLMVYOCKBKFJD-XUTJKUGGSA-N 421.589 4.575 0 40 HJAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4scnc4C)C3)c2)cc1 257243312 IGISWWJBQKMBGN-SFHVURJKSA-N 407.539 4.850 0 40 HJAB COc1ccc(OC)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 408624437 UDIBPDQTSCLDEI-UHFFFAOYSA-N 400.887 4.637 0 40 HJAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)c(Cl)c2)C1=O 409013399 NFKJCQUMEWDVGA-GIBJHAEVSA-N 411.907 4.505 0 40 HJAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409104856 IWUVOSAOLUPPFA-UHFFFAOYSA-N 400.935 4.831 0 40 HJAB O=C(Cn1ccc(=O)c2cc(Oc3ccccc3)ccc21)N1CCC[C@@H]2CCCC[C@H]21 583232074 TXEGLOZSFIFUPW-WMZHIEFXSA-N 416.521 4.975 0 40 HJAB CC(C)N(CCCNS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1)C(C)C 1561336501 PWJYCFCRMVMFTI-UHFFFAOYSA-N 424.994 4.920 0 40 HJAB CC(C)c1ccc(OCc2nnc(SCC(=O)N3CCCc4ccccc43)o2)cc1 876012 UTLVQZXTXQFOPA-UHFFFAOYSA-N 423.538 4.844 0 40 HJAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)NC1CCCCC1 885323 YFTWADIPYFZXTQ-UHFFFAOYSA-N 421.488 4.802 0 40 HJAB CCCCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@H](C)C(=O)OCC 2029211 IMMIMLBZICLAAC-CQSZACIVSA-N 415.511 4.898 0 40 HJAB CCCC[C@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 2315316 AIONUDQLZAUZOY-QFIPXVFZSA-N 406.526 4.891 0 40 HJAB O=C1C[C@H](c2ccccc2)Cc2nc3nc(SCc4ccccc4Cl)nn3cc21 2347873 YZYFCNHWRGSTSM-MRXNPFEDSA-N 420.925 4.983 0 40 HJAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Oc4ccccc4)cc3)sc2c1 3237304 OHPFKQDAXFJQRJ-UHFFFAOYSA-N 424.503 4.744 0 40 HJAB CCOc1ccc(Br)cc1/C=C1/C(=O)N(C2CCCCC2)C(=S)N1C 3662836 NQKQEFHDAKLVTE-VBKFSLOCSA-N 423.376 4.580 0 40 HJAB O=C(CCOc1ccccc1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 4273190 IKACTTBPCJPDMP-UHFFFAOYSA-N 407.470 4.833 0 40 HJAB CN(Cc1ccccc1)C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 5886504 MJGQFWRMDYDLAZ-UHFFFAOYSA-N 407.470 4.535 0 40 HJAB C[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccc(-c2ccccc2)cc1 6053948 YIKYHNKBZOIFAO-HNNXBMFYSA-N 413.926 4.902 0 40 HJAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCc3ccc(Cl)cc3)n2C)cc1 6283853 YRUWFSNZYKTQKS-CQSZACIVSA-N 400.935 4.560 0 40 HJAB CCCCc1ccc(-c2nc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)sc2C)cc1 6593020 VEUVAJJBHUDSHS-XWSJACJDSA-N 410.539 4.923 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F 6878444 IVHLDCBGHULXFL-UHFFFAOYSA-N 420.460 4.638 0 40 HJAB CCN(CC)C(=O)[C@H](Sc1nc2ccccc2c(=O)n1CC(C)C)c1ccccc1 7111168 ACFLEVHUFKSDLK-OAQYLSRUSA-N 423.582 4.754 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(OC)cc3)o2)cc1 8130655 MPDJJRVZPNJJGE-HNNXBMFYSA-N 411.527 4.955 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc2c(c1)OCCCO2 8316609 AEPQCNMSVMKPKV-UHFFFAOYSA-N 402.809 4.856 0 40 HJAB CCOc1cccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c1 8902694 NXTSLYBDICEEFT-UHFFFAOYSA-N 407.451 4.793 0 40 HJAB O=C(NC(=S)Nc1cccc(NC(=O)c2cccs2)c1)c1cc2ccccc2o1 9246821 SSGNDOXJNRFEDO-UHFFFAOYSA-N 421.503 4.873 0 40 HJAB C[C@H]1C[C@H](Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccco2)C(=O)O1 9365092 VJZHQQPZARRHQA-KSSFIOAISA-N 411.527 4.680 0 40 HJAB CC(C)NC(=O)c1cccc2c1CCCN2C(=O)c1csc(-c2ccccc2)n1 11115378 GTJJNGHRSZHLCD-UHFFFAOYSA-N 405.523 4.541 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccncc2)N1Cc1ccccc1 12528163 UPOXIPRMEBYGQD-HXUWFJFHSA-N 402.837 4.587 0 40 HJAB COc1ccc(CN(C)Cc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)[nH]2)cc1 12765781 ONPWWQVAVHREIP-UHFFFAOYSA-N 419.550 4.909 0 40 HJAB CCOc1ccccc1-c1nc(CC(=O)N[C@H](C)c2ccc(F)c(F)c2)cs1 12823938 ZSXONTGOHJXUAI-CYBMUJFWSA-N 402.466 4.907 0 40 HJAB Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1cccnc1)O2 13036202 FZSWFHLKWRHBCI-XMSQKQJNSA-N 405.841 4.706 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 13714160 MILGLYYCJNCYEE-UHFFFAOYSA-N 423.900 4.721 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2C)cc1 13842439 ZBFZESRYQHQSHX-UHFFFAOYSA-N 424.570 4.811 0 40 HJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 14200053 LCTOKLOOSNAQKP-SJORKVTESA-N 422.554 4.760 0 40 HJAB C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N(Cc1ccccc1)Cc1ccccc1 14226374 RLTBIXARMVJWRN-QGZVFWFLSA-N 418.522 4.774 0 40 HJAB CCCCC1CCC(C(=O)N(Cc2ccc(CC)cc2)[C@H]2CCS(=O)(=O)C2)CC1 16741753 LVTGEOAXZUBMMW-SDVLMSEASA-N 419.631 4.761 0 40 HJAB CN(Cc1ccc(Br)s1)C(=O)c1ccccc1NC(=O)c1ccco1 18107803 YLFMDINVMDCCSK-UHFFFAOYSA-N 419.300 4.628 0 40 HJAB COc1cccc(C(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)c1 19564414 YWUVOKDDPWZYJE-CQSZACIVSA-N 403.404 4.610 0 40 HJAB Cc1ccccc1Cc1ccc(C2CCN(C(=O)CC[C@H](C)N3CCCC3)CC2)nc1 19690402 ZCGOZWOXMATMRQ-QFIPXVFZSA-N 419.613 4.951 0 40 HJAB Cc1nc([C@@H]2CCN(Cc3ccc(F)cc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19753200 CVVBBSGWZFXDSW-QGZVFWFLSA-N 424.907 4.819 0 40 HJAB Cc1nc([C@@H]2CCCCN2Cc2ccc(-c3ccccc3)cc2)ncc1C(=O)N(C)C 19765615 FFJNRVXCSICSFD-DEOSSOPVSA-N 414.553 4.881 0 40 HJAB Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1C 20241797 JQKHYQVSWHIGJN-UHFFFAOYSA-N 413.565 4.874 0 40 HJAB O=C(CN1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1ccc(OC(F)(F)F)cc1 24662577 YQYSVNDBCLPLCT-CQSZACIVSA-N 419.403 4.545 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc(C)c1Cl 26124147 HCIPNSJGXQTCQZ-UHFFFAOYSA-N 424.863 4.847 0 40 HJAB Cc1ccccc1C(=O)Nc1cc2c(cc1SC1CCCCC1)n(C)c(=O)n2C 28049197 UXPGSIFMJAYXSE-UHFFFAOYSA-N 409.555 4.863 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 28730511 HDJPRTPBWHDTMJ-UHFFFAOYSA-N 419.409 4.553 0 40 HJAB O=C1c2ccccc2N[C@H](c2csc(-c3ccc(F)cc3)n2)N1C[C@@H]1CCCO1 32854078 OZTJPMAZGKKBER-JXFKEZNVSA-N 409.486 4.695 0 40 HJAB O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38833988 HAEUJBQDCAAIPQ-HNNXBMFYSA-N 407.739 4.953 0 40 HJAB Cc1cc(Cc2cnc(NC(=O)Cc3c(C)noc3C)s2)ccc1Br 48342971 FMBLUIWCSRQFRC-UHFFFAOYSA-N 420.332 4.591 0 40 HJAB CC[C@@H](NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1)c1ccc(Cl)cc1 48374994 FQZRBBGPGBPHSB-QGZVFWFLSA-N 417.918 4.760 0 40 HJAB Cc1noc(C)c1[C@@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccc(Cl)cc1 61720431 QWZHFELKUGAIAB-LBPRGKRZSA-N 402.859 4.846 0 40 HJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 63957304 HHZPCFOZTTYUTE-UHFFFAOYSA-N 402.495 4.603 0 40 HJAB CCCCOc1ccccc1-c1cc(C(=O)NCc2ccc(F)c(Cl)c2)[nH]n1 72331597 SGKVFFWSPGUMIK-UHFFFAOYSA-N 401.869 4.978 0 40 HJAB COc1ccc([C@H]2CC3=Nc4nonc4N[C@@H](c4ccccc4F)C3=C(O)C2)cc1 102743240 XFMNQLSYTOGMIV-RBZFPXEDSA-N 406.417 4.846 0 40 HJAB C[C@@H]1Cc2cc(Br)cc3c(=O)c(C(=O)Nc4ccc(Cl)cc4)cn1c23 223104200 HPRGMJXAVWKAES-SNVBAGLBSA-N 417.690 4.787 0 40 HJAB C[C@H]1C[C@H](C)CN(CCCNC(=S)Nc2ccc(Br)c(Cl)c2)C1 225729095 UIWUBQUGYFUGOV-STQMWFEESA-N 418.832 4.757 0 40 HJAB CCOC(=O)/C=C/c1cc(Br)c(OCc2cccc(F)c2)c(OC)c1 226335716 JSKDBYIFMUCVCU-BQYQJAHWSA-N 409.251 4.752 0 40 HJAB CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)n(C)n1 257206783 BEWJDNJPNLDGBE-HXUWFJFHSA-N 410.493 4.629 0 40 HJAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4OC(F)F)OCC[C@@]31C2 257254841 KEXFGSJUBWIRSC-KACCFSCSSA-N 423.500 4.705 0 40 HJAB COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)c2ccccc2)c1O 257293360 QPDKPJYZEQBIIK-HREISKMMSA-N 421.537 4.713 0 40 HJAB Cc1cccc(OCCCC(=O)N2CCCC[C@@H]2c2nnc(-c3cccnc3)o2)c1C 257295619 QZEBLWKQVLFXBT-HXUWFJFHSA-N 420.513 4.661 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(Cl)c2)cc1 408693667 BPXAICVRWNJURW-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB CCOc1ccc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)cc1OCC 408814629 PVRBASFAMSBPHK-UHFFFAOYSA-N 413.519 4.564 0 40 HJAB Cc1ccccc1CSCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 409138027 YXKSYDQWRPXCDU-UHFFFAOYSA-N 418.562 4.839 0 40 HJAB Cn1ccc(CN2CCC[C@H]2c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)n1 585268757 CZGCUYVAPVVXOO-FQEVSTJZSA-N 423.586 4.764 0 40 HJAB CC(C)([C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(F)c(F)c1)N1CCCC1 1127885290 PGIZCSQMQGBIRK-NRFANRHFSA-N 406.904 4.893 0 40 HJAB c1ccc(CCSCc2nnc3sc(-c4cccc5cccnc45)nn23)cc1 1501039888 IBZVMKQBIHCLET-UHFFFAOYSA-N 403.536 4.877 0 40 HJAB Cn1c(C(=O)N2CCC(C)(C(=O)OC(C)(C)C)CC2)cc2cc(C(F)(F)F)ccc21 1639838951 HMKYTYFSGPJKQO-UHFFFAOYSA-N 424.463 4.781 0 40 HJAB Clc1cnc(N2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)c(Cl)c1 1776009237 BKBHHOWNDNXGKM-RYUDHWBXSA-N 402.123 4.720 0 40 HJAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccccc2)cc1 843098 ZZNIDFHPYFUOBL-UHFFFAOYSA-N 414.914 4.559 0 40 HJAB O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCCC1 867010 IXSORWZQEOSZMV-OLZOCXBDSA-N 416.806 4.572 0 40 HJAB CC(C)(C)c1ccc(OCc2nnc(SCC(=O)Nc3cccc(F)c3)o2)cc1 876028 CYCDTIVAGQGHBV-UHFFFAOYSA-N 415.490 4.816 0 40 HJAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NC3CCCCC3)cc2c1 1224485 KQRCHEFFTMGGPA-UHFFFAOYSA-N 423.582 4.947 0 40 HJAB CC1(C)C[C@@]2(CCO1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccco3)=NN12 1307614 PRQJSYYZSIZUMQ-OXJNMPFZSA-N 417.303 4.871 0 40 HJAB O=C(NCCNC(=O)Oc1cccc2ccccc12)Oc1cccc2ccccc12 1747628 WFQQFZSIGAKECL-UHFFFAOYSA-N 400.434 4.870 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1F)N(Cc1ccco1)C3=O 2418191 MIRAQJVUKXIPQT-OAQYLSRUSA-N 403.409 4.887 0 40 HJAB COc1ccc(OC)c(NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)c1 2424121 PYQBNQUHTSAWJJ-UHFFFAOYSA-N 407.495 4.973 0 40 HJAB CCOc1ccc2c(c1)SC1=N[C@@](c3ccc(C)cc3)(C(F)(F)F)NC(=O)N12 3198296 UEWCSHILODWYIQ-SFHVURJKSA-N 407.417 4.800 0 40 HJAB CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)CNCCOc2ccccc2F)cc1 3345043 QHXWSVIJVHZRNW-HXUWFJFHSA-N 417.565 4.948 0 40 HJAB O=C(NC[C@H]1OCCc2ccccc21)c1ccc(NC(=O)c2ccccc2Cl)cc1 3635457 DDWHVNHALOICSG-JOCHJYFZSA-N 420.896 4.636 0 40 HJAB CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3cccs3)C2)cc1 4237190 ZRMJCYVQQNCCOS-DOTOQJQBSA-N 422.575 4.558 0 40 HJAB biogenic,in-vitro O=C(NC1CCCC1)[C@H](c1cccs1)N(CCc1ccccc1)C(=O)c1ccco1 4240626 RHMQJGWLLCHORK-QFIPXVFZSA-N 422.550 4.826 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CC(C)(C)NC2(C)C 4275301 WGZUOPQDZKGBMJ-UHFFFAOYSA-N 420.962 4.990 0 40 HJAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OCC(=O)OCc3ccccc3)cc12 4340734 MULKRPTUNKZNSR-UHFFFAOYSA-N 400.430 4.891 0 40 HJAB biogenic CCCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccoc1C 4860561 NPCVKDMEKRHUJS-UHFFFAOYSA-N 414.531 4.694 0 40 HJAB CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(c1cc(C)on1)C3=O 5272626 FFEFKLPLJASXHZ-HXUWFJFHSA-N 404.397 4.541 0 40 HJAB CC[C@H](C)c1ccc(-n2c(S[C@H](C)C(N)=O)nc3ccc(Cl)cc3c2=O)cc1 5449932 WIZRBGDVFXKBQS-QWHCGFSZSA-N 415.946 4.519 0 40 HJAB O=C(COC(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1)Nc1ccc(F)cc1 5938682 BEMFXOBTPGMCPL-SJORKVTESA-N 412.486 4.891 0 40 HJAB CCCCCNCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 5978167 YBMQPRPNGHLDAJ-UHFFFAOYSA-N 407.436 4.676 0 40 HJAB CC[C@@H](C)NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 6024671 NDPJKZPGEDIKEA-CYBMUJFWSA-N 406.313 4.837 0 40 HJAB CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 6812234 STWFHSJWDZLLSP-RTWAWAEBSA-N 421.570 4.554 0 40 HJAB Cc1nnc(S/C(=C\c2c(C)n(Cc3ccccc3)c3ccccc23)C(=O)O)o1 7365734 PUSFWMLSRJZQFH-NDENLUEZSA-N 405.479 4.907 0 40 HJAB COc1ccc(Cl)cc1-c1nnc(SCc2nnc(-c3ccccc3)o2)o1 7604800 LUUREKOEHHTVCO-UHFFFAOYSA-N 400.847 4.741 0 40 HJAB O=C(CCOc1ccccc1)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 8008838 ROESMRNYZMASPS-XMMPIXPASA-N 408.425 4.946 0 40 HJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2C(F)(F)F)cc1 8090678 YKASWLVCIFPYAA-UHFFFAOYSA-N 406.433 4.634 0 40 HJAB CC(C)CCNC(=O)c1ccc2c(=O)n(-c3ccc(F)c(Cl)c3)c(=S)[nH]c2c1 9285866 MRHGFXFLRXYPMN-UHFFFAOYSA-N 419.909 4.617 0 40 HJAB O=C(CC1(CC(=O)N2CCOCC2)CCCC1)Nc1ccc(Oc2ccccc2)cc1 9749746 ASTRSMRGHADQIR-UHFFFAOYSA-N 422.525 4.617 0 40 HJAB COc1ccccc1[C@@H]1C[C@H](c2ccc(C)cc2)N(C(=O)c2ccccc2)c2ncnn21 10060418 VTYRYLZGKFKOIT-PKTZIBPZSA-N 424.504 4.976 0 40 HJAB Cc1cc(=O)oc2cc(OC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)ccc12 11426252 RNFVLVXHQCUELZ-UHFFFAOYSA-N 411.360 4.573 0 40 HJAB CCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccccc3F)CC1)c1cccn1-2 12117992 PPNISFBTHIHIRB-UHFFFAOYSA-N 405.473 4.572 0 40 HJAB CCOc1ccc(NC(=O)Cc2csc(SCC(=O)c3ccccc3)n2)cc1 12444153 UYAINAFIFJSIIC-UHFFFAOYSA-N 412.536 4.698 0 40 HJAB COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN23)c1 12575917 GGTBYVSNLZCOEO-BWKNWUBXSA-N 414.461 4.709 0 40 HJAB COc1cc(C)c(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1OC 12784030 HMOCQGQQKISHNL-UHFFFAOYSA-N 403.438 4.710 0 40 HJAB Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)cc1 13212981 RFOPSMHGICGNHZ-FGZHOGPDSA-N 413.868 4.539 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc12 13688092 LWGQZJYYCUEDKM-SDHOMARFSA-N 420.468 4.891 0 40 HJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(I)cc1 16401096 IVCUQWBZYUFZRT-UHFFFAOYSA-N 414.655 4.807 0 40 HJAB Cc1cc(-c2cncnc2)cc([C@H]2CCCN2Cc2ccc3c(c2)CC(C)(C)O3)n1 19690998 DCKCWDUIJIZUMN-HSZRJFAPSA-N 400.526 4.898 0 40 HJAB COc1ccc(SCC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 20493052 MUISTSLNNLQUCJ-UHFFFAOYSA-N 411.498 4.822 0 40 HJAB COc1ccc(-c2nnc([C@H](C)Sc3nc(C)c(C)n3C[C@@H]3CCCO3)o2)cc1 22131509 MIDKKYKMUJEHHT-YJBOKZPZSA-N 414.531 4.591 0 40 HJAB O=C(Nc1cc2c(cc1Br)OCCO2)c1csc(-c2ccsc2)n1 23039949 UBGPWPLMWJHYPG-UHFFFAOYSA-N 423.313 4.658 0 40 HJAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1cc(Cl)c(Cl)cc1Cl 25510928 AFMPLWMQDAVRDI-UHFFFAOYSA-N 407.631 4.684 0 40 HJAB CCOc1cccc(C(=O)Nc2nn(Cc3ccc(C)cc3)cc2Br)c1 27917178 JIIFBRJYMCIVMZ-UHFFFAOYSA-N 414.303 4.653 0 40 HJAB Cc1ccccc1-n1c(SC[C@H](O)c2ccccc2F)nnc1-c1cccnc1 28911155 UAVHRUKOGCJIBK-FQEVSTJZSA-N 406.486 4.603 0 40 HJAB COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N(C)C)no2)cc1 32623082 JLXSBEUTDPITEN-QFIPXVFZSA-N 421.541 4.680 0 40 HJAB Cc1[nH]c(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 32933265 IGJYVTXHEGCXFI-LBPRGKRZSA-N 418.280 4.876 0 40 HJAB CC(C)(C)c1ccc(OCc2nnc(SCC(=O)NC3CCCCCC3)o2)cc1 32940025 OBGIIYSCGPADKR-UHFFFAOYSA-N 417.575 4.877 0 40 HJAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](c2nnc(Cc3ccc(F)cc3)o2)C1 35596965 SXHNADDDWNRSOR-OAHLLOKOSA-N 414.868 4.864 0 40 HJAB C[C@H]1CN(C(=O)c2cc(-c3cccs3)nc3onc(-c4ccccc4)c23)C[C@H](C)O1 36612968 BCGNMNACTKUHSJ-GJZGRUSLSA-N 419.506 4.868 0 40 HJAB CSc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 38710557 WEZSAKCZQQIRIS-UHFFFAOYSA-N 408.548 4.921 0 40 HJAB COc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 39748495 QFIVNFRBSSRLCU-HNNXBMFYSA-N 404.913 4.577 0 40 HJAB C[C@@H](N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(F)cc1Cl 40071799 YHHFJWJXAQXAGB-CHWSQXEVSA-N 403.885 4.505 0 40 HJAB O=C(NC1CCN(C(=O)Nc2ccccc2Cc2ccccc2)CC1)c1ccccc1 40098881 ZAMDODYSMDTMSK-UHFFFAOYSA-N 413.521 4.704 0 40 HJAB O=C(Nc1ccccc1Oc1ccccc1)N1CCN(C(=O)c2ccc(F)cc2)CC1 40099108 VMCPFEJQRSSPSD-UHFFFAOYSA-N 419.456 4.608 0 40 HJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(CN2CCCC2)cc1 44872934 SKFRKWHHZHPBLR-DEOSSOPVSA-N 402.538 4.909 0 40 HJAB Cc1cc(=O)n(CC(=O)Nc2ccccc2C(F)(F)F)c(-c2cccc(Cl)c2)n1 57526690 LYCLLSNVBUQMNZ-UHFFFAOYSA-N 421.806 4.530 0 40 HJAB CCC(CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(NC)nc(C2CC2)n1 57775159 FCANHZVZXUANOQ-FQEVSTJZSA-N 405.546 4.713 0 40 HJAB COc1cccc(CNc2ncc(-c3cccc(Cl)c3)c(-c3nccn3C)n2)c1 57775488 ICHMRSXOEDJBEC-UHFFFAOYSA-N 405.889 4.818 0 40 HJAB Cc1ccc2cccc(OS(=O)(=O)c3csc(-c4ccc(F)cc4)n3)c2n1 58159636 RWKZQXPGGJPIIN-UHFFFAOYSA-N 400.456 4.574 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3C)o2)c1C 59176095 GZPQOKKLLFKCRD-UHFFFAOYSA-N 417.918 4.958 0 40 HJAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 59307885 LZNNOBWSHCXVFB-UHFFFAOYSA-N 418.534 4.641 0 40 HJAB CCOc1ccc(C(=O)C2=NCCc3cc(OCC)c(OCC)cc32)cc1OCC 65740683 GWEJBCQISYBHHZ-UHFFFAOYSA-N 411.498 4.510 0 40 HJAB in-vitro Cc1cccc(CSc2ncc3c(n2)-c2ccc(Cl)cc2N(C)S3(=O)=O)c1 67260191 OETBZOCEBGGKGW-UHFFFAOYSA-N 417.943 4.536 0 40 HJAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)cc1Cl 67296384 UBSPGBPLWDNEGT-LVWGJNHUSA-N 405.841 4.975 0 40 HJAB O=C(Nc1nnc(SCc2ccccn2)s1)C1(c2cccs2)CCCC1 70635100 LIAPPBGUONSCGI-UHFFFAOYSA-N 402.570 4.737 0 40 HJAB O=C(C1CCCC1)N1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 72371382 JEIMUQOMTKQCCY-INIZCTEOSA-N 421.463 4.556 0 40 HJAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1ccc(Br)c(F)c1 95067930 XFKKXFOVVLRKFO-UHFFFAOYSA-N 416.165 4.547 0 40 HJAB COC(=O)c1nc(NC(=O)c2cc3cc(C(F)(F)F)ccc3s2)sc1C 96118772 WCDQZRARAQSYCE-UHFFFAOYSA-N 400.403 4.724 0 40 HJAB O=S(=O)(Cc1ccccc1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 208006186 CAJRYQYOBZWDOP-UHFFFAOYSA-N 422.535 4.891 0 40 HJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2cccs2)no1 219344308 BHLOHKUXAZKBBI-QGZVFWFLSA-N 407.495 4.767 0 40 HJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 223016380 NGFNUVJUFPJMHQ-MGPUTAFESA-N 402.922 4.973 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2OC(C)C)c1 223945364 DTGIXAQBKJOOKZ-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)ccc1Br 224919185 QOBPLMDFZRCGNH-QZTJIDSGSA-N 413.344 4.658 0 40 HJAB Cc1ccccc1CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@@H](C)C(=O)NC(C)C 225490562 LFDAYRNDYYSXBU-FQEVSTJZSA-N 424.585 4.613 0 40 HJAB CN(CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1)Cc1ccccc1F 257218747 DEHDIYLYPNBTTJ-QHCPKHFHSA-N 421.516 4.590 0 40 HJAB O=C(NCc1ccc(F)cc1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257240432 HTLZQCSIDURMHC-UHFFFAOYSA-N 404.485 4.543 0 40 HJAB COCc1ccc(C(=O)N2CCC3(CC2)Oc2cc(C)ccc2[C@H]2OCCC[C@@H]23)cc1 257327986 XDRIBRYZFPQEOL-LADGPHEKSA-N 421.537 4.677 0 40 HJAB CN1C(=O)S/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)C1=O 408808357 FRSHEEQXESTTGT-YBEGLDIGSA-N 404.285 4.694 0 40 HJAB COc1cc(CNc2ccc(Cl)cc2)cc(I)c1OC 409178693 MSTIIVRZPLCNOW-UHFFFAOYSA-N 403.647 4.574 0 40 HJAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCC[C@@H](c6n[nH]c(C)n6)C5)(C4)C2)C3)cc1 540850252 CLAXRNIWLCTOMC-ZXRXAKFUSA-N 418.585 4.666 0 40 HJAB Cc1cccc([C@H](NC(=O)N2CCC3(CC2)OCc2ccccc23)c2ccccn2)c1 677989885 NXSFFIDLWMPRAM-DEOSSOPVSA-N 413.521 4.711 0 40 HJAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 654004 CNJAHCBFFLHCBU-KRWDZBQOSA-N 408.523 4.655 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)cc1 682397 TYINDGNADNDGSZ-LLVKDONJSA-N 413.109 4.926 0 40 HJAB Cc1cc(C)nc(SCc2nnc(SCc3ccccc3)n2Cc2ccco2)n1 906996 NBRLGPCXNFXHJP-UHFFFAOYSA-N 423.567 4.911 0 40 HJAB O=c1c2ccccc2n2c(-c3ccc(Cl)cc3)nnc2n1CCc1ccccc1 4193496 KUVWPFQABOFXDS-UHFFFAOYSA-N 400.869 4.607 0 40 HJAB CCCC(=O)Nc1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)cc1 4519703 OEZWFRZMUFCYQY-LFYBBSHMSA-N 417.303 4.848 0 40 HJAB O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CN1Cc1ccccc1 4903458 JBNPNVYATCJYRA-NRFANRHFSA-N 411.505 4.631 0 40 HJAB COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(F)c2)cc1 5532653 ZMICLCGILKVNKM-JOCHJYFZSA-N 415.420 4.686 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc(Cl)cc1Cl 6284508 FNMDWGZMHZMTRE-SNVBAGLBSA-N 403.103 4.840 0 40 HJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccccc2)cc1 7709849 RBHORMAVRPRVOE-UHFFFAOYSA-N 412.536 4.738 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 8328043 RAFNROBEPVDQRY-HXUWFJFHSA-N 412.486 4.976 0 40 HJAB COc1cc(C)cc2oc(=O)c(CC(=O)Nc3cc(Cl)ccc3Cl)c(C)c12 8991441 APTXMDGNKAKACE-UHFFFAOYSA-N 406.265 4.906 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2ccccc2F)CC1 9063549 IEEQQGFPTFLYRO-UHFFFAOYSA-N 402.513 4.944 0 40 HJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1nn(-c2ccccc2)c(=O)c2ccccc12 9387019 POSANKMGIQELOH-UHFFFAOYSA-N 410.260 4.945 0 40 HJAB OCc1cnc(SCc2cccc3ccccc23)n1Cc1ccc2c(c1)OCO2 9650425 DTYOZOFDOJOKEU-UHFFFAOYSA-N 404.491 4.598 0 40 HJAB O=C(CN(Cc1ccco1)C(=O)c1ccccc1F)Nc1ccccc1C(F)(F)F 9870710 JGIMDYOIKCYKKN-UHFFFAOYSA-N 420.362 4.719 0 40 HJAB Cc1nc(Nc2ncc3c(n2)C[C@@H](c2cccs2)CC3=O)nc2c(C)cccc12 10157488 DVJFFUOQSKFDSZ-CQSZACIVSA-N 401.495 4.754 0 40 HJAB CCOc1cccc2cc(C(=O)Nc3ccc(Br)cc3C)c(=O)oc12 10384402 LWXSSFLYBPAWSS-UHFFFAOYSA-N 402.244 4.515 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)c1 11613263 CUMLFMLKQIWMIF-UHFFFAOYSA-N 422.485 4.585 0 40 HJAB CCn1/c(=N\C(=O)c2ccc(Br)s2)sc2cc(Cl)ccc21 12180829 YRVWXPMXTDSINY-SAPNQHFASA-N 401.738 4.941 0 40 HJAB O=C(N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C1CCCC1 12183392 UXJCZIUQOCKKTN-FXAWDEMLSA-N 419.541 4.681 0 40 HJAB CC1CCN(Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)CC1 12980703 OHDGMRCHMAGDRU-UHFFFAOYSA-N 412.328 4.529 0 40 HJAB COc1ccc(-c2c[n+](-c3ccc(SC(F)F)cc3)c3n2CCC3)cc1OC 13496548 GEERZJQEGXKEOF-UHFFFAOYSA-N 403.474 4.710 0 40 HJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc(Br)c1 13568053 UYHBDDYCMOMRFV-UHFFFAOYSA-N 424.254 4.913 0 40 HJAB C[C@@]1(C2CCCCC2)NC(=O)N(CN2CCc3sccc3[C@@H]2c2ccccc2)C1=O 14241321 WZOZTIZXYCRVAW-URXFXBBRSA-N 423.582 4.544 0 40 HJAB CCCc1ccc(-c2nc(NC(=O)c3cccc(S(C)(=O)=O)c3)sc2C)cc1 14913965 ZXKGKQSKZDFXKS-UHFFFAOYSA-N 414.552 4.727 0 40 HJAB COc1ccc(Oc2ccc(Cl)cc2NCc2cc(=O)n3ccsc3n2)cc1 15365403 TVMCMVYPYJLLDN-UHFFFAOYSA-N 413.886 4.822 0 40 HJAB C[C@@H]1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)c2ccccc2S1 15554071 PCIVPBPCYUCREY-OAHLLOKOSA-N 402.947 4.768 0 40 HJAB O=C(CSc1nccn1Cc1ccc(F)cc1)Nc1ccc(Br)cc1 17155969 MDMGBKAQHLYLKL-UHFFFAOYSA-N 420.307 4.564 0 40 HJAB O=C(c1ccncc1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373250 AUFCOQVCPHMDAK-JOCHJYFZSA-N 422.492 4.655 0 40 HJAB Cc1ccc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)c(-c2cc(C)n[nH]2)c1 19715318 ZGTJSGLBSUIXCA-UHFFFAOYSA-N 422.439 4.804 0 40 HJAB Cc1nc([C@H]2CCCCN2C2CCCCC2)ncc1C(=O)NCc1ccc(F)cc1 19753230 NEYYCNVZNQPTCJ-JOCHJYFZSA-N 410.537 4.714 0 40 HJAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(O)=N2 20719477 FKMNLFKVXSJRJR-OAHLLOKOSA-N 406.298 4.702 0 40 HJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1cc(C)cc(C)c1 21580774 BSLLWOKCVMATOS-UHFFFAOYSA-N 401.466 4.873 0 40 HJAB CS(=O)(=O)c1ccc(F)c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 21832713 SVULRLPROBELGU-HXUWFJFHSA-N 415.511 4.701 0 40 HJAB CCC[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3cccc(C)c3)N2C1=O 21936343 PVVDJYUKFFFNRS-DNVCBOLYSA-N 420.538 4.514 0 40 HJAB Cc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1-c1ccc(F)cc1 23143911 FHNXLEGLDIXAKV-UHFFFAOYSA-N 407.832 4.739 0 40 HJAB Cc1cccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)c1C 27664274 LDBFEBSDTBEOLX-OAQYLSRUSA-N 400.950 4.679 0 40 HJAB COc1cccc(NC(=O)N2CCS[C@H]2c2cc(Br)ccc2OC)c1 28232263 YSSGGDKDQHUKQB-KRWDZBQOSA-N 423.332 4.746 0 40 HJAB Cc1cccc(OCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c1C 31903405 CSMHPYWZPUSZDD-GOSISDBHSA-N 403.482 4.816 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4cc(C)sc4n3)c2)cc1 41077365 HTNQNQZQPNGDPC-UHFFFAOYSA-N 419.506 4.513 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCCC3)cc2Cl)cc1 44883247 RLWZDRPJGNGCEU-UHFFFAOYSA-N 420.962 4.902 0 40 HJAB Cc1nc(-c2ncccn2)sc1C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 47245615 BESMDCMEDMSEPK-UHFFFAOYSA-N 410.886 4.752 0 40 HJAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 48332549 ZUQKCWISAMTZLP-ZGQNHIEXSA-N 424.497 4.649 0 40 HJAB Cn1c2c(sc1=O)[C@@H](c1ccccc1Cl)CC(=O)N2c1ccc(Cl)cc1 49543896 SNZZATSADYQGLB-CQSZACIVSA-N 405.306 4.954 0 40 HJAB COc1c(C)cccc1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 57317055 UGRHFQQHHPKMQA-UHFFFAOYSA-N 400.272 4.956 0 40 HJAB Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)[C@H]3C[C@H]3C)CC2)c1 72345320 ZLPASPXBQHSSKQ-YKSBVNFPSA-N 418.581 4.558 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(F)c(Cl)c2)S1 96118460 NEYDNDXKHZZWSU-MLGOLLRUSA-N 409.914 4.985 0 40 HJAB O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1cccc(C(F)(F)F)c1 96190125 JJQVNNKBUPSKOF-UHFFFAOYSA-N 412.717 4.581 0 40 HJAB COc1ccc([C@@H]2CC3=Nc4nonc4N[C@@H](c4cccc(F)c4F)C3=C(O)C2)cc1 102735695 OPGRRHOGBQABHO-ODXCJYRJSA-N 424.407 4.985 0 40 HJAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2cc(C)ccc2C)cc1 102747596 QMRMWHQBABTUIB-RCXJIHSJSA-N 422.569 4.619 0 40 HJAB C[C@@H]1C[C@@H](C)CN([C@H](c2ccccc2)c2sc3nc(-c4ccco4)nn3c2O)C1 102894116 UXNTVZZJUCUIIL-IIDMSEBBSA-N 408.527 4.824 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 222546127 AMOSNAKLACPWRS-UHFFFAOYSA-N 422.550 4.943 0 40 HJAB Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223356274 KBVGLQMBPINUDM-FGZHOGPDSA-N 418.497 4.777 0 40 HJAB CC(C)C(NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C 223974586 FEWHNKMHYUCCFH-UHFFFAOYSA-N 408.951 4.551 0 40 HJAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccccc1OC 224243385 OGUMNLDEYFSVCE-UHFFFAOYSA-N 407.466 4.852 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 224652507 IIFZELLGUVPMPS-JOCHJYFZSA-N 414.977 4.771 0 40 HJAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2c(Cl)cccc2Cl)cc1 245226159 JMQDJVKWVJQKTP-ISZNXKAUSA-N 414.288 4.884 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)Cc3cccc(F)c3)CC2)on1 257199892 ABEBSJCYPWZYKC-UAPYVXQJSA-N 422.504 4.520 0 40 HJAB Cc1cccc(OCCCC(=O)N2CCCC[C@H]2c2nnc(-c3cccnc3)o2)c1C 257295618 QZEBLWKQVLFXBT-FQEVSTJZSA-N 420.513 4.661 0 40 HJAB CC(C)(C)C(=O)N[C@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)C2CCCCC2)CC1 257303630 SIACQPYNAFQAJU-LNLFQRSKSA-N 419.635 4.849 0 40 HJAB CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)N(C)C1=S 409035824 UGHKEQJJIKBARF-YBEGLDIGSA-N 407.322 4.602 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 409335920 ZRKKKLQUINVJQQ-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB C[C@@H](NC(=O)CN1CCN(CC2CC2)c2ccccc21)c1ccc(Cl)cc1Cl 1657714297 JZXUFVIHWHMVNG-OAHLLOKOSA-N 418.368 4.907 0 40 HJAB COc1cc2c(cc1OC)C(Cc1ccc(OCc3ccccc3)c(OC)c1)=NCC2 689945 YPDPXLXQZBEHOG-UHFFFAOYSA-N 417.505 4.879 0 40 HJAB biogenic,in-vitro O=C(NCc1cccs1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 865969 FXJHEMTUGNGZDD-GOEBONIOSA-N 424.423 4.674 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)N3CCC(Cc4ccccc4)CC3)o2)c1 882249 PHPIDHTZMACBNQ-UHFFFAOYSA-N 407.539 4.618 0 40 HJAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NC3CCCCC3)cc2c1 916792 KAYNRUJIVGGPSA-UHFFFAOYSA-N 423.582 4.893 0 40 HJAB Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O 987416 XHWHKSWCBKZUJR-WOJGMQOQSA-N 408.504 4.885 0 40 HJAB COc1ccc(N2C(=O)c3cc(C)nc(SCc4ccc(F)cc4)c3C2=O)cc1 1405540 WLAIGMTXUVVNID-UHFFFAOYSA-N 408.454 4.631 0 40 HJAB COc1ccccc1-c1c(NC(=O)c2ccc(F)cc2)n(C)c2ccccc2c1=O 2348604 SGSGLUUSEQGASV-UHFFFAOYSA-N 402.425 4.606 0 40 HJAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccco3)o2)cc1 2478329 FZIABYJVKVVJOL-UHFFFAOYSA-N 408.479 4.996 0 40 HJAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc(SC(F)F)cc1 3303762 GQHACEDGBFKUSR-UHFFFAOYSA-N 404.438 4.597 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccco1)Cc1nc2ccccc2s1 3359405 YHPSFUDCGDHBKA-UHFFFAOYSA-N 418.927 4.934 0 40 HJAB Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1-n1nc2ccccc2n1 4017332 LANHORHYQVXOSX-UHFFFAOYSA-N 408.255 4.711 0 40 HJAB CC[C@]1(C(=O)c2ccc(C)cc2)[C@@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)OC 4601974 KQWIHRUGKSRLSB-BYXVTNLJSA-N 414.457 4.603 0 40 HJAB CC(C)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccccc2F)cc1 4732494 FZUGFXSPMCCYBY-UHFFFAOYSA-N 415.472 4.903 0 40 HJAB COC(=O)[C@H](C)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 4740104 XJJAFZNGKMUBPU-UPCLLVRISA-N 410.473 4.942 0 40 HJAB c1ccc(-c2cc(-c3nn4c(-c5cnccn5)nnc4s3)c3ccccc3n2)cc1 4784616 QHYRMJWTAMTREL-UHFFFAOYSA-N 407.462 4.525 0 40 HJAB COC(=O)c1ccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc23)cc1 5576887 ODFFTYCWINFSKI-UHFFFAOYSA-N 402.406 4.590 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cncc(Br)c1 6879098 SSVHSCCJLNPAOT-UHFFFAOYSA-N 400.301 4.709 0 40 HJAB O=C1c2ccccc2N[C@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1C1CC1 7886298 AQRWLUWDKQMAAG-DEOSSOPVSA-N 407.477 4.663 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccc(-n2cncn2)cc1 8229683 UCADWUDIBOMDKS-UHFFFAOYSA-N 401.495 4.522 0 40 HJAB COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 8472176 WMFAOEDAJQMNPL-UHFFFAOYSA-N 411.885 4.946 0 40 HJAB COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 9094702 MWQMQWVNYUYFCD-UHFFFAOYSA-N 424.280 4.537 0 40 HJAB O=C(O)C[C@H](Cc1nc2ccccc2[nH]1)c1ccccc1OC(=O)c1ccccc1 9517190 DVOUCMDWSIDAEJ-KRWDZBQOSA-N 400.434 4.583 0 40 HJAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(I)cc1 12905523 OAXZHJQLBXYFLW-UHFFFAOYSA-N 406.248 4.667 0 40 HJAB Cc1cc(C)cc(NC(=O)COC(=O)/C=C/c2cc(C)n(Cc3ccco3)c2C)c1 13038843 OJSNTAMZKNVSSH-BQYQJAHWSA-N 406.482 4.558 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1N1CCOCC1 14125687 LQLRMLRHODVVEK-UHFFFAOYSA-N 409.313 4.626 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 15601443 OLKNYPSGXVJMKG-HXUWFJFHSA-N 406.507 4.986 0 40 HJAB CC(=O)Nc1ccc2nc(NC(=O)c3cc(Br)ccc3Cl)sc2c1 16321427 AIDCTFDKELGHJY-UHFFFAOYSA-N 424.707 4.923 0 40 HJAB Cc1ccc(CN(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)c1 18213478 MPBGEFCDTRKKNC-UHFFFAOYSA-N 405.464 4.592 0 40 HJAB COc1ccc([C@H]2N3CCc4c([nH]c5ccccc45)[C@@H]3[C@H]3CCCCN32)c(OC)c1 19329925 OPAURFWSUNCBPO-IEZKXTBUSA-N 403.526 4.651 0 40 HJAB COc1cccc(-c2ccc(CN3C[C@@H]4CCC[C@H](C3)C4(O)c3ccccn3)cc2)c1 19566638 FJFCQFQKWNMMHL-VKSRLUHHSA-N 414.549 4.877 0 40 HJAB COc1ccc(-c2nc3cc(NC(=O)COc4ccc(C)cc4)ccc3o2)cc1OC 20412027 MKGPSDODEODFLN-UHFFFAOYSA-N 418.449 4.838 0 40 HJAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1cccc(O)c1 21005560 YEQDAFIMJADGIU-HSZRJFAPSA-N 411.461 4.731 0 40 HJAB COc1ccc([C@H](CC(=O)N(Cc2ccccc2)c2ccc(C)cc2)NC(C)=O)cc1 21446573 BRYKRPROGUHMRK-VWLOTQADSA-N 416.521 4.804 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccc(C)cc3)n2)cc1 21792113 KGBKJTLMVMBUJP-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 23510448 QKPLXTNKQRPIDS-UHFFFAOYSA-N 424.419 4.905 0 40 HJAB O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1C[C@@H](O)c1ccccc1 24990521 LUJZBAOBXFSXMV-HXUWFJFHSA-N 421.294 4.560 0 40 HJAB O=C(Cc1ccccc1F)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 26403309 SLKYSNRHAMAPGI-UHFFFAOYSA-N 402.513 4.947 0 40 HJAB COC(=O)c1cc(-c2csc(NC(=O)c3sc4cccc(F)c4c3C)n2)c[nH]1 30986636 IKVQUSOORTVSQN-UHFFFAOYSA-N 415.471 4.839 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H](C)c3ccco3)c2)c1 32744800 PESNURQJGIKMNB-AWEZNQCLSA-N 418.902 4.533 0 40 HJAB C[C@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)N1CCc2ccccc2C1 32868662 DWWHXUHKCLEEMX-INIZCTEOSA-N 415.518 4.955 0 40 HJAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccccc1N1CCc2sccc2C1 32916048 DFPAWFKRGDQHSQ-UHFFFAOYSA-N 402.523 4.758 0 40 HJAB COc1cc(CNC(=O)Cc2csc(-c3ccco3)n2)ccc1OCCC(C)C 32930835 RPQZMCBSVPYIPI-UHFFFAOYSA-N 414.527 4.696 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)ccc2C)c1 33716523 QMQQPMURIMBBIW-LJQANCHMSA-N 422.550 4.904 0 40 HJAB COc1ccc(-n2nc(C)c3c(C(=O)Nc4ccccc4Cl)cc(C)nc32)cc1 36615847 OAXYTNWXAVTBBX-UHFFFAOYSA-N 406.873 4.952 0 40 HJAB COC(=O)c1c(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)sc2c1CCCC2 36620636 SHFWALYGOYJLDW-MRXNPFEDSA-N 402.491 4.922 0 40 HJAB CCOC(=O)c1cc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)ccc1Cl 44939634 FFKBJHITHXOSFG-UHFFFAOYSA-N 414.933 4.676 0 40 HJAB O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCC[C@@H]1C1CCCCC1 47675111 MLTWJASEJKWUPU-GOSISDBHSA-N 407.440 4.863 0 40 HJAB CN(C)CCn1ccc2cc(NC(=O)c3ccccc3C(=O)c3ccccc3)ccc21 58162273 WFFWVODRAPEYPH-UHFFFAOYSA-N 411.505 4.686 0 40 HJAB CCC[C@H](NC(=O)CCCNC(=O)c1ccsc1)c1cccc(C(F)(F)F)c1 58218090 WOJDKSLTLYVVCD-KRWDZBQOSA-N 412.477 4.935 0 40 HJAB O=c1c2sccc2n(Cc2ccccc2Cl)c(=O)n1-c1ccc(Cl)cc1 67258349 UPFNHANWVLOTPF-UHFFFAOYSA-N 403.290 4.569 0 40 HJAB CC(C)CC(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccccc3)CC2)o1 72344936 KDKJKODGQWYKMP-NRFANRHFSA-N 410.562 4.549 0 40 HJAB O=C(COc1nnc(-c2ccccc2)o1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 84569210 AEWOFHFSDOZBRP-KRWDZBQOSA-N 418.280 4.786 0 40 HJAB C[C@@H]1CN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)c2ccccc21 84715167 WMYCCIJQCYIBJG-HZPDHXFCSA-N 414.347 4.609 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)[C@H]1Oc2ccccc2O[C@H]1C 90593217 MFHLLTRGHKLIFL-DJJJIMSYSA-N 414.914 4.617 0 40 HJAB CCOc1cc(CN[C@H](C)c2ncc(C)o2)ccc1OCCOc1ccc(F)cc1 95468632 DMNJBEHCXPBJHN-QGZVFWFLSA-N 414.477 4.829 0 40 HJAB CC(C)(C)OC(=O)Nc1cccc2c1CCCN2C(=O)c1ccnc(OC2CCC2)c1 95977360 WUWWNETUHNPXKN-UHFFFAOYSA-N 423.513 4.953 0 40 HJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 96237066 XWDKLDAGGPSHHL-CQSZACIVSA-N 407.948 4.981 0 40 HJAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100770249 FOMDFGUQTIWHEP-XPCYVFFJSA-N 410.396 4.528 0 40 HJAB CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(C(=O)c3ccccc3)cc1)n2C 100845984 RXQKIVXOXPCBIS-IZHYLOQSSA-N 416.502 4.611 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 222905075 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COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 253617359 VCWDOHJFKGOMRJ-WUYXLTPYSA-N 402.575 4.983 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 260577927 PKURWUSWWPZKCX-MBSDFSHPSA-N 422.569 4.959 0 40 HJAB CCCCSc1nc2ccc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2s1 408750537 OPYLPWAJLFPZPA-IYVPYFHTSA-N 402.541 4.650 0 40 HJAB COc1cccc(CN2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)c1 1203819725 ZSWMTARCZCPVRM-UKILVPOCSA-N 418.562 4.779 0 40 HJAB C[C@H](NC(=O)c1cccc(Nc2nccs2)c1)c1ccc(NC(=O)C2CC2)cc1 1540724231 VLUSRFOHYZIHMC-AWEZNQCLSA-N 406.511 4.726 0 40 HJAB Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](c1ccccc1F)[C@@H](C)O 1640726321 UOXJPFQVEIYGLE-ADLMAVQZSA-N 422.378 4.660 0 40 HJAB COC(=O)c1cc2c3cc(C(=O)OC)sc3n(Cc3ccc(OC)cc3)c2s1 642844 KIJQOTXEZGWHBB-UHFFFAOYSA-N 415.492 4.548 0 40 HJAB O=C1O[C@@H](c2ccc3c(c2)OCO3)N(C(=O)c2cc3ccccc3o2)c2ccccc21 707454 XLYYESBHCDKTHG-QHCPKHFHSA-N 413.385 4.678 0 40 HJAB C[C@@H]1CCCN(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 901702 GMTPLPOTVWTVSF-LLVKDONJSA-N 401.479 4.575 0 40 HJAB CC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccccc32)cc1 990078 ZDXJYGGAGHWCTP-MHZLTWQESA-N 413.517 4.860 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CCC(=O)OCc1ccc(Br)cc1 1861630 QBCXPAOOCZCTIR-UHFFFAOYSA-N 410.695 4.873 0 40 HJAB CCCCN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)S/C1=N\c1ccccc1 2174522 GMPFTFRWUHRMSO-QUBBQYHMSA-N 411.527 4.520 0 40 HJAB Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1C 2447019 NRDVWWMBHJDSJO-UHFFFAOYSA-N 423.929 4.817 0 40 HJAB Cn1c([C@H]2Sc3ccccc3NC2=O)ccc1[C@H]1Sc2ccccc2NC1=O 3353377 YVYPZZKMPZYZJS-RTBURBONSA-N 407.520 4.596 0 40 HJAB CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1c(C)cc(C)cc1C 4671158 HXGHAJJAKDSRBD-UHFFFAOYSA-N 411.523 4.979 0 40 HJAB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2Cl)CC1 4733253 ORZFRXVTNYNULQ-UHFFFAOYSA-N 420.340 4.613 0 40 HJAB Cc1oc2cc3oc(=O)c(CC(=O)N4CCCC4)c(C)c3cc2c1-c1ccccc1 4744406 IICHWBSOEXKHER-UHFFFAOYSA-N 401.462 4.988 0 40 HJAB O=C(Cc1ccccc1)NC1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 4888524 JJKUQVGOVQLCRL-UHFFFAOYSA-N 413.521 4.768 0 40 HJAB CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)c1 5324040 DHKTTWNEWJHSSL-JOCHJYFZSA-N 412.445 4.645 0 40 HJAB COc1ccc(-c2oc3ncnc(NCCN(C)C)c3c2-c2ccc(OC)cc2)cc1 5347314 RAQJGYJLNHXTPB-UHFFFAOYSA-N 418.497 4.548 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)cc1Cl 5448511 FBAXFAMSLLDFNN-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB COC(=O)c1ccccc1Oc1nc(-c2cccc(OC)c2O)nc2ccccc12 5561081 YOQDTCDYONKIMO-UHFFFAOYSA-N 402.406 4.590 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)c1 6214009 BPCBIXAOAZFYKH-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1O 6464460 SUAPRTIICPPQPX-CAOOACKPSA-N 407.850 4.820 0 40 HJAB C[C@@H]1c2cc3c(cc2CCN1C(=O)c1cccnc1Oc1ccccc1)OCCCO3 6758145 XIFCFWKEKLEMMA-QGZVFWFLSA-N 416.477 4.795 0 40 HJAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)c1ccccc1 7087749 HSVMCYDSRNIJSE-SFHVURJKSA-N 414.962 4.837 0 40 HJAB Cc1ccc(Cc2nnc(SCc3ccc(I)cc3)o2)cc1 9198876 IAZSUXLBWQQTJO-UHFFFAOYSA-N 422.291 4.866 0 40 HJAB Cc1ccc(N2C(=O)N(Cc3ccc(C(=O)Nc4ccccc4)cc3)C(=O)[C@@H]2C)cc1 9446770 OIDZICOWONHCEB-SFHVURJKSA-N 413.477 4.605 0 40 HJAB Cc1ccc(Oc2ccc(Cl)cc2NCC(=O)Nc2ccc(C(N)=O)cc2)cc1 9482801 XCCXINHDWZQSBH-UHFFFAOYSA-N 409.873 4.590 0 40 HJAB CCc1ccccc1NC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 10187837 URBYBCODAUPPIO-UHFFFAOYSA-N 400.400 4.730 0 40 HJAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NC1CCCCCCC1 10369972 VMACULWGXXKJOU-UHFFFAOYSA-N 400.544 4.639 0 40 HJAB CC(=O)NCCc1ccc(-c2csc(NC(=O)C[C@@H](C)c3ccccc3)n2)cc1 11453868 JVEPDBACJMUICU-MRXNPFEDSA-N 407.539 4.621 0 40 HJAB Cc1csc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)n1 12785543 WILLHSSTQBEMAN-UHFFFAOYSA-N 402.523 4.851 0 40 HJAB COC(=O)c1cccc2c1CCCN2C(=O)CSCc1ccc(Cl)c(Cl)c1 12920396 AYRLKZCBTWNCQB-UHFFFAOYSA-N 424.349 4.993 0 40 HJAB CSCc1nnc(SCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)o1 12944722 LFQJCUGMQSGDHK-SFHVURJKSA-N 419.959 4.584 0 40 HJAB COc1ccc(/C=C2\SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1 13477005 IJWFSHRVLFTAGS-YBEGLDIGSA-N 419.300 4.564 0 40 HJAB COc1ccc2nc(-c3ccc(C)c(NC(=O)Nc4ccc(C)cc4C)c3)cn2n1 13710860 OJZUPQRRGKAQCD-UHFFFAOYSA-N 401.470 4.974 0 40 HJAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2ccccc2O)c1C 14405662 GSFZAVMAJYRSNQ-UHFFFAOYSA-N 406.486 4.510 0 40 HJAB O=C(N[C@H](CC(=O)N1CCc2sccc2C1)c1ccccc1)c1ccccc1Cl 14804081 SQCKPKMCGLYATN-HXUWFJFHSA-N 424.953 4.848 0 40 HJAB CCc1ccc(Cl)c(CC)c1NC(=O)COc1ccc(N2CCCC2=O)cc1 16962123 TVTONXWBZYCWKJ-UHFFFAOYSA-N 400.906 4.609 0 40 HJAB COc1ccc(C(=O)Nc2nc(CC(=O)Nc3cccc(Cl)c3C)cs2)cc1 16991383 KWOGGSRJVCZVIB-UHFFFAOYSA-N 415.902 4.547 0 40 HJAB O=C(COc1ccccc1F)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 19350175 PVGFCLQWVCHDCU-UHFFFAOYSA-N 421.394 4.506 0 40 HJAB COc1ccc2nc(CN3CCCC[C@@H]3c3nnc(-c4scnc4C)o3)ccc2c1 19562613 KTJLKYZEQRFRMU-LJQANCHMSA-N 421.526 4.786 0 40 HJAB Cc1noc2nc([C@H]3CCCN(Cc4c[nH]nc4C(C)(C)C)C3)cc(C(F)F)c12 19564304 DCIURIMEACDTJB-ZDUSSCGKSA-N 403.477 4.869 0 40 HJAB Cc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)c3cnn(C)c3C)CC2)n1 19691576 AAPOUAGNLNYPIT-UHFFFAOYSA-N 422.960 4.696 0 40 HJAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)c2ccccn2)n1 19694479 CVEBWFKFRTUMJC-FQEVSTJZSA-N 421.932 4.625 0 40 HJAB Nc1cc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)ccc1N1CCOCC1 20154165 TWQCBERHRWYPKE-JXMROGBWSA-N 423.900 4.671 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1Cl 20489960 VBVNPEBICXGAAN-UHFFFAOYSA-N 400.906 4.755 0 40 HJAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4ccccc4)nn3cc21 20632528 IEFMQJJRHAIKNB-MRXNPFEDSA-N 420.925 4.983 0 40 HJAB CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2coc(-c3ccc(C)cc3C)n2)C1=O 24764077 HOCLGOTUYXINRB-DEOSSOPVSA-N 403.482 4.706 0 40 HJAB COC(=O)c1cccc2c1CCCN2C(=O)c1cc(Cl)c(OC(C)C)c(OC)c1 25192028 RMWINLVTFXQDPQ-UHFFFAOYSA-N 417.889 4.515 0 40 HJAB C[C@H](NC(=S)Nc1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)N1CCOCC1 25329191 BIFGJZQFTVKJMP-LIRRHRJNSA-N 424.397 4.742 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)O[C@H](C)C(=O)c2ccc(C)c(C)c2)no1 26583440 GJSKCYQNPLUOOI-MRXNPFEDSA-N 410.495 4.715 0 40 HJAB Cc1ccc(N(CC(=O)c2ccc(Br)cc2)C2=N[C@H](C)CS2)cc1 27027111 OABCNOCBLRPLRJ-CQSZACIVSA-N 403.345 4.938 0 40 HJAB Cc1cccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)c1C 27664275 LDBFEBSDTBEOLX-NRFANRHFSA-N 400.950 4.679 0 40 HJAB CCc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(OC)c2)cc1 28527985 FVZVOUXVPRKWFH-UHFFFAOYSA-N 419.529 4.814 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 32753800 HXUOTUXYUKJKOG-UHFFFAOYSA-N 420.896 4.731 0 40 HJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2CCc3ccccc3C2)cc1 36293377 AYOOCMNRWSGYRB-UHFFFAOYSA-N 420.490 4.639 0 40 HJAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 40103795 HRCZKTUNRHLPAU-KRWDZBQOSA-N 400.954 4.625 0 40 HJAB CC(=O)Nc1cccc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1 40128268 ACJMWEFTXDBQFY-UHFFFAOYSA-N 407.518 4.829 0 40 HJAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 40140801 XQGKFBNCMORABU-NWDGAFQWSA-N 424.385 4.650 0 40 HJAB Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)Cc1ccccc1 45890818 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414.889 4.620 0 40 HJAB Cc1cc(NC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 539300861 IWBZFNNGDHXZJK-PZBISTMVSA-N 410.518 4.754 0 40 HJAB COc1ccc(-c2nc(-c3ccc(F)c(F)c3)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547200829 JIBVIJNTUJYALW-UHFFFAOYSA-N 410.376 4.665 0 40 HJAB CC1CCN(C(=O)C2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)CC1 778805 MQGOVLVEKYPJSL-UHFFFAOYSA-N 406.570 4.736 0 40 HJAB CCOC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 845333 BWCLREDASKFJDF-UHFFFAOYSA-N 404.175 4.899 0 40 HJAB COc1ccc(Cc2nnc(NC(=O)c3ccc(Cl)c(Cl)c3)s2)cc1OC 1271999 UFOLLCAMDKIEHB-UHFFFAOYSA-N 424.309 4.705 0 40 HJAB COc1ccc(NC(=O)c2c(C(F)(F)F)nn(C)c2Sc2ccccc2)cc1 1385366 DNLWVQBLVYXOFN-UHFFFAOYSA-N 407.417 4.851 0 40 HJAB CCOc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)ccc1O 2152534 BTBDBSRVDAICNZ-IASOSFQKSA-N 421.537 4.699 0 40 HJAB O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccc2ncsc2c1 3445281 QZMMUTHWBWNEQT-UHFFFAOYSA-N 400.544 4.947 0 40 HJAB O=C(O)c1ccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)cc1 4557648 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Cc1cc(NC(=O)[C@@H](Sc2n[nH]c(/C=C/c3ccccc3)n2)c2ccccc2)no1 12926872 ZTBDELXFFDPTOA-SJFMBGHLSA-N 417.494 4.744 0 40 HJAB Clc1ccc(OCc2nnc(SCc3noc(-c4ccsc4)n3)o2)cc1 12951067 AWPOEWLSEHKMGC-UHFFFAOYSA-N 406.876 4.706 0 40 HJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C)cc3C)oc12 13138860 STXINOOIXFMBIV-FLFQWRMESA-N 405.479 4.999 0 40 HJAB COC(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1cc(=O)oc2cc(OC)ccc12 13723920 ZIVIOGXNABJZPG-HNNXBMFYSA-N 407.249 4.608 0 40 HJAB COc1ccc2[nH]cc(CCNC(=O)c3sc(-c4ccc(C)cc4)nc3C)c2c1 13736655 VWGOZNSCHCEFOW-UHFFFAOYSA-N 405.523 4.889 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)n1C 13842438 KFBSESIKGWQXCE-UHFFFAOYSA-N 424.570 4.811 0 40 HJAB CN1c2ccccc2Oc2cc(Cl)c(C(=O)Nc3ccccc3)cc2S1(=O)=O 15109638 JAMQJPNEQBUVAO-UHFFFAOYSA-N 414.870 4.523 0 40 HJAB COC(=O)c1sccc1NC(=O)/C=C/c1cc(Cl)c(OC(C)C)c(OC)c1 15606730 WPAXXJMNMIFTAS-AATRIKPKSA-N 409.891 4.636 0 40 HJAB COc1cccc(-c2nc(COC(=O)CCn3ccc4ccccc43)cs2)c1OC 16118358 PPAZCUXBXMSTLU-UHFFFAOYSA-N 422.506 4.916 0 40 HJAB 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CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OC)c2)CCC[C@H](C)C1 225853658 MMVOCTBWAGBLHR-SBUREZEXSA-N 405.535 4.822 0 40 HJAB O=C(c1cccc(Nc2ncccn2)c1)N1CCC(Cc2cccc3cccnc23)CC1 257278896 OECJDYWSFJREHW-UHFFFAOYSA-N 423.520 4.863 0 40 HJAB COc1ccc([C@@H]2CN(c3ccccc3)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)cc1 257285962 PJOKTOLKWDVOLR-VABKMULXSA-N 408.542 4.925 0 40 HJAB COc1ccc(N(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2)c(OC)c1 408622970 CBLHNXPJMBTFAM-UHFFFAOYSA-N 417.914 4.753 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 408694886 JCPFDROMMGFSOP-SFHVURJKSA-N 424.522 4.510 0 40 HJAB O=C1S/C(=C\c2cc3c(cc2Cl)OCO3)C(=O)N1Cc1ccc(Cl)cc1 408876272 OHWCUSAVUXKYLV-SOFYXZRVSA-N 408.262 4.959 0 40 HJAB Cc1cc(Br)c(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1C 409195691 RRKRUJVHJDFQOF-UHFFFAOYSA-N 420.347 4.764 0 40 HJAB O=C(O)c1ccccc1-c1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)o1 409212467 QHZAHQWAWWDQTA-ZHZULCJRSA-N 419.458 4.924 0 40 HJAB CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1cccc2ccccc12 409272159 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O=S(=O)(c1ccccc1)c1nc(/C=C/c2ccccc2)oc1NCc1ccco1 4070247 DNEWPNVGWSNACC-BUHFOSPRSA-N 406.463 4.883 0 40 HJAB CCCCNC(=S)N(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 4132584 PJMAOZRMXNZARC-UHFFFAOYSA-N 407.583 4.822 0 40 HJAB O=C(O)C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(OC2CCCC2)cc1 4653999 CKGFSJKOUFSHNS-TVHGACNRSA-N 411.542 4.856 0 40 HJAB Cc1ccc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1 4674628 CSPXEYAJCCWOEN-VWLOTQADSA-N 419.908 4.964 0 40 HJAB CC[C@@H](C)NC(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 4713930 POHKRNPXCKMSRA-MRVPVSSYSA-N 402.829 4.658 0 40 HJAB C1CCC2(CC1)OC[C@@H]([C@@H]1OC3(CCCCC3)O[C@@H]1[C@H]1COC3(CCCCC3)O1)O2 5214490 WGMZNGZBEGHRHH-FXELSEDVSA-N 422.562 4.582 0 40 HJAB Cc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(C)nc4c32)cc1 5339663 DMJVCNHXQULITL-FQEVSTJZSA-N 408.465 4.521 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2CC)cc1 5518091 JQQBMNLGDOWHEZ-UHFFFAOYSA-N 400.935 4.912 0 40 HJAB Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccc4c(c3)CCC4)cc12 5721902 CRXQRFFXOQXMMR-UHFFFAOYSA-N 404.901 4.776 0 40 HJAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c1 6263071 DIUNGMWCKWBXGS-UHFFFAOYSA-N 405.932 4.864 0 40 HJAB CCCNc1c(NC(=O)c2ccccc2Br)c(=O)oc2ccccc12 6917519 UCDSIUPBXXOGRY-UHFFFAOYSA-N 401.260 4.630 0 40 HJAB Cc1ccc(N2C(=O)CS[C@]23C(=O)N(Cc2ccccc2)c2ccccc23)cc1F 6997026 IXNIICQIVOEAIR-XMMPIXPASA-N 418.493 4.614 0 40 HJAB COc1ccc(-c2nnc([C@H](C)Sc3nncn3-c3cccc(Cl)c3)o2)cc1 7020121 PNEFFBOQZQVRIB-LBPRGKRZSA-N 413.890 4.833 0 40 HJAB CC(=O)N(c1nc(COC(=O)c2c[nH]c3ccccc23)cs1)c1ccccc1F 7509159 XKOMUWUMXVFHSS-UHFFFAOYSA-N 409.442 4.805 0 40 HJAB O=C(CSc1nc2ccccc2[nH]1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 8134873 MSHRTDQKAKYZFU-MRXNPFEDSA-N 408.508 4.687 0 40 HJAB COc1ccccc1CN(C(=O)Nc1ccc(C)cc1)c1nnc2n1CCCCC2 8550221 NOFJTJLYWQDRGD-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)c1 10433851 FNWYKAPMBSKASC-LJQANCHMSA-N 422.550 4.764 0 40 HJAB COc1cccc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc3nccnc3c2)c1 12422073 GLDAGKLNVWNCLM-DEOSSOPVSA-N 408.461 4.630 0 40 HJAB O=C(NCCOc1ccccc1F)c1cn(Cc2ccccc2)nc1-c1ccccc1 12567069 APSGWFFDCTVKMG-UHFFFAOYSA-N 415.468 4.546 0 40 HJAB Cc1ccc(Nc2nc(-c3cc(C)n([C@@H]4CCS(=O)(=O)C4)c3C)cs2)cc1F 12873634 YHHMNRZPRVMVAR-MRXNPFEDSA-N 419.547 4.779 0 40 HJAB CCOc1ccc(OCC)c(NC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)c1 13005632 NSLSUINCHXMURO-FYWRMAATSA-N 405.498 4.938 0 40 HJAB O=C(Nc1cccc(Br)c1)N1CCN(Cc2ccc(Cl)s2)CC1 13324968 JFOXWRXXUKWHKY-UHFFFAOYSA-N 414.756 4.514 0 40 HJAB Cc1cc(C)cc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 15881601 NSAGBQCXXZQYGP-LJQANCHMSA-N 420.962 4.529 0 40 HJAB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 16439864 JPQZPJQZOLHTHI-WUXMJOGZSA-N 421.678 4.665 0 40 HJAB O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1ccc(NC(=O)c2ccco2)cc1 17885255 ZMDANUVPWOHQSE-UHFFFAOYSA-N 411.282 4.584 0 40 HJAB CN(CCOc1ccc(Br)cc1)C(=O)c1csc(-c2ccccc2)n1 18047474 UUCUZNZJTGYWNN-UHFFFAOYSA-N 417.328 4.724 0 40 HJAB Cc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2ccc(F)c(Cl)c2)on1 19121393 LXEMLLPTEMPRPN-QGZVFWFLSA-N 402.857 4.543 0 40 HJAB Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4nccc5ccccc45)o3)C2)s1 19216911 JDXAKCMMNIJZBX-MRXNPFEDSA-N 404.495 4.675 0 40 HJAB CCOc1ccccc1-c1nnc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)s1 19656024 FLHWPOXPVCRQGI-UHFFFAOYSA-N 419.510 4.659 0 40 HJAB CNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)C2CCCC2)CC1 19700406 LLCONUXMVXVRBG-UHFFFAOYSA-N 418.581 4.750 0 40 HJAB CCOc1cccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 20177707 UXMZSZNJONIMDZ-UHFFFAOYSA-N 400.522 4.633 0 40 HJAB C[C@@H](SC(=S)N1CCCC1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 22159984 BURHLODVOIJISA-GFCCVEGCSA-N 401.582 4.827 0 40 HJAB CN(C)[C@@H](CNC(=O)c1c(-c2ccccc2)n(C)c2ccccc12)c1cccs1 24757434 NLYRPNXWAONJRG-FQEVSTJZSA-N 403.551 4.940 0 40 HJAB COc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1OC 26124367 FIYNGIDPUDIUJO-UHFFFAOYSA-N 422.872 4.652 0 40 HJAB COc1ccc([C@@H](CNC(=O)COc2ccc(C(C)C)cc2)N2CCCCCC2)cc1 27583014 JFHRCZNEDBSVEK-RUZDIDTESA-N 424.585 4.931 0 40 HJAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 32622708 SEUVIZUTLKZQBZ-MRXNPFEDSA-N 415.449 4.818 0 40 HJAB C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 32622710 XSNKRZCHRJNKKU-OAHLLOKOSA-N 403.413 4.949 0 40 HJAB O=C1N/C(=N\c2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1ccc(O)c(O)c1 35644404 NGNDFYAIGXSWEQ-MKMNVTDBSA-N 414.792 4.662 0 40 HJAB COc1ccc2nc(C)c(C(=O)NCc3ccc(-c4csc(C)n4)cc3)cc2c1 40024175 SKSCVIHFOLEGSA-UHFFFAOYSA-N 403.507 4.914 0 40 HJAB O=C(Nc1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1)[C@H]1CCCO1 40133144 SAGVQAXYUOAYBN-DHIUTWEWSA-N 416.477 4.563 0 40 HJAB O=C(NCc1ccccc1C(F)(F)F)c1cc(-c2ccc(Br)cc2)[nH]n1 44838928 NWUTVZCFPBRYSM-UHFFFAOYSA-N 424.220 4.788 0 40 HJAB O=C(CSC[C@H](O)c1ccccc1)Nc1cccc(CSc2ccccn2)c1 50248261 XGHKJJPEIXJVID-FQEVSTJZSA-N 410.564 4.779 0 40 HJAB O=C(Nc1nnc(-c2ccccn2)s1)c1cccc(-n2nccc2-c2ccccc2)c1 58144806 CRIRGFFYHJSUQC-UHFFFAOYSA-N 424.489 4.705 0 40 HJAB COc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 59167706 GVFGUENFPVMTGC-VIZOYTHASA-N 424.261 4.545 0 40 HJAB CCCc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)c3ccc(-n4cncn4)cc3)c12 65609426 ZALMTLPZCTZMMA-AWEZNQCLSA-N 417.469 4.551 0 40 HJAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c(C)c1 67292800 RCXQQCHUTJKYNX-RHGYLGJDSA-N 410.901 4.844 0 40 HJAB COc1ccccc1Cc1cccc(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 72348686 GIPFPFLBAGVNJB-UHFFFAOYSA-N 404.485 4.840 0 40 HJAB O=C(CCOc1ccccc1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72358271 IPRLXBQEXKHVND-DEOSSOPVSA-N 404.485 4.944 0 40 HJAB Cc1ccc2c(CN(Cc3ccccc3)C[C@H](O)c3ccsc3)cc(=O)oc2c1 84208409 UADYZFACHABWOK-QFIPXVFZSA-N 405.519 4.899 0 40 HJAB CC[C@@H](NC(=O)CCc1cc(F)ccc1F)[C@H](O)c1ccc(C(F)(F)F)cc1 95972126 RHXKEAVOIKSFSB-IEBWSBKVSA-N 401.375 4.545 0 40 HJAB CCn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)c(C)n1 118916070 KQSUPNWTORYXDA-JMTKTWDGSA-N 412.618 4.969 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cc(C)ccc3C)c2)cc1 222539895 RONZFEVYUZEZTF-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 222940759 TVRNCDUGEOBHBV-FQEVSTJZSA-N 423.513 4.517 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 223284670 XNKSABCKFOUVMC-INIZCTEOSA-N 421.368 4.870 0 40 HJAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 223711458 LPYABPNUTZRVMA-DEOSSOPVSA-N 422.613 4.946 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 223949295 QQBMMZZXCPCNQG-INIZCTEOSA-N 421.368 4.788 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 224183690 SQOBAYIWYIGIFK-QFIPXVFZSA-N 412.599 4.729 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 224242424 GDWBCUFITGMECL-QHCPKHFHSA-N 424.610 4.953 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 224631261 BHWYDYPSWUSHIF-QFIPXVFZSA-N 412.599 4.667 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)cc1 224696884 FUHHVWMIXUEYBP-IBGZPJMESA-N 424.560 4.797 0 40 HJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1C(C)C 224812890 NBYMSLDYKFGJAY-UHFFFAOYSA-N 412.349 4.999 0 40 HJAB COc1ccccc1Cn1c(SC(C)C)nc2c(-c3ccccc3)c[nH]c2c1=O 225544673 LZLAVNQCGZRKAQ-UHFFFAOYSA-N 405.523 4.949 0 40 HJAB CCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCC[C@@H](C)C1 225715926 ICUBCHOLMGFYGK-YKSBVNFPSA-N 402.579 4.865 0 40 HJAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)NC3CCCC3)CCOCC2)cc1 257287567 PQMNFCQNELVJBE-UHFFFAOYSA-N 411.517 4.899 0 40 HJAB O=C(c1c(F)cccc1Cl)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 390826685 OOKYZACVWZXOCQ-UHFFFAOYSA-N 412.896 4.823 0 40 HJAB CCOC(=O)C1=C(C)N=C(SCC(C)C)N[C@H]1c1cccc(Br)c1 408986477 COBYOGOADFIRJM-INIZCTEOSA-N 411.365 4.676 0 40 HJAB COc1cc(Cl)c(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1OC 409058972 PZUNLIQZEHUYGT-MFOYZWKCSA-N 405.859 4.607 0 40 HJAB CN1CCC2(CC1)C[C@@H](NC(=O)c1cnc(-c3ccccc3)s1)c1ccccc1O2 518997591 CKCJURZBMOZUBH-LJQANCHMSA-N 419.550 4.528 0 40 HJAB COc1ccc(-c2nc(C)c([C@@H](C)N=c3nc(C(F)(F)F)[nH]s3)s2)cc1 553107061 HOPDXRZPNFJWMU-SECBINFHSA-N 400.451 4.592 0 40 HJAB Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@H](c1ccccc1F)[C@@H](C)O 1640726324 UOXJPFQVEIYGLE-ZMZPIMSZSA-N 422.378 4.660 0 40 HJAB CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nnc12 907383 ZCWLMTRSOULJKR-ORAYPTAESA-N 422.476 4.796 0 40 HJAB Cc1cccc2cc(CN(Cc3cccs3)C(=O)NCc3ccccc3)c(=O)[nH]c12 1378201 FQEJJNGRUXXSRU-UHFFFAOYSA-N 417.534 4.810 0 40 HJAB CCCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccccc2)sc2c1CCCC2 2083529 WXUMSEPWUPFUKR-QGZVFWFLSA-N 401.528 4.990 0 40 HJAB CCCCOc1ccc(-c2nnc3c4cnn(-c5cccc(Cl)c5)c4ncn23)cc1 2368347 KOYMPBZKTGLBAD-UHFFFAOYSA-N 418.888 4.963 0 40 HJAB COc1ccccc1NC(=O)C(=Cc1cccc(F)c1)C(=O)Nc1ccccc1OC 3245117 MYEUUHWTGGVENS-UHFFFAOYSA-N 420.440 4.504 0 40 HJAB CCn1c(SCC(=O)c2cc(C)n([C@H](C)COC)c2C)nnc1-c1ccccc1 3391659 USCLICQLKKQTDS-MRXNPFEDSA-N 412.559 4.566 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1 3402893 SXHFXDSQUOIJLM-UHFFFAOYSA-N 416.506 4.517 0 40 HJAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc12 4032923 DGGRRCZFUGJTAK-UHFFFAOYSA-N 422.956 4.969 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)c1 4318516 VKRHRBORXDJEDI-UHFFFAOYSA-N 422.481 4.663 0 40 HJAB Cc1ccc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1 4674637 CSPXEYAJCCWOEN-RUZDIDTESA-N 419.908 4.964 0 40 HJAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)CCCOc1ccc(Cl)cc1C)CC2 5422658 AJKKGAAGORUWIT-MRXNPFEDSA-N 417.933 4.971 0 40 HJAB CC(C)(C)c1ccccc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 5443238 VHOGMRSLOSWBKB-UHFFFAOYSA-N 411.505 4.995 0 40 HJAB CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccc(Cl)cc1 5688201 HXCSFSRMAANKKZ-UHFFFAOYSA-N 404.898 4.797 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccccc1OCc1ccccc1Cl 6047874 KGVKPCFQSOCSQR-IRXDYDNUSA-N 415.917 4.865 0 40 HJAB CSCC[C@H](NC(=O)COc1ccc(Cl)c(C)c1)c1nc2ccccc2[nH]1 6506531 VQJPLKVGDKVWEW-SFHVURJKSA-N 403.935 4.514 0 40 HJAB Fc1ccc(OCCSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 6509571 DMADNRSUVUHVTB-UHFFFAOYSA-N 406.486 4.699 0 40 HJAB COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)ccc1O 7064893 YQITXDDUZAGSSZ-YSZBQJHXSA-N 401.934 4.923 0 40 HJAB biogenic,in-vitro Cc1nc(SCC(=O)c2ccc3c(c2)OCCCO3)c2c(C)c(C)sc2n1 7832831 XOYNZMUADLVESZ-UHFFFAOYSA-N 400.525 4.753 0 40 HJAB COc1ccc([C@@H]2CCCN2Cn2nc(C)n(Cc3ccccc3)c2=S)c(OC)c1 8151261 BNVVEVWIQWOYLW-NRFANRHFSA-N 424.570 4.583 0 40 HJAB CCOc1cc(CNn2c(C)n[nH]c2=S)cc(Cl)c1OCc1ccccc1 8254090 YFWYOTMNPYSOGJ-UHFFFAOYSA-N 404.923 4.624 0 40 HJAB Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(Cl)c1 8310335 QBLGLAHFWSZKOP-IBGZPJMESA-N 400.906 4.585 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccccc1)N(Cc1cccnc1)C3=O 8664911 NOGQSNJMKDIVJP-OAQYLSRUSA-N 416.864 4.895 0 40 HJAB Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@H](C)c2ccccn2)c1 8720516 DIXIPLFDAOSSIW-QGZVFWFLSA-N 400.457 4.873 0 40 HJAB CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 8739530 AXWYNPQBPTVNDY-MRXNPFEDSA-N 412.223 4.538 0 40 HJAB Cc1cc(Cl)ccc1OCCCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9156050 PMXZHBSTVDCZKD-LJQANCHMSA-N 415.917 4.942 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 9168898 UTTZDGLCMGGDLF-NJDAHSKKSA-N 422.843 4.530 0 40 HJAB Cc1ccc(O)c(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2cccs2)N3)c1 12847937 MQWSNXOSTDMLEJ-MLGOLLRUSA-N 422.432 4.871 0 40 HJAB O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1Cc1ccccc1F 15008786 VUOXZJZZIRVZAS-OVCLIPMQSA-N 408.248 4.530 0 40 HJAB O=C(OCc1nc2ccccc2c(=O)[nH]1)c1ccccc1-c1nc2ccccc2s1 16207286 QPGJHBVQFLADHV-UHFFFAOYSA-N 413.458 4.557 0 40 HJAB O[C@@H](CNCc1cc(Br)ccc1OCc1ccccc1)c1ccccc1 16480511 CNTNIJKAPDNBKV-NRFANRHFSA-N 412.327 4.851 0 40 HJAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCCN1Cc1ccc(F)c(F)c1 19239786 IGOBVXQWDYTMOJ-QFIPXVFZSA-N 423.511 4.918 0 40 HJAB CC(C)CC(=O)N1CC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19446255 UYXPOGRYRQKUIP-GOSISDBHSA-N 419.504 4.783 0 40 HJAB COc1cccc(CN(CC2=Cc3ccccc3OC2)Cc2ccccn2)c1OC 19567530 VRMCIRUYZIPMLV-UHFFFAOYSA-N 402.494 4.577 0 40 HJAB Cc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 19680990 JIWBULSHYXGMLC-UHFFFAOYSA-N 415.331 4.557 0 40 HJAB COc1cccc(-c2ccc([C@@H]3CN(Cc4c(C)nn(C(C)C)c4C)CCO3)nc2)c1 19693518 JLVXQFVLVNWZPE-VWLOTQADSA-N 420.557 4.725 0 40 HJAB CSc1ccccc1NC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O 20063289 ZANHRFXPLWDMEU-UHFFFAOYSA-N 424.547 4.531 0 40 HJAB CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)c1 20594825 XSLMHFWLBLNSKW-UHFFFAOYSA-N 424.522 4.745 0 40 HJAB CC(=O)c1sc(NC(=O)c2ccccc2OC[C@H]2CCCO2)nc1-c1ccccc1 21843553 ORCAEIWDNYSJSV-QGZVFWFLSA-N 422.506 4.823 0 40 HJAB CCCCOc1c(OCC)cc(/C=C/C(=O)O)c(Br)c1Br 22077322 AHIYCLDFKPFTDE-VOTSOKGWSA-N 422.113 4.887 0 40 HJAB O[C@]1(c2ccc(OC(F)F)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 22408766 FHUHDILKEGEALP-NRFANRHFSA-N 407.868 4.592 0 40 HJAB Cc1ccc(C2=NN(C(=O)c3ccc(C(C)(C)C)cc3)[C@](O)(C(F)(F)F)C2)cc1 32101119 ZMONJDRLEVGSRC-OAQYLSRUSA-N 404.432 4.794 0 40 HJAB O=C(Nc1cccc(F)c1)Nc1nn(Cc2ccccc2F)cc1Br 32609986 UASQXYUAAVENBR-UHFFFAOYSA-N 407.218 4.616 0 40 HJAB O=C(COc1ccc(F)cc1)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623015 OKYAQLAPFBGHDV-UHFFFAOYSA-N 407.376 4.699 0 40 HJAB C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)NCc2cccc(Cl)c2)CC1 32843749 XHEPHJFSRNNNMY-OAHLLOKOSA-N 414.962 4.538 0 40 HJAB Cc1nc(-c2ccccc2)ccc1C(=O)O[C@@H](C)C(=O)Nc1cccc2ncccc12 40049403 XZUQXKHGGSSALB-KRWDZBQOSA-N 411.461 4.789 0 40 HJAB CC(C)(C)[C@H](NC(=O)COc1ccc(Br)cc1F)c1cccs1 40089728 VKBDCTKPKGPZDB-MRXNPFEDSA-N 400.313 4.932 0 40 HJAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 40104763 DQAQZXBSOGSVFS-IFXJQAMLSA-N 401.894 4.682 0 40 HJAB CC[C@@H](NC(=O)CCc1nc(Cc2ccccc2)no1)C12CC3CC(CC(C3)C1)C2 40133622 UDYQYTNAYRQNGD-DLBGWLJESA-N 407.558 4.704 0 40 HJAB C[C@@H](Nc1nc(-c2ccccc2)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 40149325 FELKKDWXQOBBMS-MRXNPFEDSA-N 418.522 4.841 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875313 BPQAWRXIPQYKQY-JOCHJYFZSA-N 400.950 4.800 0 40 HJAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccc(-n2ccnc2)cc1 44901492 GAQGGLKPGDXWPK-UHFFFAOYSA-N 406.338 4.729 0 40 HJAB O=C(c1cccs1)N1CCc2ccc(NC(=O)C3(c4ccc(F)cc4)CC3)cc2C1 49511029 AMGPXWLOYYQPPJ-UHFFFAOYSA-N 420.509 4.756 0 40 HJAB CC(C)N(C)CC(=O)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 58377652 XPKACFLLYSNJLR-UHFFFAOYSA-N 420.282 4.675 0 40 HJAB O=C(COc1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72358675 GOWRCGCGZDFBLV-SFHVURJKSA-N 407.901 4.582 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2cc(Nc3nccs3)cc(C)n2)cc1 72372541 CGLZGLGHRIRPGX-OAQYLSRUSA-N 422.554 4.895 0 40 HJAB CC1(C)CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)C1 78934877 GVAODLPDLRYAKA-UHFFFAOYSA-N 400.482 4.612 0 40 HJAB CC(C)Oc1ccc(-c2nc(C(=O)Nc3ccc4oc(=O)ccc4c3)cs2)cc1 84621986 FGEQWAYBSKFTOS-UHFFFAOYSA-N 406.463 4.956 0 40 HJAB C[C@H]1c2[nH]c3ccccc3c2CCN1S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 84718154 HQRDCYHBKLRWLQ-NSHDSACASA-N 412.408 4.634 0 40 HJAB CCSc1ccc(Cl)cc1NC(=O)N1CCC[C@H](c2nncn2C2CC2)C1 95460942 AOULGZJVRBEMBA-ZDUSSCGKSA-N 405.955 4.790 0 40 HJAB CC(C)(C)C(=O)N[C@@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)[C@H]2CC=CCC2)CC1 100223460 ZTIVXWUJYHWWEH-ZSYWTGECSA-N 417.619 4.625 0 40 HJAB Cc1ccc(COc2ccc(/C=C3/NC(=S)N(c4ccccc4)C3=O)cc2)cc1 102964884 BMTFTYYMZIUBBL-PXLXIMEGSA-N 400.503 4.836 0 40 HJAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](OC(C)=O)(C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118915175 SBWDYFUYGAMEGM-PRQSBNOCSA-N 418.574 4.852 0 40 HJAB COc1ccc(Cl)cc1NC(=O)NCc1ccc(C(=O)c2ccccc2)s1 211086420 FYRRCJUCRSPALG-UHFFFAOYSA-N 400.887 4.963 0 40 HJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(OC)c3)N21 222707645 BPYKJIXIZMHSQF-WQTXXOFMSA-N 404.539 4.860 0 40 HJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1Cl 222843553 QJNQHKGTMLBOCR-AWEZNQCLSA-N 401.890 4.802 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 222856158 CZIIHVDBNOQPET-KUHUBIRLSA-N 403.906 4.843 0 40 HJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(C)cc1C 223077701 MGNLRMMEWFWQCA-LEYFIJQKSA-N 402.494 4.935 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1 224671056 YUSSECICZQWGRI-OAQYLSRUSA-N 406.570 4.712 0 40 HJAB CCN(c1cccc(Br)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224929386 YYJHMDMADMFXMN-UHFFFAOYSA-N 409.132 4.971 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 225454437 VIBXHOVRDLMQCM-KRWDZBQOSA-N 418.990 4.515 0 40 HJAB Cc1cccc(CCC2(NC(=S)Nc3ccc(C(=O)N(C)C)cc3)CCCC2)c1 225871763 GYCIGZVHCQAQTI-UHFFFAOYSA-N 409.599 4.929 0 40 HJAB CN(Cc1ccccc1)[C@@H]1CC[C@@H](N(CCc2ccccc2)Cc2ccccc2)[C@@H]1O 257266498 MDGRKROCEVWCHA-JCYYIGJDSA-N 414.593 4.755 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 408643871 CNLPBLOAAVBAAK-UHFFFAOYSA-N 424.280 4.746 0 40 HJAB O=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 408708898 VCKLOZVTCGMBQP-HXUWFJFHSA-N 418.924 4.641 0 40 HJAB CCOC(=O)N[C@H](CC(=O)Nc1cc(C)c(C)cc1Br)c1ccccc1 408981216 VIJYCHZQRGJAOE-QGZVFWFLSA-N 419.319 4.882 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)cc1 409169101 PSIABNCZOJFBHP-DEDYPNTBSA-N 402.475 4.823 0 40 HJAB C[C@H](NC(=O)C[C@@H](C)c1ccccc1F)c1ccc(NC(=O)c2ccncc2)cc1 504243855 LMQYZUTWUIMPQR-SJORKVTESA-N 405.473 4.844 0 40 HJAB Cc1nc2ccccn2c1C(=O)N1CCC2(CC1)CN(c1ccccc1)c1ccccc12 2055734751 RONUVVSCPUHLFU-UHFFFAOYSA-N 422.532 4.968 0 40 HJAB Cc1cc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)no1 646589 QEHFVUPTTHJXLQ-LLVKDONJSA-N 408.405 4.578 0 40 HJAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c(C)c1 661465 CWGRZEJOOHSOAM-UHFFFAOYSA-N 415.331 4.557 0 40 HJAB COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 855127 FSZOBUYQZDPYNN-QFIPXVFZSA-N 411.548 4.799 0 40 HJAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccccc3)c3cc(Cl)ccc32)c(C)c1 1320472 VXQYKWYEZKGJTB-RUZDIDTESA-N 419.908 4.964 0 40 HJAB Cc1ccc(C)c(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c1 1379925 BYXFJKMTFRSSJB-JOCHJYFZSA-N 406.482 4.936 0 40 HJAB CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1ccc(C(C)(C)C)cc1 2463417 MRKDQAIPKLSDRN-AEFFLSMTSA-N 400.544 4.586 0 40 HJAB Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1ccccc1F 2736091 WCHWFHYPONEPCZ-UHFFFAOYSA-N 413.321 4.635 0 40 HJAB CCOC(=O)c1ccc(NP(=O)(OCC(F)(F)F)OCC(F)(F)F)cc1 3087175 RQEPNANMZZZEKO-UHFFFAOYSA-N 409.219 4.541 0 40 HJAB O=C(OCc1csc(-c2ccccc2)n1)C(O)(c1ccccc1)c1ccccc1 4328920 XJVVWODSWTWMEU-UHFFFAOYSA-N 401.487 4.789 0 40 HJAB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 4555132 JZFURZPKPJDRHN-QFIPXVFZSA-N 411.910 4.717 0 40 HJAB Cc1ccc(C)c(NC(=O)O[C@@H](C)CNC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1 4833025 ICXMOYCZBCELQD-GRDNDAEWSA-N 413.345 4.948 0 40 HJAB O=C(Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O)c1ccc(Cl)cc1 5156880 QUNOZMUEXGNEDT-AWEZNQCLSA-N 412.276 4.948 0 40 HJAB CCCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC 5176374 YJUQPUHTFZALFR-AAJFVQQISA-N 406.526 4.511 0 40 HJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(c1cccc(C(F)(F)F)c1)CO2 5516529 WAHBJJNJQVBRQK-UHFFFAOYSA-N 401.384 4.965 0 40 HJAB COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2ccc(C)cc2)cc1O 5561854 ATHPUUDLBAACTK-UHFFFAOYSA-N 413.477 4.994 0 40 HJAB biogenic O=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1NCCc1ccccc1 5900147 XALQAVWYAPHRFT-UHFFFAOYSA-N 404.491 4.829 0 40 HJAB COc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1NC(=O)C(C)C 6357750 QZXUCNWDVLCJSM-UHFFFAOYSA-N 411.285 4.614 0 40 HJAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)Nc4nc5ccccc5[nH]4)c(C)c3cc12 6624429 BIKNXBWNBQJNBG-UHFFFAOYSA-N 415.449 4.912 0 40 HJAB biogenic COc1ccc(OCCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1 6658512 RJMGDGFYEIJIQA-GOSISDBHSA-N 421.541 4.628 0 40 HJAB CC1(C)CC(=O)c2ccc(OCCOc3ccc4c(c3)OC(C)(C)CC4=O)cc2O1 6763487 HHJQNTTXPOMRJB-UHFFFAOYSA-N 410.466 4.632 0 40 HJAB COc1ccc(-c2nnc(SC[C@@H]3CCCO3)n2C2CCCCC2)cc1OC 7080978 VQPINUVOTSRDBY-KRWDZBQOSA-N 403.548 4.739 0 40 HJAB C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)NC1CCCCCC1 7201912 GGGHAHWWLUEUIV-INIZCTEOSA-N 410.543 4.847 0 40 HJAB C[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc2c(c1)OCO2 7657089 DRXIQJQKOKZGAB-VIFPVBQESA-N 402.661 4.632 0 40 HJAB Cc1ccc(-n2c(Sc3ncnc4sccc34)nnc2N2CCCCC2)cc1 8162200 IINWBHRYWKAZQM-UHFFFAOYSA-N 408.556 4.722 0 40 HJAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1C 8686490 KSXPPEJYYGJRFE-OAQYLSRUSA-N 421.566 4.523 0 40 HJAB Cc1ccc(NC(=O)[C@H](Sc2nnc(-c3cccs3)n2N)c2ccccc2)cc1 8982726 KHRMZTNYWFMUQB-GOSISDBHSA-N 421.551 4.501 0 40 HJAB CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)nn12 9190260 UXQJLJYKTPFCPJ-UHFFFAOYSA-N 418.309 4.974 0 40 HJAB COc1ccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1Br 9259171 INOMQJRKSUWWFN-UHFFFAOYSA-N 405.292 4.695 0 40 HJAB Cc1cccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc3c2cnn3C)c1 9273210 QFXKHRBEKKGEJR-UHFFFAOYSA-N 412.541 4.874 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 9283545 ORRLFQKBMOWEJZ-UHFFFAOYSA-N 418.280 4.591 0 40 HJAB COc1ccccc1N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)C1CCCCC1 9462206 IZWYLLAIPSQCSR-UHFFFAOYSA-N 404.510 4.959 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1 9513873 DKLLBLXOQMKDQN-UHFFFAOYSA-N 407.495 4.752 0 40 HJAB O=C(c1ccc(Br)o1)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 10254613 GBIMLNKTKNSXLC-UHFFFAOYSA-N 411.683 4.948 0 40 HJAB Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3F)c2c1 10272808 HEGQIXYOIGIDAD-UHFFFAOYSA-N 415.468 4.700 0 40 HJAB CCOC(=O)c1oc2cc(OCc3csc(C)n3)ccc2c(=O)c1-c1ccccc1 12296211 ZWESKAKOHBBMQQ-UHFFFAOYSA-N 421.474 4.981 0 40 HJAB biogenic CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)cc1 12688138 VNCKIBLGXNZSGB-UHFFFAOYSA-N 423.387 4.610 0 40 HJAB CCC(CC)C(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc(OC)ccc1OC 12779301 RMBCDBIFYHTGPC-QFIPXVFZSA-N 410.514 4.826 0 40 HJAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)N(Cc1ccco1)Cc1cccs1 12976857 LRNMDBFRMJXJCB-UHFFFAOYSA-N 416.886 4.522 0 40 HJAB O=C(COc1cccc2ccccc12)Nc1ccc(-c2nnc3n2CCCCC3)cc1 13075317 WHWJZBAGXIZYAP-UHFFFAOYSA-N 412.493 4.842 0 40 HJAB Cc1ccc2nsnc2c1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 13946215 BIQVXQMBBXYGFL-UHFFFAOYSA-N 412.927 4.933 0 40 HJAB CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)[C@@H](c2ccccc2F)n2ncnc2N1 13997586 RCEVUOOPEUASMC-QGZVFWFLSA-N 418.259 4.652 0 40 HJAB COc1ccccc1-c1nnc(SCc2cc(C)no2)n1CCc1ccccc1 14142118 MHTZHFNGCRSRIA-UHFFFAOYSA-N 406.511 4.785 0 40 HJAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 14399673 OIHKEABTHOCBBK-GFCCVEGCSA-N 402.318 4.949 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c(Cl)c1 14669221 RIYCYIWWSNUVEZ-AWEZNQCLSA-N 420.962 4.630 0 40 HJAB C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)c1ccc(F)c(F)c1 14703705 UYNNGSXEBVEDGB-JTQLQIEISA-N 411.524 4.896 0 40 HJAB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCC[C@H]1c1ccc(Cl)cc1 15835861 SSCYFBYJQXJCFH-INIZCTEOSA-N 411.855 4.798 0 40 HJAB CSc1ccccc1NC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 15882838 QFTWFPOHARCAPG-UHFFFAOYSA-N 418.440 4.890 0 40 HJAB COc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)c2ccc(C)c(C)c2)cc1 16311930 OTVCLWMOWGBMKW-UHFFFAOYSA-N 417.461 4.604 0 40 HJAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OC)c(Cl)c3)cc2s1 17082767 NTYCUBLBAPBYQZ-UHFFFAOYSA-N 403.891 4.949 0 40 HJAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1ccc(Cl)cc1C 17094131 MFPDPDBDPJUZKO-UHFFFAOYSA-N 424.863 4.847 0 40 HJAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2ccccc2Cl)cc1 17094146 SQXPTUVCSDDKCC-UHFFFAOYSA-N 424.884 4.524 0 40 HJAB COc1ccc(OCCSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 17882446 CFWXXSALNZQDST-UHFFFAOYSA-N 406.511 4.941 0 40 HJAB COCCn1c(C)cc2cc(NC(=O)c3sc(-c4ccccn4)nc3C)ccc21 19126300 VZOATNDQJCWMJM-UHFFFAOYSA-N 406.511 4.675 0 40 HJAB O=C(/C=C/c1ccccc1)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl 19881526 FYIDQKNMLKPFNR-SDNWHVSQSA-N 404.897 4.964 0 40 HJAB COc1ccccc1N1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 19923740 XDSMDWHCWKVSQZ-UHFFFAOYSA-N 417.509 4.628 0 40 HJAB Cc1nc2sc([C@H](c3cccc(Cl)c3)N3CCc4ccccc4C3)c(O)n2n1 23157809 APBNOQZFBIWGQP-SFHVURJKSA-N 410.930 4.606 0 40 HJAB COc1ccc(CCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 36464859 PPFKRTZMELQWGK-UHFFFAOYSA-N 421.368 4.573 0 40 HJAB C[C@H](N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(F)cc1Cl 40071797 YHHFJWJXAQXAGB-OLZOCXBDSA-N 403.885 4.505 0 40 HJAB COc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2ccccc2)cc1 44086020 LWKBKNDRLISTQA-UHFFFAOYSA-N 422.535 4.735 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2C)cc1 44885401 VODAKZCLZRGORR-UHFFFAOYSA-N 400.544 4.509 0 40 HJAB CC(C)OC(=O)C[C@H](NC(=O)CCC(=O)c1cccs1)c1ccccc1Cl 49622775 JIIPNMJJWSJEDV-INIZCTEOSA-N 407.919 4.564 0 40 HJAB COc1cccc(CNc2ncc(-c3nccn3C)c(-c3ccc(Cl)cc3)n2)c1 57761990 ANROAKHIBQATJU-UHFFFAOYSA-N 405.889 4.818 0 40 HJAB COc1ccc2cc([C@H](C)C(=O)Nc3cccc(N4C(=O)NC[C@H]4C)c3)ccc2c1 58305313 VSBRGKMEXKDPDO-CVEARBPZSA-N 403.482 4.509 0 40 HJAB COc1ccc(CSc2nc3ccccc3c(=O)n2CCc2ccccc2)cc1 67259301 DEHRHNFPFZTBHR-UHFFFAOYSA-N 402.519 4.940 0 40 HJAB O=C(Nc1nnc(SCc2cc(F)ccc2F)s1)c1nc2ccccc2s1 70635074 LMEPYADYLWWXPA-UHFFFAOYSA-N 420.491 4.971 0 40 HJAB CCOc1ccc(-c2nc(C(=O)N[C@@H](C)c3nc(C4CCCC4)no3)cs2)cc1 72303699 SBZDOBNOANJQCV-ZDUSSCGKSA-N 412.515 4.740 0 40 HJAB C[C@@H]1Cc2cc(CN3CCC[C@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 72398622 SWRULZWHTDBBPH-WWEVIYMKSA-N 421.585 4.521 0 40 HJAB O=C(CSc1ccc(F)cc1)N[C@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1 77200359 CVRBUECIFBYOKD-ZWKOTPCHSA-N 420.481 4.733 0 40 HJAB Cc1nc(-c2cccs2)sc1CNC(=O)COc1cccc(C(F)(F)F)c1 90592662 LLFYQJRBQUYYKU-UHFFFAOYSA-N 412.458 4.894 0 40 HJAB COc1ccc(Br)c(C(=O)N(CCc2cccs2)Cc2ccoc2)c1 90612369 DGMHZRGWIBEQRD-UHFFFAOYSA-N 420.328 4.997 0 40 HJAB Cc1c(Cl)cccc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97994296 BFPKZIDNZJWVLN-CPNJWEJPSA-N 405.845 4.532 0 40 HJAB COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nc(C(F)(F)F)nn32)cc1O 102245313 FHZFGGTYCHZUKJ-AWEZNQCLSA-N 422.794 4.721 0 40 HJAB O=C1S/C(=C/c2ccccc2)C(=O)N1Cc1ccc(I)cc1 215197083 RLMJZNBLDOPIRE-XNTDXEJSSA-N 421.259 4.528 0 40 HJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccc(C)c2)no1 219389896 CKCOIHQKDRYIGG-KRWDZBQOSA-N 401.919 4.886 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 223270293 DWNGJHWTRDLVOY-HXUWFJFHSA-N 421.368 4.706 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1 223660474 DYYRPWLJWCQDAN-HSZRJFAPSA-N 424.585 4.577 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 223685280 SDYZBLZXSMGFID-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB O=C(CSCc1ccc(Br)cc1)Nc1nnc(-c2ccccc2)s1 224455259 OWGVFOKRXHMSHY-UHFFFAOYSA-N 420.357 4.840 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 225089099 WVYMPSHHBNMZEQ-OYADDEIPSA-N 418.493 4.553 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 225094831 SQGFOKQBDKHKTC-WOJBJXKFSA-N 412.599 4.560 0 40 HJAB CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225100282 SPVKVTQRDQMSBR-UHFFFAOYSA-N 401.459 4.842 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSc1ccc(C)cc1 225168813 WAVLUFJJBXGYJC-GOSISDBHSA-N 416.562 4.560 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC(C)C 225495893 KEFZZWZVBPMIPD-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 225544918 WRVBLVDAJPZHPK-XUZZJYLKSA-N 408.586 4.876 0 40 HJAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3ccccc3OC)o2)c1 257206188 BCGFKJMCMQJLJG-NRFANRHFSA-N 406.482 4.650 0 40 HJAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)c1 257277378 NXSTYOFPGRIOFQ-JOCHJYFZSA-N 408.473 4.709 0 40 HJAB CC(C)Cc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)n(C)n1 257303223 SGGQTUJHXHSYIL-NRFANRHFSA-N 406.530 4.565 0 40 HJAB O=C(Nc1cccc(N2C(=O)c3ccc(Br)cc3C2=O)c1)c1ccccc1 408668905 FWOUTSIMBDATRZ-UHFFFAOYSA-N 421.250 4.502 0 40 HJAB COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(F)cc3)n2)c1 408698805 PREIWVLIYQNCEF-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)C(F)(F)F 800078 HNXLOZMUQOTMSI-GOSISDBHSA-N 424.488 4.829 0 40 HJAB CNC(=O)c1cnn(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1C(F)(F)F 1403160 FGRNDGXQEVGJAP-UHFFFAOYSA-N 421.231 4.681 0 40 HJAB O=C(O)c1ccccc1Nc1nc2ccccc2nc1Nc1ccccc1C(=O)O 1508643 VLXZRUJZFFVREL-UHFFFAOYSA-N 400.394 4.513 0 40 HJAB Cc1ccc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3n2Cc2ccccc2)cc1 2208171 UQCXNIWHQJSCAA-UHFFFAOYSA-N 422.488 4.567 0 40 HJAB CN(C)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(Cl)cc2Cl)O1 2304545 UVNKNDUQIAJXRM-UHFFFAOYSA-N 408.129 4.509 0 40 HJAB C[C@H]1CN(C(=O)/C=C/c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1 4105227 HBJZHAOINFQRQE-BAMWUGHESA-N 419.443 4.933 0 40 HJAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)[C@H]1COc2ccccc2O1 4224257 ZODWVVBKOFVBRB-MRXNPFEDSA-N 407.278 4.895 0 40 HJAB COc1cccc2cc(-c3cc(=O)oc4ccc(OCC(=O)OC(C)C)cc34)oc12 4586257 KYMVOUJOYOVBCH-UHFFFAOYSA-N 408.406 4.545 0 40 HJAB biogenic COc1ccc2nc(N3C(=O)/C(=C/c4ccc(Cl)cc4)N=C3S)sc2c1 5025390 CKEWJSWELSHRNM-ZSOIEALJSA-N 401.900 4.632 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 5079511 PMXYVQRBOYHCMM-HOTGVXAUSA-N 413.901 4.517 0 40 HJAB O=C(c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCCc2ccccc21 5948390 FXIWPMWMNLGBND-MAUKXSAKSA-N 416.403 4.729 0 40 HJAB CC1(C)C[C@@H](NC(=O)NC2CCCCC2)C[C@](C)(CNC(=O)NC2CCCCC2)C1 6050269 WAHPXTXIILESAG-YKSBVNFPSA-N 420.642 4.835 0 40 HJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCC(C)C)c(OCC)c1 6207380 PWYNZPKUQQUNEM-HXUWFJFHSA-N 416.543 4.888 0 40 HJAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccc2c(c1)OCCO2 6509631 GWHRXXVAEJAWRU-SFHVURJKSA-N 402.494 4.584 0 40 HJAB CC1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 6668010 SNWPCRFCLINAGW-UHFFFAOYSA-N 406.891 4.657 0 40 HJAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2ccc(Cl)s2)n1 6679191 NAWIIABWLCOFEF-UHFFFAOYSA-N 400.312 4.824 0 40 HJAB CN(C)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2 7563041 MRIYPRXEPUPGKY-DTQAZKPQSA-N 420.896 4.620 0 40 HJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1nn(-c2ccccc2)c(=O)c2ccccc12 7654298 PESHDNHFUVLEIH-UHFFFAOYSA-N 410.260 4.945 0 40 HJAB CCNC(=O)c1cccc(NC(=O)c2cccnc2Sc2ccc(C)c(C)c2)c1 7717637 PBTWCIXQKARWRD-UHFFFAOYSA-N 405.523 4.852 0 40 HJAB CN(C)C1(CNC(=O)c2cccnc2Sc2ccccc2Cl)CCCCC1 7781751 YZDOYFAPUIRACU-UHFFFAOYSA-N 403.979 4.881 0 40 HJAB CC(C)N(C(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(C)C 7872858 SGCCGQNOBJCXPV-HNNXBMFYSA-N 411.575 4.887 0 40 HJAB CC1(C)Cc2cccc(OCC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c2O1 8072449 ADQQRIMSCDRPLA-QGZVFWFLSA-N 408.523 4.752 0 40 HJAB CSc1nnc(CCCNC(=O)c2cc3ccccc3s2)n1C1CCCC1 8746028 QOUHZIZZISEFTG-UHFFFAOYSA-N 400.573 4.692 0 40 HJAB O[C@@]1(C(F)(F)F)CC(c2ccco2)=NN1c1nc(-c2ccc(Cl)cc2)cs1 8750639 PTYCFUFFLJHESN-MRXNPFEDSA-N 413.808 4.922 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1 8845940 VEXJHMPEDLTTIM-UHFFFAOYSA-N 417.490 4.975 0 40 HJAB COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@@H]3C(F)(F)F)cc1 9410414 BACLCLWSXIOKNZ-GDBMZVCRSA-N 422.432 4.866 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 9418623 COSYEDSFRVNBRT-SZXPJGKVSA-N 406.452 4.947 0 40 HJAB O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1c1ccc(N2CCOCC2)cc1 9423870 BPTAXQZJHGPBES-HSZRJFAPSA-N 419.912 4.948 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1F 9631929 PABARAASLRHBDD-UHFFFAOYSA-N 418.803 4.580 0 40 HJAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1cccc2cccnc12 10237040 AHBXPTCJBLAZHI-UHFFFAOYSA-N 402.454 4.931 0 40 HJAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnnn1Cc1ccco1)c1ccccc1 11307262 NCTZWRPGAWTNBG-OAQYLSRUSA-N 415.478 4.512 0 40 HJAB COc1ccc2cnc([C@H]3CCCN(C(=O)CCc4cc(Cl)no4)C3)cc2c1C 12187915 ZLOKDACBLWPYHA-INIZCTEOSA-N 413.905 4.532 0 40 HJAB CCn1cc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)c2ccc(F)cc21 12328876 LYSSWRBDYZTCKQ-UHFFFAOYSA-N 411.496 4.567 0 40 HJAB CC(=O)c1ccc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 12772506 MAJVAHSVTRZBTH-INIZCTEOSA-N 408.523 4.672 0 40 HJAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(Br)cc3)n2)cc1 14245127 UKBWXIIDHSJLMX-LBPRGKRZSA-N 417.332 4.662 0 40 HJAB Cc1ccc(-c2ccc(/C=C(/Sc3nc(C)n[nH]3)C(=O)O)o2)c(Br)c1 17248637 GXTOLERPGWXBFN-OVCLIPMQSA-N 420.288 4.662 0 40 HJAB C[C@@H]1CC[C@H]2C(=O)N(c3cc(Cl)ccc3OC(=O)c3cccs3)C(=O)[C@@H]2C1 17988167 AOANUSUIVYYTNG-MRVWCRGKSA-N 403.887 4.546 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CCC2)C1 19449085 ADMMQDIXJIQGEX-DEOSSOPVSA-N 410.583 4.501 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3ccc(C)cc3)nnc2c1-c1ccc(Cl)cc1 20633752 ZAYZUCRBJVXLRM-UHFFFAOYSA-N 405.889 4.876 0 40 HJAB O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(N2CCCCC2=O)cc1 24033585 FRCJFJWYLBUPRM-UHFFFAOYSA-N 419.506 4.770 0 40 HJAB COc1ccc(OC)c(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1 24991587 BMMTVDKWXXLDJS-QGZVFWFLSA-N 418.493 4.789 0 40 HJAB CCc1ccccc1NC(=O)CN1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 26457771 MFZUPAPNXDOZHY-LJQANCHMSA-N 420.340 4.597 0 40 HJAB Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)N2CCCCC2)cc1 27581726 PFEFQYXRSIUALH-HXUWFJFHSA-N 401.348 4.715 0 40 HJAB O=C(c1cc(=O)c2cc(Cl)cc(Cl)c2o1)N(Cc1ccco1)C[C@H]1CCCO1 27985611 UIWRATLEFSROOW-CQSZACIVSA-N 422.264 4.514 0 40 HJAB O=C(CSc1nnc(-n2cccc2)n1Cc1ccccc1)Nc1ccc(Cl)cc1 28534780 NYNUBEYCMALHBV-UHFFFAOYSA-N 423.929 4.501 0 40 HJAB O=C1c2ccccc2N[C@@H](c2csc(-c3ccc(F)cc3)n2)N1C[C@@H]1CCCO1 32854077 OZTJPMAZGKKBER-OXJNMPFZSA-N 409.486 4.695 0 40 HJAB COc1ccc(NC(=O)COc2ccccc2-c2nc3ccccc3s2)c(OC)c1 32958145 KWMKGSNBQNIVBD-UHFFFAOYSA-N 420.490 4.998 0 40 HJAB CC[C@@H]1CCc2sc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCC3)cc2C1 32960843 SOWKVQZIOZWAFE-UTKZUKDTSA-N 412.599 4.839 0 40 HJAB Cc1nn(-c2ccccc2)nc1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 32996026 TYOULMFBPWFYAL-QFIPXVFZSA-N 421.504 4.619 0 40 HJAB Cc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)c(C)c1 33089187 FBAKUVOMFCJQLS-ZDUSSCGKSA-N 411.299 4.750 0 40 HJAB CCCCn1c(=O)c2sccc2n2c(SCc3ccc(F)cc3Cl)nnc12 35529110 KADQOQHLBAXWBX-UHFFFAOYSA-N 422.938 4.991 0 40 HJAB COc1ccccc1NC(=O)N1CCC(c2nnc(-c3ccccc3OC)s2)CC1 35597025 OVWBXDCMIAGEPI-UHFFFAOYSA-N 424.526 4.634 0 40 HJAB CC(=O)c1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)c1 36615803 XATUSJJQQFOKGO-UHFFFAOYSA-N 402.429 4.631 0 40 HJAB COc1ccc2[nH]c(CN(CCCn3ccnc3)Cc3ccc(F)cc3)c(C)c2c1 36740143 UZUAQFXOOCPORE-UHFFFAOYSA-N 406.505 4.913 0 40 HJAB Cc1nc(C)c(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)o2)s1 37163347 ZEJJRMGMYFGOCA-UHFFFAOYSA-N 405.892 4.806 0 40 HJAB CCOc1ccc2nc(C(=O)OC)cc(Nc3cc(Cl)c(OC)cc3OC)c2c1 38487347 ADRCBUBQOYNVST-UHFFFAOYSA-N 416.861 4.834 0 40 HJAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(CNC(=O)c2cccs2)cc1 40132499 HRORAQYVBKZZHQ-CQSZACIVSA-N 414.477 4.790 0 40 HJAB O=C(NCCc1ccccc1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 40287486 ZWFOMWSPSUVFOZ-XMMPIXPASA-N 416.565 4.840 0 40 HJAB O=C(NCc1c(F)cccc1F)c1ccc(OCc2nc(C3CC3)cs2)cc1 56907805 MVLYEANDDSQJHM-UHFFFAOYSA-N 400.450 4.808 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(C)c3)CC2=O)cc1Cl 59227215 RIWFOYNJIYHBFZ-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(OC(=O)c2ccccc2)cc1 59507294 LOGHGYHGFIEDLY-ZHZULCJRSA-N 403.821 4.904 0 40 HJAB O=C(OCc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(Cl)nc1Cl 65327439 ZTTLFJAXCGNHEX-UHFFFAOYSA-N 406.244 4.559 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2N(C(C)C)C(C)C)cc1 72213026 QQSXZHOOVNXUNC-NRFANRHFSA-N 401.576 4.539 0 40 HJAB O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 72330443 GVMOOXRARZPCAJ-OFVILXPXSA-N 409.549 4.871 0 40 HJAB Cn1ccnc1CN1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72350026 UZQRXIYISKRUKG-GOSISDBHSA-N 414.475 4.804 0 40 HJAB CCn1cc(CN2CCC[C@@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)c(C)n1 72372460 XWVQNJFULJLGNT-RUZDIDTESA-N 404.558 4.851 0 40 HJAB C[C@@H]1CCc2onc(C(=O)N[C@@H]3CCCc4c3cnn4Cc3ccc(Cl)cc3)c2C1 72396983 JJRHFXFKYMQIRY-AUUYWEPGSA-N 424.932 4.505 0 40 HJAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C)s2)C12CCCCC2 79477051 DXCGYTFEQXSGCF-SFHVURJKSA-N 412.559 4.528 0 40 HJAB COc1ccc([C@@H](CC(=O)NCc2ccco2)c2c[nH]c3cccc(OC)c23)cc1 85877589 RVUWJKIBIBMFNE-LJQANCHMSA-N 404.466 4.617 0 40 HJAB biogenic O=c1cc(CN(Cc2cccc(-c3cccnc3)c2)C2CC2)nc2ccc(Cl)cn12 89780867 PYSSVLYWAAARIG-UHFFFAOYSA-N 416.912 4.575 0 40 HJAB O=[S@](Cc1cc(Cl)c2c(c1)OCCCO2)Cc1ncc(-c2ccc(F)cc2)o1 95349212 GVVTZBUCSYLSDM-NDEPHWFRSA-N 421.877 4.744 0 40 HJAB O=c1c2ccccc2c(-c2nc(-c3cccc(F)c3)no2)cn1-c1ccc(F)cc1 96324372 DWIXWIAIEYRERT-UHFFFAOYSA-N 401.372 4.986 0 40 HJAB N=c1oc2ccccc2cc1Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 98212124 SXPGDUNSFBYRET-UHFFFAOYSA-N 415.449 4.902 0 40 HJAB COc1ccc([C@H]2C=C(c3ccccc3)Nc3nc(NC(=O)c4ccccc4)nn32)cc1 101023559 BSLHCQSXMDJENY-JOCHJYFZSA-N 423.476 4.595 0 40 HJAB COc1ccc(C)cc1N1C(=O)N[C@H]2C[C@@]1(C)Oc1ccc(Br)cc12 101084975 WXXKEDHJPXFSEI-IFXJQAMLSA-N 403.276 4.536 0 40 HJAB CC1(C)C[C@H](NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C[C@@](C)(CNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C1 102196983 BCUCJWQATQBQSA-WTRGRMHBSA-N 414.634 4.676 0 40 HJAB O=C(Sc1ccc(Cl)cc1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 102513044 YQCVOFRBRQSDGM-BIPCEHGGSA-N 409.894 4.584 0 40 HJAB C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(Cl)cc2)n1C 107906188 BODIODFZQSQNCJ-LBPRGKRZSA-N 421.353 4.905 0 40 HJAB O=C(O)[C@@H]1CCC2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)C1 110915244 VNWGFJKHQJGGTD-QGZVFWFLSA-N 405.494 4.902 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 222446477 GPRBDAHXGZOTOX-QHCPKHFHSA-N 424.585 4.631 0 40 HJAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1Cl 223833191 NYCZIUSVQOGLOK-UHFFFAOYSA-N 417.870 4.720 0 40 HJAB CC(C)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 224086776 HLRGVGDSWORIBW-UHFFFAOYSA-N 414.552 4.602 0 40 HJAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1cccc(OC)c1 224585391 QPWPXGVRRDWBQG-UHFFFAOYSA-N 421.493 4.612 0 40 HJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CCc1ccccc1 225152972 PAXVJKNDOBUKLT-IBGZPJMESA-N 410.533 4.625 0 40 HJAB Cc1c(Cl)cccc1-n1c(COc2ccc(Cl)cc2)nnc1SCC(=O)O 226819392 IOSKJQUEKOMNNN-UHFFFAOYSA-N 424.309 4.638 0 40 HJAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cc5ccccc5[nH]4)C3)o2)cc1 257250618 JNHVVJAQPUOXNH-LJQANCHMSA-N 415.493 4.775 0 40 HJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1 260818227 YEAUGMHZALWYHX-SKPFHBQLSA-N 404.595 4.967 0 40 HJAB CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O 408603083 QANGWRFZQDAPGC-CPNJWEJPSA-N 424.522 4.767 0 40 HJAB COc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)C)ccc3o2)cc1Cl 408620473 JGJPHTVPCKWWTB-UHFFFAOYSA-N 403.891 4.626 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 408628526 UNBACBUOTUDSAV-UHFFFAOYSA-N 402.479 4.579 0 40 HJAB CCOc1ccccc1N1C[C@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O 408665352 OWLGQRYWIYQDRK-OAQYLSRUSA-N 415.489 4.635 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)c1C 409008218 WPZATGFJKCTKJT-UHFFFAOYSA-N 423.538 4.875 0 40 HJAB CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O 409192456 CVZKHQOLBQQUDZ-OVCLIPMQSA-N 411.672 4.748 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1 575609730 FYYIWAZEQRXNPN-MRXNPFEDSA-N 405.903 4.669 0 40 HJAB CC(C)Sc1ccc(CC(=O)N2Cc3ccccc3[C@@H](c3cnn(C)c3)C2)cc1 585409871 XFIPYIYHGNWHTJ-HSZRJFAPSA-N 405.567 4.637 0 40 HJAB CN1C(=O)CCc2cc(NC(=O)N3CCc4ccccc4[C@@H]3c3ccccc3)ccc21 594906533 LAELULCAJIFNID-VWLOTQADSA-N 411.505 4.775 0 40 HJAB O=C(c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCC[C@@H]2C[C@@H]21 672129753 GDJJLTXCXFMZNS-DOMZBBRYSA-N 418.444 4.639 0 40 HJAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccc(F)c(Cl)c2)nn1 1776009866 VINONQBYNUZTQZ-SJPCQFCGSA-N 418.944 4.695 0 40 HJAB CSc1ccccc1NC(=O)N1CCC[C@@]2(CCCN(Cc3cccnc3)C2)C1 2056223393 JHWZSFBZOINGCZ-HSZRJFAPSA-N 410.587 4.714 0 40 HJAB COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc5c(c4)OCCO5)sc3n2)cc1 663270 XXOUUNMLJVBDTI-UHFFFAOYSA-N 418.474 4.556 0 40 HJAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1cccc(Cl)c1 835219 WHKWRGRQWWZYPW-UHFFFAOYSA-N 414.914 4.559 0 40 HJAB COc1ccc(N2C(=O)C(Sc3ccc(C)cc3)=C(N3CCC[C@@H](C)C3)C2=O)cc1 936515 WPRJQYOCYHIGHC-QGZVFWFLSA-N 422.550 4.613 0 40 HJAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cccc(C)c1 976327 DGEJQYIPAVEXTD-INIZCTEOSA-N 408.527 4.595 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(c2ccccc2F)CC1 1003155 JQYDNAFLEGRBJE-UHFFFAOYSA-N 417.843 4.544 0 40 HJAB CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCc2ccoc2)cc1 1025627 KSKXISPWGJWMRH-DEDYPNTBSA-N 408.523 4.726 0 40 HJAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1nc2ccc(F)cc2s1 1268095 VVCQOUBUWOCAPT-UHFFFAOYSA-N 411.483 4.724 0 40 HJAB Cc1cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c2c(C)cc(=O)oc2c1 2092214 LUTWLQPXRMVMTL-NRFANRHFSA-N 423.465 4.581 0 40 HJAB biogenic O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1cccc(Cl)c1Cl 2515251 BEBDLOSGMCFJKL-UHFFFAOYSA-N 406.309 4.563 0 40 HJAB O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1NCCC1=CCCCC1 3284481 ADSWLWUIQDZLMT-UHFFFAOYSA-N 404.510 4.735 0 40 HJAB Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2cccc(C)c2)cc1 3327594 OPDFSAUGDAKKNC-UHFFFAOYSA-N 406.555 4.656 0 40 HJAB O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccccc1Oc1ccccc1 4107179 GEIYRMJWMIHQEH-UHFFFAOYSA-N 415.405 4.552 0 40 HJAB O=c1c2[nH]c3ccccc3c2nc(SCCN2CCCCC2)n1-c1ccccc1F 4341949 LRAFNIMOEIRMRR-UHFFFAOYSA-N 422.529 4.584 0 40 HJAB CCc1ccccc1-n1ncc(-c2nn3c(Cc4ccccc4C)nnc3s2)c1C 4667821 ULTDSGXRSUQQMC-UHFFFAOYSA-N 414.538 4.809 0 40 HJAB CCCCOC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccccc1Cl 4677927 AKFUCFKCEJQRQZ-ZHZULCJRSA-N 410.901 4.946 0 40 HJAB CCCN1C(=O)N(c2ccccc2C)[C@H](N(O)C(=O)Nc2ccccc2C)C1(C)C 4728772 JOGLCVRHMYPQID-HXUWFJFHSA-N 410.518 4.983 0 40 HJAB Cc1ccc(-n2nc(C)c3c(Cl)c(C(=O)NCCc4ccccc4)cnc32)cc1 5314543 MJVGNZIQKHSNLF-UHFFFAOYSA-N 404.901 4.663 0 40 HJAB COc1cccc(/C=C2/SC(=N)NC2=O)c1OCc1ccc(Cl)cc1Cl 5559081 AUSFJOKONACJRS-VIZOYTHASA-N 409.294 4.720 0 40 HJAB CC[C@H](C)Oc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 6243290 VJUCECQAGMOQDU-HNNXBMFYSA-N 422.447 4.972 0 40 HJAB O=C(Nc1nonc1-c1nc2ccccc2n1Cc1cccc(F)c1)c1ccccc1 6383001 MHWMTNMETBGFST-UHFFFAOYSA-N 413.412 4.526 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1cccc(-c2nc3cccnc3s2)c1C 6781383 KUPVKUAHNBTTHU-UHFFFAOYSA-N 405.479 4.936 0 40 HJAB CCCc1n[nH]c(=S)n1NCc1cccc(OC)c1OCc1ccccc1Cl 7601293 KBFGNUNLRMLLRM-UHFFFAOYSA-N 418.950 4.878 0 40 HJAB COc1ccc([C@H](CNC(=O)COc2ccccc2)c2c[nH]c3ccccc23)cc1 7890173 AGAAPCKBMLBWNN-QFIPXVFZSA-N 400.478 4.504 0 40 HJAB CCC[C@@H](NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCC)c1ccccc1 8538832 XRUFJVAFLNFAHH-FXAWDEMLSA-N 423.582 4.945 0 40 HJAB C[C@H](c1ccccc1)N(C)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 8571845 PYJRCVKRDKJVAB-QGZVFWFLSA-N 406.555 4.516 0 40 HJAB COc1cccc(NCc2nnc(SCc3cc(C)on3)n2C2CCCCC2)c1 8776483 PWLIWDOVURRTFN-UHFFFAOYSA-N 413.547 4.993 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccc(Cl)cc1 9426846 UFTKZRWNSPQBHR-UHFFFAOYSA-N 416.934 4.691 0 40 HJAB Cc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1 10112392 AZNXNJPPYIOMGQ-UHFFFAOYSA-N 422.550 4.651 0 40 HJAB O=C(/C=C/c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1c1nnc2n1CCCCC2 12742090 KYUHKYKHWUQIQG-OZSKJFCKSA-N 405.329 4.688 0 40 HJAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(-c2cccs2)nc2ccccc12 12786674 UMWMUBOADXFWQP-UHFFFAOYSA-N 419.481 4.813 0 40 HJAB COc1ccc2cc(COC(=O)[C@H](C)Oc3ccc(C(C)=O)cc3)c(Cl)nc2c1 13058954 IVMRHCMLELKWDY-AWEZNQCLSA-N 413.857 4.610 0 40 HJAB Cc1c(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)sc2nc3n(c(=O)c12)CCC3 15767103 GXURRWWJDFISKD-SNVBAGLBSA-N 422.337 4.510 0 40 HJAB COc1ccc(-c2ccc(CCC(=O)Nc3ccccc3N3CCCC3=O)o2)cc1 16261648 MZTIXMGJCVCMCJ-UHFFFAOYSA-N 404.466 4.653 0 40 HJAB O=C1c2cccc3cccc(c23)C(=O)N1CCCSc1nnc(-c2cccs2)o1 16789942 BFWOKTYEGHZPFP-UHFFFAOYSA-N 421.503 4.730 0 40 HJAB COc1ccc([C@@H]2CC(=O)c3cc4c(C)nn(-c5ccccc5)c4nc3C2)cc1OC 18197798 FCTFCKQCAFQJKE-KRWDZBQOSA-N 413.477 4.659 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccncc2)C1 19449641 FIENERFBDKZVBV-MHZLTWQESA-N 413.565 4.708 0 40 HJAB CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)CN(CCO)Cc2ccccc2)cc1 26780405 RXSZNNUEYOEETB-QHCPKHFHSA-N 413.602 4.635 0 40 HJAB Cc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c(F)c1 32578954 OKRVKZDMACCWCF-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cnc(Cl)c(Cl)c1 32909698 XXRFXBIOBWYMIE-UHFFFAOYSA-N 416.312 4.934 0 40 HJAB Cc1c(Cl)cccc1NC(=O)Cn1ccc(C(=O)Nc2cccc(Cl)c2C)n1 36617854 XWVRNYRITXUERM-UHFFFAOYSA-N 417.296 4.698 0 40 HJAB CCn1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(C)cc3C)c3c(C)noc3n2)n1 36617998 BTVHXDFALGTIEZ-OAHLLOKOSA-N 403.486 4.522 0 40 HJAB O=C(Nc1nnc(SCc2cccs2)s1)c1cc(-c2ccccc2)no1 40158526 YVJMBRZKDAQRAQ-UHFFFAOYSA-N 400.510 4.799 0 40 HJAB CCc1nn2c(ncc3c(=O)n(CCc4cccs4)ccc32)c1-c1ccc(F)cc1 40396870 HHRDJFHLFHKWMH-UHFFFAOYSA-N 418.497 4.717 0 40 HJAB COc1cc(NC(=O)N2CCC[C@H]2c2ccsc2)ccc1NC(=O)c1cccnc1 48278525 UOEQWEFYZNIQIP-IBGZPJMESA-N 422.510 4.773 0 40 HJAB Brc1csc(-c2noc(COc3ccccc3Br)n2)c1 48705385 LLMQCHHRQPMERY-UHFFFAOYSA-N 416.094 4.902 0 40 HJAB CCC[C@H](NC(=O)CNC(=O)c1ccccc1Cl)c1cccc(C(F)(F)F)c1 58294708 VQIUOYVGMKGLFF-KRWDZBQOSA-N 412.839 4.746 0 40 HJAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 59321205 ILELCOVMHSBNRV-OXQOHEQNSA-N 407.518 4.585 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H](c3cccc(-c4cccc(F)c4)n3)C2)cc1 72349558 ZCOIDHOEOWTRDR-FQEVSTJZSA-N 404.485 4.845 0 40 HJAB CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1ccnn1C 72370756 PNUDHIHDLYTAGP-GOSISDBHSA-N 424.614 4.760 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2cnc(Br)cc2C)c2ccccc12 79001483 PVIKXTLHOGQFBC-UHFFFAOYSA-N 421.316 4.505 0 40 HJAB CCC(=O)N1N=C(c2ccccc2OC)C[C@@H]1c1cc2cc(OC)ccc2nc1Cl 89941556 KXRWTHQOWQKOEK-HXUWFJFHSA-N 423.900 4.993 0 40 HJAB CCOC(=O)Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1Br 95630443 HEUUWFSJPFDEQG-UHFFFAOYSA-N 410.211 4.577 0 40 HJAB Cc1noc(C)c1CNc1nc(NCc2c(C)noc2C)c2cc(Cl)ccc2n1 96011548 ZEYWIHFYNWPOOD-UHFFFAOYSA-N 412.881 4.717 0 40 HJAB COc1ccc(C)cc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 98073057 CKKFBGLCJRKHTL-UHFFFAOYSA-N 424.238 4.586 0 40 HJAB COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C)cc3C)n2)cc1F 98211449 YFRPFNMKAUHEAU-UHFFFAOYSA-N 420.444 4.608 0 40 HJAB FC(F)Oc1ccccc1[C@@H]1C=C(c2cccc(Br)c2)Nc2ncnn21 101641774 MSIZLPNHZFECQM-HNNXBMFYSA-N 419.229 4.698 0 40 HJAB CCOc1ccc(CCCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1OC 216471616 HHWYUWLANUBSKK-HXUWFJFHSA-N 424.585 4.688 0 40 HJAB CCOc1ccc(CCCNC(=O)COc2cc(C)c(Br)c(C)c2)cc1 218843068 BKXXGWHUXDJKGZ-UHFFFAOYSA-N 420.347 4.592 0 40 HJAB Cc1ccc(C)c(NC(=O)CCNC(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)c1 222550482 JULHLKKHZXIMDN-UHFFFAOYSA-N 412.921 4.646 0 40 HJAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)s2)cc1 223959531 XQOPZPBHNWHATK-WOJBJXKFSA-N 408.552 4.587 0 40 HJAB CCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 224029247 BLEWXQSBWJLZOA-UHFFFAOYSA-N 414.914 4.956 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl 224051210 YUMHMFJZMOHXRH-OAHLLOKOSA-N 421.368 4.868 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 224153759 GCVCZQGNWYBGAV-JOCHJYFZSA-N 412.961 4.749 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 224179926 CUTUPECKCHKMAK-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB COc1cccc(OCc2cc(C(=O)NCc3ccccc3Cl)ccc2OC)c1 224250239 PZOVAJLFRGDMAD-UHFFFAOYSA-N 411.885 4.866 0 40 HJAB Cc1ccccc1OCCNC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 224542808 RTWUKBSMKLAPCT-UHFFFAOYSA-N 421.368 4.709 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](CC)C(=O)NCC(C)C)cc1 224548232 HSBSDQGJMADIGS-XMMPIXPASA-N 408.586 4.761 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 225114293 LWWKGBDPPYARNH-ROUUACIJSA-N 400.950 4.523 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 225207429 QWTVGBVUVJYBDK-HOTGVXAUSA-N 421.368 4.868 0 40 HJAB O=S1(=O)N(Cc2ccccc2)c2ccccc2C12CCN(Cc1ccsc1)CC2 306142856 XMPCWFNXUYGYJW-UHFFFAOYSA-N 424.591 4.589 0 40 HJAB CCCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)N(CC)CC)cc2)cc1 408562474 PWPJTTWDORTDMN-UHFFFAOYSA-N 403.548 4.704 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 408696050 VMSDWYCDEMSDSN-UHFFFAOYSA-N 416.456 4.951 0 40 HJAB CC(C)Oc1cccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1 408702198 ABJLVTVGCFUDLM-UHFFFAOYSA-N 424.522 4.555 0 40 HJAB CCOc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br 409066974 OIOMOJUVCKDOTG-OQLLNIDSSA-N 421.678 4.599 0 40 HJAB c1ccc2c(c1)CC[C@@H](c1noc(C3CCN(c4nc5ccccc5o4)CC3)n1)C2 680771046 YFZADVPGXNXITD-LJQANCHMSA-N 400.482 4.867 0 40 HJAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3CC[C@@H](Cc4ccccc4)C3)C2)c1 1523602543 OEUJHJTXAQUGAI-SONWIMMPSA-N 418.581 4.683 0 40 HJAB CC(C)Cc1ccc(-c2nc(-c3ccc(CN[C@H]4C[C@@H](C(=O)O)C4)c(F)c3)no2)cc1 1560403813 JNFXMFRSTYONCX-BGYRXZFFSA-N 423.488 4.694 0 40 HJAB CC(C)COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1 934629 RMOBRHGKKWHODR-CQSZACIVSA-N 420.303 4.668 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCCC3)c1 997783 OCSORCTXVZYXPN-UHFFFAOYSA-N 417.527 4.852 0 40 HJAB CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1C[C@@H](C)C[C@H](C)C1 1341179 UUJPOMSUSTWSJI-HOTGVXAUSA-N 408.546 4.767 0 40 HJAB O=C(CSc1nncc2ccccc12)Nc1ccc(OCc2ccccc2)cc1 1441545 CKGJIFYHBDVTTQ-UHFFFAOYSA-N 401.491 4.940 0 40 HJAB CCCCc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2CC)cc1 2444154 FWEOOTLASKDAGT-UHFFFAOYSA-N 424.570 4.950 0 40 HJAB Nc1c(-c2cccs2)cnn1-c1ccc(Cc2ccc(Cl)cc2Cl)nn1 2508496 ABYLANXKCTVCEE-UHFFFAOYSA-N 402.310 4.871 0 40 HJAB Cc1cc(C)c(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1C 2634088 SEXIUVYBTASLPL-VWLOTQADSA-N 406.526 4.559 0 40 HJAB CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)s1 2704378 AZRUMCWSEAXNRQ-KRWDZBQOSA-N 403.463 4.518 0 40 HJAB COc1ccc(CCn2c(C)cc(C(=O)COc3ncnc4ccccc34)c2C)cc1 3278838 IVFDVTYBHWMPNP-UHFFFAOYSA-N 415.493 4.561 0 40 HJAB Cc1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1Cl 3433607 ADTFGHSKBNLQTQ-UHFFFAOYSA-N 403.869 4.659 0 40 HJAB CCC(=O)Nc1cc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)ccc1C 4217275 QGRFJCLAKRAWPE-UHFFFAOYSA-N 420.538 4.895 0 40 HJAB CN(C)CCCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2ccc(F)cc2s1 4359607 YFQMCHXEXDJFQG-UHFFFAOYSA-N 411.546 4.913 0 40 HJAB O=C(CSc1nc2c(oc3ccccc32)c(=O)n1C1CCCC1)Nc1ccccc1 4852726 CPUJEWQHXQDONI-UHFFFAOYSA-N 419.506 4.989 0 40 HJAB COc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2OC)cc1Cl 4973325 ZEXMBSXRXBGEID-UHFFFAOYSA-N 409.829 4.813 0 40 HJAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2)c1cccs1 5321973 VXFGBAHIAAOSFF-UHFFFAOYSA-N 407.472 4.971 0 40 HJAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)NC(=O)N1 5517786 DXSUATSWNPSAIH-INIZCTEOSA-N 409.795 4.625 0 40 HJAB CC[C@H](C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 6243282 SGLIZSWRCKUTKI-HNNXBMFYSA-N 422.447 4.972 0 40 HJAB C[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 6509832 DGKIROTWNRGCDM-NSHDSACASA-N 402.210 4.724 0 40 HJAB Cc1ccc(COc2ccc(/C=C3\NC(=S)N(c4ccccc4)C3=O)cc2)cc1 6841148 BMTFTYYMZIUBBL-JCMHNJIXSA-N 400.503 4.836 0 40 HJAB c1ccc(-c2nnc(CSc3nnc(N4CCCCC4)n3-c3ccccc3)o2)cc1 7072040 AIUZTBLERCGLKL-UHFFFAOYSA-N 418.526 4.600 0 40 HJAB O=C(CSc1nnc(-c2cccs2)o1)N[C@H](c1ccccc1)c1cccs1 7541786 OBSFLCNMCRZNQL-QGZVFWFLSA-N 413.549 4.858 0 40 HJAB CN(CC(=O)Nc1ccccc1Cc1ccccc1)Cc1nc2ccccc2s1 7689379 RYJXIOXPECBSRL-UHFFFAOYSA-N 401.535 4.958 0 40 HJAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3c[nH]c4ccccc34)o2)cc1OC 8231556 LZTGQEIUMXKFED-LBPRGKRZSA-N 409.467 4.599 0 40 HJAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCC(c2nc3ccccc3s2)CC1 8305841 VNXICXAWVBABDB-UHFFFAOYSA-N 414.914 4.741 0 40 HJAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@H](C)CCc3ccco3)c(C)c12 8764530 QZYYRKCQPLZJFQ-OAHLLOKOSA-N 407.466 4.737 0 40 HJAB biogenic O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)Nc1ccc(F)cc1F 9095768 YGBXHLHGXFHHSW-UHFFFAOYSA-N 415.252 4.788 0 40 HJAB C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 9402841 HOCJPJCXPRVOAR-MRVPVSSYSA-N 416.644 4.560 0 40 HJAB COc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2C)cc1 10060284 NJIPMGIWEREARI-DNQXCXABSA-N 424.504 4.976 0 40 HJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cccc(C)c2C)cc1 11117455 PNFULZPRCWYNRF-VXKWHMMOSA-N 407.539 4.820 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)NCC2(c3ccccc3)CCCC2)cc1 12101393 GPVIFQASCOUAIY-UHFFFAOYSA-N 406.555 4.544 0 40 HJAB CCOc1cccc2s/c(=N/C(=O)c3ccccc3Br)n(CC)c12 12378115 QMMNAOUUTYTTQX-CZIZESTLSA-N 405.317 4.625 0 40 HJAB Cc1nc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)n(C[C@@H]2CCCO2)c1C 12520003 SJNVZLUUEWSWLQ-SFTDATJTSA-N 413.587 4.525 0 40 HJAB C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 12535046 WXDBOLLWFBPXHF-MRVPVSSYSA-N 412.660 4.707 0 40 HJAB O=C1CCSc2ccc(C(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)cc2N1 12625218 PVAQEQRGXFIPSN-UHFFFAOYSA-N 422.481 4.982 0 40 HJAB CS(=O)(=O)Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 13017138 LVMKLEILARFOAO-UHFFFAOYSA-N 422.531 4.760 0 40 HJAB CC(=O)c1sc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)nc1C 13624182 BNGWQYOIIOQXDP-UHFFFAOYSA-N 424.478 4.695 0 40 HJAB COc1ccc2c(=O)c(Oc3ccc(C(=O)Nc4ncc(C)s4)cc3)c(C)oc2c1 13690021 MQQZVKVLPDYNNC-UHFFFAOYSA-N 422.462 4.920 0 40 HJAB biogenic Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 15438770 HRCZZMVFNQRDET-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1cccc(NC(=O)Cn2nc(C3CCCCC3)n(-n3cccc3)c2=S)c1C 16777926 NAPRJLGQSQQKJU-UHFFFAOYSA-N 409.559 4.830 0 40 HJAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C[C@H](C)CC(=O)O)c2C(=O)OC)C1 17088321 OCYUETVFUZNGMC-QWHCGFSZSA-N 409.548 4.515 0 40 HJAB O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN(Cc2ccccc2F)CC1 17844960 MZIMYSXNJQHKFW-UHFFFAOYSA-N 415.921 4.561 0 40 HJAB CCOc1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1OC 20151152 BYZNZPKYPVWMPZ-WUXMJOGZSA-N 407.466 4.807 0 40 HJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccccc1Cl 20151732 WMWHEXMBMWYWEO-UHFFFAOYSA-N 400.887 4.528 0 40 HJAB CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 20495115 SDFMMCKBOJMDMW-UHFFFAOYSA-N 400.478 4.678 0 40 HJAB O=C(Nc1nccs1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20722942 KFTDDMIUNOEZNX-HXUWFJFHSA-N 417.534 4.834 0 40 HJAB COc1cc(CN[C@@H](C)c2ccccc2Br)cc(OC)c1OC(F)F 22777787 QNBVUDQYBYYCEX-NSHDSACASA-N 416.262 4.919 0 40 HJAB Cc1nn(CCC(=O)Nc2ccccc2Cc2ccccc2)c(C)c1Br 27969244 QEDCCXFFCIHOCM-UHFFFAOYSA-N 412.331 4.882 0 40 HJAB O=C(CCc1ccc(-c2ccccc2F)o1)NC1CCN(Cc2ccccc2)CC1 30057289 MHHVGMYGVUEZNZ-UHFFFAOYSA-N 406.501 4.799 0 40 HJAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1 32754610 PPGJIBVMUGLZIB-UHFFFAOYSA-N 418.468 4.791 0 40 HJAB C[C@@H](NC(=O)Cc1noc2ccccc12)c1ccc(NC(=O)Nc2ccccc2)cc1 40115297 FSLSIFFVXKSZOL-MRXNPFEDSA-N 414.465 4.892 0 40 HJAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC(c2ccc(O)cc2)CC1 48135589 VIUOMZXQAPGTOQ-UHFFFAOYSA-N 410.514 4.907 0 40 HJAB COc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486690 IGMWMKZUGIIAIU-UHFFFAOYSA-N 408.845 4.506 0 40 HJAB Cc1ncsc1-c1nc(NC[C@@H]2COc3ccccc3O2)ncc1-c1ccccc1 57775507 FTFRKTFAXVLHMU-QGZVFWFLSA-N 416.506 4.827 0 40 HJAB CCN(CC)CCC[C@H](C)NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 58202234 WRGCHMOREONOBE-INIZCTEOSA-N 419.566 4.688 0 40 HJAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)c1 59227254 CZIMLRGPAQHQLZ-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB CCOc1cc(C(=O)OC)cc(NC(=S)Nc2ccc(C)cc2F)c1OCC 71326072 GOEQRVFMKAOPHM-UHFFFAOYSA-N 406.479 4.527 0 40 HJAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)n1 72354215 CZLWLTUXYUBLAQ-QFIPXVFZSA-N 403.526 4.534 0 40 HJAB Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)COc3ccccc3)CC2)c1 96183780 DXJGRDLNICXPNI-HHHXNRCGSA-N 414.549 4.616 0 40 HJAB COc1ccc([C@H]2Nc3ccccc3-c3nc(=O)c(-c4ccc(C)c(C)c4)nn32)cc1 101087117 ZARLHITUZBBVOM-QHCPKHFHSA-N 410.477 4.570 0 40 HJAB CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@@H]2ON1c1ccccc1 102725994 QGBCDYBRZMPPGI-OUFMZXHOSA-N 406.526 4.890 0 40 HJAB CC(=O)O[C@H]1CC2=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@@H](OC(C)=O)C1 118928060 YXLMKYPZOPOZEL-OPMZOGJSSA-N 416.558 4.628 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)N(CCc1cccs1)C1CCOCC1 206675540 WFMHHLJRRITHOV-UHFFFAOYSA-N 414.354 4.684 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 222395796 MLNTZNRYPHRIDE-DEOSSOPVSA-N 424.585 4.794 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4cccnc4)c3C)N21 222674474 DZBPUGZUUOGGIB-WTIAFYNJSA-N 417.582 4.923 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 222866155 JXWPRAROPDRFSV-KRWDZBQOSA-N 416.562 4.640 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 223193304 GQSLAJFITHISMZ-KRWDZBQOSA-N 418.990 4.766 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1C[C@@H]1CCCO1 223326945 CKRFROWZZMQYFA-BVSLBCMMSA-N 410.587 4.540 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 223377532 VGVOSEWJQCMSOJ-INIZCTEOSA-N 421.368 4.870 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 223973067 GRQJRPQQRLHMCQ-XMMPIXPASA-N 424.585 4.660 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 224095468 XGEYLFVPNUSDES-HXUWFJFHSA-N 418.990 4.766 0 40 HJAB Cc1cc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCC2)cc(C)c1Cl 224778946 UHODWQUWAYLZDG-GOSISDBHSA-N 400.950 4.636 0 40 HJAB CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 224945328 AIEWWUQPWGERLM-UHFFFAOYSA-N 424.733 4.879 0 40 HJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)n1C 225339990 IUNWRGUJPNEVDP-VXKWHMMOSA-N 406.555 4.693 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(CC)cc1 225417015 NKXZCPDUVUWQLD-XMMPIXPASA-N 424.585 4.524 0 40 HJAB O=C(Nc1ccc(OC2CSC2)cc1)C1(c2ccc(Cl)cc2)CCOCC1 225932751 GSXSSLSUCCPQEP-UHFFFAOYSA-N 403.931 4.521 0 40 HJAB CCN(CC)c1cc(C2CCN(Cc3ccccc3F)CC2)nc(-c2cccnc2)n1 257226297 FKAKFTAGNVHNMD-UHFFFAOYSA-N 419.548 4.904 0 40 HJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)Cc3ccccc3F)CC2)n1 257325205 WRYFMYQOBHVRMS-KESTWPANSA-N 418.516 4.619 0 40 HJAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@@]2(CC1)CN(c1cccc(Cl)c1)C(=O)O2 257331025 XRBMHZJHRMKWSA-XMMPIXPASA-N 424.928 4.850 0 40 HJAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C)c(Cl)c4)c3)C(=O)[C@H]2C1 408686075 RYOWJCCCQQIMLW-OALUTQOASA-N 408.885 4.746 0 40 HJAB CCOc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 409055622 ZWSZTDHVEJNEPL-UHFFFAOYSA-N 408.542 4.874 0 40 HJAB CCCc1sc2nc(SCC(=O)OC)n(-c3ccc(CC)cc3)c(=O)c2c1C 409109794 LQQQOPYPTMDJSI-UHFFFAOYSA-N 416.568 4.536 0 40 HJAB COc1ccc(Cl)c(C(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)c1 585091757 JKSUCDNUXAISIW-UHFFFAOYSA-N 409.869 4.889 0 40 HJAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(Cl)cc1 684284 HETOKPFUPQIXHC-LJQANCHMSA-N 412.902 4.748 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1C1CCCCC1 924484 AZFJSUGBDZTWPC-UHFFFAOYSA-N 407.543 4.885 0 40 HJAB O=C(c1ccc(Br)cc1)c1cc2c(cc1Br)OCCCO2 1041987 UFUGCEORIIOXQG-UHFFFAOYSA-N 412.077 4.604 0 40 HJAB O=c1ccn(-c2cccc(C(F)(F)F)c2)nc1-c1ccn(-c2cccc(Cl)c2)n1 1392531 ZRNONHUOKAABFD-UHFFFAOYSA-N 416.790 4.757 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(c1nnc(C)s1)C3=O 2423451 KGWBPQSDWSLLJY-KRWDZBQOSA-N 423.881 4.665 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 3256019 QFIAEVCXDKSVHV-QGZVFWFLSA-N 414.505 4.638 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3984001 CPDBALYNZRPEBV-YRUWNSOBSA-N 416.631 4.855 0 40 HJAB biogenic O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc2ncsc2c1 4088417 QNNSZRWNDGMGRO-UHFFFAOYSA-N 405.460 4.779 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(Cc1cccs1)C(=O)c1ccco1 4240756 IGZBZLINXGZSER-OAQYLSRUSA-N 408.523 4.784 0 40 HJAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCCC3)nc2-c2ccc(C)cc2)cc1 5358271 WNUYOXVVPFMWIM-SFHVURJKSA-N 418.566 4.925 0 40 HJAB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1OC 6048798 JCXSMEDZPSSJNW-UHFFFAOYSA-N 405.292 4.839 0 40 HJAB CCCCN1C(=O)CC[C@@H](C(=O)NC2CCCCCC2)[C@@H]1c1ccc(OC)cc1 6508694 OJUNXKVLFVZVPY-GGAORHGYSA-N 400.563 4.614 0 40 HJAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)N[C@H]1CCCc2ccccc21 6553603 LMYFQRRRRFSPOB-FQEVSTJZSA-N 405.567 4.670 0 40 HJAB O=c1[nH]c(-c2cc(Br)ccc2OCc2ccccc2)nc2ccccc12 6609910 LWDKFVDMDGPYEI-UHFFFAOYSA-N 407.267 4.932 0 40 HJAB COc1cc(OC)c2c(-c3ccccc3)cc(SCC(=O)N3CCCC3)nc2c1 7040267 FWRLWCPOMDJHAV-UHFFFAOYSA-N 408.523 4.634 0 40 HJAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N1CCc2ccccc2C1 7160784 IJWKTRGRHHPNOO-CYBMUJFWSA-N 417.456 4.714 0 40 HJAB COc1cccc(-n2c(-c3ccc(Br)o3)nc3nc4ccccc4nc32)c1 9307327 CBIAGAZEEUQFDS-UHFFFAOYSA-N 421.254 5.000 0 40 HJAB O=C(c1ccc(-n2nncc2-c2cccs2)cc1)N(c1ccccn1)c1ccccn1 9644838 BUBMVOIEJPLGNB-UHFFFAOYSA-N 424.489 4.764 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2Cl)cc1C 10112565 JGBAWKIWULPGKO-AWEZNQCLSA-N 420.962 4.630 0 40 HJAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccccc2s1 10215076 XOVUBXGODSQYIR-MRXNPFEDSA-N 406.598 4.686 0 40 HJAB Cc1ccc([C@H](C)C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)cc1 12254239 NCPCMIXWAWDKQA-JTSKRJEESA-N 400.526 4.780 0 40 HJAB COc1ccc(OC)c([C@@H]2CC(=O)c3c(C)cc4oc(=O)c5c(c4c3O2)CCCC5)c1 12296761 SIZNZQPZGBRDDU-FQEVSTJZSA-N 420.461 4.704 0 40 HJAB biogenic COc1cccc([C@@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)c2nccn2C)c1 12547429 BZKDFKRLYYUWMJ-RUZDIDTESA-N 411.505 4.544 0 40 HJAB Cc1ccc([C@@H](NCC(=O)Nc2cc(C)nn2-c2ccccc2)c2cccs2)cc1 12816321 UWPKPSZNCAVZBI-XMMPIXPASA-N 416.550 4.868 0 40 HJAB COc1ccc(Br)c(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1 12877069 NFRAPOXWUVZBFJ-UHFFFAOYSA-N 423.357 4.881 0 40 HJAB COc1cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c(OC)cc1Cl 12924650 PQEJZCHEBCMBAI-UHFFFAOYSA-N 414.893 4.813 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1 13512099 QRWIMPDPKYXNEE-UHFFFAOYSA-N 422.510 4.835 0 40 HJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(C)cc1C 13568058 CTCMDNHTHPYFCJ-UHFFFAOYSA-N 403.438 4.533 0 40 HJAB O=C(CCCn1nc(-c2cccs2)ccc1=O)Nc1ccc(Cl)c(Cl)c1 13698630 QRTIXTQNRATCNE-UHFFFAOYSA-N 408.310 4.698 0 40 HJAB CC(C)c1ccc(-c2noc(CSc3nnc(NC[C@@H]4CCCO4)s3)n2)cc1 14109016 VSFZXRPPVFOLBN-HNNXBMFYSA-N 417.560 4.595 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(COc2cc(C)ccc2C)n1CC 14117502 FMWGUQJIQZOYJS-UHFFFAOYSA-N 424.570 4.787 0 40 HJAB CCOc1ccc(NC(=O)CN2C(=O)C[C@@H](c3ccco3)Sc3ccccc32)cc1 17307830 CMDRWPZARZZCGJ-NRFANRHFSA-N 422.506 4.887 0 40 HJAB CCn1ncc(CN2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1C 19523964 QENZFIVCZRQUHF-HXUWFJFHSA-N 408.502 4.712 0 40 HJAB O=C(c1cc(-c2ccccn2)nc2ccccc12)N(Cc1ccccn1)C[C@@H]1CCCO1 19666516 BMBJUWYWJGLBPX-FQEVSTJZSA-N 424.504 4.513 0 40 HJAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2C(=O)c2ccccn2)n1 19694480 CVEBWFKFRTUMJC-HXUWFJFHSA-N 421.932 4.625 0 40 HJAB Cc1nn(-c2ccccc2)c2nc(C3CCN(C(=O)[C@@H]4CC45CCC5)CC3)ccc12 19744639 RPERGYVLXHHNQA-NRFANRHFSA-N 400.526 4.625 0 40 HJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 20151641 QNMBNWQVNGQUEH-UHFFFAOYSA-N 408.523 4.998 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4)cc3n2)cc1Cl 20610719 RSAPYXRMGDNKNO-UHFFFAOYSA-N 413.264 4.988 0 40 HJAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(F)c2)c1 21577258 VFWYXEMOIOTSSF-UHFFFAOYSA-N 415.534 4.730 0 40 HJAB CCC[C@@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccccc3)N2C1=O 21936259 NFBWYWYEQGITHX-RBUKOAKNSA-N 420.538 4.596 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4)c3C)n2)cc1OC 21973520 BBLWFKSKGSRARZ-UHFFFAOYSA-N 420.494 4.574 0 40 HJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1OC 22519412 RYFSHYMEHGXQRJ-LBPRGKRZSA-N 410.333 4.894 0 40 HJAB Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(CN2CCCCC2)cc1 22973136 HQYKVZPMSKLATH-UHFFFAOYSA-N 409.555 4.556 0 40 HJAB COc1cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)ccc1OCc1c(C)noc1C 26871939 OPSPJKPDOULDEF-OAHLLOKOSA-N 412.461 4.851 0 40 HJAB O=C(OCc1nc2ccccc2s1)c1csc(COc2ccc(F)cc2)n1 29520196 JOHRSBIBFYBQOH-UHFFFAOYSA-N 400.456 4.828 0 40 HJAB Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1)C(C)C 30117230 RJGZZCRQBHNQOL-HNAYVOBHSA-N 406.448 4.646 0 40 HJAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cc(Cl)ccc1N1CCCCC1 31485471 NCSVWVDRCXBYPC-LJQANCHMSA-N 415.946 4.772 0 40 HJAB CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2cc(Cl)ccc2C)CC1 33088313 WMRQCIKUNVELIL-UHFFFAOYSA-N 424.932 4.845 0 40 HJAB Cc1nc2cc(NC(=O)c3cc(Cl)ccc3I)ccc2o1 33229944 YWTCEJYQAMJFEZ-UHFFFAOYSA-N 412.614 4.647 0 40 HJAB Cc1ccn2cc(-c3cccc(NC(=O)[C@H](c4ccc(F)cc4)N(C)C)c3)nc2c1 35316888 ODYUYJGAOXCPJR-QHCPKHFHSA-N 402.473 4.690 0 40 HJAB COc1ccc([C@@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1 36611709 UESNBVGKPZGNAQ-MRXNPFEDSA-N 400.482 4.537 0 40 HJAB CCn1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)ccc1=O 58406494 TVFPRFVOWTXKDD-UHFFFAOYSA-N 403.869 4.989 0 40 HJAB O=C(Nc1cc2c(cc1C(=O)Cc1ccccc1)OCCO2)c1ccc(Cl)cc1 67340217 ZHAXSZDUBSBRHM-UHFFFAOYSA-N 407.853 4.789 0 40 HJAB CC(C)(C)c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1c[nH]nc1-c1cccs1 72337366 PWPSIKSLSDPFHU-DOTOQJQBSA-N 418.570 4.740 0 40 HJAB COc1cccc2cc(C(=O)N3CCO[C@@H](c4cc(Cl)cc(Cl)c4)C3)oc12 90613823 PCOKPRCPZJLCED-GOSISDBHSA-N 406.265 4.962 0 40 HJAB C[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CCOCC2)c2ccccc21 95953228 UCGGIZIGYSHAAA-OAHLLOKOSA-N 400.316 4.648 0 40 HJAB CC(=O)N(c1ccccc1)c1nc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)cs1 96635138 IWVMHTIAGKTVOC-UDWIEESQSA-N 417.490 4.789 0 40 HJAB COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1ccc(N3CCCCC3)cc1)cn2C 141556469 NNYVQMLUMGLNKN-SFHVURJKSA-N 405.542 4.538 0 40 HJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)cc1 210812686 LKNQALGPACIFTC-CPNJWEJPSA-N 424.522 4.668 0 40 HJAB CCSc1ccccc1NC(=O)[C@@H](CC)N(c1cc(C)ccc1C)S(C)(=O)=O 220554721 HHYNULQZTZVPLL-GOSISDBHSA-N 420.600 4.599 0 40 HJAB Cc1ccc(CN(C(=O)CCCOc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222769919 DKXRJJZOSVEQBY-NRFANRHFSA-N 424.585 4.794 0 40 HJAB CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1Cl 223046429 DAUSUOBUIKYPKP-XMMPIXPASA-N 420.940 4.616 0 40 HJAB Cc1cccc(CCCNC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)c1 223453380 LXDHCPNQIUNARS-QJOMJCCJSA-N 418.562 4.885 0 40 HJAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223488803 NKXFTIKYTZTCSY-VWLOTQADSA-N 418.512 4.665 0 40 HJAB CN(c1cccc(C(=O)Nc2cccc(F)c2)c1)S(=O)(=O)c1ccc(Cl)cc1 224270734 SLJYQIUPCRILEY-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB CCN(Cc1ccc(C(=O)Nc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 224453834 GCEJMYZWCZJHOS-UHFFFAOYSA-N 422.550 4.767 0 40 HJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSCc1ccccc1 224643245 UTOYNPSIDGRFEQ-FQEVSTJZSA-N 424.610 4.786 0 40 HJAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C(C)C)c1 224845985 LVBSEIDULXXWRJ-FGZHOGPDSA-N 422.554 4.658 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 225208378 PCEBZANAFURPGS-ZWKOTPCHSA-N 400.950 4.523 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 225555864 LOFDGHTYPCPPFZ-KRWDZBQOSA-N 418.990 4.515 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1NC(=O)C(C)C 225802254 UTSODUVZILCYSY-UHFFFAOYSA-N 422.572 4.591 0 40 HJAB CC(C)c1cc(I)ccc1NC(=S)NC(=O)c1ccccc1 408595377 IKWSQAJGRZPXIV-UHFFFAOYSA-N 424.307 4.541 0 40 HJAB COc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 408698360 MWUPHKNEUMLPQK-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)n2C)c1 409162258 ZBXBMEDWXUNKNS-UHFFFAOYSA-N 424.570 4.865 0 40 HJAB O=C(Nc1c(O)cccc1Cl)c1ccc(C(=O)Nc2c(O)cccc2Cl)cc1 646488035 JEDXLDUVERDRNK-UHFFFAOYSA-N 417.248 4.909 0 40 HJAB Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@](O)(c4cccc(C(F)(F)F)c4)[C@H]3C2)s1 2038029476 ZETJBZURNMLBCV-GZRFBZBPSA-N 409.473 4.835 0 40 HJAB CC(C)CCNC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 2388940 KQRYYHGUAOEZDJ-UHFFFAOYSA-N 421.932 4.644 0 40 HJAB Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(-c3ccc(Cl)cc3)cc2n(C)c1=O 2413642 JRVQTVIVPMRAJH-UHFFFAOYSA-N 421.928 4.646 0 40 HJAB CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Cl)c1 2434093 NUZUUIJWCULDDR-FQEVSTJZSA-N 411.885 4.807 0 40 HJAB O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)c1ccc(Cl)cc1 2459463 ZWXFLUFHCGRVPX-UHFFFAOYSA-N 414.939 4.509 0 40 HJAB COc1ccc(OC)c(C(=O)CSc2nnc(Nc3cccc(C)c3)s2)c1 3370301 JHROINYOXQYYEA-UHFFFAOYSA-N 401.513 4.582 0 40 HJAB O=c1c2ccccc2nc(SCc2nc3ccccc3s2)n1Cc1ccco1 3372071 ZPAWMCWHHWARRS-UHFFFAOYSA-N 405.504 4.940 0 40 HJAB aggregator CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1ccc(Cl)cc1 3540617 NIAQFNZLGPSYNQ-UHFFFAOYSA-N 407.901 4.663 0 40 HJAB C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)c1ccccc1 4084805 SMBBHPVLMHSHPM-GVHPLLPZSA-N 421.500 4.515 0 40 HJAB biogenic COc1ccc(NC(=O)CCCCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 4611135 BYRUZMRGOCXDBV-UHFFFAOYSA-N 416.477 4.644 0 40 HJAB CCCOc1ccc(NC(=O)COCC(=O)N(c2ccccc2)c2ccccc2)cc1 4680816 VUSWWDUFBWTFHS-UHFFFAOYSA-N 418.493 4.795 0 40 HJAB Cc1nc2ccc(NS(=O)(=O)c3ccc4oc5ccccc5c4c3)cc2nc1C 4698125 VKCXFHWMBUFKHY-UHFFFAOYSA-N 403.463 4.947 0 40 HJAB Fc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(c4ccc(F)cc4)CC3)n2)cc1 4734321 YSOWFEMBDYESCR-UHFFFAOYSA-N 420.385 4.767 0 40 HJAB Cc1cc(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c(C)n1Cc1ccco1 4847042 SCNGOCBMUNWSJX-UHFFFAOYSA-N 407.800 4.718 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(C)cc2)cc1 5008034 GAYNRIHCCFXASI-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB COc1cc([C@@H]2CC(c3cccnc3)=NN2c2ccc(F)cc2)cc(OC)c1OC 5603974 VTERAFNFGAIBOC-FQEVSTJZSA-N 407.445 4.602 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1c(O)n(CCC(C)C)c2ccccc2c1=O 5689943 DPNLPVSNMYPRPG-UHFFFAOYSA-N 414.889 4.668 0 40 HJAB CC(C)N(CC(N)=O)C(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 6085193 CHPZNYWIJXLLJE-UHFFFAOYSA-N 416.930 4.714 0 40 HJAB O=C(CSc1nc2ccccc2[nH]1)N1c2ccccc2OC[C@H]1c1ccccc1 6651968 UQOBUBXWQDGJQN-FQEVSTJZSA-N 401.491 4.822 0 40 HJAB COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(C)cc1C 6913973 NIXBWVLCPFINEY-UHFFFAOYSA-N 401.509 4.619 0 40 HJAB Cc1ccc(-n2nc(C)c(NC(=O)CN3CCC(Cc4ccccc4)CC3)c2C)cc1 7341711 PLGSITZPIFEOMH-UHFFFAOYSA-N 416.569 4.691 0 40 HJAB COc1ccc2[nH]c(S[C@@H](C(=O)NCc3ccccc3)c3ccccc3)nc2c1 8018973 WSMIBHKAFLZBQD-OAQYLSRUSA-N 403.507 4.721 0 40 HJAB O=C(COc1ccc(Br)cc1)Nc1c(-c2ccccc2)nc2ccccn12 9741077 MFWAQAJZTBFKSX-UHFFFAOYSA-N 422.282 4.781 0 40 HJAB CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 10333975 BYWNRIHGNAAZFD-UHFFFAOYSA-N 408.523 4.621 0 40 HJAB CC(C)c1ccc(-c2nc(CC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)cs2)cc1 12296553 DGLDJSARYPKABE-RBBKRZOGSA-N 411.615 4.857 0 40 HJAB biogenic CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccccc2N2CCCC2)CC1=O 12537222 YUDBKLFFMHXZFJ-OALUTQOASA-N 405.542 4.792 0 40 HJAB COc1cccc(NC(=O)c2nnc3c(-c4cccc5ccccc45)c(C)nn3c2C)c1 13635726 ZAYXCRWGGCSRBJ-UHFFFAOYSA-N 423.476 4.822 0 40 HJAB Cc1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)cc1 15398217 NTCMXQZWXNBISX-UHFFFAOYSA-N 422.550 4.952 0 40 HJAB Cc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3CC(C)C)n2)cc1 16843320 SBXXSISCOWPADR-UHFFFAOYSA-N 412.540 4.765 0 40 HJAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccccc2F)c1 17064196 WPFKFMMCQMSOQE-UHFFFAOYSA-N 415.468 4.676 0 40 HJAB COc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1c1nn(C)cc1-c1ccncc1 19290072 YBMFFHGZAUYEPX-LJQANCHMSA-N 410.905 4.512 0 40 HJAB O=C(c1c[nH]nc1C1CCN(Cc2c(F)cccc2Cl)CC1)N1CCCCCC1 19292577 ZXTDQWIODQWJKD-UHFFFAOYSA-N 418.944 4.598 0 40 HJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 20047715 PVVJGOBAABUKFO-XMMPIXPASA-N 423.484 4.887 0 40 HJAB CC1=C(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)[C@H](C)NN1Cc1ccccc1C 20418467 MGDJFWUNOYSTGC-QFBILLFUSA-N 422.573 4.504 0 40 HJAB c1csc(-c2cc(-c3nn4c(-c5cnccn5)nnc4s3)c3ccccc3n2)c1 20745869 MBTAKXHMAJFIDH-UHFFFAOYSA-N 413.491 4.587 0 40 HJAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)no2)cc1 21805397 IKQCKYGIBSJIST-OAQYLSRUSA-N 409.917 4.870 0 40 HJAB COc1ccc(-c2nc(COC(=O)c3cccnc3SCC(F)(F)F)co2)cc1 22868443 NBAIVYSZSCXTHA-UHFFFAOYSA-N 424.400 4.757 0 40 HJAB CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC[C@@H](c2nc3ccccc3o2)C1 24666847 GSHUHTASDYWEGB-HXUWFJFHSA-N 405.542 4.835 0 40 HJAB Cc1cc(Cl)ccc1Oc1nc(CN2CCOCC2)nc2sc(C)c(C)c12 25286154 MIELGPNEMRBMEB-UHFFFAOYSA-N 403.935 4.894 0 40 HJAB CCOc1ccc(N2C3=[N+](CCCCC3)[C@@](O)(c3ccc(OCC)cc3)[C@@H]2C)cc1 27028237 GEKBWPZLZZOYJF-DFBJGRDBSA-N 409.550 4.523 0 40 HJAB CCCCOc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C(C)(C)C 27823536 PFDIMJRDNXHGTL-UHFFFAOYSA-N 424.651 4.751 0 40 HJAB Cc1ccccc1Nc1nnc(SCc2ccccc2Cl)n(-n2cccc2)c1=O 28536297 QBCWTICKCLAELO-UHFFFAOYSA-N 423.929 4.749 0 40 HJAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 30872421 BGMZIVOYKWKFFA-UHFFFAOYSA-N 400.478 4.597 0 40 HJAB FC(F)(F)c1cccc(CN2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c1 32718931 KQSDGOQHCOYJRO-UHFFFAOYSA-N 401.432 4.678 0 40 HJAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc(NC(=O)C(C)(C)C)c3)c12 32906492 RAPWWVSTVMLQIU-UHFFFAOYSA-N 407.518 4.637 0 40 HJAB O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccc2c(c1)NC(=O)CO2 32988898 IYGNRWCBOSWDIG-UHFFFAOYSA-N 417.490 4.649 0 40 HJAB CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccc(Br)cc2)C(=O)O)cc1 33480553 DWLTZLKVXOLDHY-ATVHPVEESA-N 402.288 4.602 0 40 HJAB O=C1N/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1ccc(O)c(O)c1 35644397 JRHUFAGZYCOMNV-MKMNVTDBSA-N 414.792 4.662 0 40 HJAB O=C(c1nc(N2CCCC2)ncc1Cl)N(Cc1ccccc1C(F)(F)F)C1CC1 40141884 BYTLAIQPEWPJNX-UHFFFAOYSA-N 424.854 4.554 0 40 HJAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)c(OC)c1OC 40284131 GLWSUNDWRHJCRF-CYBMUJFWSA-N 413.861 4.675 0 40 HJAB Cc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2C2CCCCC2)s1 44086252 JQCYNURFISNWTK-UHFFFAOYSA-N 413.572 4.946 0 40 HJAB COc1ccc(NC(C)=O)cc1NC(=O)NCCC(c1ccccc1)c1ccccc1 45297768 XZPYTCXEMSWTSR-UHFFFAOYSA-N 417.509 4.997 0 40 HJAB O=C(Nc1ccc(I)cc1)Nc1cccc(Br)c1 51354352 HMOATVXCPIHISN-UHFFFAOYSA-N 417.044 4.698 0 40 HJAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc4oc(=O)ccc4c3)c12 54254244 DYMDUKCYDMDHSK-UHFFFAOYSA-N 418.497 4.977 0 40 HJAB CC(C)CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2ccsc2c1=O 57426037 NZFMZLGQADQLFA-UHFFFAOYSA-N 421.975 4.888 0 40 HJAB Clc1nc2c(cc1CN1CCOCC1)c(-c1ccccc1)nn2-c1ccccc1 57740292 IBRFYXRSISPDKG-UHFFFAOYSA-N 404.901 4.573 0 40 HJAB O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1ccc(F)cc1Cl 67299263 FZZRSELNBOVIPZ-DAFNUICNSA-N 412.804 4.686 0 40 HJAB O=C1c2ccccc2CC[C@@H]1[C@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 68713168 WFAJNDAIPUCZRQ-OFVILXPXSA-N 417.892 4.520 0 40 HJAB Cc1cc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)sn1 68732085 FGCAHQWXOFJYPO-UHFFFAOYSA-N 416.475 4.720 0 40 HJAB COc1cc(NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cc(OC)c1 72314272 RWGUAHCMEHCMHC-KRWDZBQOSA-N 406.486 4.505 0 40 HJAB CCN(CC)Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3cc(C)c(C)cc3[nH]2)o1 72346805 GCAGXXGQIUQWFK-OAQYLSRUSA-N 408.546 4.982 0 40 HJAB Cc1ncc(-c2ccncc2C)c([C@@H]2CCCCN2C(=O)CCc2ccccc2F)n1 72390697 ZVWCKDMABFHRKO-QHCPKHFHSA-N 418.516 4.981 0 40 HJAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177444 UPYZOPXYUSBQDD-INIZCTEOSA-N 418.497 4.912 0 40 HJAB COc1ccccc1[C@H]1CC(=O)Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c21 96221455 PWAZVNNTXXUOPG-GOSISDBHSA-N 414.413 4.615 0 40 HJAB biogenic O=C(NC1=CN(CCc2ccc3c(c2)CCO3)CC1)C(c1ccccc1)c1ccccc1 100099038 IXHUIECBXHWZTQ-UHFFFAOYSA-N 424.544 4.659 0 40 HJAB Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)c1C(=O)OC(C)C 101875027 XEGVHWKWMUAASM-KFWWJZLASA-N 407.532 4.562 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 219325794 HJIYWDBDBMUUCX-MRXNPFEDSA-N 406.269 4.517 0 40 HJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224059599 KWOWMFUWAUFHHD-QFIPXVFZSA-N 414.977 4.649 0 40 HJAB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1C 224180604 ONTZQEPQILVAMY-QHCPKHFHSA-N 422.550 4.701 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 224587219 VWPIRZPBDYSVEZ-XMMPIXPASA-N 424.585 4.695 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 225126047 LNSIBVCYQZPXDV-OALUTQOASA-N 414.977 4.913 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)cc1C 225167521 HDASRFJGZLMSFV-HXUWFJFHSA-N 424.560 4.851 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 225248389 OJVLDBPISNHLFK-HZPDHXFCSA-N 421.368 4.868 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 225292610 LZQQHULYZONQAW-QFIPXVFZSA-N 403.526 4.889 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 225556896 VSFDRCUCMVPQQR-DENIHFKCSA-N 412.599 4.809 0 40 HJAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)NCC4CCOCC4)CCOCC3)cc2)c1 257294790 QVTIAICVFWJKDB-UHFFFAOYSA-N 421.581 4.853 0 40 HJAB O=C(COc1cccc(F)c1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257336035 YMWXAWBIHYZNBU-HXUWFJFHSA-N 414.864 4.800 0 40 HJAB COc1cccc(CC(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(OC)c3)o2)c1 257337281 YSDBVHVMLGHZGF-QHCPKHFHSA-N 420.509 4.579 0 40 HJAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)C1c2ccccc2Oc2ccccc21 390827929 MFCVALYHJIYNAV-XMMPIXPASA-N 417.486 4.631 0 40 HJAB COc1ccc(Cl)cc1C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 408608056 MKILZCCIXCQQBR-UHFFFAOYSA-N 412.961 4.867 0 40 HJAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(F)cc2)cc1 408680034 XXHFSFKYPHUFTO-UHFFFAOYSA-N 402.425 4.966 0 40 HJAB CC(C)(C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704496 ONJBFNAHTVQHKP-FQEVSTJZSA-N 402.947 4.643 0 40 HJAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccccc2)cc1 408907776 RIYWVVJCHPYUPA-UHFFFAOYSA-N 414.914 4.559 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl 409179018 OSOHKUVSIQQDJA-UHFFFAOYSA-N 411.841 4.825 0 40 HJAB CCc1s/c(=N\C(=O)c2ccccc2Br)n(C)c1-c1ccc(F)cc1 409206536 PHBXFMOYNGRSQC-QOCHGBHMSA-N 419.319 4.959 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(F)cc3)[C@](O)(C(F)(F)F)[C@H]2C1 409361631 QNYPJNOBWUNBNA-FRIZHTMISA-N 400.416 4.741 0 40 HJAB CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1 409381358 LSTBOKORTHTGIT-UHFFFAOYSA-N 414.914 4.956 0 40 HJAB CCc1csc([C@@H]2CCCN(CCN3CCC[C@@H](c4nc(CC)cs4)C3)C2)n1 514098190 BZNZJHDBAJELJW-QZTJIDSGSA-N 418.676 4.783 0 40 HJAB CCN1CCCCN(C(=O)CC(C)C)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643561800 AWNXBXAGDXGVEY-IRLDBZIGSA-N 400.563 4.507 0 40 HJAB CC(=O)Nc1ccc(C(=O)CSc2nnc3c(C)cc4cc(C)cc(C)c4n23)cc1 929783 GKAADDFHRMFZLW-UHFFFAOYSA-N 418.522 4.741 0 40 HJAB COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3o2)cc1 1413904 NRQWQFQBVZTKPP-UHFFFAOYSA-N 421.453 4.769 0 40 HJAB O=C(Nc1cc(Br)c(O)c(Br)c1)c1ccc(Cl)cc1 3074255 WTYRMWXMEOQUOS-UHFFFAOYSA-N 405.473 4.823 0 40 HJAB O=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccccc1F 3236017 STKITYOFYOSOHQ-UHFFFAOYSA-N 408.483 4.526 0 40 HJAB Cc1nc(NC(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(Cl)cc1Cl 3393635 RLJNHSZFSLRSHP-SECBINFHSA-N 413.326 4.679 0 40 HJAB CCCN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)NC1=S 3667693 NDGPZGVBNDUCFK-BOPFTXTBSA-N 404.894 4.526 0 40 HJAB CC1=C(C(=O)O[C@H]2CC[C@H](C)[C@@H](C)C2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 4066629 UVIDMRLTCLAOKX-DDWFUNMISA-N 411.329 4.989 0 40 HJAB Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 5053753 MCZWQRPBPUICEI-PKTZIBPZSA-N 414.415 4.769 0 40 HJAB COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)c1 5164965 WMMGYLINIRACHC-OFVILXPXSA-N 416.477 4.955 0 40 HJAB COc1ccc([C@]2(C(=O)Nc3c(C)cccc3C)CC(=O)N2c2ccc(C)cc2)cc1 5451217 LQNGOJYYUCMMJZ-SANMLTNESA-N 414.505 4.891 0 40 HJAB COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1 5557135 MQBAFPMUUIDKAE-UHFFFAOYSA-N 413.477 4.994 0 40 HJAB biogenic C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2)CCN1C(=O)Nc1ccc(Cl)cc1 5676442 NWQBJXKJPCWMKA-ZDUSSCGKSA-N 407.301 4.764 0 40 HJAB CSCC[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 5827130 PDHKEIHUWAHPJN-SFHVURJKSA-N 417.962 4.984 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)[nH]2)cc1 6171292 HWRSDFKOHRZJCJ-UHFFFAOYSA-N 409.298 4.518 0 40 HJAB COC(=O)C1=C(C)N(c2ccc(C(F)(F)F)cc2)C(=O)/C1=C\c1ccc(F)cc1 6348254 WWNUVYURCZHOAW-BOPFTXTBSA-N 405.347 4.722 0 40 HJAB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)NC3CCCCC3)cc1)=NCC2 6453894 VJGBGTJQJLURSL-UHFFFAOYSA-N 421.541 4.746 0 40 HJAB Cc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccccc3)[C@H]2c2cccs2)cc1 6648790 GKZNDLUYJYDUBS-REWPJTCUSA-N 404.535 4.857 0 40 HJAB CCN(c1ccccc1)c1nc2ccc(C(=O)c3ccccc3)cc2n2c(C)nnc12 6901729 RCXFJATYTDPJKG-UHFFFAOYSA-N 407.477 4.975 0 40 HJAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccccn2)c(C)c1 7779289 DLTJZUDFMVTMCH-UHFFFAOYSA-N 415.522 4.742 0 40 HJAB COc1ccc2cc(CN(C)C(=O)CSc3ncnc4sccc34)ccc2c1 8328447 NZHCPHZCWGGWDO-UHFFFAOYSA-N 409.536 4.604 0 40 HJAB CCCOc1c(Br)cc(C(=O)N[C@H](C)c2ccccc2OC)cc1OC 8985120 FIYXKAAOUFLFMA-CYBMUJFWSA-N 422.319 4.746 0 40 HJAB Cc1nc(SCC(=O)NC(=O)Nc2ccccc2F)n(C2CCCCC2)c1C 9114378 VRENMEQZKFQGFS-UHFFFAOYSA-N 404.511 4.585 0 40 HJAB O=C(NCCCn1c(-c2ccc(F)cc2)cc2cccnc21)c1c(F)cccc1F 12291913 JGGQDOONELFRQC-UHFFFAOYSA-N 409.411 4.941 0 40 HJAB CCc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(F)cc3)n3ccccc23)cc1 12342083 BSBIEWFDOWYVJO-UHFFFAOYSA-N 401.441 4.706 0 40 HJAB COc1ccccc1[C@H]1[C@@H](C(=O)Nc2ccncc2)CCC(=O)N1c1ccc(C)cc1 12775974 BBRCWTVFWKRRJT-URXFXBBRSA-N 415.493 4.522 0 40 HJAB C[C@@H](NC(=O)Cc1csc(SCC(=O)c2cccs2)n1)c1ccccc1 13654038 PKFRZGDYJLSIRV-CYBMUJFWSA-N 402.566 4.600 0 40 HJAB Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccs4)[C@H]3C2=O)c(C)c1 13750999 GGXVKOKJHJWILE-HJNYFJLDSA-N 418.518 4.724 0 40 HJAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)N1CCCCCC1 13945774 FFYZOSBBLVMDJW-RUZDIDTESA-N 415.537 4.814 0 40 HJAB c1coc(-c2cc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)no2)c1 14200745 UNEGHORLAFQMKR-CQSZACIVSA-N 414.512 4.726 0 40 HJAB C[C@H]1CCc2[nH]c3ccc(C(=O)N(C)CC(=O)Nc4ccccc4Cl)cc3c2C1 15388817 XGGZSQGNBCPTAV-AWEZNQCLSA-N 409.917 4.657 0 40 HJAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1 17091070 FZAPYPFEMYRMLU-UHFFFAOYSA-N 417.490 4.939 0 40 HJAB Cc1cc(C(=O)N(Cc2ccccc2)Cc2ncccc2C)c2cnn(C(C)C)c2n1 19237770 OVOYEJXMAWADDN-UHFFFAOYSA-N 413.525 4.867 0 40 HJAB O=C(C1CCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccs3)CC[C@H]21 19343534 IZYFIWABDUMHNV-NJDAHSKKSA-N 400.613 4.816 0 40 HJAB CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCCN(Cc4ccncc4C)C3)cc2N1 19500876 RWCYJNURQPBREZ-LMMKCTJWSA-N 407.484 4.664 0 40 HJAB COc1cccc([C@@H](CC(=O)c2ccccc2)c2c(O)c3ccccc3oc2=O)c1 19897602 ZHRHQHWXSJKWCL-HXUWFJFHSA-N 400.430 4.912 0 40 HJAB CCOc1ccc(/C=C/C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1OC 20151131 IPPPSICOXMMUEG-FNORWQNLSA-N 410.253 4.751 0 40 HJAB O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(Cl)c(Cl)c1 20457083 UQTKXNFFFRIKMW-UHFFFAOYSA-N 421.305 4.873 0 40 HJAB CC(C)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 22259250 HRLBLDVQWYQVFI-UHFFFAOYSA-N 400.544 4.673 0 40 HJAB CS(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1cc(Cl)cc(Cl)c1 22273487 RYRQNZDPHGNTDQ-UHFFFAOYSA-N 423.321 4.551 0 40 HJAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc(Cl)cc1 23499468 XSBHIPIHJUUJKL-VGSWGCGISA-N 406.913 4.559 0 40 HJAB O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCc2ccccc21 24018310 FXSCYCHCSUQYRL-UHFFFAOYSA-N 423.866 4.950 0 40 HJAB COC(=O)c1cc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)ccc1F 26349321 RKRBVEWQWILGQG-UHFFFAOYSA-N 406.772 4.621 0 40 HJAB CCc1ccccc1-n1ncc(-c2nn3c(-c4ccc(OC)cc4)nnc3s2)c1C 36470948 UVAVXUBYPYDQDR-UHFFFAOYSA-N 416.510 4.585 0 40 HJAB O[C@H](CNCC1(N2CCCCC2)CCCCC1)COc1ccc(Cl)cc1Cl 39782121 OASGMNNTOQISCE-GOSISDBHSA-N 415.405 4.512 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3ccccc3C)CC1)CC(C)(C)O2 44855517 GXMGFBPQCLLQNL-HSZRJFAPSA-N 422.569 4.634 0 40 HJAB CN(c1ccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)cc1F)C1CCCCC1 48237657 AFFJPECNLHHQNJ-OAQYLSRUSA-N 403.473 4.589 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3O)CC2)c1 57406250 KZPMPXXJBUHUBU-RUZDIDTESA-N 415.537 4.511 0 40 HJAB COc1cc(C(=O)N(C)[C@@H](c2cccc(F)c2)c2ccccn2)cc(Cl)c1OC 58367137 NEFOOJWYKNQXDK-FQEVSTJZSA-N 414.864 4.753 0 40 HJAB CC(C)(C)OC(=O)NC[C@@H](NC(=O)/C=C/c1ccncc1)c1ccc2ccccc2c1 95446912 XDNSHCVIXHNNNU-YVWYTEFXSA-N 417.509 4.630 0 40 HJAB CCc1cc(=O)c2cc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)ccc2[nH]1 95465049 ZDWMQGLMIJICIH-UHFFFAOYSA-N 420.472 4.953 0 40 HJAB O=C(CCc1nc(CSc2nc3ccccc3o2)no1)Nc1ccccc1Cl 95481916 KBBOMPHNSWHSLL-UHFFFAOYSA-N 414.874 4.728 0 40 HJAB COc1ccc(CCN2CC(O)=C(c3nc(-c4ccc(OC)cc4)cs3)C2=N)cc1 102733038 IXVQBSPFCHXBKW-UHFFFAOYSA-N 421.522 4.632 0 40 HJAB CCn1c(CNC(=O)c2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 107924305 RQWBEQNDXJVFQP-UHFFFAOYSA-N 421.353 4.827 0 40 HJAB CC(C)c1ccc(OCC(=O)NCCCN(C)c2ccccc2)c(Br)c1 218878371 HHFYLWFXFPIDQQ-UHFFFAOYSA-N 419.363 4.594 0 40 HJAB CC1(C)C[C@H](NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c2ccccc2O1 219469372 JVXZZAZXYPMRGY-FQEVSTJZSA-N 414.505 4.999 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 222606256 FXHVWDWCASILHR-OAQYLSRUSA-N 416.562 4.558 0 40 HJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 222986134 KDMIUTSKPYYAAX-JOCHJYFZSA-N 400.950 4.771 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 223312999 RNXJXFMHBRXLEI-NRFANRHFSA-N 414.977 4.913 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 224312788 YBTYOHUTAZBFEE-HXUWFJFHSA-N 418.990 4.766 0 40 HJAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(OC)cc1 224596480 ZKFZSLIMBVZYAO-UHFFFAOYSA-N 405.494 4.645 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 224694680 AWQHNORTQAIEMU-FQEVSTJZSA-N 424.585 4.615 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 225036976 NQOLKNHVCSFSFQ-YADHBBJMSA-N 424.585 4.794 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 225131901 KEWFVVJAQRYLSZ-DLBZAZTESA-N 418.940 4.662 0 40 HJAB COC(=O)c1ccc([C@@H]2Nc3c(ccc(C(=O)OC)c3C)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 408621385 LXHLZRVWGSNMFG-FIFDKROGSA-N 405.494 4.865 0 40 HJAB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3c[nH]c4ccccc34)C2=O)c1 409163642 VKTIEZGCSNVMOL-GIJQJNRQSA-N 423.519 4.565 0 40 HJAB CC(=O)Nc1ccccc1SCC(=O)Nc1c(C)cc(Br)cc1C 409181089 VYVKMFAOUARRKU-UHFFFAOYSA-N 407.333 4.755 0 40 HJAB C[C@H](N[C@H]1COc2cc(F)cc(F)c21)c1cccc(OCc2cn3ccccc3n2)c1 680354364 CFOTVNIKIQVBBG-BTYIYWSLSA-N 421.447 4.976 0 40 HJAB CN(Cc1cccc(Cl)c1)C(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1 1628497801 CAGBRSCTPYWYHP-UHFFFAOYSA-N 409.795 4.901 0 40 HJAB COC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)c2ccc(Cl)cc2)c1C 628443 NDBZTXKMHNFHQK-UHFFFAOYSA-N 413.882 4.980 0 40 HJAB O=C(Nc1ccccc1N1C(=O)c2ccccc2C1=O)c1cc(F)c(F)cc1Cl 997788 NHLKJMKGEMJCST-UHFFFAOYSA-N 412.779 4.671 0 40 HJAB Cc1ccccc1NC(=S)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 1349358 IUEOSNFQOOJSNT-UHFFFAOYSA-N 412.559 4.777 0 40 HJAB O=c1c2ccccc2ncn1CCCCn1c(Cc2ccccc2)nc2ccccc21 2086887 ZHSJUHARRYPNDM-UHFFFAOYSA-N 408.505 4.817 0 40 HJAB CCn1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c2ccccc21 2163728 HOVCSQVITOIGPO-UDWIEESQSA-N 419.506 4.645 0 40 HJAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Br)cc1 2388815 XPCMLOKOPQEVDL-KOSHJBKYSA-N 412.264 4.536 0 40 HJAB O=C(Nc1ccc2ccccc2c1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 2652874 VNLJDFLNOWZCGL-UHFFFAOYSA-N 402.475 4.893 0 40 HJAB O=C(NCCSc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 3132990 FWAVIUVUVTZVGW-UHFFFAOYSA-N 404.251 4.990 0 40 HJAB COc1ccc(C(=O)[C@@H](C)Oc2ccc(Br)cc2Br)cc1 3441108 FJFAZIUSZUYNNW-SNVBAGLBSA-N 414.093 4.870 0 40 HJAB C[C@H]1CCc2sc(NC(=O)c3ccc(Cc4ccccc4)cc3)c(C(N)=O)c2C1 4177477 UDJDNZHKKFEVEG-HNNXBMFYSA-N 404.535 4.815 0 40 HJAB C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccco1 4588342 DWAROKFVMDXGCM-AWEZNQCLSA-N 407.470 4.826 0 40 HJAB CC(C)(C)c1cc(C(=O)CN2C3=NCCN3c3ccccc32)cc(C(C)(C)C)c1O 4662658 WBYCZVUGORBLAI-UHFFFAOYSA-N 405.542 4.866 0 40 HJAB COc1ccc(C)cc1CSc1nnc(-c2cccnc2)n1Cc1ccccc1 5316408 YMKVWGNUOQSJRV-UHFFFAOYSA-N 402.523 4.998 0 40 HJAB C[C@H]1CN(C(=O)Nc2cccc(Cl)c2)CCN1C(=O)Nc1cccc(Cl)c1 5676448 ADPODJWQAYWXIS-ZDUSSCGKSA-N 407.301 4.764 0 40 HJAB Cc1ccc(OCC(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2O)cc1 5794524 ATMXJKOGOCJDMS-UHFFFAOYSA-N 406.935 4.544 0 40 HJAB CCOc1ccccc1NC(=O)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1 6097071 KKLNUDAJTYLMJH-OAQYLSRUSA-N 422.554 4.875 0 40 HJAB O=C(COc1ccccc1Cl)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 6217094 BOLHAYDMWCFPMT-AWEZNQCLSA-N 402.903 4.541 0 40 HJAB O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)Nc1ccccc1 6531643 CRLKWGSLJPDPEU-UHFFFAOYSA-N 418.497 4.863 0 40 HJAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(OCC)c1 6961710 KITUZDRNQIYZEB-RGVLZGJSSA-N 408.479 4.592 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 7345282 AZNFTWRIILOQEV-UHFFFAOYSA-N 420.962 4.502 0 40 HJAB CCc1ccc(-c2noc(CSc3nnc(Cc4ccccc4)n3CC)n2)cc1 7501973 RUYRTHREUDSBBR-UHFFFAOYSA-N 405.527 4.794 0 40 HJAB C[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(-n2ccnc2)cc1 7989077 MBNULLOTUCDEPM-INIZCTEOSA-N 416.506 4.677 0 40 HJAB O=C(c1cncn1-c1ccc(F)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 8279531 GVUZLWSJICXMKA-HNNXBMFYSA-N 406.486 4.641 0 40 HJAB O=C(CSc1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9048541 BUFXJMPZFHUSSJ-NRFANRHFSA-N 409.551 4.792 0 40 HJAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCC(N)=O)cc1 9095213 NHVGJMRJKUFZDN-VWLOTQADSA-N 409.489 4.564 0 40 HJAB O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCC[C@H]1c1cccs1 9218177 CSBCTGZJOLXNSX-FQEVSTJZSA-N 403.507 4.952 0 40 HJAB Cc1cc(C)nc(Nc2nc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)n[nH]2)n1 9341686 HYYXXYJJUMEHQC-UHFFFAOYSA-N 419.876 4.528 0 40 HJAB O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)Nc1ccccn1 9422528 DJXKXDNCFNARSO-UHFFFAOYSA-N 406.825 4.526 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(C(F)(F)F)n2C)c2ccccc2)c1 9545712 ZZBQFKWXCNTBRJ-INIZCTEOSA-N 420.460 4.923 0 40 HJAB O=C(c1ccc(O)cc1)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 10846023 PTJVWOBRMRMBQR-UHFFFAOYSA-N 408.445 4.703 0 40 HJAB COc1ccc(C2(O)C[C@@H]3CC[C@H](C2)N3Cc2ccc(OC(C)C)c(OC)c2)cc1 12345291 GOZPOKXFWDLVIB-KEVCNVLYSA-N 411.542 4.506 0 40 HJAB O=C(CC1(C(=O)O)CCCCC1)Nc1c(-c2ccc(F)cc2)nc2sccn12 12556546 LGLKIXMIBXPMHE-UHFFFAOYSA-N 401.463 4.566 0 40 HJAB O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN(c2ccc(F)cc2)CC1 12609133 GQRKGNMOFRYJII-UHFFFAOYSA-N 401.894 4.565 0 40 HJAB Cc1ccc(Cn2nc(C)c(C(=O)N(C)Cc3ccccc3N3CCCC3)c2C)cc1 12623737 OSKUGLZKOXLGPD-UHFFFAOYSA-N 416.569 4.729 0 40 HJAB CC[C@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccc(Br)cc1 12900490 BNQAPHGGLDHAFG-KRWDZBQOSA-N 401.308 4.656 0 40 HJAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1Cl 13683376 UZTULGXSVWLLLY-UHFFFAOYSA-N 406.916 4.763 0 40 HJAB CCn1c(-c2ccco2)nn(CN2CCC[C@H]2c2cc(OC)ccc2OC)c1=S 14185885 VLNNYRSRXCLPCS-KRWDZBQOSA-N 414.531 4.506 0 40 HJAB O=C(N[C@H](Nc1ccccc1Br)C(=O)c1cccs1)c1ccccc1 16713526 SEXMEPJLEZCSOU-SFHVURJKSA-N 415.312 4.562 0 40 HJAB COP(=O)(OC)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccc(F)cc1 16750890 SUIVYHFAMCGJQS-UHFFFAOYSA-N 410.769 4.857 0 40 HJAB Fc1cccc(Cl)c1CN1CCN(Cc2nc(-c3ccccc3Cl)no2)CC1 22756261 MWTRGMXBQSJIPO-UHFFFAOYSA-N 421.303 4.500 0 40 HJAB O=C(Cc1ccc(Cl)cc1)NC[C@H](c1ccsc1)N1CCc2ccccc2C1 22766023 VAPLPJYMIYOKKA-JOCHJYFZSA-N 410.970 4.860 0 40 HJAB Cc1ccccc1C(=O)N1CCC(C(=O)N[C@@H](C)c2cccc3ccccc23)CC1 23433645 FUVWYJYWIRXBQV-IBGZPJMESA-N 400.522 4.878 0 40 HJAB CCOc1c(Br)cc(F)cc1NC(=O)Cc1c(F)cccc1Cl 23759410 QHAUUQLMEFWCQT-UHFFFAOYSA-N 404.638 4.961 0 40 HJAB CC(C)(C)c1ccc([C@@H](CNC(=O)COc2ccccc2Cl)N2CCCC2)cc1 28288704 XZGONZMFIOCOFD-OAQYLSRUSA-N 414.977 4.970 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4ccc(Cl)cc4)nn32)cc1 32072164 LBHPIBCGXILGKG-GOSISDBHSA-N 422.872 4.886 0 40 HJAB C[C@@H](NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccc(F)cc1 32578759 MLIMFPDRUDCVHM-MRXNPFEDSA-N 417.440 4.799 0 40 HJAB COc1cccc(Cn2nc(C)c(NC(=O)c3cccc(Br)c3)c2C)c1 32610376 ZYOQJKGKHVULCT-UHFFFAOYSA-N 414.303 4.572 0 40 HJAB O=C(Nc1cccc(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c1)NC1CC1 32914440 VMNGLZCPOSWSRJ-UHFFFAOYSA-N 420.513 4.742 0 40 HJAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1c2cccc3cccc(c23)S1(=O)=O 33739714 WLTDZGLLOXZTCX-LLVKDONJSA-N 421.305 4.683 0 40 HJAB CC(=O)Nc1sc(NC(=O)COc2ccc(C)c(C)c2)nc1-c1ccc(C)cc1 35671526 PIOIXODBPSICFV-UHFFFAOYSA-N 409.511 4.711 0 40 HJAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 40104328 LRHUIFXZKAXWQC-UHFFFAOYSA-N 410.470 4.553 0 40 HJAB CCCOc1ccccc1NC(=O)c1nn(-c2ccccc2F)cc1Br 40114833 GGPBIZQVUMBDBO-UHFFFAOYSA-N 418.266 4.815 0 40 HJAB NC(=O)Cc1ccccc1-c1nc2cc(-c3ccccc3)cc(Br)c2o1 41127412 MCZCGNVYTXJXOI-UHFFFAOYSA-N 407.267 4.952 0 40 HJAB CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(C)cc2C)C1 44803822 NAPYSGGLXQNYSF-LJQANCHMSA-N 418.541 4.891 0 40 HJAB O=C(c1ccc(COc2ccccc2F)o1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 47073717 DCOTUULFSUKDDB-LJQANCHMSA-N 405.429 4.851 0 40 HJAB COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ncc(-c2ccccc2)s1 48340791 KTVUQBOGHICRGJ-UHFFFAOYSA-N 410.495 4.819 0 40 HJAB COc1ccccc1-c1c(C)oc2c3c(ccc2c1=O)OCN(Cc1ccncc1)C3 54313281 VQIRTRNOIVMFOG-UHFFFAOYSA-N 414.461 4.524 0 40 HJAB biogenic COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc1F 67296862 URGKDRUJBUAWTQ-RWEWTDSWSA-N 403.413 4.769 0 40 HJAB Cc1c(F)cccc1NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 71326047 KDRPHZMZSBOGPY-UHFFFAOYSA-N 421.563 4.508 0 40 HJAB CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1cccc(C(C)C)c1 71327918 YGJYUFPVPLUSLI-UHFFFAOYSA-N 417.553 4.986 0 40 HJAB Cc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 71768992 RMTRMIWYQXQJGQ-UHFFFAOYSA-N 409.917 4.579 0 40 HJAB Cn1cnc2cc(C(=O)N3CCC[C@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc21 72356477 NTFKYJQXOGOXNG-IBGZPJMESA-N 414.484 4.794 0 40 HJAB COc1cccc(CN2CC[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1 72369962 BMYHYRNBTJVJKR-MRXNPFEDSA-N 403.404 4.754 0 40 HJAB CC(C)(CO)[C@H](CNC(=O)c1cccc(OCc2cccs2)c1)c1ccccc1 89761824 YPUFJQANYWIEFN-JOCHJYFZSA-N 409.551 4.859 0 40 HJAB O=C(NCCc1ccco1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344057 QMKBDGWDXRRKEI-QHCPKHFHSA-N 420.553 4.823 0 40 HJAB CC(C)c1nc2ccc(NC(=O)c3cccc(N4C(=O)C[C@H](C)C4=O)c3)cc2s1 100772195 RYSORSOVBYCXND-ZDUSSCGKSA-N 407.495 4.571 0 40 HJAB COC(=O)c1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 102200216 PLBFMHWAYSQBIS-RCRDTURJSA-N 406.320 4.536 0 40 HJAB COc1cc(N2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)cc(OC)c1OC 102732474 YNUVYSOFAMSERQ-UHFFFAOYSA-N 423.494 4.602 0 40 HJAB O=C(O)c1ccc(NCCC2=CCCCC2)c(S(=O)(=O)NC2CCCCCC2)c1 217450887 PPPZDEJLTKLMIP-UHFFFAOYSA-N 420.575 4.688 0 40 HJAB COc1ccc(CN(C)C(=O)COc2ccc(C(C)C)cc2Br)cc1 218868627 STPWUSMKKPAZDJ-UHFFFAOYSA-N 406.320 4.619 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 222623670 WEEXQZLIKPUSHI-GCJKJVERSA-N 414.977 4.647 0 40 HJAB CCOc1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 222879250 BXWWBCRTELAMAP-JCMHNJIXSA-N 420.534 4.543 0 40 HJAB CCN(c1ccc(C(=O)Nc2c(C)cccc2C)cc1)S(=O)(=O)c1ccccc1 224354032 FHLBELKHMHEFAC-UHFFFAOYSA-N 408.523 4.771 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCCC1 224840977 JYDBOQDGBKXEJD-QFIPXVFZSA-N 400.950 4.800 0 40 HJAB CCn1c(=O)sc2cc(NC(=O)CSCc3c(F)cccc3Cl)ccc21 225077941 PCRBWMPMUDITTD-UHFFFAOYSA-N 410.923 4.747 0 40 HJAB CC[C@H](NC(=S)Nc1cc(C(=O)OC)ccc1Cl)c1ccc(OC)c(OC)c1 225719966 UMUUGEKKTBCXCE-HNNXBMFYSA-N 422.934 4.582 0 40 HJAB O=C(c1ccc(-c2ccsc2)cc1)N1CCC(Oc2cccc3cccnc23)CC1 238813306 AVRLHVRYZDBCMK-UHFFFAOYSA-N 414.530 5.647 0 40 HJAB Cc1cc(Cc2ccccc2)cc([C@@H]2CN(Cc3c(C)nn(C(C)C)c3C)CCO2)n1 257223401 DXEHPFCCHWIDJT-SANMLTNESA-N 418.585 4.949 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(Cc4cccnc4)c3C)N21 260759077 DZBPUGZUUOGGIB-PTUXOGIPSA-N 417.582 4.923 0 40 HJAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 408566256 NJTSCYPBWDOFGX-IURSYISVSA-N 406.526 4.545 0 40 HJAB CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O 408667146 QHXLYGJAXKKPTQ-IBGZPJMESA-N 401.462 4.711 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)Nc4cccc(Cl)c4C)cc3)C(=O)[C@@H]21 408672148 LYBQVOZLKIYWRX-APMMZXSISA-N 420.896 4.602 0 40 HJAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3Br)n2C)cc1 409206880 MVDAYFOZFZSPIT-VZCXRCSSSA-N 417.328 4.574 0 40 HJAB CCn1c(SCc2ccc(F)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 409330796 LZUIHJYLAOHTEM-ZDUSSCGKSA-N 418.925 4.874 0 40 HJAB O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 409410754 PJMYXEULQBRNCO-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB COC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)coc2c1 950716 XMNGKWSYEAYTHY-ZDUSSCGKSA-N 402.830 4.796 0 40 HJAB COc1ccc(C(=O)Oc2ccc3oc(-c4ccc(OC)cc4)cc(=O)c3c2)cc1 955671 KZLOABQGIKPPAJ-UHFFFAOYSA-N 402.402 4.696 0 40 HJAB biogenic CCOC(=O)c1nnc(-c2ccccc2)nc1Sc1ccc(Br)cc1 1392070 OPEHMLVWMOYUDA-UHFFFAOYSA-N 416.300 4.629 0 40 HJAB O=C(NCc1ccccc1)c1cc(Cl)cn(Cc2c(Cl)cccc2Cl)c1=O 1400045 INPMTYBPFXABRH-UHFFFAOYSA-N 421.711 4.787 0 40 HJAB COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2Cc1ccccc1OC 2690302 GNXKJTFYMHRKTG-UHFFFAOYSA-N 413.473 4.606 0 40 HJAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1 3167085 LDBBLQFWNILIPB-UHFFFAOYSA-N 408.951 4.711 0 40 HJAB C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)C(=O)c1ccccc1 3376225 HSSGSUOZYDUZBF-HUUCEWRRSA-N 414.962 4.907 0 40 HJAB CCCCO[C@@H]1C[C@H](c2ccc(OCc3ccc(OC)cc3)c(OC)c2)N(C)O1 4002173 KHROVKCHSKLFGG-OFNKIYASSA-N 401.503 4.734 0 40 HJAB O=C(COc1ccc(Cl)cc1)Nc1nnc(SCc2cccc(F)c2)s1 4078281 RGAJIAWIZTZXQA-UHFFFAOYSA-N 409.895 4.640 0 40 HJAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)CC1 4109491 MRYICDIZIHHWFS-UHFFFAOYSA-N 420.340 4.694 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)n1C[C@H]1CCCO1 4355106 WIJJDSGKZPZLCW-MRXNPFEDSA-N 417.918 4.654 0 40 HJAB COc1ccc2[nH]c(C)c(CCNC(=S)Nc3ccc(Br)cc3)c2c1 4905553 PMRMVSFCNVDTQG-UHFFFAOYSA-N 418.360 4.777 0 40 HJAB O=C(CSc1[nH]c(-c2cccc(F)c2)nc1-c1ccccc1)NCc1ccco1 4927692 PXJSRQVKNOOJCL-UHFFFAOYSA-N 407.470 4.884 0 40 HJAB C[C@]12C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]1ON(c1ccccc1)[C@@H]2c1ccccc1 4957695 JMURSCATIIKWMK-PQNGQFLHSA-N 418.880 4.781 0 40 HJAB Cc1ccc(NC(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)c(C)c1 5351989 LDBGOOZMLXJQFA-UHFFFAOYSA-N 409.536 4.750 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccn2)N1CCc1ccccc1 5489934 ZGRIADOTMIYERK-NRFANRHFSA-N 416.864 4.629 0 40 HJAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 6414854 DSKWRBCBNYTZJV-FXAWDEMLSA-N 406.555 4.721 0 40 HJAB COCCCn1c(C)cc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1C 6549789 RRBHQBDSWLPOIL-UHFFFAOYSA-N 424.570 4.575 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 6627119 KCQFWAFPROBBGY-UHFFFAOYSA-N 402.922 4.626 0 40 HJAB CC(C)CCN1C(=O)N(C2CCCCC2)[C@@H](N(O)C(=O)NC2CCCCC2)C1(C)C 6663974 PRHILGZPAVBMHH-FQEVSTJZSA-N 422.614 4.941 0 40 HJAB CC1(C)CC(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)CC(C)(C)N1 6758384 MPWCTXZNKGHONY-UHFFFAOYSA-N 418.537 4.921 0 40 HJAB biogenic O=C(NCc1ccccc1CN1CCCC1)c1ccc(COc2ccccc2)cc1 8342065 OOZMYKAOTDALDR-UHFFFAOYSA-N 400.522 4.791 0 40 HJAB Cc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1 8851956 BLTXTLHNRBKMEZ-UHFFFAOYSA-N 415.515 4.503 0 40 HJAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(C(=O)OC)cc1 8870919 PJNDQWISWCLSNW-UHFFFAOYSA-N 418.371 4.961 0 40 HJAB CCOc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 9134974 UUMCGIVPAUPNIM-UHFFFAOYSA-N 402.450 4.933 0 40 HJAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3OC)C3CCCCC3)cc2c1 9308056 JFDFFLWKBWZAKI-UHFFFAOYSA-N 420.509 4.520 0 40 HJAB COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCCC2)cc1 9470678 KQASWTQVQXPLCD-UHFFFAOYSA-N 404.510 4.820 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CNC(=O)COc1ccc(Nc2ccccc2)cc1 9716741 VEWOEGJXGVMONZ-UHFFFAOYSA-N 423.900 4.526 0 40 HJAB O=C1[C@@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 11616665 OLNTVTPDXPETLC-RJGXRXQPSA-N 409.432 4.888 0 40 HJAB in-vitro Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 12293618 PDVZPDYYEXQMRW-BJKOFHAPSA-N 403.522 4.532 0 40 HJAB COc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)ccc1OC(C)C 12746263 OSENPJLHUVYYDX-LJQANCHMSA-N 411.498 4.621 0 40 HJAB Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2ccccc2)nnc1-c1cccnc1 12761173 JZHXQFVWDWVQJK-KRWDZBQOSA-N 415.522 4.757 0 40 HJAB Cc1cccc(C)c1OCC(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 12805674 VDQGZXJZZWEOPG-UHFFFAOYSA-N 403.404 4.585 0 40 HJAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 12850844 JPGANUKNEKJUMU-QGZVFWFLSA-N 403.478 4.821 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cn3c(C)cc4ccccc43)n2)cc1 15585717 VBGKMAUQAIYBRZ-UHFFFAOYSA-N 404.495 4.670 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 15781311 GWPFUPLGMPFFQS-UHFFFAOYSA-N 416.477 4.549 0 40 HJAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 17089005 NULSUVIRGUQWHY-KRWDZBQOSA-N 411.571 4.979 0 40 HJAB COc1ccc(-c2nn(C)c(NC(=O)c3oc4c(c3C)[C@H](O)CC(C)(C)C4)c2C)cc1 19565254 TTZPLYZDFNSZKR-QGZVFWFLSA-N 423.513 4.564 0 40 HJAB CCc1cc(CN2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 19880649 IQHWJLSXCFBSCV-UHFFFAOYSA-N 419.594 4.881 0 40 HJAB CCOc1ccc(CCn2c(SC)nnc2-c2ccc(OC)cc2)cc1OCC 21724818 NQWKEPBQLWCIBL-UHFFFAOYSA-N 413.543 4.716 0 40 HJAB CC(C)(C)c1ccc(CS[C@H]2CCCC[C@@H]2OC(=O)CCN2CCOCC2)cc1 22002188 MRDDPWUIISWEEG-VXKWHMMOSA-N 419.631 4.794 0 40 HJAB Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)Nc1ccccc1 22529599 HIGNFLPJCHFYCB-JOCHJYFZSA-N 420.534 4.603 0 40 HJAB COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccc(C)cc3)c2c1 22574202 KAGMYSWSSKXSEA-UHFFFAOYSA-N 418.518 4.997 0 40 HJAB Cc1cc(C)cc(Nc2nc(Nc3ccc(C)c(Cl)c3)nc(N3CCOCC3)n2)c1 27546381 ALSCXSDNCSHSAD-UHFFFAOYSA-N 424.936 4.774 0 40 HJAB Cc1cccc(CC(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@@H]2c2ccc(F)cc2)c1 28047960 UAEHIYYHKYAVBX-DEOSSOPVSA-N 422.887 4.900 0 40 HJAB c1ccc2c(CN3CCN(c4ncnc5sc6c(c45)CCC6)CC3)csc2c1 28620173 TYPFOONJUAGWMP-UHFFFAOYSA-N 406.580 4.717 0 40 HJAB C[C@H](Nc1ccc(Oc2ccccc2Cl)cc1)C(=O)N1CC(=O)Nc2ccccc21 28626139 PXZPTPMJLWKJQV-HNNXBMFYSA-N 421.884 4.918 0 40 HJAB CC(C)c1ccc(-c2nc(CN3CCN(C(=O)c4ccccc4)CC3)cs2)cc1 29630189 HUVNHULYBOEJOM-UHFFFAOYSA-N 405.567 4.892 0 40 HJAB O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 32753502 QQPOVLZGWZTQKY-DEOSSOPVSA-N 417.480 4.643 0 40 HJAB CC(=O)Nc1cccc(NC(=O)COc2ccccc2-c2nc3ccccc3s2)c1 32958146 UKRHXNRPLNTLGD-UHFFFAOYSA-N 417.490 4.939 0 40 HJAB Cc1ccc(-n2ccc(=O)c(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)cc1C 33300403 OOPRGZVETRGZSK-UHFFFAOYSA-N 412.371 4.585 0 40 HJAB COc1ccccc1[C@@H](CNC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCCC1 36755307 PFQFOABMYIFFNT-JOCHJYFZSA-N 410.533 4.599 0 40 HJAB CCC[C@@H](C(=O)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1 40060416 URVARCLTDRVSPE-LJQANCHMSA-N 406.448 4.521 0 40 HJAB COc1ccc(/C=C/C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c(OC)c1 40116323 ZQGVMJANTIGUQS-XBXARRHUSA-N 406.457 4.653 0 40 HJAB Cc1nc(COc2ccc(C(=O)N[C@H](C)Cc3c(F)cccc3F)cc2)cs1 40155931 AJHWCBDPWZEUIS-CYBMUJFWSA-N 402.466 4.670 0 40 HJAB Cc1cc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)ccc1Br 51364563 UIROMKJSLVLURS-QGZVFWFLSA-N 423.310 4.916 0 40 HJAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 58167066 UOMMZNBYIMIVAN-OFNKIYASSA-N 406.570 4.752 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1cnc2scc(-c3ccccc3Cl)n2c1=O 64787997 QQUJFSLRYXATAS-UHFFFAOYSA-N 417.824 4.607 0 40 HJAB CC(C)n1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccccc3)ccc21 65322282 IVQVSVWSLDXRSF-UHFFFAOYSA-N 406.530 4.621 0 40 HJAB CCc1ccccc1Nc1nc(C)c(C(=O)NCc2cc(OC)ccc2OC)s1 71326538 MXCCKMYOUPAQQP-UHFFFAOYSA-N 411.527 4.705 0 40 HJAB Cc1ccc([C@H](CNc2ncnc3scc(-c4ccccc4)c23)N2CCOCC2)o1 71873524 JHPAIQQRUOFCNN-IBGZPJMESA-N 420.538 4.745 0 40 HJAB O=C(CCNc1ncnc2c1oc1ccccc12)Nc1ccc(Br)cc1 71964543 AJKHLQMAVDXLOK-UHFFFAOYSA-N 411.259 4.579 0 40 HJAB O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc2c(c1)OCO2)N1CCCCC1 72328465 YXLGOPDYXBWJGA-UHFFFAOYSA-N 423.900 4.855 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1cc(=O)c2ccccc2o1 90593205 LLODNVWIUHVJAJ-UHFFFAOYSA-N 410.882 4.808 0 40 HJAB Cc1nnc(-c2cccc(C(=O)Nc3cccc(CCN4CCC(C)CC4)c3)c2)o1 95455970 BRJXNTVBRPNFCP-UHFFFAOYSA-N 404.514 4.572 0 40 HJAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc2c(ccn2CC(C)C)c1 96231656 ZTIUAZLCYXEEBU-UHFFFAOYSA-N 402.498 4.849 0 40 HJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 96237065 XWDKLDAGGPSHHL-AWEZNQCLSA-N 407.948 4.981 0 40 HJAB CCOc1c(Cl)cc(/C=C2/N=C(c3cccc(OC(F)F)c3)OC2=O)cc1OC 97987488 BTVDNKJPODJGDB-OVCLIPMQSA-N 423.799 4.693 0 40 HJAB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 102702825 NCMXLZBQFZUUHH-BHIFYINESA-N 418.880 4.700 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1cccnc1 222591027 CVGLJZPKXGQJAF-WQTXXOFMSA-N 403.555 4.533 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(F)cc2)c1 224441517 YZCVIUTWNPJLHX-QAIWHXNASA-N 408.498 4.844 0 40 HJAB CSc1ccc(S(=O)(=O)N(C)c2ccc(Br)c(Cl)c2)cc1 224990497 PUYHWGJPORVJKU-UHFFFAOYSA-N 406.754 4.650 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(Br)cc2)c(I)c1 225009966 IIDFZVDUGUMJAU-UHFFFAOYSA-N 416.056 4.614 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1C 225041041 IHFWBWDPSSIJCG-DHIUTWEWSA-N 419.598 4.512 0 40 HJAB Cc1cc(F)ccc1S(=O)(=O)NCCSCc1ccc(Cl)cc1Cl 225592857 WJOVRYSZVKITPY-UHFFFAOYSA-N 408.347 4.653 0 40 HJAB COC(=O)c1ccc(C)c(NC(=S)NCCCSCc2ccc(F)cc2)c1 225615250 SWJCSVNURSLBRI-UHFFFAOYSA-N 406.548 4.531 0 40 HJAB CC(C)Oc1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)cc1 225833668 DVMQSPKQMVHPPV-UHFFFAOYSA-N 402.907 4.664 0 40 HJAB O=C(NC1(c2cccs2)CCOCC1)c1cc(Br)ccc1Cl 390829253 XUJKUONXZSUNMV-UHFFFAOYSA-N 400.725 4.600 0 40 HJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCC2)c1 408552166 OVDGAPRIPQBHQO-UHFFFAOYSA-N 420.962 4.820 0 40 HJAB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cc2c(ccc3ccccc32)o1 408629992 LUIJFNZQKVQKGC-QGZVFWFLSA-N 414.461 4.747 0 40 HJAB O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1CC(=O)N(c1ccccc1)c1ccc2ccccc2c1 408673758 UXWDBUHBVZPYJO-LDTXMFMOSA-N 424.500 4.536 0 40 HJAB Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 409380281 BBDCVORERNACHA-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB O=C(Nc1ccc(-c2nc3ccccc3s2)cn1)c1cc(OCC(F)F)ccn1 539789522 SGFORSYGSHVJGW-UHFFFAOYSA-N 412.421 4.650 0 40 HJAB CC[C@H](NC(=O)Nc1nnn(Cc2ccccc2F)c1C)c1cccc(Cl)c1 574706235 JXOYTZXZCWGBBH-SFHVURJKSA-N 401.873 4.700 0 40 HJAB COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@@H](C(=O)OC)[C@H]1c1ccc(F)cc1 626786 NBRAHZGCBSZXDC-NHCUHLMSSA-N 409.457 4.506 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(Cl)cc1 976819 MUVMJXJUZYHFKO-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB CCOc1ccc(OCc2ccc(C(=O)N[C@@H](C)c3cn(CC)nc3C)cc2)cc1 1018975 PBXLDWVWXZQLPJ-KRWDZBQOSA-N 407.514 4.680 0 40 HJAB COC(=O)c1c(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc(C(C)=O)c1C 1107931 BJNZYNXKIRYYLW-CABZTGNLSA-N 404.315 4.575 0 40 HJAB O=C(COc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O)N1CCCCCC1 1994355 RZLGCSGGFHNVEO-UHFFFAOYSA-N 411.885 4.895 0 40 HJAB CCCCCCNC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 2292811 MMOLAUFTPCOAGV-UHFFFAOYSA-N 405.477 4.605 0 40 HJAB Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)oc2ccc(Br)cc12 2644527 YTQSIKZOLVUTKH-UHFFFAOYSA-N 415.287 4.593 0 40 HJAB Cc1ccc(C)c(Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc(F)ccc32)c1 2691140 MKULYVMERNUSNV-UHFFFAOYSA-N 421.493 4.639 0 40 HJAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1Cl)c1cccs1 3169788 DROWQMPPOSUTDE-UHFFFAOYSA-N 416.915 4.889 0 40 HJAB Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc(F)cc1 3220619 DMBNDOXRYHLDQV-UHFFFAOYSA-N 408.458 4.622 0 40 HJAB COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 4306409 PTNBXHSCYUAXFG-RXVVDRJESA-N 408.841 4.962 0 40 HJAB CCOc1ccc(-c2nnc(N(CCOC)C(=O)c3cccc(Cl)c3)s2)cc1 4982646 GUBQMMLRDALVBI-UHFFFAOYSA-N 417.918 4.550 0 40 HJAB COc1ccc2sc(N(CCN(C)C)C(=O)c3cccc4ccccc34)nc2c1 5121528 BCNYHLJYBZYXQF-UHFFFAOYSA-N 405.523 4.667 0 40 HJAB COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3ccccc3)cc2O)cc1 5562894 WRMMNPNZPPOAGF-UHFFFAOYSA-N 415.449 4.811 0 40 HJAB biogenic COc1ccc(CNC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1 5680865 PJLLGEHHKWORLL-UHFFFAOYSA-N 407.322 4.984 0 40 HJAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 6169083 LBQJAZXFVMETGV-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB CCOc1cc(C(=O)N(C)Cc2nc3ccccc3s2)cc(OCC)c1OCC 6789744 DSGYBNFNQQWMMT-UHFFFAOYSA-N 414.527 4.765 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 7638098 WNXBLPKUOGXPSE-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB COc1ccc2cc([C@H](C)C(=O)NCC(=O)Nc3cccc(Cl)c3C)ccc2c1 7990637 BMHOKOSXQMUODA-AWEZNQCLSA-N 410.901 4.669 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1[C@H](C)Oc1ccccc1 8090242 UIEFBTSFUJXIKY-KRWDZBQOSA-N 410.543 4.786 0 40 HJAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1 8499810 LIPPEJNUJSQNAS-UHFFFAOYSA-N 408.523 4.539 0 40 HJAB Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(F)c3)cs2)cc1 8852878 ASENMPLRXGYBGD-UHFFFAOYSA-N 415.515 4.503 0 40 HJAB COc1cccc(-c2cc(OC(=O)COc3ccccc3C)cc3sc(=O)oc23)c1 9430774 LXJPXHOLOJEWTH-UHFFFAOYSA-N 422.458 4.823 0 40 HJAB O=C(c1ccc(COc2ccccc2Br)o1)N1CCc2ccccc2C1 9659546 WSPQRFRWNCFROM-UHFFFAOYSA-N 412.283 4.820 0 40 HJAB CC(=O)N1C[C@H](C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)Oc2ccccc21 9670595 VZKHGEUWELQBLX-JOCHJYFZSA-N 422.868 4.885 0 40 HJAB COc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc(C)c2)cc1 10060296 CKBIRYADFKQQJG-DNQXCXABSA-N 424.504 4.976 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 10315256 FPUUAMBXQSRJGG-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 10320999 CDWVWVPFKLAMHT-FQEVSTJZSA-N 424.570 4.722 0 40 HJAB Cc1onc(C(C)C)c1C(=O)N1CCC(c2nc3ccccn3c2NC(C)(C)C)CC1 12087469 PDKQGIFGROLJPZ-UHFFFAOYSA-N 423.561 4.984 0 40 HJAB CN1CCN(c2ccc(NC(=O)c3ccc(CSc4ccccc4)o3)cc2)CC1 12527468 UKSKUXUSCBVZDC-UHFFFAOYSA-N 407.539 4.576 0 40 HJAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3c4ccccc4C[C@H]3C)o2)cc1 12803544 ALCDGDXKAIURJU-HUUCEWRRSA-N 409.511 4.594 0 40 HJAB COc1ccccc1[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 12891283 UDOJVDYYJWRAHT-ROUUACIJSA-N 402.494 4.604 0 40 HJAB COc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1OC(F)F 12923579 KDORICUELNZLRV-UHFFFAOYSA-N 407.344 4.860 0 40 HJAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(Br)cc2)c(C)c1 13668340 PZMXZXAIUCFEDC-UHFFFAOYSA-N 422.344 4.806 0 40 HJAB CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 13673842 GTWXLJKQLRYAAC-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB CC(C)(C)c1ccc(-c2nn3c(-c4cncc(Br)c4)nnc3s2)cc1 13690350 VSAADJRRLGMJTQ-UHFFFAOYSA-N 414.332 4.975 0 40 HJAB CC(C)c1cc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccc(O)cc32)cc(C(C)C)c1O 15414530 TXQSZBSNCHVKCA-SFTDATJTSA-N 408.498 4.514 0 40 HJAB Cc1ccc(Cl)c(OCc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)c1 16291150 AUXGMBJYJCVHTF-UHFFFAOYSA-N 405.310 4.830 0 40 HJAB COc1ccc(-c2nc(NC(=O)c3ccccc3OC[C@@H]3CCCO3)sc2C)cc1 16468555 GFTGCROGRATIDI-SFHVURJKSA-N 424.522 4.937 0 40 HJAB CC(C)c1ccc(OCC(=O)Nc2ccc(I)cc2F)cc1 17089447 TUKXEQHLZGTNIN-UHFFFAOYSA-N 413.230 4.571 0 40 HJAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)CCC3CCCC3)CC1)N2 19128617 HTQOLYLMOOLUKY-ZWKOTPCHSA-N 412.500 4.688 0 40 HJAB O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(c2cccc(Cl)c2)CC1 19891024 HXUVLQQXZJASQL-XMMPIXPASA-N 422.956 4.569 0 40 HJAB COc1cc(CNCCc2ccccc2F)ccc1OCc1ccc(Cl)nc1 19922765 DTYPZBRQTBSMGX-UHFFFAOYSA-N 400.881 4.794 0 40 HJAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccc(Cl)cc1Cl 19937621 IMPHFKJEKANOMP-UHFFFAOYSA-N 408.672 4.578 0 40 HJAB COCCCNc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 20328588 ZQVBPKGJKNCXNK-UHFFFAOYSA-N 411.575 4.557 0 40 HJAB Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(F)cc2)C4)c1 20671396 CMTNQJOSYPEVOR-QGZVFWFLSA-N 418.497 4.777 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1ccc(N(C)C)cc1 23731977 XUTPPJORPBMSNM-UHFFFAOYSA-N 410.949 4.540 0 40 HJAB CSc1nc(SC(=O)Cc2nccs2)c2sc3c(c2n1)COC(C)(C)C3 28286460 ZBCQCUXLOILUOP-UHFFFAOYSA-N 423.610 4.582 0 40 HJAB COc1ccccc1NC(=O)N(Cc1nc2n(n1)CCCCC2)c1ccc(C)cc1 28527892 TWGMUTKJUFHQPQ-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB COc1ccccc1NC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1 32578521 HAQYAQXHDRWYFJ-UHFFFAOYSA-N 401.422 4.577 0 40 HJAB Cc1ccc(-c2noc(COc3ccccc3C(=O)NCc3ccc(F)cc3)n2)cc1 32579129 FNFGGIVVTLZDGV-UHFFFAOYSA-N 417.440 4.693 0 40 HJAB Cc1cc(C)nc(SCC(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)n1 32904424 UQXRILKCFZRGLW-QFIPXVFZSA-N 403.507 4.838 0 40 HJAB Cc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2cccc(F)c2)n1 33325016 UDHWEDHMODTXPJ-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB COc1ccc(-n2nc(C)c3c(C(=O)Nc4ccc(C)c(C)c4)cc(C)nc32)cc1 36616497 WTYBIVDZKHFSMG-UHFFFAOYSA-N 400.482 4.915 0 40 HJAB CCc1ccccc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 38833666 HTYMIFBMGUIKQF-UHFFFAOYSA-N 401.348 4.862 0 40 HJAB COc1ccccc1CNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38848836 MKAMAVISMNNWRU-UHFFFAOYSA-N 407.341 4.530 0 40 HJAB COc1ccc(CNC(=O)CCCSc2ccc(Cl)cc2)c(OC)c1OC 45202834 AHVCCEAAIGCRQE-UHFFFAOYSA-N 409.935 4.555 0 40 HJAB CC(=O)c1cc(CCC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)oc1C 58055544 AXSCIXPJXOEQPE-ROUUACIJSA-N 410.558 4.518 0 40 HJAB COc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc23)cc1Cl 64471851 AVNKGBRINWZXQP-UHFFFAOYSA-N 413.930 4.829 0 40 HJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)CCc2ccccc2)n1 72354698 AVHPOQHYQQHXSY-HXUWFJFHSA-N 406.917 4.676 0 40 HJAB C[C@@H](NC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1cccc(C(F)(F)F)c1 72427650 MXZCCGXANBRYJT-GFCCVEGCSA-N 418.371 4.623 0 40 HJAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 79024809 WRUCMRQUIDWXQE-RYUDHWBXSA-N 406.269 4.688 0 40 HJAB CCN(CC(=O)Nc1cccc(OC)c1)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 79059158 IGZBCADSJSFQLR-UHFFFAOYSA-N 413.905 4.773 0 40 HJAB CC(C)Sc1ccc(CC(=O)N2CCC(CSC3=NCCS3)CC2)cc1 90608343 NWGDVWRMTSSIPY-UHFFFAOYSA-N 408.658 4.804 0 40 HJAB COc1cc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)cc(OC)c1OC 96194192 QBBDSTGHNZYHOQ-UHFFFAOYSA-N 422.466 4.600 0 40 HJAB O=C(NC1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1)c1ccc2[nH]ccc2c1 98212886 FBFFCGQNVSVNKJ-UHFFFAOYSA-N 419.916 4.610 0 40 HJAB CCCCc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(Cl)cc4Cl)[C@H]3C2=O)cc1 101278603 VIVPJXUFFPSJCD-MJGOQNOKSA-N 417.292 4.629 0 40 HJAB Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C(=O)OC(C)C 101875023 XEGVHWKWMUAASM-RBSFLKMASA-N 407.532 4.562 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 222535735 JRWASPRSEFHHGB-JOCHJYFZSA-N 414.977 4.913 0 40 HJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 222566553 SXKFCPQGBOALML-KRWDZBQOSA-N 414.977 4.733 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC)cc1 222769799 SMNFZPIJYIOCGU-OAHLLOKOSA-N 421.368 4.652 0 40 HJAB COc1ccc(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C 222834987 RZSXACPHUFCAFI-SFHVURJKSA-N 402.494 4.676 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 223187660 INUODQGHTHKOEU-JOCHJYFZSA-N 414.977 4.949 0 40 HJAB CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223424212 SQPGTUJAIROMAV-DEOSSOPVSA-N 420.940 4.789 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 223432534 GNVLDEGQSXGBOX-HXUWFJFHSA-N 418.940 4.744 0 40 HJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 223746754 URTXZLYEVWBDSZ-SBUREZEXSA-N 408.542 4.890 0 40 HJAB Cc1ccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 223814374 ZNZLXNFXACPCFP-NRFANRHFSA-N 406.570 4.630 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCCC1 224703479 USEAORLLVYCEPK-LJQANCHMSA-N 410.533 4.543 0 40 HJAB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(OC)c(Br)c1 224884740 RIZQEXVTEOJMHC-UHFFFAOYSA-N 412.349 4.598 0 40 HJAB Cc1cc(C)cc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 225003905 VBWGLNWZUCOZBA-QFIPXVFZSA-N 420.597 4.755 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 225091499 WGURSFCJQYGMMJ-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB Cc1ccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)C)cc1 225534662 ULSWILAQWQLZRP-INIZCTEOSA-N 421.368 4.786 0 40 HJAB CCCO[C@](C)(C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1)C1CC1 225672875 LNRVPQDYNMRIBY-DVECYGJZSA-N 402.579 4.721 0 40 HJAB O=C(COc1cccc(C(F)(F)F)c1)NCCSCc1cccc(Cl)c1 225809899 LSMFUMRFRHMWCE-UHFFFAOYSA-N 403.853 4.787 0 40 HJAB O=C(C[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 226761147 IWTRCLAAJCNBHS-FQEVSTJZSA-N 420.534 4.613 0 40 HJAB COc1c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cccc1[C@]1(OC)CCOC1 1857794463 ILJKUGLHSHWLGV-QFIPXVFZSA-N 423.506 4.634 0 40 HJAB COc1cc2cc(C)c(SCC(=O)N3c4ccccc4C[C@H]3C)nc2cc1OC 928280 WBKDUUAEQMYALX-OAHLLOKOSA-N 408.523 4.630 0 40 HJAB COc1ccc(-c2ccc(SCC(=O)Nc3ccccc3C(F)(F)F)nn2)cc1 1332253 QNYCNOBKIWEDHV-UHFFFAOYSA-N 419.428 4.902 0 40 HJAB COc1ccc(CCC(=O)N(c2nnc(-c3ccc(OC)cc3)s2)C(C)C)cc1 1345528 IWBBTTPVRXONDA-UHFFFAOYSA-N 411.527 4.597 0 40 HJAB COc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1OC 1509641 GYSGWMZOFFPJST-UHFFFAOYSA-N 419.300 4.842 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c1 2452815 WNXBALYRIFXCOR-UHFFFAOYSA-N 418.522 4.934 0 40 HJAB COc1ccc(-c2nn3cc(-c4ccc(OC)c(OC)c4)c4c3n2CCCC4)cc1 2503905 RZHDUOHKXDUKTH-UHFFFAOYSA-N 403.482 4.832 0 40 HJAB O=C(O[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1cccnc1 3271324 GBCKNRKLHMQKJZ-SFHVURJKSA-N 400.356 4.637 0 40 HJAB O=S(=O)(Nc1nc2ccccc2nc1NC1CCCC1)c1ccc2ccccc2c1 3289797 ODAFZZMIEQFXJY-UHFFFAOYSA-N 418.522 4.938 0 40 HJAB O=c1c2ccccc2nc(SC[C@@H]2CCCCO2)n1-c1ccc(OC(F)F)cc1 3359111 ITRUFKCKXFWAFA-INIZCTEOSA-N 418.465 4.648 0 40 HJAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCc3nnc(-c4cccs4)o3)c2C1 3535920 PMFUEXWBXBGGLH-CYBMUJFWSA-N 405.479 4.828 0 40 HJAB Cc1ccccc1-c1nc2s/c(=C\c3ccc(-c4ccccc4Cl)o3)c(=O)n2n1 3637133 MWXJSNYDZXSXLI-UNOMPAQXSA-N 419.893 4.588 0 40 HJAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc2ccccc12 4262982 BOETXHNJCJUPCP-JOCHJYFZSA-N 417.534 4.670 0 40 HJAB COc1cccc(CNC(=O)c2cnc3c(c(C)nn3-c3ccc(C)cc3)c2Cl)c1 5314561 RVJAQYCPZVSIQP-UHFFFAOYSA-N 420.900 4.629 0 40 HJAB COCCNc1nc(SC)nc2c1sc1nc(-c3ccco3)c3c(c12)CCC3 5478166 CSYQVQHTYVSHEF-UHFFFAOYSA-N 412.540 4.768 0 40 HJAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CCN5CCCC5)CC[C@@]43C)[C@@H]1CCC2=O 5748809 HKTXNASFTOEERZ-KHTDVAIGSA-N 413.602 4.916 0 40 HJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nnc(C3CC3)s2)cc1 6582404 MRLOWFMZOVTURH-UHFFFAOYSA-N 417.494 4.529 0 40 HJAB COc1cc([C@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1ccc(C)cc1 6678792 UIZBYQWMMGBTHK-YCRPNKLZSA-N 423.538 4.777 0 40 HJAB Cc1ccc(N2C(=O)N(Cc3cccc(Cl)c3)c3ccccc3S2(=O)=O)cc1 6918401 DUKFPMOUMLUJQX-UHFFFAOYSA-N 412.898 4.984 0 40 HJAB aggregator C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1cccc(Oc2ccccc2)c1 8748498 DOBXJSPQSUHLKU-QGZVFWFLSA-N 402.450 4.622 0 40 HJAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)[C@@H]1COc2ccccc2C1 8843828 VFNMNEJQIJRMKT-HNNXBMFYSA-N 418.440 4.943 0 40 HJAB O=C1OC(c2cccs2)=N/C1=C1/C=C(c2ccc3c(c2)OCO3)Oc2ccccc21 8995341 WCGDIPZZQPZFBM-QNGOZBTKSA-N 415.426 4.625 0 40 HJAB COc1cc2c(cc1NC(=O)CN1CCC[C@@H]1c1cccn1C)oc1ccccc12 9442041 PKXJTLCROSDNBK-HXUWFJFHSA-N 403.482 4.709 0 40 HJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc2c(c1)NC(=O)CS2 9513962 SAXCAQSMMGXRSI-UHFFFAOYSA-N 412.898 4.916 0 40 HJAB O=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)c1ccc(Cl)cc1 9568895 FQRMABVSRFELML-UHFFFAOYSA-N 417.321 4.737 0 40 HJAB COc1cc(CN(C)C(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1 9748458 OHQZNSIUDZAZNO-UHFFFAOYSA-N 418.493 4.505 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 10009640 IGVBXKFNCQNQDM-UHFFFAOYSA-N 414.552 4.696 0 40 HJAB COc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccc(C)cc4)nc3C2)cc1OC 10156581 WJDHAKSXUGQAPR-KRWDZBQOSA-N 403.482 4.767 0 40 HJAB Cc1cccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(F)cc2)c1 10220772 MXHCFIAWLZMDJK-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cccc(Cl)c1 10334928 LNAPKZHOXWSUPE-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1ccccc1C(=O)Oc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 13926363 QJROPAWVRYXQIZ-BKUYFWCQSA-N 401.393 4.698 0 40 HJAB CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Oc3cccc(Cl)c3)cc2)cc1 16726152 CREJXDVZMFFOAX-UHFFFAOYSA-N 401.871 4.733 0 40 HJAB CCC(=O)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 19498751 VGESAWWMUKYQED-QGZVFWFLSA-N 405.477 4.537 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)c1 19564222 DZRDLFYHTYMHAK-OAHLLOKOSA-N 417.431 4.539 0 40 HJAB Cc1nc([C@]2(O)CCCN(C3CCCC3)CC2)sc1COc1ccc(F)c(F)c1 19705243 RJMVGMWVBYADFM-QFIPXVFZSA-N 422.541 4.925 0 40 HJAB Cc1nc(-c2ccccc2F)sc1C(=O)Nc1cnn(Cc2cccc(F)c2)c1 19714472 YDKRZLFUGOXGOS-UHFFFAOYSA-N 410.449 4.894 0 40 HJAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1ccc2c(c1)OCO2)CO3 20403810 CXXAQKJAKQDSBM-UHFFFAOYSA-N 413.429 4.541 0 40 HJAB biogenic CCc1ccccc1N(CC(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 22274063 HVMINPMUXVTPNI-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB Cc1cc(C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)sc1C 24921677 SMVGFMSHHGLVHU-UHFFFAOYSA-N 415.559 4.586 0 40 HJAB Cc1cccc(C)c1Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 25748635 YOWBYERIHQIESO-UHFFFAOYSA-N 408.571 4.763 0 40 HJAB CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)CN(CCO)Cc2ccccc2)cc1 26780407 RXSZNNUEYOEETB-HSZRJFAPSA-N 413.602 4.635 0 40 HJAB O=C(Nc1ccc(OC[C@@H](O)COc2ccc(Cl)cc2Cl)cc1)c1ccco1 27213343 NBODJMNINAGGLS-OAHLLOKOSA-N 422.264 4.657 0 40 HJAB O=C(Nc1cccc(F)c1)Nc1nn(Cc2ccc(F)cc2)cc1Br 27916928 QRZRREHHGSYRCE-UHFFFAOYSA-N 407.218 4.616 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccccc3Cl)cs2)cc1 28286809 VXRCVUZBACBZDV-AWEZNQCLSA-N 416.930 4.598 0 40 HJAB CC1CCN(Cc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)CC1 30751595 BLYAJSOAQCPVNJ-UHFFFAOYSA-N 411.977 4.534 0 40 HJAB Cc1cccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)c1C 33067772 CGWVSBPCJDVZGS-UHFFFAOYSA-N 414.465 4.534 0 40 HJAB CN(Cc1ccccc1NC(=O)Cc1ccc(N2CCCC2=O)cc1)C1CCCCC1 36398337 GUIZXHQCSXFHIM-UHFFFAOYSA-N 419.569 4.759 0 40 HJAB Cc1cc(C)cc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)c1 38486541 GIKBICPFYSOOHP-UHFFFAOYSA-N 407.470 4.520 0 40 HJAB O=C(CSCc1c(F)cccc1Cl)NCc1ccc(CN2CCCC2)cc1 44857225 MGYBBBRWPBFWDR-UHFFFAOYSA-N 406.954 4.625 0 40 HJAB COc1ccc(N(C)C(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cn1 58270334 MHGTUQUVUMCRMD-UHFFFAOYSA-N 403.413 4.828 0 40 HJAB O=c1c2sc(=S)n(CCc3ccccc3)c2[nH]c(=S)n1Cc1ccco1 67341332 MTSBXDDVZFZTPA-UHFFFAOYSA-N 401.538 4.536 0 40 HJAB CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1 71934815 WJEDPFSNGRUMAW-JOCHJYFZSA-N 411.590 4.575 0 40 HJAB COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 72330413 PAWMKIITWCDBRX-XXBNENTESA-N 421.566 4.535 0 40 HJAB O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1cc(-c2ccco2)on1 84432874 KGAUUZCORJQTTN-UHFFFAOYSA-N 421.280 4.720 0 40 HJAB Cc1ccc(-c2cc3c(SCC(=O)NCCc4cccs4)nccn3n2)cc1C 90610089 ZOTVSMLHDHHLJM-UHFFFAOYSA-N 422.579 4.526 0 40 HJAB Oc1ccc(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1 90713396 RVOUIKOXCBVEQP-UHFFFAOYSA-N 404.473 4.886 0 40 HJAB CN1CCC([C@H]2CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 95440597 GBXNLQKIYIMJRX-ZDUSSCGKSA-N 423.401 4.920 0 40 HJAB Clc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3cnc4ccccc4c3)n2)c1 96112671 DVJIOBDBZSKFHV-QFIPXVFZSA-N 404.901 4.852 0 40 HJAB biogenic,in-vitro Cc1cccc(NC(=O)COC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c1C 102225351 AIPQCLNRQWIFHU-AJHHTPGJSA-N 420.347 4.519 0 40 HJAB COc1ccc([C@@H]2CC3=NC(=O)C[C@@H](C(=O)Nc4ccc(Cl)cc4)C3=C(O)C2)cc1 102659570 NSWIYRJHAPRBRX-RDTXWAMCSA-N 424.884 4.664 0 40 HJAB C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc(Cl)cc2)n1C 108040535 GXCWOOYIBMAPOX-GFCCVEGCSA-N 421.353 4.905 0 40 HJAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CC(c1ccccc1)c1ccccc1 222622777 PQTFKBKZZGAYIL-IBGZPJMESA-N 418.512 4.511 0 40 HJAB Cc1cccc(CN(C(=O)CCc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 222742396 PHFJUTNEDXYUNU-GOSISDBHSA-N 414.977 4.913 0 40 HJAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCCC2)c1C 223004820 YBQJDXZDVDACFV-VXKWHMMOSA-N 412.603 4.624 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 223042029 FGRWPAWOZANLLH-NRFANRHFSA-N 424.585 4.831 0 40 HJAB CC[C@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223424422 CNHYBWVAAAMTBH-AWEZNQCLSA-N 424.950 4.916 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 223821747 HZCHQBHUMKZDBI-GOSISDBHSA-N 412.961 4.667 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223887476 WXYUNSLGVWONGJ-IBGZPJMESA-N 410.533 4.543 0 40 HJAB CCOc1ccc(S(=O)(=O)N(CC)c2ccc(Br)c(Cl)c2)cc1 224601784 LHZAUPGSWNFNKO-UHFFFAOYSA-N 418.740 4.716 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 225208418 PCEBZANAFURPGS-MSOLQXFVSA-N 400.950 4.523 0 40 HJAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1Cl 225568378 NEIJEQBTJLSIHO-KRWDZBQOSA-N 417.933 4.749 0 40 HJAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 409107591 RZSXSXKSZUAHTH-PILJQMSFSA-N 419.543 4.585 0 40 HJAB COCCN1C(=O)S/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O 409136202 RNCDILOGNBDIIV-FYJGNVAPSA-N 406.507 4.681 0 40 HJAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O 409341546 FDWLCUMLWYTVIB-HIBZGYDWSA-N 406.507 4.925 0 40 HJAB O=C(NC[C@@H](c1cccs1)n1cccn1)C1c2ccccc2Oc2ccccc21 575613636 IVQSXHAZYUZRQK-SFHVURJKSA-N 401.491 4.588 0 40 HJAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCc5cc6c(nc5O)CCC6)(C4)C2)C3)cc1 603355976 TWDSNGDOYRHLMN-HFCJMSRESA-N 416.565 4.739 0 40 HJAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc(-n2cnnc2)ccc1Cl 679789 SGAUCGKETCIVDO-UHFFFAOYSA-N 415.840 4.981 0 40 HJAB Cc1ccc(C(=O)CSc2nnc(-c3ccccc3Br)n2C)cc1 976248 JBQPADXCFAJCGV-UHFFFAOYSA-N 402.317 4.528 0 40 HJAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(C(F)(F)F)cc3)oc2c1 1193551 AYHUCNIZUIAASE-QOMWVZHYSA-N 403.404 4.629 0 40 HJAB CC(=O)c1ccc(S(=O)(=O)N(C2=NCCCS2)c2cccc3ccccc23)cc1 1327946 FSPCMCVKNSABLN-UHFFFAOYSA-N 424.547 4.731 0 40 HJAB Cc1ccc(SC2=C(Nc3cccc(O)c3)C(=O)N(Cc3ccccc3)C2=O)cc1 1810746 MYXXGFNFLPOYCM-UHFFFAOYSA-N 416.502 4.685 0 40 HJAB CCCCc1cc(=O)oc2cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)c(Cl)cc12 2094790 LZXDHGMUEMCYDM-LBPRGKRZSA-N 423.893 4.608 0 40 HJAB biogenic CCOC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@H](C(=O)OCC)[C@@H]1c1ccco1 2359798 KQEGCJRLMNRRQP-UNMCSNQZSA-N 409.482 4.740 0 40 HJAB Cc1ccnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)c1 2405302 GDIZMLKSTOTXAZ-FQEVSTJZSA-N 404.372 4.524 0 40 HJAB CN(C)c1ccc([C@@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 2439015 SHTXJBNMQKJCIG-IADCTJSHSA-N 416.502 4.762 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)NC3CCCC3)nc2-c2ccc(C)cc2)cc1 2620354 BUHHMVODKSDROV-UHFFFAOYSA-N 418.566 4.973 0 40 HJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1sc2cc(C)ccc2c1Cl 2764195 YFZBLNQDALHAJE-UHFFFAOYSA-N 419.886 4.919 0 40 HJAB CCc1ccc(C(=O)O[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1 3266905 GLAUUZJOTURYEV-QHCPKHFHSA-N 401.462 4.988 0 40 HJAB CCOC(=O)c1oc2ccccc2c1CSc1nnnn1-c1ccc(Cl)cc1 3492991 BWXVLPIRIUPFRN-UHFFFAOYSA-N 414.874 4.531 0 40 HJAB Cc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3c(C)cc(C)cc3C)s2)cc1 4392407 AGQLHYGFGXMSPD-UHFFFAOYSA-N 414.596 4.873 0 40 HJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CCc1nc2ccccc2s1 4977713 PDSZEIMSWWMNRV-SOLBZPMBSA-N 403.544 4.776 0 40 HJAB Nc1c(C(=O)Nc2ccccc2F)sc2nc(-c3ccc4c(c3)OCO4)ccc12 5270256 IRONLKBEHULVNJ-UHFFFAOYSA-N 407.426 4.666 0 40 HJAB Cc1ccc(Sc2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1C 6623424 IXGUEYQEXOKXFJ-UHFFFAOYSA-N 413.520 4.954 0 40 HJAB Cc1cc(-n2c(C)cc([C@@H]3Nc4ccccc4C(=O)N3Cc3ccco3)c2C)no1 7113032 IDBVWGDIGSIBEC-JOCHJYFZSA-N 402.454 4.750 0 40 HJAB CCCCn1nnnc1NCc1c(OCc2ccc(F)cc2)ccc2ccccc12 7262107 RSZKQPARHPOYBJ-UHFFFAOYSA-N 405.477 4.957 0 40 HJAB CCN1CCN(c2ccccc2NC(=O)COc2ccccc2-c2ccccc2)CC1 7268510 UTTIZJBXUYMIKX-UHFFFAOYSA-N 415.537 4.513 0 40 HJAB Cc1cccc(Nc2nnc(SCC(=O)c3ccc4c(c3)OCCCO4)s2)c1 7291970 FOWCPDBFOAEAPK-UHFFFAOYSA-N 413.524 4.726 0 40 HJAB CC[C@@H](C)c1ccc([C@@H](NCC(=O)Nc2cccc(S(C)(=O)=O)c2)C(C)C)cc1 7719277 HZBVQZPKTZWPLD-HXOBKFHXSA-N 416.587 4.529 0 40 HJAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 7886325 UXICMMZGQKFUMN-OAQYLSRUSA-N 410.880 4.761 0 40 HJAB O=C(c1c(F)cccc1Cl)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 7989454 YIMFKQKCCCOBJB-UHFFFAOYSA-N 406.244 4.987 0 40 HJAB CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3C)c3ccccn23)cc1 9316478 YDYZZIQTFWRFOZ-UHFFFAOYSA-N 413.477 4.712 0 40 HJAB Cn1ccnc1Sc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 9316936 DGASHPDQYLXDJF-UHFFFAOYSA-N 414.339 4.679 0 40 HJAB CCc1nnc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)s1 9355772 BSMFSDMLLNRQND-UHFFFAOYSA-N 421.309 4.912 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 9753924 CZPJOSNYWKAEIN-VGOFRKELSA-N 422.916 4.580 0 40 HJAB C[C@@H]1C[C@@H](C)CN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)C1 10272068 OJRSOJFRMINXAG-HUUCEWRRSA-N 402.541 4.718 0 40 HJAB COc1cccc(NC(=O)[C@@H](OC(=O)[C@@H]2Cc3ccccc3S2)c2ccccc2)c1 10905127 ZDPUXFWVWUIISC-VXKWHMMOSA-N 419.502 4.635 0 40 HJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC)O[C@H](C)C2 12565259 TZFYSLALCRFMIG-ZIAGYGMSSA-N 418.921 4.818 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)c1 12674583 DFIBAWDCCNRLDQ-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB COc1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc(Cl)c1OCC(C)C 12767457 DHQCMFSDDWQYQD-UHFFFAOYSA-N 423.893 4.662 0 40 HJAB O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccc(F)cc1Br 12806595 QUFQWWMQNHCPLE-UHFFFAOYSA-N 410.136 4.921 0 40 HJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 14200054 LCTOKLOOSNAQKP-IRXDYDNUSA-N 422.554 4.760 0 40 HJAB COc1ccc(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 14831416 QQCZSVHKMOKRLK-UHFFFAOYSA-N 407.310 4.923 0 40 HJAB Cc1ccc(OCc2nc3ccccc3n2C[C@@H](O)COc2cccc(C)c2C)cc1 15860764 FAARKZJMZPEAIJ-OAQYLSRUSA-N 416.521 4.980 0 40 HJAB COCCCNC(=O)c1sc2c(cnc3ccc(OC)cc32)c1-c1ccccc1 16846863 HVPMMRVQVKDUFR-UHFFFAOYSA-N 406.507 4.891 0 40 HJAB COc1ccc(Cc2nc3ccccc3n2C[C@@H](O)COc2ccc(C)c(C)c2)cc1 16903817 STTYFHVGTBTYHA-OAQYLSRUSA-N 416.521 4.692 0 40 HJAB COCc1ccc(C(=O)N2CC[C@H](c3nc(C4CCC4)n4c(C)csc34)C2)cc1 19240531 MGTXCGSTIQFADK-IBGZPJMESA-N 409.555 4.748 0 40 HJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(I)cc1C 20050575 ZAJDLULMEDYRCO-MRXNPFEDSA-N 413.230 4.535 0 40 HJAB CC(=O)N1CCc2cc(NC(=O)c3cc(-c4ccc(C)o4)nc4ccccc34)ccc21 22191571 DNNSSQBCGBGRNI-UHFFFAOYSA-N 411.461 4.965 0 40 HJAB O=C(c1ccccc1SCc1ccccc1)N1CCN(Cc2ccccc2)CC1 22913518 JSDLHYNLPGTUMX-UHFFFAOYSA-N 402.563 4.937 0 40 HJAB O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1cc2ccccc2[nH]c1=O 25471644 FCAZJVBNNXTGRR-RVCSHAMNSA-N 406.485 4.555 0 40 HJAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN=C1c1ccccc1 27824555 YRBRHUCHAQUHQH-UHFFFAOYSA-N 420.962 4.669 0 40 HJAB CC(=O)Oc1cccc(O[C@H](C)c2nc(-c3ccc(Br)cc3)no2)c1 28218095 LLKLMWGGOKGSHK-LLVKDONJSA-N 403.232 4.564 0 40 HJAB CCOC(=O)N1N=C(c2ccccc2)O[C@@]2(N3CCCC3)CC[C@H](C(C)(C)C)C[C@@H]12 31771762 VGGJUABZLUJXJR-ROKPMTFOSA-N 413.562 4.844 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)ccc1Cl 32594071 VYSNQIGEZBZYPA-AWEZNQCLSA-N 411.889 4.983 0 40 HJAB Cc1ccc2c(=O)cc(CSCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c2c1C 33064036 CUESHVAZLMFMPL-UHFFFAOYSA-N 404.894 4.809 0 40 HJAB CCOc1c(I)cc(CNc2cccc(Cl)c2)cc1OC 34849179 RIFZSFLAOFELSJ-UHFFFAOYSA-N 417.674 4.964 0 40 HJAB COc1cc(CN[C@@H](C)C(C)(C)C)ccc1OCC(=O)Nc1ccccc1Cl 36612726 UAHUKHMEMWKPIA-HNNXBMFYSA-N 404.938 4.890 0 40 HJAB Cc1occc1C(=O)Nc1nc(CC(=O)N[C@H](C)c2cccc3ccccc23)cs1 40130514 IVGSYMFBNXOVJK-CQSZACIVSA-N 419.506 4.870 0 40 HJAB Cc1cc(N2CCN(C/C=C/c3ccccc3)CC2)n2nc(-c3ccccc3)c(C)c2n1 40216585 OHEWWRQHRXUARZ-FMIVXFBMSA-N 423.564 4.849 0 40 HJAB COc1ccc(OC)c([C@H](C)NC(=O)CNC2(c3ccc(Cl)cc3)CCCC2)c1 58343850 BAICWGILWGWPCQ-INIZCTEOSA-N 416.949 4.594 0 40 HJAB Cc1ccc(-c2nnc(Cc3nc(-c4cccc(Br)c4)no3)o2)cc1F 65185424 VUAMXKQIKRBTHS-UHFFFAOYSA-N 415.222 4.587 0 40 HJAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(F)cc(F)c2)n1 67297921 XYSSOBGDWGOJNI-ROMGYVFFSA-N 407.376 4.605 0 40 HJAB O=C(O)[C@@]12C[C@@H](Nc3[nH]nc(-c4ccc(Cl)cc4)c31)c1cc(Cl)ccc1O2 72332297 CHYLFDZWTGQCJQ-BFUOFWGJSA-N 402.237 4.613 0 40 HJAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(Cc3cccnc3)C2)n1 72345961 BLZWHMCJTFGZRN-QGZVFWFLSA-N 413.447 4.519 0 40 HJAB COc1cccc(OC)c1CN1CCC[C@@H]1c1cccc(Nc2nc(C)cs2)n1 72375506 AZFNNJGWIBDMDH-GOSISDBHSA-N 410.543 4.944 0 40 HJAB CCN(CC)[C@H](CNC(=O)c1cccc(Oc2ccncc2)c1)c1cccc(OC)c1 79034144 CTOBSZLIINCAGG-XMMPIXPASA-N 419.525 4.695 0 40 HJAB CCOc1ccc(N2C(=O)/C(=C\Nc3ccc(OC)cc3)c3ccccc3C2=O)cc1 104185417 HLLVZJKOELASKY-KQWNVCNZSA-N 414.461 4.734 0 40 HJAB CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 220007424 UUXUNKCHTKCAFS-UHFFFAOYSA-N 418.584 4.616 0 40 HJAB COC(=O)c1cn(C(=O)CSCc2ccc(Br)cc2)c2ccccc12 222572719 DJPLEBUIEHJVPS-UHFFFAOYSA-N 418.312 4.764 0 40 HJAB COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC(C)C 222911000 QSFCQJAXFQPDKT-FCHUYYIVSA-N 406.555 4.509 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1C[C@@H]1CCCO1 223316680 YCHPSNAKELJTJI-BWAGFHJFSA-N 410.587 4.540 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)c1 223791477 RJNUBUCTHOVOOG-OAQYLSRUSA-N 406.570 4.630 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 224095082 GTQQKJBBSGVKJR-HXUWFJFHSA-N 418.990 4.517 0 40 HJAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1CSc1ccccc1 224329871 CBNIROMPZODARS-UHFFFAOYSA-N 407.491 4.646 0 40 HJAB CCN(Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1)S(=O)(=O)c1ccccc1 224444729 JSJQRBSUDCYJFX-UHFFFAOYSA-N 422.550 4.767 0 40 HJAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccccc1OC 224573920 FSVSWUUOOSNQAU-UHFFFAOYSA-N 405.494 4.911 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1C 225167725 GCYQCSYWLJPGBC-GOSISDBHSA-N 400.950 4.525 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccc(C)cc1 225443430 AQZZIFBVRQDIDQ-FCHUYYIVSA-N 424.585 4.529 0 40 HJAB CO[C@@]1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225635694 NIUCCHZYCQURBK-FIXDAVPBSA-N 402.579 4.577 0 40 HJAB CCCOc1ccc(C(=O)N2CCN(c3ccc(-n4cccc4)cc3Cl)CC2)cc1 226245607 AZDYHGYIBVSZHF-UHFFFAOYSA-N 423.944 4.882 0 40 HJAB COc1ccccc1Cc1cnc([C@H]2CCCCN2Cc2cccc(C(=O)O)c2)o1 257207109 BGJMHVGFPGVDTR-OAQYLSRUSA-N 406.482 4.699 0 40 HJAB O=C(NCC[C@@H]1CCCCN1C(=O)C1(c2ccccc2)CCCC1)c1ccccc1 257231241 GFXCREMBFSFNPU-QHCPKHFHSA-N 404.554 4.700 0 40 HJAB CC(C)(C)CNC[C@H]1CC[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)CC1 257299498 RQIIRQBBYLMPDB-MXVIHJGJSA-N 423.601 4.617 0 40 HJAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c(C)cc1Br 408641101 JRQNNAZUFFDRKC-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB COc1ccc(CCCc2nnc(SCC(=O)Nc3cccc(C)c3C)o2)cc1 409016718 RMHPKRQDIBKYGL-UHFFFAOYSA-N 411.527 4.601 0 40 HJAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Br)c1OC(C)C 409091784 UQLGXRJDDBRVTH-NTEUORMPSA-N 414.321 4.691 0 40 HJAB Cc1cccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccncc2)c1 409103220 FXYMXACWCGOLOW-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB CCOc1c(Br)cc(-c2nc(O)c3ccccc3n2)cc1Br 409263720 MGURRXTYXLCFBV-UHFFFAOYSA-N 424.092 4.926 0 40 HJAB COc1c(C)cccc1C(=O)N1CCCCCCCN(C(C)=O)c2ccccc2C1 643553219 CYYSNPWEULYKCD-UHFFFAOYSA-N 408.542 4.963 0 40 HJAB COC(=O)[C@H](NC(=O)CCc1ccc(C(F)F)cc1)c1cccc(C(F)(F)F)c1 1583814269 FXHQIRWVHYGQJR-QGZVFWFLSA-N 415.358 4.606 0 40 HJAB COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@H](C(=O)OC)[C@@H]1c1ccc(F)cc1 626780 NBRAHZGCBSZXDC-SFTDATJTSA-N 409.457 4.506 0 40 HJAB COc1ccccc1-c1nnc(SCC(=O)OC2CCCCC2)n1-c1ccccc1 793584 AZHWAMXGUQCLAT-UHFFFAOYSA-N 423.538 4.911 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc2c1CC[C@@H](CC)C2 879535 TXCPEDRPCKQLIV-CYBMUJFWSA-N 405.491 4.596 0 40 HJAB Cc1ccccc1C(=O)N1CCc2cc(-c3csc(NC(=O)C4CC4)n3)ccc21 1355660 KZTBYOMCAAAOSC-UHFFFAOYSA-N 403.507 4.670 0 40 HJAB Cc1ccc(NC(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1F 2146764 LGSMPUCXSYPWSM-UHFFFAOYSA-N 403.409 4.925 0 40 HJAB biogenic Cc1ccc(-c2nnc(N3CCN(C(=O)c4cccs4)CC3)c3ccccc23)cc1 2403952 LQVHNXLRBUBETF-UHFFFAOYSA-N 414.534 4.629 0 40 HJAB CCCCc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 2446079 IFKIVBOJWZWZKR-UHFFFAOYSA-N 417.538 4.889 0 40 HJAB Cn1cccc1C(=O)O[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 2664093 SVPWEKORSRBODY-SFHVURJKSA-N 402.372 4.581 0 40 HJAB CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 2704140 AONQHECBDMRWNI-QFIPXVFZSA-N 412.445 4.645 0 40 HJAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OC(=O)c2ccccc2F)cc1 2891913 DJPOWNNRVQJUBL-UDWIEESQSA-N 405.356 4.529 0 40 HJAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3OC(F)F)s2)c1 3343747 XYFPSGHXOGKBFV-UHFFFAOYSA-N 422.482 4.922 0 40 HJAB CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](c3ccc(N(C)C)cc3)[C@H]1[C@H]2C 3999159 MATUOSYEEAMWHP-KETUGKNFSA-N 400.563 4.793 0 40 HJAB biogenic CCOc1ccc(S(=O)(=O)Nc2c(-c3cccs3)nc3cc(C)ccn23)cc1 5171092 AUELALTVHSRJHY-UHFFFAOYSA-N 413.524 4.571 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(F)c2)N1c1ccccn1 5271760 VTMRAMPFEAOZAB-LJQANCHMSA-N 406.800 4.730 0 40 HJAB COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)c1 6642174 ROXJCVJZPAJKGV-SUXVVSLQSA-N 421.537 4.612 0 40 HJAB COc1cc2c(cc1NC(=O)[C@]1(C)Cc3ccccc3C(=O)O1)oc1ccccc12 7474997 AYTIBBQBBOQEKZ-DEOSSOPVSA-N 401.418 4.705 0 40 HJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Cl)cc1N1CCCC1=O 8401519 QBVBTGVJWDVQMQ-UHFFFAOYSA-N 412.873 4.761 0 40 HJAB Cc1ccc(C(=O)[C@H](CC(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 8475329 CRXJLRMYBCJVKZ-QHCPKHFHSA-N 406.503 4.602 0 40 HJAB COc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2cccc(Cl)c2)cc1 8476306 RVGMZEXOZULZDK-UHFFFAOYSA-N 418.884 4.526 0 40 HJAB O=C(NCCSCc1ccc(Cl)cc1)C1CCN(Cc2ccccc2F)CC1 9063474 MAHSHGAMUBQBOR-UHFFFAOYSA-N 420.981 4.741 0 40 HJAB CCc1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 9250757 XNSBJXRQWVZUOP-JOCHJYFZSA-N 400.950 4.625 0 40 HJAB COc1cc2c(cc1NC(=O)[C@@H](C)Sc1nnc3ccccn13)oc1ccccc12 9641645 GALNQLWTZBEXDA-CYBMUJFWSA-N 418.478 4.757 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 9787467 DPKOUGDPMOZRKP-ZDUSSCGKSA-N 411.914 4.569 0 40 HJAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(-c2nc3ccccc3s2)o1 9963760 LYDIFEYIGVOCLB-GDNBJRDFSA-N 416.414 4.630 0 40 HJAB COc1cccc(C(=O)N(Cc2ccncc2)c2nc3c(F)cccc3s2)c1OC 10254261 OCUGSMLRARDGIQ-UHFFFAOYSA-N 423.469 4.695 0 40 HJAB COc1ccc2sc(N(Cc3ccncc3)C(=O)CCc3ccccc3)nc2c1 10254267 FJEKXZNRKBTLHC-UHFFFAOYSA-N 403.507 4.866 0 40 HJAB CS(=O)(=O)Nc1cccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 12536303 DPOLZHBLQXEHCZ-HXUWFJFHSA-N 412.536 4.530 0 40 HJAB Cc1ccc(SCCC(=O)OCC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 12818974 PZCAOAQZQGNPMQ-QGZVFWFLSA-N 415.580 4.938 0 40 HJAB COc1ccccc1/C=C/C(=O)Nc1ccc(Br)cc1Br 12822239 RVXMIXHNQMBXMC-RMKNXTFCSA-N 411.093 4.872 0 40 HJAB Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nn2)n1 13009659 ZNWBRCFBSAZIGM-UHFFFAOYSA-N 404.861 4.620 0 40 HJAB CCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)cc1 13844498 YLDDSZQXOCIYAV-UHFFFAOYSA-N 417.465 4.548 0 40 HJAB O=C(/C=C/c1ccc(Br)s1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 14171538 ZFVFCEFVHUNMQP-PXTSUWAFSA-N 420.328 4.659 0 40 HJAB CSc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccccc2)cc1 15413321 FDHZHTCFNCNKIZ-HSZRJFAPSA-N 402.519 4.838 0 40 HJAB COc1ccc(-c2nc(CNC(=O)COc3cc(C)c(Cl)c(C)c3)cs2)cc1 15832731 XJYQIHGXLLECDS-UHFFFAOYSA-N 416.930 4.784 0 40 HJAB O=c1oc2ccccc2cc1-c1csc(SC[C@@H]2COc3ccccc3O2)n1 16525674 MKAXMYIUSQRXHP-AWEZNQCLSA-N 409.488 4.849 0 40 HJAB O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)NCc1ccc(Cl)cc1 17155855 NFGRJTBBABGFAZ-UHFFFAOYSA-N 420.321 4.561 0 40 HJAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(F)cc2)c1 17248117 MQNIMJCQPGULMQ-UHFFFAOYSA-N 408.458 4.622 0 40 HJAB O=C(NC[C@H]1CCC[C@@H](CNC(=O)Nc2ccccc2F)C1)Nc1ccccc1F 18283052 VIMPJHCHXBIHNB-IYBDPMFKSA-N 416.472 4.714 0 40 HJAB CN(C)[C@H](CNC(=O)c1c(-c2ccccc2)n(C)c2ccccc12)c1cccs1 24757441 NLYRPNXWAONJRG-HXUWFJFHSA-N 403.551 4.940 0 40 HJAB C[C@H](Nc1ccccc1C(=O)NCc1ccco1)C(=O)Nc1cccc2ccccc12 24760628 APTAVVXPAXZPHA-KRWDZBQOSA-N 413.477 4.802 0 40 HJAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 24776814 LAWYAYNBVLDISF-FQEVSTJZSA-N 409.486 4.513 0 40 HJAB O=C(/C=C/c1cccs1)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 27724168 WFBGLQAANGSJCP-VMPITWQZSA-N 410.426 4.520 0 40 HJAB Cc1cccc2c1N[C@H](c1cc(Br)ccc1OCc1ccccn1)NC2=O 28923554 IKLJWDKYSGMYBC-FQEVSTJZSA-N 424.298 4.586 0 40 HJAB CCCCc1ccc2nc(NC(=S)NC(=O)COc3ccc(C)cc3)sc2c1 32119101 JSPFTKOFKBGFQH-UHFFFAOYSA-N 413.568 4.839 0 40 HJAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCC[C@H](c4nc5ccccc5s4)C3)c2c1 35107765 HHZZVUFEYUXDOR-LHSJRXKWSA-N 421.522 4.792 0 40 HJAB COC(=O)c1ccc(OCc2nnc(-c3ccccc3Cl)o2)c(Br)c1 37170223 XRNDNXIEVPIJNF-UHFFFAOYSA-N 423.650 4.518 0 40 HJAB CCC1CCC(N(C(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)C2CC2)CC1 40132936 SIKDAMPIPIHPDR-UHFFFAOYSA-N 416.562 4.984 0 40 HJAB Cc1cc([C@H]2CCCN2C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)on1 47265326 BLKJBBXHEKXXCY-MRXNPFEDSA-N 417.918 4.958 0 40 HJAB Cc1cccc(N2CCN(c3nc4c(-c5ccccc5)nnn4c4ccccc34)CC2)c1 67263321 VHSBXTKKQGSJGW-UHFFFAOYSA-N 420.520 4.580 0 40 HJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(C)ccc2F)nc1 67294426 VSRCAMJTMNHMLL-RWEWTDSWSA-N 403.413 4.774 0 40 HJAB O=c1c2ccsc2nc(SCc2cnn(-c3ccccc3)c2)n1-c1ccccc1 84576650 LOOBDMDPCWPERC-UHFFFAOYSA-N 416.531 4.925 0 40 HJAB NC(=O)c1cc(Cl)ccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 89768342 CIHZXVIJXAJLFR-UHFFFAOYSA-N 410.701 4.729 0 40 HJAB COc1cc2nc(SC(C)C)n(Cc3ccccc3Cl)c(=N)c2cc1OC 100330273 DOJIODRLDNFMEP-UHFFFAOYSA-N 403.935 4.735 0 40 HJAB COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4C)CC3=Nc3ncnn32)cc1OC 102662140 WAJRZZRHUWXUKC-WAIKUNEKSA-N 416.481 4.669 0 40 HJAB O=C1[C@H]2[C@@H](c3ccc(F)cc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)cc1 102663106 YTAVVOCPAQPSIP-PWRODBHTSA-N 422.843 4.530 0 40 HJAB C[C@H](NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1)[C@@H]1C[C@H]2CC[C@H]1C2 103481511 NTLPCEUJAMSPQJ-MNXVOIDGSA-N 411.395 4.970 0 40 HJAB O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1CCC[C@H](c2nc3ccccc3s2)C1 104822531 BUFRXMXROUJKMO-RNODOKPDSA-N 409.486 4.922 0 40 HJAB O=C1S/C(=C\c2ccc(I)cc2)C(=O)N1Cc1ccccc1 106681899 YSVKCAWZSCHVRU-GDNBJRDFSA-N 421.259 4.528 0 40 HJAB O=C(CSCc1ccc(F)cc1)Nc1ccccc1C(=O)N1CCCCCC1 216438603 QYRDKPJIKPPIJP-UHFFFAOYSA-N 400.519 4.714 0 40 HJAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1 222891481 OXARWZMIJPWWCP-UHFFFAOYSA-N 411.104 4.565 0 40 HJAB Cc1cccc(C)c1N(Cc1ccc(C(=O)N(C)c2ccccc2)cc1)S(C)(=O)=O 223239058 PIJSUVHLRVJODL-UHFFFAOYSA-N 422.550 4.546 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 223313133 MTUCSSBMCPDRLA-NRFANRHFSA-N 414.977 4.913 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1Cc1ccncc1 223505376 NOVDZJSIBMKIEO-XZOQPEGZSA-N 417.582 4.956 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c(C)c1 223942087 ZHZPUMIBDZWMLR-IBGZPJMESA-N 422.550 4.904 0 40 HJAB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1C 224180547 ONTZQEPQILVAMY-HSZRJFAPSA-N 422.550 4.701 0 40 HJAB CCOc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(OC)cc2)c1 224880440 KVHVXUYEZHOAAL-QNGOZBTKSA-N 422.506 4.565 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)N[C@H](C)CC)cc1 225044788 KPTFBEAHJMZNNC-NHCUHLMSSA-N 408.586 4.822 0 40 HJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC 225460570 PUDRVATXNFRXFG-NRFANRHFSA-N 400.950 4.606 0 40 HJAB O=C(NCCCc1ccc(F)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225585546 RGTVUBXLZWBLPM-UHFFFAOYSA-N 406.904 4.579 0 40 HJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225688945 XEQZWZBCQYAAAV-REHUZNOOSA-N 404.595 4.823 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)c1 408689880 ZKUQQRYDZWNXNM-WSXQUGQNSA-N 408.885 4.602 0 40 HJAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O 409242316 WUDOKZBTCBPNLC-WOJGMQOQSA-N 405.281 4.875 0 40 HJAB Cc1ccc(N([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1C 409409545 HUWUXMRLPXWCHT-SFHVURJKSA-N 402.560 4.528 0 40 HJAB Cc1cc(=O)c(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cn1C1CC1 550151008 STWUTLWFJWPHEC-OAQYLSRUSA-N 411.505 4.535 0 40 HJAB CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O 585272771 JLSPSPVNNUHGDO-KIFXHHALSA-N 423.484 4.909 0 40 HJAB CN([C@H](c1ccccc1)c1ccccc1Br)S(=O)(=O)c1ccccc1 1561890650 RTVJILBTFBCIAN-HXUWFJFHSA-N 416.340 4.859 0 40 HJAB CCCCN(C(=O)c1cc2c(C(F)F)nn(C)c2s1)[C@H]1CCc2ncsc2C1 1586635973 DWBTUHBVFWRARN-NSHDSACASA-N 424.542 4.829 0 40 HJAB Cc1cccc(N2C(=O)c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3C2=O)c1C 838331 MEEYTDNEHDBUHQ-UHFFFAOYSA-N 418.880 4.939 0 40 HJAB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(OC)cc1 876355 IDPIKTLTMQSDPP-UHFFFAOYSA-N 417.918 4.514 0 40 HJAB Cc1ccc(C(=O)O)cc1N1C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2C1=O 992751 DELSXABXULGRME-UHFFFAOYSA-N 407.809 4.940 0 40 HJAB O=C1O[C@H](c2ccc3c(c2)OCO3)N(C(=O)c2ccccc2Cl)c2ccccc21 996555 OSGFJZSKOVJWPA-OAQYLSRUSA-N 407.809 4.585 0 40 HJAB NC1=C(c2nc3ccccc3s2)C2=C(CCCC2)[C@@]2(O1)C(=O)Nc1ccccc12 1054065 FODIALBLLRUFSJ-QHCPKHFHSA-N 401.491 4.672 0 40 HJAB CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(C)c2)cc1 1432450 IAAVTFSUMJGFOO-UHFFFAOYSA-N 419.529 4.950 0 40 HJAB COc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 1858233 QIIHWZHWSCNWNV-UHFFFAOYSA-N 402.446 4.751 0 40 HJAB CCc1ccccc1NC(=O)Cn1cnc2sc(C)c(-c3ccc(C)cc3)c2c1=O 1942739 QOBPRVFQWKUNQB-UHFFFAOYSA-N 417.534 4.943 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(c1nccs1)C3=O 2406343 JUIDNJZITQHRNZ-KRWDZBQOSA-N 408.866 4.961 0 40 HJAB COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 2410190 QQUDKVMMXYWDSL-IBGZPJMESA-N 418.474 4.625 0 40 HJAB O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2887738 HEBSDPOABFFOGW-UHFFFAOYSA-N 409.408 4.942 0 40 HJAB COc1cccc(-n2nnc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)c1 4316303 VACYPLJKHCGEPJ-UHFFFAOYSA-N 400.438 4.629 0 40 HJAB CCOc1ccc(-c2noc(CCCC(=O)Nc3cc(C)ccc3C)n2)cc1OC 4488196 KRSOEJQFSVKGQW-UHFFFAOYSA-N 409.486 4.722 0 40 HJAB Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)c3cc(C)ccc3C)c3ccccc32)c1 4556284 KNFNRNMYIYLUHP-HHHXNRCGSA-N 413.517 4.928 0 40 HJAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O)Nc1ccccc1 4690780 FVGJBTBCOSHWJO-UYRXBGFRSA-N 404.447 4.622 0 40 HJAB COc1ccc2oc(=N)c(C(=O)Nc3c(C)cc(Br)cc3C)cc2c1 4949749 TVUAUJGINFTMSZ-UHFFFAOYSA-N 401.260 4.553 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)cc1 4954613 XXNTYTAZYOKGDY-UHFFFAOYSA-N 416.934 4.748 0 40 HJAB Fc1ccccc1-c1nnc(SCc2cc3c(cc2Br)OCO3)o1 4961206 CQLFYLZRZXQTRS-UHFFFAOYSA-N 409.236 4.659 0 40 HJAB CC(C)c1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 5237649 SINWYCMBKWVDIR-UHFFFAOYSA-N 413.568 4.718 0 40 HJAB COc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(Cl)cc1Cl 5356951 PUNIUPWELWJHRD-UHFFFAOYSA-N 400.205 4.822 0 40 HJAB Cc1oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2c1C(=O)OC(C)(C)C 5516206 GXSHXYWNLVIQPL-UHFFFAOYSA-N 405.447 4.636 0 40 HJAB COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 5561916 SKMHQMYRDGGTHR-HSZRJFAPSA-N 411.457 4.855 0 40 HJAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(OCC)cc2)cc1 6630807 QDFWWBWEEMTEPO-UHFFFAOYSA-N 404.466 4.504 0 40 HJAB COc1cccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2cccc(C)c2)c1OC 6679116 XCFCAEKIYBVCFL-YCRPNKLZSA-N 423.538 4.670 0 40 HJAB CCOc1cc(/C=C2/C(=O)N(C)c3ccccc32)cc(Br)c1OCC 6948878 TZAOACQANDWCGP-XNTDXEJSSA-N 402.288 4.764 0 40 HJAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1CCOc2ccccc21 7136614 SGRSHLZDTPUZGR-QGZVFWFLSA-N 413.930 4.566 0 40 HJAB COc1ccc([C@H](NC(=O)CN2CCSc3ccccc32)c2ccccc2)cc1 7359913 UXBABQYZBQHXPD-XMMPIXPASA-N 404.535 4.513 0 40 HJAB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc(Cl)c1C 7939850 ZRFRLHLALUYXGC-UHFFFAOYSA-N 416.905 4.502 0 40 HJAB CCOc1cc(CNCCO)cc(Cl)c1OCc1ccc(Cl)cc1Cl 8254025 RQFZTBVDSJAJHI-UHFFFAOYSA-N 404.721 4.706 0 40 HJAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)C(=O)[C@@H]2C1 8472261 ZXXURGJNYFAPFU-RTBURBONSA-N 408.885 4.746 0 40 HJAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccccc1N1CCCC1 8727249 MSMWTZVBRLUKNA-HSZRJFAPSA-N 413.521 4.787 0 40 HJAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(F)c(Cl)c1 10328802 ZSMLADLOHAHOPR-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB O=C(Nc1cccc(NC(=O)c2cc(F)ccc2Br)c1)c1ccco1 11361324 GKVDTGBWXHAFQO-UHFFFAOYSA-N 403.207 4.686 0 40 HJAB C[C@@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1ccc(F)cc1F 12575625 LPZMTLVVHYQTCB-GFCCVEGCSA-N 415.440 4.900 0 40 HJAB C[C@H](NC(=O)C(=Cc1ccsc1)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 12623091 OFNRXIYMEPLHSE-HDICACEKSA-N 404.535 4.886 0 40 HJAB C[C@H]1CCc2c(sc3nc(CCN[C@@H](C)c4ccc(F)cc4F)nc(N)c23)C1 12684251 JTVDERKBSCMVDE-RYUDHWBXSA-N 402.514 4.570 0 40 HJAB CN(Cc1c(F)cccc1Cl)C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 12898717 BGNWGQNYIQHEHE-UHFFFAOYSA-N 403.881 4.721 0 40 HJAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 12922206 ZFJYNZDAHFQXGY-GOSISDBHSA-N 408.523 4.597 0 40 HJAB C[C@@H](c1nc(C(C)(C)C)no1)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12987508 OEDFXVSYRVARTM-JTQLQIEISA-N 418.847 4.671 0 40 HJAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2Cc3ccccc3S2)cc1 13023889 CFQFXCQPFDOMMU-DEOSSOPVSA-N 402.563 4.748 0 40 HJAB Cc1cc(C(=O)Nc2ccc(OC(F)F)cc2)c2c(C)nn(-c3ccccc3)c2n1 13960948 MIWKPVBYGWKOPC-UHFFFAOYSA-N 408.408 4.891 0 40 HJAB COc1ccc([C@@H]2CCCN2Cn2nc(-c3cccc(C)c3)n(C)c2=S)c(OC)c1 14185895 JRTZKNKIQMMQTP-FQEVSTJZSA-N 424.570 4.738 0 40 HJAB CCc1ccc(S(=O)(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 15783806 QRLWOSLQVNMBKX-UHFFFAOYSA-N 420.987 4.855 0 40 HJAB COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1cccc(Cl)c1 16085700 GGQYDQALAKROGN-UHFFFAOYSA-N 402.946 4.595 0 40 HJAB O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc(F)cc1F 16841451 AVUOIGFBWUAUAW-UHFFFAOYSA-N 414.412 4.544 0 40 HJAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3ccncc3C)cc2N1 19520636 NWZVDUYUOMBPCI-ZTFGCOKTSA-N 421.467 4.652 0 40 HJAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccccc2)C1 19580146 MJSBETOJTGUPFC-RUZDIDTESA-N 418.562 4.578 0 40 HJAB O=C(Nc1ccccc1OCc1ccccn1)c1cc(-n2cccn2)ccc1Cl 19715136 UOWVMYMJFACMOH-UHFFFAOYSA-N 404.857 4.752 0 40 HJAB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccccc2C)n2c1nc1ccccc12 20675875 OHOJNZLHXQFCCK-FGZHOGPDSA-N 419.525 4.650 0 40 HJAB O=C(Nc1cccnc1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20715455 KKPRVYHFOODUBN-HSZRJFAPSA-N 411.505 4.773 0 40 HJAB Cc1cc2oc(=O)cc(COC(=O)CSc3nc4ccccc4o3)c2cc1Cl 21182387 RQXBVEQGFPMKOK-UHFFFAOYSA-N 415.854 4.732 0 40 HJAB Cc1ccc(NC(=O)NCc2cccs2)cc1NC(=O)NCc1cccs1 22386204 DNSLVEMQOFUZOW-UHFFFAOYSA-N 400.529 4.761 0 40 HJAB O=c1oc(-c2ccc(F)cc2)nn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 22519583 RMVRWGFYELKQLD-UHFFFAOYSA-N 421.375 4.833 0 40 HJAB CCCCc1noc(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)n1 24836842 CIRVNYVBZKOTPD-UHFFFAOYSA-N 406.515 4.656 0 40 HJAB CC[C@@H](C)c1ccc([C@@H](NC(=O)CCc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 26390996 CKHUIVLMMMWKLF-OSPHWJPCSA-N 405.542 4.883 0 40 HJAB Fc1ccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N3CCCC3)n2)cc1 27546318 AXLKXZMVEAKLQS-UHFFFAOYSA-N 402.836 4.891 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955230 QNNZYZWNGLYCAH-UHFFFAOYSA-N 410.905 4.549 0 40 HJAB Cc1ccc2nc(Cc3ccc(NC(=O)[C@@H](c4ccc(F)cc4)N(C)C)cc3)[nH]c2c1 35316878 NXYYCBBRVLONLB-XMMPIXPASA-N 416.500 4.843 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38849346 XMKSYCOBRLAMJU-UHFFFAOYSA-N 407.297 4.573 0 40 HJAB CCN1c2ccccc2-c2nc(SCc3ccc(C)c(C)c3)ncc2S1(=O)=O 67260048 MTEQMCRJUNMRGJ-UHFFFAOYSA-N 411.552 4.581 0 40 HJAB Cc1cccc(N2CCN(c3nccn4nc(-c5ccc(Cl)cc5)cc34)CC2)c1C 67284788 ZUXPQHNOSOYOHP-UHFFFAOYSA-N 417.944 4.993 0 40 HJAB O=C1c2ccccc2CC[C@H]1[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 72193910 ZYAYJMIHRVQVMD-NLFFAJNJSA-N 417.892 4.520 0 40 HJAB O=C1C[C@H](O)C[C@@H](/C=C\c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)O1 90698229 XJVKVAFYQRWVAJ-DBBWNDPISA-N 403.453 4.998 0 40 HJAB Cc1c(C(=O)Nc2ccncc2I)oc2c(Cl)cccc12 95413746 HVFNQAZLDIPHQM-UHFFFAOYSA-N 412.614 4.647 0 40 HJAB COc1ccc(CN2C(=O)/C(=C\N[C@H]3CCC[C@H](C)[C@H]3C)c3ccccc3C2=O)cc1 103004352 OBOIWTUNSQCWPD-DYQZWVLFSA-N 418.537 4.633 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 222627991 WQXGYVALPRGQBX-INIZCTEOSA-N 418.990 4.764 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 223091979 DVDACWMMKFYUTL-SFHVURJKSA-N 400.950 4.525 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 223360986 MLBIBSMZWQNJBI-HXUWFJFHSA-N 400.950 4.605 0 40 HJAB COc1ccc(CN(C(=O)C(C)C)[C@@H](C(=O)NCCC(C)C)c2ccccc2)cc1 223557235 HJFCXKJLINPBCN-HSZRJFAPSA-N 410.558 4.583 0 40 HJAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223594358 CWWURZQSAASGND-AVRDEDQJSA-N 414.977 4.995 0 40 HJAB Cc1ccc(CN2CCC(C(=O)NCc3ccccc3CN3CCCCC3)CC2)cc1 224839433 CWQQQFQJBHQHRK-UHFFFAOYSA-N 419.613 4.509 0 40 HJAB COCc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)c1 225189549 QEFYOFDPGORSPV-STZFKDTASA-N 406.507 4.613 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 225573882 FKYWXYBRTJVDSP-QPPBQGQZSA-N 424.585 4.713 0 40 HJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCCC1 225721359 IKQCXGZMCGABRP-GOSISDBHSA-N 406.526 4.598 0 40 HJAB O=C(O)COc1ccc(CN2CCCC[C@@H]2c2ncc(Cc3ccccc3F)o2)cc1 257204201 ATMYQKROCYTGDL-JOCHJYFZSA-N 424.472 4.595 0 40 HJAB COc1cccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c1OC 408634381 QLVQMBVZIQMSKG-GDNBJRDFSA-N 418.858 4.625 0 40 HJAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 408990199 NGDRJVPZSQFJMZ-QGZVFWFLSA-N 420.296 4.771 0 40 HJAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 409030268 FAQHVWNUIMWHBH-PGMHBOJBSA-N 400.503 4.870 0 40 HJAB CCc1ccc(-n2c(SCC(=O)N3CCCC[C@H]3C)nnc2-c2ccccc2)cc1 409214150 WGZRONOLLRHIBB-GOSISDBHSA-N 420.582 4.990 0 40 HJAB O=C(NCc1ccccc1C(F)(F)F)C1CCN(c2nc3ccccc3s2)CC1 589304544 VJKDRCQSSNMNSX-UHFFFAOYSA-N 419.472 4.848 0 40 HJAB Cc1c(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)[nH]c2c1C(=O)CCC2 641893983 HTEAGMLRSZMVGO-UHFFFAOYSA-N 404.514 4.637 0 40 HJAB O=C(N1CC[C@@H](C(F)(F)F)c2ccccc21)C(F)(F)n1cc(-c2ccccc2)nn1 1523479158 VMBRYSWGZRIIGO-OAHLLOKOSA-N 422.357 4.577 0 40 HJAB CC(C)S(=O)(=O)N1CCC([C@@H]2CCCCN2Cc2ccc3ccccc3c2)CC1 2056225145 FGQAKNSMFPLZTN-DEOSSOPVSA-N 414.615 4.645 0 40 HJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N(C)Cc2ccccc2)cc1 704061 ISKZNXOVXZFOSG-UHFFFAOYSA-N 408.479 4.712 0 40 HJAB CCc1c(C)sc(NC(=O)COc2ccc(Cl)cc2Cl)c1C(=O)OC 799326 DIGPIYJJQBQJRF-UHFFFAOYSA-N 402.299 4.730 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 882113 PEEANMQODCIZNV-UHFFFAOYSA-N 403.463 4.636 0 40 HJAB O=C(CN1C(=O)CN=C(c2cccs2)c2c1sc1c2CCCC1)c1ccccc1 930374 AKOUJTNLVGZDEO-UHFFFAOYSA-N 420.559 4.755 0 40 HJAB COc1ccc(C(=O)[C@H](OC(=O)c2ccc(Br)o2)c2ccccc2)cc1 990832 QLZDLLAEKFONRK-LJQANCHMSA-N 415.239 4.832 0 40 HJAB O=C(CCc1ccccc1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1 1366274 RSXSEENKTNJKNX-UHFFFAOYSA-N 417.534 4.681 0 40 HJAB CCOc1cc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)ccc1OC(C)=O 1444725 ISDLTBSNILPQQZ-CPNJWEJPSA-N 407.466 4.653 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCc2ccccc21 2655552 ODCJJKRWNROVNX-UHFFFAOYSA-N 406.507 4.593 0 40 HJAB CCOC(=O)c1cc(-c2ccc(Cl)cc2)[nH]c1N1CCN(c2ccccc2)CC1 3108071 YAPDRLINWHUGSW-UHFFFAOYSA-N 409.917 4.838 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)c2ccc3c(c2)OCCO3)c2ccccc2)c1 3379094 PIBUBNCOTIVQKO-HSZRJFAPSA-N 417.461 4.611 0 40 HJAB O=C(c1ccc(F)cc1)N1CCCC[C@H](Sc2nc3ccccc3s2)C1=O 3415979 ANAIHIOVNGBOIV-KRWDZBQOSA-N 400.500 4.749 0 40 HJAB CC(=O)Nc1cccc(NC(=O)COc2ccc3cc(Br)ccc3c2)c1 3477020 ZDEVLLODQMITKT-UHFFFAOYSA-N 413.271 4.578 0 40 HJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H](C(=O)O)[C@@H]([C@@]3(C)CCCC[C@H]3C(=O)O)CC[C@]12C 3850286 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LEUOGHHVTRAPFC-UHFFFAOYSA-N 415.873 4.801 0 40 HJAB CSC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)N=C1c1ccc(C)c(C)c1 7003008 RDEQAXKJAXUKKW-UHFFFAOYSA-N 412.603 4.702 0 40 HJAB Cc1ccc(C(=O)Nc2c(C(=O)c3ccc4c(c3)OCCO4)oc3ccccc23)cc1 7616159 OOXDXRNOVDGZLH-UHFFFAOYSA-N 413.429 4.996 0 40 HJAB O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1cc2c(cc1Br)OCO2 8424889 IROABDRZLIMRJC-IUXPMGMMSA-N 422.234 4.676 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1 8959237 SRMDUAIFLSQMCM-UHFFFAOYSA-N 410.514 4.745 0 40 HJAB CCOC(=O)c1cnc2nc(SCc3ccc(Cl)cc3)nn2c1-c1ccccc1 9340762 RUDXZDUXVQDOEB-UHFFFAOYSA-N 424.913 4.914 0 40 HJAB Cc1nc(C)c(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)s1 9592011 TUTSLRKMOPMPKR-RMKNXTFCSA-N 406.507 4.891 0 40 HJAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(Cl)c4)cc3n2)cc1 9659712 WQUVCNOFODIOQG-UHFFFAOYSA-N 422.872 4.652 0 40 HJAB CSc1ccccc1NC(=O)CCCn1nc(-c2ccc(Cl)cc2)ccc1=O 12440904 OADQICYCZCIIGO-UHFFFAOYSA-N 413.930 4.705 0 40 HJAB COC(=O)c1ccc(C)c(NC(=O)c2c(C)nc(-c3cccs3)nc2SC)c1 12819356 DEZFJTOKAWQWEB-UHFFFAOYSA-N 413.524 4.583 0 40 HJAB Cc1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)c(C)c1 12820800 VKXDJRQCRNSVKU-CCEZHUSRSA-N 423.516 4.782 0 40 HJAB C[C@H](c1nc(C(C)(C)C)no1)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12987507 OEDFXVSYRVARTM-SNVBAGLBSA-N 418.847 4.671 0 40 HJAB Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1C 13070320 CBFHCCJNPQATRI-AWEZNQCLSA-N 408.329 4.508 0 40 HJAB Cc1nn2c(=O)c(Cc3ccc(Br)cc3)c(C)[nH]c2c1-c1ccccc1 13828457 QHOYIGQICBVDDF-UHFFFAOYSA-N 408.299 4.660 0 40 HJAB O=C(N[C@@H]1CCCc2c1cnn2Cc1cccc(Cl)c1)c1cc(-c2ccco2)on1 19293442 CGWZVXZZDWTDHI-QGZVFWFLSA-N 422.872 4.640 0 40 HJAB Cc1nc2sc(C(=O)Nc3nc(-c4cc(C)sc4C)cs3)c(C)c2c(=O)[nH]1 19719007 URWSTMOHTQVYMU-UHFFFAOYSA-N 416.553 4.656 0 40 HJAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)NC3CCCCC3)cc12 19825012 OWVVKQCYWAMUFO-UHFFFAOYSA-N 407.514 4.782 0 40 HJAB CCCN(CCC)c1nc(N[C@@H](C)CC)nc(OC(C(F)(F)F)C(F)(F)F)n1 21260956 JEPCXPPVCWBAGO-JTQLQIEISA-N 417.398 4.580 0 40 HJAB O=C(CSc1nnc(Nc2cccc(F)c2)s1)N1CCC[C@H]1c1cccs1 22172390 VTUJODYPTAQGDE-AWEZNQCLSA-N 420.560 4.938 0 40 HJAB COc1ccc(CCNC(=O)[C@@H](C)SCc2c(C)cc(C)c(C(C)=O)c2C)cc1 25691152 OHXPEAYIXMIIRY-LJQANCHMSA-N 413.583 4.804 0 40 HJAB Cc1ccccc1OCc1ccc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)o1 28229574 OKYPPKBUXNMNRS-UHFFFAOYSA-N 405.429 4.803 0 40 HJAB CCCCc1ccc(-c2csc(NC(=O)c3cnc4ccc(C)cn4c3=O)n2)cc1 30576431 YIJLITPSKNGPRU-UHFFFAOYSA-N 418.522 4.721 0 40 HJAB C[C@@H](NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1 32862962 CHPUDKYHFOFVRZ-VXGBXAGGSA-N 415.342 4.518 0 40 HJAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@H](C)c1cc2ccccc2o1 32908179 QKPPPGYQTHQVAY-GFCCVEGCSA-N 409.511 4.581 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1nn(-c2ccccc2F)cc1Br 32932059 KXXZTOJCIGFMOL-UHFFFAOYSA-N 408.658 4.988 0 40 HJAB Cc1ccc(NC(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1C 33326024 MYICWKPRIDLERX-IBGZPJMESA-N 407.539 4.996 0 40 HJAB CCCn1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3CC)n1 36613614 BRPSKSPYWQPAIV-UHFFFAOYSA-N 402.502 4.594 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)C(=O)OC4)c3ccccc3n2)cc1 36636117 HBPVPDZWWPDMND-UHFFFAOYSA-N 410.429 4.833 0 40 HJAB CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)c1 36791016 KUBMJRGXRVGUPM-UHFFFAOYSA-N 423.538 4.765 0 40 HJAB CCN(CC)CCOc1ccccc1NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 40104520 VTSBTSIRCWRUQG-UHFFFAOYSA-N 424.520 4.618 0 40 HJAB CN(c1ccccc1)c1ccccc1NC(=O)c1cc(S(C)(=O)=O)ccc1Cl 40114506 JNSZOMSCTSCCAX-UHFFFAOYSA-N 414.914 4.764 0 40 HJAB CCOc1ccc(-c2cc(C(=O)NC[C@@H](C)Oc3ccc(Cl)cc3)no2)cc1 41155629 BGNRVBCEWSFAKU-CQSZACIVSA-N 400.862 4.591 0 40 HJAB CCN(C(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1ccc2ccccc2c1 50380594 AWIOHNZDTYCFEW-UHFFFAOYSA-N 416.521 4.510 0 40 HJAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3ccsc3c2=O)cc1C 57428525 CHDVFWNRYFXFFR-UHFFFAOYSA-N 421.547 4.795 0 40 HJAB CC(C)Oc1ncc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1Cl 59420949 MWCXUZXHUFDNFI-UHFFFAOYSA-N 405.882 4.961 0 40 HJAB O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)c1ccc2c(c1)COC2 64386969 BIDRWVHKNBXDCO-UHFFFAOYSA-N 418.621 4.986 0 40 HJAB Cc1ccc(Cl)cc1/N=c1\oc2cc(O)ccc2cc1C(=O)NCc1ccco1 67299321 PCGBEIIMLIBKOX-LVWGJNHUSA-N 408.841 4.856 0 40 HJAB CCc1ccccc1NC(=O)CN1CCCN(C(=O)OC(C)(C)C)c2ccccc21 78969648 VWXFLJGFDCKDOT-UHFFFAOYSA-N 409.530 4.839 0 40 HJAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 96295708 KHHCYVQXMCAFRN-FSSWDIPSSA-N 418.880 4.700 0 40 HJAB CCCCCCn1c(=O)c(C(=O)Nc2ccc(OCC)cc2)c(O)c2ccccc21 100707326 ZDLOVZTVVGOEOP-UHFFFAOYSA-N 408.498 4.938 0 40 HJAB S=C(Nc1cccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100999077 IDCCYCFBXABYHM-DIZUZXFTSA-N 414.644 4.637 0 40 HJAB C[C@@H]1[C@@H](NC(=O)CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CCC[C@H]1C 103140303 BOQRVJRRDQKUTH-MSYCTHLASA-N 408.542 4.925 0 40 HJAB CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 103718709 YAOQQXMIJWJEBK-OAHLLOKOSA-N 420.431 4.876 0 40 HJAB Cc1ccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 113938005 CWUFGWBPSVKLDU-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB COc1ccc(CNC(=O)CC(c2ccccc2)c2ccccc2)c(OC)c1OC 219126248 PABMHIJGMYDNFG-UHFFFAOYSA-N 405.494 4.551 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCC1 223790537 RCYGWIDSUCNSAP-GOSISDBHSA-N 412.961 4.667 0 40 HJAB CC(C)c1ccccc1OCCNC(=O)[C@H](C)Oc1ccc(Br)cc1 223797527 LNJNZMMGECGZLY-HNNXBMFYSA-N 406.320 4.535 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 223809165 ZUMZIHWOMUUOIZ-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(F)(F)F)c2)c(Cl)c1Cl 224618037 RJTSSYBWERTTIR-UHFFFAOYSA-N 414.232 4.846 0 40 HJAB CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1 224741718 KJKDIMKJBZHHBO-UHFFFAOYSA-N 410.333 4.596 0 40 HJAB O=C(Nc1c(F)cccc1F)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 408545329 KJHUJCZRZDAHJQ-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB O=C(COc1ccc(C2CCCCC2)cc1)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 408563602 PVNRSGVBNFRZJG-GHTZIAJQSA-N 424.463 4.752 0 40 HJAB Cc1ccc(C)c(OCC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1 408714674 UWSDOAPIKQORDG-UHFFFAOYSA-N 407.514 4.688 0 40 HJAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC[C@H](C)c3ccc(F)cc3)c12 512818633 WMGQBAVVHXFSMY-HNNXBMFYSA-N 402.473 4.616 0 40 HJAB CC(C)NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 674860 FYVPFNWDTUUMHG-OCCSQVGLSA-N 421.250 4.988 0 40 HJAB Cc1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1F 918242 GMXOZFVHJXKUDP-UHFFFAOYSA-N 404.323 4.708 0 40 HJAB Cc1cc(C)c2oc(-c3cccc(NC(=S)NC(=O)c4cccnc4)c3)nc2c1 977583 FOPRHRQZBLMDMW-UHFFFAOYSA-N 402.479 4.633 0 40 HJAB COc1ccccc1NC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 1224235 GXBZMKLPHHEKPF-UHFFFAOYSA-N 421.566 4.987 0 40 HJAB O=C(COC(=O)CSc1nc2ccccc2s1)Nc1cccc2ccccc12 1446264 CCLSQWSXVIHYHN-UHFFFAOYSA-N 408.504 4.724 0 40 HJAB CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CC)NC(=O)OC(C)(C)C)ccc12 2092225 LSRHBMLQLKYXQY-KRWDZBQOSA-N 417.502 4.653 0 40 HJAB biogenic Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)cc1 2103503 QDZWRSVFLOXFHL-UKILVPOCSA-N 421.500 4.955 0 40 HJAB biogenic O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCc1ccccc1Cl 2151871 YLWHSRUWEDQASC-UHFFFAOYSA-N 419.864 4.809 0 40 HJAB biogenic COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 2416915 PPXPAVHLJANHNA-JOCHJYFZSA-N 415.445 4.757 0 40 HJAB CCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Br)cc1 2461110 NWLZULOBCXSSHE-UHFFFAOYSA-N 414.302 4.642 0 40 HJAB COc1ccc(N2C(=O)c3ccccc3NC23CCN(Cc2ccccc2)CC3)cc1 2631605 IHUHPNCUCGWRKP-UHFFFAOYSA-N 413.521 4.760 0 40 HJAB CCc1ccc(OCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1 4386046 WGUOJDZPGYBDES-LJQANCHMSA-N 405.542 4.792 0 40 HJAB COc1ccc(Br)cc1CN1CCC(N(C)Cc2ccccc2)CC1 4614584 KJEWUMPAPSMTOU-UHFFFAOYSA-N 403.364 4.554 0 40 HJAB COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 4715805 STCGKIDPWPTCEK-WIOPSUGQSA-N 416.477 4.955 0 40 HJAB Cc1ccc2nc(-c3ccc(N(C)C)cc3)c(Nc3ccc4c(c3)OCCO4)n2c1 4733633 GWTSWOBKYGRSRS-UHFFFAOYSA-N 400.482 4.891 0 40 HJAB COc1cccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 4937217 OKJWTIUOWAPXBJ-UHFFFAOYSA-N 405.400 4.568 0 40 HJAB C[C@@H]1CCN(C(=O)CSc2nnc(C3CC3)n2C2CC2)c2ccccc2S1 5401269 SNQRKRNORJZDOT-CYBMUJFWSA-N 400.573 4.500 0 40 HJAB Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c1C(=O)OC(C)C 5531319 XEGVHWKWMUAASM-ZNMIVQPWSA-N 407.532 4.562 0 40 HJAB Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c(C)c1 5542336 GTIOUZABPXGMKF-OAQYLSRUSA-N 407.514 4.859 0 40 HJAB biogenic Cc1cc(Cl)ccc1NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 6202900 VUPSKHIDPGCKQD-IBGZPJMESA-N 418.921 4.697 0 40 HJAB CC(=O)Nc1ccc(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)cc1 6561110 FSRRGUAIWAZPGI-FQEVSTJZSA-N 403.507 4.750 0 40 HJAB COc1ccc(C(=O)[C@H](C)Sc2nnc([C@@H](C)Oc3ccccc3F)o2)cc1 7137648 PMFDEGVZSIRZBL-OLZOCXBDSA-N 402.447 4.721 0 40 HJAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnc(C)n1C1CC1 7617849 FDHGENJEXIDVBC-UHFFFAOYSA-N 412.559 4.641 0 40 HJAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1ccc(-c2ccc(Cl)cc2)o1 7898949 XNHQSOBBNFXROD-LJQANCHMSA-N 412.898 4.719 0 40 HJAB O=S(=O)(c1ccc2ccccc2c1)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1 12361502 RJAHLBCQJDKJPB-HSZRJFAPSA-N 424.472 4.713 0 40 HJAB COc1ccc(C)cc1CN(C)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 12798657 JHXIHARMAQOKGJ-UHFFFAOYSA-N 413.477 4.993 0 40 HJAB C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)Cc1nc2ccccc2s1 12979373 IPKIQNSDMSRIHW-GFCCVEGCSA-N 404.333 4.518 0 40 HJAB O=C(CCS[C@H]1CCc2ccccc2N=C1O)NCCc1ccc(Cl)cc1 13689920 GPIRRGGSONHLCH-IBGZPJMESA-N 402.947 4.725 0 40 HJAB Cc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)n2)cc1 14014848 RWVXMOBMSAIJLE-GOSISDBHSA-N 418.522 4.951 0 40 HJAB CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2OC)CC1=O 14095086 IJFWNUOAMPEULN-LJQANCHMSA-N 421.541 4.630 0 40 HJAB CCCCCCOC[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]12 16036572 OXLUIJSXMUVGQM-VNXMGFANSA-N 424.578 4.828 0 40 HJAB biogenic Cn1ccnc1[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1 16262979 CRUYYQAENYJSKV-HXUWFJFHSA-N 409.848 4.992 0 40 HJAB COc1ccc(CCNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 17154435 LZALVOGAJRDSNM-UHFFFAOYSA-N 423.513 4.575 0 40 HJAB CC(C)c1ccc(CN2CCC(c3cc(C(=O)NCc4cccnc4)on3)CC2)cc1 19453192 DKFKVTWRJYNJCO-UHFFFAOYSA-N 418.541 4.503 0 40 HJAB COc1ccccc1CN1CCC[C@H](c2noc3nc(C)cc(C(F)(F)F)c23)C1 19568917 IZRJIWHUCBMYPR-HNNXBMFYSA-N 405.420 4.938 0 40 HJAB COc1ccc([C@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1 20044535 UNNCUKZNEZFYGZ-AWEZNQCLSA-N 406.320 4.837 0 40 HJAB COc1ccc(OC)c2[nH]c(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)cc12 20721893 YKSRONSHINPDRX-UHFFFAOYSA-N 409.873 4.518 0 40 HJAB biogenic Cc1ccc(C)c2c(=O)cc(CSc3nnc(NC(=O)c4ccccc4)s3)[nH]c12 21099271 XFMZZXBRUTUCEI-UHFFFAOYSA-N 422.535 4.541 0 40 HJAB Cc1cc(-c2cc(C(=O)Nc3ncccc3O)c3cnn(C(C)C)c3n2)c(C)s1 22102354 RPBJCRPCYGGAAH-UHFFFAOYSA-N 407.499 4.710 0 40 HJAB Cc1sc2nc(COC(=O)c3cc4c(s3)-c3ccccc3OC4)[nH]c(=O)c2c1C 22357328 AODKSIJJGIBHFA-UHFFFAOYSA-N 424.503 4.579 0 40 HJAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)CCCn1c(C)csc1=O 26390501 APQIHNIFNYPFNH-UHFFFAOYSA-N 415.481 4.502 0 40 HJAB Cc1cccc(Cn2cc(Br)c(NC(=O)c3cc(F)ccc3F)n2)c1 28228865 MDHMWOKZTGMMNS-UHFFFAOYSA-N 406.230 4.533 0 40 HJAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 29479506 YUPNGSHEPTYICV-UHFFFAOYSA-N 416.493 4.521 0 40 HJAB C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(Br)c1 32803395 DSVXYVLSENRISF-AWEZNQCLSA-N 422.754 4.695 0 40 HJAB Cc1ccc([C@@H](NC(=O)c2ccc(C(F)(F)F)nc2O)c2ccccc2)cc1C 32904980 XTIWPOFJBWRZHY-IBGZPJMESA-N 400.400 4.942 0 40 HJAB O=C(c1ccccc1CCc1ccccc1)N1CCC[C@H](c2nnc3ccccn23)C1 32906610 WGHPFIAHAIJDLP-QFIPXVFZSA-N 410.521 4.534 0 40 HJAB CCCc1n[nH]c(SCc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)n1 32907142 UQIZGRYKAAJJBB-UHFFFAOYSA-N 401.561 4.807 0 40 HJAB CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(C)c3)c3ccccc3C2=O)cc1 34761846 AAMWSIXITFGAKM-XQNSMLJCSA-N 411.457 4.899 0 40 HJAB O=C(Nc1ccccc1CN1CCc2ccccc21)c1ccc(NC(=O)C2CC2)cc1 40150910 ROTVIFMLOIUFHG-UHFFFAOYSA-N 411.505 4.850 0 40 HJAB O=C(Nc1nc(-c2ccco2)cs1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 48234729 KWXKMJBXTGBQRF-LBPRGKRZSA-N 422.432 4.672 0 40 HJAB CN(C)[C@@H](CNC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1cccs1 62580825 TXWDBRGBWAWUCZ-RXVVDRJESA-N 411.596 4.770 0 40 HJAB O=C(/C=C/c1ccc(I)o1)N(C1CC1)[C@H]1CCc2ccccc21 64809826 SOWJYNUMIDBANH-KQPPXVQYSA-N 419.262 4.576 0 40 HJAB Cc1sc2nc(-c3cccs3)nc(N3CCC[C@@H](C4OCCO4)C3)c2c1C 69221999 HLRZRGJOSXJAEJ-CQSZACIVSA-N 401.557 4.626 0 40 HJAB Cc1ccc(C(=O)N[C@H]2CCc3ccccc3C2)cc1NC(=O)c1ccccc1F 71847877 IXMNAVDWLBZJMQ-FQEVSTJZSA-N 402.469 4.674 0 40 HJAB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)Cc1csc(-c2ccccc2Cl)n1 84637069 GXAWVBNAJRJYGA-IFXJQAMLSA-N 400.931 4.634 0 40 HJAB CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118919852 AELZDZIWKOZSSW-RYUVVSRQSA-N 418.574 4.709 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 222785087 HIMHIFSAZFUSOD-MRXNPFEDSA-N 418.990 4.764 0 40 HJAB COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(Cl)c1Cl 223422401 PSZPDVFRJQDMCK-CYBMUJFWSA-N 402.343 4.967 0 40 HJAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(Cc2ccncc2)cc1 224214620 UEYUEUWIDRUIHE-UHFFFAOYSA-N 407.322 4.921 0 40 HJAB CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1CSc1ccc(Cl)cc1 224678892 LZKSMHXQTRJCHD-UHFFFAOYSA-N 418.990 4.809 0 40 HJAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225705379 CQIJSIGCLKFXIN-JOCHJYFZSA-N 423.582 4.685 0 40 HJAB CC[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(S(C)(=O)=O)cc1 225723008 YQIFHSCEMJNCTO-MRXNPFEDSA-N 416.490 4.547 0 40 HJAB Cc1cc(N)c(NC(=O)c2cccc(Br)c2)cc1N1CCCC[C@H]1C 226330309 RHFXOHCDWWUUMN-CQSZACIVSA-N 402.336 4.971 0 40 HJAB COc1ccc(/C=C(/C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2)cc1 408920202 BAWVLDOWMGOPOO-FCDQGJHFSA-N 416.496 4.724 0 40 HJAB CN1c2ccccc2Sc2cc(/C=c3/sc4nc5ccccc5n4c3=O)ccc21 409145313 NOJPZAVUEFNXAF-FYJGNVAPSA-N 413.527 4.689 0 40 HJAB CCn1nc(C2CC2)cc1C(=O)N1CCCCCCCN(C(C)=O)c2ccccc2C1 643553232 FAZMJXYSYZBFPW-UHFFFAOYSA-N 422.573 4.740 0 40 HJAB O=S(=O)(NCc1cc(-c2ccsc2)cs1)c1ccccc1Br 1775971140 GBOMZLAKEYUIMX-UHFFFAOYSA-N 414.371 4.718 0 40 HJAB CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cccc(C)c1 976328 DGEJQYIPAVEXTD-MRXNPFEDSA-N 408.527 4.595 0 40 HJAB CCOc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1 1016738 MBSQJBJBAGHWPD-UHFFFAOYSA-N 408.461 4.842 0 40 HJAB CCNC(=O)c1c(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc2c1CCCC2 1159727 HOHXVESMVPHCQO-XHDPSFHLSA-N 415.386 4.906 0 40 HJAB Cc1[nH]c2ccc(-c3nnc(SCC(=O)N4c5ccccc5C[C@H]4C)o3)cc2c1C 1223299 NPJVAUJWWUFMOR-CYBMUJFWSA-N 418.522 4.905 0 40 HJAB Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccccc2)C4)c1 2200690 DOYUWHKAGHBDRY-SFHVURJKSA-N 400.507 4.638 0 40 HJAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(OC(C)C)c2)c1 2212990 DVJCDMMXNPSNAV-UHFFFAOYSA-N 419.934 4.603 0 40 HJAB Cc1ccccc1O[C@@H]1C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 2740863 SRBMJECEOPMKOG-PKTZIBPZSA-N 421.880 4.908 0 40 HJAB CCOc1ncccc1C(=O)N(CCc1ccccc1)c1nc2ccccc2s1 3344834 QQIHQZPLHHFAPZ-UHFFFAOYSA-N 403.507 4.980 0 40 HJAB O=C(Cc1ccc(Br)cc1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 3360683 RWBDDJVXNTXYTO-UHFFFAOYSA-N 421.290 4.989 0 40 HJAB CCCN(CC1CC1)C(=O)COc1ccc2c(=O)c(Oc3ccccc3)coc2c1 3361626 DNKMAPICRDFCSK-UHFFFAOYSA-N 407.466 4.613 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 3548677 WXZOGVVKQLASIR-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4n3CCC(C)C)CC2=O)c1 4033560 IZSQFKFGNVPKEU-KRWDZBQOSA-N 407.514 4.620 0 40 HJAB COC(=O)CC[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 4081647 ZHUOOEGSSFNTNP-KVBIGJNOSA-N 406.607 4.566 0 40 HJAB biogenic CCN(CC)CCCNC(=S)c1ccc(OCc2ccc(C)cc2)c(OC)c1 4718052 ZHRKUVNWZSFJJZ-UHFFFAOYSA-N 400.588 4.580 0 40 HJAB COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)c1 5164964 WMMGYLINIRACHC-SQJMNOBHSA-N 416.477 4.955 0 40 HJAB Cc1cc2oc(=O)c(CC(=O)NCc3ccncc3)c(C)c2c2occ(C(C)(C)C)c12 5348400 FIHSNGBCZALBFG-UHFFFAOYSA-N 418.493 4.707 0 40 HJAB COc1cccc(/C=C(/C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c2ccccc2)c1 6052333 IPIOFSASIRPEHU-GSDPAOIFSA-N 421.537 4.720 0 40 HJAB COc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 8287223 BAMKLAYTRPQFIL-OAQYLSRUSA-N 408.885 4.849 0 40 HJAB CC(C)[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc2c(c1)OCCO2 8345295 DJNFKUWHBDCBFY-NRFANRHFSA-N 403.906 4.759 0 40 HJAB COc1ccc(-c2ccc(CNn3c(-c4ccncc4)n[nH]c3=S)o2)cc1Cl 8493149 DLGGYFITUWELOW-UHFFFAOYSA-N 413.890 4.668 0 40 HJAB Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCC2)c(C)c1 8586906 PLTRGJGSWQTNRZ-UHFFFAOYSA-N 423.582 4.837 0 40 HJAB C[C@@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@](C)(C(=O)O)[C@@H]1C[C@H]1Nc2ccccc2C1=O 8616134 LSPRYAWXULXANH-WGYSSRLASA-N 423.553 4.668 0 40 HJAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cccc(C)c1 9002251 RSIWVNQKVWRUOH-UHFFFAOYSA-N 401.509 4.619 0 40 HJAB COc1ccc(CN(Cc2cccs2)C(=O)c2cn3c(C)cccc3n2)cc1OC 9516339 WPAPUALGAOMICI-UHFFFAOYSA-N 421.522 4.564 0 40 HJAB O=C(Nc1nc2c(Cl)cc(Cl)cc2s1)c1ccc(N2C(=O)CCC2=O)cc1 9599504 WNUSMXPEORCPHZ-UHFFFAOYSA-N 420.277 4.509 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccccc2Br)c1 10444130 MOQVPCCYAPCTPS-UHFFFAOYSA-N 422.344 4.806 0 40 HJAB CSc1ccccc1C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 10498845 ZAAMKGRWMVSBQX-UHFFFAOYSA-N 411.552 4.621 0 40 HJAB COc1cccc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)c1 10998803 HFGOGPVHYNMDSN-UHFFFAOYSA-N 415.371 4.957 0 40 HJAB Cn1cccc1CN1CCC2(CC1)C[C@@]1(CO2)Nc2cc(Cl)ccc2-n2cccc21 12086196 KKLXARNVRJOJDV-DEOSSOPVSA-N 422.960 4.545 0 40 HJAB Cc1ccc([C@H](NC(=O)CCc2nnc(-c3ccsc3)o2)c2ccccc2)cc1 12913691 CJCMAXWYBUWYAL-JOCHJYFZSA-N 403.507 4.945 0 40 HJAB CC(=O)c1cccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1 12995708 IFMSHOXMUUVAIX-UHFFFAOYSA-N 400.887 4.759 0 40 HJAB S=C(c1cccc(OCc2ccccc2)c1)N1CCN(Cc2ccccc2)CC1 13547123 DSMRHJXYNDHGDH-UHFFFAOYSA-N 402.563 4.759 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1cccc(F)c1 13956262 OXBKGGUGXIJPJE-UHFFFAOYSA-N 408.861 4.627 0 40 HJAB CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)cc2)CC1 14291112 CCWTURUFYFKACX-UHFFFAOYSA-N 420.340 4.550 0 40 HJAB Cc1ccc(-c2ccsc2C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 14634183 MYBNAPOCGQTHTL-UHFFFAOYSA-N 403.507 4.774 0 40 HJAB COc1ccccc1CN1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)CC1 19575012 VXIJXAWZJXIJMR-AUUYWEPGSA-N 408.468 4.579 0 40 HJAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)C3CCCCC3)C2)c1 19694522 HNCPWAMVNAPXBX-FQEVSTJZSA-N 422.573 4.505 0 40 HJAB Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2)ccc1-c1ccc(CO)o1 20151938 NPJXGRRMUVLABK-UHFFFAOYSA-N 400.887 4.528 0 40 HJAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(Cl)c2)CC1 21578024 DVTJICZWPKOYOI-UHFFFAOYSA-N 420.340 4.694 0 40 HJAB O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1ccc(Br)cc1 27741560 UVDYOMDERXFFJF-QGZVFWFLSA-N 407.377 4.858 0 40 HJAB CC(C)c1noc([C@H](C)Sc2nnc(N3CCCC3)n2-c2ccccc2Cl)n1 27813081 WBIRJLAPYOCMMQ-ZDUSSCGKSA-N 418.954 4.881 0 40 HJAB C[C@H](Oc1ccccc1Br)C(=O)NCc1ccccc1C(F)(F)F 27974872 LASASRXBQFHDQM-NSHDSACASA-N 402.210 4.552 0 40 HJAB O=C(c1ccc(F)c(F)c1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 28210630 YIVZNJGTUKQGNT-UHFFFAOYSA-N 410.439 4.651 0 40 HJAB CC(C)c1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCOCC2)cc1 28290476 FUUQLVJXOIELHU-XMMPIXPASA-N 408.586 4.911 0 40 HJAB Cc1ccc(CNC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1 32578779 MLHTXBVZYOCYES-UHFFFAOYSA-N 413.477 4.716 0 40 HJAB COc1ccc(NC(=O)c2nn(-c3ccccc3Cl)c3c2CCCC3)c(OC)c1 32659276 UGHHXJREVVTDNT-UHFFFAOYSA-N 411.889 4.674 0 40 HJAB COc1ccccc1CNC(=O)COc1cc(-c2ccccc2)nc2ccc(F)cc12 32985786 OFIPOQYBRUHSJB-UHFFFAOYSA-N 416.452 4.745 0 40 HJAB Cc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1Br 33326270 QKFBGCOSFXDCQT-UHFFFAOYSA-N 417.328 4.974 0 40 HJAB Cc1nn(C)cc1-c1cc(C(=O)NCC(C)(C)c2ccccc2F)c2ccccc2n1 35316609 DTJUMDQVMYRNNQ-UHFFFAOYSA-N 416.500 4.790 0 40 HJAB CCCCc1cc(=O)oc2cc(OCC(=O)c3ccc4c(c3)OCCCO4)ccc12 35686472 JQJCZNZQGFYNSB-UHFFFAOYSA-N 408.450 4.559 0 40 HJAB CC(C)(C)c1ccc(COc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)cc1 36092252 OWYZSHZFJJDXCL-SGNKAXLRSA-N 401.506 4.875 0 40 HJAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(OCc2c(Cl)cccc2Cl)cc1 36092261 JMQDJVKWVJQKTP-VUIMYGBESA-N 414.288 4.884 0 40 HJAB O=C(c1ccc(COc2ccc(OC(F)(F)F)cc2)o1)N1CCc2ccccc2C1 36357483 IMAPTHZGZZPGFR-UHFFFAOYSA-N 417.383 4.956 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)Cn1ccc(C(=O)Nc2cc(Cl)ccc2C)n1 36617878 HALCUIGVOCAPKJ-UHFFFAOYSA-N 417.296 4.698 0 40 HJAB O=C(c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1)N1CCCCCC1 38501327 JFENSKUMNDWUBR-UHFFFAOYSA-N 411.452 4.746 0 40 HJAB CCc1cccc2c(/C=C3/C(=O)N(CC)C(=S)N3C)cn(Cc3ccccc3F)c12 39556293 FLPBURXFWUPKQX-BKUYFWCQSA-N 421.541 4.811 0 40 HJAB C[C@H](Nc1nn2cc(-c3ccccc3)nc2s1)c1ccc(NC(=O)C2CC2)cc1 40067619 XWGNRTOGTTUPPB-AWEZNQCLSA-N 403.511 4.979 0 40 HJAB Cc1cc(COC(=O)c2ccccc2Sc2ccc(Br)cn2)no1 40150406 FJVATYSSEFBSDZ-UHFFFAOYSA-N 405.273 4.649 0 40 HJAB Clc1ccccc1CN(CCCn1ccnc1)Cc1ccnn1[C@@H]1CCCCO1 43277789 ONOQWWURLXPNOS-QFIPXVFZSA-N 413.953 4.525 0 40 HJAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)Nc1cc(Cl)c(N)c(Cl)c1 44911636 ILUHNBJSACNJPR-UHFFFAOYSA-N 407.276 4.698 0 40 HJAB COc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079085 IMDADTPNXBYSHL-UHFFFAOYSA-N 404.441 4.680 0 40 HJAB COc1ccccc1CN1CCC(NCc2cc3ccc(C)cc3nc2Cl)CC1 58007836 PMYBNIRWBNLOJD-UHFFFAOYSA-N 409.961 4.959 0 40 HJAB Cc1nc(-c2cccc(NC(=O)C3CN(c4nc5c(F)cccc5s4)C3)c2)cs1 62023153 WNXMXEYKCWNAET-UHFFFAOYSA-N 424.526 4.942 0 40 HJAB Cc1cc2cc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)ccc2[nH]1 72277109 UTWJNZLWVMFFEE-UHFFFAOYSA-N 416.930 4.855 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cccc(Cl)c2F)S1 96117082 BHCBNJYVQWGJGP-MEDUHNTESA-N 409.914 4.985 0 40 HJAB CC1=CC(C)(C)N(C(=O)N[C@@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c2cc(C)c(C)cc21 100119596 MLIZIWCWBQOBSO-QRVBRYPASA-N 423.557 4.536 0 40 HJAB COc1ccccc1Nc1nnc(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)s1 102382988 YBJBOEXIGFMSDN-BYNSBNAKSA-N 420.604 4.712 0 40 HJAB Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccs4)[C@H]3C2=O)c(C)c1 102724029 GGXVKOKJHJWILE-BAGYTPMASA-N 418.518 4.724 0 40 HJAB Cc1ccc(NC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1 113965255 SESOZBYLMOFHEM-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 222493533 QBUFFPCQUFGXHD-QHCPKHFHSA-N 424.585 4.631 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 222589323 BRCCGSDPUYYJKY-QFIPXVFZSA-N 414.977 4.831 0 40 HJAB COc1cc(C)c([C@@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1C(C)C 223271209 NPCKNIGPMHNGEZ-OAHLLOKOSA-N 401.503 4.644 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 223358933 UVPVYEQQUYIATF-HXUWFJFHSA-N 421.368 4.706 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1c1ccc2c(c1)OCO2 224000161 ASEOQTBDKZPSNB-ZWKOTPCHSA-N 415.927 4.702 0 40 HJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)c1 224224613 IYYCXVZRURDBMN-GOTSBHOMSA-N 411.534 4.753 0 40 HJAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 224391820 GHXUMOPQFCWOSF-YADHBBJMSA-N 415.497 4.584 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NC[C@H](C)c1ccccc1 225139687 VRNRHLOTUBYDOB-CEZZIEKDSA-N 404.535 4.747 0 40 HJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 225466086 RZRCJWQOEBZKIZ-SFHVURJKSA-N 406.526 4.598 0 40 HJAB C[C@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 225561335 GJOYWUXCZSGXSI-NRFANRHFSA-N 422.569 4.627 0 40 HJAB CCCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OCC)c2)CCC[C@@H](C)C1 225854038 UGRGAJDWRVMGCA-HXOBKFHXSA-N 405.535 4.965 0 40 HJAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c2cccnc12 225872330 KBVSGCRGPBEKEI-UHFFFAOYSA-N 404.510 4.957 0 40 HJAB O=C(/C=C/c1ccccc1)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C12CCCCC2 257302617 SDOKZHSLGWDMED-HGMGIVORSA-N 400.566 4.993 0 40 HJAB COc1ccc(S(=O)(=O)N(Cc2cccc(Cl)c2)c2ccccc2F)cc1 408627663 OKPQATAYZPTWMQ-UHFFFAOYSA-N 405.878 4.883 0 40 HJAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cc(Cl)ccc3C)C(=O)[C@H]2C1 408687086 UFDRJCFWCASCPL-AEFFLSMTSA-N 408.885 4.746 0 40 HJAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1occc1Br 408713990 FUKIUVDGNLAAQY-UHFFFAOYSA-N 418.291 4.662 0 40 HJAB Cc1ccc(C)c(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1 409111237 BOIGVRWPIWUAKF-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB CC(C)(C)CCN1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 514289881 PQOJWYDJWSGHQJ-SXWKCWPCSA-N 418.578 4.620 0 40 HJAB biogenic,in-vitro Cc1ccc(Cc2noc(-c3ccccc3OCC(=O)Nc3ccccc3F)n2)cc1 517201108 RJNQCGSOOTUABJ-UHFFFAOYSA-N 417.440 4.792 0 40 HJAB Cc1nn(CCNC(=O)Cc2cccc(C(F)(F)F)c2)c(C)c1-c1ccsc1 575615255 NFAZWKUALFYMAH-UHFFFAOYSA-N 407.461 4.606 0 40 HJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 585319012 FYFXIYHOEVBRJW-OAHLLOKOSA-N 402.285 4.731 0 40 HJAB CCCn1c(SCc2nc(Cc3cccc(C)c3)no2)nc2ccc(F)cc2c1=O 823026483 JXRDNYFQXMDHNI-UHFFFAOYSA-N 424.501 4.520 0 40 HJAB O=C(Cc1cc2cc(Cl)ccc2[nH]1)Nc1ccnn1Cc1ccc(Cl)s1 1618224175 YJEFWZNHEBLSLH-UHFFFAOYSA-N 405.310 4.962 0 40 HJAB O=C(CSc1nnc(-c2cccnc2)n1CCc1ccccc1)OC1CCCCC1 890259 ZLQMFSXCWTVEIW-UHFFFAOYSA-N 422.554 4.551 0 40 HJAB COc1ccc2nc(-c3ccccc3)nc(SCC(=O)N3CCC(C)CC3)c2c1 917217 KKQWYEQHTVCWSB-UHFFFAOYSA-N 407.539 4.656 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccco2)cc1 2443339 XXSNIIWWLUXKHH-UHFFFAOYSA-N 422.485 4.765 0 40 HJAB O=S(=O)(NCCOc1ccc(Cl)cc1)c1ccc2oc3ccccc3c2c1 2622222 GAAVDKZIRMKLSP-UHFFFAOYSA-N 401.871 4.597 0 40 HJAB COc1ccc(C(=O)c2cn(Cc3cccc(OC)c3)c3ccc(C)cc3c2=O)cc1 2691881 RNPVADUEKHOFRB-UHFFFAOYSA-N 413.473 4.606 0 40 HJAB Cc1cc(OC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc(C(C)C)c1 3289168 RGODASCKWCCKKG-UHFFFAOYSA-N 420.486 4.715 0 40 HJAB C[C@@H](C(=O)N1CCCCCC1)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 4747654 DGEQBRZNDBKFGR-UUOWRZLLSA-N 415.537 4.515 0 40 HJAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(-c2ccc3nncn3n2)cc1 5168717 LONUUEMIGAXWLC-UHFFFAOYSA-N 405.461 4.640 0 40 HJAB Cc1ccccc1CNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 5711663 NDGREHDGECTHID-VWLOTQADSA-N 416.546 4.699 0 40 HJAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1ccc(N2CCCC2)cc1 6159887 YRBOMELYWOCWGJ-UHFFFAOYSA-N 423.896 4.797 0 40 HJAB Cc1ccccc1N1C(=O)c2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2C1=O 6231886 OINBTEOAEMGPAP-QFIPXVFZSA-N 410.473 4.603 0 40 HJAB CCCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 6240893 JKFFMLFYVRQUKO-UHFFFAOYSA-N 422.447 4.973 0 40 HJAB Cc1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c1 6352380 VFWCNICWPNYNTF-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1 6563778 WDCAXDBBUVPLPS-UHFFFAOYSA-N 411.571 4.839 0 40 HJAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8071380 RROILWGVVMZVGR-UYAOXDASSA-N 422.550 4.874 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C 8230133 PUIQJPLEFQXMOU-UHFFFAOYSA-N 409.555 4.654 0 40 HJAB CN(Cc1nc2ccccc2s1)C(=O)c1cccc(NC(=O)c2cccs2)c1 8265956 YPNIGMUYIAWDGA-UHFFFAOYSA-N 407.520 4.882 0 40 HJAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2ccccc2c1)c1ccc(Cl)cc1 8477675 ZNTNLJRPJAOBAT-UHFFFAOYSA-N 416.930 4.678 0 40 HJAB COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)c1ccccc1 9250150 WRDMHMFVKGZNFI-UHFFFAOYSA-N 406.507 4.934 0 40 HJAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1nc2ccccc2n1C(F)F 9336012 BUVBKHIGDSXBBK-ZDUSSCGKSA-N 401.438 4.624 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(F)cc1 9377764 FOSKVIUILMFLPQ-QHCPKHFHSA-N 413.452 4.703 0 40 HJAB Cc1occc1-c1nnc(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1C 9512793 MVDNKJBGBQXVGT-IBGZPJMESA-N 422.485 4.995 0 40 HJAB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc5c(c4)OCCO5)cc3)oc2cc1C 10120386 KPKQTIVBRAXBDS-UHFFFAOYSA-N 414.461 4.813 0 40 HJAB CC(C)c1ccccc1NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 12195061 VCAOEFMVFQSQEY-UHFFFAOYSA-N 406.935 4.646 0 40 HJAB O=C1C[C@H](c2ccsc2)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 12374649 RDLIBQXEQYHTNP-CYBMUJFWSA-N 409.941 4.770 0 40 HJAB O=C(Nc1ccc(Br)cc1)c1cccc(OCc2cn3ccccc3n2)c1 12559343 XVVBGQGFWAILHO-UHFFFAOYSA-N 422.282 4.928 0 40 HJAB CCc1ccc(-c2nc3n(n2)C(=O)N[C@@](c2ccccc2)(C(F)(F)F)S3)cc1 12788561 KMZVVLJISSNSRT-GOSISDBHSA-N 404.417 4.586 0 40 HJAB O=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)Nc1ccccc1Cl 12878476 DNINSJYMJYCLQB-UHFFFAOYSA-N 418.906 4.981 0 40 HJAB Cc1ccc(NC(=O)Cc2nc(-c3cc(C)n(C[C@H]4CCCO4)c3C)cs2)cc1 14168245 JPRQJCQDPAWBLE-LJQANCHMSA-N 409.555 4.897 0 40 HJAB COc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccccc2F)cc1 15412786 LUQZLBMBNDHPJD-XMMPIXPASA-N 418.468 4.572 0 40 HJAB Cc1cccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCN(Cc2ccccc2)C4)c1 19819701 UQGGKZNKLSRHCA-UHFFFAOYSA-N 419.575 4.977 0 40 HJAB COc1cc(C)c(CN2CCN(C(=O)Nc3cccc4ccccc34)CC2)cc1OC 22893019 JRDBLGHAHZALFP-UHFFFAOYSA-N 419.525 4.515 0 40 HJAB CC(C)NC(=O)NCc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1 24377124 PFIXNRYRLWAZHX-UHFFFAOYSA-N 407.558 4.822 0 40 HJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnn2c(-c3cccs3)ccnc12 31780570 YADILYKXSFKHTR-UHFFFAOYSA-N 404.373 4.609 0 40 HJAB Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)c1cccc(Br)c1 32610397 UCLRFSLKUIJTBT-UHFFFAOYSA-N 418.266 4.690 0 40 HJAB COc1ccc(CCCC(=O)OCC(=O)c2ccc(Br)cc2)cc1C 33563330 MZORWZYIZNPENX-UHFFFAOYSA-N 405.288 4.515 0 40 HJAB COc1cccc(C2C(C(=O)OC(C)(C)C)=C(C)NC(C)=C2C(=O)OC(C)(C)C)c1 33713711 QSHXOULNCCJOEG-UHFFFAOYSA-N 415.530 4.613 0 40 HJAB Cc1cc(C(=O)CSc2nnc([C@@H]3COc4ccccc4O3)n2C)c(C)c(C)c1C 36849958 FKRZOXMVVUEVEE-NRFANRHFSA-N 423.538 4.536 0 40 HJAB CCN(Cc1cccc(NC(=O)CSc2ccc(C)cc2)c1)C(=O)C(F)(F)F 40090459 CZADXWLJSMJXTD-UHFFFAOYSA-N 410.461 4.637 0 40 HJAB Cc1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1S(C)(=O)=O 40140447 SDOYWQOIMCUEON-UHFFFAOYSA-N 422.531 4.928 0 40 HJAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NCCCCCC(=O)O 40266264 KVUNRMVEKLPASF-UHFFFAOYSA-N 401.315 4.800 0 40 HJAB CC(C)c1ccccc1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCCCC2 71328002 GOPMCUMVVRIWOA-UHFFFAOYSA-N 403.526 4.740 0 40 HJAB COc1ccc(Cc2cccc(C3CCN(C(=O)Cc4ccccc4)CC3)n2)cc1 72349017 OGYSLXRNGNNAGV-UHFFFAOYSA-N 400.522 4.630 0 40 HJAB Cc1ccc(OCc2nc3ccccc3n2C[C@@H](O)COc2cc(C)ccc2C)cc1 82086806 GBOJWAQKHRYPSP-OAQYLSRUSA-N 416.521 4.980 0 40 HJAB O=[S@@](Cc1cccc(C(F)(F)F)c1)Cc1cc(Cl)c2c(c1)OCCCO2 84364562 AFUGHAIPVYKGFZ-AREMUKBSSA-N 404.837 4.969 0 40 HJAB CCN(CC)c1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(Br)cc3)C2)cc1 97104973 XHLISPFNNIYWSH-OAQYLSRUSA-N 414.347 4.993 0 40 HJAB CCC(=O)OC[C@@]12CO[C@H](c3ccccc3OC(=O)CC)[C@H](C(C)=C[C@@H]1C)[C@@H]2C 100571483 SILOCWNFXQCZOK-QKRAAVLZSA-N 400.515 4.861 0 40 HJAB CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c2c1 100792642 YOFPIQPIAWDZSZ-GSMBIVSISA-N 411.546 4.789 0 40 HJAB COC(=O)c1c(C)[nH]c(-c2cccc(OC)c2)c1[C@H]1C(=O)Nc2c(Cl)cccc21 101623045 IEKSDNZOFMSZEY-KRWDZBQOSA-N 410.857 4.523 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 222446403 RHEWBOSVDKKTEN-XMMPIXPASA-N 424.585 4.829 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 222601621 KWPPZBOFCBRKGQ-QPPBQGQZSA-N 408.586 4.611 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 222996938 UPZQVHIDYYXYCL-FQEVSTJZSA-N 412.599 4.562 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 223814164 GDRALQGPTQGTJP-GOSISDBHSA-N 412.961 4.667 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3C)cc2)cc1 223971967 QKBBSEGUWWCKQN-GOSISDBHSA-N 408.523 4.595 0 40 HJAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)cc1C 224188947 BLDIDHPKZCBDBM-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCCc1ccccc1Cl 224527382 NOTIGMCAKFXRKH-JWGURIENSA-N 422.912 4.761 0 40 HJAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C 224527976 NEUMMCRFSIGHSG-FGZHOGPDSA-N 406.555 4.706 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C(C)C 224599731 IOLMIEAIRWXGDM-YADHBBJMSA-N 406.555 4.964 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 224799335 GTYAEFIOLOKNJM-SFHVURJKSA-N 400.950 4.525 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 225132549 MFJJHPKUFSFLTJ-NRFANRHFSA-N 418.940 4.664 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 225194810 ZDSBUKMCKMGQDS-OALUTQOASA-N 414.977 4.831 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=S)NCCSCc2cccc(C)c2)c1 225338216 AUCRGCDWUBCRHL-UHFFFAOYSA-N 408.976 4.655 0 40 HJAB O=C1CCCN1c1ccc(NC(=S)NCCCSCc2ccc(F)cc2)cc1 225616008 VZKJSNHNNWVKFP-UHFFFAOYSA-N 417.575 4.562 0 40 HJAB CCOCCOc1ncc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C 225863632 UOIDDDJHTBAXQW-UHFFFAOYSA-N 402.922 4.909 0 40 HJAB Cc1ccc(O[C@H]2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)nc1 238901858 ROJCMFMRTAPLAI-HNNXBMFYSA-N 418.337 4.721 0 40 HJAB CNc1cc(C)nc([C@]2(C)CCCN(C(=O)C(c3ccccc3)c3ccccc3)C2)n1 257226491 FKUJKKQFCCXHBA-AREMUKBSSA-N 414.553 4.539 0 40 HJAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3cccnc3)CC2)n1 257230131 GAYJDZZEGOKBID-KESTWPANSA-N 415.541 4.761 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCN3CCCC[C@H]3C)cc2)CCC[C@@H](C)C1 260812498 DFNLXPQWIMXCRU-YOSAUDMPSA-N 402.579 4.864 0 40 HJAB O=C(c1ccsc1)N1C[C@@]2(CCN(Cc3cccc(Cl)c3)C2)c2ncccc21 306136826 QEMAVTSWHAIFMT-QFIPXVFZSA-N 409.942 4.601 0 40 HJAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)c4ccc(C)cc4)C3=O)c[nH]c12 409124694 CCNKYXSLAPQPFO-JAIQZWGSSA-N 404.491 4.958 0 40 HJAB Cc1ccc(F)cc1NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl 409181454 ASMIMYKPXIMJOX-UHFFFAOYSA-N 415.804 4.656 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O 409352385 CGEHYKBYFJPPEF-HYZSBJHASA-N 412.898 4.880 0 40 HJAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2cccc(Cl)c2)C1 585165371 LIXDECDNUFAKLZ-FQEVSTJZSA-N 422.960 4.715 0 40 HJAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(C(=O)NCC3CC3)ccc21 643573142 MPAUCRJFCGQXIY-UHFFFAOYSA-N 413.606 4.601 0 40 HJAB O=C(NCC1(c2ccc(F)cc2)CCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1 1626395329 LPZMBYSCMCWJHQ-UHFFFAOYSA-N 419.378 4.746 0 40 HJAB O=C(NCc1cccs1)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 674415 YLYOLGJBIXUJEP-TZMCWYRMSA-N 412.462 4.596 0 40 HJAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc2c3c(C)c(C)sc3ncn12 925314 AHTXJYAJWOELCT-CQSZACIVSA-N 411.556 4.692 0 40 HJAB CCOC(=O)c1c(NC(=O)CCCOc2ccc(OC)cc2)sc2c1CCCC2 1965304 GVIOIODWGGWRNO-UHFFFAOYSA-N 417.527 4.610 0 40 HJAB CCCCc1ccc(-n2c(N)c(C(=O)NCCC)c3nc4ccccc4nc32)cc1 2354666 ILEWXTSNTVZIAB-UHFFFAOYSA-N 401.514 4.638 0 40 HJAB CC(C)(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2414551 QZFHWIGNZAQFCY-PGRDOPGGSA-N 417.505 4.815 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(c1nccs1)C3=O 2432421 HXIINYULMQZBKF-QGZVFWFLSA-N 408.866 4.961 0 40 HJAB COc1ccc(O)c(C(=O)c2cnc3c(c2)c(C(C)(C)C)nn3-c2ccccc2)c1 3324777 WSYFLBLWLXZEDB-UHFFFAOYSA-N 401.466 4.663 0 40 HJAB O=C(c1cccc(OC(F)F)c1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 3421105 VIXPPUVVDTXFDA-OAHLLOKOSA-N 404.438 4.724 0 40 HJAB Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2S[C@H]2CCOC2=O)cc1 3500825 SEYIVZBPHUEFEI-URBQWANRSA-N 420.534 4.911 0 40 HJAB CC1=C(CC/C(C)=C/CCC2=CC[C@H](C3=CC(=O)O[C@@H]3O)O[C@@H]2O)C(C)(C)CCC1 3874161 FGJIDQWRRLDGDB-ZCTORPJXSA-N 416.558 4.855 0 40 HJAB COc1ccc(C)cc1NC(=O)c1cnc2c(c(C)nn2-c2ccccc2)c1Cl 4941141 RUGSWBRRHFPYHD-UHFFFAOYSA-N 406.873 4.952 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)C1=CC=CC1 4966803 SVXKAJIKDLIATM-XMMPIXPASA-N 418.512 4.841 0 40 HJAB O=C(CCC(=O)c1cccs1)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 5787247 ZFYDUIGWBFQOIY-NRFANRHFSA-N 411.454 4.773 0 40 HJAB O=C(COc1ccccc1)Nc1ccc(Cl)c(-c2nc3ccccc3c(=O)o2)c1 5901141 IFXUZFMZIDHZFV-UHFFFAOYSA-N 406.825 4.526 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 6169962 MWUHHWUMIDLVAC-UHFFFAOYSA-N 416.433 4.955 0 40 HJAB Cc1cc(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)c(C)n1C1CC1 7987442 WUDGJZLZPXUMLE-UHFFFAOYSA-N 403.511 4.544 0 40 HJAB Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4ccc(Cl)cc4)C3=O)cs2)cc1 7989139 QZFRLTCWJFZCMQ-OAQYLSRUSA-N 411.914 4.739 0 40 HJAB C[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1ccc2c(c1)CCCC2 8327321 TUEMNZQYKJBYDP-AWEZNQCLSA-N 411.502 4.724 0 40 HJAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(OCc3ccccc3)cc2)c(C)c1 8394964 MMQBXQQFKALXDE-UHFFFAOYSA-N 402.494 4.559 0 40 HJAB COC(=O)c1ccc2nc(NC(=O)c3cc(Cl)cc(Cl)c3OC)sc2c1 8904236 GLWMZDBEZLDNSW-UHFFFAOYSA-N 411.266 4.651 0 40 HJAB C[C@@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccc(-c2ccccc2)cc1 9253377 RJNYLLRMTMXQLS-GOSISDBHSA-N 402.494 4.676 0 40 HJAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1c(C)nn(Cc2ccccc2)c1C 10905164 ZCDZWOIHHJMIJR-UHFFFAOYSA-N 422.579 4.972 0 40 HJAB CC(C)n1ncc2c(C(=O)N[C@H]3CCSc4c(F)cccc43)cc(C3CC3)nc21 12622143 MTVIKGYFOHGZNV-SFHVURJKSA-N 410.518 4.996 0 40 HJAB C[C@H](Sc1nnc(/C=C/c2ccc(F)cc2)[nH]1)C(=O)Nc1ccc(F)c(F)c1F 12823928 OMMCMRRSKBUPEY-LLGDCAAFSA-N 422.407 4.651 0 40 HJAB COc1cc(C(C)=O)ccc1OC[C@H](O)COc1ccc(-c2ccc(C)cc2)cc1 12978634 BLEBZEUYTRPYNW-JOCHJYFZSA-N 406.478 4.692 0 40 HJAB COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@H]3c3ccccc3Cl)c2c1 13570387 WNZSTDTWOKUYGW-JOCHJYFZSA-N 420.900 4.649 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(F)c3)[C@H]2C(=O)N1c1ccccc1Cl 13805691 BGTBINSKIDETII-NJDAHSKKSA-N 422.843 4.530 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 16104148 VJEGUBLGWJITCS-UHFFFAOYSA-N 409.751 4.547 0 40 HJAB O=C(N[C@H](c1ccccn1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 19400797 DMGCMOMRERMYSQ-NRFANRHFSA-N 418.368 4.868 0 40 HJAB COc1ccc(C(=O)CSc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1OC 19647188 ONJYCMDYVYKELF-LBPRGKRZSA-N 414.552 4.808 0 40 HJAB Cc1cccc(CN(Cc2ccccc2)C(=O)Cc2nc3cc(Cl)ccc3[nH]2)n1 19665359 QBKKJGVBWREQNA-UHFFFAOYSA-N 404.901 4.691 0 40 HJAB Cc1ccc2[nH]c(Cc3ccc(NC(=O)c4cccc5c(=O)cc(C)[nH]c45)cc3)nc2c1 19719139 XGGZTDWFFUSOBQ-UHFFFAOYSA-N 422.488 4.864 0 40 HJAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1cccc(C)c1C 20611161 FMCAPQALFHPCLA-UHFFFAOYSA-N 404.445 4.502 0 40 HJAB Cc1csc(-n2c(C)cc(C(=O)COC(=O)C3(c4ccccc4)CCC3)c2C)n1 21732540 NWNOSWWNOQCZLF-UHFFFAOYSA-N 408.523 4.707 0 40 HJAB CCCC[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1cc(C)on1 22279491 HMJNLEDKIPLVBE-AWEZNQCLSA-N 405.911 4.711 0 40 HJAB Cc1ccccc1NC(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1C 23127015 AIZFAGQNRZDSPC-UHFFFAOYSA-N 421.547 4.701 0 40 HJAB CC(C)n1ncc2c(C(=O)N3CCc4ccccc4C3)cc(-c3cccs3)nc21 32863609 PTODXMINPKXVGN-UHFFFAOYSA-N 402.523 4.939 0 40 HJAB Fc1ccc(CN2CCCN(c3nc(-c4cccnc4)nc4ccccc34)CC2)cc1 40024894 LKENYQXLIIFOAL-UHFFFAOYSA-N 413.500 4.543 0 40 HJAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(N2CCCC2=O)c1 44759147 YZHCMOTZXQPXOT-UHFFFAOYSA-N 413.477 4.626 0 40 HJAB CC(C)[C@H](NC(=O)Nc1cc2c(cc1Br)OCCO2)c1cccs1 48314687 KQOCENVPJHGTNN-INIZCTEOSA-N 411.321 4.801 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCOc1ccc(F)cc1Cl 48332857 HJIUBRBKYBCROW-UHFFFAOYSA-N 415.896 4.709 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc(COc3cccc(C)c3C)n2C)c(C)c1 59176298 SJXYQXYVTZUAQD-UHFFFAOYSA-N 424.570 4.667 0 40 HJAB O=C(Nc1ccc(Oc2cccc(F)c2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 59814329 NHYHFKFFLOGPEI-UHFFFAOYSA-N 421.396 4.867 0 40 HJAB O=C(NCCCCn1ccnc1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 65515536 VZPMDTKAFNDFTN-UHFFFAOYSA-N 404.301 4.539 0 40 HJAB COc1ccc(-c2nc(C)cc(SCC(=O)N[C@H](C)CCc3ccccc3)n2)cc1 67257639 UZBZXZDBJQAKKE-QGZVFWFLSA-N 421.566 4.690 0 40 HJAB O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)NCc1ccc(Cl)cc1 72242807 BYWWTJAARLIWFI-UHFFFAOYSA-N 419.868 4.752 0 40 HJAB COC(=O)/C(=C\Nc1ccc(F)c(F)c1F)c1ncc(C(F)(F)F)cc1Cl 100273604 MCWUYIFJKFBLQF-VURMDHGXSA-N 410.701 4.797 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C 222545750 WVCRLPXSFIFWML-YKSBVNFPSA-N 424.585 4.577 0 40 HJAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NC(C)C)cc1 222938687 BNBFBCDUXWCZQA-DEOSSOPVSA-N 408.586 4.556 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 223236903 JHMOSTPCUPOFJO-INIZCTEOSA-N 421.368 4.870 0 40 HJAB CCCC[C@H](CC)CNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 224236732 XPYLWMFNIOWUEH-INIZCTEOSA-N 408.589 4.519 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 224242308 QKGIMTMJASWEDI-INIZCTEOSA-N 421.368 4.725 0 40 HJAB O=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(Cl)c(Cl)c1 224287073 NNWZEAZUOOZWFZ-UHFFFAOYSA-N 414.245 4.516 0 40 HJAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1Cl 224412548 CLUZXJOGBXUBPK-UHFFFAOYSA-N 414.870 4.863 0 40 HJAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1ccc(OC)cc1 224599879 XLYIALADPFGAHQ-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 224790012 IJHOVBUBTURNLC-GOSISDBHSA-N 412.961 4.749 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 224945349 SVAWQKOFJYEERX-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 225191877 PXMUCCHPMQNBTM-CVEARBPZSA-N 421.368 4.868 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 225212666 HIZRBRRRGZAMLZ-MSOLQXFVSA-N 416.562 4.640 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)N[C@H](C)CC)cc1 225577359 AXHBYWMEXYRELH-YKSBVNFPSA-N 424.585 4.658 0 40 HJAB Brc1ccccc1CNc1ncncc1-c1nc(-c2ccsc2)no1 225580089 FXZPLQBAMXTJTD-UHFFFAOYSA-N 414.288 4.630 0 40 HJAB C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1 252461638 NEMWYOKGHGSVSC-ORPUPVDGSA-N 415.662 4.563 0 40 HJAB biogenic O=C(COc1cccc(F)c1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257221063 DNIRKBHIENMYQI-OAQYLSRUSA-N 412.436 4.676 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257342278 ZNYBCMQOYHYIQK-FQEVSTJZSA-N 414.864 4.800 0 40 HJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccc(Cl)cc2)cc1 408679251 VPXFMNXSPVRYJC-UHFFFAOYSA-N 418.880 4.767 0 40 HJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1c(F)cccc1Cl 408703670 WKKILGRANUSYGQ-IBGZPJMESA-N 411.926 4.695 0 40 HJAB CCCN(CCC)C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1 409214711 XXVNBDZQMUQSOY-UHFFFAOYSA-N 422.598 4.907 0 40 HJAB O=C(CCc1ccccc1Br)NCc1ccnc(-c2ccsc2)c1 585351025 YTIYGEYRYHVRDL-UHFFFAOYSA-N 401.329 4.822 0 40 HJAB COc1c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cccc1[C@@]1(OC)CCOC1 1857794462 ILJKUGLHSHWLGV-JOCHJYFZSA-N 423.506 4.634 0 40 HJAB CC(C)CCOC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 705299 ZOIKUPMEEGRMPJ-UHFFFAOYSA-N 406.265 4.997 0 40 HJAB O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1c(Cl)cc(Cl)cc1Cl 853585 QPRSQWMOTIJMEE-UHFFFAOYSA-N 414.705 4.558 0 40 HJAB CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1 870545 XRYPMVLEDGPSQH-UHFFFAOYSA-N 421.551 4.819 0 40 HJAB aggregator COc1ccc([C@H]2C(=O)c3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1OC 980138 XRISBRYUSHBIJR-DNQXCXABSA-N 404.462 4.833 0 40 HJAB O=C1[C@H](Oc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1CCc1ccc(Cl)cc1 1444358 YLVRYGJTBCEPLF-DHIUTWEWSA-N 421.880 4.642 0 40 HJAB COc1ccc(OCc2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 2408314 XXZKWCNFGJHINA-UHFFFAOYSA-N 412.493 4.747 0 40 HJAB CCCOc1cccc(C(=O)Nc2ccc(I)cc2CC)c1 2594748 UGNLMKXQCQYSDD-UHFFFAOYSA-N 409.267 4.895 0 40 HJAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 2621141 GFZYHPGOTUZNFY-KRWDZBQOSA-N 406.555 4.829 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)c3ccc(F)c(F)c3)n2C(C)C)cc1 2636844 FBMBEPVKJLSESD-UHFFFAOYSA-N 403.454 4.788 0 40 HJAB CSc1nc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2s1 2644360 BTELBZGBQXVLGK-UHFFFAOYSA-N 404.460 4.838 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c1C 3315331 TZUOAKVSSPWRRH-UHFFFAOYSA-N 416.433 4.682 0 40 HJAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1ccccc1F 4033443 CGHGKJPRZBHKFY-QGZVFWFLSA-N 403.432 4.883 0 40 HJAB CCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1OC 4549388 CRNOFTPDHOIVII-UHFFFAOYSA-N 419.477 4.947 0 40 HJAB COC(=O)c1sc2nc(/C(Cl)=C/c3ccc(SC)cc3)[nH]c(=O)c2c1C 5071248 QWDFUVGUPOIMEX-WQLSENKSSA-N 406.916 4.538 0 40 HJAB Cc1cc(NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)c2ccccc2n1 5270626 QTYJKDRRGGAWJZ-UHFFFAOYSA-N 403.869 4.659 0 40 HJAB Cc1cc(C)n(-c2nc(NCc3ccco3)c3c4c(sc3n2)COC(C)(C)C4)n1 5573708 YCKAXPVFMZVTAJ-UHFFFAOYSA-N 409.515 4.550 0 40 HJAB O=C(COC(=O)c1cc(Cl)c(O)c(Cl)c1)c1cccc(Br)c1 6589049 BAPCHVYBPFBVLO-UHFFFAOYSA-N 404.043 4.501 0 40 HJAB CCOc1ccc(CCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1OCC 7737509 XDNHYOFRVXYIQQ-UHFFFAOYSA-N 417.505 4.688 0 40 HJAB C[C@@H](OC(=O)CSc1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 7778328 OGXJICRRQJBJQZ-CYBMUJFWSA-N 416.499 4.612 0 40 HJAB CC(=O)c1cccc(OCC(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)c1 7988297 SVADOWNSQFYOHR-OAQYLSRUSA-N 418.518 4.759 0 40 HJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(I)cc2C)c1 8481240 JKOWKOKHYIVDSA-AWEZNQCLSA-N 409.267 4.622 0 40 HJAB COc1ccccc1N(Cc1nc2ccccc2s1)S(=O)(=O)c1cccs1 9417513 VYMIHTJQJKXNJE-UHFFFAOYSA-N 416.549 4.762 0 40 HJAB Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)cc1 9667986 AWPIXYTYCRTPCF-GOSISDBHSA-N 424.522 4.581 0 40 HJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccccc2)cc1Cl 10119184 IWGOQAAHUYLRJL-UHFFFAOYSA-N 418.880 4.767 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235509 UFHKWUXREFLCMO-UHFFFAOYSA-N 404.894 4.874 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)CCc3ccccc3)c2)cc1 10335153 GVWZKRFLJSDPMY-IBGZPJMESA-N 422.550 4.547 0 40 HJAB O=C(CCS[C@H]1CCc2ccccc2N=C1O)NCCc1c[nH]c2ccccc12 12321616 BUYNUHGBEPJARD-NRFANRHFSA-N 407.539 4.553 0 40 HJAB C[C@@H](SC1=Nc2ccccc2[C@H]2CC=NN12)C(=O)Nc1ccc(F)c(F)c1F 12599044 ZLPVFGREDVACQK-MEBBXXQBSA-N 404.417 4.598 0 40 HJAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC(c2nc3ccccc3o2)CC1 12794788 PCPPLHVFNNJVIO-UHFFFAOYSA-N 419.456 4.961 0 40 HJAB COc1cc2c(cc1NC(=O)[C@H]1CCCN(C(=O)c3ccoc3)C1)oc1ccccc12 13006433 TUBFGAAXCFSMLW-HNNXBMFYSA-N 418.449 4.679 0 40 HJAB Cc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccnc2)N2N=CNC2=N3)cc1 13213787 GXQGUAHMKPPOKP-ZEQRLZLVSA-N 407.477 4.503 0 40 HJAB O=C(CCCCCNC(=O)c1cc2ccccc2[nH]1)Nc1nc2ccccc2s1 13692435 NGRUGBSTGMHCQP-UHFFFAOYSA-N 406.511 4.707 0 40 HJAB CCOc1cc(CNCCC2=CCCCC2)ccc1Oc1nnnn1-c1ccccc1 13724039 FPYFDDRFYLAHKS-UHFFFAOYSA-N 419.529 4.833 0 40 HJAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc12 14672305 QQLODAMCHYCQNT-GFCCVEGCSA-N 419.934 4.509 0 40 HJAB CC(C)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 14909727 ZJLLVCKITUMPRM-UHFFFAOYSA-N 420.962 4.890 0 40 HJAB COc1cccc2c(NC(=O)c3ccncc3)c(C(=O)c3ccc(Cl)cc3)oc12 15729433 UVQWNKPKRAVXNT-UHFFFAOYSA-N 406.825 4.973 0 40 HJAB biogenic Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)N2CCC(C)CC2)o1 15860520 PCXQIKFYCIGNAO-HXUWFJFHSA-N 422.525 4.514 0 40 HJAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nnc(-c4cc(C)cc(C)c4)o3)ccc21 16132862 HVHQNSXCDGCRQX-HNNXBMFYSA-N 421.522 4.626 0 40 HJAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2c(Cl)cccc2Cl)cc1 16383747 JMQDJVKWVJQKTP-RNWGTBAESA-N 414.288 4.884 0 40 HJAB COc1ccc(Nc2nc(NCc3ccco3)nc3c2cnn3-c2ccccc2)cc1 16954265 QSOBLZONJBXDOZ-UHFFFAOYSA-N 412.453 4.773 0 40 HJAB CCOC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CCCC2 17091789 DOLAOSNFNOXUGW-UHFFFAOYSA-N 419.371 4.751 0 40 HJAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2c(NC(=O)C(C)(C)C)sc(C)c2C)c1 17133671 VZFDLRSPZUPFRK-CQSZACIVSA-N 416.543 4.842 0 40 HJAB C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccc(-n2cncn2)cc1 18159782 XAYOSJCSTVBRKK-ZDUSSCGKSA-N 409.902 4.535 0 40 HJAB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 18272194 IHVRHQFFNHWPTK-UHFFFAOYSA-N 409.405 4.863 0 40 HJAB O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccsc2)C1 19370916 TWANSWJNDYJRDR-RCZVLFRGSA-N 419.594 4.845 0 40 HJAB O=C(C1CCC1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19373072 OHXACVUSOLODTP-HXUWFJFHSA-N 413.525 4.788 0 40 HJAB COc1ccc2c(CN3CCC[C@H]3c3cc(-c4cnn(C)c4)cc(C)n3)cn(C)c2c1 19690996 CLDFGJLDJJRMHY-DEOSSOPVSA-N 415.541 4.628 0 40 HJAB O=C(c1ccc2c(c1)ncn2C1CC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 19714294 OYRPXTCGWBIGCW-FQEVSTJZSA-N 403.482 4.510 0 40 HJAB CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3n2)cc1 20610207 GWTRFJVFSMJVOL-UHFFFAOYSA-N 420.900 4.962 0 40 HJAB CCc1nc(C)c2c(C)c(C(=O)NCc3ccccc3OC(F)(F)F)sc2n1 22611536 DUOTYBSWMDRZHC-UHFFFAOYSA-N 409.433 4.699 0 40 HJAB Cc1nc(CSc2ccccc2C(=O)N2CCN(Cc3ccccc3)CC2)cs1 23605664 ARVCPGHMRMBDJJ-UHFFFAOYSA-N 423.607 4.702 0 40 HJAB O=C(Cc1csc(-c2ccccn2)n1)N1CCc2sccc2[C@@H]1c1ccccc1 25900606 UXNZKBIEFDSNTH-QFIPXVFZSA-N 417.559 4.983 0 40 HJAB Cc1cc(C)c2c(=O)cc(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)oc2c1 28293462 GBKNUICKTUDQSL-SFHVURJKSA-N 424.566 4.818 0 40 HJAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cc(Cl)ccc1N1CCCCC1 31485469 NCSVWVDRCXBYPC-IBGZPJMESA-N 415.946 4.772 0 40 HJAB CCCc1cc(=O)[nH]c(SCc2ccc(C(=O)Nc3c(C)cccc3C)cc2)n1 32117647 QSRLHIVJJGURTO-UHFFFAOYSA-N 407.539 4.884 0 40 HJAB biogenic,in-vitro O=C(CSc1nnc(-c2ccc(F)cc2)n1C1CC1)Nc1ccccc1Cl 32604148 OFYFEBRVWXSYEV-UHFFFAOYSA-N 402.882 4.803 0 40 HJAB CC(C)(C)c1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3F)cc2Cl)cc1 32610004 NLSLJXNPDIGTHP-UHFFFAOYSA-N 421.925 4.822 0 40 HJAB CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(O)c4ccccc34)n2)cc1 32786736 WTEAACGSWODQFY-UHFFFAOYSA-N 403.438 4.565 0 40 HJAB O=C(COc1cccc(-c2noc(-c3ccccc3Cl)n2)c1)NCc1ccccc1 33327296 OWNZIYKAQYUUPL-UHFFFAOYSA-N 419.868 4.752 0 40 HJAB Cc1ccc(-c2nn3c(c2C)N=C(O)C[C@H]3C(=O)Nc2ccc(F)c(F)c2F)cc1 35684966 CQIKGZYNEVWDEM-HNNXBMFYSA-N 414.387 4.756 0 40 HJAB CN(C)C(=O)c1cccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)c1 40050276 JXRHHCPIBMVIBP-UHFFFAOYSA-N 424.504 4.553 0 40 HJAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 40145397 DKURMBAOUZLMGM-UHFFFAOYSA-N 406.507 4.958 0 40 HJAB Cc1nc(-c2cccs2)sc1C(=O)N[C@@H]1CCCc2c1cnn2C(C)(C)C 40150206 MVVLIYNPXFIIDT-CQSZACIVSA-N 400.573 4.939 0 40 HJAB CSc1cccc(Nc2c(C(=O)N3CCSCC3)cnc3nc(C)ccc23)c1 49004939 AXJMFJFBIFSPMY-UHFFFAOYSA-N 410.568 4.593 0 40 HJAB Nc1c(Cl)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)cc1Cl 55128516 IVDOJGAATPPVGJ-LLVKDONJSA-N 418.733 4.534 0 40 HJAB CCOc1ccccc1N1CCN([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 57281281 QLPDZJQZBXWQKW-INIZCTEOSA-N 400.473 4.713 0 40 HJAB CC(C)CCn1c(SCC(=O)Nc2cccc(Cl)c2)nc2ccsc2c1=O 57426015 YACJPKCDWILHNN-UHFFFAOYSA-N 421.975 4.888 0 40 HJAB CC[C@@H](NC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccc(Br)cc1 57987352 FTNBMEMZFROOBL-OAHLLOKOSA-N 423.307 4.748 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N3CCCCCC3)nc2)cc1 72216680 BQZHFNQQYZTIHC-JOCHJYFZSA-N 413.587 4.686 0 40 HJAB COc1ccc(-n2c(Br)nc(Cl)c2C(=O)Oc2ccccc2)cc1 72238868 BMNJNNGQEUEQQR-UHFFFAOYSA-N 407.651 4.516 0 40 HJAB O=C(CCOc1ccccc1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72358275 USEZLKFTTIDUBY-DEOSSOPVSA-N 404.485 4.944 0 40 HJAB O=C(c1cccnc1)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358714 GQIQMXXGDAUNEE-KRWDZBQOSA-N 412.415 4.577 0 40 HJAB CN(C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)C1CCCCCCC1 89334991 GBODPKJZBRZHRC-UHFFFAOYSA-N 404.510 4.668 0 40 HJAB O=C(NCC1(Sc2ccccc2)CCOCC1)c1ccc(OC(F)(F)F)cc1 96331387 SOLYDYRPQNXMBO-UHFFFAOYSA-N 411.445 4.657 0 40 HJAB CCCC[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2ON1c1ccccc1 102735276 HKJYIXSCILEBFO-IPMKNSEASA-N 419.308 4.862 0 40 HJAB COC(=O)c1cn(C(=O)C(C)(C)Oc2ccc(Br)cc2)c2ccccc12 216934169 WESVLDKYRCOJNL-UHFFFAOYSA-N 416.271 4.688 0 40 HJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCC 224197572 XRYAPRDCBWQLAF-NRFANRHFSA-N 400.950 4.606 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3C(F)(F)F)o2)c(OC)c1 224868460 UWGBMKJHBXCNSK-UHFFFAOYSA-N 420.387 4.949 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 225034026 NAWBEWYYJIZWNT-QHCPKHFHSA-N 410.533 4.625 0 40 HJAB CC[C@H](NC(=O)c1ccc(C)cc1I)c1ccc(OC)c(C)c1 225034199 GLOUMBNDAVLSAP-KRWDZBQOSA-N 423.294 4.798 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225122077 GBYGSXAXPZRAEW-QGZVFWFLSA-N 404.919 4.841 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 225585800 GQYZGYFGMNPPEN-XUZZJYLKSA-N 408.586 4.876 0 40 HJAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3-c3ccccc3)ccc21 225727478 GOGIROAIXYYGSO-UHFFFAOYSA-N 424.547 4.941 0 40 HJAB O=C(NCc1cccnc1-c1ccco1)c1ccccc1C(=O)c1ccc(F)cc1 238819833 CJLSFBMJMWGIRG-UHFFFAOYSA-N 400.409 4.642 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(C[C@@H]2CC=CCC2)C1)c1cccc(F)c1 247503113 QOWLDWRIHCBQLS-IZIIKQMZSA-N 407.533 4.760 0 40 HJAB COc1cc(CCc2nc(N3CCC[C@H]3c3ccccc3)ncc2C(=O)O)ccc1C 257216098 CTBKIOUAKHMTDX-QFIPXVFZSA-N 417.509 4.619 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 408655487 DBANXASNZKCDEG-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC[C@H](C)C[C@H]2C1=O 408668889 FWBRIGFKXOWWDM-FDQGKXFDSA-N 410.901 4.826 0 40 HJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 408702088 BRTDLBBQGUQNCZ-QFIPXVFZSA-N 410.514 4.508 0 40 HJAB C[C@@H](CC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1F 504243852 LMQYZUTWUIMPQR-DLBZAZTESA-N 405.473 4.844 0 40 HJAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3ccc(F)cc3)cc2c1 874527 VZWUVHTUBHXKHS-UHFFFAOYSA-N 421.497 4.968 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)cc1 904292 OJVYNSJFORHNDF-UHFFFAOYSA-N 407.543 4.885 0 40 HJAB COc1cc(C(=O)N2N=C(c3cccs3)C[C@H]2c2ccccc2)cc(OC)c1OC 991463 YIEPLISPTRCYDR-SFHVURJKSA-N 422.506 4.765 0 40 HJAB CCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3OCC)c2)cc1 1006645 BSGNPTHSLKOXSK-UHFFFAOYSA-N 404.466 4.989 0 40 HJAB CCC1=C(C[C@H]2NCCc3cc(OC)c(OC)cc32)C[C@@H]2c3ccccc3CCN2C1 1721518 GAUYNTGXYGJOSH-JWQCQUIFSA-N 418.581 4.990 0 40 HJAB in-vitro CC(C)(C)OC(=O)NCCc1nnc(SCc2c(Cl)cccc2Cl)o1 2415447 HZVHJXNNLJDFAR-UHFFFAOYSA-N 404.319 4.736 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(c1nnc(C)s1)C3=O 2423452 KGWBPQSDWSLLJY-QGZVFWFLSA-N 423.881 4.665 0 40 HJAB Cc1ccc2c(CC(=O)O[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)coc2c1 2662952 SFGGRQLOVBGCSE-LLVKDONJSA-N 407.253 4.556 0 40 HJAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1cccc(OC(=O)c2ccccc2F)c1 2990828 WYKHTEPQDBJSLB-MOSHPQCFSA-N 405.356 4.529 0 40 HJAB O=C(NCCOc1ccccc1Cc1ccccc1)c1ccccc1Br 3092187 XLQDRGATMBICCD-UHFFFAOYSA-N 410.311 4.849 0 40 HJAB O=C(N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccccc1 3123259 CNTPSCCTSNBNEI-AWEZNQCLSA-N 422.537 4.987 0 40 HJAB CC(=O)c1cccc(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)c1 3221263 ZTNFYEILXRXMHV-UHFFFAOYSA-N 400.645 4.645 0 40 HJAB O=C(CSc1nnc2sc3ccccc3n12)Nc1cc(Cl)cc(Cl)c1 3269041 CSSUOQKUWTVMSO-UHFFFAOYSA-N 409.323 4.982 0 40 HJAB Cn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1ccccc1F 3303562 GIWVAAFVAJQTNB-UHFFFAOYSA-N 424.473 4.667 0 40 HJAB O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)NCc1ccco1 4221125 BHQUEWUNDHDDKB-UHFFFAOYSA-N 411.914 4.740 0 40 HJAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 4545098 WXVLCGHVEMCUBA-QKKBWIMNSA-N 418.518 4.946 0 40 HJAB CC(C)(C)NC(=O)COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 4798402 NILOADGQRXYCGA-UHFFFAOYSA-N 414.552 4.660 0 40 HJAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1Cl)OCO3 4849549 JIFMNPQWIKAULN-UHFFFAOYSA-N 400.887 4.910 0 40 HJAB CC[C@H](C)COC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc12 5100528 ZHBCCLVNSXWVPK-AWEZNQCLSA-N 402.498 4.976 0 40 HJAB Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)COc3ccccc3)nc2c1 5142380 GUMCPKKMXZPNBZ-UHFFFAOYSA-N 403.507 4.920 0 40 HJAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)COc1cc(C)cc(C)c1 5164831 KXRIDRCWFZINNE-UCGXPXSYSA-N 423.553 4.586 0 40 HJAB Cc1c(C)c2cc(Cl)c(OC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc2oc1=O 6417458 LYLMAFYSXKLKGU-QGZVFWFLSA-N 423.893 4.518 0 40 HJAB biogenic CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)c1 6517399 SNOVSFXOKUPOGL-UHFFFAOYSA-N 411.571 4.839 0 40 HJAB CCc1cc(I)ccc1NC(=O)c1cccc(OC(C)C)c1 6555738 PYSVDKDDXOYJSS-UHFFFAOYSA-N 409.267 4.893 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@@H](c2nc3ccccc3s2)C1 7307025 QOMRKMGNMDXBNS-GFCCVEGCSA-N 410.923 4.657 0 40 HJAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1ccc(F)cc1 7544815 UTYYYTAWBNIOHG-QGZVFWFLSA-N 403.432 4.883 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)c1cc(F)ccc1F 7655005 DWRDAQNPLMACAQ-UHFFFAOYSA-N 409.747 4.760 0 40 HJAB COc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1Cl 7763794 OCZBIFMDNCCAKC-UHFFFAOYSA-N 405.932 4.979 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 8160598 CZCSOBLUOZQUHR-GUYCJALGSA-N 410.297 4.957 0 40 HJAB COc1cccc(CN(C(=O)Nc2ccc(C)cc2)c2nnc3n2CCCCC3)c1 8550217 DNEVKBNJKBDECB-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB O=C(NCCc1nc2ccccc2n1CCCOc1ccccc1Cl)c1ccco1 8752602 SPWANLPOXOAZLB-UHFFFAOYSA-N 423.900 4.724 0 40 HJAB O[C@]1(C(F)(F)F)CC(C(F)(F)F)=NN1c1nc(-c2ccc(Cl)cc2)cs1 8755068 KGCKVNBIUAVPEU-LBPRGKRZSA-N 415.746 4.843 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1F)c1cccc(Cl)c1 8810199 XWHUEVJAQMSMQV-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB CSc1ccccc1NC(=O)CN(C)Cc1c(-c2ccccc2)nc2sccn12 9366903 YCIPRZCDCGDZLU-UHFFFAOYSA-N 422.579 4.855 0 40 HJAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1cc(Cl)ccc1F 9465366 SETATSAGELRBBZ-UHFFFAOYSA-N 422.938 4.789 0 40 HJAB Cc1cccc(NC(=O)Nc2nc(CC(=O)NCc3ccc(Cl)cc3)cs2)c1 9625498 AEDIRKMFDWLQIF-UHFFFAOYSA-N 414.918 4.608 0 40 HJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 9665716 VPFPTPQPVZAVJJ-UHFFFAOYSA-N 400.935 4.663 0 40 HJAB Cc1ccc(-n2ccnc(SCC(=O)Nc3cccc(Cl)c3)c2=O)cc1Cl 9761426 RXXDXXDMPCOUPZ-UHFFFAOYSA-N 420.321 4.579 0 40 HJAB O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(NC(=O)c2cccs2)c1 9909211 YOEBFVKESUAOLL-UHFFFAOYSA-N 406.492 4.771 0 40 HJAB CCc1ccc(N2C(=O)N(Cc3cccc(OC)c3)c3ccccc3S2(=O)=O)cc1 9909527 ZMOPYSYRMKQKCK-UHFFFAOYSA-N 422.506 4.593 0 40 HJAB CC(C)c1ccc(NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1 12195676 VYTODLWRXBYVPP-UHFFFAOYSA-N 406.935 4.646 0 40 HJAB C[C@H]1Cc2cc(C(=O)c3cc4c(ccc5ccccc54)o3)ccc2N1S(C)(=O)=O 12807792 CMNNBLHWICDXKN-AWEZNQCLSA-N 405.475 4.528 0 40 HJAB CN(Cc1ccc(Cl)cc1Cl)Cn1nc(-c2ccc3c(c2)OCO3)oc1=S 13071504 RVCIIBCSOMWAMV-UHFFFAOYSA-N 424.309 4.998 0 40 HJAB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1cc(Cl)ccc1Oc1ccccc1 13141884 BOMGBUYSXLQOIA-UHFFFAOYSA-N 421.840 4.804 0 40 HJAB COc1ccc(-c2nc(CC(=O)N[C@H](C)Cc3c[nH]c4ccccc34)cs2)cc1 13731575 FDENCJIVKDISNQ-OAHLLOKOSA-N 405.523 4.590 0 40 HJAB Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 15106734 HFZQJEUZZRYAJL-OAHLLOKOSA-N 424.453 4.651 0 40 HJAB O=C(Nc1ccccc1)C1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 15182306 WIUYTUISYQEKQZ-UHFFFAOYSA-N 414.505 4.757 0 40 HJAB COc1ccc(C)cc1CN1CCC([C@@H](NC(=O)C(C)(C)C)c2nccs2)CC1 19133328 NCXXANOICHALHA-HXUWFJFHSA-N 415.603 4.576 0 40 HJAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2)nc(C2CC2)n1 19592122 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CCOC(=O)C1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)CC1 29513310 AUHLBWMUGKFVJW-UHFFFAOYSA-N 422.456 4.563 0 40 HJAB C[C@@H](Sc1nnc([C@@H](C)Oc2ccc(F)cc2)o1)C(=O)Nc1ccc(Cl)cn1 32945462 BQHUXEGZSSFIQI-GHMZBOCLSA-N 422.869 4.516 0 40 HJAB COc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccc(C)cc3)n2)cc1 33325045 LGLZSGIPYHGOLN-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB O=C(O[C@@H]1CCOC1=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2 34718664 UTVMBIHWIHXXLN-FNDLEWIFSA-N 405.475 4.646 0 40 HJAB O=C(CN1CCc2ccccc2C1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 35515116 WVFCHOPPDJONJW-QFIPXVFZSA-N 419.912 4.669 0 40 HJAB COc1ccc(OC)c([C@H](C)NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)c1 40079632 XQHRGBJLWXJJLT-MXHVWWQHSA-N 418.493 4.568 0 40 HJAB Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@H](C)c1ccncc1 40130185 GQKKVIYXOZCCOI-GFCCVEGCSA-N 403.313 4.611 0 40 HJAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)NCc1nc(-c2ccccc2)no1 44225848 DSUQVESGDYKKIY-UHFFFAOYSA-N 417.440 4.917 0 40 HJAB O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC[C@@H]1c1ccsc1 46914530 QGZOJZOHDLBUKU-WMLDXEAASA-N 409.477 4.742 0 40 HJAB COc1cc(NCC(=O)N2CC[C@@H](C)Sc3ccccc32)c(OC)cc1Cl 57856282 WGYRPSBVHJPHRL-CYBMUJFWSA-N 406.935 4.687 0 40 HJAB O=C(c1cnn(-c2ccc(Br)cc2)c1)N(Cc1cccs1)C1CC1 59278941 BXEXKQJCMAIQFS-UHFFFAOYSA-N 402.317 4.501 0 40 HJAB Cc1c(F)cccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@H]1CCCO1 67293123 WFSOOQAVTVFCNB-ZLXSMEDCSA-N 414.864 4.675 0 40 HJAB O=C(NCc1ccc(F)c(Cl)c1)c1cc(-c2ccc(Br)cc2)[nH]n1 72328205 CVHVWXJYBCXJEH-UHFFFAOYSA-N 408.658 4.562 0 40 HJAB Cc1c(C(=O)N[C@@H](C)c2nc3ccccc3n2C)oc2ccc(Br)cc12 78823401 DOCUTAYAPQFESF-LBPRGKRZSA-N 412.287 4.881 0 40 HJAB Cc1nc(C)c([C@@H](C)NC(=O)c2c(-n3cccc3)sc3c2CCSC3)s1 84062366 MLASXWKDCVUBNG-GFCCVEGCSA-N 403.598 4.892 0 40 HJAB O=C(CCc1nc(-c2ccco2)no1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 89830392 LPGUISGWMBYIIH-NRFANRHFSA-N 413.477 4.631 0 40 HJAB O=C(c1ccnc(Cl)c1F)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 89884761 FYGREWRNCLGZLH-CYBMUJFWSA-N 407.631 4.534 0 40 HJAB COc1cccc2[nH]cc([C@@H](CC(=O)NCc3ccco3)c3ccc(F)cc3F)c12 95474572 MNQGKTZJOUOYOF-KRWDZBQOSA-N 410.420 4.886 0 40 HJAB CCOC(=O)c1csc(-n2nc(/C=C/c3ccc(OC)cc3)cc2C(F)(F)F)n1 96924439 VFSQEKJGVDQPPS-QPJJXVBHSA-N 423.416 4.703 0 40 HJAB COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C)c(C)c3)n2)cc1F 98211472 QFAGMDQZHIIKLK-UHFFFAOYSA-N 420.444 4.608 0 40 HJAB O=C(CSc1ccc(F)cc1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207015643 PRPALGDEPMCQNI-CQSZACIVSA-N 417.531 4.511 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219322997 AXXWXAWZMWQRRH-MRXNPFEDSA-N 420.296 4.859 0 40 HJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 219354870 HMGOOZMJJSGUTI-SFHVURJKSA-N 407.495 4.767 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 222460397 YXISJUKZKMLCTL-QFIPXVFZSA-N 412.599 4.809 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)cc(C)c1 222560266 IRWRRKWMGVTTQW-HYBUGGRVSA-N 424.585 4.577 0 40 HJAB CCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223537503 WDILDOOLDUCJSD-UWJYYQICSA-N 400.950 4.605 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 223729189 JYRUHUQEKAEBHJ-KRWDZBQOSA-N 418.990 4.684 0 40 HJAB Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)c1 224166646 VXAVMVGPDOBCFK-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB CCCOCc1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OCC 224711366 KCHHCZKBILJSBB-UHFFFAOYSA-N 407.894 4.935 0 40 HJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccccc3CN3CCCCC3)cc2)C1 224834435 ICFUKGAUSYHJID-JOCHJYFZSA-N 419.613 4.834 0 40 HJAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(C(=O)O)o3)cc2)cc1 226355219 IQGLTAQJGOWLFG-UHFFFAOYSA-N 408.479 4.895 0 40 HJAB Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)s1 257271306 MXTFALMSBRDDJM-GOSISDBHSA-N 415.946 4.898 0 40 HJAB CCN1CCN(c2ccc(NC(=O)c3cc(C(C)C)ccc3O)cc2Cl)CC1 257332159 XVZSHCPVSHNXSM-UHFFFAOYSA-N 401.938 4.563 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC[C@@H](C)C[C@H]2C1=O 408673998 WTDHNUXLMXXUCK-OZOXKJRCSA-N 418.537 4.989 0 40 HJAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1C 408999792 SBSPVNZLCWULGP-CKUXNOBLSA-N 406.570 4.654 0 40 HJAB CC(C)Cn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccc(Cl)cc1 409216811 OPJOBIULZPTTIU-UHFFFAOYSA-N 406.983 4.749 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2C)c1 409410953 BGGYRZOZIXRTPF-UHFFFAOYSA-N 412.486 4.804 0 40 HJAB C[C@@H](NC(=O)CN(C)Cc1ccccc1N1CCCC1)c1ccc2ccccc2c1 514715159 KOOYXAAVAPBCFM-HXUWFJFHSA-N 401.554 4.749 0 40 HJAB C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1cc2ccccc2c(O)n1 1648678714 HOFZNBVDEAZNDT-CJNGLKHVSA-N 411.299 4.721 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3cccc(Br)c3)o2)c1 873471 ZHSZGHGTTBGXFH-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB COC(=O)c1c(-c2cccs2)csc1NC(=O)[C@H](OC(C)=O)c1ccccc1 1094933 FTVHJJHQTWWXCB-QGZVFWFLSA-N 415.492 4.506 0 40 HJAB COc1ccc(OC)c(NC(=O)c2sc3nc4cc(C)cc(C)c4cc3c2N)c1 1343004 JHYIGFCTWBJNQF-UHFFFAOYSA-N 407.495 4.918 0 40 HJAB CC[C@]1(C)Cc2c(sc3nc(SCc4ccc(OC)cc4)nc(N)c23)CO1 2297845 IAEYVGKKBJLEEI-HXUWFJFHSA-N 401.557 4.816 0 40 HJAB CCCCOC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 2370821 AZQHULJAACXNLY-UHFFFAOYSA-N 408.889 4.825 0 40 HJAB CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)c1 2595273 IMLFGXXOMAMMFX-UHFFFAOYSA-N 415.965 4.913 0 40 HJAB CCCN(CC(=O)Nc1cccc(C)c1)CC(=O)Nc1ccc(Cl)cc1Cl 2650968 VPBDAXJEDORGLJ-UHFFFAOYSA-N 408.329 4.591 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(/C=C3\N=C(c4ccccc4F)OC3=O)c2)cc1 2657128 SGMOIEFWBISASO-STZFKDTASA-N 400.409 4.731 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cccnc3SC)ccc21 3214248 SYGOVHYFAHWULO-UHFFFAOYSA-N 419.506 4.727 0 40 HJAB COc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3ccc(F)cc3)n2)cc1 4169388 IRGOFJGWCYKNET-UHFFFAOYSA-N 413.518 4.556 0 40 HJAB Cc1ccc(-c2cc(C(=O)NCC(=O)Nc3c(C)cccc3C)c3ccccc3n2)o1 5172905 LLQIGZPGSKQORS-UHFFFAOYSA-N 413.477 4.789 0 40 HJAB CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc2n1N=C(c1ccc(Cl)cc1)CS2 5442644 XZWZRUIUOKQQFD-HNNXBMFYSA-N 421.954 4.511 0 40 HJAB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 5743667 HSAZCCKXFYJKED-RIYZIHGNSA-N 401.249 4.560 0 40 HJAB COc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1Cl 6027179 BKILNLIEZFVWSD-UHFFFAOYSA-N 415.704 4.744 0 40 HJAB Cc1cc(C(=O)CSc2nc(-c3cccs3)n[nH]2)c(C)n1Cc1ccccc1 6683581 XHVVTQUKENULII-UHFFFAOYSA-N 408.552 4.975 0 40 HJAB C[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)NC1CCCCC1 6911516 MDDGTKFHSLQBPI-HNNXBMFYSA-N 412.584 4.925 0 40 HJAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1N1CCOCC1 9377455 YRQAHVYDRQRDFN-UHFFFAOYSA-N 409.313 4.628 0 40 HJAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 9426073 CFBKEJWLJDGYSR-UHFFFAOYSA-N 424.522 4.664 0 40 HJAB COc1ccc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)c2ccccc12 10219110 PAOAYHBTEXXUGD-UHFFFAOYSA-N 417.914 4.694 0 40 HJAB Cc1nc2ccc(Cl)cc2cc1C(=O)O[C@H](C)C(=O)Nc1cc(F)ccc1F 10468892 CPXXCZAFUGLIPH-LLVKDONJSA-N 404.800 4.659 0 40 HJAB COc1ccc(C)cc1-c1csc(NC(=O)c2cccc(N3CCCC3=O)c2)n1 10579072 YGGWKYRJRLPWLR-UHFFFAOYSA-N 407.495 4.506 0 40 HJAB Cc1csc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)n1 12927741 GMUYKZDJVUQKOW-UHFFFAOYSA-N 420.338 4.927 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cccc3C)n2CC)cc1 13842245 GCIBDUSJDDDVBY-UHFFFAOYSA-N 424.570 4.787 0 40 HJAB CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)[C@H](c2ccccc2F)n2ncnc2N1 13997590 RCEVUOOPEUASMC-KRWDZBQOSA-N 418.259 4.652 0 40 HJAB NC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c1 15539989 SEBQBVXIGNNNNL-UHFFFAOYSA-N 401.853 4.906 0 40 HJAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1nc(-c3ccc(F)cc3)cs1)[C@@H]2C(=O)O 17081878 IVSADFKIURGWBT-MJSCVDMRSA-N 400.475 4.581 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3nnc(C)s3)cc2)cc1 20102722 OSPFTVQLEWLHDB-UHFFFAOYSA-N 413.524 4.568 0 40 HJAB CCOc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1OC 20151142 VCLPFVGLRAKNJM-KPKJPENVSA-N 407.466 4.807 0 40 HJAB O=C(NC(=S)Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc2ccccc2c1 20152244 YNFBEABFZVDYBA-UHFFFAOYSA-N 419.289 4.972 0 40 HJAB C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(F)cc1 20491600 PNYRWQQPRYWRER-WNSKOXEYSA-N 424.497 4.684 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccc(Cl)cc4)cnn32)cc1 20735446 UZMYRQLBUNKLAO-GOSISDBHSA-N 408.845 4.578 0 40 HJAB C[C@H]1CCCN([C@@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 22852561 RMHJLCAYZVGRSG-WFASDCNBSA-N 400.529 4.639 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)cc2)cc1 27531097 BYFBCOKCUCFFQU-NLFFAJNJSA-N 420.509 4.653 0 40 HJAB CCOc1ccc(-c2noc(Cc3nc(-c4ccc(OC)c(OC)c4)cs3)n2)cc1 33298210 UNGOTVBRLSWZDE-UHFFFAOYSA-N 423.494 4.867 0 40 HJAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 36397958 UOWRLVROJYWYKK-UHFFFAOYSA-N 423.476 4.590 0 40 HJAB COc1cccc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)c1 36616322 CHMOTHHRCANQNP-HNNXBMFYSA-N 418.472 4.676 0 40 HJAB Cc1cccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1C 44320771 DGFWPHOIYSZHRN-DEOSSOPVSA-N 415.489 4.838 0 40 HJAB CCOc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486697 SBALZMITIKROFS-UHFFFAOYSA-N 422.872 4.896 0 40 HJAB C[C@H](NC(=O)c1cc2occc2n1Cc1ccccc1F)c1nc2ccccc2n1C 96193730 MMNGOFJKRYVTHQ-HNNXBMFYSA-N 416.456 4.799 0 40 HJAB C1=C(c2ccccc2)Nc2nnnn2[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 102175042 UNTCFDANCMKUCG-HSZRJFAPSA-N 417.476 4.582 0 40 HJAB OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@H]2c2ccc3c(c2)OCO3)CCC1 102349902 WIADSOZIOIEWLV-IBGZPJMESA-N 401.422 4.521 0 40 HJAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 106689681 BFHGROPYLSYFTI-UNOMPAQXSA-N 401.459 4.860 0 40 HJAB COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)o1 113835375 UNVTYNHXSPVVJG-CPNJWEJPSA-N 405.431 4.974 0 40 HJAB CC[C@H](NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccc(OC)c(OC)c1 219239428 IEYUBCLSROTVNP-GCJKJVERSA-N 410.558 4.817 0 40 HJAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1Cl 220352240 NBUDWMUZKDGTQK-HNNXBMFYSA-N 408.951 4.565 0 40 HJAB CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220570264 LOGKPGSOLPILNM-OAQYLSRUSA-N 402.560 4.610 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C1CCCC1 223305571 YOZYDRGELFCJFP-WWPVKYPJSA-N 424.614 4.767 0 40 HJAB CCC[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224067826 HCHZQNFLJAYLSB-LBPRGKRZSA-N 415.342 4.713 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 224269098 WWRANPISZWMGSL-FQEVSTJZSA-N 418.990 4.684 0 40 HJAB Cc1cc(O[C@H](C)C(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1Cl 224534929 CKWKANWEZDOKAZ-GOSISDBHSA-N 400.950 4.718 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)c1 224842395 FXBRXKFAUZPFNG-HXUWFJFHSA-N 424.560 4.851 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C(F)(F)F)cc3)o2)c(OC)c1 224868572 VOJVOQHHCDCNKD-UHFFFAOYSA-N 420.387 4.949 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 224977078 AVQIFHPPGBOYCE-PMACEKPBSA-N 412.599 4.809 0 40 HJAB CC(C)Sc1nnc(NC(=O)CSCc2ccc(Br)cc2)s1 225113886 LYUOBIDCNNSBDU-UHFFFAOYSA-N 418.407 4.673 0 40 HJAB Cc1cc(C)c(OCC(=O)Nc2cc(Cl)c3nc(NN)sc3c2)c(Cl)c1 226313584 XTXAXMGMBODEDM-UHFFFAOYSA-N 411.314 4.523 0 40 HJAB CNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)CC(C)(C)C)CC1 257265812 MAKVEINNOCDFFY-UHFFFAOYSA-N 424.560 4.826 0 40 HJAB O=C(COc1cccc(F)c1)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257275334 NOWRPMUBBVUZBB-HXUWFJFHSA-N 414.864 4.800 0 40 HJAB O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O)c1ccccc1 409226471 TZLVZNOVHFFCLV-NVNXTCNLSA-N 408.262 4.618 0 40 HJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 613377828 VSTZEPDRIZFBNT-SJORKVTESA-N 420.384 4.629 0 40 HJAB COCCOC(=O)N1CCC([C@H]2CCCCN2Cc2ccc3ccccc3c2)CC1 2056226649 WSMYEIICUQIGQA-XMMPIXPASA-N 410.558 4.689 0 40 HJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN(C)C1CCCCC1 955176 DGCAKCVKXJXDSD-UHFFFAOYSA-N 400.544 4.795 0 40 HJAB CCOC(=O)c1c(NC(=S)Nc2ccccc2C)sc2c1CC(C)(C)OC2 1253955 MCNXXVATIKVHFX-UHFFFAOYSA-N 404.557 4.893 0 40 HJAB O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1 1265606 ZBUIFYHBCHONDU-DHZHZOJOSA-N 419.472 4.832 0 40 HJAB COc1ccc(-c2oc3ccccc3c(=O)c2Oc2nc(C)cc(C)n2)cc1OC 1292699 CULCOBFUAINQTO-UHFFFAOYSA-N 404.422 4.676 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccco1)c1ccccc1F 1380217 KFZDLZKBPPKCGG-JOCHJYFZSA-N 406.457 4.866 0 40 HJAB O=C(Nc1ccccc1)c1cc(Cl)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1 1400055 GMRMPEICRJGBIY-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB Cc1cccc(Oc2coc3cc(OC[C@@H](O)CN4CCCCCC4)ccc3c2=O)c1 1810987 SGXRSEQDDLYXPD-IBGZPJMESA-N 423.509 4.509 0 40 HJAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc4ccccc34)o2)cc1 2436605 CKGRYPGSPVSYGC-UHFFFAOYSA-N 405.479 4.553 0 40 HJAB CSc1nnc2c(n1)O[C@H](c1ccc(Br)s1)Nc1ccccc1-2 2738911 LNPGBMDICZKMFI-CYBMUJFWSA-N 407.318 4.588 0 40 HJAB O=C(CCCCNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccccc1 3058802 JHUBWHLLQWBYSU-UHFFFAOYSA-N 401.506 4.848 0 40 HJAB CCCC(=O)N[C@H](NC(=S)Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl 3142256 IHHNZSHGBNWIEL-OAHLLOKOSA-N 418.777 4.739 0 40 HJAB COc1ccc(C(=O)COC(=O)Cc2coc3ccc4ccccc4c23)cc1OC 3302288 OEUWZWMJYZUOSV-UHFFFAOYSA-N 404.418 4.572 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2cccc(F)c2)s1 4086636 YBVOQUUTYPHZCR-UHFFFAOYSA-N 409.895 4.884 0 40 HJAB COc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(C)cc2)cc1 4518120 LESWAWDLLRHBGK-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB COc1ccccc1[C@H]1C[C@H](c2ccc(C)cc2)N(C(=O)C(C)(C)C)c2ncnn21 4816950 PLCBKNKJQCBAOZ-WOJBJXKFSA-N 404.514 4.709 0 40 HJAB Cc1ccc(C(=O)CSc2nc3sc(C)cc3c(=O)n2Cc2ccco2)cc1 5000995 QLPWDPLEHAAHIB-UHFFFAOYSA-N 410.520 4.691 0 40 HJAB C[C@H]1CCCCN1C(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 5040006 BXXFKIXBUVQSHA-ZDUSSCGKSA-N 401.532 4.991 0 40 HJAB Clc1ccccc1-c1nnc2n1N=C(c1ccc(Br)cc1)CS2 5092998 SMTOEWJEUWPEQE-UHFFFAOYSA-N 405.708 4.719 0 40 HJAB COc1ccc(Br)cc1-c1nc(COC(=O)c2ccc(C)o2)cs1 6944646 GOAWIEFGCQKFLK-UHFFFAOYSA-N 408.273 4.840 0 40 HJAB COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)c(OC)c1 7016205 ZNZIXIPJCXUJJL-UHFFFAOYSA-N 403.438 4.710 0 40 HJAB O=C(NC1CC1)[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)c1ccccc1 7112622 HPAVQFJCKMYFSE-NRFANRHFSA-N 419.550 4.624 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 8709537 QDUZCOJCNHGOSP-JOCHJYFZSA-N 417.509 4.744 0 40 HJAB O=C(NCc1ccccc1CN1CCCCC1)c1ccccc1C(=O)c1cccs1 8745422 JYQDMGBIOLUMOS-UHFFFAOYSA-N 418.562 4.895 0 40 HJAB COc1ccc(NC2=NN=C(c3cc(C)n(Cc4ccco4)c3C)CS2)cc1OC 9111809 HXEVTUBSNPWBLJ-UHFFFAOYSA-N 424.526 4.682 0 40 HJAB Cn1c(SCc2nc(-c3ccccc3)no2)nnc1-c1ccc2c(c1)CCCC2 9193374 DYZUVEIMIAKCTF-UHFFFAOYSA-N 403.511 4.703 0 40 HJAB O=C(CNC(=O)c1ccc2ccccc2c1)Nc1ccc(N2CCCCCC2)cc1 9379135 UAMFPFMPAHPESC-UHFFFAOYSA-N 401.510 4.589 0 40 HJAB Cc1ccc2[nH]c(SCC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)nc2c1 9796779 NKLQPHPFBBZAMX-HNNXBMFYSA-N 422.579 4.979 0 40 HJAB Cc1ccc(Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(F)ccc32)cc1 9858953 RBGCNBMKLIOCNB-UHFFFAOYSA-N 421.493 4.639 0 40 HJAB COc1ccc([C@@H](NC(=O)N(C)CC(=O)Nc2cccc3ccccc23)C(C)C)cc1 9869229 ALLIHWRJLLCDEM-DEOSSOPVSA-N 419.525 4.826 0 40 HJAB CCc1sc(C(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cc1C 10220024 YVEVAXJUMRVNLT-UHFFFAOYSA-N 422.506 4.530 0 40 HJAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 10253581 JNYMOGGVHZSRFT-UHFFFAOYSA-N 419.506 4.664 0 40 HJAB Cc1cccc(C(=O)N[C@H](C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)C(C)C)c1 11072714 IJKIJRCBWYOPLY-DEOSSOPVSA-N 415.537 4.547 0 40 HJAB O=C(Nc1ccc(-c2nc(-c3cccc(N4CCCC4=O)c3)cs2)cc1)C1CC1 11181557 XMIWKZPWFMBEQG-UHFFFAOYSA-N 403.507 4.952 0 40 HJAB Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)cc1 12062334 XDNYVIJJPMYZER-UHFFFAOYSA-N 423.582 4.774 0 40 HJAB O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc(Cl)cc1 12329864 JPDYXERKSBHLFN-XZOQPEGZSA-N 423.940 4.877 0 40 HJAB O=C(Nc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1cccs1 12737111 RURQQKABXTUVCQ-IBGZPJMESA-N 423.538 4.550 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 12798364 VHFLOEFBKVDMTO-KDURUIRLSA-N 408.542 4.978 0 40 HJAB CC[C@H](Sc1nnc([C@H](C)Oc2ccc(F)cc2)o1)C(=O)Nc1ccc(F)cc1 12851175 AQUUYFMLDXDEDK-SJCJKPOMSA-N 419.453 4.997 0 40 HJAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)sc2c1CCCC2 13708525 OKPYFJLQBCTSPO-CQSZACIVSA-N 409.507 4.973 0 40 HJAB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(N2CCCCC2)cc1 14399218 BBWLFCXZJODDOD-UHFFFAOYSA-N 405.542 4.992 0 40 HJAB CC(C)(C)c1ccc(O)c(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 17360840 RTSAXNJURVYDAZ-UHFFFAOYSA-N 414.933 4.834 0 40 HJAB Cc1ccc(-c2csnn2)cc1NC(=O)CCc1nc2cc(Cl)ccc2n1C 19714217 FISZLMRCJYOBCP-UHFFFAOYSA-N 411.918 4.625 0 40 HJAB COc1ccc(C)cc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 20029839 NQJTVRCEVOMAJI-UHFFFAOYSA-N 413.339 4.842 0 40 HJAB CCCCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 20636578 VFOQDOILVPBIPL-SANMLTNESA-N 411.505 4.754 0 40 HJAB Cc1cc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c(C)n1Cc1ccco1 22487582 BGVWDIYUXYKJCM-UHFFFAOYSA-N 420.431 4.755 0 40 HJAB CC(C)c1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 27662502 AYKMFFYNQYHVFF-OAQYLSRUSA-N 400.588 4.984 0 40 HJAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1c(F)cccc1F 32578947 MFHWCEDMWKMWDQ-UHFFFAOYSA-N 407.376 4.699 0 40 HJAB O=C(C[S@@](=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCc1ccc(F)cc1 32801032 UYZGGJSJAMDCIY-DWACAAAGSA-N 415.917 4.634 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 33490628 VRGPNSBJYUWNHM-UHFFFAOYSA-N 422.506 4.867 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 44846492 PAGMKXICLNNRBO-LJQANCHMSA-N 422.550 4.620 0 40 HJAB CCc1cc(=O)n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(-c2ccc(F)cc2)n1 57508869 NEEQNYDFBLBRGH-UHFFFAOYSA-N 420.271 4.557 0 40 HJAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ccsc3)c2)cc1 58305128 PHVQSVQJTMEDHC-HNNXBMFYSA-N 414.552 4.744 0 40 HJAB CCOc1ccccc1CN(C)C(=O)c1cc(C)nc2cc(Br)ccc12 58421198 WDQNGMRSXYELFR-UHFFFAOYSA-N 413.315 4.977 0 40 HJAB O=C(Nc1nccn1Cc1ccccc1)c1cc2c(F)cc(Br)cc2[nH]1 58430590 KKGREMPYTWTIQT-UHFFFAOYSA-N 413.250 4.567 0 40 HJAB O=C1c2ccccc2C(=O)N1CN(C(=O)/C=C/c1ccccc1)c1ccccc1Cl 59502345 GSFNVDXYVVIPBA-CCEZHUSRSA-N 416.864 4.640 0 40 HJAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(F)cc3)oc12 67295695 MHUGUKFNYHYAPG-RWEWTDSWSA-N 403.413 4.769 0 40 HJAB CC(C)c1cc(C(=O)Nc2nnc(CCN3CCc4ccccc4C3)s2)cs1 72391484 PZGAVKKHVLBCTP-UHFFFAOYSA-N 412.584 4.576 0 40 HJAB O=C(Nc1ccccc1SCc1ccsc1)C(=O)N1CCC[C@H]2CCC[C@H]21 78948024 IQKQPURULIHEKS-SJLPKXTDSA-N 400.569 4.770 0 40 HJAB COc1cc(C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)ccc1OCc1ccccc1 79104820 KMENHGIHJNWJDB-AUSIDOKSSA-N 419.521 4.559 0 40 HJAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 96119021 URJURYFPFQSEOH-OAHLLOKOSA-N 422.535 4.941 0 40 HJAB COc1cc(C)c(CN2[C@H]3CC[C@H]2CC(O)(Cn2c(C)cc4ccncc42)C3)cc1C 100146070 NOYHCRCMGJONDS-GOTSBHOMSA-N 419.569 4.528 0 40 HJAB Cc1nnc(S/C(=C\c2ccc(-c3cccc(Br)c3)o2)C(=O)O)o1 211536293 VNJFWRYJPNPIDX-ZSOIEALJSA-N 407.245 4.618 0 40 HJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)OC)o1 222902913 BHUCNWFXJOFYPN-NHCUHLMSSA-N 421.522 4.511 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 223163572 KVVUWUHOKDROLE-QFIPXVFZSA-N 410.558 4.568 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 223317865 XZDYUIAYVXTIRN-NRFANRHFSA-N 414.977 4.995 0 40 HJAB Cc1ccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1Cl 224167910 MCKGERFJOISUBZ-UHFFFAOYSA-N 421.368 4.709 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 224742055 LURMZRLRRNCOAW-KRWDZBQOSA-N 418.990 4.684 0 40 HJAB CN(c1ccc(Br)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl 224941368 WHWHUSXVCCYCII-UHFFFAOYSA-N 413.095 4.720 0 40 HJAB COc1ccc(S(=O)(=O)N(C)c2cc(C(F)(F)F)ccc2Cl)cc1Cl 224964264 SZABDAZJOWIZSG-UHFFFAOYSA-N 414.232 4.846 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 225524893 KMNLIPNMGLFBPR-NFBKMPQASA-N 424.585 4.713 0 40 HJAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 225709307 GGRWSOULXIAHJZ-UHFFFAOYSA-N 417.339 4.752 0 40 HJAB Brc1ccccc1Nc1ncncc1-c1nc(-c2ccsc2)no1 252483129 DVRTZMUFWXVFNM-UHFFFAOYSA-N 400.261 4.761 0 40 HJAB Cc1c(Cl)cccc1S(=O)(=O)NC(=O)c1ccccc1Oc1ccccc1 257295511 QYPDPHYZIZYUPI-UHFFFAOYSA-N 401.871 4.559 0 40 HJAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)o1 257307989 TUZUITQHPNXTTF-LJQANCHMSA-N 415.493 4.775 0 40 HJAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(O)ccc5ccccc45)OCC[C@@]31C2 257338602 YYDWDQSJDBTBIZ-IVQNWTLBSA-N 423.553 4.581 0 40 HJAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 408562506 QKEOLFZELYOXMK-UHFFFAOYSA-N 415.559 4.630 0 40 HJAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 408608909 XNCISHRMALCLEV-MRXNPFEDSA-N 411.310 4.609 0 40 HJAB COc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 408699727 VYXAQMLVFUQIJO-UHFFFAOYSA-N 404.857 4.849 0 40 HJAB Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1cccnc1 409008009 UMNHYABADOHVKT-STZFKDTASA-N 403.507 4.768 0 40 HJAB COc1cc(CNc2ccccc2Cl)ccc1OS(=O)(=O)c1ccccc1 409179330 OSTHNXBZFONCLT-UHFFFAOYSA-N 403.887 4.728 0 40 HJAB Cc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 409410871 RMXBZVGBWLDFAT-UHFFFAOYSA-N 422.550 4.651 0 40 HJAB O=C(Nc1cccc(F)c1)C1CCN(C(=O)NC2CCC(c3ccccc3)CC2)CC1 523796709 YUNHZMNBFNNSSC-UHFFFAOYSA-N 423.532 4.912 0 40 HJAB COc1ccc([C@@H](NC(=O)N2CCc3c([nH]c4ccccc34)C2)C(C)C)cc1OC 604403906 DEFSFASOKJKJBR-QHCPKHFHSA-N 407.514 4.650 0 40 HJAB biogenic CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(CC)cc1 684486 NRYLSFQXHQMFQV-OAQYLSRUSA-N 406.511 4.657 0 40 HJAB COc1ccc([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3ncnn32)cc1OC 803094 UYHGBEIZHCDFHG-HZPDHXFCSA-N 405.285 4.748 0 40 HJAB O=C(c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12)N1CCc2ccccc2C1 845176 YZNXLRNINVOYGC-UHFFFAOYSA-N 422.410 4.614 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1)C1CC1 1238229 RFPJZOGZXMHTDE-UHFFFAOYSA-N 407.470 4.501 0 40 HJAB COc1cccc(OC)c1C(=O)N(CC(C)C)c1nnc(-c2ccc(C)cc2)s1 1356382 JQUQNCYTGAIQQQ-UHFFFAOYSA-N 411.527 4.834 0 40 HJAB COc1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)c(OC)c1 2150778 GDVLEBFNYRLFJD-UHFFFAOYSA-N 421.449 4.745 0 40 HJAB biogenic CCCCCOC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12 2398098 NWFNTHIAQOHLHF-UHFFFAOYSA-N 404.470 4.512 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3234807 REOANQGBOQHHLX-GHMZBOCLSA-N 411.342 4.671 0 40 HJAB CCCCO[C@H]1C[C@@H](c2ccc(OCc3ccc(OC)cc3)c(OC)c2)N(C)O1 4002176 KHROVKCHSKLFGG-NZQKXSOJSA-N 401.503 4.734 0 40 HJAB Cc1cc(C(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1CCc1ccc(F)cc1 4434987 RJGXRQSYSVWBBD-UHFFFAOYSA-N 419.452 4.855 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3)n2C)c(C)c1 4648705 WZWFLFZCMIRGGY-QGZVFWFLSA-N 410.543 4.611 0 40 HJAB COc1ccc2ccccc2c1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccc(C)cc1 4713495 ZRVQNFWWXHRHBN-QFIPXVFZSA-N 417.534 4.588 0 40 HJAB CCOc1ccc(NC(=O)Nc2nc(SCCOc3ccccc3)ns2)cc1 4898368 DARPSSDWWXYHLN-UHFFFAOYSA-N 416.528 4.752 0 40 HJAB Cc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c1 5017277 ZAKSNAKKFGWVOU-UHFFFAOYSA-N 410.524 4.853 0 40 HJAB CCCCOC(=O)c1cc(NC(=O)Cn2cc(C=O)c3ccccc32)ccc1Cl 5946208 JKSFTUKMLMGLIA-UHFFFAOYSA-N 412.873 4.703 0 40 HJAB CCCNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2 6274143 LQNXKIZBFZDDFA-PEZBUJJGSA-N 420.534 4.856 0 40 HJAB Cc1occc1-c1nnc(SCc2ccc(C(=O)Nc3ccccc3)cc2)n1C 6651523 LDXQAFPBODXSDG-UHFFFAOYSA-N 404.495 4.928 0 40 HJAB CCc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc1 6752865 NHCSVPYHBLUKIR-XMMPIXPASA-N 419.525 4.705 0 40 HJAB C[C@H]1c2cc3c(cc2CCN1C(=O)c1cccnc1Oc1ccccc1)OCCCO3 6758146 XIFCFWKEKLEMMA-KRWDZBQOSA-N 416.477 4.795 0 40 HJAB O=C1Nc2ccccc2Oc2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc21 6885885 NWBZSTHCSGGAFX-UHFFFAOYSA-N 406.397 4.998 0 40 HJAB CCn1cc2nc(SCc3cc(C)ccc3C)n(CCc3ccccc3)c(=O)c2n1 7006399 KAUCIQZFQGBZMB-UHFFFAOYSA-N 418.566 4.765 0 40 HJAB aggregator CCc1nnc(S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)O)o1 7365607 MEBSPQUSOAKEQJ-UNOMPAQXSA-N 405.479 4.853 0 40 HJAB COCCc1ccc(-c2csc(NC(=O)COc3cccc(Cl)c3)n2)cc1 8037709 MLGVUDVUNOTXLZ-UHFFFAOYSA-N 402.903 4.670 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)cc1 8583684 JDOIAKIQEOSFJT-UHFFFAOYSA-N 422.872 4.734 0 40 HJAB O=C(COC(=O)CCCSc1nc2ccccc2s1)Nc1ccc(F)c(F)c1 9509675 AIIFDXXOEWXBBH-UHFFFAOYSA-N 422.478 4.629 0 40 HJAB O=C(Nc1ccccc1C(=O)Nc1ccnn1Cc1ccccc1Cl)c1ccco1 9614002 FMFLORSUIJKXJE-UHFFFAOYSA-N 420.856 4.682 0 40 HJAB O=c1cc(CSc2ncnc3c2oc2ccccc23)nc2sc3c(n12)CCCC3 9960553 QOVWGTFNIBDNBW-UHFFFAOYSA-N 420.519 4.617 0 40 HJAB O=C(c1ccc(Br)o1)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1 10254570 GSPWBQLCVTYTRD-UHFFFAOYSA-N 411.683 4.948 0 40 HJAB C[C@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)N[C@@H]1CCCc2ccccc21 10563280 VNMYNGAWEQBGEC-HTAPYJJXSA-N 419.477 4.598 0 40 HJAB C[C@H]1Sc2ccc(C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)cc2NC1=O 11073019 GORWYCJBXRKDER-CQSZACIVSA-N 403.507 4.530 0 40 HJAB CC(C)(C)Nc1c(C2CCN(C(=O)CCc3ccccc3)CC2)nc2ccccn12 12127713 MXWHYOJAZOYONG-UHFFFAOYSA-N 404.558 4.884 0 40 HJAB COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 12575922 GGTBYVSNLZCOEO-PXDATVDWSA-N 414.461 4.709 0 40 HJAB Cc1ccc(N(Cc2ccccc2)C(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)cc1 12888932 HHLMHQXLOZLOMV-SFHVURJKSA-N 423.538 4.585 0 40 HJAB COc1cc(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)ccc1C 12937972 OTWCFTSQZKAAJO-UHFFFAOYSA-N 406.404 4.552 0 40 HJAB CCc1ccccc1N1C[C@@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1=O 12940232 AMANTWPGRUPWPL-FXAWDEMLSA-N 419.550 4.575 0 40 HJAB COc1ccc(C(=O)Oc2c(C)cc(Br)cc2Cl)c(OC)c1OC 13137644 BHHGSYXWMCERNJ-UHFFFAOYSA-N 415.667 4.656 0 40 HJAB CCOc1ccc(N2C(=O)N(Cc3cccc(C)c3)c3ccccc3S2(=O)=O)cc1 15826598 BCIMFZKQEILDIM-UHFFFAOYSA-N 422.506 4.729 0 40 HJAB COc1ccc(C(C)=O)cc1NC(=O)C1=Cc2cc(Br)ccc2OC=C1 15838627 OOEALUMNGHDIRO-UHFFFAOYSA-N 414.255 4.589 0 40 HJAB CCc1nc2sc([C@@H](c3cccc(C(F)(F)F)c3)N3CCC[C@@H](C)C3)c(O)n2n1 16690051 MZUKNHVZUQMFLD-MLGOLLRUSA-N 424.492 4.899 0 40 HJAB O=C(CCc1csc(NC(=O)NC2CCCCC2)n1)NCCC1=CCCCC1 16849273 KCPBLZXMPVHVBL-UHFFFAOYSA-N 404.580 4.537 0 40 HJAB CCOc1ccccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 17087371 DXUQMAJIIYSCDQ-UHFFFAOYSA-N 406.507 4.791 0 40 HJAB O=c1[nH]c(CN2CCC[C@@H](c3nc4ccccc4s3)C2)nc2cc(Cl)ccc12 23883274 HKTFMEMFOZGTTJ-CYBMUJFWSA-N 410.930 4.566 0 40 HJAB COCc1c(C(=O)OCCOc2ccccc2C(C)=O)sc2cccc(F)c12 24833106 PKIRZKWAXSZXMT-UHFFFAOYSA-N 402.443 4.625 0 40 HJAB COC(=O)c1c(NC(=O)COc2ccccc2C(C)C)sc2c1CC[C@@H](C)C2 28284610 NSAUCZISKPSNNR-CQSZACIVSA-N 401.528 4.800 0 40 HJAB COc1ccc(CC(=O)Nc2cccc(-c3noc(-c4ccc(F)cc4)n3)c2)cc1 28304088 JCNLWRKBUZXONR-UHFFFAOYSA-N 403.413 4.733 0 40 HJAB Cc1c(C(=O)Nc2ccnn2Cc2ccco2)oc2cc(Br)ccc12 32593424 ALVRRBXGJHBVTE-UHFFFAOYSA-N 400.232 4.594 0 40 HJAB CC(C)[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2ccccc2[nH]1 32879265 DUIHDYYTTVRZFW-JOCHJYFZSA-N 424.451 4.942 0 40 HJAB O=C(Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1)C1CCCCC1 33000277 HRJOSHDVOKWJBW-UHFFFAOYSA-N 403.573 4.530 0 40 HJAB O=C([C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2)N1CCCC1 36367248 YTQVZVXJVXCBJM-QFIPXVFZSA-N 406.501 4.895 0 40 HJAB O=C(CCn1cnc2ccccc21)NCc1cn(-c2ccccc2)nc1-c1ccccc1 39995580 HIDNFSOKJHOMSF-UHFFFAOYSA-N 421.504 4.596 0 40 HJAB COc1ccc(Cl)cc1NCCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 48288089 DZUHGWSGKRARJM-UHFFFAOYSA-N 400.828 4.828 0 40 HJAB CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2cc3ccc(Cl)cc3[nH]2)cc1 48324598 MLZGAWNWVIFHHO-UHFFFAOYSA-N 421.884 4.617 0 40 HJAB C[C@H]1c2ccsc2CCN1C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 49581379 AFJYENDFSFYNKZ-PKOBYXMFSA-N 418.562 4.899 0 40 HJAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(Cl)cc1 57347648 FSIUSELILABSLR-QGZVFWFLSA-N 421.928 4.559 0 40 HJAB O=C(CNc1ccc(Br)c(C(F)(F)F)c1)N1CCc2sccc2C1 58079744 CDNHVDQEFKFFEJ-UHFFFAOYSA-N 419.266 4.526 0 40 HJAB O=c1c2ccccc2c(-c2nc(-c3cccc(Cl)c3)no2)nn1-c1ccccc1 64949557 XLPBWHXJAYCLFH-UHFFFAOYSA-N 400.825 4.756 0 40 HJAB Cc1cc2nc(C)c(CCC(=O)N[C@H](C)c3cc(F)c(Cl)cc3Cl)c(C)n2n1 65623115 ACMKLILCWCUYBP-GFCCVEGCSA-N 423.319 4.910 0 40 HJAB Cc1ccc(F)cc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@H]1CCCO1 67293033 NEYBPVBRTZOUCH-LYYOGKFUSA-N 414.864 4.675 0 40 HJAB O=C(c1cc[nH]n1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349791 LKOTWNAMCFETHY-OAHLLOKOSA-N 400.404 4.510 0 40 HJAB c1ccc(-c2cnc3c(c2)[C@H](N2CCCC2)n2nc(-c4cccnc4)nc2S3)cc1 72396303 HWHHXMBTWFYQON-JOCHJYFZSA-N 412.522 4.509 0 40 HJAB COc1ccc(NCN2C(=O)S/C(=C/c3ccc(C(C)=O)cc3)C2=O)cc1Cl 85406301 ZAUNJOBQEXSVKX-GIJQJNRQSA-N 416.886 4.657 0 40 HJAB C[C@@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)c1ccc(C[C@H]2CCCC2=O)cc1 95472213 KXACXPSPZJFNSK-VQIMIIECSA-N 406.501 4.681 0 40 HJAB COc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4C)CC3=Nc3ncnn32)cc1OC 102662134 WAJRZZRHUWXUKC-HJPURHCSSA-N 416.481 4.669 0 40 HJAB COc1ccc(CNC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)cc1OC 102804560 RYDFHTRPVLICSI-XCGOXOSTSA-N 405.538 4.858 0 40 HJAB NNc1nc2c(Cl)cc(NC(=O)COc3ccc(Cl)cc3Cl)cc2s1 216787796 VWKZFQMJYUGSTQ-UHFFFAOYSA-N 417.705 4.560 0 40 HJAB CCOC(=O)c1cc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)ccc1Cl 219864089 KOJXMSZNJJSGAR-UHFFFAOYSA-N 400.906 4.680 0 40 HJAB CCc1cccc(C)c1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)cc1 222810113 KSBJNYBVEPZCPH-QNGOZBTKSA-N 404.466 4.569 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1Cc1cccnc1 223469299 DLHHLCIQUBRLRH-PKTZIBPZSA-N 417.582 4.956 0 40 HJAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 223877721 CSMBZKSDWSOELN-VXKWHMMOSA-N 404.539 4.881 0 40 HJAB Cc1c(Br)cnc(NC(=S)NCc2ccccc2Cl)c1Cl 223933313 KJQQUCWMOIYWFT-UHFFFAOYSA-N 405.148 4.946 0 40 HJAB Cc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224151578 ALZPEVPTVRJOSQ-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 225000934 KUWCEMJNUNNTFQ-VQTJNVASSA-N 412.599 4.642 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3C)n2)cc1 408695831 SXFRWQVYAHCVLH-UHFFFAOYSA-N 416.456 4.951 0 40 HJAB CCOc1ccc(Cl)cc1/C=C1\S[C](Nc2cc(C)ccc2OC)NC1=O 408811092 LABSKNOSTJCNRA-UHFFFAOYSA-N 403.911 4.819 0 40 HJAB CCN1C(=O)S/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C1=O 409139398 NHFLNWIIAXZKAH-MOSHPQCFSA-N 410.470 4.916 0 40 HJAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)ccc1OCc1ccc2ccccc2c1 409239334 PLQMZKLJSGCBDI-KGENOOAVSA-N 416.477 4.730 0 40 HJAB O=C1C[C@@]2(CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)Nc2ccccc2CN1 1615529794 NYOWDDVXENVUDN-QFIPXVFZSA-N 417.475 4.562 0 40 HJAB CCOc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(Br)c1OCC 822855 UQRCOIDAERXHOA-LCYFTJDESA-N 422.300 4.653 0 40 HJAB COc1ccc2nc(-c3ccccc3)nc(SCC(=O)NC3CCCCC3)c2c1 917209 JNDMOVVKMKUEPS-UHFFFAOYSA-N 407.539 4.846 0 40 HJAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 949724 USFJHLJNWJYQJZ-SFHVURJKSA-N 415.280 4.617 0 40 HJAB Cc1nc2ccc(NC(=O)C3CC3)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 1331500 QRQAXIHKNGFEBB-UHFFFAOYSA-N 409.489 4.769 0 40 HJAB CC(C)(C)OC(=O)N1CC[C@H](Nc2nc3ccccc3n2Cc2ccc(F)cc2)C1 2599352 SISOIGGGBXCPOY-SFHVURJKSA-N 410.493 4.645 0 40 HJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1ccccc1F 2690286 WMBHTHVGWCFTMG-UHFFFAOYSA-N 419.427 4.958 0 40 HJAB CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 3059358 XFVFPAYAEAOECT-UHFFFAOYSA-N 421.547 4.740 0 40 HJAB COC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 3658755 SSQYQQITSVGRBC-OAHLLOKOSA-N 419.506 4.750 0 40 HJAB C[C@@H](NC(=O)NCCCCCCNC(=O)N[C@H](C)c1ccccc1)c1ccccc1 4358683 OTHUDWXXFBTNND-WOJBJXKFSA-N 410.562 4.668 0 40 HJAB biogenic CC(=O)N1c2ccc(Br)cc2[C@@H](N(C(C)=O)c2ccccc2)C[C@@H]1C 4599585 SZFKGQPECYJXGT-RBZFPXEDSA-N 401.304 4.688 0 40 HJAB CC(C)Oc1ccc(C(=O)NC(=S)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 4657383 ZWYKGSIILJVXDE-SCUMNGBJSA-N 400.588 4.683 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1 4736793 ONNJBPZURXIHSQ-KGVSQERTSA-N 412.898 4.619 0 40 HJAB Cc1c(C)c2cc(Cl)c(OCC(=O)c3ccc(N4CCCC4)cc3)cc2oc1=O 4749099 JJBYSBFECLWGJX-UHFFFAOYSA-N 411.885 4.925 0 40 HJAB COc1cc(NC(=O)c2ccc(OCC(C)C)cc2)ccc1NC(=O)c1ccco1 5613901 PHNVYSGZXXYCJT-UHFFFAOYSA-N 408.454 4.828 0 40 HJAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1 5673526 XMGRJKXJZCFPJQ-SFHVURJKSA-N 416.477 4.869 0 40 HJAB C[C@@H](Sc1nccn1C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 6369952 RHCJUKFGWCRMBQ-CXAGYDPISA-N 414.918 4.525 0 40 HJAB C[C@H]1CSC(N(C(=O)/C=C/c2ccc3c(c2)OCO3)c2ccc(Cl)cc2)=N1 6579264 SMEYJOVUDUOMCO-FOWFJEMPSA-N 400.887 4.606 0 40 HJAB CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)ccc1OC 6954398 FVYBLKRKCPNNDA-XATRHVNRSA-N 412.511 4.726 0 40 HJAB CCOc1ccc(-c2nc(CN3C(=O)N[C@@](CC)(c4ccccc4)C3=O)cs2)cc1 7004057 XEDZUZFUCFZODJ-QHCPKHFHSA-N 421.522 4.566 0 40 HJAB CCN(C(=S)NC(=O)c1ccccc1OCCOc1ccccc1)c1ccccc1 7446200 VGPDGWNTQKXRKJ-UHFFFAOYSA-N 420.534 4.686 0 40 HJAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)n1C1CC1 7617617 RWIIFAKSHKEXPJ-OAHLLOKOSA-N 408.527 4.620 0 40 HJAB O=C(CNc1ccccc1N1CCCCC1)Nc1ccc(Br)cc1F 7973122 GFNVBLYDRYMKAL-UHFFFAOYSA-N 406.299 4.629 0 40 HJAB O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8093849 SFBPRXGJHUHOAI-GOSISDBHSA-N 402.523 4.561 0 40 HJAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc2c(c1)CCCC2 9193368 VZSGQWVEPGYLKL-UHFFFAOYSA-N 422.554 4.583 0 40 HJAB CCOc1ccc(Oc2ccc(S(=O)(=O)N(Cc3ccncc3)C3CC3)cc2)cc1 9616769 LDZRBWKANFWBBM-UHFFFAOYSA-N 424.522 4.626 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(Cl)cn1 9633007 VQJYBOOZZVDIHJ-UHFFFAOYSA-N 421.913 4.714 0 40 HJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@@H]3CCOc4ccccc43)cc12 9643023 CZLCGAMZFMJAPO-LJQANCHMSA-N 421.497 4.847 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCc3ccccc32)ccc1C 10112440 BDOXILWTLSWJMV-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB COc1ccc(-c2cc(-c3nn4c(-c5ccc(Cl)cc5)nnc4s3)n[nH]2)cc1 12323618 IVLGYMJTPXMFRB-UHFFFAOYSA-N 408.874 4.572 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCc1nc(-c2ccccc2)oc1C 12475531 MRIPTUSJTJGUCH-UHFFFAOYSA-N 401.466 4.869 0 40 HJAB CCCOc1ccccc1NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1 12762512 YJCIKSVNXOSYNO-UHFFFAOYSA-N 406.511 4.891 0 40 HJAB O=c1[nH]c(CSc2nnc(C3CCCCC3)o2)nc2scc(-c3ccco3)c12 12816007 GTBOVKFMPCOOIF-UHFFFAOYSA-N 414.512 4.968 0 40 HJAB COc1ccc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc3nccnc3c2)cc1 12981276 WTVBWLNRYGUMJA-XMMPIXPASA-N 408.461 4.630 0 40 HJAB Cc1cccc2sc(C(=O)NCc3ccc(CN4CCOCC4)cc3)c(Cl)c12 13015108 PARBXICWQFDDDW-UHFFFAOYSA-N 414.958 4.625 0 40 HJAB C[C@@H]1CCc2c(sc3nc(CCN4CC=C(c5ccccc5)CC4)nc(N)c23)C1 14070227 JLBWSEPMVYXQAN-MRXNPFEDSA-N 404.583 4.730 0 40 HJAB Cc1oc2cc(OS(=O)(=O)c3cccs3)ccc2c(=O)c1Oc1ccccc1 14100885 CDRZCTAWACQTMK-UHFFFAOYSA-N 414.460 4.723 0 40 HJAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)cc1 17092740 QBVAHFXIMORYSE-UHFFFAOYSA-N 421.522 4.570 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(F)cc2)cc1C 17206188 MUPJYDUUZCXIMU-UHFFFAOYSA-N 422.485 4.930 0 40 HJAB O=C(C1CC1)N1CCC(c2nc(-c3ccc(Cl)cc3)ncc2-c2ccncc2)CC1 19336997 IIJAKOJXIXELOK-UHFFFAOYSA-N 418.928 4.975 0 40 HJAB O=C(c1cccnc1)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 19337483 PWNJWLAAUPRZDA-AWEZNQCLSA-N 418.444 4.639 0 40 HJAB CCCOc1ccccc1CN1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 19525166 JSLROESNQPFBPV-HXUWFJFHSA-N 421.545 4.632 0 40 HJAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cc(-c2ccccn2)nc2ccccc12 19666523 WYQMXZCJGAQARZ-UHFFFAOYSA-N 421.460 4.619 0 40 HJAB O=C(Cc1coc(-c2ccccc2)n1)Nc1cccc(NC(=O)c2cccs2)c1 21142483 VOIZDQKVFHJLHF-UHFFFAOYSA-N 403.463 4.837 0 40 HJAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)no2)cc1 21805400 IKQCKYGIBSJIST-NRFANRHFSA-N 409.917 4.870 0 40 HJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 22531625 BSXKCNAKZVLYLB-SFHVURJKSA-N 415.946 4.647 0 40 HJAB COC(=O)c1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)c(Br)c1 23075035 YGCFWHIYUIKBRQ-UHFFFAOYSA-N 423.650 4.518 0 40 HJAB CCOC(=O)c1c(NC(=O)Cc2csc(-c3ccsc3)n2)sc(C)c1C 23200011 KXXJMVXUMNCXKK-UHFFFAOYSA-N 406.554 4.908 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3ccc(Br)c4cccnc34)n[nH]2)c1 28229769 HLDAMPHOVISUEL-UHFFFAOYSA-N 423.270 4.648 0 40 HJAB C[C@@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cn1 28804130 RTSXTCFGEBMXOC-UZLBHIALSA-N 418.928 4.965 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 32093710 HFXZUDUYMCPHJV-MRXNPFEDSA-N 400.360 4.740 0 40 HJAB C[C@H](NC(=O)CCc1nc2ccccc2[nH]1)c1cccc(NC(=O)c2ccccc2)c1 32740216 KMIZDSQJJUPKKC-KRWDZBQOSA-N 412.493 4.625 0 40 HJAB CCn1c(COc2cccc(C)c2)nnc1SCc1cc(=O)c2cc(C)ccc2[nH]1 33064337 GVXIGINNCVWFBI-UHFFFAOYSA-N 420.538 4.628 0 40 HJAB C[C@@H]1CCCN(C(=O)COc2ccccc2-c2noc(/C=C/c3ccc(F)cc3)n2)C1 33325269 PCPYSQZMVFRUDJ-JIIJFUIFSA-N 421.472 4.683 0 40 HJAB O=C(Nc1nnc(SCc2nc3ccccc3[nH]2)s1)c1ccccc1Cl 40311974 JGHQUORQCGDCDU-UHFFFAOYSA-N 401.904 4.612 0 40 HJAB COc1ccc(-c2cn3c(NC(C)(C)C)c(-c4ccc(O)c(OC)c4)nc3cn2)cc1 57729992 HVDSGFAVJDICOD-UHFFFAOYSA-N 418.497 4.997 0 40 HJAB O=C(Nc1ccc(I)cn1)c1ccc(Oc2ccccc2)cc1 59520289 XVVVBSKYPGGWEW-UHFFFAOYSA-N 416.218 4.731 0 40 HJAB Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 72354000 MNYFKUHLWJOZMX-HXUWFJFHSA-N 422.960 4.696 0 40 HJAB C[C@H](NC(=O)C(C)(C)[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccccn1 95451134 BYDAIOVNWBDQOR-MBSDFSHPSA-N 404.510 4.598 0 40 HJAB Cc1cc(C=O)c(C)n1N(Cc1ccc(Br)cc1)C(=O)c1ccccc1 96525878 BDXXIOVXXUYAEO-UHFFFAOYSA-N 411.299 4.659 0 40 HJAB Cc1ccc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)c(OCc2ccccc2)c1 97164662 KODWGKHCXYWXFJ-QFIPXVFZSA-N 407.558 4.914 0 40 HJAB CC(C)(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 103718716 KYSJOKZKWBDVBE-CQSZACIVSA-N 404.432 4.995 0 40 HJAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C[C@H](O)C(F)(F)F 118915664 JVSPILBDVWXPBS-NPYIMLGJSA-N 416.524 4.889 0 40 HJAB in-vitro COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(Cl)c1Cl 222928333 HXYHPAHRAFEBOW-LBPRGKRZSA-N 414.354 4.920 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 223355794 PMLPORMWUNAEIN-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)ccc1Br 224242455 IUZFMZQLLUJWRX-UHFFFAOYSA-N 411.299 4.761 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224730857 XRMFWFHITIUFTM-IBGZPJMESA-N 410.533 4.543 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccccc1CN1CCCC1 224800874 BWWPBIKCPAWRJD-JOCHJYFZSA-N 400.950 4.718 0 40 HJAB CCC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225269125 JQYGUTLWUDWYMF-DEOSSOPVSA-N 406.570 4.794 0 40 HJAB Cc1ccc(SCCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)cc1 225498014 KXVZQXFDBVNKDP-HXUWFJFHSA-N 412.599 4.728 0 40 HJAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)cc1Cl 225642748 UBTCKPRZWPXDBM-CQSZACIVSA-N 406.935 4.579 0 40 HJAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)C1c2ccccc2Oc2ccccc21 238958044 YDXXHIDRIFJVBJ-XMMPIXPASA-N 417.486 4.631 0 40 HJAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(Cc4ccncc4C)C3)cc2N1 253602797 RWCYJNURQPBREZ-YQVWRLOYSA-N 407.484 4.664 0 40 HJAB O=C(NC1CCCCCC1)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 306132809 LSRADRXPERAVMS-UHFFFAOYSA-N 413.525 4.699 0 40 HJAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1 409341816 CGYUGLCDHZMIAY-DEDYPNTBSA-N 424.522 4.884 0 40 HJAB CCOc1c(Cl)cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1Cl 409393047 OTDBPGQTLNYMLD-MFOYZWKCSA-N 419.333 4.779 0 40 HJAB CC(C)c1ccc(CCc2nc(N(C)CCc3ccccc3)ncc2C(=O)O)cc1 585266251 ZHBOPPASVGLRHA-UHFFFAOYSA-N 403.526 4.762 0 40 HJAB CC(C)c1cnc(Nc2cccc([C@H]3CN(C(=O)C4CCCCC4)CCO3)n2)s1 2037836116 RABJDTTXSIJXQD-GOSISDBHSA-N 414.575 4.885 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)c1nc(Cc2ccccc2)oc1N1CCCCC1 635321 NALQZZVOLCTZDT-UHFFFAOYSA-N 416.930 4.742 0 40 HJAB Cc1cc(NC(=O)c2ccccc2)c(C(C)C)c(S(=O)(=O)c2ccccc2)c1O 973931 QZPVFTBDOHDDPU-UHFFFAOYSA-N 409.507 4.909 0 40 HJAB COc1ccc([C@H]2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)cc1OC 2206586 KRKLIWZQEHVWOL-GOSISDBHSA-N 413.477 4.635 0 40 HJAB COc1ccccc1C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C(C)C)cc1)CC2=O 2211314 HFWKMNCOIAUKLW-GOSISDBHSA-N 415.493 4.774 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)sc(C)c1C 2343002 QUPNNUVWUGQQCE-UHFFFAOYSA-N 419.886 4.862 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(COc2ccccc2Cl)o1 3364584 YTRCZGWBYKKNSL-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB CCCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(CC)ccc21 4193421 MCUSTIVALRQDOA-UHFFFAOYSA-N 403.931 4.850 0 40 HJAB CN(C)CCN(C(=O)CCSc1ccccc1)c1nc2c(F)cccc2s1 4359299 FZZCDHLBFZFYPC-UHFFFAOYSA-N 403.548 4.512 0 40 HJAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 5241747 WAVMFARMNXVECR-UHFFFAOYSA-N 414.552 4.781 0 40 HJAB COc1ccc([C@@H](Cc2ccccc2)N(C)C(=O)C(=O)c2c[nH]c3ccccc23)cc1 5345946 OEKFTVOFEBYOJQ-XMMPIXPASA-N 412.489 4.802 0 40 HJAB COc1ccc(CSc2nc3ccccc3c(=O)n2CCCOC(C)C)cc1F 5568607 SJELBNLZMCEJOC-UHFFFAOYSA-N 416.518 4.652 0 40 HJAB O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(F)cc1 5590635 XUMSWEBXMAAXDU-UHFFFAOYSA-N 409.417 4.900 0 40 HJAB Cc1noc(C)c1COC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 6078375 AZYZHKDTWQUZKS-FQEVSTJZSA-N 412.873 4.549 0 40 HJAB O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)NCC(F)(F)F 6309652 YNIMCROMIUZVAS-UHFFFAOYSA-N 413.852 4.509 0 40 HJAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1ccc(OC(C)C)cc1 6543369 XKYLGJCVSWFZNF-UHFFFAOYSA-N 421.497 4.587 0 40 HJAB COc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCC2)cc1 8917592 BMSVBQGDZJKKSR-FQEVSTJZSA-N 412.917 4.970 0 40 HJAB O=c1c(Cl)c(N2CCC[C@H](c3nc4ccccc4s3)C2)cnn1-c1ccccc1 9727792 RAOBUZRNUHAYND-HNNXBMFYSA-N 422.941 4.880 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc34)o2)cc1 9879397 QOANEUZRYRITGT-UHFFFAOYSA-N 405.479 4.841 0 40 HJAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccc(F)cc4)cc3C[C@H]2C)cc1 10326640 GKIUNOSWXGNDKB-MRXNPFEDSA-N 424.497 4.526 0 40 HJAB CC(C)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)n2nnnc2N3)cc1 10337005 POKUNDDUCOLHGT-DNQXCXABSA-N 422.492 4.751 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2Cl)cc1 10978118 QRUMDKRZLWJVJX-GFCCVEGCSA-N 412.711 4.757 0 40 HJAB Cc1cccc(Nc2ccccc2C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1C 11362613 ZBYMJWAPCQLYFI-UHFFFAOYSA-N 409.511 4.671 0 40 HJAB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(Cl)cn3)c3ccccc3C2=O)cc1C 12648046 QFNDFTAKFXSTMX-DEDYPNTBSA-N 403.869 4.992 0 40 HJAB C[C@@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)Nc1cccnc1Cl 15805499 YDWSRZVWDQKMAW-MRVPVSSYSA-N 413.257 4.926 0 40 HJAB CN(C)c1cccc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c1 19585029 PNRFRSWKOWEGBU-UHFFFAOYSA-N 416.447 4.668 0 40 HJAB Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCc3nnc(-c4ccccc4)o3)c2c1 19719163 MEPRBPOIFFWMJM-UHFFFAOYSA-N 421.460 4.585 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 19934210 FBWIZVBIDKPWMN-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB Cc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 19946344 OAOLOJRVPHKMNL-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)ccc1Cl 20610435 AYOHRVXKYQYGDD-UHFFFAOYSA-N 410.836 4.539 0 40 HJAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2COc2ccccc2)CC1 23040825 GJOLXEZUGKUABQ-UHFFFAOYSA-N 414.505 4.757 0 40 HJAB O=C(CCSc1ccc(F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 24776702 ZZNGNEXZGGRIMM-LJQANCHMSA-N 401.503 4.833 0 40 HJAB C[C@@H](c1cc2ccccc2o1)N(C)Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 26925056 JZVPGEJZBFXBDF-AWEZNQCLSA-N 424.501 4.546 0 40 HJAB CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)c1 28813220 WBDUTIZOBKXTER-UHFFFAOYSA-N 415.511 4.545 0 40 HJAB Cc1ccccc1OCC(=O)Nc1cnc(C)n1-c1nc(-c2cccs2)cs1 35682759 JMDQHGBVFGLNPY-UHFFFAOYSA-N 410.524 4.692 0 40 HJAB CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)s1 35897789 JDNUHGUKYOZZEW-CFGMGRTJSA-N 424.522 4.585 0 40 HJAB COCCCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c12 36618526 BBZZNJSIIYANRT-UHFFFAOYSA-N 411.458 4.524 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)c(C)c1 59227409 ZWANPMZCSMRMJU-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB C[C@@H](NC(=O)COc1ccc2c(c1)OC(C)(C)CC2=O)c1ccc2ccccc2c1 65206579 OACGEBCCVMBPKM-MRXNPFEDSA-N 403.478 4.840 0 40 HJAB CC(C)Oc1ccc(-c2noc(Cc3nc(-c4ccc5c(c4)OCO5)cs3)n2)cc1 67246077 CIIIJWWYDUCXHT-UHFFFAOYSA-N 421.478 4.967 0 40 HJAB Cc1c(Cl)cccc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 67293369 LEJBQOYPDSKGSA-LVWGJNHUSA-N 405.841 4.980 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4cccs4)no3)c(C)c2c1 71761908 ZODGDDBMGNIUNM-UHFFFAOYSA-N 417.512 4.550 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Br)cc2)n2nc(C)cc2N1 72332696 SDKWNTAWASBBBH-FQEVSTJZSA-N 423.314 4.882 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4)n3)C2)cc1 72349568 ZBGXIOSWKDTDCQ-JOCHJYFZSA-N 400.522 4.630 0 40 HJAB Cc1ccccc1-n1ncc(C(=O)N[C@@H](C)c2nc(C3CCCC3)no2)c1C1CC1 78935768 DLBPXPRCVVHOOM-HNNXBMFYSA-N 405.502 4.590 0 40 HJAB CCCCC1CCC(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)CC1 78996244 PQLMFHKWNNDFKJ-VIQWUECVSA-N 404.570 4.961 0 40 HJAB CC[C@H](C(=O)N1CCc2nc(NC(=O)c3ccsc3)sc2C1)c1ccccc1 90582869 JJGVOOGKUDKCOE-INIZCTEOSA-N 411.552 4.535 0 40 HJAB O=C(NCc1cccc(F)c1)NC1(c2nc(-c3ccsc3)no2)CCCCC1 90590636 AMVPKMNXNQRYCW-UHFFFAOYSA-N 400.479 4.596 0 40 HJAB CC(C)Cc1sc(Cl)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 96231333 KGALURIKTRUDCH-UHFFFAOYSA-N 402.951 4.891 0 40 HJAB COc1cccc(-c2noc3nc(C)cc(C(=O)N[C@H](C)[C@@H]4C[C@H]5CC[C@H]4C5)c23)c1 104070532 VHUMOFQGOJFRHK-DRMAHVMPSA-N 405.498 4.761 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3c(C)cccc3C)c2)cc1 222539983 RGANXGFEWUINEZ-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222827341 FPBJDROALIBLGO-QGZVFWFLSA-N 400.950 4.605 0 40 HJAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223537754 HGMWNYOLMBXSAA-AVRDEDQJSA-N 414.977 4.995 0 40 HJAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)cc3)c2)c(OC)c1 224124359 ARZZPJOOSBLEFL-UHFFFAOYSA-N 407.466 4.852 0 40 HJAB CCCC[C@@H](CC)CNC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 224773487 AZBMGGAVWOBGGY-QGZVFWFLSA-N 417.015 4.527 0 40 HJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 224863110 NRMRQLWJOIGTDG-UHFFFAOYSA-N 411.567 4.988 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 225613710 IDAWRZHVKMGOAC-PGRDOPGGSA-N 414.977 4.913 0 40 HJAB O=C(O)c1ccc(CN(Cc2ccco2)C(=O)c2ccc3nc(Cl)sc3c2)o1 225980558 NVNCRJJCQXIVMC-UHFFFAOYSA-N 416.842 4.677 0 40 HJAB CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)n(C)n1 257206782 BEWJDNJPNLDGBE-FQEVSTJZSA-N 410.493 4.629 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccccc3C)c2)cc1 260565857 WXLLPFJEFVLJEW-LJQANCHMSA-N 422.550 4.620 0 40 HJAB CC(C)Oc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 408607459 MKOKBDONTCWUCZ-UHFFFAOYSA-N 410.495 4.527 0 40 HJAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1 408615411 QBEIUXJTLQDIMN-UHFFFAOYSA-N 423.310 4.940 0 40 HJAB CCOc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 409174837 VWCYNXOWLZHCDG-XNTDXEJSSA-N 421.678 4.599 0 40 HJAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 409215756 FASWISDSYUMEMZ-BOPFTXTBSA-N 418.902 4.553 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 409361602 DHWQWJWPXHPUNM-IBGZPJMESA-N 422.550 4.606 0 40 HJAB Cc1ccc(OCC(=O)O[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 1514852245 ZQAGGCMVVOBOLO-LJQANCHMSA-N 405.281 4.862 0 40 HJAB Cc1ccc(Cl)cc1Oc1ccccc1CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1 1644666641 CMLDZELGORDPSY-INIZCTEOSA-N 409.917 4.927 0 40 HJAB CCOc1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1 918218 ARQXEGZIPVGJGF-UHFFFAOYSA-N 416.359 4.659 0 40 HJAB Cc1cc(C)c2[nH]c(=O)c(CN(C3CCCCC3)S(=O)(=O)c3ccccc3)cc2c1 923150 WBXWDTGJNUHMEW-UHFFFAOYSA-N 424.566 4.669 0 40 HJAB Cc1sc2ncnc(SCC(=O)c3cc(C)n(C[C@@H]4CCCO4)c3C)c2c1C 952428 PRGTUXIRGQAURP-INIZCTEOSA-N 415.584 4.880 0 40 HJAB O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1Cc1cccnc1 953996 QSQILWJBPVSHHU-JOCHJYFZSA-N 418.547 4.770 0 40 HJAB COc1ccc(NC(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCC2)cc1 1353039 XHTFGAAOCJQPTO-UHFFFAOYSA-N 405.498 4.822 0 40 HJAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2cccc3ccccc23)C1=O 2642526 PATWZIBGOZUAEW-NRFANRHFSA-N 409.283 4.570 0 40 HJAB C[C@]12CC[C@@H]3c4ccc(OC(=O)CCN5CCCCC5)cc4CC[C@@H]3[C@@H]1CCC2=O 4028097 KBZHXUQCKRKJLU-KSZLKVKMSA-N 409.570 4.893 0 40 HJAB biogenic CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 4084092 YFQHKGUJGTVODY-YZLSMURDSA-N 418.574 4.708 0 40 HJAB biogenic COc1ccc(/C=C/C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1OC 4087591 OBEKXPVBRKIMQB-PKNBQFBNSA-N 421.522 4.597 0 40 HJAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc(F)c1 4109827 FVWFPWRWQOVUEN-UHFFFAOYSA-N 411.424 4.572 0 40 HJAB Cc1nc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2C(C)C)sc1C 4736144 SWKREIXJJIWDCG-ZDUSSCGKSA-N 419.551 4.858 0 40 HJAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCc3ccccc3Cl)c(C)c12 4744331 YSPBVHWCBXZDBY-UHFFFAOYSA-N 409.869 4.977 0 40 HJAB CCCC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@@H]1c1ccc(OC)cc1 4816869 GLJYUUNXRYBWRT-UXHICEINSA-N 410.905 4.808 0 40 HJAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)/C=C/c1cccc(C(F)(F)F)c1 4917200 RQUBVXHAKAIPFW-IWWVCJNBSA-N 400.444 4.862 0 40 HJAB COc1ccc(C(=O)c2cn(Cc3ccc(C)cc3)c3ccc(F)cc3c2=O)cc1 4937017 FISLNNHTHLCMLH-UHFFFAOYSA-N 401.437 4.737 0 40 HJAB COc1ccc(C2=C/C(=C3/N=C(c4cccs4)OC3=O)c3ccccc3O2)cc1 5354009 KXCGMHYDWMKGTH-FXBPSFAMSA-N 401.443 4.905 0 40 HJAB CC(=O)[C@@H](SC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N(C)C 5413840 KLRYICJDAASNKW-HSZRJFAPSA-N 403.547 4.758 0 40 HJAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 5867640 SFRFDFUDGNGCFS-GFCCVEGCSA-N 406.433 4.918 0 40 HJAB Cc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c(C)c1 6233551 AKDDELAEPCKHDB-HSZRJFAPSA-N 406.507 4.923 0 40 HJAB Cc1nnc(S/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)O)[nH]1 6588345 NHKYHONCQNDENT-YVLHZVERSA-N 401.875 4.563 0 40 HJAB CCN(C(=O)CSc1nnc(-c2ccc(N(CC)CC)cc2)o1)C1=CCCC1 6820749 SLPPFVAELBGHPG-UHFFFAOYSA-N 400.548 4.591 0 40 HJAB COc1ccc(Br)cc1CN(C)C(=O)c1cc2ccccc2cc1O 6993512 LVJMBVPNBKWICZ-UHFFFAOYSA-N 400.272 4.589 0 40 HJAB COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c2c(C)cc(C)nn12 8131351 ZSVKHDYQTSIMTK-UHFFFAOYSA-N 418.522 4.753 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)c1 8810360 LCUWEKAAGHTSFE-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB O=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccc(-c2ccccc2)cc1 10313187 YQFKZZZBBYYNAH-UHFFFAOYSA-N 424.504 4.623 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)c1 10314297 HFJAYPSVNQFJJR-UHFFFAOYSA-N 414.914 4.630 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)c(C)c1 10750706 RXDKDGZUKRXGDZ-HNNXBMFYSA-N 415.921 4.531 0 40 HJAB CCOc1c(Br)cc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1OC 11211690 HADCGAKQFCEWNK-SFHVURJKSA-N 404.304 4.738 0 40 HJAB C[C@H]1SC(=N)N(c2ncc(Cc3ccc(Cl)c(C(F)(F)F)c3)s2)C1=O 11689760 RNQTZHRMGYOLBO-SSDOTTSWSA-N 405.854 4.809 0 40 HJAB COc1ccc(CNc2ncc(-c3cc(C)no3)c(-c3ccc(C)o3)n2)cc1OC 12185987 JHWWGTVKDCTNSU-UHFFFAOYSA-N 406.442 4.638 0 40 HJAB COc1ccc(CN(C)CC[C@@]2(c3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)cc1OC 12296217 OJEZOEWJJBKOBO-LZCXECNNSA-N 410.602 4.824 0 40 HJAB C[C@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)N(C)c1ccccc1 12976498 SXOAXBZTNRJLBC-INIZCTEOSA-N 413.539 4.602 0 40 HJAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccc2ccccc2c1 13069831 PAFCNNYHQSQOQP-GOSISDBHSA-N 415.537 4.802 0 40 HJAB O=C(c1cccc(Br)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 14085802 XVPKGJQNXINWDC-QGZVFWFLSA-N 402.288 4.588 0 40 HJAB Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(C)c1 14426560 FXIVPCIBBCIBLO-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB O=C1Nc2ccc(F)cc2[C@]12Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 15320330 ZDKMMHCNQMTIRP-OFNKIYASSA-N 419.843 4.828 0 40 HJAB Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccco1 15976853 RRGSRVRGVGICSP-UHFFFAOYSA-N 402.372 4.789 0 40 HJAB COc1ccccc1-c1cc(C(=O)NCCCN(C)C)c2ccc(Cl)c(C)c2n1 17089074 YJGJDFPLPUORCO-UHFFFAOYSA-N 411.933 4.554 0 40 HJAB CCSc1nc2n(n1)[C@H](c1ccc(F)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 17316843 ALKMWNYNMHSHIL-LJQANCHMSA-N 423.517 4.765 0 40 HJAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 18258293 TZSDXMFLPZMOMW-IWENEADUSA-N 401.934 4.637 0 40 HJAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C)c3cc4ccccc4o3)ccc12 18536872 CLMCBZAJJDLMQM-OAHLLOKOSA-N 405.450 4.748 0 40 HJAB COCc1ccc(C(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cc1 19594415 OKGJLEDHSCENHT-MRXNPFEDSA-N 417.431 4.748 0 40 HJAB CC(C)C(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(C(F)(F)F)cc1 19694401 SAUKLMKJQQUFIR-GOSISDBHSA-N 420.479 4.938 0 40 HJAB Cc1ccnn1Cc1cc(C(=O)NCC(C)(C)c2cccc(F)c2)c2ccccc2n1 19716379 DCCNUQSYFRVLLV-UHFFFAOYSA-N 416.500 4.635 0 40 HJAB CCCC(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1 19764833 PAVCMYUELOKFHC-SFHVURJKSA-N 400.910 4.544 0 40 HJAB CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)cc1OCC 20048003 TVOIZTARULRSCU-KRWDZBQOSA-N 412.530 4.584 0 40 HJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(Cl)cc1 20151928 GYMKNATWVPWRRA-UHFFFAOYSA-N 400.887 4.528 0 40 HJAB COc1cccc(Nc2nc(Nc3ccc(OC)c(Cl)c3)c3cnn(C)c3n2)c1 21873421 LHHNIEOSDPDFIA-UHFFFAOYSA-N 410.865 4.521 0 40 HJAB CCOc1ccc(CCNC(=O)c2cccnc2NC2CCCCC2)cc1OCC 22072040 WCTFLORDXBYTDP-UHFFFAOYSA-N 411.546 4.596 0 40 HJAB CCOc1cc(CNCCN(CC)CC)cc(Cl)c1OCc1ccccc1F 22075709 BLOLWMCRGZBKIZ-UHFFFAOYSA-N 408.945 4.888 0 40 HJAB CC(C)C(=O)N1CCC(C(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)CC1 25508662 FHMLNSQVIYSGCY-QHCPKHFHSA-N 424.610 4.727 0 40 HJAB CCCCCCOc1ccccc1/C=c1\sc2nc(-c3ccc(C)cc3)nn2c1=O 26779425 SMWNYJNNTFHGLL-PGMHBOJBSA-N 419.550 4.633 0 40 HJAB CC(C)c1noc([C@@H](C)Sc2nnc(N3CCCC3)n2-c2ccccc2Cl)n1 27813077 WBIRJLAPYOCMMQ-CYBMUJFWSA-N 418.954 4.881 0 40 HJAB Cc1ccc2oc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)cc(=O)c2c1 28288646 FNMBDAOGANIHBL-HXUWFJFHSA-N 424.928 4.712 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1 30471882 BKVYDKQWIZOLHD-UHFFFAOYSA-N 406.438 4.899 0 40 HJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 30751979 AVFPSHWBPUAVMJ-HXUWFJFHSA-N 416.521 4.948 0 40 HJAB Cc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 30849181 JXJPNHOXBAQRQO-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB C[C@H]1CCCC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 38501128 XTDSKTSFUZMXHK-LAUBAEHRSA-N 407.489 4.899 0 40 HJAB O[C@H](c1ccccc1)C1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 40049886 QEMGPSJFYBVRPN-HXUWFJFHSA-N 417.431 4.701 0 40 HJAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cccc(CN2CCCC2=O)c1 40068307 DERUTQJVAAZHDO-UHFFFAOYSA-N 418.468 4.779 0 40 HJAB Cc1cc(CN2CCC(CNC(=O)Cc3ccc(SC(C)C)cc3)CC2)c(C)o1 43972797 WWIPSTWLBWWKLV-UHFFFAOYSA-N 414.615 4.968 0 40 HJAB O=C(c1ccc(Cl)s1)N1CCC(Oc2nc3c(F)cc(F)cc3s2)CC1 49435199 SPYZMBMTPYJVFL-UHFFFAOYSA-N 414.886 4.973 0 40 HJAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1cccc(F)c1 57322854 DRHVUOJEIXVYCD-OAHLLOKOSA-N 409.436 4.506 0 40 HJAB CC(=O)c1oc2ccccc2c1NC(=O)CN[C@@H](C)c1ccc(Br)cc1 57332373 UDBMGJWQRFGELD-LBPRGKRZSA-N 415.287 4.687 0 40 HJAB CCOC(=O)c1cc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)ccc1Cl 58159534 SCDOIEVXXXKBQJ-UHFFFAOYSA-N 418.280 4.667 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)c1 59475329 DFWLVLYBRSLZJX-UHFFFAOYSA-N 416.506 4.679 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Br)cc3F)o2)cc1 63888932 OKMVLMPITSIHDV-UHFFFAOYSA-N 419.250 4.823 0 40 HJAB O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(F)ccc1F 67292929 YHHUATHEMYIGCH-IAIVQWBNSA-N 418.827 4.506 0 40 HJAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)cc1Cl 67295568 MLNVYUOETSCBTI-LVWGJNHUSA-N 408.841 4.850 0 40 HJAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)cc1 68713048 VSMPXYBCFSNKOQ-DEOSSOPVSA-N 405.881 4.656 0 40 HJAB CCCc1cc(-c2nc(C)c(C(=O)Nc3cc(NC(C)=O)ccc3OC)s2)ccn1 71280635 URJSICXVZQRTBZ-UHFFFAOYSA-N 424.526 4.685 0 40 HJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)N2CCN(c3ccccc3C)CC2)cc1 72328672 OJWLBJMKTCHGKR-UHFFFAOYSA-N 418.541 4.526 0 40 HJAB Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)c3cccc(N(C)C)c3)C2)n1 72350699 IRINRZCTNYVAIZ-GOSISDBHSA-N 406.555 4.599 0 40 HJAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 72352549 UGMSADZRCSMSJC-SFHVURJKSA-N 416.550 4.536 0 40 HJAB COc1ccc(Cc2nc3ccccc3n2C[C@H](O)COc2ccc(Cl)cc2)cc1 82087049 DDXLPMMTMZJAOA-IBGZPJMESA-N 422.912 4.729 0 40 HJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 95482411 DYKJJJQDSDFICC-QGZVFWFLSA-N 417.918 4.586 0 40 HJAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccccc2F)C12CCCC2 96344491 AXOHEYCOBNFKRL-QFIPXVFZSA-N 408.517 4.794 0 40 HJAB CCS[C@H]1CCCC[C@H]1NCc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 97165585 QKNOMCCLQQHJQN-CJNGLKHVSA-N 413.490 4.501 0 40 HJAB Cc1ccc(F)c(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 98072978 WNVZNUSAFFDGEL-UHFFFAOYSA-N 412.202 4.716 0 40 HJAB C[C@H](NC(=S)NC(=O)c1cc(Br)ccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102203020 QYABROLKQQINBV-ZPFDUUQYSA-N 415.784 4.532 0 40 HJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)c4c(C)nn(C(C)=O)c4C[C@H]32)C1 105363826 LFSRWPRCKLPVBQ-TVKFVVNRSA-N 410.558 4.760 0 40 HJAB CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220708570 LCMDJPYNRPVINZ-LJQANCHMSA-N 422.978 4.955 0 40 HJAB Cc1cccc(N(CCCC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c1C 222632387 LCUONYCTHKOIQR-UHFFFAOYSA-N 402.560 4.612 0 40 HJAB CC(C)c1ccccc1OCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C 222672713 LMKOHXHXZLFIRB-IBGZPJMESA-N 410.558 4.521 0 40 HJAB CCCCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 223124930 BQMNRDJZFPZONL-UHFFFAOYSA-N 424.541 4.537 0 40 HJAB CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223424160 SQPGTUJAIROMAV-XMMPIXPASA-N 420.940 4.789 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 223621343 WRCGNTPLNVCYSR-FQEVSTJZSA-N 408.586 4.779 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 224316122 LAVTUTKQNLJNHA-INIZCTEOSA-N 421.368 4.725 0 40 HJAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCCNc1ccccc1 225033765 TXSSUWJKLILZJY-WOJBJXKFSA-N 408.596 4.926 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)n2)cc1 225090194 HWVVFFOLSWUVCI-GOSISDBHSA-N 407.514 4.903 0 40 HJAB COc1cccc(-c2ccc(C(=O)N[C@H](c3cccnc3)C3CCOCC3)cc2)c1 225619140 NTNREXIJFMVMAO-DEOSSOPVSA-N 402.494 4.655 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 225655956 GVABHRQYKATOHW-AUSIDOKSSA-N 412.549 4.789 0 40 HJAB C[C@@H](O)c1ccc(C2(CNC(=O)c3cc(Br)cs3)CCCC2)s1 225682784 JCVBBEOCIJMOFG-LLVKDONJSA-N 414.390 4.867 0 40 HJAB Cc1noc(=O)c(C)c1-c1ccc(Cl)c(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 245227692 TXBSBCNPDJIUMG-QEWYBTABSA-N 400.906 4.527 0 40 HJAB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CCN5CCCC5)CC[C@@]43C)[C@H]1CCC2=O 253502133 HKTXNASFTOEERZ-HUOQBECSSA-N 413.602 4.916 0 40 HJAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)o1 257307988 TUZUITQHPNXTTF-IBGZPJMESA-N 415.493 4.775 0 40 HJAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccc(Cl)cc3)sc2n1 408626138 ZGIGCXIIKOOXDK-UHFFFAOYSA-N 404.948 4.919 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 408628227 RCGHYODISFRDET-UHFFFAOYSA-N 400.507 4.919 0 40 HJAB C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCC[C@H](c2ccnc(N)n2)C1 584279663 YTPZIECAPIHXPB-STQMWFEESA-N 418.328 4.961 0 40 HJAB CCCc1cnc(Nc2cccc([C@H]3CN(C(=O)C4CCCCC4)CCO3)n2)s1 643550247 AVMVVLUBBAGKBH-LJQANCHMSA-N 414.575 4.714 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@H](O)c1ccc(-c2cccs2)o1 1775966968 YCGXZDNPOMRUFT-HNNXBMFYSA-N 405.903 4.669 0 40 HJAB CCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1ccc(F)cc1 710771 PEMLGTDKXJUEKK-UHFFFAOYSA-N 423.484 4.940 0 40 HJAB COc1ccc(/C=C(/NC(=O)c2cccc(C)c2)C(=O)Nc2ccccc2C)cc1 726764 JRPOSTPBCYNIDS-XQNSMLJCSA-N 400.478 4.722 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)c1 996613 UBLREESQIZGRQE-UHFFFAOYSA-N 412.445 4.934 0 40 HJAB aggregator COc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)c3cccs3)cc2c1 1366797 ZPNRCBNNIFNVTQ-UHFFFAOYSA-N 418.518 4.749 0 40 HJAB CCc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1 1379914 HMFVLNAWSSLYFH-QFIPXVFZSA-N 406.482 4.882 0 40 HJAB CN(C)CCCNc1nc(Cl)nc2nc(-c3ccccc3)c(-c3ccccc3)nc12 1614524 YHOAWPBBANNSRC-UHFFFAOYSA-N 418.932 4.771 0 40 HJAB CC(C)c1ccc(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)cc1 2442969 FSWFCIKXTAJJMG-UHFFFAOYSA-N 417.538 4.729 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Sc1cccc[n+]1[O-])c1ccccc1 3223207 ZQYYBMOWJLVUCC-SFHVURJKSA-N 404.413 4.811 0 40 HJAB CC(=O)c1cccc(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)c1 3276319 ADYDAIRPQMYUJD-UHFFFAOYSA-N 401.462 4.593 0 40 HJAB Cc1ccc(C(=O)Nc2cccc3ccccc23)cc1S(=O)(=O)N1CCCCC1 3549134 CCXQKUHRDWUWBA-UHFFFAOYSA-N 408.523 4.575 0 40 HJAB CCOc1ccc(OCCOC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1 4463818 QMTGTLKCHLJYPE-UHFFFAOYSA-N 411.454 4.505 0 40 HJAB C[C@@]12C(=O)N(c3cc(Cl)ccc3O)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 4525764 HICJMHYLYSWGQD-YQDNHFOKSA-N 415.876 4.832 0 40 HJAB C[C@@H](NC(=O)CCC(=O)NCCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 4681293 YKUUQAWZZFLRLF-SGGRRFJASA-N 416.993 4.500 0 40 HJAB CC(C)CCn1c(SCC(=O)Nc2ccccc2)nc2c(oc3ccccc32)c1=O 4852689 ABLCZRIHPZYUTG-UHFFFAOYSA-N 421.522 4.920 0 40 HJAB O=c1nc(SCc2ccc(Cl)c(Cl)c2)c2c(n1Cc1ccco1)CCC2 4940117 PRNRPNCJDLTLJH-UHFFFAOYSA-N 407.322 4.972 0 40 HJAB COc1cc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2cc1OC 5187352 MMUCITDLKQHYFF-UHFFFAOYSA-N 413.282 4.638 0 40 HJAB O=C(CCc1c[nH]c2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 5200034 PZNUWJOAPVWUDP-UHFFFAOYSA-N 417.431 4.595 0 40 HJAB C[C@H](C(=O)Nc1ccccc1Cl)n1cnc2sc(-c3ccccc3)cc2c1=O 5553346 WDURXACDWJHCOO-CYBMUJFWSA-N 409.898 4.978 0 40 HJAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2C)o1 6207901 OWELNRHAQNKGPQ-OAHLLOKOSA-N 409.577 4.989 0 40 HJAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N1c2ccccc2C[C@H]1C 6531991 XHPWRHFCTNCPAL-IAGOWNOFSA-N 418.566 4.662 0 40 HJAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 7057879 YRBBCSGPQZLURB-UHFFFAOYSA-N 421.950 4.937 0 40 HJAB Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1S(=O)(=O)Nc1ccccc1Cl 8050166 RAQLTPBTCFTGLD-OAHLLOKOSA-N 404.919 4.744 0 40 HJAB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1c(C)noc1C 8071351 XYTKVAZCGZLANP-UHFFFAOYSA-N 400.500 4.603 0 40 HJAB Cc1nc(Sc2nnc(CN3CCCC3)o2)c2c(-c3ccccc3)csc2n1 8201142 DLTREVKDKDIMPL-UHFFFAOYSA-N 409.540 4.797 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 8320005 RLACLIWKHUIESZ-IBGZPJMESA-N 400.906 4.949 0 40 HJAB COCCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nc2ccccc21 8394793 MYHVIGOIEJXMCB-UHFFFAOYSA-N 400.891 4.678 0 40 HJAB O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2ccc(Br)cc2)s1 8951750 PJSQZBICQWBMOJ-UHFFFAOYSA-N 420.307 4.686 0 40 HJAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc2c(c1)OC1(CCCCC1)O2 9585035 NRXSVKFEHXXFGB-UHFFFAOYSA-N 422.481 4.945 0 40 HJAB O=C(CSc1ccc2c(c1)OCCO2)N[C@@H](c1ccc(F)cc1)c1cccs1 9613807 VEVDKTROUICGBF-NRFANRHFSA-N 415.511 4.656 0 40 HJAB Cc1csc(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)n1 9865673 NGUFOZYJINNIMT-UHFFFAOYSA-N 418.565 4.610 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1nc(-c2ccccc2)cs1 10035184 QQUOBKBTEOHLKN-UHFFFAOYSA-N 417.943 4.664 0 40 HJAB COc1ccc(C(=O)N2c3ncnn3[C@@H](c3ccc(C)cc3)C[C@@H]2c2ccccc2)cc1 10060304 ZIFDXUHKYVVKFM-DNQXCXABSA-N 424.504 4.976 0 40 HJAB Cc1cccc(N2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)c1C 10273266 FZJMKGJMEKUPBK-UHFFFAOYSA-N 410.470 4.778 0 40 HJAB COc1cc(C)c(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1OC 11605353 ZWSXTXZATGGYFG-UHFFFAOYSA-N 401.466 4.912 0 40 HJAB CC(C)c1nc(O)cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)n1 12220505 RJPBNQVGIUUQKR-KRWDZBQOSA-N 406.511 4.562 0 40 HJAB O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2 12249806 WYMXTVHABRLACX-UHFFFAOYSA-N 418.396 4.866 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccc(OC(F)F)cc3)cc(C(=O)O)c12 12396193 ZKSBITPJFCRULS-UHFFFAOYSA-N 413.355 4.835 0 40 HJAB CCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccco1 12409244 MODUMKMQUYBQPN-UHFFFAOYSA-N 400.500 4.583 0 40 HJAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)cc1 12463064 XYVMFOBZCKPSDJ-FQEVSTJZSA-N 411.505 4.922 0 40 HJAB Clc1ccc(C2=Nn3c(Cc4ccc(Br)cc4)nnc3SC2)cc1 12563762 JZOKRMOGSNBPTA-UHFFFAOYSA-N 419.735 4.643 0 40 HJAB CN(C)[C@H](CNC(=O)c1ccc(SCc2cscn2)cc1)c1cccs1 12807335 KBGIVUAYWVHJSO-QGZVFWFLSA-N 403.598 4.530 0 40 HJAB Cc1ccc(-n2c(SCc3noc(C(C)(C)C)n3)nc3ccccc3c2=O)cc1 12907042 ZPTHNPLVLREXLU-UHFFFAOYSA-N 406.511 4.667 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c(C)c1 12909646 MNEOGQSKBZCKSR-UHFFFAOYSA-N 406.404 4.688 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2n[nH]c(/C=C/c3ccc(F)cc3)n2)c1C 12974296 SEOXLNLHVNBOFE-RNVIBTMRSA-N 412.490 4.625 0 40 HJAB O=C(COC(=O)/C=C/c1cccc2cccnc12)Nc1ccccc1SC(F)F 14855257 LIBKZYZSSUUXCE-ZHACJKMWSA-N 414.433 4.745 0 40 HJAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(Cl)c(Cl)c1 15880951 DXTXEAIRDNOGSS-UHFFFAOYSA-N 406.294 4.883 0 40 HJAB O=C(Cc1ccccc1)N[C@@H](c1ccccn1)C1CCN(CC2CCCCC2)CC1 19370404 HSEFSCRIWSTCTL-AREMUKBSSA-N 405.586 4.774 0 40 HJAB O=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CCN(Cc2cccc(F)c2)CC1 19370418 CCRMUKBLCNZFCN-SANMLTNESA-N 417.528 4.533 0 40 HJAB CCOc1cc2c(cc1CN[C@H](Cc1cccs1)c1nc(C)cs1)OCO2 19532515 HMWIOOVADBAQQY-MRXNPFEDSA-N 402.541 4.714 0 40 HJAB Cc1cc(Oc2ccc(N(C)C)cc2)cc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 19570304 DPQKEEZEKHNMTB-FQEVSTJZSA-N 416.525 4.663 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1 20152177 KICUUCDAIZIHOL-UHFFFAOYSA-N 414.914 4.836 0 40 HJAB COc1c(C)cccc1C(=O)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 20411022 KLUOFJUHYXLVHZ-UHFFFAOYSA-N 407.451 4.711 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1 23258599 AZZQKHUZTJQQGN-UHFFFAOYSA-N 407.832 4.739 0 40 HJAB Cc1cccc(Nc2nnc(SCc3ccccc3Cl)n(-n3cccc3)c2=O)c1 28536204 CWDCHDHDIBKDIG-UHFFFAOYSA-N 423.929 4.749 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4cnccc4o3)c2)c1 32072035 JJYJGNMFIAQGNG-UHFFFAOYSA-N 409.829 4.813 0 40 HJAB COc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)ccc1OC(F)F 36774028 IVYAZQHMEUTJBJ-UHFFFAOYSA-N 419.424 4.610 0 40 HJAB CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC(NC(=O)c2ccccc2)CC1 40103328 NFINRRMUSICRII-UHFFFAOYSA-N 413.949 4.891 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 44855362 DXYWFGYPDCIKGT-DENIHFKCSA-N 410.533 4.765 0 40 HJAB COc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)c1 46079087 JOUATNWRRKILNJ-UHFFFAOYSA-N 404.441 4.680 0 40 HJAB O=c1c(-c2ccc(Cl)cc2)coc2c3c(ccc12)OCN(Cc1ccncc1)C3 54313306 HIEFNPLPPAZXGC-UHFFFAOYSA-N 404.853 4.861 0 40 HJAB biogenic CCc1ccc2c(CN(C)Cc3ccc(OC(F)F)c(OC)c3)cc(=O)oc2c1 58131669 MLKQZDRVYJBDRU-UHFFFAOYSA-N 403.425 4.597 0 40 HJAB Cc1sc2nc(CN3CCC(C)CC3)nc(NCc3ccccc3CO)c2c1C 62580177 YSRFJJSTCRKGEU-UHFFFAOYSA-N 410.587 4.644 0 40 HJAB CCOc1ccc(-c2cc3c(=O)n(Cc4ccc(C)cc4C)ccn3n2)cc1Cl 64774979 HBLJCNHDGMKAAH-UHFFFAOYSA-N 407.901 4.880 0 40 HJAB COc1ccc(-n2c(SCc3ccc(F)c(F)c3)nc3ccccc3c2=O)cc1 67258870 YBEYQZPLUOTLIO-UHFFFAOYSA-N 410.445 4.965 0 40 HJAB COc1ccc(NC(=O)CN2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 72357659 NHUWVTYEMDRRID-XMMPIXPASA-N 419.500 4.596 0 40 HJAB CCOc1cc(CN[C@@H](C)c2ncc(C)o2)ccc1OCCOc1ccc(F)cc1 95468631 DMNJBEHCXPBJHN-KRWDZBQOSA-N 414.477 4.829 0 40 HJAB Cc1ccc2c(-c3cc4c(CNC[C@@H]5CCCO5)cnc(C)c4o3)cc(=O)oc2c1C 95478987 LNLTVTPVSKAZTJ-SFHVURJKSA-N 418.493 4.795 0 40 HJAB CN(Cc1ccc(C(F)(F)F)cc1)Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 95947834 SXKMCIVKKOOPNY-UHFFFAOYSA-N 424.423 4.580 0 40 HJAB O=C(C[C@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21)NCC1CC1 96053086 HSTPBLMEFNOWRZ-IBGZPJMESA-N 410.583 4.565 0 40 HJAB COc1ccc([C@H]2Nc3nonc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)c(OC)c1 102744674 RVKLIFYUEGXMPQ-SPLOXXLWSA-N 418.453 4.716 0 40 HJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCCc1ccc(Cl)cc1 219466385 OGOWHXVROQPKGG-UHFFFAOYSA-N 406.913 4.983 0 40 HJAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CC(c1ccccc1)c1ccccc1 222432205 GOIZOGOHFSCEAR-NRFANRHFSA-N 414.549 4.680 0 40 HJAB O=C(NCCOc1ccc2ccccc2c1)C1CCN(Cc2cccc(Cl)c2)CC1 223625595 IRIRLRCVYLVLBQ-UHFFFAOYSA-N 422.956 4.900 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1c1ccccc1 224179420 WVSHMQUMCHYDSS-XZOQPEGZSA-N 411.534 4.504 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 224438012 RGWITULVMIHYCQ-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 225169640 CFPQWJRWRONTON-CVEARBPZSA-N 421.368 4.868 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 225613595 XZDYORCLYYRJJL-GCJKJVERSA-N 414.977 4.913 0 40 HJAB COC1CCN(c2ccc(C(=O)Nc3ccc(Br)cc3C)cc2)CC1 239807990 KECLGAFHGIVTLU-UHFFFAOYSA-N 403.320 4.625 0 40 HJAB COC(=O)CC[C@H](C)[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[C@]12C 248207852 BWDRDVHYVJQWBO-FHRNNEKGSA-N 406.607 4.566 0 40 HJAB CN(C)C(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C2CCC2)CC1 257204177 ATJLEHKMHHCEPQ-UHFFFAOYSA-N 422.544 4.532 0 40 HJAB Cc1cc(Br)c(NC(=O)[C@H]2CCCN2C(=O)Oc2ccccc2)cc1C 408996886 BGSJKPHSXVMNDP-GOSISDBHSA-N 417.303 4.668 0 40 HJAB CC(C)c1ccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1 409118036 MSDWSKYVPVVZJQ-UHFFFAOYSA-N 422.550 4.882 0 40 HJAB O=C(c1cccc2ncccc12)N1CCC2(CC1)C[C@H](Oc1cccc(Cl)c1)CO2 585261721 BTOWGYSZQRTVPA-IBGZPJMESA-N 422.912 4.731 0 40 HJAB Cc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)CC3CCCCC3)CC2)n1 585262712 VWBOPFZHAGKESP-UHFFFAOYSA-N 413.591 4.970 0 40 HJAB C[C](NC[C@H](O)C[P@](=O)(O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1 1560406205 OQLRWQBNDWJDIO-INIZCTEOSA-N 407.298 4.695 0 40 HJAB Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)Cc1cncc2ccccc12 1622374640 JAUIXRSQLWTRIH-FQEVSTJZSA-N 410.949 4.955 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)cc1Cl 664098 LKLRPHICZALUHC-UHFFFAOYSA-N 415.950 4.689 0 40 HJAB CCc1ccc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1 726116 SSGPBGSLEHPUKZ-UHFFFAOYSA-N 417.416 4.686 0 40 HJAB CSc1nnc2c(n1)O[C@@H](c1cccc(Br)c1)Nc1ccccc1-2 816742 RVWWJVKAUYTYSB-HNNXBMFYSA-N 401.289 4.526 0 40 HJAB Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)c1 867596 NTTGJDUSUSZDIT-MRXNPFEDSA-N 404.495 4.955 0 40 HJAB CCOC(=O)c1ccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc23)cc1 2434036 VMDAIGPVMKEXHJ-UHFFFAOYSA-N 416.433 4.980 0 40 HJAB NC(=O)N[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cc1 3334301 BFNTVBXIWJFRQH-AWEZNQCLSA-N 420.218 4.750 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1c[nH]c2ccccc12 4138525 BQJKSAVCPUUGNG-UHFFFAOYSA-N 405.527 4.794 0 40 HJAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cc4ccccc4)cc3)c2C(N)=O)C1 4200608 IIJBQYOKIHLRAU-OAHLLOKOSA-N 404.535 4.815 0 40 HJAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)c1ccccc1 4284130 NSWOEIRLRKBQTK-UHFFFAOYSA-N 406.898 4.958 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 4544065 VUUGHFZXXFTFQA-XMMPIXPASA-N 402.881 4.912 0 40 HJAB CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc2oc3ccccc3c2c1 4625770 MIWZTLXVWVAEIK-HSZRJFAPSA-N 408.461 4.971 0 40 HJAB CCc1cc2cc(OC)c(OC)cc2nc1SCC(=O)N1c2ccccc2C[C@H]1C 4857758 RQKXHEOSERMVMG-OAHLLOKOSA-N 422.550 4.884 0 40 HJAB CCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)cc12 5516097 WEIGKCPBUXIPEQ-UHFFFAOYSA-N 407.875 4.681 0 40 HJAB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 5842273 ZVSSUTQJOSQBFJ-UHFFFAOYSA-N 410.326 4.715 0 40 HJAB O=C(CSc1nc(-c2cccc(Br)c2)n[nH]1)c1ccc(Cl)cc1 6223366 CXWDUWMCRUTIFI-UHFFFAOYSA-N 408.708 4.863 0 40 HJAB Cc1ccccc1N1C(=O)c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2C1=O 6231885 OINBTEOAEMGPAP-JOCHJYFZSA-N 410.473 4.603 0 40 HJAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)c1 6259201 YEPFPADRLBPKMN-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 6658432 YJLPANNJOBKUPQ-OAQYLSRUSA-N 416.864 4.895 0 40 HJAB CCN(CC(=O)Nc1cccc(-c2csc(C)n2)c1)Cc1ccc(OC)c(F)c1 6882264 WVCHQUNWFGUMIC-UHFFFAOYSA-N 413.518 4.727 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2Cn2nc(C)n(-c3ccccc3)c2=S)c1 7316704 FTDZLPIAVBIEEC-HXUWFJFHSA-N 410.543 4.524 0 40 HJAB CCn1c(S[C@H](c2ccccc2)c2ccc(Cl)cc2)nnc1N1CCOCC1 7723013 SPVNAFVGRDUPBK-LJQANCHMSA-N 414.962 4.670 0 40 HJAB c1ccc(Oc2ccc(Nc3nnc(SC[C@@H]4CCOCO4)s3)cc2)cc1 8089117 FPZKKXCUYWCGFB-KRWDZBQOSA-N 401.513 4.929 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@@H](NCc1ccccc1CN1CCCC1)c1ccccc1 8229967 XZLFABKHTFJXLB-VWLOTQADSA-N 417.528 4.891 0 40 HJAB O=C1CN(C(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc2N1 8687202 ZGANGFPPRDRHJO-UHFFFAOYSA-N 415.927 4.541 0 40 HJAB aggregator Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1 8810202 QLABZIPZOBYCRP-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)n1 9573341 HJYKBRIKCZGQLS-GOSISDBHSA-N 417.513 4.535 0 40 HJAB COc1ccccc1OCCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 11667395 ITHWFIZDIGFVSK-KRWDZBQOSA-N 419.481 4.598 0 40 HJAB Cc1ccc(-n2nnc(C(=O)OCc3nc(-c4ccccc4)oc3C)c2C)cc1C 12415839 JPJWRLPKANMTEU-UHFFFAOYSA-N 402.454 4.513 0 40 HJAB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(c2ccccc2Cl)CC1 12556440 QRNHDPNVGBYXBD-UHFFFAOYSA-N 401.894 4.565 0 40 HJAB Cc1cccc(-c2nnc(S)n2CCC(=O)NCc2ccc(Cl)cc2Cl)c1 12741038 DHLZTIQGQGSZOP-UHFFFAOYSA-N 421.353 4.556 0 40 HJAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc(OC(F)F)cc1 12931234 CFSVPBGISHHZEZ-OAQYLSRUSA-N 414.477 4.936 0 40 HJAB CCN(Cc1ccc(Br)s1)Cn1nc(-c2ccccc2)n(C)c1=S 12993328 UPKUHKFQUIPFSE-UHFFFAOYSA-N 423.405 4.922 0 40 HJAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631123 ZKBKLUGYAYOBMV-SFHVURJKSA-N 418.493 4.673 0 40 HJAB COc1cc(NC(=O)c2sc(-c3ccccc3F)nc2C)cc(OC)c1OC 13692427 CJABKKPDYSWBAM-UHFFFAOYSA-N 402.447 4.536 0 40 HJAB CCc1nn2c3c(nnc2c1-c1ccc(Cl)cc1)C(=O)C[C@@H](c1cccs1)C3 14607782 ZUIWDWILIALYEC-ZDUSSCGKSA-N 408.914 4.981 0 40 HJAB O=C(Nc1ccc(OC(=O)c2cc(=O)[nH]c3ccccc23)cc1)c1ccccc1Cl 14630424 HHHLKULEYZROSI-UHFFFAOYSA-N 418.836 4.653 0 40 HJAB CC[C@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(=O)Nc2cccc(C)c2)C1 17090014 CVWAYFIIMPPVSB-AWEZNQCLSA-N 414.527 4.627 0 40 HJAB COc1cccc([C@H]2CN(C(=O)C(C)(C)C)[C@@H]3CCN(Cc4cccc(F)c4)C[C@H]23)c1 19081629 BMNWTHLGPOJICU-WXFUMESZSA-N 424.560 4.697 0 40 HJAB C[C@@H](CN1CCC(O)(Cn2c(C(F)(F)F)cc3cccnc32)CC1)c1ccccc1 19456055 ZTZIVBISSBPRQI-KRWDZBQOSA-N 417.475 4.686 0 40 HJAB COc1ccc(CN2CCC([C@H](NC(=O)c3cccs3)c3ccccn3)CC2)cc1 19554979 QLCGPQOOOVIBTM-QHCPKHFHSA-N 421.566 4.535 0 40 HJAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N[C@@H]1CCCc2ccccc21 20485260 PTFLWNBGPAHBLT-HSZRJFAPSA-N 420.534 4.603 0 40 HJAB CN1CCc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c23)C1 20813562 IDYGCWRJGYZLCI-UHFFFAOYSA-N 419.575 4.727 0 40 HJAB Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2ccccc2F)n1 21524671 KIJLVLOWZNPBHL-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB COc1ccc(-n2c(C)nc3ccc(NC(=O)c4cccc(Cl)c4)cc3c2=O)cc1 22498714 OMNMNCLDOLFSFV-UHFFFAOYSA-N 419.868 4.608 0 40 HJAB Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)oc2c1C 28290356 XCCUGFPFXVKTGM-HXUWFJFHSA-N 424.928 4.630 0 40 HJAB Cn1ccnc1C(=O)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)cc1 31744551 ULRUUODGTHHZIB-UHFFFAOYSA-N 407.901 4.755 0 40 HJAB O=C(Nc1ccccn1)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 32841595 DOFZXMFEQNVJBA-UHFFFAOYSA-N 423.451 4.933 0 40 HJAB C/C=C/c1ccc(OCCn2c([C@H]3CCCN3C(C)=O)nc3ccccc32)c(OC)c1 33317700 CEBNVMVZRODAQX-YKNILIKBSA-N 419.525 4.840 0 40 HJAB CN(C)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 33696869 FHMXTZARZZAHMO-UHFFFAOYSA-N 402.317 4.891 0 40 HJAB COc1ccc(-n2nnnc2C2(Nc3ccc(C)cc3C)CCCCC2)cc1OC 35622796 PDGASWUVNDDEBP-UHFFFAOYSA-N 407.518 4.568 0 40 HJAB COc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)c2ccc(F)cc2)cc1 36247097 HKBOEJHYOGRPRR-UHFFFAOYSA-N 405.878 4.883 0 40 HJAB CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccc(OC)cc1OC 41078104 FYMXEQHSLIDWAX-UHFFFAOYSA-N 423.513 4.606 0 40 HJAB CCOC(=O)c1cc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)ccc1Cl 44939637 HOJQJHFTLIXOPK-UHFFFAOYSA-N 414.933 4.676 0 40 HJAB O=C(Nc1ccc(I)cc1)Nc1ccccc1C(F)(F)F 48816294 VQZFTFYXTXCAHN-UHFFFAOYSA-N 406.145 4.954 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)c(C)c1 51357412 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CCCCNC(=S)N(Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 4132585 LRZNLQWTBNLJTC-UHFFFAOYSA-N 407.583 4.822 0 40 HJAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCC[C@H](C)C5)C4=O)cc3)sc2c1 4649068 KZHWHWUVOWMIFU-JXFKEZNVSA-N 419.550 4.636 0 40 HJAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccccc3)c3cc(Cl)ccc32)cc1 4784325 NWRUGLRXAIEOPF-XMMPIXPASA-N 405.881 4.656 0 40 HJAB Cc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c(C)c1 5137590 KCGADRPCRBFEMD-UHFFFAOYSA-N 406.960 4.601 0 40 HJAB CCCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)C(C(=O)OC)=C1C 6428044 CVOHCZXIIFOHIX-JWGURIENSA-N 405.494 4.738 0 40 HJAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)Nc1ccccc1 6446602 DDESCPXTATYMOB-UHFFFAOYSA-N 421.913 4.714 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)COc3cc(C)ccc3Cl)n2)cc1 7406605 QVBZWNJXHKERRP-UHFFFAOYSA-N 415.902 4.748 0 40 HJAB CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)/C=C/c1sc2ccccc2c1Cl 7719888 ARCXTSBNQRAFJU-XEHSLEBBSA-N 417.918 4.916 0 40 HJAB CC(=O)c1ccc(OCCCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1 8072943 CJTSWOSSEHXYKP-UHFFFAOYSA-N 419.525 4.509 0 40 HJAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=S)NC(=O)C(C)(C)C 8367688 XPRFSAHHAFIYGN-UHFFFAOYSA-N 417.538 4.741 0 40 HJAB COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(C)c3)n2C(C)C)cc1 8388827 JTBCXSQQGVYMJB-MRXNPFEDSA-N 410.543 4.962 0 40 HJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc(Cl)c2c(c1)OCCCO2 9216902 QCNBZQOEZWFPPH-UHFFFAOYSA-N 401.846 4.795 0 40 HJAB COc1ccc2c(c1)c(C(=O)O[C@@H](C)C(=O)Nc1ccccc1F)c(C)n2C1CC1 9469004 RDBWQRYZDDAXOC-AWEZNQCLSA-N 410.445 4.616 0 40 HJAB COc1ccc(-c2cnc(SCCNC(=O)c3cccc(C(F)(F)F)c3)[nH]2)cc1 9713682 DAZNNBXBBIPEKL-UHFFFAOYSA-N 421.444 4.626 0 40 HJAB COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H](C(F)(F)F)C3)s2)cc1OC 10289805 UPLDWLKPFKWFCE-ZDUSSCGKSA-N 414.449 4.550 0 40 HJAB Cc1ccn2cc(C(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)nc2c1 10809121 XCKSDSRTOSXFQH-UHFFFAOYSA-N 416.428 4.961 0 40 HJAB Cc1nc2c(=O)n(CC(=O)c3ccc(Cl)c(Cl)c3)nc(-c3ccco3)c2s1 11027675 RTSCXEAYZCPOBP-UHFFFAOYSA-N 420.277 4.611 0 40 HJAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccccc1SC(F)F 11372003 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Cc1cccc(NC(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)c1C 96037676 RSSDJXYFZWXPPP-UHFFFAOYSA-N 415.541 4.824 0 40 HJAB COc1ccc2cc(C(=O)Nc3ccc4c(c3)N(C(=O)c3cccs3)CC4)[nH]c2c1 96098410 RQHHYKBURAWVAW-UHFFFAOYSA-N 417.490 4.693 0 40 HJAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NC[C@@H]5COc6ccccc6O5)(C4)C2)C3)cc1 102943118 IPRXEUPRFDMGBU-AXSYESELSA-N 417.549 4.789 0 40 HJAB CCN(CC)C(=O)CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 118935587 KOBHUXKPUKVIOK-HVCBDKPISA-N 401.591 4.772 0 40 HJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 224074115 NNFXDHLLQZJESA-QFIPXVFZSA-N 414.977 4.649 0 40 HJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225071116 JXAMZKPLRMXSSZ-INIZCTEOSA-N 421.368 4.522 0 40 HJAB COC(=O)CCc1cc(Cl)c(OCc2ccccc2F)c(Br)c1 226342259 IBFAPFFXSUHKJC-UHFFFAOYSA-N 401.659 4.926 0 40 HJAB Cc1cccnc1Nc1ccc([C@H]2CN(Cc3cccc4ncccc34)CCO2)nc1 257256717 KMODGUWFAXWQNU-XMMPIXPASA-N 411.509 4.650 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1NC(=O)c1ccc(C)cc1 408558324 QNQOGAVGADSTAK-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB COc1ccccc1CNC(=S)c1cccc(OC)c1OCc1ccc(F)cc1 408578845 ZRJZHJXZMLCDPL-UHFFFAOYSA-N 411.498 4.887 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)c1 409007416 PYUORCYMJBFMNM-UHFFFAOYSA-N 405.479 4.841 0 40 HJAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1C 409326366 AZHLIQNSIIBRMJ-SFHVURJKSA-N 414.962 4.888 0 40 HJAB O=C(c1nc2ccccc2s1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 575614857 LBSTWDZIBJMHRU-UHFFFAOYSA-N 408.449 4.597 0 40 HJAB CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]1Oc1ccccc1 1199187846 USVDDTJQZMZRBD-KSZLIROESA-N 412.383 4.591 0 40 HJAB C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2cc3c(s2)CCCCC3)C1=O 1544371957 TWXSNYORJAZVBG-DNVCBOLYSA-N 414.546 4.638 0 40 HJAB C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1cc2ccccc2c(O)n1 1648678716 HOFZNBVDEAZNDT-CZUORRHYSA-N 411.299 4.721 0 40 HJAB CSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Br)cc2)N1 950011 XFIYEOMWHRCMDZ-QGZVFWFLSA-N 416.344 4.725 0 40 HJAB CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1[C@@H](C(=O)OCC)CCC2 1016692 ACHDZAUUCQYXHW-AWEZNQCLSA-N 416.499 4.552 0 40 HJAB Cc1cc(-c2ccccc2)nc2oc3c(c12)NC(=O)CN(c1ccc(F)cc1)C3=O 1036578 NGXRPBRLGGEYMF-UHFFFAOYSA-N 401.397 4.541 0 40 HJAB CCCCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1 1865090 KNCUKXNUVYADEL-UHFFFAOYSA-N 403.504 4.741 0 40 HJAB CCNc1nc(NC(C)C)nc(SCCOc2ccc(Cl)cc2Cl)n1 2183428 RUGCRKRKJNNTJZ-UHFFFAOYSA-N 402.351 4.602 0 40 HJAB CCCCCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12 2210999 DOSQYUBQAHLEDH-UHFFFAOYSA-N 418.497 4.571 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1F 2237422 XYMHMQXDRFSBLS-UHFFFAOYSA-N 408.861 4.627 0 40 HJAB Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl 2651311 LJQDTUIUKBPSGG-UHFFFAOYSA-N 411.914 4.995 0 40 HJAB O=C(Nc1ccc(Br)c(Br)c1)c1cc2ccccc2oc1=O 2757203 NVAMBYJEGFVGSY-UHFFFAOYSA-N 423.060 4.570 0 40 HJAB CN(Cc1cccc(Cl)c1Cl)C(=O)CNC(=O)c1ccc2ccccc2c1 3420294 KOKFMQFAAABABH-UHFFFAOYSA-N 401.293 4.535 0 40 HJAB O=C(N/C(=C\c1cccnc1)c1nc2ccccc2[nH]1)c1cccc(Br)c1 4019538 GEKWYGVEXDUQMM-ODLFYWEKSA-N 419.282 4.649 0 40 HJAB CC(=O)O[C@@H]1C=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@@H]3CC[C@]4(OC(C)=O)C(C)=O)[C@@]2(C)CC1 4025110 JNZLFQBVNULBKB-YDHFMQRRSA-N 416.558 4.772 0 40 HJAB biogenic COc1ccc(NC(=O)Cc2c(C)c3c(cc(C)c4c(C)c(C)oc43)oc2=O)cc1 4089574 OFCWYHIBCADSFV-UHFFFAOYSA-N 405.450 4.963 0 40 HJAB biogenic COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cc(C)cc(C)c2)cc1 4518190 DIMMKJBTVMMSGY-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2cccnc21 4852820 XEFRIVLMMHSOQS-UHFFFAOYSA-N 404.520 4.890 0 40 HJAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 5358220 HVDNMMUOPSHQJX-HNNXBMFYSA-N 412.584 4.571 0 40 HJAB Cc1cccc(C)c1-n1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O 6081994 DVGOOOUNSAWXCF-UHFFFAOYSA-N 415.518 4.733 0 40 HJAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 6328655 HOMGEDWTWIPJEG-INIZCTEOSA-N 404.897 4.961 0 40 HJAB Cc1cccc(C)c1NC(=O)CCCSc1ncnc2c1cnn2-c1ccccc1 6589369 SUXBQJWGHNHYLR-UHFFFAOYSA-N 417.538 4.943 0 40 HJAB CC(=O)c1cccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c1 6623869 HLWYWRSGNNNHTN-UHFFFAOYSA-N 403.434 4.848 0 40 HJAB biogenic CCc1cccc(C)c1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 6766764 GCCBUKMJLNXVKK-UHFFFAOYSA-N 420.534 4.561 0 40 HJAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccco1 6779429 IREURKNOLLGDJA-KRWDZBQOSA-N 403.265 4.566 0 40 HJAB COc1ccccc1-c1nnc(S[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)n1C 7151477 XWIBXWGOGBCLDX-LBPRGKRZSA-N 411.462 4.533 0 40 HJAB CC(C)C(=O)Nc1cccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c1 8071994 QNYUBOSNQJNREG-UHFFFAOYSA-N 419.319 4.840 0 40 HJAB CCN(CC)C(=O)[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 8394042 SVWFLSWZUFFYTP-FQEVSTJZSA-N 417.538 4.517 0 40 HJAB CCN(CC)C(=O)[C@@H](Sc1nnc(NC2CCCCC2)s1)c1ccccc1 9054108 ZHYDFEAPGASPPE-KRWDZBQOSA-N 404.605 4.985 0 40 HJAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@H]1CCSc2ccc(F)cc21 9467284 NKVKZWYAFYMGKO-HNNXBMFYSA-N 424.526 4.652 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(NCc2ccco2)s1)c1cccc2ccccc12 9580407 AZZQVPJABVGAFL-CQSZACIVSA-N 424.551 4.866 0 40 HJAB Cc1sc(NC(=O)CSc2nnc(Cc3ccccc3)[nH]2)nc1-c1ccccc1 9614912 FIDNLSVOMVBQNN-UHFFFAOYSA-N 421.551 4.558 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 9753916 CZPJOSNYWKAEIN-HTAPYJJXSA-N 422.916 4.580 0 40 HJAB CCOc1ccc(OCC)c(-c2csc(NC(=O)c3n[nH]c4ccccc34)n2)c1 9803565 DXQSMPGYHMHROH-UHFFFAOYSA-N 408.483 4.736 0 40 HJAB NC(=O)c1ccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 11328105 LZCFWCCAPILYPJ-UHFFFAOYSA-N 411.461 4.679 0 40 HJAB Cc1cccc(-n2c(SCC(=O)N3CCCCCC3)nnc2-c2ccccc2)c1 12350043 PHBSVTWEANKQHT-UHFFFAOYSA-N 406.555 4.737 0 40 HJAB CC[C@@H](CNC(=O)[C@H](C)Sc1nnc(-c2ccc(C)cc2)n1C)c1ccccc1 12908024 UDXVNEPBGYLFEI-ROUUACIJSA-N 408.571 4.581 0 40 HJAB C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(F)cc1 13022679 WWOTZKKWCDQLOM-QGZVFWFLSA-N 404.485 4.709 0 40 HJAB Clc1ccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c(Cl)c1 13115512 MQSQLTGNCDECIW-UHFFFAOYSA-N 401.282 4.558 0 40 HJAB Cc1ccc(OCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 15833669 AGJUYLWHELYUIT-SFHVURJKSA-N 403.482 4.898 0 40 HJAB COc1cccc(Nc2nc(NCc3ccco3)nc3c2cnn3-c2ccccc2)c1 16960518 FHDVQLUFGATWJK-UHFFFAOYSA-N 412.453 4.773 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2nn(CC(C)C)c3nc4cc(C)ccc4cc23)cc1 17016791 CLJSXOUVACZGII-UHFFFAOYSA-N 408.527 4.658 0 40 HJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C)cc4C)cc3n2)cc1 17089931 MJJAJAWRQVKQJO-UHFFFAOYSA-N 414.509 4.926 0 40 HJAB CCOc1ccc(-c2cc3c(=O)n(Cc4cccc(C(F)(F)F)c4)ccn3n2)cc1 17314888 PMNPCCIDJXRCCM-UHFFFAOYSA-N 413.399 4.629 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20105785 WNBWXADTXFDKDH-UHFFFAOYSA-N 414.914 4.956 0 40 HJAB O=C(CSCc1ccc(F)cc1)Nc1ccccc1C(=O)NC1CCCCC1 20453533 SBQHRPGDNHZRSM-UHFFFAOYSA-N 400.519 4.760 0 40 HJAB O=C(CSc1nnc(Nc2ccccc2F)s1)N1CCC[C@@H]1c1cccs1 21844542 OMTQUIYBYJFYHN-CQSZACIVSA-N 420.560 4.938 0 40 HJAB COc1cccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)c1 22504505 KUYIGPRXSOWVSG-UHFFFAOYSA-N 407.495 4.994 0 40 HJAB COc1ccc(CCC(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)cc1 22766030 MVDXYMPMVXMZPU-XMMPIXPASA-N 420.578 4.605 0 40 HJAB COc1ccc(Nc2cc(C)nc3c(C)c(-c4ccc(OC)c(OC)c4)nn23)cc1 23118858 FMPHKMVMJBSUGO-UHFFFAOYSA-N 404.470 4.783 0 40 HJAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)N3CCCCC3)no2)cc1C 32623535 XAFTURFWBJKANO-HSZRJFAPSA-N 403.526 4.915 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3nc(C)cs3)n2-c2ccccc2)c1 32687069 UFZVJLRYKMHSBX-UHFFFAOYSA-N 421.551 4.738 0 40 HJAB O=C(Nc1cccc(OC2CCCC2)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 32769553 ONYSFMIYOBLOHM-BUHFOSPRSA-N 418.537 4.899 0 40 HJAB COc1ccc(NC(=O)CSc2nc3ccccc3n2CCC(C)C)c(OC)c1 32950393 UTDTVYKMKCDIJI-UHFFFAOYSA-N 413.543 4.830 0 40 HJAB COc1ccc([C@@H](C)NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1F 33160302 CBGQOHJXZAIZDG-CYBMUJFWSA-N 418.921 4.955 0 40 HJAB Cc1ccc2cc(CN(C(=O)Nc3ccccc3C)C3CCCC3)c3nnnn3c2c1 35289709 LPIYLNYMBPFJOS-UHFFFAOYSA-N 414.513 4.871 0 40 HJAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(F)c(Cl)c1 35684993 FHCAOPFNPGGHGK-MRXNPFEDSA-N 416.815 4.962 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)Cc1ccccc1Cl 40111971 PIJYCYHGSFUCMA-CYBMUJFWSA-N 415.946 4.993 0 40 HJAB CCOc1cc([C@H]2SCC(O)=Nc3c2c(C)nn3C)ccc1OC1CCCC1 49550548 QTFDLBIWFGNMRD-HXUWFJFHSA-N 401.532 4.873 0 40 HJAB CCCOc1c(Cl)cc(C(=O)NC[C@@H](c2ccco2)N(CC)CC)cc1OC 58054671 SCDVRZJECUXTRE-KRWDZBQOSA-N 408.926 4.543 0 40 HJAB CCCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C(C)C)cc2)CC1 58149042 YQIRERIZWLZYAB-UHFFFAOYSA-N 416.569 4.831 0 40 HJAB COc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)c1 67259259 PTXUKVIUXBWLIA-UHFFFAOYSA-N 406.482 4.885 0 40 HJAB O=C(CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2)NCC(F)(F)F 70009940 COGIZRPMNVANFI-UHFFFAOYSA-N 401.409 4.822 0 40 HJAB CC(C)CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nc2ccccc2c1=O 71185303 LPBODLQYSCRZDE-CQSZACIVSA-N 400.548 4.976 0 40 HJAB COc1cccc(CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)c1 71327566 LGONPYDNBOFLLZ-UHFFFAOYSA-N 412.511 4.946 0 40 HJAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 72345072 NGGBQUSDDVGCIX-GHTZIAJQSA-N 424.610 4.747 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCN2C(=O)c2cc(C(C)C)no2)n1 72390624 MSKYMRNIDMITRO-LJQANCHMSA-N 405.502 4.580 0 40 HJAB O=C(CC[S@@](=O)Cc1csc(Br)c1)Nc1ccc(Cl)cc1F 84343630 PVHDSZABWFUARC-QFIPXVFZSA-N 424.744 4.581 0 40 HJAB O=C(Nc1cccc2cnccc12)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 101813719 IBCDYXGCDUJRSB-OALUTQOASA-N 423.463 4.646 0 40 HJAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n([C@H]3C(=O)Nc4ccccc43)n2)cc1 103018994 BEMQYFVWORCCOB-XMMPIXPASA-N 411.461 4.776 0 40 HJAB COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1ccc(N3CCC(C)CC3)cc1)cn2C 141541147 JSIMQPBAVCWHBN-LJQANCHMSA-N 419.569 4.784 0 40 HJAB CCOC(=O)c1ccc(NC(=O)COc2ccc(CC)cc2Br)c(C)c1 218865545 GXPYYLGUVZSSAQ-UHFFFAOYSA-N 420.303 4.514 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 223183349 TWESGGMUDNIVGS-GOSISDBHSA-N 400.950 4.525 0 40 HJAB CCc1cc(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)ccc1OC 223375239 JXZWWSRBSKCSSG-INIZCTEOSA-N 405.560 4.738 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 223814151 GDRALQGPTQGTJP-SFHVURJKSA-N 412.961 4.667 0 40 HJAB Cc1ccc(CN(C(=O)CSc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224176295 DNRSYXSCPMNSSO-HXUWFJFHSA-N 412.599 4.585 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 224213079 UAXNOUKVZMRTBF-HSZRJFAPSA-N 424.585 4.615 0 40 HJAB Cc1ccccc1OCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 224329264 SWPSFCNXCVJDGS-UHFFFAOYSA-N 400.522 4.757 0 40 HJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)s1 224859163 HISSMYDEDKSZCN-ZWKOTPCHSA-N 401.944 4.988 0 40 HJAB O=C(CS(=O)(=O)Cc1cccc2ccccc12)Nc1ccc2c3c(cccc13)CC2 224953282 ZOBGHLDWOWPOIK-UHFFFAOYSA-N 415.514 4.645 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 225491450 VQEQSYFSXSQMCB-UWJYYQICSA-N 400.950 4.605 0 40 HJAB COc1ccc(CCCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1OC 225628440 PZCWYNBXLGOTQI-UHFFFAOYSA-N 414.571 4.944 0 40 HJAB COC(=O)c1cccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1C 225810500 XFVKFSJMIOVMSC-UHFFFAOYSA-N 400.519 4.719 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 257317983 VLZTVYAKMJPYMK-GOSISDBHSA-N 418.516 4.818 0 40 HJAB CC(C)Cn1cnc2c1C1(CCN(C(=O)c3ccsc3)CC1)Oc1ccccc1-2 306143973 YSFXKNPLDXXRAE-UHFFFAOYSA-N 407.539 4.792 0 40 HJAB NC(=O)/C=C\c1cc(Br)c(-c2ccc(Br)cc2Cl)o1 352066471 BJBWXXSHXYEWEX-RQOWECAXSA-N 405.473 4.624 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C(F)F)cc1 408542210 HUPDBDKLNAOTLH-UHFFFAOYSA-N 402.470 4.557 0 40 HJAB CC(C)CSc1nc2ccc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2s1 408750993 VDGGLGPGJMIWLZ-IYVPYFHTSA-N 402.541 4.506 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)c1 408923123 FMWYCJMSRUQLEF-UHFFFAOYSA-N 412.536 4.527 0 40 HJAB COc1cccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)c1 409006806 LWNWEWXVOXPVEZ-UHFFFAOYSA-N 421.478 4.541 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(COc2ccccc2Cl)o1 409010232 BMSOGSRQRVHWNO-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB CCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(C)c1-c1ccc(F)cc1 409205086 LEXOPBFJAARMLG-QOCHGBHMSA-N 419.319 4.959 0 40 HJAB C/C=C1/[C@@H]2C[C@H]3N1CC[C@]3(c1ccccc1NC(C)=O)c1c2cnn1-c1ccccc1 524730715 UECDSMAGMCKZHD-BTZUQNBRSA-N 410.521 4.596 0 40 HJAB biogenic O=C1NCCOc2ccccc2CCCCCC12CCN(Cc1cccc(F)c1)CC2 643558107 CFDUNHFKPALOME-UHFFFAOYSA-N 424.560 4.720 0 40 HJAB O=C(N[C@@H](Cc1nc(-c2cccc3ncccc23)no1)c1ccccc1)c1ccccc1 671157479 PXJOKIYLHSCPDH-QHCPKHFHSA-N 420.472 4.999 0 40 HJAB O=C(NOCCOc1ccccc1)c1cc(-c2ccc(F)cc2)nc2ccccc12 1648684817 GLZLVGSUWRZOOD-UHFFFAOYSA-N 402.425 4.781 0 40 HJAB c1cc(CC2CCN(Cc3ccc4nccnc4c3)CC2)nc(Nc2nccs2)c1 2037834732 ICNXZZJMORAAPI-UHFFFAOYSA-N 416.554 4.680 0 40 HJAB COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(OC)c(OC)c4)sc3n2)cc1 661588 OEFWIJZKAIUFBL-UHFFFAOYSA-N 420.490 4.802 0 40 HJAB Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1F 919463 OUGJFYLPPFVBNX-XJKSGUPXSA-N 408.355 4.836 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1cccc(C(F)(F)F)c1 1400333 CJBDMGPXFOWNHT-UHFFFAOYSA-N 423.387 4.930 0 40 HJAB CCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(N(C)C)cc4)nc3c2)c1 2052060 RFPKJVKDXWRUDY-UHFFFAOYSA-N 415.497 4.528 0 40 HJAB CN(Cc1ccnn1C)C(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1 2796243 QIBYBDXXQFIBNG-UHFFFAOYSA-N 404.297 4.578 0 40 HJAB Cc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1 2909097 YVGVKIWRSGJXJD-UHFFFAOYSA-N 422.531 4.836 0 40 HJAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c(C)c1 3170784 VZFZOINKHDTDQZ-UHFFFAOYSA-N 410.524 4.853 0 40 HJAB COP(=O)(OC)c1c(C)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1C 3233382 AHASEYAQDYPZNA-UHFFFAOYSA-N 417.151 4.926 0 40 HJAB COc1cc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)ccc1OCC(C)C 3999978 PTYSUWXYPSLCGS-FXXWNWNUSA-N 420.553 4.757 0 40 HJAB biogenic Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4ccccc4c2)C[S@](=O)C3)c(C)c1 4224984 PXYDZVBHIIPKRJ-SSEXGKCCSA-N 415.518 4.657 0 40 HJAB Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(N(C)C)cc3)nc12 4273225 AIGVIJUYCYFJEN-UHFFFAOYSA-N 402.523 4.913 0 40 HJAB COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCCCCCCC2 4614545 AEKWQQWHJISPRB-UHFFFAOYSA-N 409.548 4.948 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2C(=O)C(C)C)cc1 4816867 KDKUVYKUYLWYEQ-PMACEKPBSA-N 410.905 4.664 0 40 HJAB Cc1noc(C)c1CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1 6083055 VHWONPBNVLRIFN-INIZCTEOSA-N 404.923 4.675 0 40 HJAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1 6215445 WRVLZXRFKQXUGV-HXUWFJFHSA-N 400.478 4.775 0 40 HJAB Cc1ccc(F)cc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 6625547 SOPSOIAJVWBEJW-UHFFFAOYSA-N 418.515 4.798 0 40 HJAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 6629872 LJRCOHGJBCEFGS-UHFFFAOYSA-N 410.370 4.962 0 40 HJAB Cc1c(CC(=O)NCc2ccco2)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 6759466 PDCQVJRRJKYJLQ-UHFFFAOYSA-N 421.493 4.581 0 40 HJAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 7607201 WXXWORPXSCHHCB-WMZOPIPTSA-N 411.546 4.662 0 40 HJAB O=C([C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1ccccc1)N1CCCCC1 7617183 QCJVYJSGZUODNU-FQEVSTJZSA-N 419.554 4.521 0 40 HJAB Cc1c(NC(=O)COC(=O)/C=C/c2ccccc2)ccc(Br)c1Cl 7939909 NOUSOAFYJQYLOH-JXMROGBWSA-N 408.679 4.606 0 40 HJAB O=c1c2cc(Br)ccc2nc(SCc2ccccn2)n1-c1ccccc1 8747144 DTTYZLKBXPMLGN-UHFFFAOYSA-N 424.323 4.836 0 40 HJAB O=C1c2cccc3cccc(c23)C(=O)N1C[C@H](O)Cn1c2ccccc2c2ccccc21 8958963 OOSDWSLMVKIKNX-GOSISDBHSA-N 420.468 4.605 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCc1ccc(Cl)cc1 9632634 YQACVIJUPJILIP-UHFFFAOYSA-N 424.913 4.589 0 40 HJAB O=C(Cc1csc2nc(-c3ccccc3)cn12)NCc1ccccc1OC(F)F 10115112 VXXANBQCDNZMHL-UHFFFAOYSA-N 413.449 4.523 0 40 HJAB COc1ccccc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 10908290 WJFRHXKAPKBIMA-UHFFFAOYSA-N 401.441 4.617 0 40 HJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(-c2ccc3c(c2)OCCO3)on1 11915973 RTSLZLQSBPYFSH-UHFFFAOYSA-N 413.842 4.628 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 12793289 XSDXCTJKZQLRSC-UHFFFAOYSA-N 413.525 4.863 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@H](C)C(=O)c1cccc(Cl)c1 12815282 BAZFYGDLLKWJGD-CYBMUJFWSA-N 403.265 4.916 0 40 HJAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 13021748 MYCPIUJXDWXMFU-ZEQRLZLVSA-N 414.505 4.518 0 40 HJAB CN(C)c1ccc(C(F)(F)F)cc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 13042458 DPMWCTNPAFZGDQ-MDZDMXLPSA-N 404.841 4.837 0 40 HJAB Cc1cc(Br)cc(Br)c1OCC(=O)Nc1cccc(F)c1 13101398 WDPYRFRBXKTXSE-UHFFFAOYSA-N 417.072 4.677 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccc(Cn2cncn2)cc1 13688931 HHJTUIKKJXUQOO-UHFFFAOYSA-N 409.902 4.664 0 40 HJAB COc1ccc(-c2nc(CC(=O)Nc3ccc(OC(F)(F)F)cc3)cs2)cc1 13692497 RYNYVZYKDVQTRR-UHFFFAOYSA-N 408.401 4.899 0 40 HJAB O=C(Cn1cc(C(=O)COc2ccccc2)c2ccccc21)Nc1ccccc1F 14135906 AGIDMGVKPORXAD-UHFFFAOYSA-N 402.425 4.681 0 40 HJAB O=c1c2sccc2nc(SCc2nc(-c3ccccc3Cl)no2)n1C1CC1 16843582 GPBFKAGPBFQQHJ-UHFFFAOYSA-N 416.915 4.789 0 40 HJAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc(Cl)cc1 18832869 AJQPTLDFQVYLOM-UHFFFAOYSA-N 420.296 4.861 0 40 HJAB O=C(C1CC1)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19294064 XMUBUXRSAJQWGS-GOSISDBHSA-N 417.488 4.537 0 40 HJAB O=C(c1ccccc1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccs3)CC[C@H]21 19368940 KBGCYSPYFFSAJA-YPAWHYETSA-N 408.592 4.940 0 40 HJAB COc1cccc(CC(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c1 19564119 DTPFDFCKZWIARA-UHFFFAOYSA-N 417.431 4.539 0 40 HJAB Cc1onc(C(C)C)c1C(=O)N1CCO[C@@H](c2ccc(-c3ccccc3F)cn2)C1 19692476 PQTGGKMYRJXRJY-HXUWFJFHSA-N 409.461 4.521 0 40 HJAB CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 20062039 OZECNLWKRKZUEG-UHFFFAOYSA-N 420.962 4.719 0 40 HJAB O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)c1c(F)cccc1Cl 21681414 MQFPMDJXWPMOJE-UHFFFAOYSA-N 401.894 4.746 0 40 HJAB FC(F)(F)c1ccc(N2CCN(Cc3csc(-c4cccs4)n3)CC2)nc1 23883338 OWPZEMDHGCYWGF-UHFFFAOYSA-N 410.490 4.608 0 40 HJAB c1ccc(-c2cc3c(NCc4ccccc4CN4CCOCC4)ncnc3s2)cc1 23968796 UYUNTQZQEPYSLP-UHFFFAOYSA-N 416.550 4.803 0 40 HJAB C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1nc(N)nc(N(C)C)n1 24891513 ZBQOCVOGKONZDL-CQSZACIVSA-N 418.526 4.695 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(O)c(-c3nc4cnccc4o3)c2)cc1 32089120 YBEJTXRQQZLNJV-UHFFFAOYSA-N 417.465 4.910 0 40 HJAB O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N(Cc2ccccc2)c2ccccc2)C1 32491784 IQHVYHOTJHTCFW-QFIPXVFZSA-N 416.496 4.911 0 40 HJAB Cc1ccc(-c2noc(CCC(=O)N(Cc3ccco3)Cc3cccs3)n2)cc1 32777976 RWNKCGOSDKFCOB-UHFFFAOYSA-N 407.495 4.861 0 40 HJAB Cc1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c(C)c1 38833359 MYASNBTVIGGWQM-UHFFFAOYSA-N 401.348 4.917 0 40 HJAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc4c(c3)CCC(=O)N4)c12 40133522 UNWHNFBKNHYRPC-UHFFFAOYSA-N 417.513 4.509 0 40 HJAB CN([C@H](c1ccccc1)c1ccccn1)S(=O)(=O)c1cccc(C(F)(F)F)c1 40135508 RQVMSLFQSYUEOY-LJQANCHMSA-N 406.429 4.511 0 40 HJAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(OC(F)(F)F)cc2)ccc1O 40267546 XZVMHWLVEJOPHT-AWEZNQCLSA-N 419.359 4.609 0 40 HJAB O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1cc(Cl)ccn1 65781802 OVHKXDZJJWHIPA-UHFFFAOYSA-N 408.672 4.504 0 40 HJAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NCc1ccccc1CO 66049855 LPWUWLJZIMFDKT-UHFFFAOYSA-N 402.469 4.715 0 40 HJAB O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1ccc(F)c(Cl)c1 67293322 ISRBRIROOHACOM-DAFNUICNSA-N 409.804 4.811 0 40 HJAB Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 72345143 UFYAFHFZHSSJTK-HYBUGGRVSA-N 418.581 4.558 0 40 HJAB Cc1nc2cc(C(=O)N3CCC(c4cccc(Cc5ccccc5)n4)CC3)ccc2[nH]1 72356460 VXHYZEBWDCAFSX-UHFFFAOYSA-N 410.521 4.877 0 40 HJAB CCCN(Cc1nnc(-c2cccs2)o1)Cc1cc(=O)oc2cc3c(cc12)CCC3 97981902 LCQJGLIXCHRUPM-UHFFFAOYSA-N 421.522 4.805 0 40 HJAB Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c(C)c1 98072683 YDFNVLIKJKXASP-UHFFFAOYSA-N 412.486 4.804 0 40 HJAB C[C@H](NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)[C@H]1C[C@@H]2CC[C@@H]1C2 100562767 BDPXPHSMMKFMCJ-REWJHTLYSA-N 418.419 4.563 0 40 HJAB Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1=O 101028597 TXMYRMUHOJDGJQ-FKBYEOEOSA-N 418.880 4.700 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)Nc1ccccc1 214663480 AZFSGKIBNPQHQD-OVCLIPMQSA-N 407.278 4.668 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219617114 FEZTWFFPBLFKBO-KRWDZBQOSA-N 420.296 4.859 0 40 HJAB Cc1cccc(N([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)c1 220136846 DHRJBJYFAKMKKG-GOSISDBHSA-N 424.522 4.581 0 40 HJAB O=C(NCc1cccc2ccccc12)c1cccc(NS(=O)(=O)c2ccccc2)c1 222854815 NBWNOJBTBKNZRY-UHFFFAOYSA-N 416.502 4.571 0 40 HJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccc(OC)c(OC)c1 222936984 COAWJLXKFLSCIQ-OAQYLSRUSA-N 413.558 4.908 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 223520579 IIJSJNWMMSIGQO-JYBCESJWSA-N 418.493 4.553 0 40 HJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCC 224242793 WHNUPCDTTLBWEG-OAQYLSRUSA-N 400.950 4.606 0 40 HJAB COc1ccc(OCc2cc(C(=O)Nc3ccc(OC)c(OC)c3)ccc2OC)cc1 224267401 KVNGXKLEEPQBOZ-UHFFFAOYSA-N 423.465 4.552 0 40 HJAB CC[C@@H](NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1)c1ccccc1 224298921 NKLAXIAVFCGDBM-JOCHJYFZSA-N 422.550 4.701 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 224579916 FCTIPYRGSNLUHE-DEOSSOPVSA-N 424.585 4.570 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 224763769 MIIQISVWWZRGSW-QHCPKHFHSA-N 412.549 4.565 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1cccc3c1CCCC3)CC(C)(C)O2 224961066 FHUZNWRZEHQQTM-HRAATJIYSA-N 409.526 4.760 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 225215545 DLQRMSORDHUBQZ-JOCHJYFZSA-N 414.977 4.833 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 225543672 TXOKWPJOQZXWTO-ZJSXRUAMSA-N 424.585 4.713 0 40 HJAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(S(C)(=O)=O)cc1 225691355 YQRCDCMIZJGHLZ-UWJYYQICSA-N 417.571 4.557 0 40 HJAB O=C(O)CCN(CCc1ccccc1)C(=O)c1cccc(OCc2ccc(F)cc2)c1 257233920 GRJMEOXPEVJCRE-UHFFFAOYSA-N 421.468 4.564 0 40 HJAB O=C(N1CCC(Cc2ccc3ncccc3c2)CC1)C1(c2ccccc2)CCOCC1 257286226 PKUDOPXKPHAXCQ-UHFFFAOYSA-N 414.549 4.764 0 40 HJAB O=C(N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1)C1(c2ccccc2)CCOCC1 257302902 SEWWPVUEXFNMNN-HSZRJFAPSA-N 413.521 4.556 0 40 HJAB CCc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 409244462 DAAHKWOFYGRQGP-GZTJUZNOSA-N 400.887 4.577 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 409411981 OXKDTWNVUYODFF-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB CN([C@@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 531380529 FLBTYTUDGNXFFM-LJQANCHMSA-N 407.322 4.799 0 40 HJAB CC1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 1505840635 JJRLYNZFUZAFRV-GRXDXKALSA-N 416.924 4.971 0 40 HJAB Cc1ccc(Cl)cc1N1C(=O)N(CC2CCCC2)c2ccccc2S1(=O)=O 1889139443 HZQXFEUPFIXFSH-UHFFFAOYSA-N 404.919 4.974 0 40 HJAB O=C(Nc1cccc(Cl)c1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 793725 GMDXXJNIHRYAOB-UHFFFAOYSA-N 423.807 4.777 0 40 HJAB CN(C(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)C1CCCCC1 826522 RPISRDVDIYLMIQ-UHFFFAOYSA-N 402.420 4.820 0 40 HJAB CCN(CC)C(=O)Oc1c(Br)cc(Br)c2cccnc12 863598 DTMJOGLXAGIOAA-UHFFFAOYSA-N 402.086 4.600 0 40 HJAB Cc1cccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@H]2CCCO2)c1 884898 KXISCPSPTJMIEM-OAQYLSRUSA-N 421.566 4.523 0 40 HJAB O=S(=O)(c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cccs1 988411 CVRLYDUOPGOQDM-SFHVURJKSA-N 402.928 4.942 0 40 HJAB CC(C)Sc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4 1237062 FQRIDFBVSFYDBF-UHFFFAOYSA-N 424.595 4.728 0 40 HJAB Cc1ccc(-c2csc(N3CCN(C(=S)Nc4cccc(C)c4)CC3)n2)cc1 1349713 RHCBVFKKPZKQMT-UHFFFAOYSA-N 408.596 4.946 0 40 HJAB Cc1ccc(CNC(=O)c2c(N)n(C3CCCCC3)c3nc4ccccc4nc23)cc1 2258178 SBBNJBXKZZYQJV-UHFFFAOYSA-N 413.525 4.910 0 40 HJAB CCn1nc(NC(=O)c2ccccc2Br)c2cc3cc(C)ccc3nc21 2450235 FCUZTMTXLFGGSE-UHFFFAOYSA-N 409.287 4.928 0 40 HJAB Cc1ccc(Cl)c(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)c1Cl 2642123 LOVNUTFWCCAVIY-UHFFFAOYSA-N 418.276 4.914 0 40 HJAB Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(C=O)cc2)c2ccccc2)cc1Cl 3283445 ZYTKCPPYDSQBFJ-OAQYLSRUSA-N 407.853 4.998 0 40 HJAB CC(C)(C)NC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3284474 ZPYMETRQJYZMSM-UHFFFAOYSA-N 402.903 4.688 0 40 HJAB CC[C@@](C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)Cc1cccs1 3625967 IZEXJVNTAJPJDP-QFIPXVFZSA-N 418.628 4.999 0 40 HJAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(Cc1cccs1)C(=O)c1ccco1 4240754 IGZBZLINXGZSER-NRFANRHFSA-N 408.523 4.784 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(OC)cc2)cc1 4715972 LKCCESQZLITANT-ZCYQVOJMSA-N 416.477 4.955 0 40 HJAB COCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccc(C(C)C)cc1 4861256 BIDSYNFZQYKFDW-UHFFFAOYSA-N 421.541 4.949 0 40 HJAB O=C1Nc2ccc(Cl)cc2[C@@]12Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 5010022 TVKBVQFIFYBNEC-NFBKMPQASA-N 401.853 4.689 0 40 HJAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 6566857 XQPWUBWYPIZKAT-UHFFFAOYSA-N 418.884 4.642 0 40 HJAB CC[C@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 6954500 IDFZRXUJLLXLBD-AWEZNQCLSA-N 400.544 4.647 0 40 HJAB CCNc1nnc(SCC(=O)c2cc(C)n(CCc3cccs3)c2C)s1 7248028 QPIMINGYZKSFDR-UHFFFAOYSA-N 406.602 4.667 0 40 HJAB COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c(OC)c1 7398245 SCIOGANEKVLRJZ-UHFFFAOYSA-N 416.481 4.949 0 40 HJAB Cc1cccc(N2CCN(C(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)CC2)c1C 7504926 GUMGXPVTVSUTAQ-LJQANCHMSA-N 400.950 4.690 0 40 HJAB COc1ccc(-c2csc(NC(=O)Cc3ccc(Br)cc3)n2)cc1 7983355 NIQCQHDAFCHXPU-UHFFFAOYSA-N 403.301 4.762 0 40 HJAB CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccccc1-c1ccccc1 8037215 SFSJLLTUXZEWIT-UHFFFAOYSA-N 407.901 4.516 0 40 HJAB COc1ccc(NC(=O)c2ccc(NC(=O)CCC(=O)c3cccs3)cc2)cc1 8291155 AQKUESGVMMSDBO-UHFFFAOYSA-N 408.479 4.611 0 40 HJAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(NC(=O)c2cccs2)cc1 8328453 HYMCXIGQNKYFEM-UHFFFAOYSA-N 416.502 4.962 0 40 HJAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)c(C)c1 9052535 ULQRUXFKHDRYBG-GOSISDBHSA-N 420.534 4.696 0 40 HJAB CSc1nnc(CCCNC(=O)c2cc3c(F)cccc3s2)n1C1CCCC1 9112567 KOPNBPREOHRUNA-UHFFFAOYSA-N 418.563 4.832 0 40 HJAB CC(C)C1CCC(C(=O)N[C@@H](C(=O)Nc2ccc(Br)cc2)C(C)C)CC1 9195296 PNXTYFZANSFZLA-LADRWXRNSA-N 423.395 4.991 0 40 HJAB O=C1CSc2ccc(C(=O)Nc3nc(-c4ccco4)c(-c4ccco4)s3)cc2N1 9349145 CKLAFUUDPVQUNL-UHFFFAOYSA-N 423.475 4.960 0 40 HJAB CC(C)n1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cc2ccccc2o1 9595183 RVVNFHVCFDPAHR-UHFFFAOYSA-N 418.522 4.954 0 40 HJAB O=C(c1ccc(F)cc1)N1CCCC[C@@H](Sc2ccc(C(F)(F)F)cn2)C1=O 10348365 XCVGYKJKDOBOCW-OAHLLOKOSA-N 412.408 4.553 0 40 HJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1cccc(NC(=O)C2CC2)c1 11966543 MMHIRHPCOPJOSZ-UHFFFAOYSA-N 423.900 4.593 0 40 HJAB CC(C)c1ccc(-c2noc(CN3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2)cc1 12326008 ZTPJKFJBBDRJOH-HXUWFJFHSA-N 404.514 4.711 0 40 HJAB Cc1cc(C)c(NC(=O)CS[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)c(C)c1 12528462 GEMKOBJBGJCLEY-MRXNPFEDSA-N 422.558 4.556 0 40 HJAB CSCc1nc2ccccc2n1CC(=O)Nc1ccc(N2CCCCCC2)cc1 12550828 JHXGZJKQEFLHIF-UHFFFAOYSA-N 408.571 4.918 0 40 HJAB CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3CC)c2)cc1 12755474 APDNTIOYRXZQRQ-UHFFFAOYSA-N 424.522 4.701 0 40 HJAB O=C(CCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)Nc1ccccc1 12862890 AKSUBCJOZOFRQT-UHFFFAOYSA-N 409.898 4.807 0 40 HJAB CNC(=O)[C@@H](C)Sc1nnc(COc2ccc(Cl)cc2C)n1C1CCCCC1 12900358 NTGLBRIUDOJBHF-CQSZACIVSA-N 422.982 4.551 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)c(C)c1 14066079 HNOQIKRHSQVJEO-FQEVSTJZSA-N 417.553 4.513 0 40 HJAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)o1 14152366 LMVCFSGLMKEJMB-UHFFFAOYSA-N 423.416 4.885 0 40 HJAB O=c1[nH]c(CSc2nnc(-c3cccs3)n2C2CC2)nc2ccc(Cl)cc12 14197853 SFUQHGOPFPDVGI-UHFFFAOYSA-N 415.931 4.524 0 40 HJAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(Br)cc2Cl)no1 14775217 WOSYBEFCEDVWDJ-UHFFFAOYSA-N 422.666 4.625 0 40 HJAB O=C(Cn1nc(COc2ccccc2)n(Cc2ccccc2)c1=S)c1ccccc1 16768918 XOTWCRHPWYKWMP-UHFFFAOYSA-N 415.518 4.924 0 40 HJAB CC(C)c1nc([C@H](Cc2c[nH]c3ccccc23)NCc2cccc(F)c2)cc(=O)[nH]1 19453488 QNSQSCASLGURND-NRFANRHFSA-N 404.489 4.587 0 40 HJAB CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3C[C@H](C)C[C@@H](C)C3)c2c1 20380931 FASFXZWYPVOGDV-QZTJIDSGSA-N 424.566 4.949 0 40 HJAB O=C(NC1CCCCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 20503179 YTYAPVGYPPCNTA-UHFFFAOYSA-N 413.512 4.714 0 40 HJAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CC1 20970662 WSWSSOMIAAWARL-UHFFFAOYSA-N 401.510 4.541 0 40 HJAB COc1ccc(-c2nnc([C@@H](C)Sc3nc(C)c(C)n3C[C@@H]3CCCO3)o2)cc1 22131508 MIDKKYKMUJEHHT-QAPCUYQASA-N 414.531 4.591 0 40 HJAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1 22273965 KADVPDHVWNOJSF-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB COc1ccc([C@@H](CNCc2cc(=O)oc3c(C)c(C)ccc23)N2CCCCC2)cc1 22788453 RAOJKZNMLIVHPY-XMMPIXPASA-N 420.553 4.735 0 40 HJAB CCc1nc2sc([C@@H](c3ccccc3Cl)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 22853880 KMKCQFCXEQKKPF-IIYDPXPESA-N 404.967 4.780 0 40 HJAB COC(=O)c1ccoc1CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 24039479 AUGRNXTXIHLJHX-UHFFFAOYSA-N 409.442 4.745 0 40 HJAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 24191043 DKUYQJBRIPOIAG-UHFFFAOYSA-N 409.530 4.906 0 40 HJAB Oc1nc(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@@H]2c1ccccc1F 27825104 LZWGFHDBBNFLBM-NRFANRHFSA-O 417.489 4.541 0 40 HJAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc(Br)o1 28225300 JIGVZCQUZFVUPO-UHFFFAOYSA-N 408.683 4.809 0 40 HJAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 32864475 OUALUXSDZNVOGY-UHFFFAOYSA-N 413.355 4.591 0 40 HJAB COc1ccc([C@H](C)NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1F 32937161 LUFREZJKUZILCL-ZDUSSCGKSA-N 415.896 4.710 0 40 HJAB COc1ccc(CC(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)cc1OC 33012659 CTZDGCFDXPYRHF-UHFFFAOYSA-N 415.449 4.602 0 40 HJAB biogenic CC(C)(C)[C@@H](NC(=O)COc1ccc(Br)cc1F)c1cccs1 40089729 VKBDCTKPKGPZDB-INIZCTEOSA-N 400.313 4.932 0 40 HJAB CCOc1ccc([C@@H]2CC(=O)Nc3sc(C(=O)OCc4ccccc4)c(N)c32)cc1 40486367 ZFRYOSPIYCGGLZ-KRWDZBQOSA-N 422.506 4.560 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2ccsc2c1=O 57426383 WJAZSQCNPISUGW-UHFFFAOYSA-N 401.557 4.606 0 40 HJAB Cc1nc(N2CCN(Cc3ccccc3F)CC2)c2c3c(sc2n1)CCCCC3 58146609 OHXPTGRAZOXHJS-UHFFFAOYSA-N 410.562 4.730 0 40 HJAB CCc1ccc(-c2noc(CN3CCC(CN(C)Cc4ccccc4)CC3)n2)cc1 58296568 LSJJZQMSWFTRRR-UHFFFAOYSA-N 404.558 4.643 0 40 HJAB O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N1CCCSc2ccccc21 58357886 PFWQJALTPXILJC-UHFFFAOYSA-N 402.825 4.819 0 40 HJAB Cc1cc2ncn(C[C@@H](O)CSc3ncc(C(F)(F)F)cc3Cl)c2cc1C 89609022 QAUQJMXQVDGAEI-CYBMUJFWSA-N 415.868 4.874 0 40 HJAB Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)cc1 101010919 QBVBZOBHRWSSFE-HJOGWXRNSA-N 412.489 4.663 0 40 HJAB COc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3nc(C)nn32)cc1OC 102703390 NPVVZUYMCFCMLG-HXOBKFHXSA-N 416.481 4.669 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 223297910 GWMHFXUGHRVJBY-HSZRJFAPSA-N 408.586 4.958 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1Cc1ccco1 223366065 STVLSJMEYIJIKY-YADHBBJMSA-N 400.507 4.638 0 40 HJAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 223411173 JHFHATQHMFLSHN-VXKWHMMOSA-N 406.555 4.645 0 40 HJAB CC[C@@H](NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1)c1ccccc1C 224022624 LVHKILOCUORIFO-GOSISDBHSA-N 420.600 4.741 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1C 224231155 NVTXWJVHASIUOG-IBGZPJMESA-N 414.977 4.689 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 224407578 HQZLZVFYPRROCC-HSZRJFAPSA-N 410.533 4.543 0 40 HJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224664354 LYDKFIVSNIZGSV-GOSISDBHSA-N 412.961 4.749 0 40 HJAB CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224890865 XDYYTRCFUVJXFH-UHFFFAOYSA-N 410.495 4.653 0 40 HJAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C 225112942 SWKMWYGMGWSQRX-FQEVSTJZSA-N 421.368 4.868 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 225131978 KEWFVVJAQRYLSZ-IRXDYDNUSA-N 418.940 4.662 0 40 HJAB CCCOC1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OCC)c2)CCC(C)CC1 225856618 UEGQNRYYAKTDIP-UHFFFAOYSA-N 405.535 4.965 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(Br)ccc3OC)N21 260752979 AMINKMHMRLYVKD-BVGQSLNGSA-N 418.360 4.832 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4nccs4)c3C)N21 260759110 FALINYJHFWFHQM-MNEFBYGVSA-N 409.584 4.925 0 40 HJAB COc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 408919627 ZJBLQQCTSIBNTM-VIZOYTHASA-N 424.261 4.545 0 40 HJAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 409358240 KUKSBBHFXUITRJ-LICLKQGHSA-N 400.887 4.632 0 40 HJAB O=C(Nc1sc2c(c1C(=O)c1ccc(C(F)(F)F)cc1)CCC2)c1cncnc1 544848464 DJWXTCZTWZVSAN-UHFFFAOYSA-N 417.412 4.529 0 40 HJAB O=C(Nc1cccc(-c2nc(C3Cc4ccccc4C3)no2)c1)[C@@H]1Cc2ccccc2O1 547083285 VJRMXQXIUCJKND-QHCPKHFHSA-N 423.472 4.561 0 40 HJAB COc1ccccc1S(=O)(=O)Nc1ccccc1OCc1cccc(Cl)c1 605496979 HTNGLWPJFLNAAL-UHFFFAOYSA-N 403.887 4.728 0 40 HJAB COC(=O)c1cc(Nc2ncnc3sc(-c4ccccc4)cc23)cc(C(=O)OC)c1 710386 CWMHAUQCHQVILM-UHFFFAOYSA-N 419.462 4.675 0 40 HJAB CCc1ccc2[nH]c(=O)c(CN(C(=O)NCc3ccccc3)C3CCCC3)cc2c1 1327107 YDUAWNPYKJUMFJ-UHFFFAOYSA-N 403.526 4.745 0 40 HJAB O=C(Cc1ccccc1)Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1 1363076 KWXQPMZIONMERQ-UHFFFAOYSA-N 409.489 4.503 0 40 HJAB Cc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c1C 1379929 AZKWTMFUMOOERA-JOCHJYFZSA-N 406.482 4.936 0 40 HJAB CN(C)c1ccc([C@@H](O)[P@@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 2386618 SZIGYIMGUCOGKS-NGQVCNFZSA-N 424.481 4.630 0 40 HJAB CCCCn1nc(NC(=O)Cc2ccc(OC)cc2)c2cc3ccc(C)cc3nc21 2410526 FEJMULDBCITISP-UHFFFAOYSA-N 402.498 4.883 0 40 HJAB Brc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1 2446283 KBXRFAJWPNTBDH-UHFFFAOYSA-N 411.328 4.929 0 40 HJAB O=C(CCC(=O)c1ccc(F)cc1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 3344165 BZCDSTVSKBVBTE-UHFFFAOYSA-N 402.421 4.786 0 40 HJAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1Cl 3433578 UXJYYHBFTDVUHR-UHFFFAOYSA-N 408.951 4.548 0 40 HJAB C[C@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 4555045 WFHDXWIRBHHUKT-GYCJOSAFSA-N 405.881 4.593 0 40 HJAB CCOc1cc(CNC2CCCCC2)ccc1OCC(=O)Nc1ccccc1OC 4670906 PEXUYGFZHASTIM-UHFFFAOYSA-N 412.530 4.534 0 40 HJAB Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=O)c2cc3sccc3n2C)o1 4971268 FQQIMSZYYDSKQA-UHFFFAOYSA-N 408.479 4.713 0 40 HJAB CCCCC(=O)N(c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1)C1CCCC1 4982695 VCCAFVIDOBHCAQ-UHFFFAOYSA-N 419.547 4.697 0 40 HJAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3sccc3c2)cc1 5708007 ADLLDNISKXFOIR-UHFFFAOYSA-N 416.568 4.964 0 40 HJAB O=C(CSc1ccccc1C(=O)Nc1nccs1)NC1CCCCCCC1 6509585 UXAZAGBYOJUUFC-UHFFFAOYSA-N 403.573 4.717 0 40 HJAB CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 6540872 RMAIZIDQAIBPCV-UHFFFAOYSA-N 400.544 4.627 0 40 HJAB COCCNC(=O)CSc1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccc(C)cc1 6729214 ITPZOPZKAMCPNM-UHFFFAOYSA-N 415.946 4.560 0 40 HJAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1c2ccccc2C[C@@H]1C 8131682 LCIDZUAAPDLNCX-HOTGVXAUSA-N 404.539 4.603 0 40 HJAB O=C1Cc2cc(-c3csc(Cc4nc5ccccc5s4)n3)cc3c2N1CCC3 8297435 FZBNCZRLKJYSKA-UHFFFAOYSA-N 403.532 4.846 0 40 HJAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N[C@H]3CCCc4ccccc43)n2)cc1 8484232 SYYKEQGHHPERIS-QRWLVFNGSA-N 406.555 4.709 0 40 HJAB COc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)c1 9071731 IJJKRWXBQZUMJP-UHFFFAOYSA-N 413.477 4.771 0 40 HJAB CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3F)c3ccccn23)cc1 9317011 MEVDTSBNZFATEL-UHFFFAOYSA-N 417.440 4.543 0 40 HJAB O=C(NC(Nc1nc2c(s1)CCCC2)(C(F)(F)F)C(F)(F)F)c1ccccc1 9320581 XXOLRFYXAYRQCD-UHFFFAOYSA-N 423.382 4.685 0 40 HJAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(OCc2cscn2)cc1 9379531 TVANPALGEIVQSD-UHFFFAOYSA-N 421.566 4.985 0 40 HJAB Sc1nnc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)n1-c1cccc2ncccc12 9421635 KEOXFBAZHSKDBX-UHFFFAOYSA-N 404.886 4.815 0 40 HJAB O=c1[nH]c(SCc2ccc(Cl)cc2Cl)nc2c1cnn2-c1ccccc1 10612727 LIKDETXCIMKIRH-UHFFFAOYSA-N 403.294 4.708 0 40 HJAB Cc1oc(-c2ccccc2)nc1COC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 10801155 HHNWSKKOPUXIHS-IBGZPJMESA-N 419.481 4.637 0 40 HJAB Cc1ccccc1OCCCCn1c(CNC(=O)c2ccco2)nc2ccccc21 11667179 QTVDTKIVBUHZTD-UHFFFAOYSA-N 403.482 4.727 0 40 HJAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)c2ccncc2)n(C2CCCC2)c1C 12409313 CPFIKBBJIZMACJ-UHFFFAOYSA-N 423.538 4.700 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](c1ccccc1F)c1nccn1C 12549659 DBVPDFWZAJRLKU-KZULUSFZSA-N 422.287 4.539 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 12911737 VVJTUCXHSYGODI-FQEVSTJZSA-N 402.416 4.628 0 40 HJAB CC1CCN(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H]3CCCO3)c2=S)CC1 13072663 QSJPYOWCVYUQGU-GOSISDBHSA-N 406.983 4.603 0 40 HJAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[nH]1 14152384 PUWLROCKUYAEEM-UHFFFAOYSA-N 422.432 4.620 0 40 HJAB COc1ccc(-c2cc(CSc3nnc(N4CCCCC4)n3C3CC3)on2)cc1 14187089 ULSGVIZVWIDAAA-UHFFFAOYSA-N 411.531 4.559 0 40 HJAB O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)N(Cc2ccc(Cl)cc2)C1 15674142 YNFXKQBVTNMLSK-SJORKVTESA-N 423.822 4.717 0 40 HJAB biogenic,in-vitro CC1=CC(C)(C)N2C(=O)[C@@]3(S[C@H](C)C(=O)N3c3ccccc3)c3cc(C)cc1c32 17082955 OSFXYNKICFYGKY-GYCJOSAFSA-N 404.535 4.858 0 40 HJAB Cc1nn2c(nnc3c(=O)n(-c4ccc(Cl)cc4)ccc32)c1-c1ccc(Cl)cc1 19821516 VDTYLMSJHMHGKP-UHFFFAOYSA-N 422.275 4.711 0 40 HJAB CCOc1ccccc1CNC(=O)COc1ccc2ccccc2c1Br 20111096 IGTMKVHRDSWODS-UHFFFAOYSA-N 414.299 4.696 0 40 HJAB Cc1ccc2nc(NC(=O)C3CCN(c4ccc(-c5ccco5)nn4)CC3)sc2c1 22494789 LJEZHAZASFEGDO-UHFFFAOYSA-N 419.510 4.510 0 40 HJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC[C@@H]2c2cccs2)nc1 23936219 MDXYIXQKRQDMAW-LJQANCHMSA-N 413.568 4.700 0 40 HJAB C[C@@H](Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1nc(C(C)(C)C)no1 26984149 SKVLWLFBCIDSSO-LJQANCHMSA-N 419.573 4.862 0 40 HJAB O=C(Nc1cc2c(cc1Cl)OCCCO2)C1(c2ccc(Br)cc2)CC1 26987981 LZMODJIVWPUOQS-UHFFFAOYSA-N 422.706 4.934 0 40 HJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCCc1nc2ccccc2s1 32843513 RVPOFOAPHCZTFV-UHFFFAOYSA-N 424.957 4.866 0 40 HJAB Cc1cnc2c(S(=O)(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)cccc2c1 32902715 CWUZAROFWGOVQK-QGZVFWFLSA-N 423.563 4.721 0 40 HJAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cccc(OCc2cccs2)c1 32914456 BRBGBNAWMSOBNY-UHFFFAOYSA-N 414.914 4.691 0 40 HJAB CC1(C)CC(N(Cc2ccccn2)Cc2cccn2-c2ccncc2)CC(C)(C)N1 36740507 ZLOISVZIXVGMLE-UHFFFAOYSA-N 403.574 4.579 0 40 HJAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(Br)c(C)c3)CC2)c1 39752512 ZVTRSKCVLPLDTA-UHFFFAOYSA-N 401.348 4.917 0 40 HJAB O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 39762029 IGGUACOTQXQRSV-UHFFFAOYSA-N 414.490 4.639 0 40 HJAB Cc1ccc(N(Cc2ccco2)C(=O)CCc2nc(Cc3ccccc3)no2)cc1 40131086 OVLHBGOAUZPUHM-UHFFFAOYSA-N 401.466 4.728 0 40 HJAB Cc1noc(-c2csc(S(=O)(=O)Nc3ccc(Br)cc3)c2)c1C 44922223 WGZIPORLMJPJIZ-UHFFFAOYSA-N 413.318 4.583 0 40 HJAB Cc1nc(C(C)(C)C)nc2sc(C(=O)OCc3nnc(C(C)(C)C)o3)c(C)c12 47706872 TXQWMBKZTRBQTH-UHFFFAOYSA-N 402.520 4.643 0 40 HJAB O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCCSc2ccccc21 48375034 HDHCUDFPHKJSAP-UHFFFAOYSA-N 423.559 4.803 0 40 HJAB COC(=O)/C=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 62715915 KSKVLWIFNRQUDP-BQYQJAHWSA-N 411.679 4.876 0 40 HJAB CC[C@H](C)n1c(SCC(=O)Nc2ccc(C)cc2C)nc2ccsc2c1=O 67335110 ADKJIOWSDSTCAH-AWEZNQCLSA-N 401.557 4.777 0 40 HJAB Cc1ccccc1-c1cc(C[C@]2(C(=O)O)CCCN(C(=O)CCC3CCCC3)C2)on1 72395057 FZVYAUQDLBNKGU-RUZDIDTESA-N 424.541 4.856 0 40 HJAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccsc3)ccc21 96103559 WRANWAMEQMHUOC-UHFFFAOYSA-N 400.544 4.727 0 40 HJAB Cc1c(-c2nnc3sc(-c4cncc(Br)c4)nn23)oc2ccccc12 96194413 VQLRAKXHIBVHFP-UHFFFAOYSA-N 412.272 4.732 0 40 HJAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3[C@@H](O)C(=O)[C@@]21C 118924639 JUIAJKQHOKYMHP-KJWRSVDRSA-N 404.591 4.775 0 40 HJAB C[C@H]1CC[C@H]2[C@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43CO)N2C1 118936397 NMFWDNZLNHRNAT-CAKNJAFZSA-N 413.646 4.627 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222596642 BYFVZKUPBDACHZ-GCJKJVERSA-N 414.977 4.647 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 222968806 CKDGEPGOLCAQKL-FQEVSTJZSA-N 418.990 4.684 0 40 HJAB O=S(=O)(Cc1c(Cl)cccc1Cl)NCCOc1ccc2ccccc2c1 223612564 IPHZXWVGMDLGQO-UHFFFAOYSA-N 410.322 4.645 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 223957009 QOVJDUBCKWCXPK-INIZCTEOSA-N 421.368 4.706 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 225542869 PKQATZMMDNTJFN-QPPBQGQZSA-N 408.586 4.958 0 40 HJAB CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 225582301 GTCQKMWOSJTFGI-UHFFFAOYSA-N 418.896 4.507 0 40 HJAB O=C(O)c1ccc(CN(Cc2ccco2)C(=O)c2ccc3sc(Cl)nc3c2)o1 225980541 MSYNJFKBIJWRMA-UHFFFAOYSA-N 416.842 4.677 0 40 HJAB CCCc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)n(C)n1 257218981 DFCKRGLKHXCFBT-IBGZPJMESA-N 412.921 4.582 0 40 HJAB Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H](Nc2cccc(F)c2)[C@H]1CC(C)C 257242450 ICNUEYBTOWMSHA-FYYLOGMGSA-N 422.548 4.842 0 40 HJAB CCCCc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)[nH]n1 257275589 NPYYCLJGFCYEMX-HXUWFJFHSA-N 412.921 4.962 0 40 HJAB NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)CC2CCCCC2)CC1 257343042 ZRFSBZGYSKVBSY-QAQDUYKDSA-N 413.587 4.756 0 40 HJAB Cc1cccc(NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c1 408736283 AFGZWGGQYFQALR-DEOSSOPVSA-N 400.522 4.906 0 40 HJAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OC 409223494 ZSEVRIPMCJNSJL-XWAFYUISSA-N 414.889 4.619 0 40 HJAB CCN(CC)CC(=O)N1CCCCCCCN(C(=O)CC(C)C)c2ccccc2C1 643553472 WLPQWZCPWLEUCO-UHFFFAOYSA-N 415.622 4.700 0 40 HJAB CCCCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c3c(c12)O[C@H](C(C)(C)O)C3 2332242416 PPKVUTQGUUIOPB-KRWDZBQOSA-N 416.514 4.535 0 40 HJAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(CC)cc1 684485 NRYLSFQXHQMFQV-NRFANRHFSA-N 406.511 4.657 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 804724 WUZZBDQXKXDKNU-UHFFFAOYSA-N 422.959 4.838 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 997516 SMZANKXOBWVYPL-UHFFFAOYSA-N 400.507 4.974 0 40 HJAB O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1ccccc1C(F)(F)F 1236706 FSUUTJXYIOTEIU-VBKFSLOCSA-N 420.412 4.771 0 40 HJAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nc(Cc3cccs3)nc3ccccc23)C1 1342839 SGORSFNEAJAJHL-HOTGVXAUSA-N 411.596 4.879 0 40 HJAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccccc3F)cc2c1 1353111 CSAMUJXTBMXKPZ-UHFFFAOYSA-N 405.429 4.803 0 40 HJAB COC(=O)c1ccc(Oc2coc3cc(OCc4ccccc4)ccc3c2=O)cc1 1447907 XXIDDGDMDLVETN-UHFFFAOYSA-N 402.402 4.951 0 40 HJAB biogenic CC(C)C[C@H](C(=O)Oc1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 1807863 HMYVXVFXFIAZCB-HSZRJFAPSA-N 413.473 4.970 0 40 HJAB CC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(OCc2ccccc2)cc1 2222674 NURNGRBKIZFTRI-QVKFZJNVSA-N 423.538 4.913 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(c1nc(C)c(C)s1)C3=O 2409082 VDWDQLMLJCTYQB-LJQANCHMSA-N 402.475 4.925 0 40 HJAB COc1ccc(-c2c[n+](-c3ccc(OC(F)F)cc3)c3n2CCCCC3)c(F)c1 2684577 AHXNNAYYICOFMH-UHFFFAOYSA-N 403.424 4.907 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)o1)Nc1nc(-c2ccccc2)cs1 2720324 MGLVUVAONWLVIM-UHFFFAOYSA-N 412.471 4.730 0 40 HJAB O=C(COC(=O)c1cc(Cl)nc2ccccc12)c1ccc(Br)cc1 2775952 ZWAOZQCQGSXQHJ-UHFFFAOYSA-N 404.647 4.690 0 40 HJAB CSc1nnc2c(n1)O[C@H](c1cccc(Br)c1)Nc1ccccc1-2 3207853 RVWWJVKAUYTYSB-OAHLLOKOSA-N 401.289 4.526 0 40 HJAB CCCCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCc1cccc(C)c1 4087432 LUJKEEXKPNWARE-UHFFFAOYSA-N 424.570 4.618 0 40 HJAB Cn1c2ccccc2c2ccc(/C=C/[C@@]34NC(=O)CN3c3ccccc3C4(C)C)cc21 5645082 WEIUGSZJYQLCEM-BTUVCSFDSA-N 407.517 4.969 0 40 HJAB COc1cccc(-c2nc(CSc3nnc(NC(C)C)s3)cs2)c1OC 6784459 VRTDSHWHVIYFCX-UHFFFAOYSA-N 408.574 4.791 0 40 HJAB COc1ccccc1-c1noc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)n1 7155881 VDHJJOYYEJLSFR-UHFFFAOYSA-N 404.397 4.694 0 40 HJAB COc1ccccc1[C@H](CNC(=O)c1oc2c(ccc3ccccc32)c1C)N(C)C 7966231 XEJGRBBGHGUZDB-NRFANRHFSA-N 402.494 4.936 0 40 HJAB CN(C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)[C@H]1CCCc2ccccc21 8165337 KDVLLRGJPUJFKB-NRFANRHFSA-N 418.566 4.773 0 40 HJAB CSCc1nc2ccccc2n1CC(=O)Nc1ccc(Br)c(C)c1 8281416 IVKLXHRTPPJBGG-UHFFFAOYSA-N 404.333 4.609 0 40 HJAB COc1ccc(CNC(=O)[C@H](C)Sc2nccn2-c2cccc(Cl)c2C)cc1 8746451 JBBDISGVPBMLFI-HNNXBMFYSA-N 415.946 4.640 0 40 HJAB Cc1cc(C)nc(SCc2nc3cc(NC(=O)c4cccs4)ccc3n2C)n1 8992738 QNSRIIOIAJMWIN-UHFFFAOYSA-N 409.540 4.586 0 40 HJAB Cc1oc2cc(OCC(=O)NCc3ccco3)ccc2c(=O)c1-c1ccc(Cl)cc1 9050062 MGJNBWDWTPFCIF-UHFFFAOYSA-N 423.852 4.710 0 40 HJAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(Br)cc1F 9510367 WBCGEKNIBJQEBQ-UHFFFAOYSA-N 414.687 4.849 0 40 HJAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4cccc(Cl)c4)ncnc32)c(C)c1 9517767 NTFPYXIOGYSGOS-UHFFFAOYSA-N 423.929 4.817 0 40 HJAB O=C(/C=C/c1ccccc1Br)Nc1cccc(NC(=O)c2ccco2)c1 11181758 MQOHTBVTQUZNOD-ZHACJKMWSA-N 411.255 4.946 0 40 HJAB Cc1ccc(OCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1C 11667255 LWICLUCCVHHMBJ-GOSISDBHSA-N 403.482 4.816 0 40 HJAB O=C1Nc2ccccc2[C@]12Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 12124608 QBOVYOUGOKOQIY-REWPJTCUSA-N 401.853 4.689 0 40 HJAB CC[C@H](NC(=O)Cn1c(-c2cccs2)cc2cccnc21)c1c(C)nn(CC)c1C 12148130 MURKDOUZJWYEHG-SFHVURJKSA-N 421.570 4.866 0 40 HJAB C[C@H](CCN1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1)c1ccccc1 12220677 PXQNRAMLPFHLJR-OAHLLOKOSA-N 403.452 4.516 0 40 HJAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2n1C(F)F 12535202 YUAVHOHRLHKGAL-UHFFFAOYSA-N 401.891 4.897 0 40 HJAB C[C@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1cccnc1 12543559 HDFISTOMIHJUGT-KRWDZBQOSA-N 423.476 4.626 0 40 HJAB CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1N1CCCCC1 12635502 SWBUYOFLLPLGHJ-UHFFFAOYSA-N 405.464 4.766 0 40 HJAB COc1ccc(CNC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1 12748183 PQMPMKJZGLEYHH-UHFFFAOYSA-N 402.903 4.623 0 40 HJAB CCOc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)cc(Br)c1OC 13137551 QWAOIADENKNYGU-YBEGLDIGSA-N 416.271 4.509 0 40 HJAB CCOc1ccc2[nH]c3c(N4CCN(c5cccc(C)c5)[C@@H](C)C4)ncnc3c2c1 13777431 HAEJTQLJUOXHLG-KRWDZBQOSA-N 401.514 4.533 0 40 HJAB O=C(/C=C/c1ccccc1)NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1 17089583 GRPHVOGCLSBRAG-NTCAYCPXSA-N 413.502 4.699 0 40 HJAB Cc1cc(NC(=S)NC(=O)c2cccc(F)c2)cc(-c2nc3ccccc3o2)c1O 17092656 NGWHRFTYORHUHJ-UHFFFAOYSA-N 421.453 4.775 0 40 HJAB Cc1cc(Br)c(C)c2sc(NC(=O)C(C)(C)Br)nc12 20133131 SXBDGRBLOHUFEN-UHFFFAOYSA-N 406.143 4.788 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(OCC(=O)O)c2)cc1 20158253 MQKJASJSGQCQJS-UHFFFAOYSA-N 418.474 4.987 0 40 HJAB O=C(OCCOc1ccc(F)cc1)c1cn(-c2cccc(F)c2)c(=O)c2ccccc12 21360045 MRQHICWWFLDILY-UHFFFAOYSA-N 421.399 4.505 0 40 HJAB CCN(CC)CCNCc1cc(Br)ccc1OCc1ccccc1F 22075580 RDBCEWKSCQWTRN-UHFFFAOYSA-N 409.343 4.599 0 40 HJAB CC(C)c1ccc(-c2nc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)cs2)cc1 24865872 PHGJSMSSNUWHNG-ZDUSSCGKSA-N 407.495 4.905 0 40 HJAB CCOC(=O)Cc1csc(Sc2ncnc3sc4c(c23)CCCCC4)n1 26757559 PTRPNAHDFCMMPH-UHFFFAOYSA-N 405.570 4.674 0 40 HJAB O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2cccc3cccnc23)cc1 26927075 WCOMOSNRVKLEKQ-UHFFFAOYSA-N 411.505 4.922 0 40 HJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(F)c(Cl)c1 28942537 NLYQRISRIDOKHA-UHFFFAOYSA-N 421.774 4.541 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccc(C(F)(F)F)c1 32611771 OYLCOXYKNYBMDV-UHFFFAOYSA-N 424.423 4.854 0 40 HJAB Cc1cc(C)c(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c(C)c1 33272036 YNROJMTUFXQKSI-UHFFFAOYSA-N 420.534 4.978 0 40 HJAB O=C(Oc1c(Cl)cc(Cl)cc1Cl)C1CCN(c2ccc(Cl)nn2)CC1 48262634 QOUZIJSSHQUYHA-UHFFFAOYSA-N 421.111 4.912 0 40 HJAB Cc1nc(-c2cccc(NC(=O)C(=O)c3c(C)nn(-c4ccccc4)c3C)c2)oc1C 54234209 SBLFDQCQEPZNIS-UHFFFAOYSA-N 414.465 4.582 0 40 HJAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(CCCOC(C)C)C3 57142624 MXADHWGYPUCFEB-UHFFFAOYSA-N 407.510 4.659 0 40 HJAB Cc1cccc(N(C)C(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c1 57428378 IZMAEVAKEWIMMQ-UHFFFAOYSA-N 421.547 4.511 0 40 HJAB Cc1c(C(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)sc2cccc(F)c12 58245068 PCQWACRFTSEIRP-QGZVFWFLSA-N 410.474 4.921 0 40 HJAB Cn1nc2c(c1NC(=O)c1cccc(Oc3cccc(C(F)(F)F)c3)c1)CCC2 58416457 DPCBFKPVZPQPDF-UHFFFAOYSA-N 401.388 4.972 0 40 HJAB CCn1cnnc1C1CCN(C(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC1 72097607 VTRXJSQGHGQAAL-QGZVFWFLSA-N 400.592 4.530 0 40 HJAB Cc1cccc(Nc2ccc([C@@H]3CCCN(C(=O)c4c(C(C)C)noc4C)C3)nc2)n1 72353372 LYKXJPDTLPIVIC-GOSISDBHSA-N 419.529 4.968 0 40 HJAB Cn1ncc(CNc2nc(-c3ccccc3)nc3scc(-c4ccccc4)c23)c1N 89741036 AIALMKRZAFHWNW-UHFFFAOYSA-N 412.522 4.953 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H]2CCCc3ccccc32)cc1 216443459 UXRKDTOCTQXDAA-JOCHJYFZSA-N 420.534 4.603 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccco2)c1C 222955448 RZPBBOXNYOZNCE-FGZHOGPDSA-N 408.571 4.914 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 223143318 DWJBADSMJJBZSZ-QFIPXVFZSA-N 414.977 4.949 0 40 HJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223690504 JPIZJWZEVYVOIL-MRXNPFEDSA-N 403.891 4.663 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 224664265 OHIHHKKPXSNGDN-HXUWFJFHSA-N 402.538 4.716 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 225633646 FTEISOXCFSGFNB-INIZCTEOSA-N 421.368 4.868 0 40 HJAB CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1)S(=O)(=O)CC 260512993 ZEOZQLAXELKLIC-QGZVFWFLSA-N 416.587 4.651 0 40 HJAB CSc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 408623808 PVHUGIDXPXPMRM-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 409025005 JYBALMDZRSEICB-UHFFFAOYSA-N 424.566 4.914 0 40 HJAB FC(F)(F)Oc1ccccc1[C@@H]1C[C@H]1c1nc(-c2ccc(N3CCCC3)cn2)no1 546503515 QBNKPPXVKGNGBR-JKSUJKDBSA-N 416.403 4.902 0 40 HJAB C[C@@H](NC(=O)c1cccc(Oc2cnccn2)c1)c1ccc(Oc2cccnc2)cc1 570843695 SKDZQCYUAOINHA-QGZVFWFLSA-N 412.449 4.947 0 40 HJAB O=C(NCc1nccnc1-c1ccsc1)c1cccc(OCc2ccccc2)c1 575617986 COTMXAAVLBYXTP-UHFFFAOYSA-N 401.491 4.714 0 40 HJAB CC(C)(C)OC(=O)N1CC2(CCN(C(=O)Cc3ccccc3)CC2)c2ccccc21 585104231 NWNZJOCICQKTEF-UHFFFAOYSA-N 406.526 4.545 0 40 HJAB Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)[C@@H]2CCC(=O)C[C@H]2C)C3)cc1 1136626019 IOTSECBQPFSBSF-DYESRHJHSA-N 419.525 4.529 0 40 HJAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NCc4ccc(F)cc4)cc3)ccc12 2621590 JEKPAWSAPBKGAR-UHFFFAOYSA-N 417.436 4.750 0 40 HJAB CCOc1ccc(C(=O)c2cn(Cc3ccc(OC)cc3)c3ccccc3c2=O)cc1 2693189 DVIPQNKAYZVJMS-UHFFFAOYSA-N 413.473 4.688 0 40 HJAB COc1ccc(-c2cc(-c3ccc(C)c(C)c3)nc3sc(C(N)=O)c(N)c23)cc1 2890784 DMAHHPQFVJNRQB-UHFFFAOYSA-N 403.507 4.937 0 40 HJAB CCOc1ccc(C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1 3232636 BTPCLHXXQZFCAT-UHFFFAOYSA-N 419.300 4.873 0 40 HJAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1c(Cl)cc(Cl)cc1Cl 3275592 GHEUEPASXLOVHY-UHFFFAOYSA-N 420.701 4.853 0 40 HJAB Cn1c(SCc2cnc(-c3ccccc3)s2)nnc1[C@@H]1COc2ccccc2O1 3491244 DPJAHZOGWFLFRF-SFHVURJKSA-N 422.535 4.743 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1 4860379 IWKIPBRPWCLCIK-UHFFFAOYSA-N 408.483 4.527 0 40 HJAB CCCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1 4872091 JTVTVEZMTNCSGV-OAQYLSRUSA-N 409.555 4.687 0 40 HJAB CCC(C)(C)NC(=O)[C@H](OC(=O)c1cc2sccc2n1C(C)C)c1ccccn1 4924304 AIWKJINXMIFTPD-LJQANCHMSA-N 413.543 4.882 0 40 HJAB Cc1ccc(OCc2nnc(NC(=O)c3ncoc3-c3ccc(C)cc3)s2)cc1 5002001 PMWQIALJHOFIQN-UHFFFAOYSA-N 406.467 4.641 0 40 HJAB Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)cc1 5065775 IKCGWVUTHIGBAR-NHCUHLMSSA-N 402.454 4.691 0 40 HJAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCCC3)nc2-c2ccc(C)cc2)cc1 5358274 WNUYOXVVPFMWIM-GOSISDBHSA-N 418.566 4.925 0 40 HJAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Br)cc1 5584254 JTARLGLKJYWPHD-UHFFFAOYSA-N 410.358 4.945 0 40 HJAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3ncnc4sccc34)c2C)cc1 6115280 RVTGMXBAGIRNPF-UHFFFAOYSA-N 409.540 4.533 0 40 HJAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1ccc(F)cc1Cl 6453274 ACAKNVKMTUOPAX-UHFFFAOYSA-N 405.669 4.559 0 40 HJAB CCCCOc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 6651410 SIZQMRABUJRNJM-UHFFFAOYSA-N 414.461 4.918 0 40 HJAB Cc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2)c1 6868446 OJRNVVVWQFXFKD-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112777 PALWLOMSKFREDD-XMMPIXPASA-N 412.493 4.908 0 40 HJAB COc1ccc(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)c(OC)c1OC 8132767 XQEILLPNQVPNKK-UHFFFAOYSA-N 407.466 4.777 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2cccs2)oc1N1CCCCC1 8590573 GGXRSYDUIXHQNT-UHFFFAOYSA-N 408.932 4.880 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2F)N1c1nccs1 8827460 XYYZBQRCYFJMPW-MRXNPFEDSA-N 412.829 4.792 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2sccc2C)C1=O 9233880 CCZZZDYEQMCFQU-OVCLIPMQSA-N 406.916 4.693 0 40 HJAB COCc1nn2c3c(cnc2c1-c1ccc(OC)cc1)C(=O)C[C@@H](c1cccs1)C3 9290266 ZXSRYWMVULJJLJ-HNNXBMFYSA-N 419.506 4.526 0 40 HJAB O=C(CSc1nnc(NC2CCCCC2)s1)N1CCSc2ccccc21 9885381 JZOHWZZNALUMFG-UHFFFAOYSA-N 406.602 4.514 0 40 HJAB O=C(CNc1ccccc1Br)N[C@H](c1ccccc1)c1cccs1 10186173 UAIGWTGGAWMEME-LJQANCHMSA-N 401.329 4.828 0 40 HJAB Cc1ccc(N2C(=O)N(Cc3ccccc3C)c3ccccc3S2(=O)=O)cc1F 10273475 GXKHZIVXMKBXFM-UHFFFAOYSA-N 410.470 4.778 0 40 HJAB CCc1cccc(C)c1NC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 10368196 OVYLBZQTCWUXHT-UHFFFAOYSA-N 422.978 4.704 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 11094159 VLARLPYJLMHPJI-YCRPNKLZSA-N 402.922 4.734 0 40 HJAB Cc1cccc(OCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667408 YNSJTYLUJHDEGW-GOSISDBHSA-N 403.482 4.898 0 40 HJAB COc1ccc(CCC2CCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)cc1 12541432 ZFFXDCDMDKHKDU-UHFFFAOYSA-N 407.489 4.505 0 40 HJAB CCN(CC)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 12555453 VGZSBIPMEAIHGZ-KROKWJMESA-N 423.601 4.679 0 40 HJAB COc1cccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c1 12762435 MZPCVASYBDRLKL-UHFFFAOYSA-N 414.509 4.960 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1[C@H](C)Oc1ccccc1 13850045 BCCXDWHJAIOEDV-AWEZNQCLSA-N 416.934 4.822 0 40 HJAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1 14048099 OZSBKJHCURDKQR-AWEZNQCLSA-N 405.932 4.731 0 40 HJAB O=C(COc1ccccc1Cc1ccccc1)Nc1ccccc1C(=O)N1CCCC1 14168036 BYDQKYWTOYPDQS-UHFFFAOYSA-N 414.505 4.531 0 40 HJAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 14404422 PXZXAFWVQZPALA-UHFFFAOYSA-N 403.269 4.838 0 40 HJAB CC(=O)N[C@H](C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)C(C)C 14792992 QWXQTRDWQJTXNE-SFHVURJKSA-N 421.360 4.700 0 40 HJAB CCc1nc2sc([C@H](c3cccc(C(F)(F)F)c3)N3CCC[C@@H](C)C3)c(O)n2n1 16690050 MZUKNHVZUQMFLD-WBMJQRKESA-N 424.492 4.899 0 40 HJAB COC(=O)c1c(NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)sc(C)c1C 17083133 OEXCDVRJJFRCIV-UHFFFAOYSA-N 405.328 4.973 0 40 HJAB CN(CC(=O)Nc1ccccc1Br)C(=O)c1cc2cc(Cl)ccc2o1 18020168 QMVUSOFVAINKRH-UHFFFAOYSA-N 421.678 4.559 0 40 HJAB Cc1noc2nc([C@H]3CCCN(C(=O)c4cc(C(C)C)on4)C3)cc(C(F)F)c12 19564100 ZFYOQOABHNFCSE-LBPRGKRZSA-N 404.417 4.600 0 40 HJAB COc1ccc(OC)c(CN2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1 19574859 ADOTZEHONBSLPV-OMWUSAIZSA-N 424.467 4.545 0 40 HJAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19580657 DFJFISCOISLPJL-AWEZNQCLSA-N 420.435 4.525 0 40 HJAB Cc1ccc(OCc2nnc(SCc3nnc(-c4ccc(F)cc4)o3)o2)cc1C 19928061 SCTPJJHXVXLFLA-UHFFFAOYSA-N 412.446 4.747 0 40 HJAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(OC[C@H]2CCCO2)cc1 21335405 FJZOWBCRPMQXOM-HXUWFJFHSA-N 405.498 4.573 0 40 HJAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(-c2ccc([C@H](C)O)cc2)o1 22111569 DWUHAFWNFLIZOM-AWEZNQCLSA-N 422.510 4.673 0 40 HJAB COc1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 22503212 UNTNUOSXBJLKMU-UHFFFAOYSA-N 401.466 4.932 0 40 HJAB COc1cc(C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cc(Cl)c1OC 24452735 OABPBTOSVJKRGN-UHFFFAOYSA-N 415.917 4.709 0 40 HJAB COc1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1OC(F)F 30926872 JUULRMMHYOPTHE-UHFFFAOYSA-N 422.428 4.574 0 40 HJAB O=C(CNc1ccc(S(=O)(=O)C2CCCC2)cc1)Nc1cccc2ccccc12 32932762 NYQIRRRGVQAZBJ-UHFFFAOYSA-N 408.523 4.607 0 40 HJAB O=C1S/C(=C\c2ccccc2F)C(=O)N1CNc1ccc(Br)cc1 33743187 DMPPHAMGGGTSFK-DHDCSXOGSA-N 407.264 4.694 0 40 HJAB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 33776144 NSDJUKNHVNTQRH-YDZHTSKRSA-N 404.813 4.507 0 40 HJAB COc1ccc(Cc2nnc(C3CCN(C(=O)Nc4cccs4)CC3)s2)cc1 35597028 AQAYEHIOHQBHKO-UHFFFAOYSA-N 414.556 4.611 0 40 HJAB Cc1ccc(C(=O)c2cc(C)sc2NC(=O)CN2CCc3ccccc3C2)cc1 36186415 XJWJWHQUFDMWKP-UHFFFAOYSA-N 404.535 4.593 0 40 HJAB Cc1[nH]c2ccccc2c1CC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1 36370096 JXFFBVOFGPUAHL-UHFFFAOYSA-N 422.326 4.848 0 40 HJAB biogenic COc1ccc(CCC(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cc1OC 40111311 KKSGESCPFGGIPU-UHFFFAOYSA-N 416.474 4.546 0 40 HJAB CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(CC)cc2)C1 44803801 OIMGVOLWUYNQFN-IBGZPJMESA-N 418.541 4.836 0 40 HJAB C[C@H]1C[C@@H](C)CN(c2nnc(SC[C@@H]3CC3(Cl)Cl)n2Cc2ccco2)C1 48249444 IUPYGHVAQFQZGQ-MJBXVCDLSA-N 415.390 4.688 0 40 HJAB NC(=O)[C@H]1C[C@H]2CCCC[C@H]2N1c1ncnc2scc(-c3ccc(Cl)cc3)c12 58161180 KHMRTKOBQZNUBE-KBRIMQKVSA-N 412.946 4.635 0 40 HJAB Cc1noc(C)c1[C@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccc(Cl)cc1 61720432 QWZHFELKUGAIAB-GFCCVEGCSA-N 402.859 4.846 0 40 HJAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(Cc3ccncc3)C2)n1 72345948 VDTBMZDTUOATQE-QGZVFWFLSA-N 413.447 4.519 0 40 HJAB CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1ccnn1C 72370755 PNUDHIHDLYTAGP-SFHVURJKSA-N 424.614 4.760 0 40 HJAB FC(F)(F)COc1cccc(CN2CCc3c(ncn3CCc3ccccc3)C2)c1 95982819 VWKSUUIMKBPDHS-UHFFFAOYSA-N 415.459 4.625 0 40 HJAB CSc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1 96103616 DEOOGMXWCKNNDH-IZZDOVSWSA-N 418.518 4.852 0 40 HJAB COc1ccccc1[C@H]1Nc2nonc2N=C2C[C@@H](c3ccc(F)cc3)CC(O)=C21 102839044 JOYAOJMRORJKQS-ZUOKHONESA-N 406.417 4.846 0 40 HJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 108871651 PDMKLCHUTQOBRW-JTDSTZFVSA-N 414.619 4.813 0 40 HJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 219033900 KKDLSKNDVFVCFB-CQSZACIVSA-N 407.857 4.627 0 40 HJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 222962177 AMHBQUSRWVRXBU-FQEVSTJZSA-N 420.475 4.828 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C 223700122 OVSRUHPEAVKOLX-QHCPKHFHSA-N 424.585 4.714 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 224355104 JKSWRUZKJRXRQQ-OAQYLSRUSA-N 416.562 4.560 0 40 HJAB Fc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225022948 BOPQTLVTNNYOPK-VXKWHMMOSA-N 406.530 4.927 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)CCc3ccc(Cl)cc3Cl)n2)c1 225380817 OIUWJWQTRBHVKX-UHFFFAOYSA-N 404.297 4.943 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)cc1 225555724 GRKRLFRBBBBBRO-QGZVFWFLSA-N 418.990 4.682 0 40 HJAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1 225567023 LZIBUMGRMAVXGF-UHFFFAOYSA-N 424.585 4.793 0 40 HJAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(S(C)(=O)=O)cc1 225691329 YQRCDCMIZJGHLZ-LAUBAEHRSA-N 417.571 4.557 0 40 HJAB FC(F)(F)c1cccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)c1 225818766 NSFFGHHCOONTGI-UHFFFAOYSA-N 412.824 4.895 0 40 HJAB Cc1ncsc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257201901 AJOLGNNXNONIFK-OAHLLOKOSA-N 401.919 4.704 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccnc4)c3C)N21 260769256 LAPFCBLMMRWYFI-YHYVQYDKSA-N 403.555 4.864 0 40 HJAB Cc1cc(I)cc(C)c1NC(=O)CSc1ccc(F)cc1 409175771 CORGSEPUEIHZLU-UHFFFAOYSA-N 415.271 4.778 0 40 HJAB C[C@@H](CC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1F 504243854 LMQYZUTWUIMPQR-IRXDYDNUSA-N 405.473 4.844 0 40 HJAB COc1ccc(-c2ncc(C(=O)N(c3ccccc3)C3CCN(C)CC3)s2)cc1 608555750 WTDCEXUEOZMAAX-UHFFFAOYSA-N 407.539 4.560 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)C1(c2nc([C@H]3CCCc4ccccc43)no2)CC1 680679667 VVYIURNRQCNETC-SFHVURJKSA-N 414.914 4.654 0 40 HJAB Cc1nc(O)c2ccc(C(=O)N3CCC[C@@H](c4cccc(C(F)(F)F)c4)C3)cc2n1 1525743665 XWHYZAMAMBBBHD-MRXNPFEDSA-N 415.415 4.682 0 40 HJAB C=Cc1cccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1911925645 SXJLLELNTGHKOO-DEOSSOPVSA-N 413.473 4.864 0 40 HJAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 2037845659 FWGOPJMNNWUHTF-SFHVURJKSA-N 403.457 4.906 0 40 HJAB O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1ccco1 1341683 MGYGTWOWYSUVES-QFIPXVFZSA-N 424.472 4.844 0 40 HJAB Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)(C)C 1366751 SAMUWKYLDJNOSP-UHFFFAOYSA-N 420.538 4.701 0 40 HJAB O[C@@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1)[C@H]1CCCCN1 1568034 OCVRKDMRZFCUEE-PBHICJAKSA-N 404.354 4.962 0 40 HJAB in-man CC1(C)Cc2nc3oc4c(SCC(=O)c5ccccc5)ncnc4c3cc2CO1 2342159 PFLOHZADZLKMMH-UHFFFAOYSA-N 405.479 4.597 0 40 HJAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1cccc(C(F)(F)F)c1 2367926 PUEFYNFQMJJIKG-UHFFFAOYSA-N 406.360 4.624 0 40 HJAB COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2F)cc1F 2618301 UMIBPDYMZYSJIZ-UHFFFAOYSA-N 410.445 4.965 0 40 HJAB C[C@H](c1nc2c3c4c(sc3ncn2n1)CCC4)n1nc(C(F)(F)F)cc1C1CC1 2788843 RILQZTVFCNUBTO-SECBINFHSA-N 418.448 4.530 0 40 HJAB O=C(COC(=O)c1ccccc1Br)NC(c1ccccc1)c1ccccc1 3312954 WHDXYNGKLAKUQN-UHFFFAOYSA-N 424.294 4.512 0 40 HJAB CN(CCOc1ccc(Cl)cc1)C(=O)/C=C/c1cc(Br)ccc1F 3406509 AAEXEOJYZUCVSJ-XNWCZRBMSA-N 412.686 4.792 0 40 HJAB Cc1sc2ncnc(N3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)c2c1C 3433335 XDZMACFDTVKIMD-FQEVSTJZSA-N 420.582 4.718 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 3497397 XGJYRTSNPPWXLJ-UHFFFAOYSA-N 405.237 4.752 0 40 HJAB CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccc(C)cc1 4682013 MVZOXJSFFWQZQY-UHFFFAOYSA-N 409.540 4.614 0 40 HJAB Cc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)c(C)c1 5164436 VRUITDXLWLLLDF-IEZKXTBUSA-N 410.533 4.749 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)c1C 6200313 UAFQOLXCUQJZMJ-ZDUSSCGKSA-N 418.493 4.547 0 40 HJAB CCOc1ccc(C(C)=O)cc1Cn1cnc2sc(-c3ccccc3)cc2c1=O 7386238 ZVPWVUAUEWSZKA-UHFFFAOYSA-N 404.491 4.775 0 40 HJAB O=C(CN1CC=C(c2ccccc2)CC1)N[C@@H](c1ccc(F)cc1)c1cccs1 7647452 BQHUANUPXPZHSK-DEOSSOPVSA-N 406.526 4.882 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C)c2)c(NC(=O)C2CCC2)c1 7765041 KVHMSIPNTDAWOT-UHFFFAOYSA-N 416.543 4.556 0 40 HJAB CCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(Cl)s2)cc1 8026025 JAOAMKWVAXMRHD-UHFFFAOYSA-N 406.960 4.750 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1C 8041583 QSVHGQTWRHSEJA-LJQANCHMSA-N 402.494 4.639 0 40 HJAB CCc1ccc(NC(=O)Cc2nc(-c3cccc(N4CCCC4=O)c3)cs2)cc1 8297041 YVCNLMXLOIYJCK-UHFFFAOYSA-N 405.523 4.681 0 40 HJAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)c1 8475435 QAKTWWFXRWNJRN-HNNXBMFYSA-N 400.434 4.586 0 40 HJAB COc1ccc(-c2nsc(NC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1 8613996 ZONAEKBEQSPYLR-LBPRGKRZSA-N 403.891 4.582 0 40 HJAB CCN1C(=O)c2cc(NS(=O)(=O)C3CCCCC3)ccc2Oc2ccccc21 8961141 ACZNNYDTWIANMR-UHFFFAOYSA-N 400.500 4.533 0 40 HJAB Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3ccc(F)cc3C)ccc1O2 8961315 HEOKWASPWSHPDH-UHFFFAOYSA-N 412.442 4.601 0 40 HJAB COc1ccccc1CNC(=O)CSc1nnc(-c2ccccc2)c2ccccc12 8981174 FELMOUQVWTWIIA-UHFFFAOYSA-N 415.518 4.714 0 40 HJAB COc1ccc(NC(=O)c2ccc3nc(-n4c(C)ccc4C)sc3c2)cc1OC 8990876 KQGMOSJLNPFDIJ-UHFFFAOYSA-N 407.495 4.973 0 40 HJAB COc1ccc(-c2c(NC(=O)c3cccs3)n(C)c3ccccc3c2=O)cc1OC 9187830 QHBBIPWBGVUWCK-UHFFFAOYSA-N 420.490 4.537 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)COc1ccc(Cl)c2ccccc12 9836827 PLCJXCDFMYXZBU-UHFFFAOYSA-N 419.912 4.775 0 40 HJAB COc1ccc(-c2ccc(CCC(=O)NCc3ccccc3OC(F)F)o2)cc1 10115084 HAYDHXDOAAUGMC-UHFFFAOYSA-N 401.409 4.806 0 40 HJAB Cn1ccnc1[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1F 12547683 QZYNEGDLVRANDI-RUZDIDTESA-N 413.496 4.987 0 40 HJAB Fc1ccccc1N1CCN(Cn2c(COc3ccccc3)nc3ccccc32)CC1 12550450 KZVRCVLWWHDEBM-UHFFFAOYSA-N 416.500 4.534 0 40 HJAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2ccc3oc4ccccc4c3c2)c1 12589659 WNNRCAXZSRBXJJ-UHFFFAOYSA-N 423.490 4.836 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)COc2ccc(Cl)cc2Br)cc1 12733402 PUBSKMWRVLVPBN-QGZVFWFLSA-N 424.722 4.854 0 40 HJAB CC[C@@H](NC(=O)CCn1c(-c2ccc(OC)cc2)n[nH]c1=S)c1ccc(C)cc1 12794163 XODORIGNLLAYAB-LJQANCHMSA-N 410.543 4.582 0 40 HJAB O=C(Nc1cccc(CO)c1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 12809935 PYHQJVMNRLLPGN-UHFFFAOYSA-N 417.896 4.996 0 40 HJAB CC(C)(C)c1ccccc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 12994328 FJLXPLUTSFPMFA-PGMHBOJBSA-N 413.481 4.867 0 40 HJAB COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc(C)c3)CC2=O)cc1 13063068 AKXJHQAPXSZPIC-HXUWFJFHSA-N 411.505 4.922 0 40 HJAB CC(=O)Oc1ccc(-c2cccc(C(=O)OCc3nnc(-c4cccs4)o3)c2)cc1 13149571 MUSSTTPHUIQQHA-UHFFFAOYSA-N 420.446 4.747 0 40 HJAB O=c1c2c3c(sc2n(CCc2ccccc2)c(=O)n1-c1ccc(Cl)cc1)CCC3 13514084 UNQNLJFWLNYPOK-UHFFFAOYSA-N 422.937 4.599 0 40 HJAB CCCCc1ccc(NC(=O)[C@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 13712638 UYSPENRLLDDBJV-FQEVSTJZSA-N 422.978 4.866 0 40 HJAB O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCN(Cc2cccs2)CC1 14117256 SHNTXDUUWWUBSH-UHFFFAOYSA-N 403.507 4.514 0 40 HJAB COc1ccc(-c2cs/c(=N\C(=O)c3ccccc3)n2-c2ccccc2OC)cc1 16711380 KXQZVNZZPKFSRG-IZHYLOQSSA-N 416.502 4.964 0 40 HJAB COc1ccc(CCC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 16953690 ZOKNPFXLGLBJSR-UHFFFAOYSA-N 414.505 4.860 0 40 HJAB Fc1ccc(N2C(c3ccccc3)=N[C@H](N3CCCCC3)[C@@H]2N2CCCCC2)cc1 19321217 MLEUFHNJSXGUHY-JWQCQUIFSA-N 406.549 4.717 0 40 HJAB O=C(N[C@H](c1ccccn1)C1CCN(Cc2cccc(F)c2)CC1)c1cccc(F)c1 19400844 MNJAPJJMZRCIER-DEOSSOPVSA-N 421.491 4.743 0 40 HJAB Cc1cnc(C(=O)N2CCC(c3cc(Cc4ccccc4Cl)cc(C)n3)CC2)cn1 19691668 IYQUOKOXQPGJEX-UHFFFAOYSA-N 420.944 4.752 0 40 HJAB COc1cccc([C@H](CC(=O)c2ccccc2)c2c(O)c3ccccc3oc2=O)c1 19897604 ZHRHQHWXSJKWCL-FQEVSTJZSA-N 400.430 4.912 0 40 HJAB COc1cc(NC(=O)c2ccccc2)c(-c2nc(-c3ccccc3)no2)cc1OC 20722676 UDFZUXLHWUBHNN-UHFFFAOYSA-N 401.422 4.673 0 40 HJAB COc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F 22075772 YYNVTURTKYILPY-OAQYLSRUSA-N 415.892 4.890 0 40 HJAB CCc1cccc(C)c1NC(=O)Cn1cnc2c(-c3ccccc3)csc2c1=O 23126353 XNOLUFQUEOECNW-UHFFFAOYSA-N 403.507 4.635 0 40 HJAB CCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2sc3c(c2c1=O)CC[C@H](C)C3 27778196 BFLALDSGQHYASC-NWDGAFQWSA-N 418.588 4.962 0 40 HJAB CCN(CC)[C@@H](CNC(=O)COc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 28290539 DMOSHJBGZPSBTP-QFIPXVFZSA-N 400.538 4.701 0 40 HJAB COc1cc2sc(NC(=S)NC(=O)c3ccccc3Cl)nc2cc1Cl 32127795 MAQJKJKLUSVWMW-UHFFFAOYSA-N 412.323 4.739 0 40 HJAB O=c1c2cc(Cl)ccc2ncn1Cc1csc(Cc2ccc(Cl)cc2)n1 32327582 DIAKIVURPYJAHI-UHFFFAOYSA-N 402.306 4.799 0 40 HJAB CCN(C(=O)CSc1nnc([C@H](C)Oc2ccc(F)cc2)o1)c1ccccc1C 32858285 MZZCFWAFYSIGCP-HNNXBMFYSA-N 415.490 4.802 0 40 HJAB COc1ccc2nc(C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4s3)ccc2c1 32868840 WLPZMSKQXVLUAO-KRWDZBQOSA-N 419.506 4.679 0 40 HJAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 33734901 HVMGKRHZCGHQDU-UHFFFAOYSA-N 406.482 4.642 0 40 HJAB CC(C)C[C@@H](C)n1nccc1NC(=O)c1csc(COc2ccc(F)cc2)n1 36395640 DKOBGTADABYYSF-CQSZACIVSA-N 402.495 4.917 0 40 HJAB C[C@H](OC(C)(C)C)[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 38138674 VIUVLZHFMIFLHU-BTYIYWSLSA-N 411.498 4.524 0 40 HJAB biogenic Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)on4)c3C)N=C2S)c(C)c1 39976012 LZPFIEGBXUUXKO-WQRHYEAKSA-N 406.511 4.681 0 40 HJAB CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1 53239527 PKCDDUHJAFVJJB-UHFFFAOYSA-N 421.504 4.822 0 40 HJAB in-vitro Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Oc2ccncc2)cc1 62581090 UOCAHDZGTXBVGX-UHFFFAOYSA-N 419.300 4.746 0 40 HJAB Cn1c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc(Cl)c1Cl 65854867 VBFAKZGRGKERHA-LLVKDONJSA-N 403.693 4.795 0 40 HJAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(C)s2)C12CCCCC2 71282878 ZPVUNEROJIYEOK-KBXCAEBGSA-N 412.559 4.526 0 40 HJAB Cc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 71768994 BIAZAVNQGDVAFS-UHFFFAOYSA-N 417.553 4.851 0 40 HJAB CC(C)(C)CN(C[C@@H](O)c1ccccc1)C(=O)Nc1ccc(Cn2cccn2)cc1 72313624 JJJMAIZAIARPPE-JOCHJYFZSA-N 406.530 4.545 0 40 HJAB NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)CC2CCCC2)CC1 72345077 AKLNBFJIYYFPJZ-UHFFFAOYSA-N 410.583 4.632 0 40 HJAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 72352548 UGMSADZRCSMSJC-GOSISDBHSA-N 416.550 4.536 0 40 HJAB O=C(C[C@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21)N1CCCC1 96053210 RQEHUXHSPBIKGB-FQEVSTJZSA-N 410.583 4.662 0 40 HJAB O=C(CSC1=N[C@H]2Nc3ccccc3[C@H]2N=N1)c1ccc(Br)cc1 96191568 IAFNBRWCIVSKTH-HZPDHXFCSA-N 401.289 4.680 0 40 HJAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCSCc1ccccc1 96234464 ABAUOBVVRYCUSQ-UHFFFAOYSA-N 401.919 4.672 0 40 HJAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 97117408 OESZVJCUTJOTOW-FGZHOGPDSA-N 408.542 4.529 0 40 HJAB CCOc1ccc(C2=C[C@@H](c3ccccc3OC(F)F)n3ncnc3N2)cc1Cl 101642203 LBNXFUCQEXCYLU-INIZCTEOSA-N 418.831 4.988 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3cccc(CN4CCC(C)CC4)c3)no2)cc1 141564137 NZJKQHKRLBYPDT-UHFFFAOYSA-N 405.498 4.834 0 40 HJAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(N2CCCC2=O)cc1 219198448 DBWPPDHOXBHJEG-UHFFFAOYSA-N 423.365 4.783 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 222862422 DZMKMNPLUPXEDY-HNNXBMFYSA-N 421.368 4.868 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccncc2)c1C 222953109 PPNQUDSCDYIXNM-DHIUTWEWSA-N 419.598 4.716 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1Cc1cccnc1 223469200 DLHHLCIQUBRLRH-DHIUTWEWSA-N 417.582 4.956 0 40 HJAB CC[C@H](NC(=O)COc1ccc(Br)c(C)c1)c1ccc(OC)c(C)c1 223713609 PIJCQZRBOBMJSD-SFHVURJKSA-N 406.320 4.721 0 40 HJAB CC(C)Oc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 223925850 PNCCFBDTYXIWTO-UHFFFAOYSA-N 410.495 4.527 0 40 HJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 223954369 WWPGPFWGIMSAPJ-LJQANCHMSA-N 410.558 4.997 0 40 HJAB Cc1cc(C(=O)N(C)c2ccccc2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224007310 BRWLZOOXOFIELX-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB Oc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224177077 UBZOBCWDZBFFMD-PKTZIBPZSA-N 412.518 4.755 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 225050124 UMLJIWIKGZDQSM-RTWAWAEBSA-N 424.585 4.829 0 40 HJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccccc1 225424682 UVUHBNZNNSMUER-QFIPXVFZSA-N 412.599 4.545 0 40 HJAB Cc1cc(F)ccc1S(=O)(=O)NCCSCc1ccc(Cl)c(Cl)c1 225592901 OABRYMCCTIWIGV-UHFFFAOYSA-N 408.347 4.653 0 40 HJAB CC(=O)c1cccc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 225804664 VFIVPRCTASZQKL-UHFFFAOYSA-N 403.360 4.529 0 40 HJAB O=C(c1ccc(Br)cc1)N1CCC(Oc2cccc3cccnc23)CC1 238973148 ZPGXCEHMQBXXOO-UHFFFAOYSA-N 411.299 4.681 0 40 HJAB COC1CCN(c2ccc(C(=O)Nc3ccc(Br)c(C)c3)cc2)CC1 244983896 IWHHBMSFNRCKMP-UHFFFAOYSA-N 403.320 4.625 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 408671852 LRLAXBPALOQETA-NPFVIJTESA-N 416.521 4.765 0 40 HJAB O=C(CSCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 408867081 JFMHFFLMJNIAHA-UHFFFAOYSA-N 416.590 4.854 0 40 HJAB CC(C)c1ccc(NC(=O)/C=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1 409173748 RDPQIVGBPPACMR-CCEZHUSRSA-N 424.522 4.533 0 40 HJAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3CC[C@H](Cc4ccccc4)C3)C2)c1 1523602541 OEUJHJTXAQUGAI-GIFXNVAJSA-N 418.581 4.683 0 40 HJAB COc1cc2c(cc1OC)[C@H](NC(=O)[C@@H](C)c1ccc(C[C@H]3CCCC3=O)cc1)CC2 1565534619 QHCBMIKLZYFYHU-SAWYMBPVSA-N 421.537 4.523 0 40 HJAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CCN(Cc2ccccc2)CC1 645729 NIXVSNOUSINWRM-UHFFFAOYSA-N 423.944 4.696 0 40 HJAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(Cl)cc1 832554 DHJYDSVNMVVTBL-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB CCOc1ccc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc2c1 836089 FZCOTZHDFFQQIZ-UHFFFAOYSA-N 409.551 4.882 0 40 HJAB O=C(Nc1cccc(O)c1)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F 866036 WFFOLPFLWDPYPC-IRXDYDNUSA-N 420.366 4.640 0 40 HJAB Cc1ccc(C2=NCCNC3=C2[C@@H](c2cccc(F)c2)N(c2ccccc2)C3=O)cc1 1404877 GTTMECBDEOZWEX-RUZDIDTESA-N 411.480 4.569 0 40 HJAB CCOC(=O)[C@H]1C(c2cccs2)=CS[C@H]1NC(=O)CSc1ccc(C)cc1 1465495 XPDNGMJBUVLLSK-RBUKOAKNSA-N 419.593 4.558 0 40 HJAB CCCOc1ccc(Nc2ncnc3ccc(I)cc23)cc1 1911091 MMIIMRXXEDXOIT-UHFFFAOYSA-N 405.239 4.767 0 40 HJAB CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)c(C(=O)O)c3)sc2c1 2754846 SXKZAHRAGKXAAS-UHFFFAOYSA-N 422.915 4.777 0 40 HJAB COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)c1 4062140 ROXJCVJZPAJKGV-IURDAJEJSA-N 421.537 4.612 0 40 HJAB biogenic Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3c(C)cc(C)cc3C)c3ccccc32)cc1 4555156 PZPLPJWLMPSFDT-MHZLTWQESA-N 413.517 4.928 0 40 HJAB COc1cc(C(=O)Oc2ccc(Sc3ccc(O)cc3)cc2)cc(OC)c1OC 4666524 DFPYSMRWHPQJRI-UHFFFAOYSA-N 412.463 4.788 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 4835716 XXWQORRNGAHPCS-GOSISDBHSA-N 414.534 4.904 0 40 HJAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](/C(Br)=C/c2ccccc2)N3)C1 4947791 GIHBWWLOIRVEPK-GRZVBFSBSA-N 403.345 4.790 0 40 HJAB COc1ccc(-c2nnc(SCCCOc3ccc(Cl)cc3)o2)c(OC)c1 5355655 HYBSKYKVHYTRAP-UHFFFAOYSA-N 406.891 4.968 0 40 HJAB COc1ccc(CN(C)CC[C@@]2(c3ccccc3)C[C@H](C)N(C)C[C@H]2C)cc1OC 5358755 OJEZOEWJJBKOBO-YZIHRLCOSA-N 410.602 4.824 0 40 HJAB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccccc2)cc1 5559628 DCKIPAMWIAVWOC-HSZRJFAPSA-N 413.477 4.629 0 40 HJAB CCC(CC)C(=O)NCCN1C(=O)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O 6628270 ZKRCVAWCIVNSMQ-JXAWBTAJSA-N 402.560 4.573 0 40 HJAB COc1cc(OC)c(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc1Cl 6819114 UDZBDQATSBDCBL-DJJJIMSYSA-N 409.269 4.780 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@@H](C)Oc1ccccc1 8090326 SOEBBRCJBKDZBP-CQSZACIVSA-N 416.934 4.822 0 40 HJAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(F)c(F)c3F)n2)cc1 8484240 PYQNPKDCNCSVIF-SNVBAGLBSA-N 406.433 4.571 0 40 HJAB O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)Nc1cccnc1 9422365 UCTGKESMGHXMGV-UHFFFAOYSA-N 406.825 4.526 0 40 HJAB COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2c1c(C)nn2-c1ccccc1 12397111 ZEGYCSQCRMZZLG-UHFFFAOYSA-N 409.392 4.784 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)N(C)Cc2nc3ccccc3s2)c(Br)c1 12772576 KXMJMLLMGXKELE-ZDUSSCGKSA-N 418.360 4.826 0 40 HJAB COc1cc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc(OC)c1OC 12821723 NWRQCIGTGKWLDO-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB CN1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)c2nc3ccccc3nc21 12872927 PFDPDOVQYNZSCP-UHFFFAOYSA-N 412.877 4.734 0 40 HJAB COc1cc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc(OC)c1OC 12907846 QSQWNIAPKKFVGJ-IBGZPJMESA-N 415.536 4.623 0 40 HJAB Cc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccc(F)cc4)OC3=O)cc2)cc1 13928708 HNKLXQHUAZLVRY-STZFKDTASA-N 401.393 4.698 0 40 HJAB C[C@H](NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1ccc(F)cc1 14142351 ICAVFXWIOMSTMK-KBXCAEBGSA-N 413.543 4.977 0 40 HJAB COc1ccc2c(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)coc2c1 14251087 SMVOKIBHMPZAOX-HXUWFJFHSA-N 407.466 4.509 0 40 HJAB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=S)N[C@H]1c1ccc(F)cc1 16059759 ZPYALHKYKHHNAG-KRWDZBQOSA-N 424.419 4.727 0 40 HJAB CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc(Br)cc2F)cc1 16141728 JBMMJVCZQHJSTQ-GOSISDBHSA-N 422.294 4.729 0 40 HJAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4cc(OC)ccc4OC)sc3n2)cc1 16992501 IIQRXNUAHCEJCY-UHFFFAOYSA-N 423.494 4.649 0 40 HJAB CCCC12CN3CC(C)(CN(C1)C3c1cn(Cc3ccccc3)c3ccccc13)C2=O 19322775 WSUXWWCNWWZCRN-UHFFFAOYSA-N 413.565 4.695 0 40 HJAB biogenic COc1ccccc1-c1ccccc1NC(=O)[C@@H](c1ccc(F)cc1)N1CCOCC1 19660200 LOHAXBPXCVKCPT-XMMPIXPASA-N 420.484 4.513 0 40 HJAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N(CC)CC)c2c1 20381428 ULPWXDOLBMVKCF-UHFFFAOYSA-N 412.555 4.929 0 40 HJAB C[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(F)cc1 20491598 PNYRWQQPRYWRER-CMJOXMDJSA-N 424.497 4.684 0 40 HJAB CCCOc1ccc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)cc1OCC 21708826 HFYCDBVZMIKVFM-FQEVSTJZSA-N 413.514 4.869 0 40 HJAB CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 23156617 KHYOXPSCBORSSA-MRXNPFEDSA-N 424.925 4.685 0 40 HJAB CN(C)[C@H](CNC(=O)CCCSc1nc2ccccc2s1)c1cccs1 23866731 VPFDDAILHZXWDP-OAHLLOKOSA-N 405.614 4.649 0 40 HJAB C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)[C@H](c1ccccc1)N1CCOCC1 23873049 VNGUSSDYXGOPJD-NBGIEHNGSA-N 400.522 4.545 0 40 HJAB Fc1ccc(OCc2nnc(SCc3cc(Cl)c4c(c3)OCCCO4)o2)cc1 24107702 LSDXQMPIHZVEKE-UHFFFAOYSA-N 422.865 4.895 0 40 HJAB CC(C)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cccc(Cl)c21 32102196 UIURZPZRRSLRMJ-QHCPKHFHSA-N 420.900 4.806 0 40 HJAB CC(C)c1ccc(/C=C2\NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 32111775 GRPODJJUFJASIC-BOPFTXTBSA-N 401.329 4.835 0 40 HJAB CCOc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)no2)cc1 32623963 PEBWCZMZXGQAJB-ZDUSSCGKSA-N 401.850 4.503 0 40 HJAB COc1ccc(Br)c(C(=O)N(Cc2ccsc2)CC(F)(F)F)c1 44447616 YMEPIYDEEMTOLU-UHFFFAOYSA-N 408.239 4.724 0 40 HJAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 44850510 MCUFUZVSXHXUHE-UHFFFAOYSA-N 419.717 4.574 0 40 HJAB O=C(N[C@H]1CCSc2ccc(F)cc21)N1CCC(CN2CCCCCC2)CC1 58225166 PMKJJJDIKKEOLD-FQEVSTJZSA-N 405.583 4.660 0 40 HJAB O=S(=O)(Cc1ccccc1Cl)NCc1cccc(COCc2ccccc2)c1 58279031 RVTAZPIDGUBGGT-UHFFFAOYSA-N 415.942 4.676 0 40 HJAB O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1nc(N2CCCC2)ncc1Cl 65695612 WQDOLMNLRYAGPF-UHFFFAOYSA-N 421.328 4.957 0 40 HJAB COc1ccc(CC(=O)N2CCC(c3cncc(-c4cccc(Cl)c4)n3)CC2)cc1 72359630 HOMSPZNXINASCH-UHFFFAOYSA-N 421.928 4.754 0 40 HJAB C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cccc(NC(=O)c2cccs2)c1 78714507 GJKHOTXMPZLFBY-CQSZACIVSA-N 421.547 4.971 0 40 HJAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cc2ccc(Br)cc2s1 79192027 WBBCPQFJUAHCHP-GOEBONIOSA-N 407.377 4.658 0 40 HJAB biogenic Cc1ccccc1Cc1nc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)no1 95964358 XXPWKZAPXBDTFU-UHFFFAOYSA-N 409.917 4.717 0 40 HJAB CC(C)CN1Cc2cccc(C(=O)N3[C@H]4CC[C@H]3CC(c3ccc(F)cc3)C4)c2C1=O 100166716 DYAWHOGVJUXOLE-VXKWHMMOSA-N 420.528 4.988 0 40 HJAB Cc1nn(C)c(C)c1/C=C1/C[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O 118916017 IFDSJTUAVYQLDO-YOARPEEWSA-N 412.618 4.795 0 40 HJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccccc2)c1C 222871263 IBDASTSXEBFOSY-XZOQPEGZSA-N 404.583 4.931 0 40 HJAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)s2)cc1 224176970 KYPMBCQMWTYWGC-CQSZACIVSA-N 411.527 4.917 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1F 224198321 GPZHSYQWWJLVHC-HSZRJFAPSA-N 410.533 4.543 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(OC)c(Cl)c3)o2)c(OC)c1 224869558 PLWNIZQBWAUIJB-UHFFFAOYSA-N 416.861 4.592 0 40 HJAB COc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225591334 PYLSUKDXRXDOAA-HNNXBMFYSA-N 404.913 4.577 0 40 HJAB CNC(=O)C1(Cc2ccc(-c3cccc(C)c3)cc2)CCN(C(=O)CC(C)C)CC1 257330414 XOHAHALZOIQIJG-UHFFFAOYSA-N 406.570 4.605 0 40 HJAB O=C(NCC[C@@H](O)c1cc2ccccc2o1)NC(c1ccccc1)c1ccccc1 390827074 DTAIDQXGDYEIET-OAQYLSRUSA-N 400.478 4.945 0 40 HJAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 408561537 JIGQWVZFDVAXCQ-UHFFFAOYSA-N 401.532 4.547 0 40 HJAB Cc1cc(Br)c(NC(=O)[C@@H]2CCCN2C(=O)Oc2ccccc2)cc1C 408996887 BGSJKPHSXVMNDP-SFHVURJKSA-N 417.303 4.668 0 40 HJAB CCCCCN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2Br)C1=O 409210799 LIUHOVXSRSEJAD-DHDCSXOGSA-N 414.321 4.693 0 40 HJAB CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2cccc(C)c2)CC1 585166185 OFWUNTYLGJYBFW-UHFFFAOYSA-N 413.565 4.628 0 40 HJAB COc1ccc([C@@H](NC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)C(C)C)cc1OC 604419504 GZMDRBGQSILGDJ-UGKGYDQZSA-N 422.529 4.824 0 40 HJAB Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)Cc1cncc2ccccc12 1622374641 JAUIXRSQLWTRIH-HXUWFJFHSA-N 410.949 4.955 0 40 HJAB CCOc1ccc(NC(=O)[C@@H](C)Sc2nc3ccc(NC(C)=O)cc3s2)cc1 780266 SJTGNTUBRSRUEB-GFCCVEGCSA-N 415.540 4.773 0 40 HJAB CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc(Cl)c1OC(C)=O 824613 PDBCMVMJWDDKRH-SXGWCWSVSA-N 420.248 4.662 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc3c(C)cc4cc(C)ccc4n23)cc1 877091 PQCLXJMRXQCQTD-UHFFFAOYSA-N 406.511 4.629 0 40 HJAB Cc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccncc1 1341700 DQOZFEGOBITBCJ-QHCPKHFHSA-N 417.509 4.820 0 40 HJAB COCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 2714569 QEJFPLYAHUMQJW-UHFFFAOYSA-N 423.314 4.908 0 40 HJAB Cc1ccc(C(C)C)c(OCCNC(=O)c2ccc(I)cc2)c1 3147907 YXPMNHOWKSRDFL-UHFFFAOYSA-N 423.294 4.532 0 40 HJAB O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1cccc(Cl)c1 3633247 BOYHFRMRSLOWLL-UHFFFAOYSA-N 403.869 4.746 0 40 HJAB CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccc(F)cc3)N2C1=O 3636833 KWUNAFNQJOCBHJ-UYAOXDASSA-N 424.497 4.608 0 40 HJAB COc1ccccc1C(=O)Oc1ccc(C(=O)C=Cc2ccc(N(C)C)cc2)cc1 4235502 PZZCTGNRXDZCOX-UHFFFAOYSA-N 401.462 4.877 0 40 HJAB biogenic CSc1ccc([C@@H]2NC(=S)NC(C)=C2c2nc(-c3ccc(C)cc3)no2)cc1 4483831 WKDUUKYABZHMLG-SFHVURJKSA-N 408.552 4.717 0 40 HJAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(C(C)C)cc2)n2ncnc2N1 4723430 PZITTZAQPCLBPM-FQEVSTJZSA-N 407.905 4.983 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 4816631 DCDZGOLVCLLEFF-SFTDATJTSA-N 408.477 4.539 0 40 HJAB CC1(C)C[C@]2(CCO1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccco3)=NN12 4907959 PRQJSYYZSIZUMQ-JXFKEZNVSA-N 417.303 4.871 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](Oc1ccc(C(C)=O)cc1OC)c1ccccc1 5194367 SXZXSBFPTPSOIU-XMMPIXPASA-N 419.477 4.974 0 40 HJAB CCOc1ccc2c(c1)C(c1cccs1)=NNC(c1cc(OC)cc(OC)c1)=N2 5672172 YLWORTXHILOEEO-UHFFFAOYSA-N 407.495 4.598 0 40 HJAB CCc1ccc2c(CSc3nnc(-c4ccc(OC)cc4)n3CC)cc(=O)oc2c1 5851804 SPDOSEWNYZROLC-UHFFFAOYSA-N 421.522 4.935 0 40 HJAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OC)cc1 6355924 JNYWTOKCEHFNNL-UMYHVIPVSA-N 414.303 4.563 0 40 HJAB Cc1ccc(CN2C(=O)[C@@]3(SCC(=O)N3c3ccc(C)cc3)c3ccccc32)cc1 6997126 UWFDCFRLYPRGOG-VWLOTQADSA-N 414.530 4.783 0 40 HJAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2ccc3ccccc3c2)c1 7007704 IRLFMJIUUGVFNT-UHFFFAOYSA-N 405.928 4.628 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)o1 7194079 IVUGZVZWENYOFG-GFCCVEGCSA-N 401.513 4.648 0 40 HJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@H]1Cc2ccccc2O1 7242603 WCLJJANNEPTZIZ-XMMPIXPASA-N 409.489 4.501 0 40 HJAB CCCCn1nnnc1NCc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 7262125 QJMWABHUQAIHMP-UHFFFAOYSA-N 415.925 4.716 0 40 HJAB Cc1ccc(OCCCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 7505016 SCPQMSIIHZLDNV-UHFFFAOYSA-N 406.448 4.522 0 40 HJAB Cc1c(Cl)cccc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2ccccc21 7616039 DCKOEABOVBRBNJ-UHFFFAOYSA-N 403.869 4.664 0 40 HJAB O=C(CNc1cccc(F)c1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 8156659 DCBMPTFKJQFMBD-LJQANCHMSA-N 403.413 4.955 0 40 HJAB CCc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 8606618 HSWXXPDCRALNGK-RUZDIDTESA-N 424.504 4.794 0 40 HJAB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@@H]1NC(=O)c2ccccc2N1 8703986 FKKSVHHITFMCTH-QFIPXVFZSA-N 414.440 4.966 0 40 HJAB Cc1ccc(-c2cc(-c3nnc(SCc4cccc5ccccc45)n3N)[nH]n2)cc1 8970118 YFMICMNKTOBMCO-UHFFFAOYSA-N 412.522 4.803 0 40 HJAB COc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)c3ccccc3C)c3ncnn32)cc1 9288988 FUCBGPFTGLTKDZ-DNQXCXABSA-N 424.504 4.976 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)c(Cl)c1 9459487 DEAIPEGYMFOGLV-UHFFFAOYSA-N 421.975 4.613 0 40 HJAB Cc1ccc(Oc2ccccc2NC(=O)COc2ccc(-c3nnco3)cc2)cc1 9481375 DXUUKXXVYVJRHX-UHFFFAOYSA-N 401.422 4.855 0 40 HJAB COc1cccc2sc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)nc12 10381545 KCZQVSHPCZHNSW-CMDGGOBGSA-N 424.551 4.700 0 40 HJAB Cc1nc(CSc2ccccc2C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)cs1 11596179 CRHSEABAHJYKDM-KBXCAEBGSA-N 418.584 4.596 0 40 HJAB Cc1ccc(-c2cnc(CCC(=O)N3CCN(c4ccccc4Cl)CC3)o2)cc1C 12562376 VITCVOLAUYSONP-UHFFFAOYSA-N 423.944 4.893 0 40 HJAB COc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)ccc1OC(C)C 12746267 OSENPJLHUVYYDX-IBGZPJMESA-N 411.498 4.621 0 40 HJAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN(c1ccc(CCO)cc1)C3 13725880 LRMOKNQLTVKPQW-UHFFFAOYSA-N 413.473 4.660 0 40 HJAB biogenic CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1 14048100 OZSBKJHCURDKQR-CQSZACIVSA-N 405.932 4.731 0 40 HJAB O=C(CSc1nnc(Cc2ccccc2)o1)N(Cc1ccco1)C1=CCCCC1 14201371 AFEUVYXBCPFWNI-UHFFFAOYSA-N 409.511 4.832 0 40 HJAB COc1ccc(NC(=O)COC(=O)c2ccc(-c3ccccc3)nc2C)cc1Cl 16166169 RLKALKYZJZFFLI-UHFFFAOYSA-N 410.857 4.515 0 40 HJAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1OCc1ccc(Cl)cc1 18153831 FMRSLHQFDBKMEI-MYNGYRLFSA-N 415.876 4.664 0 40 HJAB NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C2CCCCC2)CC1 19700434 APBKAFGLCQBWCH-UHFFFAOYSA-N 422.544 4.710 0 40 HJAB CSc1nccc(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1 20031230 ZGSSHGJLQVNDHP-OAQYLSRUSA-N 410.974 4.764 0 40 HJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 20107471 WRLNWZFADHODRU-QHCPKHFHSA-N 402.494 4.872 0 40 HJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cn2c3c(cccc3c1=O)CCC2 22235322 SQCGUULFBIPWEH-UHFFFAOYSA-N 410.473 4.779 0 40 HJAB C[C@@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 23181135 NWQBJFCBIOHNOZ-XXBNENTESA-N 411.615 4.696 0 40 HJAB CN(C)[C@@H](CNC(=O)CCCSc1nc2ccccc2s1)c1cccs1 23866728 VPFDDAILHZXWDP-HNNXBMFYSA-N 405.614 4.649 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc(F)ccc1Br 24388468 YHYUHHIXZYCOJW-UHFFFAOYSA-N 416.294 4.663 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-n3cccc3)n2-c2ccc(Cl)cc2)c1 28534590 VRRISIQYNYKHAM-UHFFFAOYSA-N 423.929 4.751 0 40 HJAB CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(N2CCCCC2)cc1 30546514 JXXBLDGGQMOVIO-UHFFFAOYSA-N 421.570 4.551 0 40 HJAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)Cc1ccc(Cl)cc1 32609826 BTBWNCQSSCDCOL-UHFFFAOYSA-N 405.832 4.649 0 40 HJAB COc1cccc(C(=O)COC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c1 32937222 YIRHOAMECWTHNZ-UHFFFAOYSA-N 422.662 4.632 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 40050277 SZWCVRWPSOXMDG-NRFANRHFSA-N 405.498 4.574 0 40 HJAB COc1ccc(C)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079097 UDHKMRFELMQICV-UHFFFAOYSA-N 418.468 4.988 0 40 HJAB COC(=O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2C)o1 57353791 JDTLHKBUOFNUHW-GQCTYLIASA-N 400.066 4.966 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 65083836 AJVLIMHZMDNDLD-CQSZACIVSA-N 414.914 4.684 0 40 HJAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)cc4)nccn3n2)cc1 67290278 UNWJLYBOJVCJDC-UHFFFAOYSA-N 418.522 4.834 0 40 HJAB CCOc1cc(CNC(=O)c2sc(NC3CCCCC3)nc2C)ccc1OC 71326743 VLYWJRKDKGFIHT-UHFFFAOYSA-N 403.548 4.533 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)cc1 72358916 BZUAPKBZFVSVBF-LJQANCHMSA-N 421.928 4.754 0 40 HJAB O=S(=O)(c1ccccc1)N1CCc2nc(-c3cccc(C(F)(F)F)c3)sc2C1 72391982 NOWYMMJAEHRNIR-UHFFFAOYSA-N 424.469 4.576 0 40 HJAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4cc(C)no4)C3)c(-c3ccncc3)c2c1 72396806 JVQIDCVUOBAUFJ-GOSISDBHSA-N 400.482 4.855 0 40 HJAB COc1cccc(NC2=NC(=O)S/C2=C\c2cccc(Oc3ncccn3)c2)c1 72401904 VUEJVLJXLLELFI-PDGQHHTCSA-N 404.451 4.996 0 40 HJAB Cc1cc(Nc2cccc(C(=O)O)c2)c2cc(I)ccc2n1 78401651 VTQMAWLCLSONBQ-UHFFFAOYSA-N 404.207 4.590 0 40 HJAB O=C(Nc1ccc(F)cc1Br)c1cc2ccccc2nc1N1CCCC1 84594824 GGCQGWPEKUMHTF-UHFFFAOYSA-N 414.278 4.989 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)c1 95482276 SRJJXWNAAZHKSE-MRXNPFEDSA-N 413.905 4.741 0 40 HJAB Cc1ccn(CCNC(=O)c2sc3ccccc3c2[C@H]2CC[C@H](CN(C)C)CC2)n1 100658930 HTNOHXQFHLFCSM-KDURUIRLSA-N 424.614 4.672 0 40 HJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2OC(F)F)C[C@H](c2ccccc2O)C1 102623079 CGDBLYUBLXMCFQ-FKIZINRSSA-N 424.407 4.650 0 40 HJAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1-c1ccccc1 107251114 ABBKBSNXVBXCOE-UHFFFAOYSA-N 418.312 4.926 0 40 HJAB Cc1ccc(C(=O)NCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 107727728 MFJLFICIDRMCPQ-UHFFFAOYSA-N 421.353 4.653 0 40 HJAB CC[C@H](NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccc2c(c1)CCCC2 223138344 BFXCSHJQKROSNI-QFIPXVFZSA-N 413.583 4.882 0 40 HJAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCOc3cccc4ccccc34)cc2)C1 223547664 LBJYCKTZCYFQMP-FQEVSTJZSA-N 402.538 4.881 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)c(Cl)c1Cl 223853141 ATWAFYBEGLGNHU-UHFFFAOYSA-N 423.321 4.789 0 40 HJAB COc1ccccc1OCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 224276012 GDZHWTVKJXNTAL-UHFFFAOYSA-N 411.885 4.736 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 224579840 FQXMJPLGPFWWGA-XMMPIXPASA-N 424.585 4.570 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 224616676 DBICQXWKFNCFDW-JOCHJYFZSA-N 414.977 4.771 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 224676845 ICWUPMRDOAUCDG-UHFFFAOYSA-N 413.905 4.859 0 40 HJAB CCn1c(-c2ccc(C)cc2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O 254380996 QQVZHIVKAACNIN-UHFFFAOYSA-N 404.539 4.575 0 40 HJAB CC(C)c1cc(C(=O)N2CCCC[C@H]2c2nnc(-c3nccc4ccccc34)o2)no1 257220535 DLDIZWQHLABFAX-SFHVURJKSA-N 417.469 4.764 0 40 HJAB CCOc1cc(C(=O)Nc2ccc(Br)cc2F)cc(Cl)c1OC 408622527 QXXDGVLHBAPOSP-UHFFFAOYSA-N 402.647 4.901 0 40 HJAB CO[C@H]1CCC[C@@H](C(=O)N2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)C1 585262656 PMUUMWVGFWZTPR-MSOLQXFVSA-N 414.575 4.501 0 40 HJAB Cc1nc2ccnn2c(C)c1CCC(=O)Nc1ccccc1CN(C)c1ccccc1 684073359 CUVBROPUDKDUNV-UHFFFAOYSA-N 413.525 4.554 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3n2)cc1 828085 GBUZVMNQTPFFBP-UHFFFAOYSA-N 413.264 4.988 0 40 HJAB Cc1ccc(S(=O)(=O)[C@H](NC(=O)OCc2ccccc2)C2CCCCC2)cc1 1384111 WZHWEXDHOOYBKR-NRFANRHFSA-N 401.528 4.602 0 40 HJAB Cc1ccc(-n2cc3c(c2-c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n3C)c(C)c1 2402298 NMYZNYQIPJJGQO-UHFFFAOYSA-N 415.537 4.609 0 40 HJAB CC(C)c1nc2sc3c(SCC(=O)N4CCCC4)ncnc3c2c2c1CCC2 2433932 DVONCHALYOEZBC-UHFFFAOYSA-N 412.584 4.566 0 40 HJAB CC(=O)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 3049261 CVDSDNSKDARWON-UHFFFAOYSA-N 411.323 4.728 0 40 HJAB CCn1c(SCC(=O)c2ccc(O)cc2O)nnc1-c1ccc(C(C)(C)C)cc1 3278926 KUSWIZDKBCPBSJ-UHFFFAOYSA-N 411.527 4.649 0 40 HJAB COC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 3658754 SSQYQQITSVGRBC-HNNXBMFYSA-N 419.506 4.750 0 40 HJAB COc1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccccc4)c(C)nn23)cc1 5577352 JYOGWLADZMMVKH-UHFFFAOYSA-N 418.522 4.753 0 40 HJAB COc1ccc(OC)c(C(=O)CSc2nnc(Nc3c(C)cccc3C)s2)c1 5694671 JQVQJXPFKZFCGV-UHFFFAOYSA-N 415.540 4.891 0 40 HJAB CC1(C)C[C@H](NC(=O)NC2CCCCC2)C[C@](C)(CNC(=O)NC2CCCCC2)C1 6050258 WAHPXTXIILESAG-RDPSFJRHSA-N 420.642 4.835 0 40 HJAB COCCCn1c(C)cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c1C 6128814 HUPSDODOGLHSRJ-UHFFFAOYSA-N 424.570 4.575 0 40 HJAB N#C[C@H](C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc2ccccc2c(=O)[nH]1 6143640 BBPAMGXBFUMCFG-OAHLLOKOSA-N 423.350 4.692 0 40 HJAB Cc1cc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)ccc1Cl 6266307 WMJWUNKYTHTUKZ-UHFFFAOYSA-N 405.679 4.817 0 40 HJAB CSCC[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 6664320 YQXDWGKQFCHIMC-KRWDZBQOSA-N 407.461 4.735 0 40 HJAB C[C@@H](NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1 7939899 PGFWZMNWHFBOMA-CQSZACIVSA-N 410.297 4.573 0 40 HJAB CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1ccc(Cl)s1 7986751 FCJIYVAAYGQCHL-UHFFFAOYSA-N 413.930 4.724 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 8810200 YQHQPYLBPSFAMM-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Cc1cc(C)n(CCCNC(=O)c2oc3ccccc3c2COc2ccccc2)n1 8847965 KACCCTKIPTXSCP-UHFFFAOYSA-N 403.482 4.645 0 40 HJAB CCc1ccc(-n2c(SCc3cn4ccsc4n3)nc3ccccc3c2=O)cc1 9166965 QOWFSSTZGJIHOP-UHFFFAOYSA-N 418.547 4.950 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1NC(=O)c1ccccc1 9288444 WMDMMBSMNGNVBN-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB Cc1c(C)n(-c2ccc(Br)cc2)c2ncn3nc(-c4ccccn4)nc3c12 9422793 JRSRPHAOFFSETN-UHFFFAOYSA-N 419.286 4.510 0 40 HJAB Cc1ccc(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C)c(C)c1 9484067 AHBBGFHZCGFTSF-UHFFFAOYSA-N 405.889 4.931 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 9513032 DMAASJPAWPXSPM-HNNXBMFYSA-N 405.889 4.511 0 40 HJAB CN(CCC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1ccccc1Cl 12769037 XWYHYMYHORGSLN-UHFFFAOYSA-N 414.720 4.546 0 40 HJAB CC(C)Cn1nnnc1S[C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1 12846769 NIIMBEVPDWXRJE-HNNXBMFYSA-N 413.572 4.600 0 40 HJAB O=C(Nc1ccc(F)cc1Cl)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12973777 ZANSTOYFGAHSSU-SJAGGWKPSA-N 404.913 4.625 0 40 HJAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1[C@H](C)Oc1ccccc1 13850053 QIRIDLVFATXXDZ-AWEZNQCLSA-N 416.934 4.822 0 40 HJAB C[C@H]1CC2(CCCC2)N2C(=O)[C@@]3(NCCc4c3[nH]c3ccccc43)c3cc(F)cc1c32 14162432 NIYJZVRPYNEMJD-QWXGXRTQSA-N 415.512 4.863 0 40 HJAB biogenic COc1ccc(N(Cc2cc(-c3ccco3)on2)S(=O)(=O)c2cccc(C)c2)cc1 15553216 XOBRKZLTFQHWSP-UHFFFAOYSA-N 424.478 4.647 0 40 HJAB c1ccc2c(c1)-c1ccccc1C2Sc1nnc(NCCCN2CCOCC2)s1 16046192 WDEKVYZGGVIDHX-UHFFFAOYSA-N 424.595 4.534 0 40 HJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)S2)cc1 16161952 XWFHIOQVSOHYMW-PGGUJSHWSA-N 420.490 4.807 0 40 HJAB CCCCc1ccc(-n2nc3ccc(NC(=S)NC(=O)C(C)(C)C)cc3n2)cc1 17088335 IZQITINQEMVWBD-UHFFFAOYSA-N 409.559 4.622 0 40 HJAB CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)Nc3ccccc3OCc3ccccn3)c2C1 19666201 HURWYDZNMLDCBV-INIZCTEOSA-N 404.514 4.787 0 40 HJAB Cc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 20041083 VJOWBOIICRJODK-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB Nc1cc(C(F)(F)F)ccc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20366038 UVJMOKZXSIOCQS-UHFFFAOYSA-N 424.776 4.681 0 40 HJAB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2cccc(C)c2)n2c1nc1ccccc12 20675734 KJZKSIZZEXJDBK-FCHUYYIVSA-N 419.525 4.650 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 20767833 NSDZRERVFAHBNQ-UHFFFAOYSA-N 403.507 4.800 0 40 HJAB O=c1[nH]c(CN2CCCC[C@H]2c2nc3ccccc3s2)nc2cc(Cl)ccc12 23908568 YMMNNCGYLMWISD-KRWDZBQOSA-N 410.930 4.913 0 40 HJAB Cc1ccc(-n2cnnc2SCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1Cl 24751164 XSXBUBUELCQDKG-CYBMUJFWSA-N 421.353 4.852 0 40 HJAB Cc1cc2nc(C)c(CCC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)c(C)n2n1 25913647 OEAZDYQIMZHCMC-UHFFFAOYSA-N 405.329 4.553 0 40 HJAB O=C(c1ncoc1-c1cccs1)N1CCN(Cc2cccc3ccccc23)CC1 26441279 WMQYYTCPUZCMFH-UHFFFAOYSA-N 403.507 4.514 0 40 HJAB Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCOCC2)cc1 27991869 IUPQAJTVKHHQBP-HXUWFJFHSA-N 412.917 4.506 0 40 HJAB CCN(CC)C(=O)c1cccc(NC(=O)CSCc2ccc(SC)cc2)c1 30524962 ZLMBDMLYXLVCLO-UHFFFAOYSA-N 402.585 4.762 0 40 HJAB Cc1cccc(C(=O)Nc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2F)c1C 36390926 AHBJRDZEGBNVDB-UHFFFAOYSA-N 406.413 4.676 0 40 HJAB Cc1nc(CSCCC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)cs1 36394969 OYMHXRBKWQMKOB-LLVKDONJSA-N 404.479 4.851 0 40 HJAB COc1ccc(CN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)C2CC2)cc1 36883535 VFRLNCGWBPYWLP-UHFFFAOYSA-N 422.550 4.773 0 40 HJAB O=C(CCS(=O)(=O)C1CCCC1)Nc1nc(-c2cccc3ccccc23)cs1 40129024 FSCSEXAGFMYJKC-UHFFFAOYSA-N 414.552 4.649 0 40 HJAB Cc1cccc(-n2c(C)nc3nc(N4c5ccccc5C[C@H]4C)[nH]c(=O)c3c2=S)c1 40386926 OLOZEWXRHJQMQA-CQSZACIVSA-N 415.522 4.538 0 40 HJAB CCOc1ccc(CNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 44912632 NCSQYPWFFCYCRF-UHFFFAOYSA-N 421.368 4.921 0 40 HJAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N1CCCCC[C@H]1c1ccncc1 49764322 OIZVHXGAEOUOJY-IBGZPJMESA-N 400.906 4.583 0 40 HJAB CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)Nc1ccc(Cl)c(Cl)c1 51316234 ZFMVIYWRQBACOD-UHFFFAOYSA-N 407.297 4.655 0 40 HJAB Cc1ccc(-n2nnn(CN(Cc3ccccc3)Cc3ccccc3)c2=S)cc1 58160882 JJMVOFBVBBULEG-UHFFFAOYSA-N 401.539 4.767 0 40 HJAB Clc1ccc(-c2csc3ncnc(N4CCC[C@@H](C5OCCO5)C4)c23)cc1 69222002 UTICNNOEDMGIAS-CQSZACIVSA-N 401.919 4.601 0 40 HJAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCCC[C@H]1c1ncc[nH]1 71849883 NFSNAZRHJJUWGB-INIZCTEOSA-N 412.490 4.538 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@H]1Cc3ccccc31)CC2 72296560 ZJKYVDDBQCZGTP-CVDCTZTESA-N 405.519 4.579 0 40 HJAB CCN(C)C[C@H]1CCN(C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 72303462 SGYKJAXCPUJTRV-JPYJTQIMSA-N 417.018 4.963 0 40 HJAB Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)c1 72358964 RGSNUISKWKEBCI-FQEVSTJZSA-N 410.521 4.882 0 40 HJAB O=C(CCc1ccccc1)N1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 72371269 LODXELMGXNOCLQ-IBGZPJMESA-N 423.944 4.633 0 40 HJAB Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 72377048 DEVHKHWHZWPEKS-HXUWFJFHSA-N 424.907 4.815 0 40 HJAB Cc1nc(CNS(=O)(=O)c2ccc(F)cc2Cl)oc1-c1ccc(Cl)cc1 79092353 LDJRYRQVZMERBI-UHFFFAOYSA-N 415.273 4.574 0 40 HJAB Cc1csc(SCC2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1 90608137 CYDNRRKBEOFCSD-UHFFFAOYSA-N 416.490 4.995 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(O)c(Cl)c2)S1 96117977 HUNUMULTIMQUBO-MLGOLLRUSA-N 407.923 4.552 0 40 HJAB CN(Cc1ccccn1)C(=O)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 96147754 DXGGDWJKDPZTJF-UHFFFAOYSA-N 410.433 4.817 0 40 HJAB N=c1c2c(ncn1Cc1ccco1)Oc1cc(O)ccc1[C@H]2c1ccccc1Cl 101350805 FJZFDMPHDBIXKC-LJQANCHMSA-N 405.841 4.649 0 40 HJAB C[C@@H](NC(=O)CSc1ccccc1C(=O)NCc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 104751145 IYGPFJVTDNCUNW-IWLVTHKOSA-N 422.594 4.650 0 40 HJAB COc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OC(F)F 106707550 CXEQWJODBZVYKJ-YVLHZVERSA-N 405.422 4.842 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 222440505 DFHPMZUJZCKVKO-OAQYLSRUSA-N 400.950 4.523 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 222856221 CZIIHVDBNOQPET-AUUYWEPGSA-N 403.906 4.843 0 40 HJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)OC)o1 222902798 BHUCNWFXJOFYPN-RTWAWAEBSA-N 421.522 4.511 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 222982937 BIOWIDHXWLHJPV-RTWAWAEBSA-N 421.522 4.812 0 40 HJAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCC2)c1C 223049534 KZXWQYDJKDGBJR-FGZHOGPDSA-N 412.603 4.624 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C)cc1 223058567 JZSISVGVDNMWMR-MOPGFXCFSA-N 414.977 4.913 0 40 HJAB Cc1cc(C)cc(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 224055234 HADQNAKBEKNYRK-UHFFFAOYSA-N 414.549 4.671 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 224190129 ZIBDOIAOOMWCRF-XMMPIXPASA-N 406.570 4.712 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 225137902 CQVYQRHBJOYFME-QGZVFWFLSA-N 418.990 4.766 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 225162514 QGXQLJAOCNDWFD-RBUKOAKNSA-N 414.977 4.831 0 40 HJAB CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2cccnc2)CC1 257200563 ADULIELZMXSMPK-UHFFFAOYSA-N 419.594 4.771 0 40 HJAB Fc1ccccc1Cc1cccc([C@@H]2CN(Cc3cccc4ncccc34)CCO2)n1 257294526 QUOBHGGPTDYLJI-SANMLTNESA-N 413.496 4.933 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(O)c(Br)c3)N21 260763062 IHYPZFSBNFQPAP-JLZZUVOBSA-N 404.333 4.529 0 40 HJAB CCOc1cc(Cl)c(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC 409245680 XLYSFWZKQSFPLB-CXUHLZMHSA-N 421.280 4.888 0 40 HJAB Cc1ccc(C(=O)N2CCCCN(C)C(=O)c3ccccc3OC[C@@H]2CC(C)C)cc1 643584666 TVTZUSIVYJCXJW-QFIPXVFZSA-N 422.569 4.797 0 40 HJAB CN(C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)[C@H]1CCCc2c1cnn2C 676676021 MPAWQTRJMYOHRI-HNNXBMFYSA-N 422.476 4.517 0 40 HJAB CCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(=O)c1ccc(C)cc1 1341171 AZEGFXFEIRGTQY-UHFFFAOYSA-N 419.481 4.692 0 40 HJAB COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 1380072 AOQBMRYKCADRGO-OAQYLSRUSA-N 424.522 4.797 0 40 HJAB CCCCCOC(=O)c1ccc(Nc2nc(C(=O)OCC)nc3ccccc23)cc1 1913359 YAGSXXCCSULKRI-UHFFFAOYSA-N 407.470 4.897 0 40 HJAB Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cccc(Cl)c1 2228926 MLVSBNHPXUNUIJ-UHFFFAOYSA-N 411.289 4.659 0 40 HJAB Cc1ccc(-c2nn(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)c3ccccc23)cc1 2262972 NZJPDTKQASCWGH-IBGZPJMESA-N 411.505 4.639 0 40 HJAB Cc1cc(N2C(=O)c3ccc(C(=O)c4ccccc4)cc3C2=O)ccc1Br 3009610 WWRZAPAJQRBEHN-UHFFFAOYSA-N 420.262 4.789 0 40 HJAB CCc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)cc1 4240549 HMAJGZYOIGMFAC-HSZRJFAPSA-N 417.509 4.684 0 40 HJAB CCn1c(S[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)nnc1-c1cccs1 4516563 GJVRTXVGQLONOW-PBHICJAKSA-N 412.584 4.701 0 40 HJAB COc1ccccc1[C@@H]1C[C@@H](c2ccc(C)cc2)N(C(=O)C(C)(C)C)c2ncnn21 4816951 PLCBKNKJQCBAOZ-PMACEKPBSA-N 404.514 4.709 0 40 HJAB COc1ccc(-c2nc3ccc(C)cn3c2NCc2ccc3c(c2)OCO3)cc1OC 4848456 RNEKVEPBJYPDAS-UHFFFAOYSA-N 417.465 4.668 0 40 HJAB CCOCCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)c1ccc(C)cc1 4861272 PZGDDQKFHHSRBK-UHFFFAOYSA-N 406.526 4.522 0 40 HJAB O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccc(F)cc2)N1CCc1ccccc1 5343821 CXLWOEKFLWICEC-XMMPIXPASA-N 413.452 4.709 0 40 HJAB Cc1nnc(SCC(=O)c2ccc(Br)s2)n1C1CCCCC1 5866284 XFLGCMVJVDFSOG-UHFFFAOYSA-N 400.367 4.891 0 40 HJAB Cc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)c(Cl)c1 6062000 MMJFEZSFGVVNCB-UHFFFAOYSA-N 402.661 4.516 0 40 HJAB CCc1cccc(C)c1NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 6152492 UJZURNGHJKXNOW-UHFFFAOYSA-N 400.478 4.726 0 40 HJAB CCCCOc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1OC 6528132 IXFNZRDMZVBWEM-UHFFFAOYSA-N 402.579 4.793 0 40 HJAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 6589865 RXTRJHVPHHTZSP-UHFFFAOYSA-N 408.523 4.821 0 40 HJAB COc1cc(CCC(=O)N2CCc3sccc3[C@H]2c2cccs2)cc(OC)c1 7948291 UGLAYUQNXTUFFS-QFIPXVFZSA-N 413.564 4.934 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CCOc1ccccc1)CC2 7988310 RXMUZEUCDJOVMP-AREMUKBSSA-N 417.505 4.647 0 40 HJAB C[C@@H](Sc1nnc(C2CC2)n1C)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 8424776 SOBPXNSMAHCMJY-LLVKDONJSA-N 409.540 4.511 0 40 HJAB Cc1nc(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c(C(N)=O)c(C)c1C 8704002 LWNRZBKTOSPQJP-HXUWFJFHSA-N 423.513 4.717 0 40 HJAB Cc1ccc(SCCNC(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)cc1 8748576 NSOBTOKXRVBBHZ-UHFFFAOYSA-N 410.587 4.779 0 40 HJAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2nc(-c3ccccn3)cs2)cc1 8898524 FXJMTQCRMUKGSF-UHFFFAOYSA-N 420.494 4.570 0 40 HJAB CC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3n2-c2ccccc2)s1 9244666 PMGRYTDZFIFUIU-UHFFFAOYSA-N 421.547 4.698 0 40 HJAB Cc1c(CC(=O)Nc2nccs2)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 9410517 VOFIIWZLNSZVGM-UHFFFAOYSA-N 424.522 4.767 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 9625179 MHVAFIVZLZAQDM-UHFFFAOYSA-N 400.891 4.930 0 40 HJAB Cc1ccn2c(=O)cc(CSc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)nc2c1 9746921 UFBWZUHBNWASIV-LBPRGKRZSA-N 424.551 4.532 0 40 HJAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1Cl 10009615 TZGFAGSZNWTRIH-UHFFFAOYSA-N 420.943 4.787 0 40 HJAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1ccc(-c2nc3ccccc3o2)cc1 10218328 MAQLXUHPAZBWBM-UHFFFAOYSA-N 420.490 4.687 0 40 HJAB CCc1cccc(CC)c1NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 10334174 YIPFPFYSSKDNAQ-UHFFFAOYSA-N 416.587 4.613 0 40 HJAB Cc1cc(OCC(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)ccc1Cl 12111459 QINWEKNALZDMDF-UHFFFAOYSA-N 401.850 4.503 0 40 HJAB COc1ccc([C@H](C)NC(=O)Cn2c(-c3cccs3)cc3cccnc32)cc1OC 12118272 OLUBHGUPBOWOMY-HNNXBMFYSA-N 421.522 4.659 0 40 HJAB Cc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)c2nc3n(c2n1)CCCCC3 12525256 FMJJLWFBHWZXCR-MRXNPFEDSA-N 406.555 4.997 0 40 HJAB CCN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(Br)s1 12609920 LPFQGQQLMOHXLA-UHFFFAOYSA-N 422.392 4.571 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 12767802 XHWLQSDUJINAHZ-JOCHJYFZSA-N 412.942 4.996 0 40 HJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCCN(C(C)C)C(C)C)cc2)o1 12860432 ZXWDLDQKCSQUOA-UHFFFAOYSA-N 406.530 4.561 0 40 HJAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 12887337 SPMBNCLWHOUPDI-MRXNPFEDSA-N 419.852 4.893 0 40 HJAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccc(OC(F)F)cc1 12921189 FBHQXYWRFYGQQT-IBGZPJMESA-N 420.506 4.997 0 40 HJAB O=C(O)Cc1csc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 12985897 KFISIHIZTHWJCE-HXUWFJFHSA-N 408.504 4.968 0 40 HJAB Cc1ccc2c(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)coc2c1C 13059952 KNPSNYUNUCEDSX-UHFFFAOYSA-N 416.443 4.960 0 40 HJAB CC1=Nc2ccccc2N=C(NC(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 14607981 ACTYIOQEPNYDKD-QFIPXVFZSA-N 415.424 4.904 0 40 HJAB CC(=O)c1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 14649549 ATNZSLFAWVNMNX-UHFFFAOYSA-N 404.304 4.967 0 40 HJAB COc1ccc(CN2C(=O)/C(=C\Nc3c(C)cccc3C)c3ccccc3C2=O)cc1 16806705 MKZUJQAJCQFAHZ-HAHDFKILSA-N 412.489 4.948 0 40 HJAB CN(C)C(=O)C1(Cc2ccccc2-c2ccncc2)CCN(Cc2ccccc2)CC1 19700209 QZFXMGBRBDKXJJ-UHFFFAOYSA-N 413.565 4.662 0 40 HJAB COc1ccc2[nH]c(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)c(C)c2c1 19714846 RGAIBHXMPNMDRM-FQEVSTJZSA-N 406.482 4.624 0 40 HJAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 20107024 IKMQHALMGBGQIW-UHFFFAOYSA-N 414.505 4.987 0 40 HJAB COCCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(Cl)s3)nc21 20604865 LRBQYURPEILHMA-UHFFFAOYSA-N 421.853 4.501 0 40 HJAB CCc1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 22273995 LSVAJNKSZPJHTH-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)CC1 27138648 ANXNCTJVTFSWMB-RMKNXTFCSA-N 417.336 4.562 0 40 HJAB COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)cc2C)cc1 28534631 FXEKXJZXIHRPPU-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB Cc1cccc(NC(=O)c2c(N)n(C(=O)c3ccc(F)cc3)c3ccccc23)c1C 28535228 TYEHUAOHNQVVJA-UHFFFAOYSA-N 401.441 4.920 0 40 HJAB O=C(/C=C/c1ccc(-c2ccccc2)s1)NC[C@@H](c1cccs1)N1CCOCC1 29844210 WKWHHJNVYVTOGH-BQYDLMEBSA-N 424.591 4.680 0 40 HJAB O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2)C1 32491783 IQHVYHOTJHTCFW-JOCHJYFZSA-N 416.496 4.911 0 40 HJAB O=C(Nc1nc2cc3c(cc2s1)OCCCO3)c1ccc(Br)cc1F 32768592 UGXDUDOOVPWGAW-UHFFFAOYSA-N 423.263 4.612 0 40 HJAB Cc1cccc(NC(=O)COc2cccc(-c3noc(-c4ccc(F)cc4)n3)c2)c1 33327323 DCYMJJKVKQUDBJ-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB CCc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)cc2)c1 38652849 YWOLWVFLCALWDF-UHFFFAOYSA-N 414.552 4.696 0 40 HJAB CCN(CC)Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 38756127 HLQJGHUKZBGIMZ-MRXNPFEDSA-N 402.560 4.665 0 40 HJAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(Cc1cccnc1)C[C@H]1CCCO1 59786848 PXRZOJFDKILXRF-NBGIEHNGSA-N 416.521 4.724 0 40 HJAB CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 61289174 LTGWWYMIBBQASZ-UHFFFAOYSA-N 412.534 4.814 0 40 HJAB Cc1ccc(-c2nc(Cn3ccn4nc(-c5ccc(F)cc5)cc4c3=O)c(C)o2)cc1 64977414 QDQJKXFYBWUEAQ-UHFFFAOYSA-N 414.440 4.622 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)c[nH]c23)cc1 71328176 PFQHWTQUXRCSIG-UHFFFAOYSA-N 420.469 4.697 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)cc1 72358796 WQJOQONYQWSFCY-HXUWFJFHSA-N 419.500 4.630 0 40 HJAB Cn1cc(CN2CCC[C@H]2c2cccc(Nc3ncccn3)n2)c2cc(F)ccc21 72375752 IYRWMIWPMHDKCN-NRFANRHFSA-N 402.477 4.583 0 40 HJAB C[C@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)c1ccc(C[C@@H]2CCCC2=O)cc1 95472210 KXACXPSPZJFNSK-LPHOPBHVSA-N 406.501 4.681 0 40 HJAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(OCc3ccc(Cl)cc3Cl)cc1)[C@H]1C=C[C@H]2C1 100390337 OIGGDHVREQYGHF-QCQDVHPSSA-N 414.288 4.884 0 40 HJAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2=C(C)C)[C@@H]1C(=O)O 169619997 KMGHPDNJIREZLH-OBQMCUGOSA-N 419.543 4.680 0 40 HJAB CCCCOc1ccc(NC(=O)NCc2ccc([C@H](O)c3ccco3)s2)cc1 206689070 DJGIMNYYWBSAKE-HXUWFJFHSA-N 400.500 4.923 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC)cc1 222674673 ZWMOXNUZAXKJMA-HNNXBMFYSA-N 421.368 4.652 0 40 HJAB CCOC(=O)c1c(NC(=O)CSCc2ccccc2F)sc2c1CCCC2 222701827 IPCOMJCXMGZDFX-UHFFFAOYSA-N 407.532 4.815 0 40 HJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 222775345 SBVPRIWFOPXJNK-OALUTQOASA-N 400.910 4.657 0 40 HJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 222940620 ONYAAUHPMLAEBE-FQEVSTJZSA-N 423.513 4.517 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 222982492 HNMMWVRLQPZBGP-FQEVSTJZSA-N 418.537 4.552 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 223327786 SFEDLHCDSZKIKV-FQEVSTJZSA-N 421.368 4.706 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccccc1 223609364 SIFBDYRPZZCMED-JOCHJYFZSA-N 412.599 4.811 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 223815313 NYHNPFPPTPNRIK-QHCPKHFHSA-N 412.549 4.709 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 224180102 YUWNFTBNFRHMJU-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 224227374 IYOACXJFUAUXMT-JOCHJYFZSA-N 412.599 4.729 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 224703231 VHVFEVSSRFHPOY-NRFANRHFSA-N 418.940 4.601 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 225035165 LQEHUUQSKMXXFL-MSOLQXFVSA-N 400.950 4.523 0 40 HJAB COc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)cc1OC 225367652 CIBWDLYHYBEWJF-UHFFFAOYSA-N 414.955 4.716 0 40 HJAB O=C(CCc1ccc(Cl)cc1Cl)NCc1nc(-c2cccc(Cl)c2)no1 225381216 VCASJTIGIOPJRM-UHFFFAOYSA-N 410.688 4.946 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 225614028 RGOHTHSHAZDKDI-KKSFZXQISA-N 418.940 4.744 0 40 HJAB Cc1nc(-c2cccc(NC(=O)c3cn4c5c(cccc5c3=O)CCC4)c2)cs1 226093655 RBIOTESFEGCQIW-UHFFFAOYSA-N 401.491 4.632 0 40 HJAB COC(=O)c1ccc(OCc2cccc(Br)c2)c(Br)c1 226326088 NLFZHLFMTALNGW-UHFFFAOYSA-N 400.066 4.577 0 40 HJAB CCCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccccc1 408562754 SAGIDFMEXSOPES-VHXPQNKSSA-N 410.539 4.947 0 40 HJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1C 408619018 HOLMEVRWAJDSGV-UHFFFAOYSA-N 412.536 4.905 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(OC(C)C)cc2)cc1 408630897 XQLUQMBOEVYWOI-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(C)ccc3C)n2)cc1 408693704 CDHUWGCVBBZCOV-UHFFFAOYSA-N 416.456 4.951 0 40 HJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)S2)cc1 408782228 GGJMGWPAMXPYPL-JPFXZVHCSA-N 420.490 4.807 0 40 HJAB Cc1ccc(-n2nnnc2Sc2cnc3cc(Cl)c(Cl)cc3n2)cc1C 1162004396 LYGLICPHZKKYAZ-UHFFFAOYSA-N 403.298 4.680 0 40 HJAB CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc(Cl)c1OC(C)=O 824649 YOHJJNHEMHUUDD-SXGWCWSVSA-N 420.248 4.662 0 40 HJAB COC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2cccc(C)c2C)c1C 871988 APYQVEFVGQLRCZ-UHFFFAOYSA-N 422.506 4.965 0 40 HJAB COC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CC[C@H](C(C)(C)C)C2 997374 IWCAIVZPALPMSQ-ZDUSSCGKSA-N 401.528 4.947 0 40 HJAB COc1cccc(C(=O)Oc2ccc3cc(-c4nc5ccccc5o4)c(=O)oc3c2)c1 1105767 XVEHDVRIRGORRT-UHFFFAOYSA-N 413.385 4.829 0 40 HJAB biogenic Cn1c(S(=O)(=O)Cc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1 1388803 CICRPLRRCDCMLF-UHFFFAOYSA-N 406.482 4.867 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1 2075806 IBTOSJSWABFMLO-GHTZIAJQSA-N 412.530 4.741 0 40 HJAB CC(C)N(C(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21)C(C)C 2634890 UJSVWOLMHYEGCY-UHFFFAOYSA-N 412.555 4.868 0 40 HJAB COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)c1 2707266 GEVQATVEGQLRGU-VXKWHMMOSA-N 414.490 4.561 0 40 HJAB CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)OC(C)(C)C 3346849 HDENPJOMHSTYJA-UHFFFAOYSA-N 422.601 4.634 0 40 HJAB CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 3485748 YCZKNJOWCHXQDS-UHFFFAOYSA-N 414.962 4.665 0 40 HJAB O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1ccc(Br)cc1 3655970 FKJGAADXGGNCDD-UHFFFAOYSA-N 423.266 4.867 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)c(C)c1 4690437 QEGBKBZAPBSIFJ-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB CCSc1nnc([C@H]2CCCN(C(=O)c3ccccc3-c3ccccc3)C2)n1C 5001510 SSZLQSZSRVGRGS-SFHVURJKSA-N 406.555 4.614 0 40 HJAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1c(Cl)cccc1C(F)(F)F 5401720 VMZZBWAJXSCGDB-UHFFFAOYSA-N 410.779 4.565 0 40 HJAB Cc1cc(C)cc(N2C[C@H](c3nc(-c4ccc(Br)cc4)no3)CC2=O)c1 7615844 YQFMPUKJACBPOK-OAHLLOKOSA-N 412.287 4.636 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 8339660 OGSJORLNXKARBW-OAQYLSRUSA-N 423.488 4.961 0 40 HJAB CCCNS(=O)(=O)c1ccc(Nc2cc(C)nc3cc(C(F)(F)F)ccc23)cc1 8870905 GJLNZGROGMAERZ-UHFFFAOYSA-N 423.460 4.994 0 40 HJAB Cc1sc2ncnc(NCc3nnc4c(Cl)cc(C(F)(F)F)cn34)c2c1C 9670536 FUATWGCTCBIBPP-UHFFFAOYSA-N 412.828 4.635 0 40 HJAB O=C(Nc1ccccc1F)c1nc(SCc2ccccc2)ncc1Br 11916299 YQJZNJBVYBBSFX-UHFFFAOYSA-N 418.291 4.923 0 40 HJAB COc1ccccc1-c1ccc(SCC(=O)Nc2cccc(C(F)(F)F)c2)nn1 12140473 DLBUNBGIPXKWRM-UHFFFAOYSA-N 419.428 4.902 0 40 HJAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 12177041 YSHAWWIHQVLWSL-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB C[C@H](Sc1nnc([C@@H](C)Oc2ccc(F)cc2)o1)C(=O)N(C)C1CCCCC1 12982373 PGHVFPZTMDBHRN-KGLIPLIRSA-N 407.511 4.620 0 40 HJAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 13684538 KAVAQCSZLMWLIX-UHFFFAOYSA-N 416.521 4.602 0 40 HJAB CCOC(=O)c1c(-c2cccs2)csc1N/C=C1\N=C(c2ccco2)OC1=O 13775514 BQUOVQBERQNCFI-XFXZXTDPSA-N 414.464 4.503 0 40 HJAB COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C1CCCCC1 13786344 CEBUNFUUKGLAPB-UHFFFAOYSA-N 404.510 4.959 0 40 HJAB CC(=O)N1CCc2cc(-c3nc(CC(=O)Nc4ccccc4C)sc3C)ccc21 14103074 YAFLZCKQGAEPGE-UHFFFAOYSA-N 405.523 4.517 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)Nc1cccc(Cl)c1 14153901 ZKUHFZKRIQBPQF-UHFFFAOYSA-N 419.865 4.924 0 40 HJAB C[C@@H](Sc1nnc(/C=C/c2ccc(F)cc2)[nH]1)C(=O)Nc1ccc2c(c1)CCC2 14898026 QWNHZPDRDUQCDV-WEKMIXOTSA-N 408.502 4.722 0 40 HJAB COc1ccc([C@H]2C(=O)N(c3ccccc3F)CC(=O)N2c2ccc(Cl)cc2)cc1 15412372 WVLCJKBIHFKTOC-QFIPXVFZSA-N 424.859 4.609 0 40 HJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCC(Cc2ccccc2)CC1 16695706 QRFPPVXVFVJYMV-UHFFFAOYSA-N 401.432 4.536 0 40 HJAB O=C(c1cc([C@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)no1)N1CCCC1 19292906 NHPOBINKBGFEDW-HNNXBMFYSA-N 408.329 4.597 0 40 HJAB COc1ccc(C(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1OC 19647192 ONJYCMDYVYKELF-GFCCVEGCSA-N 414.552 4.808 0 40 HJAB CCn1ncc(CN2CCC(c3cc(Cc4ccc(OC)cc4)cc(C)n3)CC2)c1C 19691590 MVAKNWWUAWNHTE-UHFFFAOYSA-N 418.585 4.894 0 40 HJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 20144349 XHVKYKFHBWIEGH-UHFFFAOYSA-N 415.873 4.735 0 40 HJAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC(C)C)cc4)cc3n2)cc1 20611264 PROOMWWYBDFGHQ-UHFFFAOYSA-N 416.481 4.777 0 40 HJAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCN(Cc2cccc3ccccc23)CC1 20720784 ZIVDXWXOKMLHEV-RUZDIDTESA-N 413.521 4.573 0 40 HJAB COc1cccc(-c2nc3cc(NC(=O)c4ccc(OC)cc4OC)ccc3o2)c1 21579093 XNWAWRVVEOWLAC-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB Fc1ccc(Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1Cl 25426122 UXNWBLWHFLLHPG-UHFFFAOYSA-N 418.925 4.548 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCC[C@H](C(F)(F)F)C1 35600954 XVCZYIFVWVQIPK-PXNSSMCTSA-N 406.448 4.958 0 40 HJAB COCc1nn2c(C)c(C(=O)Nc3ccccc3Cl)cnc2c1-c1ccccc1 38829713 OOHNKMXFKVLMAA-UHFFFAOYSA-N 406.873 4.757 0 40 HJAB O=C(c1cccc(NS(=O)(=O)c2cccs2)c1)N1CCC[C@H]1c1ccsc1 40154677 LTNVARRZQCIOAB-KRWDZBQOSA-N 418.565 4.588 0 40 HJAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@@H]2C(=O)Nc1cccc(Cl)c1 49550263 JWBFQYZXVODIAE-QGZVFWFLSA-N 410.861 4.521 0 40 HJAB CCCOc1ccc(CNC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 57477205 YKOHIAJYMCTIQP-UHFFFAOYSA-N 414.303 4.558 0 40 HJAB CCC[C@@H](NC(=O)NCC(=O)Nc1ccc(Br)cc1C)c1cccs1 58223053 MZVKRUIPVTYBSY-OAHLLOKOSA-N 424.364 4.598 0 40 HJAB O=C(c1cnc2ccc(F)cc2c1NCc1ccc(Cl)cc1)N1CCSCC1 72328504 OVUVODVYYYSRRO-UHFFFAOYSA-N 415.921 4.828 0 40 HJAB COc1ccccc1CCC(=O)N1CCC[C@@H]1c1cccc(Nc2nc(C)cs2)n1 72375262 LXBDEVUDUKZOPS-LJQANCHMSA-N 422.554 4.895 0 40 HJAB O=C(CCn1c(-c2ccccc2)cc2ccccc21)NC[C@H]1CC[C@H](C(=O)O)CC1 101591750 HUIALZQIOPPUPQ-PUZFROQSSA-N 404.510 4.706 0 40 HJAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl 222752831 QWSJYVTWQBJIIW-HNNXBMFYSA-N 407.341 4.827 0 40 HJAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 222881424 HBZWZDVUZDTAOW-XMMPIXPASA-N 416.521 4.975 0 40 HJAB Cc1ccccc1CN(C(=O)CCCOc1ccccc1)[C@H](C)C(=O)NC1CCCC1 223778714 XJUOKJDKWUASQE-OAQYLSRUSA-N 422.569 4.630 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 223829461 WCJIOBGKAPRWFC-SFHVURJKSA-N 412.961 4.667 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1C 223929577 FRJTZSOCVYXMKM-QFIPXVFZSA-N 408.523 4.677 0 40 HJAB Cc1cc(C(=O)N[C@H](C)c2ccccc2C)ccc1NS(=O)(=O)c1ccccc1 224000037 ILMHSHSFAHCBQM-GOSISDBHSA-N 408.523 4.595 0 40 HJAB Cc1cc(C)cc(OCCNC(=O)COc2ccc(C(C)C)cc2Br)c1 224084902 UHGQTIHCBONGSX-UHFFFAOYSA-N 420.347 4.763 0 40 HJAB Cc1ccccc1CN(C(=O)CCc1ccccc1Cl)[C@H](C)C(=O)NC(C)C 225493292 USTYDKSEJVAZLD-GOSISDBHSA-N 400.950 4.523 0 40 HJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(SCc2ccccc2)s1 225500609 YGCLTWZAJMHVTM-OAHLLOKOSA-N 403.504 4.766 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 225547171 ZTKCQURAEYUDDN-GGAORHGYSA-N 424.585 4.713 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(Cc4cccnc4)c3C)N21 260759071 DZBPUGZUUOGGIB-OIBXWCBGSA-N 417.582 4.923 0 40 HJAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)c(Cl)cc1O 260788379 ZLXDCLUODYGBPT-YXKWSERDSA-N 403.935 4.819 0 40 HJAB CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O 408665349 OWLGQRYWIYQDRK-NRFANRHFSA-N 415.489 4.635 0 40 HJAB C[C@H](NC(=O)N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccc(-c2ccccc2)cc1 592340809 YOZCCUWYNKJHTC-AVRDEDQJSA-N 407.558 4.751 0 40 HJAB Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)nn1-c1ccc(Cl)cc1 1521836893 HXSAOZVFLDEEQQ-UHFFFAOYSA-N 413.865 4.744 0 40 HJAB O=C(O[C]1CN2CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1 1560410920 YMUUCZUYQXSYHD-UHFFFAOYSA-N 407.387 4.644 0 40 HJAB Cc1cccnc1CN1CCC2(CC1)C[C@H](Cc1ccc(F)cc1)N(CC(C)C)C2=O 1615158993 SUGLIGSPGUTEAO-QHCPKHFHSA-N 423.576 4.611 0 40 HJAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(N2CCOCC2)cc1 1779490 CBUJNKRFGFWGRS-UHFFFAOYSA-N 409.313 4.628 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 3250650 KDBUWTNXNFVYAY-UHFFFAOYSA-N 423.896 4.971 0 40 HJAB O=C(COC(=O)c1ccccc1C(F)(F)F)NC(c1ccccc1)c1ccccc1 3313055 MRQXICSCNPLIKT-UHFFFAOYSA-N 413.395 4.768 0 40 HJAB Cc1ccc(N2C(=O)N(Cc3ccccc3C)c3ccccc3S2(=O)=O)cc1C 4316791 MJCHRDQGKGFPEG-UHFFFAOYSA-N 406.507 4.947 0 40 HJAB Cc1nc2ccccc2n1C[C@@H](O)COc1ccc2cc(Br)ccc2c1 4677973 KNSZPLMQVDISBW-GOSISDBHSA-N 411.299 4.700 0 40 HJAB O=C(Nc1ccccc1C(=O)NCc1ccco1)/C(=C/c1ccco1)c1ccccc1 4698916 PQNILYNSHMCJOV-CJLVFECKSA-N 412.445 4.982 0 40 HJAB Cc1ccc2oc(-c3cc(NC(=O)c4ccc5c(c4)OCCO5)cc(C)c3O)nc2c1 4736801 WJXNLMPPYSNVBG-UHFFFAOYSA-N 416.433 4.841 0 40 HJAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(Cc1ccco1)C(=O)Cc1cccs1 4848004 QDXRXWFBPNCQHB-QHCPKHFHSA-N 422.550 4.713 0 40 HJAB COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCc1ccc(Cl)cc1 4973816 OWLLUSHKLBFMRT-UHFFFAOYSA-N 409.873 4.709 0 40 HJAB CCOC(=O)c1ccccc1NCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 5250295 UDHNGBQSGKYOQK-GZTJUZNOSA-N 416.886 4.623 0 40 HJAB CCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccccc3Cl)=NN12 5298328 WUKORJGLRNEBPW-FQEVSTJZSA-N 411.933 4.704 0 40 HJAB Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1 5626077 FPFAZWFPKMXIPR-UHFFFAOYSA-N 405.523 4.593 0 40 HJAB aggregator CCOC(=O)c1c(N2C(=O)c3cccc4cccc(c34)C2=O)sc2c1CCCC2 6327513 INEJSXAOSYVPTC-UHFFFAOYSA-N 405.475 4.757 0 40 HJAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(F)c1 7073580 ZXJSOURTELJUEH-VTGBELTLSA-N 402.267 4.694 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(F)cc1 8215993 GHCMRWROARYPEN-DEOSSOPVSA-N 415.468 4.511 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 8473822 MFQYZKHIYDUDAK-OAHLLOKOSA-N 411.914 4.764 0 40 HJAB Cc1c(NC(=S)Nc2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C 8490498 MNASVUPUZKQMIY-UHFFFAOYSA-N 407.326 4.600 0 40 HJAB COc1cccc(NC(=O)Nc2nnc(COc3ccc(Cl)c(C)c3)s2)c1 8743706 LIUBNGFNFRFLOL-UHFFFAOYSA-N 404.879 4.732 0 40 HJAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N1c2ccccc2C[C@@H]1C 8965968 ZXFROJWNSCFNSS-GJZGRUSLSA-N 424.595 4.724 0 40 HJAB CCc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(F)cc3)c3ccccn23)cc1 9317023 WLDDKJKQHDBKHO-UHFFFAOYSA-N 401.441 4.706 0 40 HJAB Cn1ccnc1[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(F)cc1 9377763 FOSKVIUILMFLPQ-HSZRJFAPSA-N 413.452 4.703 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc12 9428384 LWGQZJYYCUEDKM-GVAUOCQISA-N 420.468 4.891 0 40 HJAB O=C(COC(=O)CCCSc1nc2ccccc2s1)Nc1cc(F)ccc1F 9466393 XAPUEOGHPXQMQE-UHFFFAOYSA-N 422.478 4.629 0 40 HJAB Cc1sc2nc([C@@H](C)Sc3nnc(C4CC4)n3-c3ccccc3)[nH]c(=O)c2c1C 9468918 FCDVZOGZQWUOHZ-CYBMUJFWSA-N 423.567 4.913 0 40 HJAB CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccccc3)c3ccc(C)cc3c2=O)cc1 9855753 IKCFABJSXMJLFW-UHFFFAOYSA-N 424.500 4.742 0 40 HJAB CC1=CC(C)(C)N(C(=O)CSc2nnc(-c3ccncc3)o2)c2c(C)cccc21 9938125 CWIAPVCHZSUFQE-UHFFFAOYSA-N 406.511 4.761 0 40 HJAB Cc1noc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2)c1C 12182242 YCJIZKMGNSBVAL-IFXJQAMLSA-N 404.514 4.811 0 40 HJAB O=S(=O)(c1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl 12361516 MGFGCBGISQWCOP-LJQANCHMSA-N 407.322 4.589 0 40 HJAB Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](C)CCc4ccco4)c(C)c3cc2c1C 12896707 FAIAAQUVIRLSKU-ZDUSSCGKSA-N 407.466 4.737 0 40 HJAB biogenic C[C@@H](OC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)C(=O)N1CCCC1 14679511 PYMBXJMTFXWXPX-CQSZACIVSA-N 406.404 4.617 0 40 HJAB O=C1c2ccccc2-c2c[nH]c3c(Oc4ccccc4)c(N4CCOCC4)c(O)c1c23 15080128 CXHBFUZIGMQPIL-UHFFFAOYSA-N 412.445 4.714 0 40 HJAB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)NCCc3ccccc3)s2)c1C 15816972 NAYVFLQXKXNJCY-INIZCTEOSA-N 412.584 4.738 0 40 HJAB Cc1cc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(C)o1 16106974 CCKWYBKVDIGKOZ-UHFFFAOYSA-N 410.464 4.722 0 40 HJAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2Cc2ccc(F)cc2)c1 19690450 JTPSVZMECZYTQM-QFIPXVFZSA-N 406.505 4.694 0 40 HJAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccnc3ccccc23)C1 19702128 DQNZFHOJBKTQII-KRWDZBQOSA-N 416.550 4.536 0 40 HJAB O=C(c1cccc2ccccc12)N1CCN(Cc2ccccc2Br)CC1 19889312 AIUDPPZYOHSHDM-UHFFFAOYSA-N 409.327 4.560 0 40 HJAB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 20802587 OACLWWPEJSFGCW-FCHUYYIVSA-N 419.525 4.506 0 40 HJAB CN1CCN(c2ccc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)cc2)CC1 23134452 XSVJPGFYYXUKMC-XMMPIXPASA-N 417.578 4.911 0 40 HJAB Cc1ccc(NC(=O)CSC(C)C)cc1S(=O)(=O)Nc1ccccc1Cl 24546974 LSPQYAUEGYUTGN-UHFFFAOYSA-N 412.964 4.529 0 40 HJAB Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4ccc(Cl)cc4)C3=O)co2)c(C)c1 24758601 DQHBPQCPKDRBRK-JOCHJYFZSA-N 409.873 4.579 0 40 HJAB Cc1cc(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c(C)n1-c1nccs1 25005561 GDMOLXRTVHEROO-UHFFFAOYSA-N 404.417 4.802 0 40 HJAB CCCC(=O)NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 27842047 LKPCPNCJNPKPOV-UHFFFAOYSA-N 418.316 4.870 0 40 HJAB CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3C)n2)cc1 28727996 MZLSMUNOUPERLL-UHFFFAOYSA-N 411.527 4.649 0 40 HJAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)C1 30754271 DEWYIADKEMBQMB-HUUCEWRRSA-N 403.419 4.711 0 40 HJAB COc1ccccc1/C=C1\SC(=O)N(Cc2cccc(Br)c2)C1=O 33382431 IVLPMRIBEDHKSA-YBEGLDIGSA-N 404.285 4.694 0 40 HJAB CCNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2 33504066 PHMPILLNBBCDKX-VKAVYKQESA-N 418.468 4.544 0 40 HJAB COc1ccc(-c2cnn3c2N=C(O)C[C@@H]3C(=O)Nc2ccc(F)c(Cl)c2)cc1 35684714 UKJNRZRUKCPECT-QGZVFWFLSA-N 414.824 4.523 0 40 HJAB O=C(CCCn1c(=O)oc2ccccc21)N(CCc1ccccc1)Cc1ccccc1 36726004 DQGJCZMFERAWKZ-UHFFFAOYSA-N 414.505 4.646 0 40 HJAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc(N2CCCS2(=O)=O)cc1 40033932 KGXHTFVPYYWRHO-UHFFFAOYSA-N 424.547 4.630 0 40 HJAB COc1ccc(OC)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1 40128548 HDWCUBNORACOAH-UHFFFAOYSA-N 408.502 4.642 0 40 HJAB C[C@H]1C[C@@H](C)n2nccc2N1C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 40146276 CWQSBZRIVHMVKS-QWHCGFSZSA-N 420.460 4.954 0 40 HJAB COc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2cccc(Cl)c2)cc1 44087278 HESUSRAITKEBEQ-UHFFFAOYSA-N 415.946 4.818 0 40 HJAB CC1(C)C[C@H](NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c2ccccc2O1 44918356 LLMPTVIJSMXOAB-NRFANRHFSA-N 412.961 4.971 0 40 HJAB Cc1cccc(CSc2nnc3n(Cc4cccs4)c(=O)c4sccc4n23)c1 45924497 YBPBMIJJLPFRBS-UHFFFAOYSA-N 424.576 4.816 0 40 HJAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2c(c1)[C@@H]1CCCCC[C@H]1N2 57841206 QLELVRFKHQWRAB-FXAWDEMLSA-N 416.525 4.726 0 40 HJAB C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)CCCc3nc4ccccc4[nH]3)cc2)C1 57985870 NLPIPHDFOBYAIZ-PMACEKPBSA-N 418.585 4.680 0 40 HJAB CCOC(=O)c1c(NC(=O)CSCc2ccc(F)cc2)sc2c1CCCC2 59170342 POEIDXADRFIRJW-UHFFFAOYSA-N 407.532 4.815 0 40 HJAB CN(C)c1ccc(-n2c(SCCc3ccccc3)nc3ccccc3c2=O)cc1 67259046 IDHKHQIDRYXBDP-UHFFFAOYSA-N 401.535 4.787 0 40 HJAB Cc1csc(N2CCCN(Cc3nnc(-c4ccc(Cl)cc4Cl)o3)CC2)n1 71824893 MIRMXXMOOGZRFS-UHFFFAOYSA-N 424.357 4.521 0 40 HJAB CCc1nnc(Nc2cccc([C@@H]3CCCN(Cc4cccc(OC)c4)C3)n2)s1 72375967 ZVJCXTZJPVXVES-QGZVFWFLSA-N 409.559 4.627 0 40 HJAB C[C@@H](c1cccnc1)N1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 84661104 DCIJUIWCAIUXQV-KRWDZBQOSA-N 421.928 4.627 0 40 HJAB COc1ccc(N/C=C(\c2ccc(Cl)nc2)S(=O)(=O)c2ccccc2)cc1 100363542 BGGIUMOBTSMCSD-XMHGGMMESA-N 400.887 4.628 0 40 HJAB Cc1ccc(N[C@H]2SC=C(c3ccccc3)N2CCCN2CCOCC2)c(C)c1 102605321 GXACZYQCDNNLBJ-XMMPIXPASA-N 409.599 4.769 0 40 HJAB Cc1nnc(S/C(=C\c2cccc(OCc3ccccc3Cl)c2)C(=O)O)o1 211530147 NMQQRBSECPFSTA-YVLHZVERSA-N 402.859 4.828 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCSc1ccc(Cl)cc1 222439181 XJXPBXXZYQKHIN-QGZVFWFLSA-N 418.990 4.684 0 40 HJAB CCCOc1cc2c(cc1[C@@H]1[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N31)OCO2 222650929 XPSDZZPDCXJWHL-XMDBHEJHSA-N 411.527 4.579 0 40 HJAB Cc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224198424 QZTRNBPYHOKTEA-NRFANRHFSA-N 424.585 4.687 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 224580033 TUCMBZPBZUMYRZ-DEOSSOPVSA-N 424.585 4.734 0 40 HJAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COCc1ccccc1 224751958 CLFSLROFQYLXMV-UHFFFAOYSA-N 405.494 4.741 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)N[C@H](C)CC)cc1 225547305 LBZXXTWLPAVTSG-YKSBVNFPSA-N 424.585 4.658 0 40 HJAB Cc1cccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)C)c1 225650582 MPQJEDNEVKYURM-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)N1CCC(Oc2nc3ccccc3o2)CC1 225680447 HCOWOONOZRKSPH-UHFFFAOYSA-N 421.280 4.583 0 40 HJAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](CC)c3ccc(C)c(C)c3)ccc21 225733835 PIYDUELHDYDCHE-SFHVURJKSA-N 418.584 4.519 0 40 HJAB CC[C@H](NS(=O)(=O)c1cc(Br)ccc1OC)c1ccc(C)cc1C 225839486 BMKPOYQWALPVMI-INIZCTEOSA-N 412.349 4.504 0 40 HJAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(-n5ccnc5C)cc4)OCC[C@@]31C2 257226590 FLGWSNUOCXMSOD-GNCQFOQZSA-N 407.558 4.589 0 40 HJAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(-n5cccn5)cc4)OCC[C@@]31C2 257238059 HJKDAJKFIMVAMD-VXOLBTITSA-N 407.558 4.527 0 40 HJAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc2ccccc2c1 409044525 VRMMFPSGMPTKML-YBFXNURJSA-N 422.868 4.651 0 40 HJAB COc1cc2c(cc1F)CC[C@H]2NC(=O)Cc1sc(C)nc1-c1cccs1 669893933 ROMYPYUHWIIJGB-OAHLLOKOSA-N 402.516 4.674 0 40 HJAB CCCCCc1cc(=O)oc2c(C(=O)[C@H](C)CC)c3c(c(O)c12)C[C@H](O)C(C)(C)O3 2332242469 ULRVFRRDAPOETF-CJNGLKHVSA-N 416.514 4.535 0 40 HJAB NC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CCCC2 671350 CENWQDYEXZHSEU-UHFFFAOYSA-N 404.491 4.602 0 40 HJAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1)OCc1ccccc1 871680 QSWFNHDSWMFZHJ-HSZRJFAPSA-N 413.477 4.644 0 40 HJAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccc(OCC)cc2cc1C 875738 ABUYFCBTQMMBSL-UHFFFAOYSA-N 424.522 4.849 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 918702 BSYFURNMUXGBOZ-IAISJRAMSA-N 416.403 4.728 0 40 HJAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Br)cc1 984321 CPHZXQGBGZAIHU-KRWDZBQOSA-N 422.120 4.909 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccn3)n2-c2ccccc2)c1 997551 FYXNUWXMMJTUOB-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB O=C(O)c1ccccc1CSc1nc2ccccc2n1Cc1ccccc1C(=O)O 1428387 VEHAWJOIDCNYLT-UHFFFAOYSA-N 418.474 4.773 0 40 HJAB COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1 1443356 SAJAIGJMHDAQCV-XMMPIXPASA-N 418.493 4.892 0 40 HJAB O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1cccc(Cl)c1Cl 2514751 OKDXCZDYWAZOHF-UHFFFAOYSA-N 406.309 4.563 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 2654814 VWHGTVFZXSIRNC-UHFFFAOYSA-N 408.845 4.550 0 40 HJAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 2767824 OENBRSLSVSGSTI-JKSUJKDBSA-N 415.511 4.648 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 3548707 DRZANMPSJQQORW-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB C[C@H](Sc1nnc(COc2ccc3ccccc3c2)n1C)C(=O)Nc1ccccc1 4130197 GSKRKQTYUCDSIS-INIZCTEOSA-N 418.522 4.667 0 40 HJAB CNC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CC[C@H](C)C2 4326469 YUVYJKDHFOKEBW-ZETCQYMHSA-N 403.356 4.853 0 40 HJAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CCCc3ccccc3)c3ccccc32)c(C)c1 4784363 ZDJBSSDJMQUDBS-HHHXNRCGSA-N 413.517 4.743 0 40 HJAB Cc1ccc(C)c(-n2cnnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)c1 5894165 HVUQKKWQWRQDLY-UHFFFAOYSA-N 406.433 4.634 0 40 HJAB COc1cc(CCC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc(OC)c1OC 6308781 WVOGGITXMBIVDJ-UHFFFAOYSA-N 412.313 4.610 0 40 HJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 6330212 LZFCEBBSHYHTCY-UHFFFAOYSA-N 414.431 4.872 0 40 HJAB CCC(Nc1ccc(Nc2ccccc2)cc1)=C1C(=O)N(CC)C(=S)N(CC)C1=O 6585243 TUVMHRWEHNQGLE-UHFFFAOYSA-N 422.554 4.502 0 40 HJAB CCOc1ccc(CN2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 6595703 AVGUOYKVSMTJDN-RUZDIDTESA-N 420.597 4.779 0 40 HJAB CCCCOc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 6635655 TVIWMCBXAJYONZ-UHFFFAOYSA-N 414.461 4.918 0 40 HJAB Cc1ccc(-n2c(SCc3nc(-c4ccccc4)no3)nnc2N2CCCC2)cc1 7256915 MFHMCHQEGOVRNS-UHFFFAOYSA-N 418.526 4.518 0 40 HJAB C[C@@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21 7546817 RMTHBIHPXXUYLU-AUSIDOKSSA-N 409.533 4.867 0 40 HJAB CC(C)[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 7814409 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11692155 NUUDPZUZIVZBSA-UHFFFAOYSA-N 418.493 4.915 0 40 HJAB O=C(Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)NCCc1cccs1 11865893 FWFBTUUCBIKVOK-UHFFFAOYSA-N 412.458 4.672 0 40 HJAB NC(=O)c1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCC2 12651168 LHNAXNQMORAXEW-PKNBQFBNSA-N 412.898 4.901 0 40 HJAB O=C(CCc1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 12770517 BAYXTXPOEVXXPW-UHFFFAOYSA-N 414.336 4.823 0 40 HJAB CC(C)CN(CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1)C1CC1 12898466 JBBHZYKFIBWNAV-FQEVSTJZSA-N 405.498 4.824 0 40 HJAB CC(C)[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(=O)N[C@H]1CCCc2ccccc21 13629401 BZZNNEANKNPIGA-VXNXHJTFSA-N 419.569 4.582 0 40 HJAB C[C@@H]1CCc2c(sc3ncnc(N4CCC[C@@H](c5nnc6n5CCCCC6)C4)c23)C1 14017341 QUOWRXJZZDSSFE-HZPDHXFCSA-N 422.602 4.518 0 40 HJAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(C(C)(C)C)cc3)n2)cc1OC 14247408 BKGAVNMQJRILID-UHFFFAOYSA-N 409.486 4.623 0 40 HJAB CC(=O)N1N=C(c2ccc(C)cc2)Sc2c1nc(-c1ccc(Cl)cc1)n2C(C)=O 16777388 BFOSZNNMEPYMDH-UHFFFAOYSA-N 424.913 4.992 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 17082002 MCDQHWUQOIABQT-UHFFFAOYSA-N 400.507 4.974 0 40 HJAB COc1cccc([C@H]2CN(C(=O)C(C)(C)C)[C@@H]3CCN(Cc4cccs4)C[C@H]23)c1 19081660 PIVCBYUEJJWUMR-YPAWHYETSA-N 412.599 4.619 0 40 HJAB COc1ccccc1C1=NO[C@H](CC2(C(=O)Nc3ccc(C)c(C)c3)CCOCC2)C1 19214048 JDECCKVWFOGOFC-FQEVSTJZSA-N 422.525 4.631 0 40 HJAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)c4cccnc4)C3)noc2n1 19452064 IWPONJJEFCFEEL-CQSZACIVSA-N 418.419 4.780 0 40 HJAB CCCC(=O)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 19501166 KVEWMXXOBPLUQD-UHFFFAOYSA-N 401.514 4.788 0 40 HJAB Cc1cc(OCC(=O)N2CCC[C@@H]2c2nnc(-c3ccsc3)o2)ccc1Cl 19570718 HFTKACNIIIWXPW-MRXNPFEDSA-N 403.891 4.502 0 40 HJAB Cc1nn(C)c2nc(C3CCN(C(=O)C4(c5cccc(F)c5)CCCC4)CC3)ccc12 19744711 XQBYXZPTFKKXKC-UHFFFAOYSA-N 420.532 4.634 0 40 HJAB CC(=O)Nc1s/c(=N\c2ccccc2)n(C[C@@H]2CCCO2)c1-c1ccc(C)cc1 19898434 FQNHWKWDRRPJAR-ZPKJPUMHSA-N 407.539 4.895 0 40 HJAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 20144672 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CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc21 223115999 CKFFLIYACPDDNN-UHFFFAOYSA-N 419.934 4.628 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 224020116 DUHBAEGIKPEOBH-KRWDZBQOSA-N 400.950 4.605 0 40 HJAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1 224167064 CJFPQZBCNJFQCA-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB Cc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 224228459 DKBKWODABYPCHC-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)s2)cc1 224727082 UVHUXBYOZKLUNR-SFHVURJKSA-N 410.518 4.503 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(CC)cc1 225276657 VJWMZYBHXUJVGH-HSZRJFAPSA-N 412.549 4.654 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)cc1 225551241 ISVHYLHJBFGDHV-GOSISDBHSA-N 414.977 4.777 0 40 HJAB CCOC(=O)c1cc(NC(=S)N[C@@H](C)COc2ccccc2C)ccc1Cl 225637804 MNVOTESYZDFTEB-AWEZNQCLSA-N 406.935 4.579 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 225641637 AGHXWAVLVRHSST-GCJKJVERSA-N 414.977 4.913 0 40 HJAB O=C(O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2Cl)o1 226352928 YBMOUIJNWIDSAI-UHFFFAOYSA-N 412.250 4.752 0 40 HJAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257338932 YZMFPZKUTQEBGU-LJQANCHMSA-N 406.873 4.772 0 40 HJAB CO[C@]1(C(=O)Nc2ccc(OCCCN3CCC[C@H](C)C3)cc2)CCC[C@@H](C)C1 260814553 KNHXFUCDABLGTH-JXALWOEJSA-N 402.579 4.721 0 40 HJAB CCCOc1ccc(N2C[C@@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)cc1 408706497 AHBNYJRDTUYLFX-VIQWUECVSA-N 400.563 4.549 0 40 HJAB CCn1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(C)cc3)C2=O)c2ccccc21 409146123 JRMKQDOMYXKVGL-MTJSOVHGSA-N 404.491 4.889 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(F)c2C)nnc1-c1ccccc1Cl 409170361 UZURKKJJTBNBBH-UHFFFAOYSA-N 404.898 4.797 0 40 HJAB COc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c(C)c1 919405 CFHKMMUPTWZBEA-YOEHRIQHSA-N 420.391 4.706 0 40 HJAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2OCC)c1 1006504 UXPSMTPQYHBLKT-UHFFFAOYSA-N 404.466 4.989 0 40 HJAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)cc(Cl)c1 1777332 PWVXBRGDXDNFCF-UHFFFAOYSA-N 405.281 4.789 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(Cl)c1)N(C[C@@H]1CCCO1)C3=O 2421838 SGSOBPFEIVZVFE-UWJYYQICSA-N 423.896 4.787 0 40 HJAB CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2431757 GZUCGLBYQLLTOL-GCJKJVERSA-N 403.478 4.641 0 40 HJAB COc1cc2c(cc1NC(=O)COc1ncnc3sccc13)oc1ccccc12 2623094 WEXVDTSFUAVKSU-UHFFFAOYSA-N 405.435 4.617 0 40 HJAB CSc1ccccc1NC(=O)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 2725338 PMHGEJVMPFFRNC-MRXNPFEDSA-N 404.797 4.871 0 40 HJAB Cc1ccc(S(=O)(=O)N2CN(c3ccccc3C)c3nc4ccccc4nc32)cc1 3164411 OSTAUMHFIYIJEB-UHFFFAOYSA-N 416.506 4.551 0 40 HJAB CCOc1ccc(N[C@H](NC(=O)c2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 3181090 VLZRVXLTFMZROJ-QGZVFWFLSA-N 401.721 4.932 0 40 HJAB CCOc1ccc2c(c1)SC1=N[C@](c3ccc(OC)cc3)(C(F)(F)F)NC(=O)N12 3198163 AVPHZJNRVJFSMF-GOSISDBHSA-N 423.416 4.501 0 40 HJAB CCC1=C(C[C@H]2NCCc3cc(OC)c(OC)cc32)C[C@H]2c3ccccc3CCN2C1 3954406 GAUYNTGXYGJOSH-RPBOFIJWSA-N 418.581 4.990 0 40 HJAB in-vitro CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4Cc5c(c(C)nn5C(C)=O)[C@@]4(C)CC[C@H]32)C1 4026047 DLCTVKXJNPOKCT-SBATXSGNSA-N 412.574 4.840 0 40 HJAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccc(C(F)(F)F)c1 4033153 AJCPTRLOSXLZIK-UHFFFAOYSA-N 412.371 4.676 0 40 HJAB COc1ccc(Nc2nnc(SCC(=O)N(c3ccccc3)C(C)C)s2)cc1 4838870 JXTFBKVVYUGGCH-UHFFFAOYSA-N 414.556 4.824 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c1 5137196 BELPFNHHRBRPST-UHFFFAOYSA-N 420.987 4.910 0 40 HJAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)NCCC3=CCCCC3)o2)cc1 5170060 JLJNXZAFGPRTJA-HNNXBMFYSA-N 401.532 4.623 0 40 HJAB C[C@H](c1nnc(SCCOc2ccc(F)cc2)n1-c1ccc(Cl)cc1)N(C)C 5280897 OJSBZTRWZUPNAR-CQSZACIVSA-N 420.941 4.854 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 5415648 VCVYTUSEDNFFPK-QZTJIDSGSA-N 402.494 4.848 0 40 HJAB CCOc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1OCC 5475832 QNHHQDYJPSSDDC-WJDWOHSUSA-N 416.271 4.591 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 6217091 GQDUPAZIISHOPO-MRXNPFEDSA-N 416.930 4.849 0 40 HJAB CC(C)CC(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 6357831 KFWLRDFQCWMNJH-UHFFFAOYSA-N 414.914 4.973 0 40 HJAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccco2)n(C[C@H]2CCCO2)c1C 6665602 LDHKPJXOSYYCPF-MRXNPFEDSA-N 404.470 4.673 0 40 HJAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1c2c(nc3ccccc13)CCC2 6945736 BSTCQCCLGTXYLH-UHFFFAOYSA-N 405.841 4.784 0 40 HJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N[C@@H](Cc1ccccc1)c1ccccc1 7440053 NBNVFXWVMCFVLF-NRFANRHFSA-N 414.534 4.664 0 40 HJAB COc1cc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)ccc1OC(F)F 7781085 HTHXSJDFJAREOR-FQEVSTJZSA-N 421.440 4.585 0 40 HJAB COc1cc(C)c(NC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)cc1OC 8769429 MMNFOAUTNRNINZ-ZHACJKMWSA-N 409.461 4.606 0 40 HJAB COc1cc(CN(C)C(=O)Cc2c[nH]c3ccccc23)ccc1OCc1ccccc1 8770866 PWFPOLPVVVNDTH-UHFFFAOYSA-N 414.505 4.957 0 40 HJAB CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 8840813 NMIRSNUEUDHHQY-UHFFFAOYSA-N 414.571 4.720 0 40 HJAB C[C@H]1C[C@H](C)CN(C(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)C1 9071284 JOJPEVHSMWWANQ-PMACEKPBSA-N 403.526 4.629 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCCCC3)ccc2C)cc1 10314844 DLGFWCZULOMDLX-UHFFFAOYSA-N 400.544 4.557 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(CN2CCCC2)cc1 10691213 INFWMYPISVOYKQ-UHFFFAOYSA-N 405.542 4.551 0 40 HJAB Fc1ccc(F)c(-c2nnc3sc(-c4ccc(F)c(Br)c4)nn23)c1 12388831 HWNOWPRCWYUMRY-UHFFFAOYSA-N 411.206 4.700 0 40 HJAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1Cc1ccc(F)cc1 12539690 JAQWBXRVEJPWKG-LJQANCHMSA-N 417.459 4.879 0 40 HJAB COc1ccc(-c2noc(CCCCCNC(=O)C(C)(C)c3ccccc3)n2)cc1 12754365 XBKFZJPMXPHDJT-UHFFFAOYSA-N 407.514 4.552 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)Oc2cccc(-c3nnc4n3CCCCC4)c2)cc1F 12798880 FOGYQVINSBYYRI-INIZCTEOSA-N 408.477 4.525 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1cc(F)ccc1F 12800282 FGPKWLQUILFLAE-UHFFFAOYSA-N 403.860 4.752 0 40 HJAB CCOc1c(Br)cc(F)cc1NC(=O)COc1ccc(F)cc1Cl 12934470 IRWBUQFPOSZNKT-UHFFFAOYSA-N 420.637 4.797 0 40 HJAB O=C(O[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(C2SCCS2)cc1 12972514 RGRHCDNQTHADKG-IBGZPJMESA-N 413.564 4.686 0 40 HJAB CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 13036376 BZARBMCMBGGJRM-XUZZJYLKSA-N 401.466 4.731 0 40 HJAB CC1(C)C[C@]2(CCO1)Oc1ccc(Br)cc1[C@H]1CC(c3ccco3)=NN12 13584683 PRQJSYYZSIZUMQ-UZLBHIALSA-N 417.303 4.871 0 40 HJAB O=c1oc2c3c(ccc2cc1-c1ccc(Cl)cc1)OCN(Cc1ccccn1)C3 13722209 RIDZZWWZQOFPMQ-UHFFFAOYSA-N 404.853 4.861 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(C)s2)NC(=S)N1 13879019 QMOLBWFYXQZULN-HNNXBMFYSA-N 411.474 4.507 0 40 HJAB Cc1nc(-c2cccc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)c2)cs1 14018259 GQUFLRBRMQYMBQ-UHFFFAOYSA-N 411.552 4.671 0 40 HJAB Cc1cc(C)c2[nH]c(CSc3nnc(NC(=O)c4ccccc4)s3)cc(=O)c2c1 15787070 BPZMAWROJDNEJI-UHFFFAOYSA-N 422.535 4.541 0 40 HJAB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)S2)cc1 16161954 XWFHIOQVSOHYMW-CEMPLAKHSA-N 420.490 4.807 0 40 HJAB CCC(=O)N1N=C(c2cccs2)Sc2c1nc(-c1ccccc1)n2C(=O)CC 16777620 AYQPUKYPRCGREM-UHFFFAOYSA-N 410.524 4.872 0 40 HJAB Cc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(F)cc4C)c3C)c(C)o2)cc1 16844421 JPLIOIRTXUZMSB-UHFFFAOYSA-N 420.444 4.652 0 40 HJAB O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(Cl)c3)CC[C@@H]21 19293418 IQMCPJDUWAOXCQ-ACRUOGEOSA-N 400.975 4.628 0 40 HJAB COC(=O)c1cc2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc2s1 20029889 NGLABDSRCNNASJ-UHFFFAOYSA-N 416.307 4.796 0 40 HJAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC2=CCCCC2)C12CCCCC2 20734189 LRRZHFMLFFGJCO-QHCPKHFHSA-N 424.585 4.582 0 40 HJAB O=C(c1ccc2ccccc2n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 21902744 IZCVFPGDPGDYLM-UHFFFAOYSA-N 407.517 4.782 0 40 HJAB CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)c2c(C)oc(C)c2C)CC1 23879074 SXCVBFRHMISCTO-NRFANRHFSA-N 415.505 4.933 0 40 HJAB COc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1OCc1ccncc1 25852154 MQZPSZRKAKLSAZ-UHFFFAOYSA-N 402.372 4.940 0 40 HJAB O=C(NC[C@@H](O)c1ccc(F)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 31325066 QBCSYZKKONAACL-HXUWFJFHSA-N 403.375 4.975 0 40 HJAB Cc1cc(Br)ccc1NC(=O)CSCc1nc(-c2cccs2)no1 32778885 HSDKIUQSMSRVAA-UHFFFAOYSA-N 424.345 4.741 0 40 HJAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1ccc(-n2ccnc2)cc1 32907397 FVVWPUWBSZNVQK-MRXNPFEDSA-N 416.506 4.677 0 40 HJAB CCOc1ccc(NC(=O)COc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1 33012320 PYPFFMZAWLDFJT-UHFFFAOYSA-N 415.449 4.820 0 40 HJAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 35684686 VLZPBGAOBOEHAY-INIZCTEOSA-N 416.359 4.620 0 40 HJAB Cc1ccccc1[C@H](C)NC(=O)CSCc1nc(-c2cccc(Cl)c2)no1 40067429 UPBMXQGHHGBFNB-AWEZNQCLSA-N 401.919 4.809 0 40 HJAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(F)cc1)OCN(CCCOC(C)C)C3 54313737 XHQQLNZTGWHVAS-UHFFFAOYSA-N 411.473 4.875 0 40 HJAB biogenic C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1cccc(F)c1 57322851 DRHVUOJEIXVYCD-HNNXBMFYSA-N 409.436 4.506 0 40 HJAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc(Br)cnc1Cl 58245109 WUECFQXINSAYHY-GFCCVEGCSA-N 401.688 4.604 0 40 HJAB CC(C)n1ccc2c(NC(=O)Cn3nc(-c4ccccc4Cl)ccc3=O)cccc21 71284502 DAKURISRPRAFNE-UHFFFAOYSA-N 420.900 4.738 0 40 HJAB Cn1c(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc21 71804784 GQLLCTBGVHSAJK-UHFFFAOYSA-N 401.310 4.541 0 40 HJAB C[C@H](Sc1nncn1C)C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 72261700 WMRRZYMGQJSGCO-AWEZNQCLSA-N 421.551 4.725 0 40 HJAB C[C@@H](Nc1ncc(-c2cnccn2)c(-c2cccs2)n1)c1ccc2c(c1)OCCO2 72338763 ANFRUWMPXJOIFQ-CQSZACIVSA-N 417.494 4.606 0 40 HJAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2cccnc2)CC1 72345102 ZHRJLISDQRPHQW-UHFFFAOYSA-N 413.565 4.710 0 40 HJAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]1c1ccnc(-c2ccc(Cl)cc2)n1 72355866 HGNIFDLUZKMPHK-FQEVSTJZSA-N 403.873 4.651 0 40 HJAB CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)c2cnn(Cc3ccccc3)c2)s1 89289883 ROZNBPFFQPWVRW-WBVHZDCISA-N 411.575 4.722 0 40 HJAB CC[C@H](NC(=O)c1cnc(-c2ccccc2)s1)[C@@H](c1ccc(C)cc1)n1cncn1 89941942 WJKZLWVLLLYYAT-PZJWPPBQSA-N 417.538 4.508 0 40 HJAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccc2c(c1)OCO2 96124428 NZSLFODPFCXGQN-UHFFFAOYSA-N 416.462 4.930 0 40 HJAB OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@@H]2c2ccc3c(c2)OCO3)CCC1 102349908 WIADSOZIOIEWLV-LJQANCHMSA-N 401.422 4.521 0 40 HJAB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@H]3C2=O)cc1 102733841 CNTPOBMIWIPEHC-BHIFYINESA-N 418.880 4.700 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3OC(C)C)cc2)cc1 113936190 IUBPRAPCRZGWEG-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB O=C(O)COc1ccccc1/C=C1/SC(=O)N(Cc2cccc3ccccc23)C1=O 214837269 CEHWTNMKWUYYSA-UDWIEESQSA-N 419.458 4.540 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(I)cc1 216305515 ALUSSULFRDQJGW-HNNXBMFYSA-N 415.658 4.741 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 222401833 COSYEDSFRVNBRT-AHEZYBDSSA-N 406.452 4.947 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223088883 HDCDCXNRYHVAAL-QHCPKHFHSA-N 408.586 4.779 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 223809155 JIYCGVTUEHGGEZ-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB Cc1cc(C(=O)Nc2ccccc2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224215292 XBHDKVAZMXQJKB-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3ccc(C)cc3C)ccc2C)cc1 224304674 NLINYAXBKCOFCY-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc(NC(=S)Nc2ccccc2)cc1 224530757 YTCXNCBTQALITE-UHFFFAOYSA-N 417.943 4.950 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)Nc3cc(Cl)ccc3OC)o2)c(OC)c1 224869499 JTPFJKVTDKOBKJ-UHFFFAOYSA-N 416.861 4.592 0 40 HJAB CCn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)c(C)n1 253508429 KQSUPNWTORYXDA-FSKSFVQZSA-N 412.618 4.969 0 40 HJAB CCc1nn2c(nnc3c(=O)n([C@@H]4CCC[C@@H](C)[C@H]4C)ccc32)c1-c1ccccc1 253561599 CGVGSAQYWHRPKT-GPMSIDNRSA-N 401.514 4.666 0 40 HJAB Cc1ccc(Oc2ccccc2C(=O)N(CCC(=O)O)CCc2ccccc2)cc1 257252293 JUGOPAPESHPEEP-UHFFFAOYSA-N 403.478 4.947 0 40 HJAB O=C(c1ccc(O)cc1)N1CC[C@@H](Nc2cccc(F)c2)[C@@H](Cc2ccccc2)C1 257272242 NBPDKLWZOBLZJM-GBXCKJPGSA-N 404.485 4.717 0 40 HJAB O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CNc1ccc(Cl)c(Cl)c1 408973733 QJBRKMQWPFMJSD-OMCISZLKSA-N 423.277 4.828 0 40 HJAB O=C(C1CCCCC1)N1CCO[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 2037846589 SIKAHOBQNYUTGA-NRFANRHFSA-N 424.932 4.530 0 40 HJAB O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cc(F)ccc1Oc1cccc(F)c1 2037873305 NHLNLMODQHMBJG-UHFFFAOYSA-N 423.824 4.529 0 40 HJAB CC1(C)C[C@]2(CCCN2C(=O)c2ccc(C(F)(F)F)nc2)CN1c1cccc(F)c1 2037988428 HBIXJRVBIFOEGB-OAQYLSRUSA-N 421.438 4.903 0 40 HJAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2Cl)CC1 806962 MFWPEHDFQGAKGR-UHFFFAOYSA-N 420.340 4.550 0 40 HJAB CN1[C@H]2CC[C@@H]1C=C(N(CCc1c[nH]c3ccccc13)C(=O)c1ccc(F)cc1)C2 848778 GGHRAFZJZACSIF-RTWAWAEBSA-N 403.501 4.742 0 40 HJAB CN(C)C(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@@H](C(C)(C)C)C2 920972 BEIFZBWVKFVYKT-CYBMUJFWSA-N 402.535 4.992 0 40 HJAB O=C(OCc1ccc(I)cc1)c1cc2ccccc2cc1O 1262386 FPJUFEUAJPEOOS-UHFFFAOYSA-N 404.203 4.507 0 40 HJAB COc1cccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc(SC)cc4)C3)n2)c1 1360333 DBPRXHWBWFFIBA-MRXNPFEDSA-N 424.526 4.879 0 40 HJAB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1cccc(OCc2ccccc2)c1 2108595 LFEHVWYJDOESKN-VHRAYMLOSA-N 410.517 4.903 0 40 HJAB biogenic CCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OCC 2131474 STBPUGADWSWTMA-FIUWIIBXSA-N 420.553 4.820 0 40 HJAB biogenic COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccccc2C)cc1 2341027 OLMYRJUHJZCSIL-UHFFFAOYSA-N 400.478 4.850 0 40 HJAB Cc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(F)cc2)c(C)c1 2410289 VRUITDXLWLLLDF-NQHRYMMQSA-N 410.533 4.749 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 2634002 OMNJSXQABNJVTR-UHFFFAOYSA-N 408.816 4.528 0 40 HJAB C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)N[C@@H]1CCCc2ccccc21 3356418 VUNRUCXGKWNVBN-KBXCAEBGSA-N 416.616 4.957 0 40 HJAB O=C(CSc1nnc(Nc2ccccc2F)s1)N[C@H]1CCCc2ccccc21 3469137 HXECNBJPNQMELB-INIZCTEOSA-N 414.531 4.707 0 40 HJAB COC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC 3658723 FXKQHHWIDCWPAT-HNNXBMFYSA-N 419.506 4.750 0 40 HJAB O=C(c1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc(Cl)cc3)ccc(=O)n1C2 4237384 MVOWREJCNKJHRK-MAUKXSAKSA-N 422.887 4.567 0 40 HJAB biogenic,in-vitro CCOC(=O)c1cc(NCc2c(Cl)cccc2Cl)ccc1N1CCOCC1 4705468 ULFWUCGNCKFFBL-UHFFFAOYSA-N 409.313 4.619 0 40 HJAB CC(=O)c1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)C)c2ccccc2)c1 4933844 KHEHUWLZRDATNQ-JOCHJYFZSA-N 418.493 4.785 0 40 HJAB Cc1c(CC(=O)NCCCOC(C)C)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 5345495 GXBXEXUZZJPENU-UHFFFAOYSA-N 413.514 4.619 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4Cc5c(c(C)nn5C(C)=O)[C@]4(C)CC[C@H]32)C1 5534117 DLCTVKXJNPOKCT-FKHIRMOZSA-N 412.574 4.840 0 40 HJAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OCC(=O)c1ccc[nH]1 6610073 OYEBWQQGHLDDIA-INIZCTEOSA-N 402.800 4.550 0 40 HJAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)[C@@H]1CCCN1C(=O)c1cccs1 6649521 NFFCZPXFXKJZDG-SFHVURJKSA-N 417.962 4.635 0 40 HJAB CC(C)Cn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nnc1-c1ccccc1F 6886374 MWVIQLJUDIYSJI-GPMSIDNRSA-N 418.582 4.773 0 40 HJAB CCN1C(=O)S[C@H](Cc2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 6952907 VNJSFKJEALCCQH-GOSISDBHSA-N 405.903 4.554 0 40 HJAB COc1ccc(-c2nnc(SCc3nc(-c4cccs4)no3)n2C(C)C)cc1 7043797 CRKHJVISUBHZJG-UHFFFAOYSA-N 413.528 4.938 0 40 HJAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 8166500 AAJVMGKVFZXHBN-CIAFOILYSA-N 400.459 4.957 0 40 HJAB O=C1CS[C@]2(C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)N1c1ccccc1 8856981 CEPNFXAJWHMBPV-HSZRJFAPSA-N 420.921 4.820 0 40 HJAB O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccnc2)N1CCc1c[nH]c2ccccc12 8990424 SQRVDKWTCPSVRB-VWLOTQADSA-N 419.488 4.741 0 40 HJAB COc1cc(Cl)ccc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc12 9030242 HJQWRIVMPFXZLA-UHFFFAOYSA-N 418.685 4.971 0 40 HJAB O=C(Nc1ccccc1O)C1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 9255225 NHXGJJSWLKMURP-UHFFFAOYSA-N 416.477 4.675 0 40 HJAB CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2I)cc1 9259121 VEJKRBFNFGJCAG-UHFFFAOYSA-N 422.266 4.528 0 40 HJAB O=c1[nH]c(-c2cc(Br)ccc2O)nc2c1Cc1c(ccc3ccccc13)O2 9290426 BSKZMUIBLWJOER-UHFFFAOYSA-N 421.250 4.755 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)Nc1ccccc1 9355930 UUSZTDIIGYLGOY-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB O=C(Nc1ccc(-c2ccccc2)cc1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 9535795 MPFLPZMRFFCHED-FQEVSTJZSA-N 423.559 4.885 0 40 HJAB CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 10363283 OUQYHBMKMHOICV-UHFFFAOYSA-N 422.550 4.930 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCCC[C@@H]1c1cnn(C)c1 12232567 IQRXBTVRHCIYEH-QGZVFWFLSA-N 416.884 4.934 0 40 HJAB Cc1ccc(-n2nnc(C(=O)OCc3nc(-c4cccc(Cl)c4)oc3C)c2C)cc1 12415666 DIVWYXGVOKFSAM-UHFFFAOYSA-N 422.872 4.858 0 40 HJAB CCOc1cc(/C=C/C(=O)Nc2cccnc2)ccc1OCCOc1ccccc1 12515357 SCKVIDYXBQSHRD-ACCUITESSA-N 404.466 4.590 0 40 HJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Sc1nnnn1C1CC1)c1ccccc1 12692454 KHQMJFKCCXPBEA-MRXNPFEDSA-N 420.325 4.787 0 40 HJAB O=C(COc1ccc(Br)cc1F)N[C@@H](c1ccccc1)c1cccs1 12981739 AUZOKTVDNUYNMV-IBGZPJMESA-N 420.303 4.934 0 40 HJAB O=C(Nc1ccc(CN2CCCC2)cc1)c1cccc(NC(=O)c2cccs2)c1 14119146 DDVLUWCWMGFBFC-UHFFFAOYSA-N 405.523 4.849 0 40 HJAB CC1CCN([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccco2)CC1 15860075 FDQNNNZJWGTYID-IBGZPJMESA-N 413.905 4.791 0 40 HJAB COc1cn(CC(=O)Nc2ccc(C)cc2C)c(CSc2ccc(C)cc2)cc1=O 15883946 IUNIQILKXKXPMU-UHFFFAOYSA-N 422.550 4.713 0 40 HJAB CCc1cc(I)ccc1NC(=O)c1cc(Cl)ccc1OC 16161248 OLYCGMDCTGFIQD-UHFFFAOYSA-N 415.658 4.768 0 40 HJAB O=C(/N=c1\sc(-c2ccccc2)c(-c2ccccc2)n1CCO)c1ccccc1 17117729 KEUINQITNOYLAM-IZHYLOQSSA-N 400.503 4.617 0 40 HJAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CC3CCCCC3)C1)N2 19127653 BHDMDEHZGPMHCA-FGTMMUONSA-N 412.500 4.688 0 40 HJAB O=C(N[C@@H](c1ccccn1)C1CCN(Cc2cccc(F)c2)CC1)c1cccs1 19400847 DGYCQQJONPHGGS-JOCHJYFZSA-N 409.530 4.666 0 40 HJAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCCC2)C1 19528856 KNOUOUODELCNRM-XMMPIXPASA-N 410.583 4.503 0 40 HJAB c1ccc(CC2CCN([C@H](c3cccs3)c3nnnn3C3CCCC3)CC2)cc1 20098289 WBPKXTWRJCZAKT-JOCHJYFZSA-N 407.587 4.894 0 40 HJAB O=C(CSCc1ccc(F)cc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 21273169 WUZBBUUQWZBRQS-KRWDZBQOSA-N 416.543 4.881 0 40 HJAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)Cc1ccsc1 21935614 SRXFKUUGSBBINW-QGZVFWFLSA-N 413.370 4.858 0 40 HJAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(Cc2cccs2)CC1 22784260 YWDIRYCUEZLZJX-LJQANCHMSA-N 405.567 4.560 0 40 HJAB C[C@H](c1ccccc1)N1CCn2c(nc3cc(C(=O)NC4CCCCC4)ccc32)C1 23411557 DUJFDWIASAFYOB-GOSISDBHSA-N 402.542 4.676 0 40 HJAB COc1ccc(C)cc1C(=O)CCC(=O)N1CCC(c2nc3ccccc3s2)CC1 23500078 MJECQBRAEUUTGX-UHFFFAOYSA-N 422.550 4.982 0 40 HJAB Cc1cccc(CC(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@H]2c2ccccc2)c1 28047946 WZNHWVBJPINXRG-XMMPIXPASA-N 404.897 4.761 0 40 HJAB CC(=O)N(c1nc(Cn2cc(C(F)(F)F)ccc2=O)cs1)c1cccc(C)c1C 31625351 VFPOGTYGBLELEB-UHFFFAOYSA-N 421.444 4.673 0 40 HJAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)n1 32578667 VHBWNOZGJSLGPF-UHFFFAOYSA-N 416.275 4.640 0 40 HJAB COc1cccc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)c1OC 32609759 UOMSWJFWYHRNNP-UHFFFAOYSA-N 417.868 4.610 0 40 HJAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(SC(F)F)cc1 32797395 TWUGHJPYPMQCML-ZDUSSCGKSA-N 405.470 4.567 0 40 HJAB C=CCN1C(=O)S/C(=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)C1=O 34718262 ZYFXAGDVXUQBNH-MOSHPQCFSA-N 422.506 4.543 0 40 HJAB COC(=O)c1cccc2nc([C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)oc12 35446964 DWYVWHMOLKXAHK-AWEZNQCLSA-N 404.388 4.623 0 40 HJAB biogenic,in-vitro CCn1nc(C)c2c(C(=O)Nc3ccn(C(C)C)n3)cc(-c3ccc(C)cc3)nc21 36615827 XIOYIHQXNQDTAY-UHFFFAOYSA-N 402.502 4.765 0 40 HJAB CC1CCN(c2nc(O)c3c(=S)n(-c4ccc5ccccc5c4)cnc3n2)CC1 40385731 ONPBZDCNPIVJEA-UHFFFAOYSA-N 403.511 4.640 0 40 HJAB CC(C)c1ccc(CCC(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1 44506122 FQQYIOJDDKGKQI-SFHVURJKSA-N 404.514 4.778 0 40 HJAB O=c1c2sc(-c3ccccc3)cc2ncn1Cc1csc(Br)c1 58406617 FHMWOWZKYVFJFT-UHFFFAOYSA-N 403.326 4.997 0 40 HJAB C[C@@H](NC(=O)c1ccoc1)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 58552491 CGDGFPOSRJMAGR-CYBMUJFWSA-N 417.292 4.611 0 40 HJAB O=c1c2ccccc2c(-c2nc(-c3ccc(F)cc3)no2)nn1-c1ccc(Cl)cc1 64949892 ONRNTVZYGKFALP-UHFFFAOYSA-N 418.815 4.895 0 40 HJAB CC(C)(C)n1ncc2c1N=C1NC(=O)N(c3ccccc3)[C@@H]1[C@H]2c1ccc(F)cc1 66091488 QRFAKHADZYSJMT-RBUKOAKNSA-N 403.461 4.551 0 40 HJAB O=C(c1oc2ccccc2c1CSc1ncccn1)N1CCCC[C@@H]1c1ncc[nH]1 71853803 YWLUZIFXWUGTJY-QGZVFWFLSA-N 419.510 4.606 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2F)C1)C1CCCC1 72330399 PGZHCWHVWAKBRQ-CVDCTZTESA-N 413.512 4.620 0 40 HJAB CCc1cc(=O)n2nc(N(C)[C@@H]3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)sc2n1 95463637 VWSRLLYAALTCNK-HZPDHXFCSA-N 422.476 4.505 0 40 HJAB Cc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 96114647 ZOSOHNRDDARFGM-KRWDZBQOSA-N 414.413 4.621 0 40 HJAB biogenic Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CCc3ccccc3)CC2)n1 100738807 VQAHSMTXJWMPLW-DKXQDJALSA-N 414.553 4.870 0 40 HJAB Cc1cc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc(C)c1Br 218842892 NLWPBNQVXANYNF-QGZVFWFLSA-N 418.331 4.863 0 40 HJAB O=C(COc1ccc(Cl)cc1Br)NCCCc1ccc(Cl)cc1 218855242 KSZKEHVPCWQXQS-UHFFFAOYSA-N 417.130 4.884 0 40 HJAB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3nc(-c4ccccc4Cl)no3)cc2)C1 219240670 WQUIDTCIFREKOS-INIZCTEOSA-N 424.932 4.552 0 40 HJAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 222761542 JHIKHHQUXSMNNZ-IBGZPJMESA-N 420.940 4.616 0 40 HJAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)nc1 224156430 HLWHISPUASAFPY-PKTZIBPZSA-N 411.534 4.753 0 40 HJAB Cc1ccc(OCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1Cl 224167825 ZGXLJFHOWCTKGD-UHFFFAOYSA-N 421.368 4.709 0 40 HJAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 224630785 HVVLZNFLKIOVKH-HXUWFJFHSA-N 421.368 4.522 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(CC)cc1 224841239 FJGJSKZLOHXKFR-GOSISDBHSA-N 414.977 4.779 0 40 HJAB COc1ccc(-c2noc(CCC(=O)Nc3c(Cl)cccc3Cl)n2)cc1OC 225825990 FRMODRPZSPWYEC-UHFFFAOYSA-N 422.268 4.632 0 40 HJAB O=C(CN1CCC(c2ccc(Cc3cccc(F)c3)cn2)CC1)Nc1ccc(F)cc1 257228704 FUXCTHKIAUIZHD-UHFFFAOYSA-N 421.491 4.769 0 40 HJAB CC(C)n1nccc1C(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257305026 SODBFRIQKGRUJJ-QGZVFWFLSA-N 412.921 4.716 0 40 HJAB O=C(N1CCOC[C@@H](Cc2cccc3ncccc23)C1)C1(c2ccccc2)CCCC1 257335084 YIPWMNXPDBISGU-NRFANRHFSA-N 414.549 4.764 0 40 HJAB COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1NC(=O)c1ccc(C)cc1 408554613 CSMPBTVKZDHVSA-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1 408563732 OSPUGLADJBCJOJ-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(Cl)c4C)cc3)C(=O)[C@@H]2C1 408687108 UIRPMVWTIVFIPX-ZWKOTPCHSA-N 408.885 4.746 0 40 HJAB Cc1cccc(N2C[C@H](C(=O)NCC(c3ccccc3)c3ccccc3)CC2=O)c1C 408709144 YCRGREGOOGGPGS-HSZRJFAPSA-N 412.533 4.605 0 40 HJAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CSCN1C(=O)OCc1ccccc1 408736404 BQIVSCGLEWLLBM-OAHLLOKOSA-N 411.310 4.644 0 40 HJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(Cl)c3)[C@@](O)(C(F)(F)F)[C@H]2C1 409101637 WVOQTIMGIAZIQD-IAISJRAMSA-N 402.844 4.865 0 40 HJAB CCCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccc(Cl)cc1 409107100 UUHMJHBQMDTRLU-HUUCEWRRSA-N 406.983 4.890 0 40 HJAB CCOC(=O)c1c(NC(=O)CSCc2ccccc2C)sc2c1CCCC2 409110262 ALQNTYNOEPUGAV-UHFFFAOYSA-N 403.569 4.984 0 40 HJAB CC(C)c1noc(-c2ccccc2C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)n1 595412582 PEHYJIBINNDXMV-UHFFFAOYSA-N 415.497 4.756 0 40 HJAB CCN(CC)C(=O)c1ccc2c(c1)CN(C(C)C)CCCCCCCN2C(C)=O 643575776 OCBOYHBPJZMSNV-UHFFFAOYSA-N 401.595 4.696 0 40 HJAB O=C(C1CCCC1)N1CCC2(CC1)CN(Cc1ccccc1)Cc1ccccc1O2 1616033579 QWFBMFHXPPVISX-UHFFFAOYSA-N 404.554 4.633 0 40 HJAB Cc1ccccc1CC(=O)N1CCC[C@@](O)(COc2cc(C)c(Cl)c(C)c2)CC1 2037912225 IASGDQRWOJBZFA-DEOSSOPVSA-N 415.961 4.630 0 40 HJAB Cc1ccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1C 835326 VDSURAREPPQZGA-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCC(C)C)c(Cl)c3N2)cc1 867055 WCPYRTAOJUYXQH-ZIAGYGMSSA-N 414.859 4.891 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(-c2cc3ccccc3cc2O)o1 892359 LSXBXYWDQYHHBA-UHFFFAOYSA-N 405.479 4.889 0 40 HJAB Cc1ccc2c(c1)cc(CN(C(=O)Nc1ccccc1F)C1CCCC1)c1nnnn12 1376882 MQOGFHMQUWCWMR-UHFFFAOYSA-N 418.476 4.702 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 2734862 GDNYHMIOCWVAQF-UHFFFAOYSA-N 410.282 4.685 0 40 HJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 3384824 IHYLSDNEOHHCAD-GFCCVEGCSA-N 400.828 4.826 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c(C)c1 3607799 RDQUUPSOXRPQCH-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(SC)cc3)N2C1=O 3636755 JOXGTVRRBSEHJW-WMZOPIPTSA-N 418.584 4.646 0 40 HJAB Cc1ccc2cc(CCNC(=O)CC(c3ccccc3)c3ccccc3)c(=O)[nH]c2c1 4032836 QHRFCOSCWWYYEW-UHFFFAOYSA-N 410.517 4.717 0 40 HJAB CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)CCC)CC3)cc2)c1 4120409 PPJASRGAPZUXIN-UHFFFAOYSA-N 423.557 4.567 0 40 HJAB COc1ccc(-n2c(/C=C/c3cc(OC)ccc3OC)nc3ccccc3c2=O)cc1 4154845 BFRLGQJWEBBIPC-OVCLIPMQSA-N 414.461 4.582 0 40 HJAB CCc1cc2cc(C)c(C)cc2nc1SCC(=O)NCc1ccc2c(c1)OCO2 4849436 WOKFALARPUSPLY-UHFFFAOYSA-N 408.523 4.551 0 40 HJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(OC)cc1)cn2Cc1ccccc1 4936836 QKJOFJFAANNXKP-UHFFFAOYSA-N 413.473 4.688 0 40 HJAB Cc1nc2cc(C(=O)OCC(=O)c3c[nH]c4ccccc34)ccc2n1-c1ccccc1 5267373 PRQIMGOZLUIRKV-UHFFFAOYSA-N 409.445 4.855 0 40 HJAB O[C@]1(C(F)(F)F)[C@H]2CCc3ccccc3C2=NN1c1nc(-c2ccccc2)cs1 5275038 LIPWZSDAPDDIIE-JXFKEZNVSA-N 415.440 4.848 0 40 HJAB O=C(Nc1cccc(F)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 6214081 IYHHDAZKIJBWJG-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 6650165 YJNIKVQLPKDGNW-FQEVSTJZSA-N 412.411 4.685 0 40 HJAB CCCN1C(=O)S[C@@H](Cc2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 6879231 KEMVYURBNBLJMN-IBGZPJMESA-N 419.930 4.944 0 40 HJAB C[C@@H](Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)C(=O)NC1CC1 7654394 WUDXXOTXPAMWRK-CYBMUJFWSA-N 412.540 4.833 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2cccc(Cl)c2Cl)c1 7717484 HRIPNLZUCXNNJR-QGZVFWFLSA-N 409.313 4.786 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(COc2ccccc2C)o1 8571645 QRAMNRYYACETSW-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCC(=O)c1ccc(Cl)s1 8750714 RNUNVLVHPXUZKU-UHFFFAOYSA-N 415.946 4.826 0 40 HJAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)c1 8959306 QCUHSGCWLLZKFV-UHFFFAOYSA-N 424.541 4.810 0 40 HJAB Sc1nnc(Cn2c(-c3ccccn3)nc3ccccc32)n1-c1ccccc1Cl 9410886 CNLAEAVRBGWHLI-UHFFFAOYSA-N 418.913 4.669 0 40 HJAB Cn1c(SCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1ccc(F)cc1 9466234 ZSNTWWNRUJUVTB-UHFFFAOYSA-N 401.854 4.617 0 40 HJAB Cc1ccc2[nH]c(SCC(=O)N3CCC(c4nc5ccccc5s4)CC3)nc2c1 9516776 FBRMENBAGBFWTA-UHFFFAOYSA-N 422.579 4.979 0 40 HJAB CCOc1ccc(OCCS[C@H](C)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 9913139 ZLFCVSLLPFDQED-CQSZACIVSA-N 409.935 4.887 0 40 HJAB CCCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(C)cn2)n1 12527730 NCUBGLQGPQWXER-HNNXBMFYSA-N 421.526 4.668 0 40 HJAB CN(Cc1ccco1)C(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1 12607521 PHLPUJJGAKTNKS-UHFFFAOYSA-N 404.495 4.717 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CN(C)Cc1ncc(-c2ccc(Cl)cc2)o1 12767732 XAEIXURBMRDWNE-UHFFFAOYSA-N 420.296 4.728 0 40 HJAB CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccccc1OC 15953514 MSNAJPITWAXSRH-JHMXWDHMSA-N 409.526 4.602 0 40 HJAB biogenic CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H]3CC=CCC3)C1)N2 19083956 SOEYOYUNSJDPLY-ZJPYXAASSA-N 420.548 4.766 0 40 HJAB COc1ccc(CN(Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OC 19120481 JAPMPYCAXLWCMT-JTHBVZDNSA-N 421.541 4.809 0 40 HJAB O=C(C1CC1)N1CCCC[C@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 19344153 FULFAEIIOLBDAR-HNNXBMFYSA-N 420.460 4.940 0 40 HJAB O=C(CCc1ccccc1)NCCn1ncc(-c2ccncc2)c1-c1ccc(F)cc1 19370936 ITHUTEXQVHSVQQ-UHFFFAOYSA-N 414.484 4.500 0 40 HJAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 20044129 KXVRNEZCPOEGMR-MRXNPFEDSA-N 412.555 4.877 0 40 HJAB COc1cc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)ccc1OC(C)C 20456261 SGXUOOXTJBAFJH-UHFFFAOYSA-N 410.558 4.644 0 40 HJAB O=C(O)[C@H](c1c[nH]c2ccc(Cl)cc12)N1CCC(c2nc3ccccc3o2)CC1 20739715 VJTSIJOAXDYDML-FQEVSTJZSA-N 409.873 4.968 0 40 HJAB CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 22255799 MRRWKDUUCNTNKQ-NRFANRHFSA-N 418.541 4.619 0 40 HJAB O=C(Nc1cccc(CNCc2cc(Cl)ccc2OCc2cccnc2)c1)C1CC1 27217514 ZUHLMIJJULHTRH-UHFFFAOYSA-N 421.928 4.952 0 40 HJAB CC(C)c1ccc(OCC(=O)Nc2nonc2-c2ccc(Br)cc2)cc1 27583115 KHSUAOXUMFPUBA-UHFFFAOYSA-N 416.275 4.640 0 40 HJAB Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 27672250 FQIVCHKOCXMQCH-UHFFFAOYSA-N 415.331 4.557 0 40 HJAB CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 28206864 BQSRNDPAMCYVSY-QGZVFWFLSA-N 420.534 4.641 0 40 HJAB Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3cc(C4CC4)nc4onc(C)c34)o2)c1 28477972 HSUZZKODZSKUKB-CYBMUJFWSA-N 404.426 4.685 0 40 HJAB COc1ccccc1[C@@H](CNC(=O)c1sc2nc(C)cc(C)c2c1C)N1CCCC1 29045414 WASGUNZSGMGKPY-LJQANCHMSA-N 423.582 4.797 0 40 HJAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 32906115 NYFADHPTJKGJCV-LDADJPATSA-N 421.403 4.637 0 40 HJAB Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1C1CCCCC1 40080417 SQWOQMRPZLOANQ-KRWDZBQOSA-N 416.587 4.847 0 40 HJAB CC(=O)c1cn(CC(=O)Nc2ccc(Br)cc2Cl)c2ccccc12 40267775 PTAOFPOUUVQGDX-UHFFFAOYSA-N 405.679 4.899 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 44911801 UMVDBACGEVAGNW-IBGZPJMESA-N 414.933 4.676 0 40 HJAB COc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 46012151 QTUWTEOWHWUJJP-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB Cc1ccc(-c2noc([C@@H](C)OC(=O)c3sc(-c4ccccn4)nc3C)n2)cc1F 48249848 GFCQUQOMCQESQZ-CYBMUJFWSA-N 424.457 4.929 0 40 HJAB O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)Nc1ccc(F)cc1 57511029 SQIPYAMGOBGZPI-UHFFFAOYSA-N 412.877 4.920 0 40 HJAB Cc1ccccc1COc1ccccc1C(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1 61459747 XCAWDNLUYKTYOG-UHFFFAOYSA-N 411.461 4.577 0 40 HJAB CC(C)[C@@H](NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)c1nnc2ccccn12 72291358 DWIXZDSVXIHEKB-IFXJQAMLSA-N 404.436 4.755 0 40 HJAB Cc1ccc2[nH]c3c(SCC(=O)N[C@H](C)CCc4ccccc4)ncnc3c2c1 72331966 MOZRTBIWJZKYDU-MRXNPFEDSA-N 404.539 4.649 0 40 HJAB Cc1nc2ccccc2n1Cc1cc(N[C@H](C)c2ccc(OC(C)C)cc2)nc(N)n1 72373260 RQECUMUOJCDELF-MRXNPFEDSA-N 416.529 4.726 0 40 HJAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCN(C(=O)CCn3cnc4ccccc43)C2)n1 72374779 WUMPQOXRLBQRRI-HSZRJFAPSA-N 424.548 4.737 0 40 HJAB CC(C)c1nccn1-c1cccc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 72378964 UVVAYPJVZPYEEW-NRFANRHFSA-N 402.542 4.730 0 40 HJAB O=C(c1cc(Cl)ccc1Cl)c1ccccc1CN1CCC2(CC1)OCCO2 85651607 QZCGEANXFUKISD-UHFFFAOYSA-N 406.309 4.563 0 40 HJAB COc1ccc([C@@H]2CC3=Nc4nonc4N[C@H](c4cccc(OC)c4)C3=C(O)C2)cc1 102748339 HGECIMUPRWYNOT-QVKFZJNVSA-N 418.453 4.716 0 40 HJAB CC(=O)N(c1nc(COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cs1)c1ccc(F)cc1F 108858425 DJHCDSOCUVNIEG-KKUMJFAQSA-N 420.481 4.975 0 40 HJAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1Cl 142023283 XXPMUJXGOKVXKJ-UHFFFAOYSA-N 403.906 4.824 0 40 HJAB CCOc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Br 222582547 QZPFBMZQVLDJCL-UYHISHBKSA-N 418.360 4.832 0 40 HJAB Cc1ccc(OCCCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)cc1 222698065 MAFXZKJGPLHZQB-OAQYLSRUSA-N 424.585 4.794 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 222982728 PFVIFFWGPPTZBJ-HXUWFJFHSA-N 424.585 4.697 0 40 HJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 223077965 INYBZUKEHSDZBL-HSZRJFAPSA-N 408.542 4.891 0 40 HJAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)c(C)c1 223578228 JJRYMAWQDOTYOA-UHFFFAOYSA-N 413.543 4.606 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F 224241384 WOCAFQGZWNAQSK-QHCPKHFHSA-N 410.533 4.543 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)NCC(C)C)cc1 224583460 QUPRFVOSQHOPOW-DEOSSOPVSA-N 424.585 4.516 0 40 HJAB Cc1cc(O[C@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)cc(C)c1Cl 224614417 OTBMADSHEQNFRE-GOSISDBHSA-N 400.950 4.636 0 40 HJAB CCc1ccc([C@@H](C)NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 224915035 YWMXJRAVXNIRMM-GOSISDBHSA-N 422.550 4.565 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 225194736 ZDSBUKMCKMGQDS-RBUKOAKNSA-N 414.977 4.831 0 40 HJAB O=C(COc1cccc(C(F)(F)F)c1)NCCSCc1c(F)cccc1Cl 225810725 QVXLQAMLNLLCDD-UHFFFAOYSA-N 421.843 4.926 0 40 HJAB CSc1ccccc1NC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225820816 KTNQGYAOHDCFMK-UHFFFAOYSA-N 418.316 4.792 0 40 HJAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(F)cc2)cc1 408697236 GKAWTWPVHQOICL-UHFFFAOYSA-N 402.429 4.724 0 40 HJAB Cc1cc(C)nc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)ccn2)n1 585292559 OMLLKXLPQHXSBC-NELJVSICSA-N 413.525 4.651 0 40 HJAB C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 605366378 FPGROVTUBWBEPG-IIDMSEBBSA-N 410.518 4.928 0 40 HJAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)C1CCOCC1 643582174 UCIBAANBMKIZNU-QHCPKHFHSA-N 422.569 4.861 0 40 HJAB O=C(N[C@@H]1CCC[C@H]1NC(=O)c1cccc(C(F)F)c1)c1cccc(C(F)F)c1 647620581 SGEICGASNZEOKK-IAGOWNOFSA-N 408.395 4.643 0 40 HJAB CC[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 865610 HGZLQJBKHRHJMS-JZXOWHBKSA-N 406.452 4.948 0 40 HJAB CCn1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nnc1-c1cc2ccccc2cc1O 896753 NITMZVBEIHOIHG-IYBDPMFKSA-N 424.570 4.705 0 40 HJAB CCc1ccc(Oc2coc3cc(OCC(=O)NC4CCCCC4)ccc3c2=O)cc1 956113 ZNQOYMJPZWHZSR-UHFFFAOYSA-N 421.493 4.975 0 40 HJAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)c(C)c1 990115 CDOYGFPWIKVXJY-RUZDIDTESA-N 419.908 4.964 0 40 HJAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)Nc1cc(C)cc(C)c1 1353553 QHZKDZCCBQWNKX-UHFFFAOYSA-N 419.456 4.613 0 40 HJAB CCc1cccc(-n2c(N)c(C(=O)OC[C@@H](C)CC)c3nc4ccccc4nc32)c1 2437463 GCUVLORRZQYFPW-HNNXBMFYSA-N 402.498 4.921 0 40 HJAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 2452465 JNVVPKVKNWJEQT-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB O=C1c2ccccc2-c2nn(C(=O)c3ccccc3Br)c3cccc1c23 3647697 UEEVWMKOSCQHTM-UHFFFAOYSA-N 403.235 4.699 0 40 HJAB CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](c3ccc(N(C)C)cc3)[C@H]1[C@H]2C 3999158 MATUOSYEEAMWHP-RUGFMQOOSA-N 400.563 4.793 0 40 HJAB biogenic O=C(O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2ccccc2F)cc1 4928675 HVXOGVNAMZQMGT-JOCHJYFZSA-N 413.408 4.664 0 40 HJAB Clc1cccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)c1 5025189 DMHQRIMQWRSSEC-UHFFFAOYSA-N 405.708 4.719 0 40 HJAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2cc(C)ccc2C)cc1 5191373 QMRMWHQBABTUIB-ZSQFBXSQSA-N 422.569 4.619 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 5448144 GKTFINDOYJIUTN-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4cccc(Cl)c4)ncnc32)cc1 5499479 OJLZJCXREJLECP-UHFFFAOYSA-N 409.902 4.508 0 40 HJAB COc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1OCc1ccc(Cl)cc1 5738873 DYDHMVTWFXUVQE-UHFFFAOYSA-N 409.873 4.709 0 40 HJAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H](CC(=O)c2ccccc2)Nc2ccccc2)cc1 5895942 USOIXSDZDNZRMO-CVDCTZTESA-N 415.489 4.863 0 40 HJAB CC(=O)c1cc2c(cc1NC(=O)c1ccccc1OCc1ccc(F)cc1)OCO2 6887315 ITECOTTWDDUFAU-UHFFFAOYSA-N 407.397 4.588 0 40 HJAB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1cccc(F)c1)oc1ccccc12 6933244 SODXRYZYERSIEP-ZDUSSCGKSA-N 407.397 4.918 0 40 HJAB O=C(CCCc1c[nH]c2ccccc12)OCc1cc(=O)oc2cc3c(cc12)CCC3 7016445 KSPCNFFCDSYAJU-UHFFFAOYSA-N 401.462 4.829 0 40 HJAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 7387930 QSAWATFPDXJQHE-UHFFFAOYSA-N 421.585 4.931 0 40 HJAB Cc1cc(C(=O)CSc2nnc(NC3CC3)s2)c(C)n1Cc1cccs1 7577536 TVFDOZSEXZDMSC-UHFFFAOYSA-N 404.586 4.616 0 40 HJAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)OCC(=O)c1ccc(Cl)s1 7985731 RMFASNXVOBSWRR-GORDUTHDSA-N 413.278 4.656 0 40 HJAB O=C(CNc1ccccc1N1CCCC1=O)Nc1ccc(Oc2ccccc2)cc1 8230614 PYCLWRDNHLCUFB-UHFFFAOYSA-N 401.466 4.656 0 40 HJAB Cc1n[nH]c(C)c1NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 8343522 OIHZAWWRQRDOPT-UHFFFAOYSA-N 403.511 4.610 0 40 HJAB COc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 8726526 NPYOXNPQTBCLNX-SFHVURJKSA-N 419.477 4.883 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1F)c1cccc(Cl)c1 8810214 VQPFXARUHAWQCV-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB O=S(=O)(c1ccccc1)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccccc1 9060253 YMZUGBLBTLXZEI-QHCPKHFHSA-N 417.534 4.610 0 40 HJAB CC(C)c1cc(C(=O)NCc2ccccc2OC(F)F)c2cnn(C(C)C)c2n1 10115008 VTSUJWSYLJGUPF-UHFFFAOYSA-N 402.445 4.667 0 40 HJAB NC(=O)[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1ccc(F)cc1 10206051 FKRLSYJNIHODPM-CYBMUJFWSA-N 411.936 4.774 0 40 HJAB COc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)cc1OC 10253875 AIHGCDIQQUYIJF-UHFFFAOYSA-N 416.268 4.883 0 40 HJAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O 10357115 LCVLBGKQPGJKCM-OAHLLOKOSA-N 408.951 4.565 0 40 HJAB COc1ccc(Br)c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 11361676 NTHGIAOYMJGLJY-UHFFFAOYSA-N 415.243 4.555 0 40 HJAB Cc1ccc(SCC(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc1 11432834 TXRJWHWHSXVRBK-UHFFFAOYSA-N 416.344 4.733 0 40 HJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(=O)c(OCc2ccc(F)cc2)co1 11856838 SUFJQPQOSAIVDH-UHFFFAOYSA-N 423.318 4.509 0 40 HJAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CCCc2ccccc2)c2ccccc2)cc1 12821776 ZIZQDAZZOFNQQH-XMMPIXPASA-N 422.550 4.688 0 40 HJAB Cc1noc(C)c1CSc1nc(NC(=O)c2ccccc2)c2c(C)c(C)oc2n1 12855044 FRRFBVYVAFTECV-UHFFFAOYSA-N 408.483 4.989 0 40 HJAB Cc1ccccc1[C@@H](Sc1nnc(N2CCOCC2)n1C1CC1)c1ccccc1 12908301 DMBCEJOAKXMTSL-NRFANRHFSA-N 406.555 4.640 0 40 HJAB Cc1ccc(CSCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 12920950 ZKLQVAAYDHJTCW-UHFFFAOYSA-N 411.354 4.632 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 14171366 TYWDPXOGDAJMPP-UHFFFAOYSA-N 421.500 4.624 0 40 HJAB CSc1ncccc1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 14502789 NLIQWNYOQCUDQJ-UHFFFAOYSA-N 414.534 4.645 0 40 HJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3nc4c(s3)CCC4)cc12 15636676 OLWWVNMHYGTXLE-UHFFFAOYSA-N 412.515 4.791 0 40 HJAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)c1 17088775 NKXQVMNHCHHYHO-UHFFFAOYSA-N 411.296 4.504 0 40 HJAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 17088999 JEOSIFAPUIBJCA-KRWDZBQOSA-N 411.571 4.981 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 17307487 PIKGNZQIPJWWBU-UHFFFAOYSA-N 400.478 4.931 0 40 HJAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)C4CCCCC4)C3)cc2N1 19520660 UAYFJBZHWHTQMS-LZLYRXPVSA-N 412.500 4.867 0 40 HJAB COc1cccc(NC(=O)c2cnc(Nc3nc(-c4ccccc4)cs3)nc2C)c1 19819574 XQADWKODBAYQRT-UHFFFAOYSA-N 417.494 4.913 0 40 HJAB Cc1cccc(-c2nnc(CSc3nnc(COc4ccc(C)c(C)c4)o3)o2)c1 19928067 SIQJJNFFKSPLBU-UHFFFAOYSA-N 408.483 4.916 0 40 HJAB COc1ccc(OC)c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 20149775 PZIPLWISAXHTLW-UHFFFAOYSA-N 402.538 4.611 0 40 HJAB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCc1ccc(OC)cc1)C3 20411932 FHWUVWPXUNQJOX-UHFFFAOYSA-N 413.901 4.802 0 40 HJAB CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1CCc1ccccc1 28188970 YJFOFLBAPUZLIP-UHFFFAOYSA-N 403.507 4.856 0 40 HJAB COC(=O)c1c(C)[nH]c(-c2cccc(OC)c2)c1[C@H]1C(=O)Nc2ccc(Cl)cc21 32104234 XVPZPIJLVZQPIB-SFHVURJKSA-N 410.857 4.523 0 40 HJAB Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)c2)cs1 32675947 HAPQNXHSNGCUMX-DNVCBOLYSA-N 405.523 4.667 0 40 HJAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCCN1C(=O)c1ccccc1 32759867 MLPXYGQPHHVCLT-HXUWFJFHSA-N 408.885 4.521 0 40 HJAB C[C@H](OC(=O)c1ccc(SCc2cscn2)cc1)C(=O)Nc1ccccc1F 32902175 VGDLPIDMECINGY-ZDUSSCGKSA-N 416.499 4.759 0 40 HJAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(Cc1ccco1)C(=O)c1ccccn1 35312531 FATAJGWGEJHZDE-OAQYLSRUSA-N 423.538 4.569 0 40 HJAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(Cc2c(F)cccc2Cl)CC1 39773301 RLFYNGHXEQPVPS-UHFFFAOYSA-N 404.957 4.776 0 40 HJAB C[C@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1cccc(C(F)(F)F)c1 40086781 IHIKNHAICQMQFV-AWEZNQCLSA-N 413.399 4.844 0 40 HJAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cccc(-c4nnco4)c3)c12 40132883 ODGKYOVLAIPRAU-UHFFFAOYSA-N 416.485 4.674 0 40 HJAB O=C(Cn1ccc2ccc(OCc3ccccc3)cc21)Nc1nnc(C2CC2)s1 40284864 QGPGGZJSSOOMKE-UHFFFAOYSA-N 404.495 4.588 0 40 HJAB COC(=O)[C@H]1CC(=O)N(c2cc(-c3nc4cc(Cl)cc(Cl)c4o3)ccc2C)C1 45887774 NVEHNDWZRKDERD-LBPRGKRZSA-N 419.264 4.636 0 40 HJAB CCSc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cn1 58005300 MABJJLLFIVQFRV-UHFFFAOYSA-N 406.920 4.628 0 40 HJAB CCOc1ccc(CNC(=O)c2cc3ccccc3cc2NC(=O)CC)cc1OC 58213733 KUURBCUDEKNROV-UHFFFAOYSA-N 406.482 4.526 0 40 HJAB Fc1ccc([C@H](CNc2cc(C(F)(F)F)nc3ccccc23)N2CCOCC2)cc1 89866634 JXKAXIYAJQERSL-FQEVSTJZSA-N 419.422 4.878 0 40 HJAB CCN(CC)CCSc1nnc(CNc2cccc(OC)c2)n1C1CCCCC1 96003426 ROWISHXCAJGGGW-UHFFFAOYSA-N 417.623 4.838 0 40 HJAB C[C@@H]1CCCCN1C(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1 96154632 QSMSECCCAXMHQN-OAHLLOKOSA-N 410.543 4.956 0 40 HJAB Cc1n[nH]c(O)c1[C@H](c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1c(O)n[nH]c1C 96193523 BNPXBDPMDJRDQE-UHFFFAOYSA-N 412.534 4.642 0 40 HJAB COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C1=O 97797806 CIZSTSGGCAXLQN-ZLSIYFNSSA-N 409.485 4.938 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 100122155 UATSXNGJSNRLHJ-HKBOAZHASA-N 422.843 4.530 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 223237852 CPHPILJKCNTVNA-SFHVURJKSA-N 400.950 4.525 0 40 HJAB COc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1Cl 223862924 SOGOMJWFFAKJPU-AQTBWJFISA-N 412.898 4.820 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 225162342 ZEBQOSHNYAHLOC-ZWKOTPCHSA-N 400.950 4.523 0 40 HJAB S=C(NCCCSCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 225609707 FOMNAHSDRSHBSA-UHFFFAOYSA-N 408.976 4.721 0 40 HJAB CCOc1ccc([C@@H](C)NC(=S)Nc2cc(C(=O)OC)ccc2C)cc1OCC 225750309 XZLURIFQSNYLBR-OAHLLOKOSA-N 416.543 4.627 0 40 HJAB CC(C)(C)C(=O)N1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1 248245567 GUHKWTAWVRWMOF-AEGPPILISA-N 400.489 4.579 0 40 HJAB O=C(c1ccccc1Cn1cccn1)N1CCC[C@@H](Cc2cccc3ncccc23)CC1 257211171 BXTKBOATIPJJBL-OAQYLSRUSA-N 424.548 4.965 0 40 HJAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OCC[C@@]31C2 257284512 PCYKQIVXXPNEOU-VISFHTIBSA-N 401.547 4.503 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccc(C(=O)O)cc3)N21 260771911 LZYVFQPTGVJUOK-CZAAIQMYSA-N 418.522 4.550 0 40 HJAB Cc1cccc(-c2nc(C(=O)OCC(=O)c3ccccc3)nn2-c2cccc(C)c2)c1 408698333 PGQLSARXFJPWKT-UHFFFAOYSA-N 411.461 4.591 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3N3CCC(C)CC3)CC2=O)cc1C 408707897 MLPVKFVWOBQYQZ-FQEVSTJZSA-N 405.542 4.531 0 40 HJAB CCc1ccccc1NCc1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1 409115794 KQMVGFSCVDPDNT-UHFFFAOYSA-N 411.523 4.946 0 40 HJAB CCc1ccc(NC(=O)CN2CCC(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 1889186320 CDYXKFUXKBMSLP-UHFFFAOYSA-N 418.541 4.501 0 40 HJAB CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 2037949807 VRAMKYHBFBAASD-HOIFWPIMSA-N 413.961 4.526 0 40 HJAB CC1(C)C[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3)CC[C@@H]2N1c1ccc(F)cc1 2037988557 VBSZWNOUYZLIFE-QAPCUYQASA-N 421.438 4.759 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)CCCC4 925298 ADYMEOHNAZHTQG-UHFFFAOYSA-N 423.567 4.511 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(O)c2)n2nc(-c3ccccc3)nc2N1 950576 LHWLWOBWRTWWEA-QFIPXVFZSA-N 423.476 4.578 0 40 HJAB CCOC(=O)c1cnc2cc3c(cc2c1Nc1cccc(C(F)(F)F)c1)OCO3 1586154 DVBYONYILCHYST-UHFFFAOYSA-N 404.344 4.903 0 40 HJAB CCOC(=O)c1cccc(-n2c(-c3ccc(OC)cc3)nc3nc4ccccc4nc32)c1 2225689 JFGDLUYTSBETBR-UHFFFAOYSA-N 424.460 4.821 0 40 HJAB CN(Cc1cccs1)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 3352910 XOTKDFRSRRQPGD-UHFFFAOYSA-N 420.563 4.747 0 40 HJAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccc2c(c1)OC1(CCCC1)O2 3442836 WPWWMYKNLQWPEO-UHFFFAOYSA-N 422.264 4.830 0 40 HJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(nc3ccccc32)N1 4735593 IUBHUAJQKBMSTO-JOCHJYFZSA-N 421.497 4.686 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C(F)(F)F)cc2)n2ncnc2N1 4815486 HINYMFQBNPPWFZ-GOSISDBHSA-N 413.403 4.533 0 40 HJAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1OC 4854511 VCEZAXZXFSHXLJ-HSZRJFAPSA-N 405.498 4.759 0 40 HJAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ncc(C)c(OC)c1C 4905212 UFRVZYIGFMYMBT-UHFFFAOYSA-N 421.472 4.817 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)COc3ccc(CC(=O)OC)cc3)ccc21 5198526 LBFFFALUFHESAT-UHFFFAOYSA-N 416.477 4.547 0 40 HJAB O=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 5265218 UDYPFGLCKVKYNU-UHFFFAOYSA-N 407.470 4.833 0 40 HJAB Cc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 5267418 GVFAPJIYPBWMLC-OAQYLSRUSA-N 400.434 4.764 0 40 HJAB CCN(C(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O)C1CCCCC1 5352027 GTMYCGBXMAIIIP-UHFFFAOYSA-N 415.584 4.676 0 40 HJAB C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)N[C@H](C)c1ccc(F)cc1 5391950 ICNONBCZPBBGCC-NEPJUHHUSA-N 405.882 4.887 0 40 HJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@@H]1c1ccc(O)c(OC)c1 6026516 YMNRJSCIXXDPOX-HXUWFJFHSA-N 412.511 4.518 0 40 HJAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)c3cccnc3Cl)n2)cc1 6064350 ZNFWRFHSFMRZAT-GFCCVEGCSA-N 415.902 4.605 0 40 HJAB COc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1Br 6297098 PJRUZUGYCKYHGT-UHFFFAOYSA-N 403.320 4.696 0 40 HJAB COC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1C(C)C 6831969 LSALULZIZOZTCV-HNNXBMFYSA-N 411.527 4.720 0 40 HJAB Cc1nc(SCC(=O)N2CCC(c3nc4ccccc4o3)CC2)c2ccccc2n1 6851400 DALSRZMAXRQYLG-UHFFFAOYSA-N 418.522 4.578 0 40 HJAB C[C@H]1Oc2ccc(NC(=O)c3ccc(-c4nc5ccccc5s4)o3)cc2NC1=O 8015106 SFPWTQJCMANTIW-LLVKDONJSA-N 405.435 4.528 0 40 HJAB CCOc1c(Cl)cc(/C=C/C(=O)N(Cc2ccc(OC)cc2)C2CC2)cc1OC 8164722 YCFTWYYTHQCSFD-KPKJPENVSA-N 415.917 4.960 0 40 HJAB CN(C(=O)COc1ccccc1C(=O)Nc1ccccc1)[C@H]1CCCc2ccccc21 8271620 FOEVUXWZAQDJLT-QHCPKHFHSA-N 414.505 4.854 0 40 HJAB Cc1cc2cc(CN(C[C@H]3CCCO3)C(=S)Nc3ccccc3)c(=O)[nH]c2cc1C 8829037 AYKAGXHVLXPGQH-OAQYLSRUSA-N 421.566 4.523 0 40 HJAB CC(=O)NCCc1ccc(-c2csc(-c3cccc(Br)c3)n2)cc1 8852213 XAVGCBPEIQGDRG-UHFFFAOYSA-N 401.329 4.918 0 40 HJAB CCCC(=O)Nc1cccc(C(=O)Nc2nnc(CCCc3ccccc3)s2)c1 9196942 BNPQCOSORRGMSV-UHFFFAOYSA-N 408.527 4.704 0 40 HJAB Clc1ccc2c(c1)C1=C([C@@H](c3cccs3)O2)[C@@H](c2cccnc2)N2N=CNC2=N1 9309722 SJVUTIAVXGJGJS-WOJBJXKFSA-N 419.897 4.601 0 40 HJAB CCOC(=O)c1cc(CC)sc1NC(=O)Nc1sc(CC)cc1C(=O)OCC 9345569 LDYWVFBECVGDHG-UHFFFAOYSA-N 424.544 4.932 0 40 HJAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1 9707780 XIYAXSQFHAGJCX-UHFFFAOYSA-N 415.323 4.649 0 40 HJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Nc1ccc2c(c1)OCO2 10464370 FZSXMHAYLDMSHT-MRXNPFEDSA-N 417.465 4.893 0 40 HJAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(COc2ccc(Cl)cc2)o1 11689763 CIOXJQLBXVIHLW-UHFFFAOYSA-N 422.868 4.626 0 40 HJAB CC(C)c1nccn1-c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 12401763 SRPNPULVWHGGIY-UHFFFAOYSA-N 420.332 4.559 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2csc(-c3ccsc3)n2)c1 12891624 RTTGIZDBEFTEDM-KRWDZBQOSA-N 400.525 4.866 0 40 HJAB COc1ccc(OCCCC(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc1 12921135 QIHPKRNTJUUSHP-UHFFFAOYSA-N 401.356 4.573 0 40 HJAB Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)nn2)n1 13009931 BTEYYIAVHNGUDA-UHFFFAOYSA-N 417.448 4.806 0 40 HJAB CC1CCN(Cn2nc(-c3ccc(Cl)cc3)n(C[C@@H]3CCCO3)c2=S)CC1 13072661 QSJPYOWCVYUQGU-SFHVURJKSA-N 406.983 4.603 0 40 HJAB O=C(CNc1nc(CSc2ccccc2)nc2sc3c(c12)CCC3)N1CCCC1 14254604 ZASMBXSLFKBVMQ-UHFFFAOYSA-N 424.595 4.507 0 40 HJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCCc3ccccc3F)cc2)o1 14303698 QOZQUMAIUIREEM-UHFFFAOYSA-N 401.441 4.824 0 40 HJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14397721 RUYCQQBWCSLTKL-MRXNPFEDSA-N 402.922 4.893 0 40 HJAB C[C@@H]1CCc2[nH]c3ccc(C(=O)N(C)CC(=O)Nc4ccccc4Cl)cc3c2C1 15388816 XGGZSQGNBCPTAV-CQSZACIVSA-N 409.917 4.657 0 40 HJAB COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(Cl)c1Cl 16129628 GYFICEDPYXIAHK-UHFFFAOYSA-N 411.104 4.565 0 40 HJAB CCc1ccc(-c2nc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cs2)cc1 16145882 GQZQZXGJQSFHMG-UHFFFAOYSA-N 419.550 4.863 0 40 HJAB Fc1ccc(-n2ncc(-c3nnnn3-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 16491904 YTFGNDGQMWCFLW-UHFFFAOYSA-N 416.847 4.975 0 40 HJAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c1 17135473 NDHSJYMHTRFUCR-UHFFFAOYSA-N 400.478 4.606 0 40 HJAB CCOC(=O)[C@H](CC)Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1 17268653 QLGICENLFVWQJC-IBGZPJMESA-N 424.501 4.989 0 40 HJAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 17823257 IZJMFNVVBCQUHM-LJQANCHMSA-N 400.478 4.970 0 40 HJAB Cc1noc2nc([C@H]3CCCN(C(=O)c4cc(C(C)C)on4)C3)cc(C(F)(F)F)c12 19564094 AGGQXRHWONCQKH-LBPRGKRZSA-N 422.407 4.681 0 40 HJAB COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3ccc(F)cc3)oc12 20285559 HJECYVPHIILAHF-BZZOAKBMSA-N 423.465 4.954 0 40 HJAB O=C(Nc1ccncc1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20721975 OEAHHJZRXFGGEM-HSZRJFAPSA-N 411.505 4.773 0 40 HJAB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1cccc(C)c1 20802766 XBUSCVSGKCGURT-FCHUYYIVSA-N 419.525 4.506 0 40 HJAB C[C@@H](NCc1ccccc1-c1ccc(CN(C)C)cc1)C(=O)Nc1ccc(Cl)cn1 25487455 SIUJKDYKPRCYHU-QGZVFWFLSA-N 422.960 4.580 0 40 HJAB Cc1nn(C)c(C)c1NC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1 32675860 SASYRQDVWDBOSS-UHFFFAOYSA-N 401.482 4.776 0 40 HJAB COc1ccc(CC(=O)Nc2cnc(C)n2-c2nc(-c3cccs3)cs2)cc1 35682756 OPDZXNVPBCMZAV-UHFFFAOYSA-N 410.524 4.556 0 40 HJAB CCN(CC)C(=O)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 36646349 ADJSYARSGHQDLH-UHFFFAOYSA-N 402.416 4.760 0 40 HJAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(OCc2ccncc2)cc1 40110586 GDJKFLJSSAQWJF-UHFFFAOYSA-N 411.461 4.778 0 40 HJAB CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 44851589 WTLSHBQSGASLIY-UHFFFAOYSA-N 408.586 4.745 0 40 HJAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1 51364546 HGKMONDLJAKANZ-QGZVFWFLSA-N 414.383 4.744 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)c1C 58412950 SDCROTKIADCETO-UHFFFAOYSA-N 407.514 4.618 0 40 HJAB Cc1nn(C)c2sc(C(=O)N[C@H](Cc3cccc(F)c3)c3cccc(F)c3)cc12 65514703 HMTPGOQXPXBUEV-LJQANCHMSA-N 411.477 4.935 0 40 HJAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cn[nH]c1-c1cccc(Br)c1 72329067 CRQVLXSBVQKUNJ-UHFFFAOYSA-N 424.220 4.788 0 40 HJAB O=C(CCc1cccc(Cl)c1)N1CCC[C@H]1c1ccc(Nc2ncccn2)cn1 72353155 FLMNXRVSZHIAEH-FQEVSTJZSA-N 407.905 4.565 0 40 HJAB O=C(CCc1nc2ccccc2s1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 72396278 QXHADJHOUDTVPV-LJQANCHMSA-N 416.550 4.668 0 40 HJAB COC(=O)c1nc(NC(=O)c2sc(C)nc2-c2ccccc2)sc1C(C)C 72402204 SWIKMWARBNSSOQ-UHFFFAOYSA-N 401.513 4.737 0 40 HJAB COc1ccccc1NC(=O)N[C@H](c1c(C)nn(-c2ccccc2)c1C)C(F)(F)F 78991733 SGXMETIEAVRODS-LJQANCHMSA-N 418.419 4.923 0 40 HJAB CSc1nc2n(n1)[C@@H](c1ccccc1)C(C(=O)Nc1ccc(Cl)cc1)=C(C)N2 80325182 OFNUYQSNTDKCOG-KRWDZBQOSA-N 411.918 4.581 0 40 HJAB CC(C)(C)OC(=O)Nc1cccc(CSc2nncn2CCc2ccccn2)c1 84240847 SKQMABCTMLBJIL-UHFFFAOYSA-N 411.531 4.555 0 40 HJAB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(Br)c1OC 96569775 ODIWTQNHECGZAV-XNTDXEJSSA-N 420.284 4.707 0 40 HJAB CCOc1cc([C@H]2C3=C(O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ncnn32)ccc1O 102666893 XSEYJTCYBFNJAJ-SBUREZEXSA-N 416.481 4.756 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 222603340 CHHAAHSFAHCGPH-FQEVSTJZSA-N 421.368 4.868 0 40 HJAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)sc2c1CCCC2 224045128 ABNPSEXHDJRBIA-CQSZACIVSA-N 413.539 4.698 0 40 HJAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1C 225147786 WWPJJCLFMKFIFP-NHCUHLMSSA-N 406.511 4.509 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(OC)c2ncccc12 225689099 FSDPLSQXDXTDLQ-SFHVURJKSA-N 423.538 4.841 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1NC(=O)c1ccccc1C 408558549 RWQXPUZGWKQXEA-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB O=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 408708399 PUYAXYUTDDFHOO-HXUWFJFHSA-N 418.924 4.641 0 40 HJAB O=C(O)[C@H]1CN[C@@H](c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)S1 408975287 AAMRBZSJEBKTOG-QZTJIDSGSA-N 407.322 4.785 0 40 HJAB O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1Cl 409207193 QHENKUDYMOZCNN-UHFFFAOYSA-N 420.962 4.522 0 40 HJAB O=C(NCC1(c2ccncc2)CCCC1)C1CCN(c2nc3ccccc3s2)CC1 539591656 CXSMMJIRSLPVKZ-UHFFFAOYSA-N 420.582 4.536 0 40 HJAB O=S(=O)(c1ccc(F)cc1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575443044 NUVDAADQFUXINE-UHFFFAOYSA-N 408.458 4.746 0 40 HJAB Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(CCN2c2ncnc3ccccc23)C1 585102352 XWWLXTHGPWBEMG-VWLOTQADSA-N 418.541 4.714 0 40 HJAB CN(Cc1ccccc1CNC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C1CCCCC1 617329392 AZHORCFRUCJQFH-CUFNRJLSSA-N 424.629 4.789 0 40 HJAB CCn1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C)n1 1540327487 FKEPYUDUCSANMO-UHFFFAOYSA-N 416.403 4.735 0 40 HJAB COc1ccc2nc([C@@H](C)NC(=O)c3cc4cc(C(F)(F)F)ccc4n3C)[nH]c2c1 1625749382 SZQUZEPBYIRZET-LLVKDONJSA-N 416.403 4.573 0 40 HJAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)Nc3cccnc3Cl)cc2N1 1009273 MAEAIWSKYLJDKN-NWDGAFQWSA-N 401.820 4.518 0 40 HJAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Br)cn1 1264612 ZMTBMOYNZSXKCT-GORDUTHDSA-N 402.075 4.811 0 40 HJAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 1518243 FLKYZWCADJJPIM-UHFFFAOYSA-N 422.506 4.516 0 40 HJAB CC(=O)c1ccc(NC(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1 2091687 PQVIPJSHSHJINY-UHFFFAOYSA-N 413.429 4.680 0 40 HJAB biogenic CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccc(Cl)cc1 2446829 SCOMMHFNJNOKTJ-UHFFFAOYSA-N 408.861 4.627 0 40 HJAB COc1ccc(NC(=O)[C@H](c2ccccc2)N(CCO)Cc2ccccc2)cc1Cl 3354087 DDFYAVYBHVYDFS-QHCPKHFHSA-N 424.928 4.523 0 40 HJAB O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 4168377 BZDAXARBZUSXCH-IILKOGEXSA-N 402.538 4.892 0 40 HJAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(C)cc3C)c3ccccc32)cc1 4600239 PGIKEPKMVRHAIQ-MHZLTWQESA-N 413.517 4.873 0 40 HJAB COC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 4740105 XJJAFZNGKMUBPU-VOIUYBSRSA-N 410.473 4.942 0 40 HJAB Fc1ccccc1COc1c(Cl)cc(C(=S)N2CCOCC2)cc1Cl 6322923 FGKVBDCDCHGOLY-UHFFFAOYSA-N 400.302 4.719 0 40 HJAB CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCCCCC3)c2c1C 6787623 MRCGBLWDBMTXKG-UHFFFAOYSA-N 416.591 4.543 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCC[C@@H]2CCCC[C@H]21 7329474 AVCVUOYBLQUEQX-PKOBYXMFSA-N 422.554 4.801 0 40 HJAB C#CCOc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 7342953 SHHKZXTTZAQUTB-STZFKDTASA-N 400.459 4.946 0 40 HJAB COc1ccc(-c2nc(CSc3nc(-c4cccs4)n[nH]3)cs2)cc1OC 8719193 ZXJUMRVJOFDMIP-UHFFFAOYSA-N 416.553 4.966 0 40 HJAB Cc1ccccc1N1C[C@H](c2nnc(NC(=O)CCC3CCCCC3)s2)CC1=O 9198691 XOVDBIHRWBWTQB-QGZVFWFLSA-N 412.559 4.666 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(OCc3cscn3)cc2)c(OC)c1 9416880 NKQDBVMNYMQOOU-NRFANRHFSA-N 424.522 4.717 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccccc1F 9632462 XJPPDCHYWVWETI-UHFFFAOYSA-N 419.913 4.519 0 40 HJAB CCn1cc(C(=O)Nc2ccc(C(C)C)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 9661435 QDVOWMJUTYSSFN-UHFFFAOYSA-N 400.482 4.534 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)SC2=Nc3ccccc3[C@H]3CC=NN23)c1C 10276852 WQEYANHTYAACLJ-RHSMWYFYSA-N 424.526 4.547 0 40 HJAB Cc1cccc(Cc2cnc(NC(=O)c3ccc(-n4ccnc4)nc3)s2)c1Cl 12535713 SAMNBLLANDFXQU-UHFFFAOYSA-N 409.902 4.529 0 40 HJAB Cc1occc1C(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 12535928 MXEDBTVLIOQNOC-UHFFFAOYSA-N 424.400 4.660 0 40 HJAB CCCCN(C(=O)c1cc(Br)c(Br)n1C)c1ccccc1 12887951 ZQICKYOGPUZVRL-UHFFFAOYSA-N 414.141 4.997 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 12987068 ORXHHTFICDUUBI-UHFFFAOYSA-N 415.927 4.787 0 40 HJAB O=C(NCCSCc1ccsc1)c1cccc(NC(=O)c2cccs2)c1 13006457 FSDCFIRIQYSENU-UHFFFAOYSA-N 402.566 4.725 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1SCC(=O)NCc1ccco1 13041985 ZQITXQVBPHJEON-UHFFFAOYSA-N 414.914 4.902 0 40 HJAB O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Br)s1 14221161 WPVYUIJFEVJOIG-UHFFFAOYSA-N 420.659 4.984 0 40 HJAB Cc1cc(NC(=O)c2ccc(Br)o2)c(C)cc1I 17092070 PFICYGRFKUXYFE-UHFFFAOYSA-N 420.044 4.516 0 40 HJAB COc1cc2ccccc2cc1C(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 17093002 XOKNXQUASSFWPP-UHFFFAOYSA-N 422.440 4.901 0 40 HJAB CCCCCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1Br 19943262 SQHYAXRQQVJGFN-GASCZTMLSA-N 418.397 4.685 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCCC3)c(Cl)c2)cc1 20112105 LIVFRYDDUAGOBL-UHFFFAOYSA-N 420.962 4.902 0 40 HJAB COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3C[C@@H](C)C[C@H](C)C3)c2c1 20380887 WXAMSEBJRSWLNO-IRXDYDNUSA-N 410.539 4.559 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1CC(F)(F)F 22709505 RIGPURBCMMYHAE-UHFFFAOYSA-N 401.435 4.754 0 40 HJAB COc1ccc(-c2nn3c(NCCc4ccccc4)cc(C)nc3c2C)cc1OC 23118854 LWHZJPWYRQZRBF-UHFFFAOYSA-N 402.498 4.685 0 40 HJAB COc1ccc(-c2cn3c(CCC(=O)N4CCc5ccccc5C4)csc3n2)cc1 23234480 RWPLWCCUXULNBH-UHFFFAOYSA-N 417.534 4.589 0 40 HJAB COc1ccc(C(C)=O)cc1CN1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 26457225 GMKUNUPOZXFUOD-LJQANCHMSA-N 421.324 4.808 0 40 HJAB COc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)ns2)cc1Cl 27793880 AFZQTZWACXFSES-UHFFFAOYSA-N 424.707 4.882 0 40 HJAB Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)cc(=O)c2c1 28289015 JKQUCPHEGWVBLH-HXUWFJFHSA-N 424.928 4.630 0 40 HJAB C[C@H]1CCCN(C(=O)COc2ccccc2-c2noc(/C=C/c3ccc(F)cc3)n2)C1 33325270 PCPYSQZMVFRUDJ-RTGRKSDTSA-N 421.472 4.683 0 40 HJAB COc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4ccc(C)cc4)c3)no2)c1 33327380 JXOGINYMZOITNW-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB CCCCn1c(=O)c2sccc2n2c(SCc3c(F)cccc3Cl)nnc12 35529089 NIGQDCLHDMFGFB-UHFFFAOYSA-N 422.938 4.991 0 40 HJAB O=C1[C@H](CC[C@@H](O)c2ccc(F)cc2)[C@H](c2ccc(O)cc2)N1c1ccc(F)cc1 35644314 OLNTVTPDXPETLC-ZLNRFVROSA-N 409.432 4.888 0 40 HJAB biogenic,in-vitro Cc1cc(OS(=O)(=O)c2ccc(Cl)cc2)n(-c2cc(Cl)ccc2Cl)n1 35686168 KDFAYMDCSVWAPM-UHFFFAOYSA-N 417.701 4.909 0 40 HJAB CC(C)NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1 44088109 PHDIUEPUEMWRCA-UHFFFAOYSA-N 417.481 4.757 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 44842235 JLURRKPULYTRBB-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB Cc1ccc(CSc2nnc3n(Cc4cccs4)c(=O)c4sccc4n23)cc1 45924511 XJMDNNGQZPJTPV-UHFFFAOYSA-N 424.576 4.816 0 40 HJAB C[C@@H](C(=O)Nc1cccc(NC(=O)N2CCC[C@H]2c2ccsc2)c1)n1cccn1 46007147 DPLPYFXLWBGHPW-KXBFYZLASA-N 409.515 4.513 0 40 HJAB O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCC[C@H]1C1CCCCC1 47675113 MLTWJASEJKWUPU-SFHVURJKSA-N 407.440 4.863 0 40 HJAB Cc1cc(O[C@H](C)C(=O)N[C@H](c2ccccc2F)c2nccn2C)ccc1C(C)C 48354125 IFJAOSVAEFTBBH-VGOFRKELSA-N 409.505 4.664 0 40 HJAB O=C(Nc1ccc(OCc2cccs2)cc1)N(Cc1cccnc1)C[C@@H]1CCCO1 58166801 HRRYTEMIAACQHP-NRFANRHFSA-N 423.538 4.935 0 40 HJAB CSc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)cc1 67298232 JKPHANVIJHXBCV-QOCHGBHMSA-N 409.492 4.802 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2N2CCCCCC2)cc1 72216741 QBQLPWAFYIBACY-QFIPXVFZSA-N 413.587 4.686 0 40 HJAB CCCC(=O)N1CCC(Cc2ccc(-c3cccc(C)c3)cc2)(C(=O)N(C)C)CC1 72345226 WXJHMTGJXJEEKQ-UHFFFAOYSA-N 406.570 4.702 0 40 HJAB O=C(CCc1ccc(F)cc1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 72359176 TVYUFIYQUNKGQG-LJQANCHMSA-N 407.464 4.761 0 40 HJAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3cc4cc(C)cc(C)c4n3C)CC1)O2 72390741 YXSPDGLOUFSYCY-UHFFFAOYSA-N 416.521 4.744 0 40 HJAB O=C(Nc1ccc(Oc2cccc3[nH]ccc23)nc1)c1ccc2c(c1)OCCCO2 72405765 SEXBMIQMEFZDGV-UHFFFAOYSA-N 401.422 4.769 0 40 HJAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)o2)n1 79481606 HJOVPWVAPIAJJY-UHFFFAOYSA-N 423.523 4.750 0 40 HJAB Cc1c(CNC(=O)Cc2c[nH]c3ccccc23)sc2nc(-c3ccc(F)cc3)cn12 90593751 YKJQNMVIBXWSAH-UHFFFAOYSA-N 418.497 4.851 0 40 HJAB CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC[C@H](c1ccc(O)cc1O)C2=O 96111560 JFNOODAWRZYNPU-GOSISDBHSA-N 422.477 4.855 0 40 HJAB biogenic,in-vitro O=C(c1ccccc1)c1ccc(CNC(=O)c2ccccc2Br)s1 96119871 IVNGYDAGOUAYKL-UHFFFAOYSA-N 400.297 4.672 0 40 HJAB CC1=C[C@@H](CN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 96617451 LGKRCSMESNCLNG-ZJOUEHCJSA-N 413.537 4.605 0 40 HJAB biogenic,in-vitro O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)Nc1ccc(F)c(Cl)c1 98211329 ZQBDSOSFWZTNBE-UHFFFAOYSA-N 414.799 4.775 0 40 HJAB CCCCCOc1cccc(C(=O)/N=c2\sc3cc(C)ccc3n2CCOC)c1 100872372 OBWCWWMBHXOXSV-VHXPQNKSSA-N 412.555 4.968 0 40 HJAB C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N1[C@@H](C)CCC[C@@H]1C 103268229 LSECTTZCWRMBDU-DCAQKATOSA-N 420.888 4.672 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 222626094 WVVRQUCPKVFJIB-QPPBQGQZSA-N 408.586 4.611 0 40 HJAB Cc1cccc(CN(C(=O)CSCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222713736 GCTBLXMSPQRGOG-IBGZPJMESA-N 412.599 4.560 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccn(-c4ccc(OC)cc4)c3)N21 222719097 FQVHLDJHDHTFCU-VOQZNFBZSA-N 404.539 4.860 0 40 HJAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl 222730785 AYRSIOCBUMMQML-MSOLQXFVSA-N 403.338 4.781 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 222782812 QLWHAFDKDWPPFG-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB Cc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCC(C)CC4)cc3)s2)cc1 222878539 INUXYXIDPVWRJQ-UHFFFAOYSA-N 406.555 4.998 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 224585887 BVBJAFHYYJEITR-DEOSSOPVSA-N 408.586 4.734 0 40 HJAB CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OC)c(Br)c1 224882114 HASIRJJPCMYDDO-UHFFFAOYSA-N 418.740 4.635 0 40 HJAB CC(C)c1ccc(OCC(=O)NCCSC2CCCC2)c(Br)c1 225141956 BZNKIKGROHWTMM-UHFFFAOYSA-N 400.382 4.743 0 40 HJAB Cc1ccc([C@@H](NC(=S)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc2)cc1 225512362 TYTZIIUFOJXBJP-QFIPXVFZSA-N 403.551 4.773 0 40 HJAB COc1cc(Cl)nc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 225923029 XQMAGWVLKWKZBB-UHFFFAOYSA-N 409.298 4.539 0 40 HJAB CCCCc1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 408708222 HROPBKYVTLZLRA-UHFFFAOYSA-N 400.522 4.916 0 40 HJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)CCCc3ccccc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409108630 XUPYUGIJLWHZTA-CBGDNZLLSA-N 410.480 4.921 0 40 HJAB O=C(Oc1ccc(-c2nc(=O)c3ccccc3[nH]2)cc1)c1cccc(Br)c1 409269130 FSLWMLZFEIRMNK-UHFFFAOYSA-N 421.250 4.572 0 40 HJAB CNC(=O)c1cc(NC(=O)N2CC=C(c3ccccc3Cl)CC2)ccc1Cl 509701754 XMSBBEDTVBPSNA-UHFFFAOYSA-N 404.297 4.674 0 40 HJAB CCC1=NN(C(=O)c2cccc(Cl)c2)[C@@](O)(c2ccc(Br)cc2)C1 799703 WPAWQEGOUWEAES-SFHVURJKSA-N 407.695 4.560 0 40 HJAB O=C(COc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O)NC1CCCCC1 937798 GZISVCLKOQSMCP-UHFFFAOYSA-N 411.885 4.941 0 40 HJAB COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)c1 2411397 BGOYGWDZGLBOFY-FQEVSTJZSA-N 421.836 4.793 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(Br)cc1F 2651772 SWDLJAHGAKFSOW-UHFFFAOYSA-N 402.647 4.576 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 2694511 KQGUJLKRIDICIT-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3sc(C(N)=O)c(N)c23)cc1 2890777 SKAWKEKLGVFRKT-UHFFFAOYSA-N 409.898 4.973 0 40 HJAB CC(C)CNC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3332089 SWHVALULCBEUGH-UHFFFAOYSA-N 402.903 4.546 0 40 HJAB Cc1cccc(-c2nc3s/c(=C\c4ccc(-c5ccc(Cl)cc5)o4)c(=O)n3n2)c1 3637119 MIPFEVIXWHBCFP-UNOMPAQXSA-N 419.893 4.588 0 40 HJAB CCOC(=O)[C@@](NC(=O)Nc1ccc(F)c(Cl)c1)(c1ccccc1)C(F)(F)F 4208168 QXTCNYOKLLAOPD-KRWDZBQOSA-N 418.774 4.622 0 40 HJAB Cc1ccccc1-n1cnnc1SCC(=O)N1CC[C@@H](C)Sc2ccccc21 4510136 ZNDGLTVYNHHYND-MRXNPFEDSA-N 410.568 4.585 0 40 HJAB CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 4518030 MVUXKZLWKHOUFS-UHFFFAOYSA-N 408.504 4.619 0 40 HJAB O=C(CSc1nnc(C2CCCCC2)n1-n1cccc1)Nc1ccc(Cl)cc1 4518685 LLDBFJQEJYBTSN-UHFFFAOYSA-N 415.950 4.823 0 40 HJAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(Br)cc1 4679264 HJISFDNZEAYUIQ-UHFFFAOYSA-N 404.283 4.710 0 40 HJAB Cc1cc(C)c(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c(C)c1 5137592 BKBRHQXCUHPKEH-UHFFFAOYSA-N 420.987 4.910 0 40 HJAB COc1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)c(OC)c1 5274738 WWHQWGJOOZBLBF-CWTRNNRKSA-N 400.544 4.770 0 40 HJAB COc1ccc([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CCCC2)cc1 6113789 UFKISMZMGJGAAP-VWLOTQADSA-N 414.549 4.780 0 40 HJAB biogenic C=C/C(=C\C=C/C)NC(=S)NCc1cccc(CNC(=S)Nc2ccccc2)c1 6238009 QHBKVMRUIZWMJY-PPCLULBISA-N 422.623 4.783 0 40 HJAB Cc1n[nH]c(S/C(=C\c2cccc(OCc3ccccc3Cl)c2)C(=O)O)n1 6588330 FXIGNZYVHLTIKG-YVLHZVERSA-N 401.875 4.563 0 40 HJAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)NCC(F)(F)F)nc2c1 6589450 SJKMQMOKVOWVRC-UHFFFAOYSA-N 406.429 4.681 0 40 HJAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)o1 7605353 KAAGBJAWRODQBX-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nccs1)[C@@H]3c1cccc(Cl)c1 9042514 NEADCLZCHMNFRM-QGZVFWFLSA-N 424.865 4.661 0 40 HJAB O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCCc2ccccc21 9156481 PUKQVABSGOUXBJ-UHFFFAOYSA-N 404.535 4.845 0 40 HJAB COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCCC2)c1 9191014 QTNUKZRCBYJIIN-UHFFFAOYSA-N 404.510 4.820 0 40 HJAB COc1cccc2cc(-c3nnc(SCC(=O)Nc4cc(C)cc(C)c4)n3C)oc12 9260607 WHBSHDKGNSLFTM-UHFFFAOYSA-N 422.510 4.585 0 40 HJAB CC(C)c1ccc(NC(=O)Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)cc1 9327581 KSEVFRMYZGMAEX-UHFFFAOYSA-N 420.900 4.579 0 40 HJAB O=C(COc1ccc(C2SCCCS2)cc1)NCCCOc1ccccc1 11089781 DBPIEUHKKPKTHZ-UHFFFAOYSA-N 403.569 4.519 0 40 HJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(O)c(OCc2ccccc2)cn1 12168135 PLGYFBHKOOKQJC-UHFFFAOYSA-N 404.344 4.517 0 40 HJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(OC)c(Cl)c1)O[C@H](C)C2 12555667 PQJFIFLOMCMIHW-OLZOCXBDSA-N 404.894 4.510 0 40 HJAB Cc1ncccc1C(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C(C)C)cs1 12738295 QTVKBJBXTJXFNA-UHFFFAOYSA-N 420.538 4.701 0 40 HJAB CC(=O)c1c(C)nc(C)nc1SCCCC(=O)c1ccc(Br)cc1 12763777 FXTADWZHTRDQQN-UHFFFAOYSA-N 407.333 4.814 0 40 HJAB COc1ccc(CC(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1OC 12775746 KSQYJVSLGSUCJB-QYVVGCJJSA-N 413.517 4.660 0 40 HJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 12821222 ZOZYRXMBWGLDLH-NSHDSACASA-N 410.367 4.599 0 40 HJAB CCOC(=O)c1sc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)nc1C 13140972 VUZDSTZWBKNYKP-UHFFFAOYSA-N 400.500 4.987 0 40 HJAB O=C(Cc1ccsc1)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 13266695 CJSMVOHUZRKCLF-UHFFFAOYSA-N 423.563 4.742 0 40 HJAB COc1cc(CNC2CCCCCCC2)ccc1Oc1nnnn1-c1ccccc1 13845289 DJVAGTDWIGQORM-UHFFFAOYSA-N 407.518 4.666 0 40 HJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(C)cc2C)CC1=O 14095521 MUTOVCUSNXWLCC-FQEVSTJZSA-N 405.542 4.848 0 40 HJAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1 14831539 XGWBJFOIOQDXEE-UHFFFAOYSA-N 424.353 4.788 0 40 HJAB Cc1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)c2ccccn2)cc1 15669875 GBIWSIDOQMCRBK-UHFFFAOYSA-N 404.853 4.997 0 40 HJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1cc2ccccc2oc1=O 17178183 GHHODHPSGIAEDU-UHFFFAOYSA-N 424.456 4.638 0 40 HJAB O=C(C1CCCC1)N1CCO[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19692841 PQLHRDNQOWLQBP-OAQYLSRUSA-N 418.459 4.781 0 40 HJAB Cc1nc2ccccc2n1CCCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 19719281 YDBNHXJHTLKZNI-NRFANRHFSA-N 419.525 4.650 0 40 HJAB Clc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCc3ccccc3C2)cc1 20121027 PPIJUGQMUCPMAA-HSZRJFAPSA-N 415.928 4.523 0 40 HJAB CCOc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1OC 20151145 HAFYEDOVYWHPFO-WUXMJOGZSA-N 423.465 4.507 0 40 HJAB COc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 22107592 VVKLBOPOWVGVDO-IBGZPJMESA-N 403.931 4.812 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 22503207 BPAHUKLNRRYUHL-UHFFFAOYSA-N 415.449 4.652 0 40 HJAB CCc1ccc(-c2nc(CC(=O)N(CC)Cc3ccc(OC)c(OC)c3)cs2)cc1 23326028 IGTMFLAIZICNMJ-UHFFFAOYSA-N 424.566 4.981 0 40 HJAB CCCCN(C)C[C@H](C(C)=O)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841661 OEHWJTHJYQHSRA-IFMALSPDSA-N 407.510 4.568 0 40 HJAB Cc1nc(-c2cccc(NC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)c2)cs1 32675946 HAPQNXHSNGCUMX-KXBFYZLASA-N 405.523 4.667 0 40 HJAB O=C(CNC(=O)c1ccco1)Nc1nc(-c2cccs2)c(-c2cccs2)s1 32902185 DECDBDALVJMXTQ-UHFFFAOYSA-N 415.521 4.562 0 40 HJAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(OC(C)C)c(OC)c2)cc1 36357106 UYTACBIGITZACQ-SFHVURJKSA-N 407.470 4.800 0 40 HJAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 36392883 NWRXNMYTDILGMJ-QGZVFWFLSA-N 413.949 4.869 0 40 HJAB CCC(C)(C)c1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c(Cl)c1 42783128 GTPIAVOUBNDUMQ-HOCLYGCPSA-N 411.926 4.869 0 40 HJAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 44408224 SPLRYQBIIXAWSV-BQFCYCMXSA-N 415.452 4.563 0 40 HJAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1Cl 44939890 ACIXMBDGCNJSNW-UHFFFAOYSA-N 418.896 4.507 0 40 HJAB O=c1ccn(-c2ccccc2)nc1-c1nc(-c2ccccc2OCc2ccccc2)no1 49006317 WGCORNUFHXGRMH-UHFFFAOYSA-N 422.444 4.529 0 40 HJAB Cc1noc(C)c1CC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F 54211575 SUSXPLBDGYZNTH-HXUWFJFHSA-N 417.278 4.641 0 40 HJAB O=C(Nc1cc(NC(=O)N2CCO[C@@H]3CCCC[C@H]32)ccc1F)C1CCCCC1 58158844 ABISGOLJCRDKNP-WOJBJXKFSA-N 403.498 4.520 0 40 HJAB O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 72330438 AHYXWHRDNZKYSF-BWKNWUBXSA-N 409.549 4.871 0 40 HJAB Cn1ccnc1CN1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358137 ILTPZLXLKLKKJJ-FQEVSTJZSA-N 400.448 4.762 0 40 HJAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)c3cc(C4CCCCC4)no3)ccc12 72374540 HDGCJIFQZFFCML-LJQANCHMSA-N 422.533 4.791 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCN2C(=O)c2cc(C(C)C)no2)n1 72390623 MSKYMRNIDMITRO-IBGZPJMESA-N 405.502 4.580 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)c1 95481643 URUPRDYDVPAPQT-CQSZACIVSA-N 401.919 4.838 0 40 HJAB O=C(NCc1ccccn1)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1 96266493 VBALZHQEGCXIKQ-UHFFFAOYSA-N 414.396 4.614 0 40 HJAB COc1ccccc1-c1c(C)nn2c(=O)cc(CSc3ccc(Cl)cc3)[nH]c12 100071932 IHBCDEJRHZJPFT-UHFFFAOYSA-N 411.914 4.952 0 40 HJAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc2nc(C(F)(F)F)[nH]c2c1 141576797 ZTKBEAKESCDUJZ-UHFFFAOYSA-N 408.468 4.500 0 40 HJAB COc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)c(C)c1 222839242 OJKGJTORJLTEOQ-HSZRJFAPSA-N 409.551 4.997 0 40 HJAB COC(=O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 222857000 JAGKPDWHFLODPV-SFTDATJTSA-N 421.522 4.509 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1cccnc1 222907904 LYXPKHFAEPVAAB-GOTSBHOMSA-N 419.598 4.572 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 223177617 LOTOWSZTYWGBRT-LJQANCHMSA-N 414.977 4.833 0 40 HJAB CC(C)(C)c1ccc(-c2noc(CNC(=O)Cc3ccc(Cl)cc3F)n2)cc1 223284737 HZYRWSPHCBGGQK-UHFFFAOYSA-N 401.869 4.686 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 223447606 XZPRQJMICKUDJX-FQEVSTJZSA-N 418.940 4.744 0 40 HJAB Cc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224028024 LVXZLRAVOWDVOC-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCCc1ccc(OCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 224481917 GJJXIWKWPWKLDM-UHFFFAOYSA-N 411.523 4.789 0 40 HJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 224556350 YZUSAHMMKFINIU-UHFFFAOYSA-N 406.935 4.968 0 40 HJAB CCOc1cccc(NC(=S)NC2(c3ccc(OC)c(OC)c3)CCCC2)c1 225862315 FHRSZEACXSEHMF-UHFFFAOYSA-N 400.544 4.858 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)(C)Cc3ccccc3)c2)cc1 225863937 QKSKNJRYWPJJSN-UHFFFAOYSA-N 422.550 4.547 0 40 HJAB COC(=O)c1cccc(-c2nc3cc(Br)cc(Br)c3[nH]2)c1 226343902 LWXRZHYBQJYVKC-UHFFFAOYSA-N 410.065 4.542 0 40 HJAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3ccccc3OC)o2)c1 257206189 BCGFKJMCMQJLJG-OAQYLSRUSA-N 406.482 4.650 0 40 HJAB COc1ccc2[nH]c(C(=O)N3CCC[C@H](c4ncc(Cc5ccccc5)o4)C3)cc2c1 257264666 LVNJDDMOMCRNAT-SFHVURJKSA-N 415.493 4.775 0 40 HJAB COc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)O)o3)n2)cc1 408558659 VCOQVNRXTGNLCH-UHFFFAOYSA-N 410.373 4.755 0 40 HJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(C)C)C2=O)c1 408600118 UUGVUTLZGIBHJW-UDWIEESQSA-N 424.522 4.705 0 40 HJAB CCC(=O)Nc1cc(OC)c(C(=O)O[C@H](CC)C(=O)c2ccccc2)cc1Cl 409181951 GZQNNSHCOXTDKY-QGZVFWFLSA-N 403.862 4.515 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(C)C2=O)cc1OCc1c(F)cccc1Cl 409340880 BUQJEDDCCDLIBC-RQZCQDPDSA-N 407.850 4.733 0 40 HJAB CC(C)CN(CC(=O)O)C(=O)c1ccc2c(c1)C[C@@](C)(Cc1ccc(C(C)C)cc1)O2 585267640 RDDUQZGGHWCRTG-AREMUKBSSA-N 423.553 4.929 0 40 HJAB O=C(NCCc1nc2ccccc2n1CCCOc1ccccc1Cl)C1=CC=CC1 1772765527 YJLVUHRRQIPGHI-UHFFFAOYSA-N 421.928 4.704 0 40 HJAB CC(C)C[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)CC[C@H]1Nc1cccc(F)c1 1848357363 OCZSLPZNLQCGGP-WMZHIEFXSA-N 418.578 4.578 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccccc1OC 793552 PXEPHSRPBDSLMZ-UHFFFAOYSA-N 416.934 4.666 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccn3)n2-c2ccccc2)cc1 997643 LPORCCAQHWHNHX-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB Cc1ccccc1OCc1nnc(SCc2cc(=O)[nH]c3c(C)c(C)ccc23)o1 1221478 WFMQCGOPKFBOBR-UHFFFAOYSA-N 407.495 4.708 0 40 HJAB CCCN(C(=O)COc1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)s1 1345489 ZODALPKBVUXUFP-UHFFFAOYSA-N 405.882 4.820 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1C=CC(C(F)(F)Cl)=NCC1 1396101 GZYNUPOCEUDFFT-UHFFFAOYSA-N 400.212 4.546 0 40 HJAB Cc1cc(Cl)ccc1NC1=NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S1 1623211 GRONYOZLTKWDIM-HNNXBMFYSA-N 408.310 4.741 0 40 HJAB CCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OCC 2110640 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CN(C)CCCn1cnc2c(c1=N)[C@H](c1ccccc1)c1ccc3ccccc3c1O2 5348406 XKIJFVOBHVZJJC-JOCHJYFZSA-N 410.521 4.753 0 40 HJAB CC[C@H]1CCCCN1C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 5506230 GMGIKUOYOMRXLW-INIZCTEOSA-N 408.523 4.911 0 40 HJAB Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1Cc1cccs1 6097474 DFBLOOOOEDXOBS-UHFFFAOYSA-N 400.573 4.508 0 40 HJAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1ccncc1 6744686 DCXLYLFDYRDMHY-JOCHJYFZSA-N 416.868 4.576 0 40 HJAB CCNC(=O)[C@@H](C)Sc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 6930305 SCVPREDNOPYILO-CYBMUJFWSA-N 407.461 4.720 0 40 HJAB CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 7814406 HMZLRYQVDCHOTL-VFNWGFHPSA-N 403.906 4.782 0 40 HJAB COc1ccc(CCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1 7967085 JYJNOSVSCVHSQX-UHFFFAOYSA-N 413.473 4.750 0 40 HJAB CCOc1ccccc1OCCC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8230937 RDYQXALRSAYFRE-UHFFFAOYSA-N 407.495 4.869 0 40 HJAB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 8710578 GJTLXKGMMKEKIS-NWDGAFQWSA-N 424.328 4.638 0 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O=C(CSc1ncnc2ccccc12)NCc1ccc(-c2ccc(Cl)cc2)o1 9995211 GSDUJMOHZSGTCG-UHFFFAOYSA-N 409.898 4.952 0 40 HJAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cccc(F)c4)cc3C[C@@H]2C)cc1 10326634 YVUGIIKFVVFFLJ-INIZCTEOSA-N 424.497 4.526 0 40 HJAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21 10972175 JIPGJLVJFVQYSZ-UHFFFAOYSA-N 406.404 4.729 0 40 HJAB Cc1ccc2c(CSc3nnc(COc4ccc(F)cc4)o3)cc(=O)oc2c1C 11195380 BKJUPYNAZDBPBO-UHFFFAOYSA-N 412.442 4.803 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCc1nc2ccccc2[nH]1 11486249 QWAPNBLGKKKMHM-UHFFFAOYSA-N 412.852 4.681 0 40 HJAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3ccc4nnc(-c5cccnc5)n4n3)c2)c1 11665552 MBCAJJWPKYLKJG-UHFFFAOYSA-N 420.476 4.722 0 40 HJAB O=S(=O)(Oc1cccc2cccnc12)c1ccc(Br)c2ccccc12 12290991 ZLUCEQPJXVWVRK-UHFFFAOYSA-N 414.280 4.918 0 40 HJAB COc1cc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc(Cl)c1OC(C)C 12541489 XYLJKWBCILKLIB-OAHLLOKOSA-N 413.905 4.813 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)c4cc(F)ccc4F)c(=O)c23)s1 12971606 KJHCXDIPFVCQJL-UHFFFAOYSA-N 402.447 4.656 0 40 HJAB COc1cc(/C=C(\Cl)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc(OC)c1 13039403 ALALSXHJFLXOOB-WIWNTQSISA-N 416.930 4.864 0 40 HJAB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)c2ccoc2)cs1 14196943 LMSLRQTYPMYUOS-UHFFFAOYSA-N 410.373 4.797 0 40 HJAB COc1ccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CCN(Cc4ccccc4Cl)C[C@H]23)cc1 19557750 BLNXQZPJQDZPMJ-CQOQZXRMSA-N 424.972 4.575 0 40 HJAB CCOc1ccc(CCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1OCC 20107865 KIKXLMWDNUCXQX-UHFFFAOYSA-N 413.558 4.953 0 40 HJAB COc1cc(C(=O)Nc2ccnn2Cc2ccccc2Cl)cc(Cl)c1OC 21907365 SPLMPHHKPJOVFH-UHFFFAOYSA-N 406.269 4.508 0 40 HJAB CN(C)C(=O)c1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)c1 22510156 HKRPLQRJSNEFGZ-UHFFFAOYSA-N 408.885 4.726 0 40 HJAB CCc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCC(C)CC2)cc1 22573980 XPRPSFUBJIQOOP-UHFFFAOYSA-N 424.566 4.875 0 40 HJAB O=C(C1=Cc2ccccc2OC1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 26791494 WDCGBHDAZWTWJY-UHFFFAOYSA-N 405.475 4.529 0 40 HJAB Cc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)cc1 27749324 GBEJYVRGBWUGOS-JOCHJYFZSA-N 400.950 4.761 0 40 HJAB Cc1cccc(-n2ncc3c2N=C(O)C[C@]32C(=O)N(CC(C)C)c3ccccc32)c1C 32090879 QHZVYTAUJPFNBW-RUZDIDTESA-N 414.509 4.770 0 40 HJAB CC(C)n1ncc2cc(NC(=O)c3ccccc3C(=O)c3ccc(F)cc3)cnc21 32754581 KAIQNGDCJCLHTI-UHFFFAOYSA-N 402.429 4.635 0 40 HJAB O=C(CSCc1ccccc1)Nc1ccnn1Cc1ccccc1Br 32842176 UOBAZQAYYWVEBC-UHFFFAOYSA-N 416.344 4.566 0 40 HJAB CC(C)Oc1ccc(-c2noc(CSc3nc(O)cc(-c4ccccc4)n3)n2)cc1 38654251 SOMWZHUREFMQAL-UHFFFAOYSA-N 420.494 4.979 0 40 HJAB COC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 38835142 GSMKMJIRNZMYSQ-UHFFFAOYSA-N 421.324 4.631 0 40 HJAB CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccc(F)c(Cl)c1 41076923 XAFIPWNBGSIIAE-UHFFFAOYSA-N 401.869 4.991 0 40 HJAB Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2C)no1 44086700 KCGVKQYBBZMJSY-UHFFFAOYSA-N 404.495 4.875 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1C 55374207 GGRRMLQAMKZGQY-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc(C(F)(F)F)c1 60238208 FZCOZXMZHVJQPP-UHFFFAOYSA-N 422.410 4.883 0 40 HJAB CC(C)(C)c1ccc(Cn2c(=O)n(-c3ccccc3F)c(=O)c3sccc32)cc1 67258202 DLEHKHUUCUIQIJ-UHFFFAOYSA-N 408.498 4.699 0 40 HJAB CCc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c1 67292761 ISDKSBFHNHUBIM-HGFVNXKRSA-N 410.901 4.790 0 40 HJAB O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1 72330461 RUFPBGWSYMMBBG-NVQXNPDNSA-N 417.528 4.533 0 40 HJAB O=C(CCc1cccc(Cl)c1)N1CCC[C@@H]1c1ccc(Nc2ncccn2)cn1 72353154 FLMNXRVSZHIAEH-HXUWFJFHSA-N 407.905 4.565 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4Cl)[C@H]3C2=O)cc1 101074401 CNTPOBMIWIPEHC-VSKRKVRLSA-N 418.880 4.700 0 40 HJAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)Nc1ccc(Cl)cc1F 101354199 VNRZIAHXJAOTAV-UHFFFAOYSA-N 421.859 4.975 0 40 HJAB O=C(COc1cccc2ccccc12)Nc1ccccc1C(=O)N1CCCCCC1 218910574 IRYVQXBAUQGITK-UHFFFAOYSA-N 402.494 4.874 0 40 HJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(OC)c3)N21 222707756 BPYKJIXIZMHSQF-KNXBSLHKSA-N 404.539 4.860 0 40 HJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 223004034 RKEWMBPZBBGTMO-LJQANCHMSA-N 413.905 4.823 0 40 HJAB C[C@@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 223840776 MEKODHPYMZBYTG-KIJZHVTOSA-N 405.519 4.508 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 224140703 JPTVZVFDLABYRV-XMMPIXPASA-N 422.569 4.712 0 40 HJAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(Cc2ccncc2)cc1 224180104 LIOYMZPWKAZXGW-UHFFFAOYSA-N 407.322 4.921 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 225073481 BZVOUXQYPPCKBZ-JOCHJYFZSA-N 412.599 4.811 0 40 HJAB CC(C)CSc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 225076254 NNHYVYGCQLXLPD-UHFFFAOYSA-N 406.758 4.954 0 40 HJAB Cc1cc(C)n(Cc2ccc(C(=O)NCCSCc3ccccc3Cl)cc2)n1 225286334 RJPOHXMCOFTMHQ-UHFFFAOYSA-N 413.974 4.865 0 40 HJAB O=C(CCc1ccccc1)N1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 257224939 FEAXYMIMNSVBCQ-XMMPIXPASA-N 420.940 4.859 0 40 HJAB CCCC(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)NC(C)C)CC1 257233084 GNRZKXSNBRIQRN-UHFFFAOYSA-N 412.599 4.891 0 40 HJAB CCc1ncc(CNC[C@H]2CC[C@H](c3c(C(=O)NC)sc4ccccc43)CC2)cn1 257243377 IGQWZGFASVVWQR-SAABIXHNSA-N 422.598 4.677 0 40 HJAB CC1=NN(C(=O)COc2ccc(C3CCCCC3)cc2)[C@@](O)(c2ccc(C)cc2)C1 408563259 KGRUWIRUYBLMRH-VWLOTQADSA-N 406.526 4.875 0 40 HJAB COCCCN1C(=O)S/C(=C/c2ccc(-c3cccc(Br)c3)o2)C1=O 409221543 RTOFKGCPFLGBIL-LFIBNONCSA-N 422.300 4.782 0 40 HJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(C)Cc1cc(Br)ccc1F 1125743346 GUHJZNFUMUWLRR-GFCCVEGCSA-N 414.702 4.976 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc(F)cc1 682896 GDDMFGJMPGEBRD-SECBINFHSA-N 417.072 4.757 0 40 HJAB CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl 717907 CLUIFIYJPFSGHT-KRWDZBQOSA-N 405.281 4.664 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3ccccc3O)c3ccccc3n2)cc1OC 798317 BORFWCAWZDSKHR-UHFFFAOYSA-N 400.434 4.877 0 40 HJAB CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H]1CCc2ccccc2C1=O 916887 KNRDFPKLWOKZGA-SFHVURJKSA-N 413.930 4.820 0 40 HJAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cc(Cl)ccc1OC 949593 JVCFYPVYTBZHBW-UHFFFAOYSA-N 414.845 4.604 0 40 HJAB O=C(C[C@]1(O)C(=O)N(Cc2ccc3ccccc3c2)c2ccccc21)c1ccccc1 1320507 KNMRAHSETZJVGI-HHHXNRCGSA-N 407.469 4.847 0 40 HJAB CC(C)c1nc(SCC(=O)Nc2nccs2)c2c3c(sc2n1)CCCC3 1378858 KVGLDUVDWUZHCI-UHFFFAOYSA-N 404.586 4.881 0 40 HJAB CCN(CC)C(=O)CSc1ccccc1C(=O)NCc1ccc(C(C)(C)C)cc1 1426033 ZSCDPKUQJSXSFW-UHFFFAOYSA-N 412.599 4.875 0 40 HJAB CCCCOc1ccccc1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O 2191930 YRQSTAJYRQLRCK-UHFFFAOYSA-N 408.498 4.661 0 40 HJAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 2450232 XMVCVQCIHZPDJF-UHFFFAOYSA-N 410.543 4.519 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1F 2450734 ZRLNJSQVKLXGDQ-UHFFFAOYSA-N 412.534 4.958 0 40 HJAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(NCCCN(C)C)ncnc32)cc1 2715245 YNFHIJMUVMJIMN-UHFFFAOYSA-N 415.541 4.850 0 40 HJAB O=C(N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccccc1 3123260 CNTPSCCTSNBNEI-CQSZACIVSA-N 422.537 4.987 0 40 HJAB CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 3331504 ZRUDBHKCXXEPJT-UHFFFAOYSA-N 416.223 4.972 0 40 HJAB CCCN(CC(=O)Nc1cccc(C)c1)CC(=O)Nc1cc(Cl)ccc1Cl 3345670 IJINTNJJWBBOHZ-UHFFFAOYSA-N 408.329 4.591 0 40 HJAB Cc1cc(-c2csc(NC[C@@H]3CCCO3)n2)c(C)n1Cc1ccc2c(c1)OCO2 3437012 PPDSBGBXHZRHRH-KRWDZBQOSA-N 411.527 4.596 0 40 HJAB COc1ccc(-c2nnc(SCCOc3ccc(Br)cc3)o2)cc1 3458876 IWHJFFGTAIVBEB-UHFFFAOYSA-N 407.289 4.679 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCCCC3)cc1C 4315195 OXAFUVUEHPPVMS-UHFFFAOYSA-N 421.516 4.763 0 40 HJAB CC(=O)N1c2ccccc2C([C@H](O)CN2CCC[C@H]3CCCC[C@@H]32)c2ccccc21 4416115 HWZXWPXTTVBZTK-RZTXVSJASA-N 404.554 4.832 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)cc2)cc1 4715824 QSAUBTCGSFZJBA-WIOPSUGQSA-N 416.477 4.955 0 40 HJAB O=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccccc1Br 5137504 SLODXWFJTWAVAA-UHFFFAOYSA-N 405.292 4.684 0 40 HJAB CN(C)CCCN(C(=O)CSc1ccc(F)cc1)c1nc2ccccc2s1 5239547 AORVRYKJFVIYQS-UHFFFAOYSA-N 403.548 4.512 0 40 HJAB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 5753723 SODNTYOVNNMMJL-GOSISDBHSA-N 404.297 4.877 0 40 HJAB Cc1nc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)n(C2CCCCC2)c1C 6973361 IBYGIYVCPWKRMQ-MRXNPFEDSA-N 415.559 4.531 0 40 HJAB COc1ccccc1NC(=O)[C@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 7160856 KTLQIPYQLFNVMK-NSHDSACASA-N 407.417 4.777 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccccc2Cl)cc1 7383917 MXZIUGOUQBNMAD-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1ccc2c(c1)OCCCO2 7501298 RYXOYUITQBBNRS-CQSZACIVSA-N 414.552 4.769 0 40 HJAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)cc1 9403972 SIVAITWGRFMDGS-UHFFFAOYSA-N 423.519 4.670 0 40 HJAB COc1ccc(-n2c(SCC(=O)Nc3cccnc3Cl)nc3ccccc32)cc1 9631389 OSFJIVLPSFVJSO-UHFFFAOYSA-N 424.913 4.813 0 40 HJAB O=c1nc(SCc2ccc(C(F)(F)F)cc2)c2c(n1C[C@H]1CCCO1)CCCC2 10255552 GAUICXRBYBLAID-MRXNPFEDSA-N 424.488 4.612 0 40 HJAB C[C@@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)N[C@H]1CCCc2ccccc21 10563305 VNMYNGAWEQBGEC-VGSWGCGISA-N 419.477 4.598 0 40 HJAB Cn1ncc(Cl)c1C(=O)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)no1 12119698 YAYFQXHMUBJGQN-KRWDZBQOSA-N 402.857 4.625 0 40 HJAB CCCc1noc([C@H](C)Sc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)n1 12522250 RIAPGIDGQVDCTE-ZDUSSCGKSA-N 418.954 4.710 0 40 HJAB CC(=O)c1ccc(NCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)cc1 12534013 KDIQIGVDRBHOGX-NRFANRHFSA-N 421.884 4.925 0 40 HJAB COc1ccc2cc(CN(C)C(=O)/C=C/c3ccc4c(c3)OCCCO4)ccc2c1 12567394 YVLXMPZQQXRLAX-IZZDOVSWSA-N 403.478 4.682 0 40 HJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(I)cc1 12993468 ADWVHGXERHSJNT-NSHDSACASA-N 422.291 4.734 0 40 HJAB COc1cc2c(cc1NC(=O)[C@@H]1CCCN(C(=O)c3ccco3)C1)oc1ccccc12 13005975 PIEJGSJFBOMTPE-OAHLLOKOSA-N 418.449 4.679 0 40 HJAB CC(C)[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(=O)N[C@@H]1CCCc2ccccc21 13548454 BZZNNEANKNPIGA-SMIHKQSGSA-N 419.569 4.582 0 40 HJAB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1 13566938 FRQIHMGZHYBILI-UHFFFAOYSA-N 421.478 4.541 0 40 HJAB CCc1cccc2c(C(=O)CSc3nnc(-c4ccc(OC)cc4OC)o3)c[nH]c12 14125963 LOQXVNBOHBBRGH-UHFFFAOYSA-N 423.494 4.773 0 40 HJAB O=C(COc1ccccc1-c1ccccc1)Nc1ccccc1C(=O)N1CCCC1 14168288 RLGOOJDWVYZKAU-UHFFFAOYSA-N 400.478 4.607 0 40 HJAB O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(OC[C@@H]2CCCO2)cc1 14807247 NAHWOPCGAYVXPR-IBGZPJMESA-N 413.857 4.910 0 40 HJAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@@H]2COc3ccccc3O2)cc1 14866808 YTFAPANCYSAVCI-NRFANRHFSA-N 411.841 4.919 0 40 HJAB Cc1cccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(=O)(=O)c2ccccc2)c1 15398148 ODEMTBWELINEJM-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB COc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c1 16960414 KZJLQWMEZXXSTA-UHFFFAOYSA-N 424.913 4.789 0 40 HJAB CC(C)C(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19085521 YREROIHMQNIPGF-LJQANCHMSA-N 401.514 4.644 0 40 HJAB O=C(c1ccccc1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccsc3)CC[C@H]21 19368943 CSERHFHHMBDRNP-YPAWHYETSA-N 408.592 4.940 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C2CCC2)C1 19449097 IEHSVBCWJLRWPI-SANMLTNESA-N 422.544 4.579 0 40 HJAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2C(=O)c2ccccc2)n1 19690443 DXEPUZVYVFJRFG-HXUWFJFHSA-N 406.917 4.840 0 40 HJAB Cc1nc(C2CCN(Cc3ccc(F)cc3)CC2)ncc1C(=O)Nc1ccc(F)cc1 19763933 DZPLSKWLMYGYCX-UHFFFAOYSA-N 422.479 4.695 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)c1 20107535 BOROSTLGWSYLFG-LJQANCHMSA-N 422.550 4.620 0 40 HJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 22518671 SVSJBAIKWCIREL-KRWDZBQOSA-N 412.555 4.831 0 40 HJAB COc1cccc(Nc2cc(C)nc3c(C)c(-c4ccc(OC)c(OC)c4)nn23)c1 23118902 UEPAEXWAFGLPFP-UHFFFAOYSA-N 404.470 4.783 0 40 HJAB NC(=O)N[C@H](CC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1 25985231 PJWGHRNNRSNCCK-LJQANCHMSA-N 409.873 4.871 0 40 HJAB Brc1csc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 27223144 NPMCEYLGVXRGQZ-GOSISDBHSA-N 402.361 4.923 0 40 HJAB O=C1CCCN1Cc1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 30531384 KGWHXQNWVWHKSU-UHFFFAOYSA-N 412.555 4.658 0 40 HJAB Cc1cc2oc(=O)cc(CN3CCN(Cc4ccc(Cl)cc4)CC3)c2cc1Cl 32665054 ASNLCGYYZWMREI-UHFFFAOYSA-N 417.336 4.726 0 40 HJAB O=C(/C=C/c1ccc(OCc2ccccn2)cc1)NCc1ccc(OC(F)F)cc1 36397659 ULSUWTYIGMGPSM-MDWZMJQESA-N 410.420 4.592 0 40 HJAB O=C(NCC1(c2ccccc2)CCOCC1)NC(c1ccccc1)c1ccccc1 38592246 UMLIXPJWSBGSPV-UHFFFAOYSA-N 400.522 4.824 0 40 HJAB Cc1ccc(SCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38836636 CXNGCSIBJPAQOL-IBGZPJMESA-N 402.991 4.769 0 40 HJAB O=C1CCc2ccc(OCCCCNCCNc3cccc(Cl)c3Cl)cc2N1 44699419 JYRMMVXVCMXLIK-UHFFFAOYSA-N 422.356 4.739 0 40 HJAB in-vitro CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1 44840925 PPEQSXLPXYPQJY-QFIPXVFZSA-N 408.523 4.677 0 40 HJAB Cc1occc1C(=O)Nc1nc(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cs1 48344712 QKZCSOKEWYNLRV-CQSZACIVSA-N 423.538 4.596 0 40 HJAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 50037726 RUYKWNYEIZVJCA-HXUWFJFHSA-N 418.459 4.952 0 40 HJAB Cc1cccc(Oc2ncccc2NC(=O)c2ccc(N3CCOC3=O)cc2)c1C 55828347 QIPSBZUVCMLNHP-UHFFFAOYSA-N 403.438 4.700 0 40 HJAB O=S(=O)(c1ccc(Cl)nc1Cl)N(Cc1ccco1)c1ccc(F)cc1 58392324 CIMRRFAHYINJNY-UHFFFAOYSA-N 401.246 4.516 0 40 HJAB CCCN(Cc1cc(=O)n2cc(C)ccc2n1)[C@H](C)c1ccccc1Br 59121812 UAGKGYJEOPKBLT-MRXNPFEDSA-N 414.347 4.739 0 40 HJAB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]2C(=O)N1c1ccc(F)cc1 59418743 ILPKQNFUMZNOCW-ZRDDSIGQSA-N 403.840 4.573 0 40 HJAB CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OC 59484474 HPLQJDNFFICZSS-YBEGLDIGSA-N 416.271 4.509 0 40 HJAB CCN(CC)CCNC(=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2C)cc1 71760652 LAWLGDBQZSGYCX-UHFFFAOYSA-N 418.994 4.529 0 40 HJAB O=C(Nc1cccc2c1CCCN2C(=O)Cc1ccccc1F)c1ccc(F)cc1 71821438 ULBCAIRMYHAUOZ-UHFFFAOYSA-N 406.432 4.739 0 40 HJAB COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)[C@@H](C)c1ccccc1 80344970 DMRRQZOCACEOCW-VEFTVXKRSA-N 406.309 4.558 0 40 HJAB Cc1ccc(Cn2nc(C)c(C(=O)NCC(C)(C)[C@H]3CCCCO3)c2Cl)cc1 84150411 ZVRQBEZJENOAJZ-GOSISDBHSA-N 403.954 4.527 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)/C=C/c1ccc2c(c1)OCO2 90593164 GNROPBSWNUUINQ-VQHVLOKHSA-N 412.898 4.830 0 40 HJAB COc1ccc(C(=O)Nc2cccc(CNc3ccc(-c4nnco4)cc3)c2)cc1 95428678 XIMHCCLLZRENCB-UHFFFAOYSA-N 400.438 4.610 0 40 HJAB CC(C)n1cnc2c1[C@@H](C(=O)Nc1cccc(Cl)c1)N(Cc1ccccc1)CC2 96037489 ORLRPXPFJDFGDP-QFIPXVFZSA-N 408.933 4.856 0 40 HJAB CCOc1cc([C@@H]2C3=C(O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ncnn32)ccc1O 102666889 XSEYJTCYBFNJAJ-GAJHUEQPSA-N 416.481 4.756 0 40 HJAB CCn1c(S/C(=C\c2cccc(O)c2)C(=O)O)nnc1-c1ccc(Cl)cc1 209172217 HBXZZDLNIZZGKT-WJDWOHSUSA-N 401.875 4.542 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)c3ccccc3OCc3ccccc3)n2)c1 218988554 DPEYPRIOXVNBJY-UHFFFAOYSA-N 413.477 4.896 0 40 HJAB CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(Br)cc1 219687239 CFMDBVOBXNLFMJ-INIZCTEOSA-N 420.347 4.754 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1ccc(OC)c(OC)c1 223030614 RQCYCPHSDAEQRK-LJQANCHMSA-N 405.922 4.572 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 223136945 OEYQBUNCZCJUHS-IBGZPJMESA-N 414.977 4.915 0 40 HJAB CCCCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 223423481 ONGMJVTZLYCSGX-UHFFFAOYSA-N 418.559 4.963 0 40 HJAB O=C(NCCC1CCCCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 224024980 JAFJUPOFWMPCDA-UHFFFAOYSA-N 400.544 4.578 0 40 HJAB CN(c1ccc(C(=O)NC2CCCCCC2)c(Cl)c1)S(=O)(=O)c1ccccc1 224232114 OHEVSAJVVLCCAK-UHFFFAOYSA-N 420.962 4.618 0 40 HJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC 225460533 PUDRVATXNFRXFG-OAQYLSRUSA-N 400.950 4.606 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 225476889 RSDVZDJZCZDPLF-UTKZUKDTSA-N 400.950 4.605 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 225515722 YCMCGYDSBLCRHZ-GGAORHGYSA-N 424.585 4.713 0 40 HJAB Cc1cc(NC(=S)NCc2nc(-c3ccccc3C)no2)ccc1Br 225828666 NRCBFTQUNDPCCO-UHFFFAOYSA-N 417.332 4.603 0 40 HJAB O=C(c1conc1-c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 225872018 WRHZIXOCINQJAI-UHFFFAOYSA-N 423.516 4.889 0 40 HJAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 239347246 MNJJMOWNOOCDRA-AFHBHXEDSA-N 414.288 4.884 0 40 HJAB CC(C)CC(=O)N1CCC[C@H]1c1nc(COc2ccccc2Cl)c(C(=O)O)s1 257303049 SFOOOXIEIGRZEV-HNNXBMFYSA-N 422.934 4.783 0 40 HJAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC(C)C)cc4)OCC[C@@]31C2 257336932 YQPXTWVHBGKAEE-GNCQFOQZSA-N 415.574 4.509 0 40 HJAB CCN(CC)C(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 408778749 YEXRXRYFQODNSH-UHFFFAOYSA-N 422.550 4.564 0 40 HJAB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(CNc3ccc(C)cc3)cc2)cc1 409178778 ORLPHSSUJILMOL-UHFFFAOYSA-N 417.461 4.572 0 40 HJAB CCCN1C(=O)N/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O 409243642 ZHIIEMXFAMKOOK-NTEUORMPSA-N 409.667 4.665 0 40 HJAB COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N[C@H](C)Cc2ccc(O)cc2)cc1 523596947 PNMOTNZGSFZMNY-MZNJEOGPSA-N 422.500 4.754 0 40 HJAB CC(C)Oc1ccccc1CN1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 1648275230 YSGBWKCKZKQVIK-UHFFFAOYSA-N 410.493 4.513 0 40 HJAB CC1(C)C[C@@H]2CN(C(=O)c3cccnc3C(F)(F)F)CC[C@@H]2N1c1ccc(F)cc1 2037988475 MTBIXRIUGUVVQZ-KDOFPFPSSA-N 421.438 4.759 0 40 HJAB O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)NC(=S)N1c1ccccc1 683454 CMENIFZYQJPWMV-JCMHNJIXSA-N 409.514 4.952 0 40 HJAB CC(C)(C)OC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 2253769 IOFDNXXVBCGMNP-UHFFFAOYSA-N 408.889 4.824 0 40 HJAB COc1cccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)N(C)C)ccc3c2=O)c1 2405750 DHKPOWLCTFZLKH-UHFFFAOYSA-N 423.343 4.673 0 40 HJAB biogenic CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Cl)c1 2411212 BCGCBJWEBGUQFJ-NRFANRHFSA-N 424.928 4.724 0 40 HJAB CSc1nc2ccc(NC(=O)c3nn(C(C)C)c(=O)c4ccccc34)cc2s1 2665076 ZALYJELOQYVTCD-UHFFFAOYSA-N 410.524 4.561 0 40 HJAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1Oc1ccccc1 3276462 MDAVGMBCGALFHL-LJQANCHMSA-N 403.478 4.773 0 40 HJAB Cc1cc(C)cc(-n2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)c1 3311608 YYKSJQWKECDOOJ-UHFFFAOYSA-N 421.504 4.703 0 40 HJAB COc1ccc2c(CC(=O)OCc3cc(=O)oc4cc(C)c(Cl)cc34)coc2c1 3341022 PVAGBGLKJOYILG-UHFFFAOYSA-N 412.825 4.796 0 40 HJAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1ccc(Br)cc1 3350086 WUVFQBOKHJGBFF-UHFFFAOYSA-N 424.294 4.589 0 40 HJAB aggregator CCn1c(SCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nc2ccccc21 3405371 KKWDEZYPVLVABT-UHFFFAOYSA-N 405.527 4.590 0 40 HJAB CCCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(C)cc3)c3ccccc32)cc1 4555248 NDKMNJNLMSHQMB-HHHXNRCGSA-N 413.517 4.955 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccccc2Cl)nc2ccccc2c1=O 5046220 VJMKPARELJYOMR-UHFFFAOYSA-N 401.919 4.581 0 40 HJAB CN(C)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2c(F)cc(F)cc2s1 5121745 INULJHVFMABHPF-UHFFFAOYSA-N 415.509 4.662 0 40 HJAB CCCCc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)cc1 6062048 UKIHMNQZFGVRIU-UHFFFAOYSA-N 410.297 4.897 0 40 HJAB CCC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 6706726 ONIMMOAWDSDQHF-OAHLLOKOSA-N 408.951 4.676 0 40 HJAB CCSC1=NC2(CCN(C(=O)Nc3ccc(OC)cc3)CC2)N=C1c1ccccc1 7003006 DCMJAFZKBHMHQG-UHFFFAOYSA-N 422.554 4.674 0 40 HJAB COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1 7408672 YEIMKIWWYAEPGW-JOCHJYFZSA-N 409.507 4.562 0 40 HJAB CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 7763593 VKUNGTHPGQBOSA-UHFFFAOYSA-N 412.540 4.665 0 40 HJAB COc1ccccc1C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 7981978 XMFABGVVQSBLPY-UHFFFAOYSA-N 405.479 4.570 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C)C2 8008044 CBNMIDZTYOMUMN-HNNXBMFYSA-N 402.494 4.772 0 40 HJAB COc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)Nc1cccc(Cl)c1 8113190 PQHCUBXWDDIKOB-UHFFFAOYSA-N 418.946 4.528 0 40 HJAB Cc1ccc(CNC(=O)Cc2csc(Nc3nc(=S)[nH]c4ccccc34)n2)cc1 8672501 OBXKSTSBVHWUQH-UHFFFAOYSA-N 421.551 4.660 0 40 HJAB CCc1ccc2nc(Nc3nc(C)c(Cc4ccccc4Cl)c(=O)[nH]3)nc(C)c2c1 9288006 KWTFMWYUJFMTOM-UHFFFAOYSA-N 419.916 4.880 0 40 HJAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cccc(C)c4)cc3C[C@@H]2C)cc1 10326552 NNCPZMKJTBULOW-SFHVURJKSA-N 420.534 4.696 0 40 HJAB COc1ccc2cnc([C@@H]3CCCN(C(=O)CCc4cc(Cl)no4)C3)cc2c1C 12187913 ZLOKDACBLWPYHA-MRXNPFEDSA-N 413.905 4.532 0 40 HJAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)c3oc(C(C)(C)C)cc3C)C2)on1 12251930 JPSSOOFOEPFKKT-CQSZACIVSA-N 414.531 4.720 0 40 HJAB COc1cccc(Nc2nn(CN3CCC[C@H](C(F)(F)F)C3)c(=S)s2)c1 12552153 BSOFIQPENRBNNI-NSHDSACASA-N 404.483 4.658 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 12786911 AYGVFKMGMIRKRQ-CABCVRRESA-N 412.481 4.544 0 40 HJAB Cc1c(NC(=O)c2cc(F)cc(F)c2)cccc1C(=O)N1CCc2sccc2C1 13012610 XHAZXVBYKRTDPB-UHFFFAOYSA-N 412.461 4.786 0 40 HJAB COc1cccc(-c2nc(C(=O)Nc3ccc4nc(C)sc4c3)cs2)c1OC 13014243 AYVIAFLNZGZQKH-UHFFFAOYSA-N 411.508 4.998 0 40 HJAB CN(C)S(=O)(=O)c1cccc(CSc2ccc(Cl)c(C(F)(F)F)c2)c1 14076943 FKZPLUQJTAJDKP-UHFFFAOYSA-N 409.882 4.901 0 40 HJAB COc1ccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 14398701 CBHHKBQEFQHMAE-ZDUSSCGKSA-N 414.354 4.819 0 40 HJAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(OCc2ccccc2)c1 15095673 HVPCIAPPSLNSDO-LJQANCHMSA-N 412.493 4.680 0 40 HJAB Clc1ccccc1-c1nnc(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)o1 15309974 RKRXBGGJOGTQMD-GOSISDBHSA-N 411.889 4.888 0 40 HJAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)CC(C)C 17088339 SPHCJWOXRWXWRA-UHFFFAOYSA-N 409.559 4.711 0 40 HJAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)c1 17088411 RJQQWZWIJWFCHX-UHFFFAOYSA-N 410.326 4.777 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(F)cc2)c1 17208613 VNFGYUMOTBEYQX-UHFFFAOYSA-N 422.485 4.930 0 40 HJAB Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1ccccc1 17836178 GYMNKLBWYBVUMP-FKBYEOEOSA-N 418.880 4.700 0 40 HJAB COc1ccc(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1F 18083856 UCBZZSSCEDNHSA-INIZCTEOSA-N 406.457 4.507 0 40 HJAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H](C)c3ccccc3)C1)N2 19127387 SNAIHGDBIWYVPQ-WZGPROSRSA-N 420.479 4.521 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)Cn2nc(C)c(C)c2C)n1 19691306 KIVMFSNCZNMVQG-HSZRJFAPSA-N 406.505 4.682 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1C 20152135 QRSPVPOQMHJPNP-UHFFFAOYSA-N 414.914 4.836 0 40 HJAB C[C@H]1CN(CCOc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)C[C@H](C)O1 20591294 MOMCYAXYJWYDSO-HOTGVXAUSA-N 413.901 4.601 0 40 HJAB CCCc1c(-c2ccccc2)nc(Nc2nc(C)c3cccc(OCC)c3n2)[nH]c1=O 20634018 LMFXNDUPPFJOHY-UHFFFAOYSA-N 415.497 4.783 0 40 HJAB Cc1cccc(OCc2nc3ccccc3n2C[C@H](O)COc2cc(C)ccc2C)c1 21659912 AMTQGMHXYBZYOG-NRFANRHFSA-N 416.521 4.980 0 40 HJAB Cc1ccc([C@H](c2sc3ncnn3c2O)N2CCC(Cc3ccccc3)CC2)cc1 22609255 RLHAABWUEQPUKM-OAQYLSRUSA-N 418.566 4.849 0 40 HJAB Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)c(C)c1 28206687 DAIMNJLBYISAFV-UHFFFAOYSA-N 420.534 4.616 0 40 HJAB O=C(NCCSCc1ccco1)c1ccc(CN2CCCc3ccccc32)cc1 30865391 BGXXXMAQVDQAML-UHFFFAOYSA-N 406.551 4.896 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1cc(Cl)c(N)c(Cl)c1 32841603 SAOJXRPLEYBZBA-UHFFFAOYSA-N 403.313 4.949 0 40 HJAB O=C(/C=C/c1ccc2ccccc2n1)NC[C@H](c1ccccc1Cl)N1CCCC1 33028441 SDDGUPVQIYRJKY-YAOQVBECSA-N 405.929 4.855 0 40 HJAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccccc2N2CCc3ccccc32)CC1 40086918 WELWOLNYTONTJD-UHFFFAOYSA-N 405.542 4.604 0 40 HJAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1c[nH]c(=S)n1-c1ccccc1 40110663 PQGKWGGSIKTKNZ-UHFFFAOYSA-N 402.479 4.652 0 40 HJAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(Sc2ccccc2)c(Cl)c1 57265287 MMSROBCLRGSALX-UHFFFAOYSA-N 421.913 4.648 0 40 HJAB COC(=O)/C=C/c1cc(Br)c(-c2ccc(C)cc2Br)o1 57353798 UZTQZTOIPTXOIM-GQCTYLIASA-N 400.066 4.966 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1nc2ccsc2c(=O)n1CC(C)C 57426254 BJEHRAZYGWSUGK-UHFFFAOYSA-N 421.975 4.807 0 40 HJAB CCOC(=O)c1cc(CC)sc1NC(=O)CNC(c1ccccc1)c1ccccc1 57945566 HJSGQPSOOPITJB-UHFFFAOYSA-N 422.550 4.805 0 40 HJAB Cc1cc(Br)ccc1SCC(=O)NCCc1csc(C(C)C)n1 58310563 PTIRZUGMOXOHQX-UHFFFAOYSA-N 413.406 4.788 0 40 HJAB COc1ccc(NC(=O)c2cc(C(C)C)nc3ccccc23)c(Br)n1 84622439 ASELCXHNDDWISP-UHFFFAOYSA-N 400.276 4.777 0 40 HJAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1ccc(Cn2cncn2)cc1 95477444 KXEFTHOBNJOZCZ-FQEVSTJZSA-N 419.916 4.594 0 40 HJAB O=C(CSCc1ccccc1)Nc1ccccc1Cc1nc(-c2ccncc2)no1 96119638 LAXIIEUZPNPRKD-UHFFFAOYSA-N 416.506 4.594 0 40 HJAB O=C(C[C@@H]1CC2(CCN(C(=O)CC3CCCC3)CC2)Oc2ccccc21)NC1CCC1 96243167 SBLCCSAZOGGQRG-HXUWFJFHSA-N 424.585 4.553 0 40 HJAB COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2cccc(OC)c2)c1 100778839 XEOBGYLOTPJETP-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB biogenic Cc1ccc(NC(=O)Cn2/c(=N\CCc3ccccc3)sc3ccccc32)cc1 105802476 QKTSOXIHSPBJHD-OCOZRVBESA-N 401.535 4.793 0 40 HJAB O=S(=O)(N[C@@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccc(Cl)cc1Cl 107864180 KEHIXNOYHZFQGC-PMACEKPBSA-N 422.333 4.747 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(c2ccc(C)cc2)CC1 219865179 OCPBZJQWAYPVPC-QFIPXVFZSA-N 408.542 4.639 0 40 HJAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)cc1OCC 223024666 YSFOCNNHGRRWBX-LJQANCHMSA-N 405.922 4.920 0 40 HJAB Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ccc(C)c(C)c4)ccc32)cc1 223374498 SIFMCFNSTYNFMN-UHFFFAOYSA-N 420.534 4.616 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 224182095 CRKCXGCZSUEWCG-HXUWFJFHSA-N 418.990 4.684 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 225051828 DKGNVDLPDFMTDM-SJORKVTESA-N 418.940 4.662 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 225156886 BDJUBYDYHVBOPM-RBUKOAKNSA-N 414.977 4.831 0 40 HJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccccc1C 225223950 UHYPRUFJNUPGCK-LEYFIJQKSA-N 402.494 4.935 0 40 HJAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 225472188 ATZXSSRAYIHLAF-HNNXBMFYSA-N 420.600 4.605 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)C)c1 225613336 VXCAZWIFAWMWRW-INIZCTEOSA-N 421.368 4.786 0 40 HJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225880154 HWUZXWZEGOURKM-QGZVFWFLSA-N 421.946 4.854 0 40 HJAB Cc1c(Br)cc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1Br 226273211 IDEZQUZNBTVANS-SNVBAGLBSA-N 413.109 4.826 0 40 HJAB Cc1cccc(Nc2cccc([C@H]3CN(Cc4ccnc5ccccc45)CCO3)n2)n1 257295245 QXORAKGICRSCTQ-HSZRJFAPSA-N 411.509 4.650 0 40 HJAB Cc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2ncn(CC4CC4)c23)c(C)o1 306132039 KWFGVYSLZUGMGA-UHFFFAOYSA-N 417.509 4.694 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccccc3C(=O)Nc3cc(Cl)ccc3C)C(=O)[C@H]21 408673985 WRNDAJBHJKNXMD-VBYRIGCOSA-N 420.896 4.602 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(Cl)cc2)cc1 408698453 PNDBWRPSMQYSQN-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3OCc3cccc(F)c3)C2=O)c1 409230553 FKQWGLUTOFJESF-HYARGMPZSA-N 416.452 4.806 0 40 HJAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccccc2OC(C)C)C1=O 409328701 ADOJOVWCCKBDBR-UNOMPAQXSA-N 424.522 4.766 0 40 HJAB Cc1nc2ccc(NC(=O)CC3(N4Cc5ccccc5C4=O)CCCCC3)cc2[nH]1 1565524852 QSWWXBFDKFXHKX-UHFFFAOYSA-N 402.498 4.559 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N 661151 JNSBSJXJOQUPDX-UHFFFAOYSA-N 410.886 4.855 0 40 HJAB O=C(COc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Br)cc1 993079 GZROCFXTCSRADA-UHFFFAOYSA-N 410.267 4.963 0 40 HJAB COc1ccc(-c2oc(=O)n(Cc3cccc(OC)c3)c2-c2ccc(OC)cc2)cc1 1426835 ILLZARMHAMQNKE-UHFFFAOYSA-N 417.461 4.849 0 40 HJAB CCOc1ccc(C(=O)OCC(=O)N(CC)c2cccc3ccccc23)cc1OCC 3235700 HEVICJUNTMXUOC-UHFFFAOYSA-N 421.493 4.847 0 40 HJAB COc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OCc1ccccc1Cl 3338096 KFQHLDQEAKJWEO-UHFFFAOYSA-N 410.853 4.967 0 40 HJAB COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c(OC)c1 4089835 CCCCJMDPASTRRF-UHFFFAOYSA-N 421.449 4.663 0 40 HJAB biogenic Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c1 4717872 VBZXTWPKRISXPC-UHFFFAOYSA-N 411.461 4.858 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cccc(Cl)c1 4800596 WXYHTTCRTGXUFJ-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB CCCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1 4872092 JTVTVEZMTNCSGV-NRFANRHFSA-N 409.555 4.687 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(F)c1)N(c1nc(C)cs1)C3=O 5235348 SUXCKXIBTNDJRJ-GOSISDBHSA-N 406.438 4.755 0 40 HJAB COc1ccc([C@@]2(C(=O)Nc3c(C)cccc3C)CC(=O)N2c2ccc(C)cc2)cc1 5451216 LQNGOJYYUCMMJZ-AREMUKBSSA-N 414.505 4.891 0 40 HJAB CCCOC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc2c1CCCCC2 5468959 GUJNNCDHIXJWPH-UHFFFAOYSA-N 417.527 4.853 0 40 HJAB Cc1ccc(CSc2nnc([C@H](NC(=O)c3cccc(C)c3)C(C)C)n2C)cc1 6300176 DMPNDKIVUBMJSJ-HXUWFJFHSA-N 408.571 4.851 0 40 HJAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(OCCC(C)C)cc2)NC(=S)N1 6308048 YBDYBKHVBHTHOF-JOCHJYFZSA-N 424.566 4.648 0 40 HJAB Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c1 6471548 BXANCKZDDFFUSC-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1ccc(NC(=O)CSCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(C)c1 6549967 DYROVZBFHLDQET-QZGUCNERSA-N 414.615 4.696 0 40 HJAB O[C@@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc(-c2ccccn2)cs1 8776328 AUESQXDJBOKOAP-QGZVFWFLSA-N 424.835 4.724 0 40 HJAB O=c1c2c(nc3n1CCCS3)c1cc(F)ccc1n2Cc1c(F)cccc1Cl 9129744 OCJUEAPMIMECSN-UHFFFAOYSA-N 417.868 4.827 0 40 HJAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nc(C4CC4)nc4ccccc34)ccc21 10949964 ASKQDIFIFSSBAV-CQSZACIVSA-N 417.534 4.780 0 40 HJAB CCCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 11023457 CUMQIANLZJAKHC-UHFFFAOYSA-N 414.962 4.520 0 40 HJAB Cc1nc2sc(C)c(C)n2c(=O)c1NC(=O)CC(c1ccccc1)c1ccccc1 11768801 YWKJVYXEOGCEJG-UHFFFAOYSA-N 417.534 4.842 0 40 HJAB Cc1nc(-c2ccc(CCNC(=O)c3cccnc3SC(F)F)s2)cs1 12396825 RXLJQDVYUQYEDR-UHFFFAOYSA-N 411.524 4.862 0 40 HJAB CN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)[C@H]1CCCc2ccccc21 12568041 HUXQEWLVHMYFGU-NRFANRHFSA-N 418.566 4.773 0 40 HJAB O=C(Nc1ccccc1C(=O)NCCSCc1ccccc1F)c1cccs1 12754683 GIOWOLJSEZYSRJ-UHFFFAOYSA-N 414.527 4.803 0 40 HJAB O=C(COc1ccc(Oc2ccccc2)cc1)Nc1nc(CN2CCCC2)cs1 12802533 BQZMDZLROKXCTI-UHFFFAOYSA-N 409.511 4.549 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc(Cl)cc2Cl)c1 12904629 PYFVLKXEOFUNKI-QGZVFWFLSA-N 410.297 4.753 0 40 HJAB COc1ccc(NC(=O)C2(c3cccc(Br)c3)CCCC2)c(OC)c1 12912624 VWOYEHYMXFAOCV-UHFFFAOYSA-N 404.304 4.917 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C1CCN(C(=O)c2ccoc2)CC1 12923784 ZCFJTPUQHLEVTC-UHFFFAOYSA-N 415.902 4.547 0 40 HJAB O=C(NC1CCCCCC1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 13579468 CYKCMBOUKHBOOC-KQWNVCNZSA-N 401.510 4.778 0 40 HJAB CC[C@H](C)C(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)N(C(C)C)c1ccccc12 13635256 PHJQBPWBBDAMKC-MRDQGFSESA-N 415.537 4.597 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)cc1C 14004400 HIIXHZBWKXXKQB-SFHVURJKSA-N 424.522 4.510 0 40 HJAB CCCCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(CC)cc2)CC1=O 14095544 GBMNCXNHHGMIFJ-HXUWFJFHSA-N 405.542 4.794 0 40 HJAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Oc1cccc(I)c1 16044028 RZCORFADWZVEKM-BQYQJAHWSA-N 418.152 4.929 0 40 HJAB O=C(Nc1ccccc1O)C1CCN(C(=O)/C=C/c2cccc(Cl)c2Cl)CC1 16112280 WKWLAPPMWQDMNY-CMDGGOBGSA-N 419.308 4.590 0 40 HJAB S=C(NC[C@H]1CCC[C@H](CNC(=S)Nc2ccccc2)C1)Nc1ccccc1 16489897 LGRUFGOYKVRLQQ-ROUUACIJSA-N 412.628 4.766 0 40 HJAB O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Cl)cc1 17092839 BWNBQXDULJOBCW-UHFFFAOYSA-N 421.909 4.953 0 40 HJAB CC1=CC(C)(C)N2C(=O)[C@]3(S[C@H](C)C(=O)N3c3ccc(F)cc3)c3cc(C)cc1c32 17093151 HQDGNQITBQJHIH-OYLFLEFRSA-N 422.525 4.998 0 40 HJAB Cc1cccc(N(Cc2ccccc2)C(=O)Cn2cnc3cc(Cl)ccc3c2=O)c1 17735932 GEPVEFNNTWYWHX-UHFFFAOYSA-N 417.896 4.592 0 40 HJAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)c3cc4ccccc4o3)ccc12 18536868 CLMCBZAJJDLMQM-HNNXBMFYSA-N 405.450 4.748 0 40 HJAB Cn1cc(CN2CCCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)cn1 19083338 GLIYEULSAYDNTI-OKZBNKHCSA-N 424.515 4.678 0 40 HJAB CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 19084728 YVNIQMNZYNLVKW-UHFFFAOYSA-N 418.516 4.995 0 40 HJAB CCOc1ccccc1-c1nnc(NC(=O)c2ccc3c(c2)ncn3C2CC2)s1 19663237 DXVKYOPPJFCMFW-UHFFFAOYSA-N 405.483 4.541 0 40 HJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc2ccccc2cc1OC 20139193 JQIWBONNDNOJBC-UHFFFAOYSA-N 403.434 4.862 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(C)n(Cc3ccco3)c2C)c1 22008387 NVNQGALJPSNCMD-JOCHJYFZSA-N 408.498 4.741 0 40 HJAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCCSc3ccccc32)cc1 23228238 LHVBRTLJKNSVIP-MRXNPFEDSA-N 400.569 4.584 0 40 HJAB Cc1ccc(N(CC(=O)c2ccc(Br)cc2)C2=N[C@@H](C)CS2)cc1 27027117 OABCNOCBLRPLRJ-AWEZNQCLSA-N 403.345 4.938 0 40 HJAB Cc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)c1ccc(Cl)cc1)S2 27525586 HZFOFOPHMDMCHG-WBVHZDCISA-N 405.310 4.535 0 40 HJAB Cc1cc2oc(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)cc(=O)c2cc1C 28289962 SKDBCGKAQISRBP-LJQANCHMSA-N 424.566 4.818 0 40 HJAB CCn1c(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)cc2)nc2ccccc21 28574900 HFFPYDVIODMBGE-UHFFFAOYSA-N 407.905 4.824 0 40 HJAB C[C@@](Cc1nc2ccccc2s1)(C(=O)NCCc1ccccn1)c1ccccc1 32657476 YYGWMUXUZJLLHZ-DEOSSOPVSA-N 401.535 4.551 0 40 HJAB CC[C@H]1CCc2sc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCCC3)cc2C1 32960841 SOWKVQZIOZWAFE-LAUBAEHRSA-N 412.599 4.839 0 40 HJAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CCN(c2ncccn2)CC1 40129078 UDFURTHICONEGO-UHFFFAOYSA-N 408.889 4.777 0 40 HJAB COc1ccc(C(NC(=O)c2oc3c(c2C)C(=O)CCC3)c2ccc(OC)cc2)cc1 40134005 CRBLLKUFOSXQKP-UHFFFAOYSA-N 419.477 4.644 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](c2ccccc2F)c2nccn2C)ccc1C(C)C 48354122 IFJAOSVAEFTBBH-JTSKRJEESA-N 409.505 4.664 0 40 HJAB Cc1cc(Cl)ccc1NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 71760658 WLZDITZQNZWUGX-UHFFFAOYSA-N 423.991 4.632 0 40 HJAB Cc1ccc(-c2cc3c(SCC(=O)N(C)c4ccc(F)cc4)nccn3n2)cc1C 72328554 QALPNRLHLPJBGG-UHFFFAOYSA-N 420.513 4.907 0 40 HJAB C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1c1ccc2nnc(C(F)(F)F)n2n1 79096255 XCTGHLKNOGTIIH-MRVPVSSYSA-N 402.207 4.574 0 40 HJAB COC(=O)C[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1oc(C)cc(=O)c1O 95476821 PUQRAJHNHICGRC-OAHLLOKOSA-N 416.514 4.649 0 40 HJAB C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 98064868 ZFUOSFOFDDSMKQ-QJPKHSJYSA-N 418.946 4.767 0 40 HJAB Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(/C=C/c4ccccc4)cc3)C2=O)c1 113561564 IJUMOZLRTOSJJM-DGSRBQDKSA-N 400.503 4.863 0 40 HJAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(Br)cc3)s2)cc1 222645594 OCYMZKUWLAUIAO-GFCCVEGCSA-N 418.316 4.682 0 40 HJAB Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1 225051427 ABJIFYIEORVVIH-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)cc1C 225167479 HDASRFJGZLMSFV-FQEVSTJZSA-N 424.560 4.851 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225482276 UJZZVOSLRDHHAF-HYBUGGRVSA-N 424.585 4.911 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 225614868 ICEFGQWSTGSBJP-UTKZUKDTSA-N 400.950 4.605 0 40 HJAB CC[C@@H](NC(=S)Nc1ccc(OC)c2ncccc12)c1ccc(OC)c(OC)c1 225721826 SSKKVONNORSEJU-MRXNPFEDSA-N 411.527 4.698 0 40 HJAB Cc1nc2ccccn2c1CC(=O)N1CC[C@@H](Nc2cccc(F)c2)[C@@H](CC(C)C)C1 257288959 PWKSSTKLDTXNJR-SIKLNZKXSA-N 422.548 4.700 0 40 HJAB Cc1ccc(Cc2ccc([C@@H]3CCCN3C(=O)COc3ccc(F)cc3)nc2)cc1 257332292 XWQQECPUALPMCR-DEOSSOPVSA-N 404.485 4.862 0 40 HJAB Cc1ccc(C(=O)NC(C(C)C)C(C)C)cc1S(=O)(=O)Nc1cccc(C)c1C 409410181 KTXZAIQCLQJLEZ-UHFFFAOYSA-N 416.587 4.823 0 40 HJAB C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 536763632 OJCOSWPNBGNDBX-XFQXTVEOSA-N 406.448 4.713 0 40 HJAB O=C(c1ccc(Sc2ccc(Cl)cc2)cc1)N1CCS[C@H]2COCC[C@H]21 540214737 HNHYINBBUMMWNG-MOPGFXCFSA-N 405.972 4.838 0 40 HJAB C[C@@H](NC(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2)c1ccc(F)c2ccccc12 578256750 SCSYWYRSQJQVFM-NJAFHUGGSA-N 406.505 4.894 0 40 HJAB O=C(Cn1ccc(=O)c2cc(Oc3ccccc3)ccc21)N1CCC[C@@H]2CCCC[C@@H]21 583232073 TXEGLOZSFIFUPW-CVDCTZTESA-N 416.521 4.975 0 40 HJAB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OC(C)C 686767 WQXLKPHSNHULRM-VCHYOVAHSA-N 414.889 4.537 0 40 HJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccn(Cc2ccccc2Cl)n1 696034 YAFLNURMGQKJAC-AWEZNQCLSA-N 404.297 4.953 0 40 HJAB Cc1ccc([C@H](OC(=O)C2=Cc3ccccc3OC2)C(=O)NC2CCCCC2)cc1 1345105 DOZMJZAODMYEFH-QHCPKHFHSA-N 405.494 4.504 0 40 HJAB CCOC(=O)C1=CN(c2ccc(C)c(C)c2)C=C(C(=O)OCC)C1c1cccc(F)c1 1438246 DSGVJVDJPGGRLI-UHFFFAOYSA-N 423.484 4.940 0 40 HJAB CCOc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1 2887555 OJPKFMKPIHHDPC-UHFFFAOYSA-N 401.919 4.837 0 40 HJAB COc1ccc([C@@H]2NC(=O)N(c3ccccc3)C(C)=C2C(=O)Nc2ccccc2)cc1 3273113 NOALKSYJQCKHRI-QHCPKHFHSA-N 413.477 4.879 0 40 HJAB CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 3433681 QSJOTHKRUSSADS-UHFFFAOYSA-N 416.193 4.688 0 40 HJAB Cc1cc2nnc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)n2c2ccccc12 3444893 RGOACMJTIJJKRS-GJZGRUSLSA-N 408.502 4.688 0 40 HJAB CCCOc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1 3656284 DLFCRGKKXJGHJI-UHFFFAOYSA-N 407.499 4.511 0 40 HJAB C[C@H]1CCc2c(sc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)c2C(N)=O)C1 4176545 MRALUQRUTCMZAU-JTQLQIEISA-N 415.902 4.533 0 40 HJAB CN(C)CCCN(C(=O)c1ccc(Cl)s1)c1nc2c(F)cc(F)cc2s1 4359815 ROVMWIPVLAOEPE-UHFFFAOYSA-N 415.918 4.888 0 40 HJAB O=C(CCCc1ccccc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc(Cl)cc1 4832225 KPMIBWVQJRFUJA-LJQANCHMSA-N 410.823 4.659 0 40 HJAB O=C(CSc1nnc(-c2ccco2)o1)N(CCc1ccccc1)Cc1ccccc1 4836056 QBYKUFBRPRMJIC-UHFFFAOYSA-N 419.506 4.693 0 40 HJAB Cc1cccc(-n2ncc3c2ncn2c(COc4cc(C)ccc4C(C)C)nnc32)c1 5081597 FCVBBOOLKRRZLF-UHFFFAOYSA-N 412.497 4.782 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1C[C@H](C)CC2 5193445 JSCSXXCVXWHETR-GFCCVEGCSA-N 407.919 4.721 0 40 HJAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc(C)ccc1C 6359433 MYXCNFGQCJKMRB-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB COc1ccc(-c2nnc(NC(=O)c3ccccc3Oc3ccccc3)o2)c(OC)c1 6381514 SGYNMQWNCWNNTN-UHFFFAOYSA-N 417.421 4.798 0 40 HJAB COc1cc2ccccc2cc1C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 6414264 PQEPQNDSRGITMB-UHFFFAOYSA-N 419.506 4.547 0 40 HJAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1c(Cl)cccc1C(F)(F)F 6560562 ILFCISQKWXRPEP-UHFFFAOYSA-N 408.763 4.703 0 40 HJAB CC(=O)c1cccc(NC(=O)Cc2c(C)c3c(cc(C)c4c(C)coc43)oc2=O)c1 6624439 MZYMMPMYMYRNFQ-UHFFFAOYSA-N 403.434 4.848 0 40 HJAB biogenic Cc1nnc2c(NCc3ccc(F)cc3)nc3ccc(C(=O)c4ccccc4)cc3n12 6792558 TYCBPLPTTCAOPU-UHFFFAOYSA-N 411.440 4.568 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)c1 6922049 ADPSGPGICRMWAP-UHFFFAOYSA-N 423.538 4.875 0 40 HJAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(Cl)c1 6947875 LYAVONRYSYSPNM-SRZZPIQSSA-N 404.695 4.647 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2cc(NC(=O)c3ccco3)ccc2C)cc1 7388809 GGROUDFLSUFVKJ-UHFFFAOYSA-N 407.495 4.530 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 7399016 IDPTUYMKEAGXST-UYRXBGFRSA-N 405.845 4.532 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCC[C@H]2CCCC[C@H]21 7546405 HBBUNBQTSZBVQF-GDBMZVCRSA-N 402.589 4.615 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(NC(=O)c3ccco3)cc2)c(OC)c1 8274675 KALCZEQGQFNZER-FQEVSTJZSA-N 420.465 4.526 0 40 HJAB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1ccc(Cl)cc1 8759073 KIPMZBFDFKXXTE-UHFFFAOYSA-N 424.707 4.883 0 40 HJAB CC(=O)c1ccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)cc1 8791712 UYECVUPKVJJJSK-UHFFFAOYSA-N 419.477 4.589 0 40 HJAB biogenic O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Nc1nnc(-c2ccccc2)o1 9062145 XIZNAXRSARXMDT-FOCLMDBBSA-N 411.417 4.608 0 40 HJAB O=C1Cc2cc(-c3csc(NC(=O)c4ccc(-c5ccc(F)cc5)o4)n3)ccc2N1 9882769 KWFCVGJXPNOSAA-UHFFFAOYSA-N 419.437 4.956 0 40 HJAB Cc1ccc(NC(=O)NCc2ccc(F)cc2)cc1NC(=O)NCc1ccc(F)cc1 10037481 ALJDFRCKJGCMAF-UHFFFAOYSA-N 424.451 4.917 0 40 HJAB COc1cc(OC)c(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1Cl 10847617 QTJFYWCUVKPDOL-UHFFFAOYSA-N 422.865 4.882 0 40 HJAB COc1cc(Cl)c(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1OC 11066343 NUYRLZGXDWLSHV-UHFFFAOYSA-N 414.893 4.813 0 40 HJAB O=C1CCc2cc(-c3csc(NC(=O)c4cccc(OC(F)F)c4)n3)ccc2N1 11451350 MGWVDFQCTLQSML-UHFFFAOYSA-N 415.421 4.549 0 40 HJAB Cc1nn(Cc2cccc3ccccc23)c(Cl)c1[C@H]1NC(=O)c2ccccc2N1 12533693 FZGYCSHINLLMRU-JOCHJYFZSA-N 402.885 4.901 0 40 HJAB C[C@H]1C[C@@H](Sc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)C(=O)O1 12551372 ZQKCLZOGFKLWBB-YVEFUNNKSA-N 406.429 4.900 0 40 HJAB CN(C)Cc1ccccc1CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 12737715 MQWBYMHBFGDSCT-UHFFFAOYSA-N 402.416 4.957 0 40 HJAB CC(=O)c1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 12762808 LEIFJQIVSBTSQI-WMZOPIPTSA-N 408.523 4.672 0 40 HJAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2ccc(Cl)cc2)n1 12899335 NUIUALZFELFXLB-UHFFFAOYSA-N 420.321 4.828 0 40 HJAB Cc1oc2cc(OCC(=O)NCc3cccs3)ccc2c(=O)c1Oc1ccccc1 12911113 ZHMAPQPYAJICGB-UHFFFAOYSA-N 421.474 4.650 0 40 HJAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1cccc(F)c1 13121137 WADYNMWFJRCIDQ-UHFFFAOYSA-N 417.893 4.960 0 40 HJAB CN(C)c1ccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 14502659 UMPGUBWUDFTVNG-UHFFFAOYSA-N 410.521 4.594 0 40 HJAB COCCc1ncc(CN2CCC[C@@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)cn1 19691925 MPZJXKKQPFZYNY-RUZDIDTESA-N 416.569 4.605 0 40 HJAB C[C@]1(C2CCN(C(=O)c3ccccc3)CC2)CCCCN(CCc2ccccc2)C1=O 19744868 HWAWWPDGASOXRQ-HHHXNRCGSA-N 418.581 4.800 0 40 HJAB Cc1n[nH]c(SCc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)n1 20293585 WZIMRGOKWVZOMQ-UHFFFAOYSA-N 404.948 4.790 0 40 HJAB COc1ccc(-c2cc(OC(=O)c3ccccc3)n(-c3ccc(F)cc3)n2)cc1OC 20636379 VPEJYXDUYYWLMM-UHFFFAOYSA-N 418.424 4.915 0 40 HJAB Cc1noc(C)c1CN(C)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 24703552 MQTBCRQQCLAKBU-UHFFFAOYSA-N 410.861 4.663 0 40 HJAB Cc1cccc(Cn2cc(Br)c(NC(=O)Cc3ccc(Cl)cc3)n2)c1 27917605 PXMVXRWXJCNIKF-UHFFFAOYSA-N 418.722 4.837 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)c3oc4ccc(F)cc4c3C)cs2)cc1 27994571 AIJYPKWRAFXBOO-UHFFFAOYSA-N 410.470 4.985 0 40 HJAB Cc1nc(C2(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)CCCCC2)no1 29058123 VKNJOEAWNABRPM-UHFFFAOYSA-N 424.115 4.976 0 40 HJAB O=C(CN1CCSc2ccccc21)N1N=C(c2ccco2)C[C@H]1c1cccs1 32510712 PFUBLHDSEZOXKY-KRWDZBQOSA-N 409.536 4.631 0 40 HJAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)NCc1cccc(Cl)c1 32578957 YKOAMJRJKDMAJF-UHFFFAOYSA-N 419.868 4.752 0 40 HJAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC[C@@H]3c3cccs3)c12 32888325 MRXLOBKRCRYACY-LJQANCHMSA-N 402.523 4.983 0 40 HJAB Cc1ccc2[nH]c3nc(SCC(=O)Nc4cccc(Cl)c4Cl)nnc3c2c1 35312206 SSGOJGOTAIAGGJ-UHFFFAOYSA-N 418.309 4.852 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3ccc(C)cc3C)c3c(C)nn(C)c3n2)c1 36616232 ZNBYKYNSXLNFCC-UHFFFAOYSA-N 400.482 4.821 0 40 HJAB CN(Cc1ccccc1C(F)(F)F)C(=O)NCc1ccccc1CN1CCCC1 40068826 UUMNUEZLHDPAPH-UHFFFAOYSA-N 405.464 4.643 0 40 HJAB C[C@H]1Sc2ccc(C(=O)Nc3ccc(-c4cn5c(n4)CCCC5)cc3)cc2NC1=O 40156293 HIOJZDWSJFRWPH-CQSZACIVSA-N 418.522 4.571 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(C)c3)n2)cc1 46012233 IPWUMAPHTFHEBM-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB O=C(Nc1nnc(C2CCCCC2)s1)c1cc(F)ccc1NC(=O)N1CCCC1 49551464 CAHMHNOVWPMKSJ-UHFFFAOYSA-N 417.510 4.605 0 40 HJAB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)CC1 57317110 FAZVNTABRVTWJA-UHFFFAOYSA-N 407.558 4.757 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3Br)o2)cc1 63887740 DAHKNLXPMMAOBB-UHFFFAOYSA-N 401.260 4.684 0 40 HJAB COC(=O)CC[C@H](C)[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[C@H]3O 64220358 GRQROVWZGGDYSW-WYBJBJJYSA-N 406.607 4.566 0 40 HJAB biogenic CSc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)cc1 67293400 MRXQOBAKVQBJFV-GYHWCHFESA-N 403.463 4.740 0 40 HJAB O=C(COc1ccccc1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 72349072 OSMWCSGLEIXSPR-UHFFFAOYSA-N 404.485 4.597 0 40 HJAB Cn1cc(CN2CCC[C@H]2c2cncc(Nc3ccccn3)n2)c2cc(F)ccc21 72376416 JXBGHCQLIXEVGU-NRFANRHFSA-N 402.477 4.583 0 40 HJAB Cc1nc(C)c([C@H](C)NC(=O)c2c(-n3cccc3)sc3c2CCSC3)s1 84062369 MLASXWKDCVUBNG-LBPRGKRZSA-N 403.598 4.892 0 40 HJAB O=C(C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21)N1CCCC1 96053220 NJYKZDDXOAIPHQ-NRFANRHFSA-N 422.544 4.739 0 40 HJAB Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NC(C)C)c2ccccc2O3)s1 96053319 VCAXXYWGMVWZKC-IBGZPJMESA-N 412.599 4.872 0 40 HJAB COC(=O)/C(=C/Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 100025802 FWBVAAMSRZXYQI-AQTBWJFISA-N 407.919 4.538 0 40 HJAB Cc1cn2nc(C(=O)Nc3ccc(Cl)cc3)cc2c(N(C)Cc2ccccc2)n1 169781399 RBLUDCZCFJEZSD-UHFFFAOYSA-N 405.889 4.580 0 40 HJAB CCOC(=O)c1cn(Cc2ccccc2Cl)c2cc(C(F)(F)F)ccc2c1=O 199727908 AUGXSMUCGLSKDZ-UHFFFAOYSA-N 409.791 4.899 0 40 HJAB CCc1nc(S/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)O)n[nH]1 213393012 XEODLRSYHSIPJX-BOPFTXTBSA-N 415.902 4.817 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 223077420 BEPSLTAMDKWWPO-QFIPXVFZSA-N 424.585 4.796 0 40 HJAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2C)cc1NS(=O)(=O)c1ccccc1 224046322 BCQYQMGFBAORJX-GOSISDBHSA-N 408.523 4.595 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 224369367 ZRRAUIUPESBJRE-QHCPKHFHSA-N 410.533 4.625 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224388517 MHNLQPFZQANGFQ-OAQYLSRUSA-N 414.977 4.995 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1ccc(OC(C)C)cc1 224779668 YLHGFYFRPPPCQF-JCMHNJIXSA-N 404.466 4.785 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(F)c(Cl)c3)o2)c(OC)c1 224868393 UMXOQOKPVXNIJK-UHFFFAOYSA-N 404.825 4.723 0 40 HJAB CCCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCC[C@H](C)C1 225663828 FVDBOKQMDKGUGZ-RDPSFJRHSA-N 402.579 4.865 0 40 HJAB C[C@H](NC(=S)Nc1nc(N2CCCCC2)cc(N2CCCCC2)n1)c1ccccc1 225957966 HJTZTKSQDNVHCO-SFHVURJKSA-N 424.618 4.505 0 40 HJAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3cc4c(nc3O)CCC4)C2)n1 257225925 FIKWRTUXVNPAAD-HXUWFJFHSA-N 413.521 4.666 0 40 HJAB CNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CC2CCCC2)CC1 257243078 IFJUYFUAIGYSND-UHFFFAOYSA-N 418.581 4.831 0 40 HJAB COc1cc(C)ccc1CN1CCO[C@@H](c2cccc(Nc3nc(C)c(C)s3)n2)C1 257269679 MQXVDVPOHAUMRE-OAQYLSRUSA-N 424.570 4.789 0 40 HJAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(Oc5ncccn5)cc4)OCC[C@@]31C2 257284253 PBXDHGQOGFBPET-LEKCYLROSA-N 421.541 4.678 0 40 HJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)O)cc3)o2)S1 260772091 MJPHRICYADKSML-CAYVGHNUSA-N 405.479 4.629 0 40 HJAB COc1ccc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)cc1Br 408974933 GCOAZDTZLMOPAP-CAOOACKPSA-N 416.315 4.970 0 40 HJAB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 408980487 RHLHWNLJRJSENY-QHCPKHFHSA-N 422.550 4.660 0 40 HJAB C[C@@H]1CCC2=NN(C(=O)c3ccc(-c4ccccc4)cc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409057130 IUICRTWDGCNVTC-CFCCAZDESA-N 402.416 4.853 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CSCc2cccc(Cl)c2)CC1 409129223 JAWZLJXREIRSPI-UHFFFAOYSA-N 409.382 4.884 0 40 HJAB Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O 409223904 HKAHQRPBGWVJJO-VGOFMYFVSA-N 410.879 4.524 0 40 HJAB CC(=O)N(c1nnc(SCCOc2cc(Cl)cc(Cl)c2)s1)C1CC1 525519512 XQLSXTLDHSYOTL-UHFFFAOYSA-N 404.344 4.531 0 40 HJAB C[C@H]1CN(C(=O)C2(C(=O)N3C[C@@H](C)[C@H]3c3ccccc3)CCC2)[C@H]1c1ccccc1 531633297 YUCRTIOQZXIUSM-ZIIYYELXSA-N 402.538 4.596 0 40 HJAB CC(C)COC(=O)NC1CC2(CCN(Cc3ccc(F)c(C(F)(F)F)c3)CC2)C1 585104008 VFWMMPHROOQRKL-UHFFFAOYSA-N 416.459 4.971 0 40 HJAB Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)nc2)n1 585292883 PLTSKURFZOQNKX-QYFOZDBKSA-N 413.525 4.651 0 40 HJAB Cc1cc(C)nc(-n2nc(C(=O)N[C@@H](C)c3ccc(-c4ccccc4)cc3)cc2C)n1 1536268573 ANIGJFQNPLHZKB-IBGZPJMESA-N 411.509 4.746 0 40 HJAB Cc1sc2nc(C(F)(F)F)nc(NCC(C)(C)N3C[C@H](C)O[C@@H](C)C3)c2c1C 1615566486 BQWDHMIXVIQLFP-QWRGUYRKSA-N 416.513 4.627 0 40 HJAB O=C(CSc1nnc(-c2cc3ccccc3cc2O)o1)Nc1cccc(Cl)c1 892360 ZNWDYUFSUHKQFV-UHFFFAOYSA-N 411.870 4.980 0 40 HJAB CCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1cc2ccccc2cc1O 896757 NITMZVBEIHOIHG-HOTGVXAUSA-N 424.570 4.705 0 40 HJAB O=C(O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1O 990308 ASCCVBAVMCLCRM-UHFFFAOYSA-N 421.019 4.505 0 40 HJAB O=C(CSc1ncnc2sc3c(c12)CCC3)c1ccc(Br)cc1 1105522 HRGQAHPKLRNKMB-UHFFFAOYSA-N 405.342 4.918 0 40 HJAB CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4ccc(CC)cc4)cc3n2)cc1 1517059 SPVNLHGFFQWHPF-UHFFFAOYSA-N 400.482 4.918 0 40 HJAB Cc1c(SC(F)(F)[C@@](F)(Cl)OC(F)(F)F)c(=O)n(-c2ccccc2)n1C 1807019 VPSMBDFPVVSFJQ-LBPRGKRZSA-N 420.762 4.568 0 40 HJAB CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)c12 2146876 KQSZLKPDJVVDGL-MRXNPFEDSA-N 417.502 4.653 0 40 HJAB biogenic COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 2439612 BGOOATJOTYEQMU-KRWDZBQOSA-N 424.865 4.661 0 40 HJAB COc1cccc([C@@H](c2c(-c3ccccc3)n(O)c3ccccc23)N2CCOCC2)c1 2637958 QDKZGICMXQZMKI-VWLOTQADSA-N 414.505 4.976 0 40 HJAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc1 2639670 XNGSIAYNQXAHNX-QGZVFWFLSA-N 402.446 4.663 0 40 HJAB CN(CCO)c1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 3281871 FLLWWVDZYQMENT-UHFFFAOYSA-N 405.976 4.554 0 40 HJAB CC(C)(C)[C@@H](/C=C/c1ccc(Cl)cc1Cl)NC(=O)C1(NC=O)CCCCC1 3764877 JXSPHIAJRHIPFH-XSFOEPMVSA-N 411.373 4.986 0 40 HJAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)cc2)CSC3)cc1 4175970 VHLMCZRVIOSOQD-UHFFFAOYSA-N 414.328 4.942 0 40 HJAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccccc2OC)C[C@H]1c1ccc(OC)cc1 4817000 BLEBZGPLOOWERG-LEWJYISDSA-N 420.513 4.553 0 40 HJAB O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCCCC2)cc1 5397784 VPTSGPMLBJNZFX-UHFFFAOYSA-N 410.558 4.765 0 40 HJAB O=C(CC1CCCC1)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 5784843 LSSUPUBOJNMBHI-LJQANCHMSA-N 414.889 4.734 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Nc3cccc(C)c3)s2)c1C 6256640 XUWQHZMBJNNBEK-UHFFFAOYSA-N 400.529 4.713 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)c3ccc[nH]3)n2-c2ccc(C)cc2)cc1 6390872 FKUZONHBJLAQMC-UHFFFAOYSA-N 404.495 4.554 0 40 HJAB COc1ccc([C@@H]2CCCN2Cn2nc(C)n(-c3ccccc3)c2=S)c(OC)c1 7316739 IYEQNVYCKHKVHP-FQEVSTJZSA-N 410.543 4.524 0 40 HJAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCC(c2nc3ccccc3s2)CC1 8366677 NPMBLLBQBKXBGJ-UHFFFAOYSA-N 416.550 4.821 0 40 HJAB Cc1ccc(C(=O)C[C@@H](C(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 8475326 JLKNSOZBSADQDV-DEOSSOPVSA-N 420.530 4.910 0 40 HJAB Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 8475648 XMRGWLHFNAUDCA-UHFFFAOYSA-N 412.287 4.504 0 40 HJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc2ccc3ccccc3n12 8845914 ZRQCFTYGQHQODB-LBPRGKRZSA-N 412.902 4.664 0 40 HJAB COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccccc5)nc4c32)cc1 9158378 CSJLHLUOVRDOBC-NRFANRHFSA-N 422.444 4.791 0 40 HJAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](C)c1ccccc1Br 10448081 VQSWIGMMNYSDJL-LBPRGKRZSA-N 401.308 4.574 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2cc(Cl)ccc2C)cc1 11612760 ZNQRGOUBIDHIQK-GOSISDBHSA-N 420.962 4.529 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)c1cccc(F)c1 12237305 JYYFZHQDKMXOSV-UHFFFAOYSA-N 421.497 4.891 0 40 HJAB COc1ccc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)cc1OC 12329277 RGHAAZYHJYQVSI-UHFFFAOYSA-N 410.524 4.958 0 40 HJAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccc(-c2nnc3n2CCC3)cc1 12521228 OSHUCTPQJLMMNF-UHFFFAOYSA-N 424.570 4.606 0 40 HJAB O=C(CNc1ccc(Br)cc1)N[C@@H](c1ccc(F)cc1)c1cccs1 12536369 YXWVHDSDAXZNQE-IBGZPJMESA-N 419.319 4.967 0 40 HJAB Cc1cc(C)c2nc(NC(=O)CSc3nnc(C)n3-c3ccccc3)sc2c1 12543609 XNVDFXCWDRHDGR-UHFFFAOYSA-N 409.540 4.533 0 40 HJAB COc1cccc(NC(=O)[C@H]2SC(Nc3ccccc3)=NN=C2c2ccccc2)c1 12545267 DWZDFRQEJBNYPF-NRFANRHFSA-N 416.506 4.622 0 40 HJAB O=S(=O)(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ccccc1F 12545822 ILBGOQRGVQWOGJ-UHFFFAOYSA-N 413.348 4.800 0 40 HJAB CCn1c(=S)[nH]c2cc(C(=O)N3CCC[C@H]3c3cc(OC)ccc3OC)ccc21 12640041 XLAPJFXEGLCMIP-SFHVURJKSA-N 411.527 4.713 0 40 HJAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc(C)c1C 14126530 RSPACYXZOFCDFQ-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB COc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)cc1 14226008 XFGQWDGQPHRWIJ-UHFFFAOYSA-N 421.522 4.511 0 40 HJAB COc1c(C)cccc1C(=O)NC(=S)Nc1c(C)cc(Br)cc1C 17087618 LLINCXRAKSIYJK-UHFFFAOYSA-N 407.333 4.510 0 40 HJAB CCOc1ccccc1-c1nc(CSc2nc3ccccc3c(=O)n2C)c(C)o1 17316114 PTNYCBHYFRREFK-UHFFFAOYSA-N 407.495 4.588 0 40 HJAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1/C=C(\Cl)c1ccc2ccccc2c1 19691795 DEWWFRJWHMSGCU-UNOMPAQXSA-N 411.885 4.533 0 40 HJAB COc1ccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)cc1OC 20412022 JYDHFAKYINUESZ-UHFFFAOYSA-N 404.422 4.530 0 40 HJAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(OCC)c(OCC)c2)cc1Cl 20456138 QXERCZHLQJFKMS-UHFFFAOYSA-N 419.905 4.885 0 40 HJAB CCOc1cccc(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 20483578 NNYOWRCTZZQVJK-UHFFFAOYSA-N 400.522 4.574 0 40 HJAB O=C(Nc1ccc(F)c(F)c1)[C@H]1CC(O)=Nc2cc(-c3ccc(Cl)cc3)nn21 20738351 VHSGDADCPLKSCK-MRXNPFEDSA-N 402.788 4.653 0 40 HJAB CCOc1ccccc1NC(=O)c1nnc2c(-c3ccccc3)c(C(C)C)nn2c1C 20797891 JHMVQKALKPCUIQ-UHFFFAOYSA-N 415.497 4.874 0 40 HJAB C[C@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)c1ccc(Br)cc1 21184325 YJGNXDKQJYLIAB-NSHDSACASA-N 420.307 4.747 0 40 HJAB CCn1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c(=O)c2cc(Cl)ccc21 22234983 CIHGXCPPUZPMGX-UHFFFAOYSA-N 421.280 4.598 0 40 HJAB O=C(CCCc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F 27570387 ZQUVQZWXJTZCJI-LJQANCHMSA-N 410.823 4.550 0 40 HJAB CCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 28184145 ULROIWCSWHYRGK-UHFFFAOYSA-N 413.326 4.703 0 40 HJAB COCCNC(=O)c1ccccc1NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 29652508 HFIGXFSCVNZIDW-UHFFFAOYSA-N 423.538 4.562 0 40 HJAB CC(C)c1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 29864617 UNCDVRFUAOKLTO-UHFFFAOYSA-N 414.552 4.854 0 40 HJAB C/C=C/c1ccc(OCCn2c([C@@H]3CCCN3C(C)=O)nc3ccccc32)c(OC)c1 33317697 CEBNVMVZRODAQX-OIHWHRODSA-N 419.525 4.840 0 40 HJAB CCOc1ccc(C(=O)CCC(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)cc1 48290854 SYLFQICUQFYPKQ-JOCHJYFZSA-N 421.497 4.612 0 40 HJAB CC(=O)N(c1ccc(F)cc1)c1nc(CN2CCC[C@H](C(F)(F)F)C2)cs1 48353581 UGQMOPOFVKODQB-ZDUSSCGKSA-N 401.429 4.741 0 40 HJAB O=C(CSc1ccc(C(F)(F)F)cn1)N[C@H]1CCSc2c(F)cccc21 57666877 TXEFXYHHGHXGQB-ZDUSSCGKSA-N 402.438 4.685 0 40 HJAB COc1ccc(CN(Cc2ccncc2)Cc2ccc(C)cc2)cc1Cn1cccn1 57797092 FCQAKQNNFASGGW-UHFFFAOYSA-N 412.537 4.846 0 40 HJAB COc1cccc(NC(=O)CSCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 57986478 XPAIWJCYKDQMPZ-UHFFFAOYSA-N 423.416 4.636 0 40 HJAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(Cl)cc2)n1 67297936 CLJGJAMNZFMNIT-LVWGJNHUSA-N 405.841 4.980 0 40 HJAB CN(CCCC(=O)N1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1)c1ccccc1 72380418 UHPWXMJCHSUDPS-HXUWFJFHSA-N 420.532 4.838 0 40 HJAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccc2c(ccn2Cc2ccccc2)c1 79189564 DJDBGLBBTXXVNK-BJKOFHAPSA-N 401.554 4.684 0 40 HJAB biogenic O=C(Cc1nc2cc(-c3ccc(Cl)cc3Cl)sc2c(=O)[nH]1)NC1CCCC1 84343563 XCABVFXKDNOKHM-UHFFFAOYSA-N 422.337 4.560 0 40 HJAB Cc1cc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c(C)n1CC(F)(F)F 95469757 QZZTVAGGNNYJNM-UHFFFAOYSA-N 402.800 4.734 0 40 HJAB CCC1(C(=O)Nc2nc3c(OC)cccc3s2)CCN(C(=O)c2ccccc2)CC1 96004393 JMIJKPUSWWHRIM-UHFFFAOYSA-N 423.538 4.576 0 40 HJAB COc1ccc(CCN2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)cc1OC 102727640 CEWFWUMCODZXQU-UHFFFAOYSA-N 421.522 4.632 0 40 HJAB CO[C@@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2S[C@H]21 104077075 JORMVECOVONDLI-CJRSTVEYSA-N 404.531 4.850 0 40 HJAB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OC 210199236 DSQKZLLPZFOCSW-CXUHLZMHSA-N 405.859 4.607 0 40 HJAB COCCCNC(=O)c1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 222688501 RSYRRMPEIVCCRQ-UHFFFAOYSA-N 420.962 4.617 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1 223777501 DXXZKDAVRQRHON-NRFANRHFSA-N 406.570 4.712 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 225555842 LOFDGHTYPCPPFZ-QGZVFWFLSA-N 418.990 4.515 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCCc2cccc(OC(C)C)c2)c(C)c1 225565957 DPJLIDOJIHHUFZ-UHFFFAOYSA-N 414.571 4.878 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 225589222 KDIMIEQNOWZDEN-AVRDEDQJSA-N 414.977 4.995 0 40 HJAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)c1csc(-c2ccccc2)n1 238878392 OQCGGHKGJAOPKY-FQEVSTJZSA-N 412.561 4.599 0 40 HJAB CSc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 257236749 HDPDVTJHWGSFQU-GOSISDBHSA-N 413.587 4.839 0 40 HJAB C=Cc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 381030406 ZPFOMEUZJASIGX-DEOSSOPVSA-N 413.473 4.864 0 40 HJAB COc1ccc(C)cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 408543880 FRUZNWMYKBHVAN-QHCPKHFHSA-N 422.506 4.623 0 40 HJAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)ccc1Br 408638793 DNPWHBKHPKDUQQ-MRXNPFEDSA-N 423.310 4.902 0 40 HJAB Cn1cc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c(-c2ccccc2Cl)n1 519473482 NFIBQRNMJJWZGD-IBGZPJMESA-N 421.888 4.721 0 40 HJAB O=C(c1cc(O)c2ccccc2c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 525928929 LSPHNDBBDRNQAX-GOSISDBHSA-N 404.514 4.731 0 40 HJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Br)cc(C(C)(C)C)c1O 1144183157 LKLBHFQCJHXQKJ-NSHDSACASA-N 410.283 4.997 0 40 HJAB Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl 683241 XWMKRTJOFYDOSP-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB COC(=O)c1c(NC(=O)c2cccc(C)c2)sc(C(=O)Nc2cccc(C)c2)c1C 871953 PZZWENNXVINXAT-UHFFFAOYSA-N 422.506 4.965 0 40 HJAB COc1cccc(C(=O)Nc2cc(C(=O)NCCc3ccccc3)ccc2Cl)c1 1006687 LPILHHWMGWOONI-UHFFFAOYSA-N 408.885 4.573 0 40 HJAB CC(=O)Nc1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)ccc1C 1222354 MXESSTSNIINZBL-UHFFFAOYSA-N 404.495 4.915 0 40 HJAB Cc1ccc2cc(CN(C(=S)NCc3ccco3)C3CCCCC3)c(=O)[nH]c2c1 1224195 OLJNGQZIFBDSQR-UHFFFAOYSA-N 409.555 4.639 0 40 HJAB CCOc1ccc(N[C@H](NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2)cc1 1450990 FFWPABULZGFBMT-JOCHJYFZSA-N 408.885 4.790 0 40 HJAB CCCCCCNC(=O)c1c(N)n(-c2ccccc2F)c2nc3ccccc3nc12 2237532 DVLWMWLGJUPOTD-UHFFFAOYSA-N 405.477 4.605 0 40 HJAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)NC1c2ccccc2-c2ccccc21 2305591 WEALCQUAFGUGRC-UHFFFAOYSA-N 424.500 4.729 0 40 HJAB CCOC(=O)CSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCCC4 2354352 VJCXVBLXWHOSGE-UHFFFAOYSA-N 424.551 4.540 0 40 HJAB O=C(COC(=O)CSc1cccc2cccc(Cl)c12)NCc1ccc(F)cc1 2635481 WESGMIMEGNHYAN-UHFFFAOYSA-N 417.889 4.584 0 40 HJAB Cc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(O)cc2)cc1 2704530 XOJOQGZTECCHTQ-JOCHJYFZSA-N 415.420 4.692 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 3239067 MAOYIPPOEJFONN-UHFFFAOYSA-N 402.661 4.516 0 40 HJAB COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(C)c(C)c2)c1 4518165 CCSVDSBITVTXAR-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)c1 4550562 NEZDOFLKMAYDJQ-UHFFFAOYSA-N 413.543 4.587 0 40 HJAB Cc1ccc(CN2C(=O)[C@](O)([C@H](C)C(=O)c3ccccc3)c3cc(Cl)ccc32)cc1 4555180 CGFKVWYQIACLEN-NSYGIPOTSA-N 419.908 4.902 0 40 HJAB CCOC(=O)Nc1ccc2c(c1)N(C(=O)[C@H](C)N(CC)CC)c1ccccc1CC2 4785951 CRPZDKQBRNLAAB-KRWDZBQOSA-N 409.530 4.749 0 40 HJAB CC(=O)c1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1 4941122 KWGDSIIEEGGOSK-UHFFFAOYSA-N 404.857 4.837 0 40 HJAB Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)c(C)c1 5092015 GRSVHQCKZAIOBQ-XWGVYQGASA-N 412.489 4.663 0 40 HJAB O=C(Cc1ccccc1)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 5107109 QTVGSANAZWMWOI-UHFFFAOYSA-N 414.417 4.595 0 40 HJAB Cc1ccc(C)c2sc(N(CCN(C)C)C(=O)CSc3ccc(F)cc3)nc12 5239669 RXCLPLRUKUUJMH-UHFFFAOYSA-N 417.575 4.739 0 40 HJAB COc1ccccc1NC(=O)[C@H](C)OC(=O)CSc1cc(Cl)ccc1Cl 5468235 FDVDDMTWZWPZDB-NSHDSACASA-N 414.310 4.665 0 40 HJAB C[C@@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)c1ccc(Br)cc1 5499421 DWKTZLZYWFEHLQ-CYBMUJFWSA-N 416.344 4.532 0 40 HJAB O=C(COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)NC1CCCC1 5659108 PZQQMAKXFCJUFO-UHFFFAOYSA-N 420.481 4.961 0 40 HJAB Cc1cc(C)n(-c2nc3ccccc3nc2Nc2cccc(NC(=O)C(C)C)c2)n1 6545982 PFHSEOPOXKOIBX-UHFFFAOYSA-N 400.486 4.770 0 40 HJAB O=c1oc2ccc(Br)cc2cc1-c1nc(-c2ccc(Cl)cc2)no1 6868002 QCAWLSSHXSTMLD-UHFFFAOYSA-N 403.619 4.926 0 40 HJAB CCOc1cc(C[C@@H]2SC(=O)N(CC)C2=O)ccc1OCc1ccccc1Cl 6952444 PQSFMQBWVJWJNH-IBGZPJMESA-N 419.930 4.944 0 40 HJAB CCCCOc1ccc(C(=O)Nc2nnc(-c3ccc(OCC)cc3)o2)cc1OC 7141402 HQQSAMIPYJCECH-UHFFFAOYSA-N 411.458 4.575 0 40 HJAB CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1ccc(C)cc1 7263602 ZDFLSZATKRHROG-HSZRJFAPSA-N 418.537 4.605 0 40 HJAB CCn1c(SCC(=O)N[C@@H](C)c2cccc3ccccc23)nc2ccccc2c1=O 7275379 OLRRMCWCJPNAFS-INIZCTEOSA-N 417.534 4.539 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCC[C@@H]2CCCC[C@@H]21 7546402 HBBUNBQTSZBVQF-HOCLYGCPSA-N 402.589 4.615 0 40 HJAB COc1cc(/C=C/C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc(OC)c1OC 8128420 GRXUKVBEASJSLV-PLSXKVAHSA-N 412.511 4.555 0 40 HJAB Cc1ccc(-c2nc(CN3C(=O)N[C@@]4(CCCCc5ccccc54)C3=O)cs2)cc1 8502015 YKYWJBQGFDEMCL-XMMPIXPASA-N 417.534 4.792 0 40 HJAB COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c1 8701380 ODXQHDBQMWBPOL-UHFFFAOYSA-N 419.506 4.774 0 40 HJAB Cc1cccc(CS(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c1 8961520 LQEPXLMRTBRMPW-UHFFFAOYSA-N 422.506 4.628 0 40 HJAB COc1ccccc1C(=O)Nc1c(C(=O)c2ccc3c(c2)OCO3)oc2ccccc12 9328376 WFYIECVUWJDOPB-UHFFFAOYSA-N 415.401 4.653 0 40 HJAB CCn1c(CSc2nccc(C)n2)nc2cc(NC(=O)C3CCCCC3)ccc21 9421441 KEYQHYJGNPAOEI-UHFFFAOYSA-N 409.559 4.966 0 40 HJAB COc1ccc(CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)C2CC2)cc1 9741840 AQLAKDISTIQTFX-UHFFFAOYSA-N 424.504 4.748 0 40 HJAB COc1cccc(NC(=O)[C@H](OC(=O)[C@H]2Cc3ccccc3S2)c2ccccc2)c1 10905135 ZDPUXFWVWUIISC-FGZHOGPDSA-N 419.502 4.635 0 40 HJAB COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1OCc1ccncc1 12537976 CUGJTXCJNOEIQT-AWEZNQCLSA-N 409.511 4.503 0 40 HJAB CC(C)[C@H](NC(=O)N[C@H](C)c1ccc(F)c(F)c1)c1ccc2c(c1)OCCCO2 12749606 CCZIMTVVAKDYSA-SZNDQCEHSA-N 404.457 4.884 0 40 HJAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)o2)cc1 12803534 ALCDGDXKAIURJU-LSDHHAIUSA-N 409.511 4.594 0 40 HJAB COc1cccc(-c2nc(C(=O)N3CCC(c4ccccc4)CC3)cs2)c1OC 12885613 HGIDJBIWSQSDCF-UHFFFAOYSA-N 408.523 4.847 0 40 HJAB CC(C)c1ccc(-c2nnn(CCC(=O)Nc3c(Cl)cccc3Cl)n2)cc1 12897277 DRNTUSBGCREFTF-UHFFFAOYSA-N 404.301 4.799 0 40 HJAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc(F)ccc3Br)n2)C1 12916377 YTQFVYISIOGDAE-LLVKDONJSA-N 412.328 4.529 0 40 HJAB CN(C)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 13074140 HHARKSYVVYNONJ-UHFFFAOYSA-N 412.355 4.591 0 40 HJAB Cc1cc(C)cc(NC(=O)Cn2nc(C3CCCCC3)n(-n3cccc3)c2=S)c1 16777977 VVWLSJLSFGCVGH-UHFFFAOYSA-N 409.559 4.830 0 40 HJAB O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1c[nH]c2ccccc12 16850342 HDBCGYMLQXUSGY-UHFFFAOYSA-N 410.930 4.923 0 40 HJAB Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c1 17090072 UCRMPLCBQZEMAO-HNNXBMFYSA-N 414.571 4.632 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4F)cc3O)oc2c1 17092663 UHSQFUALVKHBKD-UHFFFAOYSA-N 421.453 4.775 0 40 HJAB Cc1ccc(CC(=O)N2CCC(c3ncc(-c4cc(C)no4)c(C(C)C)n3)CC2)cc1 19209362 QOMDARVMTYQPGI-UHFFFAOYSA-N 418.541 4.821 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2ccc(F)c(Cl)c2)c1 19352590 SGBOEMZGOVLYRJ-GOSISDBHSA-N 409.910 4.952 0 40 HJAB CC(C)(C)c1csc(CCNC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)n1 19661997 PTXBDBUZOFNCIY-UHFFFAOYSA-N 400.935 4.524 0 40 HJAB COc1cccc(-c2nc(COC(=O)c3cncn3-c3ccc(F)cc3)cs2)c1 21510049 FNNHCBWKECPRBH-UHFFFAOYSA-N 409.442 4.501 0 40 HJAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccccc1I 21577772 AVPGUBSZVKVYCQ-UHFFFAOYSA-N 424.257 4.673 0 40 HJAB O=C1C[C@H](C(=O)Nc2nc(-c3ccc(F)cc3Cl)cs2)c2ccccc2N1 21898421 RHGHFTOBRHYHEV-ZDUSSCGKSA-N 401.850 4.667 0 40 HJAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)NCc3ccccc3)ccc21 22509070 FVXDOJCSZKDHQP-UHFFFAOYSA-N 409.530 4.806 0 40 HJAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N2CCCCC2)cc1 28288942 BDSHNDIQEMXYKU-HXUWFJFHSA-N 424.928 4.712 0 40 HJAB COC(=O)c1c(C)[nH]c(-c2cccc(OC)c2)c1[C@@H]1C(=O)Nc2c(Cl)cccc21 32092806 IEKSDNZOFMSZEY-QGZVFWFLSA-N 410.857 4.523 0 40 HJAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(OCc2ccccc2)cc1 32118724 AFHUOSUWNFHYHF-UHFFFAOYSA-N 420.578 4.695 0 40 HJAB O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCN(c2ccccc2O)CC1 35414095 DQCXKBBZDKZUQI-VWLOTQADSA-N 411.505 4.620 0 40 HJAB C[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)[C@@H]2CCCC[C@H]12 36390112 ARPAUOSNBZKAIQ-ZPMCFJSWSA-N 412.555 4.528 0 40 HJAB COc1ccccc1/C=C1\SC(=O)N(CNc2cccc(C(F)(F)F)c2)C1=O 38204096 HXWPLYQZDQLZPS-SXGWCWSVSA-N 408.401 4.820 0 40 HJAB CCCOC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 48020421 PLHSJFQDOAGEQG-QGZVFWFLSA-N 406.486 4.541 0 40 HJAB Cn1c2c(sc1=O)[C@@H](c1ccc(F)c(F)c1F)CC(=O)N2c1ccc(Cl)cc1 49543915 UQBXLADWHISNAB-GFCCVEGCSA-N 424.831 4.718 0 40 HJAB CCCOc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)ccc1Br 54363249 HNROJEBPVQTMQR-UHFFFAOYSA-N 406.386 4.731 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(N3CCOC3=O)c2)cc1 58407777 DVWRYMGITMGHQQ-NRFANRHFSA-N 409.486 4.801 0 40 HJAB Fc1ccc(-c2cccc([C@@H]3CCNC[C@H]3COc3ccc4c(c3)OCO4)c2)cc1 67665299 MFUAMYHEVCIZFT-REWPJTCUSA-N 405.469 4.994 0 40 HJAB in-vitro Cc1ccc(N2C(=O)CC[C@H](C(=O)OC[C@@H]3CCCCO3)[C@@H]2c2cccs2)cc1 69007488 SXVNDXPNDWOTIV-CNNODRBYSA-N 413.539 4.653 0 40 HJAB CC(C)n1c(CCNC(=O)CCCc2cn(C)c3ccccc23)nc2ccccc21 79495122 QDEXLALUGXTDKI-UHFFFAOYSA-N 402.542 4.791 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1ccccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O 96190072 KHQSPRMCVPPRPQ-ZIAGYGMSSA-N 416.399 4.637 0 40 HJAB COc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCC3)cc1 96344594 CSOSKRIPFQNSPI-HSZRJFAPSA-N 420.553 4.520 0 40 HJAB COCCn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2cc(C)ccc21 100872373 FPQRYYMIDSOFRJ-QPLCGJKRSA-N 416.546 4.917 0 40 HJAB CCOC(=O)c1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 102181357 BRVTUOAIIISJNU-VKFLQFAXSA-N 420.347 4.926 0 40 HJAB CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2ON1c1ccccc1 102728607 FNBXZQRPOLLYGF-IPMKNSEASA-N 419.308 4.718 0 40 HJAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)COc1ccc(Br)cc1Cl)C2 103211035 LQXUXTBFWOJPLA-POHZPAGDSA-N 400.744 4.812 0 40 HJAB CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](c3ccc(N(C)C)cc3)[C@@H]1[C@H]2C 105364720 MATUOSYEEAMWHP-UEDMNHLFSA-N 400.563 4.793 0 40 HJAB C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc(Cl)cc2)n1C 108040533 GXCWOOYIBMAPOX-LBPRGKRZSA-N 421.353 4.905 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 136028175 BCPFHFTYCQVWBK-XNYCMSQESA-N 409.294 4.578 0 40 HJAB Cc1cc(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C2)c(O)o1 137819232 SAEJKRNNXQSPSA-HXUWFJFHSA-N 407.447 4.740 0 40 HJAB CCc1ccc(OCC(=O)NCCCc2ccccc2Cl)c(Br)c1 218863874 GNPYDDNZPAGXKU-UHFFFAOYSA-N 410.739 4.793 0 40 HJAB CN1CCC(Oc2ccc(NC(=O)c3ccccc3OCc3ccccc3)cc2)CC1 218988992 KZRVUQLWDFXCEQ-UHFFFAOYSA-N 416.521 4.991 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CSc1ccccc1 222563005 NSBGDHVCGFLLPE-KNQAVFIVSA-N 412.599 4.543 0 40 HJAB CCCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 222840701 AQCMQESWKBWNFP-SFHVURJKSA-N 400.950 4.606 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 222979656 ADIWTHIVUPDXAX-VQTJNVASSA-N 411.962 4.693 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)N[C@@H](C)CC)cc1 223130139 WATFNSAFMVEJPN-OALUTQOASA-N 412.549 4.653 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 223221336 NDZMSPPFOWKRBX-IBGZPJMESA-N 414.977 4.915 0 40 HJAB Cc1cc(C(=O)Nc2cccc(C)c2C)ccc1N(C)S(=O)(=O)c1ccccc1 224190567 RJQWUHBCEZYCTM-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 224195601 XOJIPIKTQSJYNY-XMMPIXPASA-N 422.569 4.548 0 40 HJAB CCOc1ccc(CCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1OCC 224395105 NMUXSDBIJHEZDJ-UHFFFAOYSA-N 413.558 4.909 0 40 HJAB CCOc1ccccc1CCCNC(=S)Nc1ccc(Br)cc1F 225396895 NBOMSKBWYNJENX-UHFFFAOYSA-N 411.340 4.906 0 40 HJAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1cc2ccccc2s1 225620053 NJGIBYVIEBPAEH-KRWDZBQOSA-N 406.507 4.931 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)ccc1O[C@@H](C)CC 225832021 DTGPZUQWSLAFEL-DGGJZMOXSA-N 405.535 4.965 0 40 HJAB CCC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2CN(C)C[C@H](C)c2ccccc2)C1 248126890 PAQLLIFNTBUBHQ-PZJWPPBQSA-N 418.585 4.914 0 40 HJAB Cc1csc2nc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)nc(O)c12 408595019 FRPCOTHYMCLPTB-UHFFFAOYSA-N 400.312 4.743 0 40 HJAB CCOC(=O)C1=CNc2cc(-c3ccc(Br)cc3)nn2[C@H]1c1ccccc1 409025170 RCZWPAKAARMCMI-FQEVSTJZSA-N 424.298 4.775 0 40 HJAB Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=S)NCC(C)C)c(=O)[nH]c2c1 875313 PJTYEAZUJPTWHT-UHFFFAOYSA-N 411.546 4.508 0 40 HJAB CCOc1cc(NC(=S)NCc2ccccc2)c(OCC)cc1NC(=O)C(C)C 919901 ULJKFPHCSNFYIQ-UHFFFAOYSA-N 415.559 4.565 0 40 HJAB O=C(c1cccs1)N(C(=S)N1CCN(c2ccccc2)CC1)C1CCCCC1 1635187 LWCKKTCRDXGVHX-UHFFFAOYSA-N 413.612 4.630 0 40 HJAB COc1ccccc1[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1nccs1 2421101 DSHNGQFXQVHZIP-KRWDZBQOSA-N 424.865 4.661 0 40 HJAB COc1ccc(Cl)cc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 3315491 CSISFBNFLMMYNT-UHFFFAOYSA-N 409.869 4.662 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)NC(C)C)n2-c2ccccc2C(C)C)cc1 3484162 JOUGCRJKJDJMMW-UHFFFAOYSA-N 424.570 4.683 0 40 HJAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccc(C(C)(C)C)cc3)N2C1=O 3636707 AIFBFOSVAYAEPS-HKUYNNGSSA-N 414.571 4.974 0 40 HJAB CC(C)(C)N1C[C@@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CC1=O 4386045 VOASJAFOCIRSDJ-INIZCTEOSA-N 411.933 4.883 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1cc2c(s1)CCCCC2 4768002 CNUAPEMGWUPJNQ-UHFFFAOYSA-N 423.538 4.615 0 40 HJAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2c(C)cccc2C)cc1 4909447 UMUXMACVVHMPIE-UHFFFAOYSA-N 400.478 4.768 0 40 HJAB aggregator O=C(NCc1ccccc1)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 4952964 CJBFKAWJPQWQGP-GOEBONIOSA-N 406.433 4.535 0 40 HJAB COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1cccc(Cl)c1 5019855 NLICLCLEOYXJMP-UHFFFAOYSA-N 411.885 4.946 0 40 HJAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc(Br)ccc1Cl 5441614 VQBXBVMMAUXTRZ-UHFFFAOYSA-N 407.695 4.872 0 40 HJAB COc1ccc(CCNc2cc(C)nc3c(-c4ccccc4)c(C)nn23)cc1OC 5576648 FGFZOQZXZJVXND-UHFFFAOYSA-N 402.498 4.685 0 40 HJAB O=C(Nc1ccc(Cl)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCCC1 5626484 ZFZYPZCLZJCZKC-UHFFFAOYSA-N 410.905 4.943 0 40 HJAB c1ccc(COC[C@H]2O[C@H]3c4ccccc4CO[C@@H]3[C@H]2OCc2ccccc2)cc1 5882331 DDSMNKYRACJCFU-RSYZFUPGSA-N 402.490 4.828 0 40 HJAB COc1ccc(CCNC(=O)Cn2c(SCCC(C)C)nc3ccccc32)cc1 6313606 KIVWPMUQEXWXQN-UHFFFAOYSA-N 411.571 4.542 0 40 HJAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(OC)c(Cl)c2)c(C)c1 6629937 KTFVUYQGRHYAPM-UHFFFAOYSA-N 405.951 4.630 0 40 HJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCCCC2)cc1OC 7916532 YILMLGRMXZINLE-UHFFFAOYSA-N 405.498 4.619 0 40 HJAB Fc1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3C3CC3)n2)cc1 9579243 CSLWDQRBSPSSCE-UHFFFAOYSA-N 413.503 4.747 0 40 HJAB O=C(Cc1coc2ccc3ccccc3c12)N1CCC[C@@H](c2nnc3ccccn23)C1 9637949 JISLACATRYPVKT-GOSISDBHSA-N 410.477 4.577 0 40 HJAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CN1Cc1ccc(F)cc1 12539660 YAKNPLSUKVTHCX-LJQANCHMSA-N 417.459 4.879 0 40 HJAB Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)Nc3ncccc3O)cc12 12616295 JUEDCFKXNXKNLB-UHFFFAOYSA-N 418.400 4.767 0 40 HJAB O=S(=O)(N[C@H]1CCSc2ccccc21)c1ccc(Br)cc1Cl 12752367 QTKKFAVWQLTFJM-ZDUSSCGKSA-N 418.765 4.618 0 40 HJAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1ccc4c(c1)-c1ccccc1C4)(C3)C2 12770652 HPYAJHKZDAQVKY-LJQDGHHOSA-N 400.522 4.671 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 12786920 AYGVFKMGMIRKRQ-GJZGRUSLSA-N 412.481 4.544 0 40 HJAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc2c(s1)CCCCCC2 12893911 GMAPVDHBRFQMDU-HNNXBMFYSA-N 405.585 4.644 0 40 HJAB O=C(c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)N1CCC(c2ccccc2)CC1 13019152 HNZQSMLSEZYVPR-UHFFFAOYSA-N 424.500 4.503 0 40 HJAB CCOc1cc(/C=C/C(=O)NCC(=O)Nc2c(C)cccc2C)ccc1OCC(C)C 13069594 VGSVQKSJZGFFKW-ACCUITESSA-N 424.541 4.505 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccncc2)N1Cc1ccccc1Cl 13212869 QROFTUFDLAZZTM-FQEVSTJZSA-N 402.837 4.587 0 40 HJAB Cc1ccc(N2CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)C[C@@H]2C)cc1 14216426 HJEZVWPMELFVSJ-KRWDZBQOSA-N 407.539 4.558 0 40 HJAB COc1cc(C(=O)Nc2ccc(Br)cc2Cl)ccc1OC(F)F 14785086 HVRFPIMVHIIILN-UHFFFAOYSA-N 406.610 4.965 0 40 HJAB Cc1cc(Br)ccc1NC(=O)CCCc1nc(-c2ccccc2)no1 16204699 UTLCGYGWFNEDPW-UHFFFAOYSA-N 400.276 4.769 0 40 HJAB FC(F)(F)c1cc(SC[C@@H]2COc3ccccc3O2)nc2cc3c(cc12)OCO3 16524990 WOEXKSIMGDPAKA-NSHDSACASA-N 421.396 4.914 0 40 HJAB CCc1ccccc1NC(=O)Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S 16807220 NDOOOYXNAPPZLJ-UHFFFAOYSA-N 409.559 4.776 0 40 HJAB COc1cccc([C@@H]2CN(C(=O)C(C)(C)C)[C@H]3CCN(Cc4ccc(F)cc4)C[C@H]32)c1 19081677 MOLRRTXJPVWFNU-HJOGWXRNSA-N 424.560 4.697 0 40 HJAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 19236825 MHGQPPKWKXRZQY-PXDATVDWSA-N 417.528 4.912 0 40 HJAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CC23CCC3)C1 19528815 VGJILEQHACZUOZ-NLFFAJNJSA-N 422.594 4.503 0 40 HJAB COc1ccccc1CN1CCC[C@@H]([C@@H](NC(=O)c2cccs2)c2ccccn2)C1 19570238 BFNRFIIFQPRIMC-AUSIDOKSSA-N 421.566 4.535 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc(Cn3nc(C)cc3C)c2)c(OC)c1 19574494 FQYGUJZYBICKKX-QHCPKHFHSA-N 419.525 4.543 0 40 HJAB Cc1ccc(SCCNC(=O)CSCc2ccccc2Br)cc1 20238157 KXZNGEDULKRMHQ-UHFFFAOYSA-N 410.402 4.899 0 40 HJAB CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)[nH]c2C1 20800993 PVMDBQAXISUKTP-UHFFFAOYSA-N 402.450 4.575 0 40 HJAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cc(-c2cccs2)on1 21805450 WSORETWKEXYVDF-KRWDZBQOSA-N 401.919 4.623 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2ccccc2C(C)(C)C)CC1 23211961 GJCDBYCIOZKNCB-HXUWFJFHSA-N 416.993 4.508 0 40 HJAB Cc1ccc(NC(=O)C[C@H]2C(=O)N(C3CCCCC3)c3nc4ccccc4n32)cc1 23382319 LUQJPLZYTKISTN-NRFANRHFSA-N 402.498 4.594 0 40 HJAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 24631142 KGLSKVSWTSYUDD-SFHVURJKSA-N 415.559 4.662 0 40 HJAB COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)cc2)c1 28527970 AEECIIHULKCUNE-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB O=C(Nc1ccccn1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 32101095 GNJREKXFLCAIMQ-QFIPXVFZSA-N 403.526 4.905 0 40 HJAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1 32759136 QCUBPMSFYCKYDG-QHCPKHFHSA-N 420.534 4.570 0 40 HJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 32779665 WSGNAKNRIAPVPW-SFHVURJKSA-N 419.525 4.962 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(C)n(-c3nccs3)c2C)c1 32809679 CAZHSVICFORVMJ-LJQANCHMSA-N 411.527 4.545 0 40 HJAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(OC[C@H]2CCCO2)c1 32903178 UJIRGJIFFVOYAS-HXUWFJFHSA-N 409.482 4.928 0 40 HJAB CCOc1ccc(C(=O)CSc2nc(-c3ccc(Br)cc3)no2)cc1 35682837 QMAHAJMLNSJAQV-UHFFFAOYSA-N 419.300 4.873 0 40 HJAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2cccc(OC)c2OC(C)C)c1 36366786 FWLAEROCODOUHD-SFHVURJKSA-N 407.470 4.800 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1cnc2c(-c3ccc(F)cc3)cnn2c1C 38829601 FNWIFPFQCYIOSM-UHFFFAOYSA-N 410.836 4.758 0 40 HJAB Cc1coc2c(C)c3oc(=O)c(CC(=O)Nc4nnc(C(C)C)s4)c(C)c3cc12 40284506 IRLQNCCRFBKYKU-UHFFFAOYSA-N 411.483 4.621 0 40 HJAB O=C([C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC[C@@H]1c1cccs1 46754008 HUYHNHCJLKSLLV-GDBMZVCRSA-N 409.477 4.742 0 40 HJAB COc1cc(C(C)=O)ccc1OCCCC(=O)N[C@@H]1CCSc2ccc(F)cc21 48346095 CPDOCHRCCXVXBT-GOSISDBHSA-N 417.502 4.549 0 40 HJAB Cc1ccc(-c2noc(C3CCN(CC(=O)Nc4cccc(Cl)c4C)CC3)n2)cc1 49403304 UFOKZBIOFMLPNQ-UHFFFAOYSA-N 424.932 4.825 0 40 HJAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)c1 59227255 CZIMLRGPAQHQLZ-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2ccc(Cl)c3cccnc23)CC1 59392890 GIGPZGAMPORHIC-UHFFFAOYSA-N 422.912 4.754 0 40 HJAB O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1cc(Cl)ccc1F 67298245 NBBCNURXUNRBQY-NKFKGCMQSA-N 415.833 4.872 0 40 HJAB O=C(c1cn[nH]c1-c1cccc(Br)c1)N1CC=C(c2ccccc2)CC1 72328681 FMENUJJHDUGIRF-UHFFFAOYSA-N 408.299 4.769 0 40 HJAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@]4(C)CCCO4)C3)c(-c3ccncc3)c2c1 72396830 WYHUDCOQGHECKK-CLOONOSVSA-N 403.526 4.813 0 40 HJAB C[S@@](=O)c1ccc(CNc2ccc(OC(F)(F)F)cc2Br)cc1 95996674 VEJHKRCLKJLJBD-QHCPKHFHSA-N 408.239 4.697 0 40 HJAB COc1ccc(CNCc2c(Br)cc(OC)cc2Br)cc1 146172259 ATVFFINKMRNYHG-UHFFFAOYSA-N 415.125 4.519 0 40 HJAB CCOc1c(Cl)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222573548 WWVRPNXBGKDWQG-UYHISHBKSA-N 403.935 4.732 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222596585 BYFVZKUPBDACHZ-PGRDOPGGSA-N 414.977 4.647 0 40 HJAB Cc1cc(OCC(=O)NCCOc2ccccc2C(C)C)cc(C)c1Br 223780773 JPJTYOWMNNRDQM-UHFFFAOYSA-N 420.347 4.763 0 40 HJAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 224105851 ISJPCUXMGWHWII-OAQYLSRUSA-N 420.597 4.700 0 40 HJAB COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C 224200735 BCFSKSIJYJMTQD-PKTZIBPZSA-N 420.582 4.632 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 224214052 FRIBHXUHBQXKSF-QFIPXVFZSA-N 412.599 4.562 0 40 HJAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(CN2CCCCCC2)cc1 224842046 CMQJIYJTOJXQCL-UHFFFAOYSA-N 419.613 4.979 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)N[C@H](C)CC)cc1 225515878 ZFHXZINGHFQXCO-YKSBVNFPSA-N 424.585 4.658 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1NC(C)=O 225715974 PWOQKDOQIQQLGD-UHFFFAOYSA-N 412.536 4.835 0 40 HJAB CCOC(=O)c1cc(NC(=O)C2(OCC)CCC(C)CC2)ccc1O[C@H](C)CC 225834574 KZCSUKVZCHYTNN-WCCYLALTSA-N 405.535 4.965 0 40 HJAB O=C(O)/C=C/c1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1 226323029 BFRIMZOTZJSTNT-NTEUORMPSA-N 402.475 4.578 0 40 HJAB Cc1ccc(NC(=O)[C@]23C(=O)Oc4ccccc4[C@H]2[C@]3(C)C(=O)c2ccccc2)cc1 253592411 ZCAFZRHANIOLSM-BYXVTNLJSA-N 411.457 4.526 0 40 HJAB O=C(Nc1ccccc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408972964 INWODDMMOHGSSK-XMMPIXPASA-N 402.519 4.756 0 40 HJAB CCOC(=O)c1sc(NC(=O)c2ccco2)c(C(=O)OCC)c1-c1ccccc1 409113406 FVGUVIVADUEZKJ-UHFFFAOYSA-N 413.451 4.614 0 40 HJAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C 409344212 IFCMYQSPIJGVNT-DOMZBBRYSA-N 418.950 4.669 0 40 HJAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 537371900 UUFOTIARZLJAMA-XZJROXQQSA-N 424.444 4.687 0 40 HJAB CC(C)c1ccc(C[C@]2(C)Cc3cc(CC(=O)N(CCO)C(C)C)ccc3O2)cc1 2037875263 NASCFJQNGBPSPG-AREMUKBSSA-N 409.570 4.518 0 40 HJAB COc1ccc(-c2nnc(SCCN3CCCCC3)n2-c2ccccc2)cc1OC 1224395 CSVRBGMJOLPQMO-UHFFFAOYSA-N 424.570 4.530 0 40 HJAB CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2617302 PASDYZCFKJPIII-CQSZACIVSA-N 408.420 4.736 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc(F)c(F)c1 2620952 ZLWUUHODSLUHDV-UHFFFAOYSA-N 411.433 4.840 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(C)n1C 2624517 NFLKILAJWXUVKR-UHFFFAOYSA-N 402.523 4.865 0 40 HJAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c1C 2628167 ICWXBCSUYQWNGN-AWEZNQCLSA-N 416.572 4.882 0 40 HJAB CCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 3096076 JJTRVYMPFFTCER-INIZCTEOSA-N 400.906 4.901 0 40 HJAB O=C(COc1cccc(Br)c1)OCc1csc(Nc2ccccc2)n1 3289100 NUAXBSREQROHQX-UHFFFAOYSA-N 419.300 4.771 0 40 HJAB COc1ccccc1CN(C)Cc1nc2sc(C)c(-c3ccccc3)c2c(=O)[nH]1 3326228 VYOPWUFCQVCMGQ-UHFFFAOYSA-N 405.523 4.601 0 40 HJAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 4496172 FOMNJUVBAYPFQI-UHFFFAOYSA-N 401.871 4.545 0 40 HJAB O=C(O)C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(OC2CCCC2)cc1 4653998 CKGFSJKOUFSHNS-DRQCUQGNSA-N 411.542 4.856 0 40 HJAB CC(C)n1c(C(=O)O[C@H](C(=O)NC2CCCC2)c2ccccn2)cc2sccc21 4924272 NIVKKIRFJOSJBK-FQEVSTJZSA-N 411.527 4.636 0 40 HJAB CCOC(=O)c1ccc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)cc1 5021693 WCHJARUYXDXFRK-UHFFFAOYSA-N 412.424 4.952 0 40 HJAB Cc1cc(C(=O)CSc2nccn2-c2cccc(F)c2)c(C)n1C[C@H]1CCCO1 5264022 XUPDKBMXIODYPY-LJQANCHMSA-N 413.518 4.584 0 40 HJAB CCCCOc1ccc(Cc2nn(CCN(CC)CC)c(=O)c3ccccc23)cc1 5420633 OWMQJKKXJLZFQD-UHFFFAOYSA-N 407.558 4.508 0 40 HJAB COc1ccc([C@H]2NC(=S)C3=C(CC(C)(C)OC3)N2CCc2ccccc2)cc1 5500122 XYTWHVDVEQXCGR-QFIPXVFZSA-N 408.567 4.622 0 40 HJAB CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc12 5508704 GJAPLKMBCNCABG-UHFFFAOYSA-N 401.484 4.842 0 40 HJAB O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cccc(F)c1 5590503 VBSFBQJUINQHRK-UHFFFAOYSA-N 409.417 4.900 0 40 HJAB COc1ccc(OC[C@H](O)CNCC23CC4CC(CC(C4)C2)C3)c(C(C)(C)C)c1 5831660 QNBCAHUFGMCPGX-BHVBSVRVSA-N 401.591 4.538 0 40 HJAB O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc12)Nc1ccccc1Cl 6191264 GQHWOUNKXTVPNZ-UHFFFAOYSA-N 417.852 4.746 0 40 HJAB CCOc1c(Br)cc(C(=O)NCc2cccc3ccccc23)cc1OC 6207064 OSVFOVHDXUKFJX-UHFFFAOYSA-N 414.299 4.940 0 40 HJAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3n2CCc2ccccc2)C1 6566854 AFGUNWJQHNEXCI-OALUTQOASA-N 407.583 4.876 0 40 HJAB COc1cccc([C@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)c1OC 6679008 JFBNXYZNRVZXLM-QVKFZJNVSA-N 423.538 4.670 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)c1oc2ccc(Br)cc2c1C 6839176 VCBZIGSHQHXMEU-UHFFFAOYSA-N 416.271 4.916 0 40 HJAB Cc1cc(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)cc2)ccc1Cl 6988402 MSURVVSXWHBWNO-UHFFFAOYSA-N 403.869 4.659 0 40 HJAB Cc1ccc2nc(CSc3nnc(N4CCCCC4)n3-c3ccccc3)cn2c1 7072228 MKIBOQGAHCHGHE-UHFFFAOYSA-N 404.543 4.506 0 40 HJAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(F)cc2)C(=O)O)o1 7342170 POKDCIICGFPMLY-NVNXTCNLSA-N 406.822 4.756 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)o2)c1 7834418 SHHMNWKYILSEIJ-INIZCTEOSA-N 407.539 4.893 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 8188927 UWMIAVGZJCLBOH-UHFFFAOYSA-N 413.481 4.887 0 40 HJAB Cc1ccc(-c2ccc(C(=O)NCCCNC(=O)c3cccs3)o2)cc1Cl 8402885 FDHGCTAWQQBMHK-UHFFFAOYSA-N 402.903 4.520 0 40 HJAB Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(Cl)cc2)cc1 8476249 HTPZYVVWIUXBDC-UHFFFAOYSA-N 402.885 4.826 0 40 HJAB Nc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2nc3c(cc12)N1CCC3CC1 8763208 VMFKLOVUHFUFSO-UHFFFAOYSA-N 418.444 4.847 0 40 HJAB COc1ccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccccc3)[nH]2)cc1 9674135 TVWBXRWLCQABNZ-UHFFFAOYSA-N 422.535 4.940 0 40 HJAB Cc1ccc(Cn2c(CO)cnc2SCC(=O)Nc2cccc3ccccc23)cc1 10336224 LNLVTXYLOFUXDJ-UHFFFAOYSA-N 417.534 4.616 0 40 HJAB Cc1cc(=O)oc2cc(OCC(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)ccc12 10810968 TWZFZHFFESPAFF-UHFFFAOYSA-N 423.852 4.710 0 40 HJAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NC1Cc2ccccc2C1 11865904 OTWQCCTXWDIODB-UHFFFAOYSA-N 403.334 4.943 0 40 HJAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H]1Cc2ccccc2S1 12765529 YYPTZDUKQOIVIT-HXUWFJFHSA-N 404.539 4.635 0 40 HJAB CCN(Cc1nc(-c2cccc(OC)c2)no1)Cc1ccc(Br)s1 12856579 NVLYYUULSPZKQG-UHFFFAOYSA-N 408.321 4.591 0 40 HJAB COc1ccc(-c2nnc3sc(-c4ccc(C(F)(F)F)cc4)nn23)cc1OC 12926651 XIMJECUIPDDWEJ-UHFFFAOYSA-N 406.389 4.556 0 40 HJAB CCCOc1c(Cl)cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OC 13095299 MLHLWEGDYXXNPP-UHFFFAOYSA-N 416.949 4.717 0 40 HJAB C[C@H]1CN(C(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)C[C@@H](C)O1 13128348 CTNDVBYNPRXBPE-BETUJISGSA-N 419.597 4.595 0 40 HJAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 13687354 SWAYUZSHKJFWOX-UHFFFAOYSA-N 402.494 5.000 0 40 HJAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C=C/c1ccc(Cl)cc1Cl 14186068 DJINSYUKJUGIJV-VQHVLOKHSA-N 413.251 4.772 0 40 HJAB C[C@@H](Sc1ncc(-c2cccc(Br)c2)o1)C(=O)NCc1ccccc1 16843875 CNAXESIMXHYBFR-CYBMUJFWSA-N 417.328 4.901 0 40 HJAB COC(=O)C[C@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc(Cl)cc1 17587955 IXCVDBZGYGJTQS-ZDUSSCGKSA-N 406.916 4.559 0 40 HJAB CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cccs3)CC2)n1 19084757 WHRQRAMMVZISHF-UHFFFAOYSA-N 406.555 4.917 0 40 HJAB CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]21 19499193 XRAGZRIAEYPBMT-YPAWHYETSA-N 400.925 4.706 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(Br)s1 19617820 WHRANIVAFBEYCN-UHFFFAOYSA-N 404.333 4.585 0 40 HJAB CCc1nc2c(C)c(C)ccc2c(C(=O)N2CCN(Cc3ccccc3)CC2)c1C 20081408 NKFUZBZGWLXQLT-UHFFFAOYSA-N 401.554 4.680 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)COc2ccc(CC)cc2Br)cc1 20452937 GUQNRCHKJTXSBZ-AWEZNQCLSA-N 406.320 4.666 0 40 HJAB CCOc1cc(CNn2c(C)n[nH]c2=S)cc(Cl)c1OCc1ccc(F)cc1 22112399 NPWDNNZUSIASTD-UHFFFAOYSA-N 422.913 4.763 0 40 HJAB O=C(c1cccc(OCc2ccccc2Cl)c1)N1CCN(c2ccccc2)CC1 22258373 YJQQJYRNODTKNL-UHFFFAOYSA-N 406.913 4.881 0 40 HJAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(Br)s1 24560630 AXKIILNTAJVZSG-OAHLLOKOSA-N 416.344 4.563 0 40 HJAB Cc1cccc(NC(=O)CN2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1C 26456318 VMOPJNZBIIGJPH-IBGZPJMESA-N 420.340 4.652 0 40 HJAB Cn1c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc2sccc21 26521314 YLOUXVCYPUUBIP-UHFFFAOYSA-N 415.562 4.787 0 40 HJAB Cc1cc2occ(CC(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)c2cc1C 27093369 LTFHJBHIKTZFJB-UHFFFAOYSA-N 418.415 4.708 0 40 HJAB Cc1cccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)N(CC(C)C)c3ccccc32)c1C 32090876 QHZVYTAUJPFNBW-VWLOTQADSA-N 414.509 4.770 0 40 HJAB COc1ccccc1NC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12 35291547 CWOUCVNERCKEJD-UHFFFAOYSA-N 415.518 4.960 0 40 HJAB COc1cc(CNC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccncc1 48345105 DJHBPPHLIQKANW-UHFFFAOYSA-N 417.292 4.906 0 40 HJAB Cc1cc(F)ccc1NC(=O)CSc1cc(NCc2ccc(Cl)cc2)ncn1 49006725 HJXSXWFNRDHUHU-UHFFFAOYSA-N 416.909 4.920 0 40 HJAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2c(Cl)ccc3nsnc23)c1 59294518 XBEVEXMYUPGFOI-JTQLQIEISA-N 420.947 4.649 0 40 HJAB CC1=C2C[C@@H]3[C@@H](CN4CCN(c5cccc(C)c5C)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 61992810 DMBWJACGBGGCRK-IZJWWWMRSA-N 422.613 4.884 0 40 HJAB biogenic O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc(Cl)cc1)N1CCOCC1 67288376 FOLFXYLREUOGFB-UHFFFAOYSA-N 416.308 4.626 0 40 HJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cccc(F)c3C)oc12 67299141 VQXNWTYZZVBZAP-RWEWTDSWSA-N 406.413 4.644 0 40 HJAB CC(C)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 71760784 YPHPFYIQWCZNSO-UHFFFAOYSA-N 417.600 4.794 0 40 HJAB Fc1cccc(-c2nnc([C@H]3CC34CCN(c3ncnc5sccc35)CC4)o2)c1 71890504 IYISHFYASYIDKD-MRXNPFEDSA-N 407.474 4.655 0 40 HJAB CC(=O)Nc1ccc(CN2CCC[C@H](c3cncc(-c4cccc(C)c4)n3)C2)cc1 72359719 TWLKATWOGCRISI-QFIPXVFZSA-N 400.526 4.790 0 40 HJAB CC(C)c1ccc(OCCc2cc([C@@H]3CCN(C(=O)Cc4ccccc4)C3)n[nH]2)cc1 72380102 LKQFFFANWVOJRJ-JOCHJYFZSA-N 417.553 4.713 0 40 HJAB Cc1ccccc1-n1nc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c2c1CCC2 89700337 IFRUMQUOPLBNFW-UHFFFAOYSA-N 407.424 4.736 0 40 HJAB CNc1sc(C(=O)c2ccccc2)c(C)c1C(=O)Nc1cc(OC)ccc1OC 96191593 DRFWOMVRKMTCNP-UHFFFAOYSA-N 410.495 4.599 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 96234456 NBXQBVVDCCKLQB-HNNXBMFYSA-N 405.907 4.658 0 40 HJAB O=C(C[C@@H]1CC2(CCN(C(=O)C3CCCCC3)CC2)Oc2ccccc21)N1CCCC1 96242977 UMEUZABJLPRUQF-OAQYLSRUSA-N 424.585 4.507 0 40 HJAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 102706089 UTTZDGLCMGGDLF-PCCBWWKXSA-N 422.843 4.530 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 222393896 YWWHAIXZHVANSB-NRFANRHFSA-N 400.950 4.523 0 40 HJAB COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 222856877 JAGKPDWHFLODPV-RTWAWAEBSA-N 421.522 4.509 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1C1CCCCC1 223086483 FPODIQQJFLFBDS-VXKWHMMOSA-N 403.555 4.573 0 40 HJAB CN1CCC(Oc2ccc(NC(=O)CSCc3ccc(Cl)cc3F)cc2)CC1 223751427 XADJTHOPNIGMFV-UHFFFAOYSA-N 422.953 4.824 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1 223933037 PAAUPLRIXACRAT-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccc(C(C)(C)C)cc1 224519439 BXTCEBLPJBRICA-JOCHJYFZSA-N 411.542 4.871 0 40 HJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)s1 224859128 HISSMYDEDKSZCN-MSOLQXFVSA-N 401.944 4.988 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(Cl)c1 224997009 IETGVKJXRZBFEQ-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C(C)C)CC1 257331577 XTLFIOHGVBQUKJ-UHFFFAOYSA-N 412.599 4.747 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(Cl)c(OC)c(OC)c3)N21 260759520 GQYGGFCBSOBVGD-XWIAVFTESA-N 403.935 4.732 0 40 HJAB CCOc1ccc(Cl)cc1C(=O)Nc1ccccc1I 408588497 WPBZNGLXBIYRSY-UHFFFAOYSA-N 401.631 4.596 0 40 HJAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)c1 408642712 PQGLYLCRFQDCBC-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(-c2ccccc2C(=O)O)o1 408802138 DLLNJEOFCYLREA-UHFFFAOYSA-N 409.418 4.547 0 40 HJAB Cc1ccc(CN(c2ccc(C(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)cc1 409027198 BYFDUEICQPTNGF-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)Nc1ccc(Cl)cc1 409153082 GVOWUXBHIDTKDD-OQLLNIDSSA-N 407.278 4.668 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)cc1 682398 TYINDGNADNDGSZ-NSHDSACASA-N 413.109 4.926 0 40 HJAB Cc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)c1 867597 NTTGJDUSUSZDIT-INIZCTEOSA-N 404.495 4.955 0 40 HJAB O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)Nc1ccc(F)cc1 904291 LLFAINFNKZRSJG-UHFFFAOYSA-N 411.506 4.715 0 40 HJAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(O[C@H](C)C(=O)OCC)cc12 1463685 UOJNKXNZAZAYGX-CQSZACIVSA-N 412.438 4.616 0 40 HJAB biogenic CCCCOc1cccc(-n2c(N)c(C(=O)OCC)c3nc4ccccc4nc32)c1 2282540 XOCKHCBAZKMRME-UHFFFAOYSA-N 404.470 4.512 0 40 HJAB CCOC(=O)c1c(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)sc(C)c1C 2498163 NZMXZNGSJCXGPN-ZDUSSCGKSA-N 404.532 4.933 0 40 HJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1ccc(F)cc1 2690295 NQMDBXQPMMUGKG-UHFFFAOYSA-N 419.427 4.958 0 40 HJAB Cc1ccc(-c2csc(CCn3nc(C)c4c(C(F)(F)F)cc(=O)[nH]c43)n2)cc1 3253987 RUNXSSDQOPIDTM-UHFFFAOYSA-N 418.444 4.726 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)NCc3ccc(Cl)cc3)s2)cc1C 3286776 MLKPNUQFWVBGGS-UHFFFAOYSA-N 418.975 4.960 0 40 HJAB O=C(Nc1nc(-c2ccccc2)cs1)c1nn(-c2ccccc2)c(=O)c2ccccc12 3412169 FXLMGHZORQEYPK-UHFFFAOYSA-N 424.485 4.762 0 40 HJAB Cc1ccc(C)c(Cn2cc(SCC(=O)NC[C@H]3CCCO3)c3ccccc32)c1 4060896 VIMGTOXFNIDOMW-HXUWFJFHSA-N 408.567 4.694 0 40 HJAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4nnc(C)s4)c23)cc1 4215411 PFTODMRMDVKTMF-UHFFFAOYSA-N 413.553 4.557 0 40 HJAB CC[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 4469867 RRZOTDIIIGOAHQ-DXFLKOCDSA-N 418.493 4.776 0 40 HJAB Nc1c(C(=O)Nc2ccccc2F)c2ccccn2c1C(=O)c1ccc(Cl)cc1 4585246 GBLJRMXHEIAENK-UHFFFAOYSA-N 407.832 4.797 0 40 HJAB COc1ccc(Nc2nc(C(=O)OCC(=O)c3cccc(Cl)c3)cs2)cc1 4676125 YGKKJFQMFDKWFZ-UHFFFAOYSA-N 402.859 4.588 0 40 HJAB O=C(Nc1cccs1)N1CCn2cccc2[C@@H]1c1ccc(Br)cc1 4854390 OWLKRMVWMCRSBW-KRWDZBQOSA-N 402.317 4.949 0 40 HJAB C[C@@]12C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]1ON(c1ccccc1)[C@H]2c1ccccc1 4957691 JMURSCATIIKWMK-IMSXRSKXSA-N 418.880 4.781 0 40 HJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)Cc1ccc(Br)cc1 5018377 GNKPYOJGVNRVQX-FHLIZLRMSA-N 411.336 4.539 0 40 HJAB CC(C)(C)CC(=O)N(Cc1cc(-c2ccccc2)cn2nnnc12)C1CCCCC1 5059597 HWVXGVWXOGDDTB-UHFFFAOYSA-N 405.546 4.889 0 40 HJAB Cc1cccc(S(=O)(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c1 5108329 VZFRDMUBOVTAFW-UHFFFAOYSA-N 406.960 4.601 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4c(C)cccc4C)c(=O)c23)s1 5351948 AYVPZEGZGSTOQO-UHFFFAOYSA-N 409.536 4.750 0 40 HJAB C[C@@H]1CCc2sc(C(=O)O[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)cc2C1 5773210 HJWGKDLZRFXPJD-NXEZZACHSA-N 413.326 4.759 0 40 HJAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cccnc3)n2)cc1 5896523 AHHXERXVSPXPHS-UHFFFAOYSA-N 404.417 4.597 0 40 HJAB Brc1cccc(CNc2nc3ccccc3n2CCN2CCCCC2)c1 6140178 YEDXXHGOLHEHCV-UHFFFAOYSA-N 413.363 4.897 0 40 HJAB CCCCOc1cccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c1 6397799 BQKUAXOWLFNIIG-UHFFFAOYSA-N 414.461 4.918 0 40 HJAB CCc1cccc(CC)c1NC(=O)COc1ncnc2ccc(Br)cc12 6507329 DBKARNWVKMSNPB-UHFFFAOYSA-N 414.303 4.535 0 40 HJAB Cc1cc(C)cc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c1 6572211 TZCRZCOVWTVHLG-UHFFFAOYSA-N 413.521 4.518 0 40 HJAB CC(=O)c1ccc(NC(=O)Cc2c(C)c3c(cc(C)c4c(C)coc43)oc2=O)cc1 6623883 PNIMABPEUKRUKC-UHFFFAOYSA-N 403.434 4.848 0 40 HJAB biogenic CC(C)c1ccc(NC(=O)CSc2nccn(-c3cccc(Cl)c3)c2=O)cc1 6915368 FXSYAQINSNBGTL-UHFFFAOYSA-N 413.930 4.740 0 40 HJAB Cc1cccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)c1C 7882410 QNFJWIBETGEFMU-ZDUSSCGKSA-N 410.823 4.967 0 40 HJAB CCCN1C(=O)c2ccccc2N[C@@H]1c1cn(Cc2ccccc2)nc1-c1cccnc1 7886679 WKUOCDDLCAHKJX-VWLOTQADSA-N 423.520 4.970 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C)c(Br)cc3C)CC2=O)cc1C 7928008 XYUIRKHQWXVGIF-INIZCTEOSA-N 415.331 4.674 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O 8434311 ZTJNRSNOICUHNI-RTBURBONSA-N 404.510 4.743 0 40 HJAB Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(F)cc2)cc1C 8476945 UBGGPAFTPFPQTL-UHFFFAOYSA-N 400.457 4.620 0 40 HJAB COc1ccc2[nH]c(C)c(-c3csc(NC(=O)c4cccc(NC(C)=O)c4)n3)c2c1 8991200 LZPHBRVJSFJMMX-UHFFFAOYSA-N 420.494 4.819 0 40 HJAB COc1ccc(CCC(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1 9134440 DXFQAEGTSJIJRN-UHFFFAOYSA-N 402.450 4.649 0 40 HJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCC[C@H](c2nc3ccccc3s2)C1 9516701 LTMUYJOVEVVSMX-HKUYNNGSSA-N 424.570 4.615 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 12529122 QQOQGYXJCRJICJ-GASCZTMLSA-N 418.896 4.900 0 40 HJAB CCCCCOc1ccc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc1 13023338 IXTGPZHYNCAVNH-SAPNQHFASA-N 404.466 4.608 0 40 HJAB Cc1cccc(-n2c(/C=C3\C(=O)N(C)c4ccc(C)cc43)nc3ccccc3c2=O)c1 13590248 NDYKHPJMEPUDNS-QNGOZBTKSA-N 407.473 4.520 0 40 HJAB O=S(=O)(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 13674657 REVMEBCXNWEDOI-UHFFFAOYSA-N 405.878 4.537 0 40 HJAB O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(NC(=O)c2cccs2)cc1 13843335 JKMQSWOURHGQSR-UHFFFAOYSA-N 400.843 4.604 0 40 HJAB COCc1cc(C)nc2sc(-c3nc(-c4cccnc4)no3)c(-n3cccc3)c12 15107940 ZBVFGEWEIAXHOV-UHFFFAOYSA-N 403.467 4.654 0 40 HJAB COc1cccc(-c2[nH]ncc2CN[C@H](Cc2ccsc2)c2ncccc2C)c1 19237655 RZTYIBQOPANVHB-OAQYLSRUSA-N 404.539 4.924 0 40 HJAB O=C(c1ccccc1)N1CCC[C@@H](c2nc(-c3ccncc3)ncc2-c2ccncc2)C1 19368720 VZHFPIXEWQCFSS-JOCHJYFZSA-N 421.504 4.620 0 40 HJAB Cc1nc([C@]2(O)CCCN(C3CCCC3)CC2)sc1CCOc1ccccc1F 19705413 YRNGPYZYZFVAJX-QHCPKHFHSA-N 418.578 4.828 0 40 HJAB Cc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C3CCCCC3)CC2)cc1 20121609 ZKCFCARIMYYOFO-DEOSSOPVSA-N 422.621 4.526 0 40 HJAB COc1c(C(=O)Nc2cccc(C(=O)O)c2)cc2ccccc2c1Br 20139214 HKSVNKLCQXAVHH-UHFFFAOYSA-N 400.228 4.561 0 40 HJAB COC(=O)CCCCCCCCCCNC(=O)/C=C/c1ccc(OC)c(OC)c1 20258841 SLSXCNKTQQKJPZ-JQIJEIRASA-N 405.535 4.517 0 40 HJAB O[C@@H](CN1CCN(c2ccccc2Cl)CC1)Cn1c2ccccc2c2ccccc21 23212007 IRNJFJYZPYKYHH-IBGZPJMESA-N 419.956 4.631 0 40 HJAB COc1ccc(CN[C@@H]2c3ccccc3C(=O)N2CCc2ccc(Cl)cc2)cc1 23343429 DKUAWFZSGIVDHU-QHCPKHFHSA-N 406.913 4.836 0 40 HJAB COc1ccc(N(Cc2cc(F)cc3cccnc23)S(=O)(=O)c2ccccc2)cc1 31607886 FKCLHSPRDXVCCN-UHFFFAOYSA-N 422.481 4.778 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)N2CCC(CCN3CCCCCC3)CC2)cc1 32593849 PLAUVPBIUZJOSM-UHFFFAOYSA-N 400.607 4.868 0 40 HJAB O=C(NCc1ccc(N2CCCC2=O)cc1)N[C@H](c1ccc(F)cc1)c1cccs1 32795022 XTWHIZGTSPDYFD-JOCHJYFZSA-N 423.513 4.603 0 40 HJAB CCc1ccc2[nH]c(CSCC(=O)Nc3cc(Cl)ccc3OC)cc(=O)c2c1 33064303 KCRGHOBVHUMFAO-UHFFFAOYSA-N 416.930 4.624 0 40 HJAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2nc3c(s2)CCCCC3)cc1 40058969 VOYLJJSCHKHBFC-UHFFFAOYSA-N 401.532 4.940 0 40 HJAB O=C1C(O)=C(c2ccccc2)[C@H](c2ccc(Br)cc2)N1Cc1cccnc1 40485881 QXGXDNWJDUOYJV-FQEVSTJZSA-N 421.294 4.897 0 40 HJAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)c(F)c1 57487265 ZOXGXXWGQMZCRU-UHFFFAOYSA-N 410.836 4.945 0 40 HJAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@@H]1c1ccc(C(C)C)cc1 59227873 CPILVWYKKZUCSH-HXUWFJFHSA-N 408.889 4.654 0 40 HJAB O=C(Nc1cccc(Oc2ncccn2)c1)c1[nH]c2ccccc2c1Br 65489101 RWBXOJHPCVHYNR-UHFFFAOYSA-N 409.243 4.765 0 40 HJAB CC(C)(C)c1cc(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)n(C(C)(C)C)n1 72029129 DGVYMLWQNMVXDF-UHFFFAOYSA-N 417.985 4.839 0 40 HJAB CCOC(=O)COc1c(Br)c(Cl)c(C)c(Cl)c1Br 72193631 QTBXOUPAAYTTFZ-UHFFFAOYSA-N 420.912 4.769 0 40 HJAB O=C(COc1ccccc1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 72349068 HZQPWWSXXKETLV-HXUWFJFHSA-N 404.485 4.597 0 40 HJAB C[C@@H]1CN(c2ccc(CNCc3cccc(Oc4ccccc4)c3)cn2)C[C@@H](C)O1 95348685 ZZFBRRYCLIFFRH-WOJBJXKFSA-N 403.526 4.777 0 40 HJAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)COc1ccc(Br)cc1Cl)C2 103255942 LQXUXTBFWOJPLA-GYOIFBIXSA-N 400.744 4.812 0 40 HJAB C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)[C@H](O)C[C@]1(C)[C@@H](C)CCC(=O)[C@@H]1C 105153068 XFTFIFNAWKMLKL-XWDNAECJSA-N 422.949 4.753 0 40 HJAB biogenic,in-vitro Cc1ccc(OC[C@@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1 218877156 QFVUCSMMIZYXHX-MRXNPFEDSA-N 420.347 4.843 0 40 HJAB COC(=O)c1cc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)ccc1Cl 219462635 YDJHDXRFWCNERD-UHFFFAOYSA-N 422.868 4.659 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C(C)C)C(C)C)cc2)cc1 223994734 SYLRMHFEABDDQB-UHFFFAOYSA-N 420.600 4.620 0 40 HJAB CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1 224152159 RBPSDANVPCDBCH-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Cl 224523110 YZMQTMPEORUIHZ-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)s1 225033947 OLRZUWIOKAEKNO-RTWAWAEBSA-N 408.596 4.926 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 225586815 ROUKFTCIVAPMNV-DYESRHJHSA-N 400.950 4.605 0 40 HJAB O=C([C@@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 247847291 HNVJXRCSADJQAP-UBFVSLLYSA-N 413.561 4.763 0 40 HJAB 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]3CC[C@@]12C 253506558 GRQROVWZGGDYSW-BGNKZTMMSA-N 406.607 4.566 0 40 HJAB O=C(c1ccccc1Cn1cccn1)N1CCC[C@H](Cc2ccc3ncccc3c2)CC1 257206091 BBURJDSTLIEATN-NRFANRHFSA-N 424.548 4.965 0 40 HJAB CCC(CC)C(=O)N1CCC(Cc2cccc(-c3ccccc3C)c2)(C(=O)NC)CC1 257341371 ZKBAHEXFJHSBHK-UHFFFAOYSA-N 420.597 4.996 0 40 HJAB Cc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccc(Br)cc2)cc1 408842229 JFNZMLMSGXVAQJ-XSFVSMFZSA-N 418.294 4.987 0 40 HJAB COC(=O)C(=Cc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1)C(=O)OC 409046268 JUAACOMYDJRXOI-UHFFFAOYSA-N 409.265 4.610 0 40 HJAB O=C(Nc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccc2c(c1)OCCO2 677429 XTTXHIRDOFIKIS-UHFFFAOYSA-N 408.841 4.616 0 40 HJAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 687543 XEQDHLHPDMVXKK-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB C[C@@H](NC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)c1ccccc1 826527 RGHBJAWQAAPWSR-CQSZACIVSA-N 410.399 4.906 0 40 HJAB COc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccccc2)cc1 976948 FYEQCIRTTIGDDR-UHFFFAOYSA-N 401.491 4.918 0 40 HJAB Cc1cccc2cc(CN(Cc3cccnc3)C(=S)Nc3ccccc3)c(=O)[nH]c12 1224275 VPMZCGRHEBIBQN-UHFFFAOYSA-N 414.534 4.631 0 40 HJAB CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@H](C(C)C)OC3 1250514 HZDQYOCHDKNLSW-MRXNPFEDSA-N 400.569 4.965 0 40 HJAB Cc1ccc2c(c1)cc(CN(C(=S)NC1CCCCC1)C1CCCC1)c1nnnn12 1346543 VQIGLKWHZPIRRD-UHFFFAOYSA-N 422.602 4.538 0 40 HJAB Cc1ccc2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)c3cnccn3)cc2c1 1367657 ZFEYWWJPUFPAHY-UHFFFAOYSA-N 420.875 4.968 0 40 HJAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc(F)cc2)cc1 2202063 MTYASSVUKVICFG-UHFFFAOYSA-N 404.441 4.680 0 40 HJAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1cc(Cl)cc(Cl)c1 2265763 CRPXIZOKAKDZQP-UHFFFAOYSA-N 406.273 4.506 0 40 HJAB CCCCc1nc2sc3c(SCC(=O)O)nc(SC)nc3c2c2c1CCC2 2428172 KQGNBHSZZCKCFJ-UHFFFAOYSA-N 419.597 4.969 0 40 HJAB O=C(NCc1ccc(F)cc1)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 2474763 HSFCFYUEVFVHPG-ZBFHGGJFSA-N 424.423 4.674 0 40 HJAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Oc1ccc2c(c1)OCO2 2618657 ZVSIGXMKUQNQER-LJQANCHMSA-N 423.852 4.536 0 40 HJAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1n[nH]c(=O)c2ccccc12 2657050 JLFDRYGOTZRJSL-UHFFFAOYSA-N 424.485 4.966 0 40 HJAB Cc1sc2nc(COC(=O)c3cccc(Oc4ccccc4)c3)[nH]c(=O)c2c1C 3376570 UPYHUGKTKXJAAQ-UHFFFAOYSA-N 406.463 4.751 0 40 HJAB Cc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc(Cl)cc2)n2ccccc12 4585207 WRIILXFWVKLIKE-UHFFFAOYSA-N 403.869 4.967 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c(C)n(C)c3ccccc23)cc1 4734660 KHVNGUYDVYTWKM-AREMUKBSSA-N 423.516 4.979 0 40 HJAB COc1ccccc1CNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 4743827 NGWKTMRBIURHJX-UHFFFAOYSA-N 419.477 4.722 0 40 HJAB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C(C)C)c3ncnn32)cc1 4816782 HJZYYPSHSVKLCO-WOJBJXKFSA-N 410.905 4.664 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2c3ccccc3C[C@H]2C)c1 6707708 FZXHPQAAWVODAQ-GOSISDBHSA-N 420.534 4.696 0 40 HJAB COc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(Br)cc32)cc1 6973438 VRHBYWLXUQFXKQ-UHFFFAOYSA-N 406.283 4.892 0 40 HJAB Nc1c(C(=O)N2CCCCCC2)sc(=S)n1-c1cccc(C(F)(F)F)c1 7499903 SNJGSDYHKDZRRT-UHFFFAOYSA-N 401.479 4.885 0 40 HJAB COc1ccc(-c2nc(COC(=O)c3cc(C)n(C4CC4)c3C)cs2)cc1OC 7575721 FTDKPPWWBVRYMU-UHFFFAOYSA-N 412.511 4.938 0 40 HJAB O=C(c1ccccc1)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 8323851 XQROOSTYPAMDMB-JOCHJYFZSA-N 413.473 4.666 0 40 HJAB O=C(/C=C/c1ccc2ccccc2n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8709554 UHPBTIQUOUWBSK-UFSNDUKISA-N 400.478 4.773 0 40 HJAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N[C@@H]1CCCc2ccccc21 8862144 DZGMIAPTNDXKTN-LJQANCHMSA-N 424.595 4.551 0 40 HJAB O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 9048256 RMYATVOSYYIBBE-WMLDXEAASA-N 412.820 4.567 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(C)ccc3C)c2C)cc1 10333654 JUVOPHQTAGMGKB-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1NS(C)(=O)=O 10365889 ZEHORPYQTCPGBC-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB Cc1cccc(NC(=O)CN(C)CCC(=O)Nc2cc(Cl)ccc2Cl)c1C 12763126 LSQQMOIQTIUANO-UHFFFAOYSA-N 408.329 4.509 0 40 HJAB COc1cc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c(OC)cc1Cl 12764010 AREIYPFYAVYHHG-UHFFFAOYSA-N 413.817 4.714 0 40 HJAB O=S(=O)(c1ccccc1F)N(Cc1coc(-c2ccccc2)n1)c1ccccc1 13002894 AHZVQNPKSNLFNV-UHFFFAOYSA-N 408.454 4.876 0 40 HJAB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2cccc(OC3CCCC3)c2)CC1 19021122 STKDHZBNCHJASK-UHFFFAOYSA-N 410.533 4.775 0 40 HJAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1 19348867 HQAXMORTNCCEEF-RUZDIDTESA-N 409.549 4.871 0 40 HJAB Cc1nc(C)c(C(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)s1 19564833 ISHLRRJCXIPQOS-UHFFFAOYSA-N 406.458 4.562 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2cc(C)cc(C)c2)cc1 19947500 GSSFVIBZVWNUFA-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB COc1ccc(/C=C(/C(=O)NCc2ccc(-n3ccnc3)cc2)c2ccccc2)cc1 20105561 FDORMPFHHQWZRG-KOEQRZSOSA-N 409.489 4.738 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc(Oc3ncnc4ccccc34)cc2)c1 24057604 OZFMQUZMWOXVIQ-UHFFFAOYSA-N 419.506 4.864 0 40 HJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCC[C@H]3c3cccnc3)cc12 24837854 PRYXYKQKBXBBOP-FQEVSTJZSA-N 420.513 4.966 0 40 HJAB CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3ccc(Cl)cc3)cc12 26440746 PMJQAPZQYHTCQI-UHFFFAOYSA-N 420.944 4.955 0 40 HJAB Cc1cc(C)c2oc(C(=O)N(Cc3ccccc3F)c3ccccn3)cc(=O)c2c1 27992177 MADXXDABEQZZOI-UHFFFAOYSA-N 402.425 4.791 0 40 HJAB COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 30946500 FKOBOSGFGCDBDJ-UHFFFAOYSA-N 421.324 4.631 0 40 HJAB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(NC(=O)c3ccco3)cc2)n1 31543828 NDCUCPVYHQIOPF-UHFFFAOYSA-N 400.438 4.587 0 40 HJAB Cc1cccc(Oc2ccccc2NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 32997802 KCJJSBVYUIWWIC-UHFFFAOYSA-N 400.434 4.693 0 40 HJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccc2nsnc2c1 38677486 AERXQCIDXNKKCS-UHFFFAOYSA-N 420.519 4.598 0 40 HJAB CCOc1ccc([C@H](NC(=O)c2ccc(-c3nc(C)no3)cc2)C(C)C)cc1OCC 40051028 DCUNQLUUNVFQQN-JOCHJYFZSA-N 423.513 4.970 0 40 HJAB Cn1cnnc1-c1cccc(NC(=O)CCCCc2ccc(Br)cc2)c1 40133591 GSHODJMYHLUOHW-UHFFFAOYSA-N 413.319 4.596 0 40 HJAB CCn1ncc2c(C(=O)N(C3CC3)[C@@H](C)c3ccccn3)cc(-c3cccs3)nc21 40146226 WIGBVJMLUZYLCA-HNNXBMFYSA-N 417.538 4.941 0 40 HJAB COc1ccccc1C1(CNC(=O)Nc2cccc(C(F)(F)F)c2)CCOCC1 44226408 WWMUCZMNHZIEAM-UHFFFAOYSA-N 408.420 4.584 0 40 HJAB CC(C)n1c(/C=C/[C@H](O)CC(=O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21 44699674 GCZHCYUTPUSSIJ-DXRVJIQQSA-N 409.457 4.836 0 40 HJAB in-vitro Cc1cccc(-c2cc(C[C@@]3(C(=O)O)CCCN(C(=O)CCC4CCCC4)C3)on2)c1 57773700 KSQKBWGVADBKJT-VWLOTQADSA-N 424.541 4.856 0 40 HJAB CC(=O)c1cc(CCC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)oc1C 58055539 AXSCIXPJXOEQPE-HDICACEKSA-N 410.558 4.518 0 40 HJAB CN(Cc1ccccc1C(F)(F)F)C(=O)Cc1ccc(F)c(Br)c1 59579946 WVWJMYSIXPQWLJ-UHFFFAOYSA-N 404.201 4.808 0 40 HJAB CCn1c(SCC(=O)Nc2ncccc2C)nnc1-c1ccc(Cl)cc1Cl 60515109 BYSUUNURSIVSJR-UHFFFAOYSA-N 422.341 4.706 0 40 HJAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4cccc(F)c4)nccn3n2)cc1 67290488 BQNWSOGGHPBNDN-UHFFFAOYSA-N 422.485 4.665 0 40 HJAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)OC[C@@H]3CCCCO3)[C@@H]2c2cccs2)cc1 69007483 SXVNDXPNDWOTIV-NNMXDRDESA-N 413.539 4.653 0 40 HJAB O=C(CCn1ccc2ccc(OCc3ccccc3)cc21)Nc1nnc(C2CC2)s1 71287510 GXDCBTWMBSOJQH-UHFFFAOYSA-N 418.522 4.978 0 40 HJAB Cn1cccc1CNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344105 NBWVFGKTTUPCCM-HSZRJFAPSA-N 419.569 4.526 0 40 HJAB CCc1ccccc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 98072958 SJQUPBPLVPNCMF-UHFFFAOYSA-N 408.239 4.831 0 40 HJAB CCn1c(Cl)nc2cc(C(=O)NCCC(=O)Nc3cccc4ccccc34)ccc21 222552472 DDGDTXRFCDJSJN-UHFFFAOYSA-N 420.900 4.621 0 40 HJAB O=C(NCc1ccc2ccccc2c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 222777082 QCZYDUAFRXGEEU-UHFFFAOYSA-N 416.502 4.571 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C)cc1 223058619 JZSISVGVDNMWMR-OALUTQOASA-N 414.977 4.913 0 40 HJAB C[C@@H]1Cc2cc(Br)cc3c(=O)c(C(=O)Nc4ccccc4Cl)cn1c23 223103895 BAPZEEUIJMDREG-SNVBAGLBSA-N 417.690 4.787 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 223312392 ZCPRGDJLFWRTAJ-QFIPXVFZSA-N 424.585 4.713 0 40 HJAB Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 223337903 CVUZXRIESPMBBL-GOTSBHOMSA-N 414.534 4.946 0 40 HJAB CCCC[C@@H](CC)CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 223539562 HJRATYVSJUEQQF-HXUWFJFHSA-N 416.587 4.523 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 224110596 DPEVCSSOXJPDRU-MRXNPFEDSA-N 421.368 4.725 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2cc(C)ccc2C)c1 224114412 QPWILHPFZIYIGP-IQJJTXKVSA-N 402.494 4.853 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 224137028 KQNVKZBZPWKWOV-HXUWFJFHSA-N 418.990 4.684 0 40 HJAB COc1ccc(CNC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)cc1 224190515 BSMUAMSRNJRBGA-UHFFFAOYSA-N 405.494 4.830 0 40 HJAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccccc1C(C)(C)C 224508369 BYEROIAGAIXPLE-FQEVSTJZSA-N 411.542 4.871 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 225056034 XYBVEPPKOPFQDG-PMACEKPBSA-N 412.599 4.809 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 225474301 UVNJIDMWOSGHJF-HXUWFJFHSA-N 402.538 4.714 0 40 HJAB CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225575408 MTAFOAHCZBBYBK-UHFFFAOYSA-N 418.896 4.507 0 40 HJAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)N(Cc1ccccc1)Cc1ccccc1 225723921 NNJICAZTYIXWKJ-UHFFFAOYSA-N 416.908 4.884 0 40 HJAB O=C(O)/C=C/c1ccc(OCc2ccccc2Cl)c(I)c1 226333655 YMCLKRQCFFBGOO-SOFGYWHQSA-N 414.626 4.621 0 40 HJAB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 408658209 IGWFZJMANSNCRT-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB O=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)NC(=S)N1C1CCCCC1 409079075 KBBCLFMHXQZEOA-STZFKDTASA-N 410.514 4.795 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cccc3CC)n2C)cc1 409346211 NQKNQGCGBVVNRC-UHFFFAOYSA-N 424.570 4.558 0 40 HJAB Cc1ccccc1-c1cc(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)no1 585152235 DWQHWFDUTJWUCH-FQEVSTJZSA-N 402.454 4.827 0 40 HJAB CCN1CCCCCCN(C(=O)C2CC2)[C@@H](CC(C)C)COc2ccccc2C1=O 643582743 KPTZUPRRNUZUAP-NRFANRHFSA-N 414.590 4.755 0 40 HJAB COC(=O)C1[C@H](c2ccccc2)C(C(=O)OCc2ccccc2)[C@H]1c1ccccc1 897539 XGDIQUYLBYNUFA-WOLZVPSQSA-N 400.474 4.716 0 40 HJAB COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(Nc2cccc(Cl)c2C)C1=O 939174 KTZHKHXTDBGPLM-UHFFFAOYSA-N 411.672 4.746 0 40 HJAB CCOC(=O)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 1297577 TXOILYVQUARPNR-UHFFFAOYSA-N 401.557 4.897 0 40 HJAB CCOC(=O)c1ccc(NC(=O)N2CCC[C@H](c3nc4cc(C)c(C)cc4[nH]3)C2)cc1 1350254 PNGNIWYBJNWUJX-SFHVURJKSA-N 420.513 4.768 0 40 HJAB Cc1cc2c(ncn2C)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1C 1385954 LWRLQGBUKSBXGB-UHFFFAOYSA-N 418.733 4.951 0 40 HJAB CCN(CC)c1nc(Cl)nc(Nc2ccc3cc(-c4ccccc4)c(=O)oc3c2)n1 1578333 RWZSFMOHCSPTDM-UHFFFAOYSA-N 421.888 4.888 0 40 HJAB CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(F)cc3F)c(C)c2oc1=O 2093154 KMXVWTOXINASCW-UHFFFAOYSA-N 416.420 4.763 0 40 HJAB biogenic COc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(C)cc2)cc1 2693526 DNGLXVBAVNQROP-UHFFFAOYSA-N 417.486 4.616 0 40 HJAB CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccc2cccnc12 2858935 ROOIEVDSBTUQMY-UHFFFAOYSA-N 420.490 4.602 0 40 HJAB FC(F)Oc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2ncnn21 2918027 SZXKPFSKBAPSFR-HUUCEWRRSA-N 421.245 4.788 0 40 HJAB Cc1cccc(N2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)[C@H](c4ccccc4)N3C2=O)c1 4062734 PJRTZJSMXWTWDQ-UPVQGACJSA-N 407.473 4.959 0 40 HJAB biogenic Cc1ccc2cc(CN(C(=O)c3cccs3)C3CCCCC3)c3nnnn3c2c1 4879348 OCEUECXSCXFCNF-UHFFFAOYSA-N 405.527 4.623 0 40 HJAB CC1=C(C)C[C@@H](C(=O)Nc2ccc(NC(=O)NC3CCCCC3)cc2)[C@@H](C(=O)O)C1 4949772 TUDXFVSBNYXLLX-UXHICEINSA-N 413.518 4.527 0 40 HJAB Cc1cc(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c(C)n1C1CC1 5320095 PLGKSYAWYADEQG-UHFFFAOYSA-N 403.507 4.761 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2CC)cc1 5518073 JWFCZWSCMFZBAT-UHFFFAOYSA-N 416.934 4.748 0 40 HJAB CCCCCN(CCCCC)C(=O)NC(=S)N(CCc1ccccc1)C(C)=O 5524352 MAWAMRPCWXVCON-UHFFFAOYSA-N 405.608 4.755 0 40 HJAB Cc1cc(C)c(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)c(Cl)c1 6066075 ABZMJCJHBIPBOI-GQCTYLIASA-N 412.667 4.507 0 40 HJAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1 6154436 SQGMHTCDIYRQPI-UHFFFAOYSA-N 409.298 4.518 0 40 HJAB Cc1ccc(CSc2nnc([C@@H](NC(=O)c3ccc(C)cc3)C(C)C)n2C)cc1 6300181 YVHOOLNDNKPKMI-FQEVSTJZSA-N 408.571 4.851 0 40 HJAB CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCCOc1ccc(C)cc1 6605946 OMBVBHRRNHOMPV-UHFFFAOYSA-N 416.477 4.755 0 40 HJAB CCCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)c1ccc(OCC)cc1 6636144 FOJOTLVRRHSPTO-UHFFFAOYSA-N 421.522 4.673 0 40 HJAB COCCn1c(SCC(=O)c2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 6790048 FOAIRUKLYPLKCO-UHFFFAOYSA-N 415.946 4.837 0 40 HJAB Cc1ccccc1-c1noc(COC(=O)c2ccc(-n3cnc4ccccc43)cc2)n1 7225894 SXAVSYODCLTKMH-UHFFFAOYSA-N 410.433 4.741 0 40 HJAB COc1cc(CNCc2ccccc2)cc(Br)c1OCc1cccnc1 7274939 OBKKVSFHWGVNNJ-UHFFFAOYSA-N 413.315 4.722 0 40 HJAB COc1cccc(CNC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c1 7454242 DSQIEWDILUACTC-UHFFFAOYSA-N 417.505 4.918 0 40 HJAB CCCCc1nnc(N/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)s1 8473134 OAZKEGIRFJMKDF-XMHGGMMESA-N 418.522 4.829 0 40 HJAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O 8475502 YOEPSSUZJCWUJX-INIZCTEOSA-N 414.461 4.976 0 40 HJAB O=C(CSc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)Nc1ccc(F)cc1 8772321 KXQQPLYOOGTQER-UHFFFAOYSA-N 424.453 4.538 0 40 HJAB CC(C)[C@@H](NCC(=O)Nc1cccc2ccccc12)c1ccc2c(c1)OCCCO2 9051321 GWZJHCSVKHKTLY-RUZDIDTESA-N 404.510 4.927 0 40 HJAB CC(=O)c1cccc(S(=O)(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)c1 9254301 HHLDNHBWYVZFQO-HXUWFJFHSA-N 424.547 4.542 0 40 HJAB O=C(Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2)c1ccc(F)cc1 9584638 JVBYMGRSCHRNSK-UHFFFAOYSA-N 411.816 4.734 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-n2cccc2)c1 9707879 JOCPEKYIKJJLHP-UHFFFAOYSA-N 423.929 4.751 0 40 HJAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC(CCc4ccc(C)cc4)CC1)(C3)C2 10959310 FRTYYZVHIGSOFT-NSURQITHSA-N 422.613 4.641 0 40 HJAB O=C(CS[C@H]1CCc2ccccc2N=C1O)Nc1cccc(Br)c1 11865843 VBJFAVDMWNNZJE-INIZCTEOSA-N 405.317 4.724 0 40 HJAB COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)c3cccc(C)c3)n2)c1 12442094 DIAJFYAGOLIFFF-UHFFFAOYSA-N 404.495 4.874 0 40 HJAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)N[C@@H]1CCSc2ccc(Cl)cc21 12620530 PTHMANSYLBNBQN-GFCCVEGCSA-N 422.988 4.676 0 40 HJAB Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3ccc4c(c3)OCCCO4)c(C)c12 12906147 GEGWBBMNHBGLOE-UHFFFAOYSA-N 421.478 4.982 0 40 HJAB O=C(CCc1nc(-c2ccco2)no1)N(CCc1ccccc1)Cc1ccccc1 12987685 BMRJIEANWNYUQT-UHFFFAOYSA-N 401.466 4.534 0 40 HJAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1OC 15422618 RPJLGGJGVRBIJZ-UHFFFAOYSA-N 422.268 4.632 0 40 HJAB Cc1cc(C)cc(Nc2nc(NC[C@H]3CCCO3)nc3c2cnn3-c2ccccc2)c1 17010858 FRNBXZGZZARUNR-HXUWFJFHSA-N 414.513 4.767 0 40 HJAB COc1ccc(C)cc1CN1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 19133383 FFUFRNCBEZQEJL-AUSIDOKSSA-N 409.574 4.514 0 40 HJAB CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)Nc2c(C)ccc3nc(C)ccc23)nn1 19656063 YFTFKWYQOPUDRW-NRFANRHFSA-N 403.461 4.834 0 40 HJAB Cc1ccc2c(C)c(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCOCC3)oc2c1 19901899 WSXWQVYSQDZXNK-FQEVSTJZSA-N 412.917 4.506 0 40 HJAB COc1c(C(=O)Nc2ccc(C(=O)O)cc2C)cc2ccccc2c1Br 20139242 GWWYYPAGBNXRKR-UHFFFAOYSA-N 414.255 4.870 0 40 HJAB O=C(NC(=S)Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccc(Cl)c1 20412227 UHBHFAFTKPHBOI-UHFFFAOYSA-N 416.930 4.956 0 40 HJAB CCCn1nnnc1NCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 22111854 DVDUHHNNMDPJIQ-UHFFFAOYSA-N 422.316 4.590 0 40 HJAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CCC(=O)Nc1c(Cl)cccc1Cl 22199631 ZZVKQLUHRZBAJT-AWEZNQCLSA-N 418.328 4.596 0 40 HJAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2sc3ccccc3c2Cl)c1 23009411 OIUCWQIWNURMES-UHFFFAOYSA-N 413.930 4.896 0 40 HJAB Fc1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1Cl 25286965 CRRYIJOVWYWONT-UHFFFAOYSA-N 419.909 4.597 0 40 HJAB C[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)[C@H](c1ccccc1)N1CCOCC1 25329185 BIFGJZQFTVKJMP-AUUYWEPGSA-N 424.397 4.742 0 40 HJAB CCOC(=O)c1cc(C)n(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1C 25899927 VYBAMXLWKSCOHZ-QHCPKHFHSA-N 422.550 4.517 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 30852904 YKYQRRROEIZSLK-MZNJEOGPSA-N 420.534 4.853 0 40 HJAB 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]3CC[C@@]21C 31518961 GRQROVWZGGDYSW-OYXAOJMWSA-N 406.607 4.566 0 40 HJAB CN(Cc1ccc(Br)cc1)C(=O)Cc1csc(Cc2ccccc2)n1 32681078 TWXRJZNGUOFHSS-UHFFFAOYSA-N 415.356 4.698 0 40 HJAB O=C(COc1ccccc1-c1noc(-c2ccccc2Cl)n1)NCc1ccccc1 33325141 MMAYQWUFTJGDLT-UHFFFAOYSA-N 419.868 4.752 0 40 HJAB Cc1cc(NC(=O)Cc2csc(COc3ccccc3)n2)ccc1Br 33326312 RQLNGKSSYLZPTF-UHFFFAOYSA-N 417.328 4.974 0 40 HJAB COC(=O)c1cc(-c2cccs2)nc2c1c(=O)[nH]c(=S)n2-c1cccc(C)c1C 36617234 BFAKAKAOINBULY-UHFFFAOYSA-N 423.519 4.575 0 40 HJAB CC(C)(C)SCCNC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38852217 NZKDFNQQGZVQII-UHFFFAOYSA-N 403.419 4.853 0 40 HJAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 44852977 JGRIOVAOKKKOIR-OAQYLSRUSA-N 414.549 4.751 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCC(C)CC2)cc1 44855709 APEOVFFJERCWAE-HSZRJFAPSA-N 422.569 4.959 0 40 HJAB Cc1ccc(NC(=O)CSc2ccc(-c3nc(-c4ccccc4)no3)cn2)c(F)c1 49405490 DPXYWBZXYPUOHA-UHFFFAOYSA-N 420.469 4.977 0 40 HJAB Clc1cccc(CN2CCN(c3nc(-c4cccnc4)nc4ccccc34)CC2)c1 58170529 BGFGJIRVJAMMOW-UHFFFAOYSA-N 415.928 4.667 0 40 HJAB CCn1cc(Br)cc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 65489147 STYMAHSHPNPQST-UHFFFAOYSA-N 415.316 4.899 0 40 HJAB O=C(NCc1cccc(Cl)c1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 67261706 LWLXVUOUXHATTP-UHFFFAOYSA-N 424.291 4.566 0 40 HJAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1Cc1cn2ccsc2n1 70003727 AUFUQOVOBRTWJR-INIZCTEOSA-N 409.342 4.696 0 40 HJAB OCc1ccc(-c2cc(Br)c(Br)c(Br)c2)o1 70461231 ZVKHSVIYHRQNTH-UHFFFAOYSA-N 410.887 4.726 0 40 HJAB Cc1ccc(C[C@@H](C(=O)O)[C@H](C)C(=O)Nc2ccc(C)c(Br)c2)cc1 71405935 QGIOWNHMLJCGGK-WMLDXEAASA-N 404.304 4.584 0 40 HJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl 71844419 RZAMSLQVDCEDSR-XLIONFOSSA-N 419.352 4.908 0 40 HJAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCCc2cc(F)ccc21 72277047 MMZYRSJUFWBBSO-UHFFFAOYSA-N 419.378 4.632 0 40 HJAB COC1CCN(c2ccc(NC(=O)CCc3ccccc3Br)cc2)CC1 96122389 ANPYIRDLPLJWEQ-UHFFFAOYSA-N 417.347 4.636 0 40 HJAB CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3cc(OCc4ccccc4)ccc3O2)C1 96319625 IMYZRJHPPFIFMN-DEOSSOPVSA-N 409.482 4.610 0 40 HJAB Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3C(=O)O)c3ccccc3C2=O)c(C)c1 102603941 ZWBXAJAMCPOEOB-ZHZULCJRSA-N 412.445 4.642 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)N4C[C@H](C)O[C@@H](C)C4)cc3)sc2c1 108928854 LPMKVJILDYTVAH-YESZJQIVSA-N 409.555 4.708 0 40 HJAB Cc1cc(=O)c(C2=Nc3ccccc3S[C@H](c3ccc4c(c3)OCO4)C2)c(O)o1 138469049 SAEJKRNNXQSPSA-FQEVSTJZSA-N 407.447 4.740 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 223948561 WQPVNEZNPHQEBD-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)c1 224224738 IYYCXVZRURDBMN-DHIUTWEWSA-N 411.534 4.753 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccc(C)cc1 225443470 AQZZIFBVRQDIDQ-YADHBBJMSA-N 424.585 4.529 0 40 HJAB CC1CCN(c2cc(Cl)nc(NC(=S)NCc3ccccc3Cl)n2)CC1 225938762 GJOUMIVRCOTDOK-UHFFFAOYSA-N 410.374 4.506 0 40 HJAB S=C(Nc1nc(Oc2ccccc2)cc(N2CCCCCC2)n1)NC1CCCC1 226006536 HWASEUFOWIDDQX-UHFFFAOYSA-N 411.575 4.878 0 40 HJAB C[C@@H]1CCCC[C@H]1N1C(=O)[C@H](CC(=O)Nc2ccccc2F)n2c1nc1ccccc12 248120450 RKURYZYBBQHUCF-VMRPVKRXSA-N 420.488 4.671 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cc(Cl)cc(Cl)c1O 408626798 IKMFWUZSBOSPHQ-ZZXKWVIFSA-N 401.702 4.879 0 40 HJAB Cc1ccnc(Nc2cc([C@H]3CCCN(Cc4ccc(F)c(F)c4)C3)nc(C)n2)c1 585169386 HOKDXDXBHZQWFB-SFHVURJKSA-N 409.484 4.890 0 40 HJAB O=C(Nc1ccc(-n2ccc(O)n2)cc1)Nc1cccc(OCc2ccccc2)c1 1673493984 HPLKXDJAKMJLOH-UHFFFAOYSA-N 400.438 4.801 0 40 HJAB O=C(Nc1ccc(Br)cc1)c1cc2nc(C(F)F)cc(C(F)F)n2n1 655746 LQRYVBLUKQUVQH-UHFFFAOYSA-N 417.160 4.619 0 40 HJAB CCC1=NN(C(=O)c2ccccc2Cl)[C@](O)(c2ccc(Br)cc2)C1 840554 XDJYDNIKGWYEIJ-GOSISDBHSA-N 407.695 4.560 0 40 HJAB COc1ccc(OC)c(C(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n23)c1 902981 YHEVRFLMNKOADJ-UHFFFAOYSA-N 421.522 4.800 0 40 HJAB O=C(Nc1ccc(Cl)cc1)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 1396425 AFOVGBRCMXPKHJ-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB CCOc1ccc(Cc2c3cc(OCC)c(OCC)cc3cc[n+]2C)cc1OCC 1666103 QTTWGWGCEKFKNN-UHFFFAOYSA-N 410.534 4.850 0 40 HJAB C[C@@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)N1CCc1c2[nH]c2ccccc12 2108779 HZZNQAZNIWVYAP-HXUWFJFHSA-N 400.265 4.715 0 40 HJAB biogenic O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1ccccc1F 3313947 CPNBROKNMONWAW-UHFFFAOYSA-N 400.409 4.836 0 40 HJAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 4090517 FXCLZJCYMBPDFM-UHFFFAOYSA-N 421.522 4.956 0 40 HJAB CN(C)CCCN(C(=O)CCc1ccccc1)c1nc2ccc(Cl)cc2s1 4359653 KCFPBOJFZSCOAD-UHFFFAOYSA-N 401.963 4.867 0 40 HJAB COc1ccc(-c2cc(C(F)(F)F)nc(N(C)Cc3ccccc3)n2)cc1OC 4757769 HSSQXIAUGBEIBS-UHFFFAOYSA-N 403.404 4.816 0 40 HJAB O=C(O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2ccc(F)cc2)cc1 4928672 JLYMUDGOIIEHMR-QFIPXVFZSA-N 413.408 4.664 0 40 HJAB CCN(CC)CCSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 5478723 DTNJKCOOYBPVST-UHFFFAOYSA-N 405.571 4.656 0 40 HJAB COc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCCO4)=NN21 5603184 DJWBECKUPRJVFP-CPJSRVTESA-N 414.461 4.709 0 40 HJAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)C2=O 6788838 DVNFPTIATGIOIJ-UHFFFAOYSA-N 419.953 4.504 0 40 HJAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(c2cccc(Cl)c2)CC1 7132741 JLLXDASTWDOIFQ-UHFFFAOYSA-N 416.912 4.641 0 40 HJAB COc1ccc(C(C)=O)cc1CSc1nnc(N2CCCC2)n1-c1ccc(C)cc1 7256638 PHKOTSQBWIGGBH-UHFFFAOYSA-N 422.554 4.679 0 40 HJAB Cc1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c1 7616050 PTBFJIFCPAXKTG-UHFFFAOYSA-N 403.869 4.664 0 40 HJAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(Br)c2)o1 7997224 WZZICCBBLWDRHA-JTQLQIEISA-N 414.325 4.710 0 40 HJAB C[C@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)cc2C1 8303350 SGXRBFMUUDNATB-LBPRGKRZSA-N 410.461 4.602 0 40 HJAB Cc1c(OCc2nnc(SCC(=O)Nc3ccccc3)n2C)ccc2ccccc12 8333018 DIAJUBDPRUJKRX-UHFFFAOYSA-N 418.522 4.587 0 40 HJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(I)cc1C 8493222 IOUKLCJVMPVSKF-KRWDZBQOSA-N 409.267 4.704 0 40 HJAB Cc1nc(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c(C(N)=O)c(C)c1C 8704001 LWNRZBKTOSPQJP-FQEVSTJZSA-N 423.513 4.717 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c1 8840670 KZUXAUAIAVWSRE-UHFFFAOYSA-N 420.534 4.584 0 40 HJAB CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)NC1=S 9295878 FYOKBTRTYKBTNM-IUXPMGMMSA-N 416.333 4.684 0 40 HJAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(F)cc3F)c3ccccc3n2)o1 9632766 RZHABPUVRBISDE-UHFFFAOYSA-N 422.387 4.877 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccn(Cc2cccc(F)c2)c1=O 10187748 NCUXKPSJQOLKSM-UHFFFAOYSA-N 424.781 4.960 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)c1C 10276863 WQEYANHTYAACLJ-PBHICJAKSA-N 424.526 4.547 0 40 HJAB CSCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 11918129 RIHANVKMPCUYTB-UHFFFAOYSA-N 409.511 4.580 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1Cl 12760095 VSVAXQKDWWXXJZ-UHFFFAOYSA-N 411.893 4.754 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2ccccc2Br)c1 12761055 NWMOUFQMFCSHER-VSRDTVRMSA-N 416.315 4.843 0 40 HJAB C[C@H]1CC(=O)c2c(OCC(=O)N[C@@H](C)c3ccc(Br)cc3)ccc(F)c21 14369383 CKDWRKZVPVJEHW-RYUDHWBXSA-N 420.278 4.534 0 40 HJAB CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1cccc(Cl)c1Cl 16248373 HZCUWOBCYJJOKG-UHFFFAOYSA-N 423.321 4.551 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2nn(CC(C)C)c3nc4cc(C)ccc4cc23)c1 17250529 WHEGNRACXUWHFU-UHFFFAOYSA-N 418.497 4.818 0 40 HJAB Cc1ccc([C@@H](NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2cccnc2)cc1 19136612 RYMWMEKOMPXYQQ-HSZRJFAPSA-N 420.940 4.997 0 40 HJAB O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(F)c3)CC[C@@H]21 19293883 MAIMAKIQOATCKX-VABKMULXSA-N 412.574 4.894 0 40 HJAB COc1ccc(Cc2nnc(SCc3cc(Cl)c4c(c3)OCCCO4)o2)cc1 19298114 CZLXEXWTZCXJSA-UHFFFAOYSA-N 418.902 4.776 0 40 HJAB Cc1noc2nc(C3CCN(C(=O)CCc4ccccc4)CC3)cc(C(F)(F)F)c12 19564693 JZAJMTDLGDITNY-UHFFFAOYSA-N 417.431 4.889 0 40 HJAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2ccccc2)C1 19591200 QCXXRYHEBKKIMY-RUZDIDTESA-N 418.562 4.626 0 40 HJAB Cc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc(C(=O)O)c1O 20139831 LIMDWMDQZVHIJN-UHFFFAOYSA-N 416.227 4.674 0 40 HJAB COc1cc(NC(=O)c2ccccc2F)c(-c2nc(-c3ccccc3)no2)cc1OC 20744934 FJHWVOUZYXZOST-UHFFFAOYSA-N 419.412 4.812 0 40 HJAB CCn1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)c(=O)c2cc(C)ccc21 22234763 PETRVMCDHPKSKW-AWEZNQCLSA-N 413.315 4.583 0 40 HJAB COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 23140455 WHFCHGNBKHJILE-GFCCVEGCSA-N 418.906 4.872 0 40 HJAB O=C(c1ccccc1Nc1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1 24141823 ZMLOCAPYJPFSDD-UHFFFAOYSA-N 405.542 4.685 0 40 HJAB CCc1ccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Br)cc1 28230463 FJOYJTAUDOTCHM-UHFFFAOYSA-N 402.267 4.648 0 40 HJAB COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cc(C)cc(C)c2)c1 28534686 SJRXHNCYTFNCNN-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1Cn1cccn1 28692096 CVCAEVKMDSIJOA-UHFFFAOYSA-N 424.863 4.617 0 40 HJAB O=S(=O)(CCSc1nc2ccccc2n1C(F)F)c1ccc(Cl)cc1 29904599 PIUVHGVSFCFSGQ-UHFFFAOYSA-N 402.875 4.651 0 40 HJAB CC(C)CCn1c(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)nc2ccccc21 32775993 NXAIVCSRUUFDSS-INIZCTEOSA-N 422.554 4.548 0 40 HJAB Cc1cc(NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)ccc1N1CCCC1=O 32883710 QUVCUDRDUNVROE-UHFFFAOYSA-N 413.543 4.729 0 40 HJAB Cc1ccc2nc(CSc3ccccc3NC(=O)c3ccccc3F)cc(=O)n2c1 33025911 LDJQZIMXUPIOOG-UHFFFAOYSA-N 419.481 4.687 0 40 HJAB COc1ccc(Cl)cc1Nc1nc(CS(=O)(=O)c2ccc(C)cc2)cs1 35623055 MRDFHNRHSMWGAD-UHFFFAOYSA-N 408.932 4.831 0 40 HJAB Cc1ccc(-n2nc(-c3cnn(C)c3C)c(Cl)c2-c2cnn(C)c2C)cc1Cl 36611624 AZHSTXXFODEBAT-UHFFFAOYSA-N 415.328 4.905 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(Cl)cc2)cc1 38652862 KERFTWDRVWFNGP-UHFFFAOYSA-N 420.943 4.787 0 40 HJAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)OCC(=O)c2ccc(Cl)cc2)cc1 40059669 RPYWIRYBAQCSEW-UHFFFAOYSA-N 403.862 4.656 0 40 HJAB CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1cccc(CN2CCCC2=O)c1 40104945 JHOGUTOKHGCZTB-UHFFFAOYSA-N 406.313 4.780 0 40 HJAB CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(COc3ccc(F)cc3)o2)CC1 72273648 TZKDLHNMCDDVTQ-UHFFFAOYSA-N 422.500 4.734 0 40 HJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 72329004 QPSIXHKOZABSDV-MRXNPFEDSA-N 423.513 4.764 0 40 HJAB Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)[C@H]3C[C@@H]3C)CC2)c1 72345318 ZLPASPXBQHSSKQ-RDPSFJRHSA-N 418.581 4.558 0 40 HJAB Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n1 72354119 IGJQPRJLKCKETA-FQEVSTJZSA-N 423.557 4.834 0 40 HJAB O=C(NCCc1nc2c(c(C(F)(F)F)n1)CCCC2)C1(c2cccs2)CCCC1 77101221 FAGXBWDTSQXPRQ-UHFFFAOYSA-N 423.504 4.606 0 40 HJAB Cc1c(C(=O)Oc2ccc(-c3ccccc3)cc2Cl)sc2ncn(C)c(=O)c12 84067677 DXFWHXJDLMJXAQ-UHFFFAOYSA-N 410.882 4.843 0 40 HJAB Cc1nc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)sc1C 95349016 VVASRCBTESXEQS-UHFFFAOYSA-N 400.504 4.919 0 40 HJAB COc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1 95474401 CFLZRJPULJQTAV-IBGZPJMESA-N 401.532 4.895 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)CCCO3)C1=O)c1ccc(Cl)cc1 98086331 VLMJNWCFPVFTMH-YBFXNURJSA-N 413.882 4.584 0 40 HJAB CCN(C(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)c1cccc(C)c1 98211324 WUDBRHARBJITNU-UHFFFAOYSA-N 404.445 4.706 0 40 HJAB CC(=O)c1ccccc1N/C=C1/C(=O)N(c2ccc(Cl)cn2)C(=O)c2ccccc21 103004194 OPKAJERJHXCJRF-CPNJWEJPSA-N 417.852 4.578 0 40 HJAB CCCCc1ccc(NC(=O)[C@@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220509973 ROGXVDXVSMSYKB-OAQYLSRUSA-N 402.560 4.521 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 222456462 DLYPVNXYWXGCIS-NRFANRHFSA-N 400.950 4.523 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 222623734 WEEXQZLIKPUSHI-AVRDEDQJSA-N 414.977 4.647 0 40 HJAB COc1cc(C)c(S(=O)(=O)NCCOc2cccc3ccccc23)cc1C(C)C 223575701 UYDLVZYWECMMLS-UHFFFAOYSA-N 413.539 4.638 0 40 HJAB CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1 224008888 NJPYJVNHCLDGJB-SFTDATJTSA-N 420.538 4.544 0 40 HJAB CCCC[C@@H](CC)CNC(=O)CCCN(c1c(C)cccc1C(C)C)S(C)(=O)=O 224857536 NUCWSVLTPPBYSX-HXUWFJFHSA-N 424.651 4.997 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(C)c1 225167834 ZJZKREKLFBAQIY-SFHVURJKSA-N 400.950 4.525 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 225252834 QGNOBRKZRLZRRN-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB CCOC(=O)c1ccc(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)cc1Cl 225704809 CUNOTEYDHOONFZ-LJQANCHMSA-N 418.946 4.889 0 40 HJAB CN1CCC(NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)CC1 225800236 ZBGFPKOENIWDTE-UHFFFAOYSA-N 409.599 4.596 0 40 HJAB CC(C)Oc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 253377990 YWGJVPADTOAUIY-UHFFFAOYSA-N 410.495 4.527 0 40 HJAB CN[C@@H](C)[C@@H]1[C@@H](O)C[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@]4(C)[C@@H]3CC[C@]12C 253589696 LNZWKBNRYPYFPA-MDIVKLRESA-N 404.683 4.838 0 40 HJAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2n[nH]c3ccccc23)o1 257274459 NLDHXCNHPUOHPK-FQEVSTJZSA-N 416.481 4.518 0 40 HJAB C[C@@]1(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccccc4)o3)c2)C[C@H]2C=C[C@H]1C2 408710476 OGRLXURXYSHSNU-VRXSFPRUSA-N 414.465 4.530 0 40 HJAB O=C(Nc1ccccc1O)C1CCN(C(=O)CCCc2ccc3ccccc3c2)CC1 537207590 YWKBJEKTWGYFGL-UHFFFAOYSA-N 416.521 4.745 0 40 HJAB O=C(c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCC[C@H]2C[C@H]21 672124446 CARNRWRBPKKZOB-MAUKXSAKSA-N 412.415 4.578 0 40 HJAB COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cnn(-c2cc(C)ccc2C)c1C 1139249055 ASROQCTVOLHDIG-JOCHJYFZSA-N 411.933 4.911 0 40 HJAB Cc1cccc(-c2cccc(CNC(=O)N[C@@H]3COc4c(F)cc(F)cc4C3)c2)c1 1678070266 HHHUDHJFPSZUDZ-NRFANRHFSA-N 408.448 4.743 0 40 HJAB CC(C)c1ccc(OCc2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)o2)cc1 876006 WAQCBRKEWHDOIU-HZPDHXFCSA-N 403.548 4.654 0 40 HJAB O=C(c1cccc(Cl)c1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc(Cl)cc1 1022935 AJYREMZOBNOKSW-MRXNPFEDSA-N 403.187 4.603 0 40 HJAB COc1ccccc1NC(=O)CSc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cn1 1329643 LWJIHOBNVBCPAN-UHFFFAOYSA-N 418.522 4.981 0 40 HJAB CC(C)C[C@@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 2314045 YLGFOXZTYKUFIC-JOCHJYFZSA-N 406.526 4.747 0 40 HJAB O[C@@H](COCc1ccc(Cl)cc1)CN1CCC(c2nc3ccccc3s2)CC1 2631323 OGQXXGKGMZOPBQ-LJQANCHMSA-N 416.974 4.707 0 40 HJAB O=C(OCC(F)(F)C(F)F)c1ccc(COc2ccccc2Br)o1 2750531 KSPXHWZTGCBYQR-UHFFFAOYSA-N 411.145 4.678 0 40 HJAB COc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 3459675 RQWYLYFRIGLKDF-UHFFFAOYSA-N 408.420 4.722 0 40 HJAB COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccc(C)o3)c3c([nH]c4ccccc34)[C@@H]21 4088913 ASWRFPZKDMGSKF-QMHKHESXSA-N 414.461 4.777 0 40 HJAB biogenic O=C(Nc1ccc(F)cc1F)c1cc2n(n1)[C@@H](C(F)(F)F)[C@@H]1CCCC[C@@H]1N2 4178847 XRRSYUJZJFMCFN-RSAASHCRSA-N 400.351 4.501 0 40 HJAB O=C(Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2)c1cccc(Cl)c1 4723330 HNAQNIJHILADGF-UHFFFAOYSA-N 411.816 4.734 0 40 HJAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4Cl)cc3n2)cc1 4723352 QAVFHJJQVBYXCW-UHFFFAOYSA-N 406.873 4.952 0 40 HJAB C[C@]1(C(=O)Nc2cc(Cl)ccc2Cl)CC1(Br)Br 4740692 HIXCTRLMZHESCM-SNVBAGLBSA-N 401.913 4.828 0 40 HJAB CC(C)[C@@H](OC(=O)c1cc2sccc2n1C(C)C)C(=O)NCCc1ccccc1 4967119 KTEDKNBMTJCPKE-OAQYLSRUSA-N 412.555 4.824 0 40 HJAB C[C@@H]1CCCCN1C(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 5017861 SBLGFTRUKOSZJQ-CYBMUJFWSA-N 421.488 4.754 0 40 HJAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1ccc(C)cc1 5043226 KVSMBNVRPLHWLA-KXBFYZLASA-N 403.276 4.536 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccc(OC)c1 5501122 DYSYGIKPXNNYDF-UHFFFAOYSA-N 416.934 4.666 0 40 HJAB O=C(OCc1ccccc1Oc1ccccc1)c1ccc(CN2CCCC2=O)cc1 6114427 SYUHWRCGQYOUAJ-UHFFFAOYSA-N 401.462 4.958 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3C)n2CC)cc1 6225308 BSISVPRJAXCOGH-UHFFFAOYSA-N 424.570 4.787 0 40 HJAB CC(C)Cn1nc(C(=O)Nc2ccc(SC(F)F)cc2)c2ccccc2c1=O 7061274 UIHGWDFYZIAAOK-UHFFFAOYSA-N 403.454 4.620 0 40 HJAB CC1=C(C(=O)N(C)C)[C@H](c2ccccc2C(F)(F)F)NC(=S)N1c1ccccc1 7621828 RLUDASXXFWABCT-SFHVURJKSA-N 419.472 4.503 0 40 HJAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2cccnc2)cc1C 7778737 AWYHMIUWSMFOIT-UHFFFAOYSA-N 415.522 4.742 0 40 HJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)c3ccccc3n2)o1 8127719 OSDPSCWJVMGNRY-UHFFFAOYSA-N 413.477 4.892 0 40 HJAB CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1cc2ccccc2o1 8784723 HAKHAQSOEPQLBO-UHFFFAOYSA-N 413.528 4.515 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1C 8961227 CUKHDDLFMCJYKY-UHFFFAOYSA-N 424.478 4.553 0 40 HJAB COc1cc(-c2nc3ccccc3s2)ccc1OS(=O)(=O)c1ccc(F)cc1 9235120 BJJDBRFLBXZHAF-UHFFFAOYSA-N 415.467 4.879 0 40 HJAB Cc1cc(C)c2oc(C(=O)Nc3nonc3-c3ccc4c(c3)CCCC4)cc(=O)c2c1 9419595 GBSKVUVAJOEVAW-UHFFFAOYSA-N 415.449 4.591 0 40 HJAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)N(C)C)cc1 9614574 VRIQPWZFOYSTIL-SANMLTNESA-N 423.516 4.777 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2C)cc1 10112481 QJOUDNHMWQTPFK-GOSISDBHSA-N 420.534 4.696 0 40 HJAB COc1ccc(Cl)cc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 10327627 ASKSYBIWHLNLFG-UHFFFAOYSA-N 422.912 4.626 0 40 HJAB Cc1cc(-c2cncnc2-c2ccc(CNC(=O)c3cc(C)c(C)s3)cc2)on1 12158954 KMUIJYPAXSYVMP-UHFFFAOYSA-N 404.495 4.715 0 40 HJAB CC(=O)c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccc(C)s2)cc1 12771055 RPHRPNDXSYLEAQ-UHFFFAOYSA-N 413.564 4.693 0 40 HJAB COc1ccc(C(=O)N2CCC(C(=O)Nc3cc(F)ccc3C)CC2)c2ccccc12 12939694 RARHBENYMLXHDX-UHFFFAOYSA-N 420.484 4.787 0 40 HJAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)o1 13586087 QBWSMIZTIXOESZ-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB CC[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N(c1ccccc1)S(C)(=O)=O 13711661 WSAPRHWNXQNRNX-OAQYLSRUSA-N 424.522 4.662 0 40 HJAB Cc1cc(O)ccc1NC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1 13721081 LCBQHYQKTAJJJO-UHFFFAOYSA-N 415.445 4.800 0 40 HJAB Cc1cc(NC(=O)Cc2csc(COc3ccc(F)cc3)n2)n(-c2ccccc2)n1 14231533 OKAZQGMQAGPBFA-UHFFFAOYSA-N 422.485 4.537 0 40 HJAB Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c(C)c1 14426543 SNGCBYIIWKANDS-IRXDYDNUSA-N 414.571 4.531 0 40 HJAB CCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(C(C)(C)C)cc2)on1 15673720 ZQSLEUYNAKQZIN-PMACEKPBSA-N 411.590 4.666 0 40 HJAB biogenic,in-vitro Cc1ccc(OCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 15833665 AGJUYLWHELYUIT-GOSISDBHSA-N 403.482 4.898 0 40 HJAB O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1cc(-c2cccs2)on1 15859978 SUTZXXXRNIGTJO-MRXNPFEDSA-N 401.557 4.812 0 40 HJAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 16428024 MNJJMOWNOOCDRA-ILWKUFEGSA-N 414.288 4.884 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1Cl 17092440 QDMBEVQXICXXAN-UHFFFAOYSA-N 420.852 4.792 0 40 HJAB CCCNC(=O)c1cc([C@H]2CCCN(CC(c3ccccc3)c3ccccc3)C2)no1 19503656 SJWYBEKPOTVQCV-QFIPXVFZSA-N 417.553 4.826 0 40 HJAB CC(C)n1c([C@H](C)NC(=O)C2(c3cccc(F)c3)CCOCC2)nc2ccccc21 19662170 DAYKRDVHETVQGC-KRWDZBQOSA-N 409.505 4.682 0 40 HJAB COC(C)(C)C(=O)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 19690404 OOMWAFHPSSQOBD-UHFFFAOYSA-N 420.475 4.822 0 40 HJAB Cc1ncc(C(=O)Nc2ccccc2)c([C@@H]2CCCCN2Cc2ccc(F)cc2)n1 19766930 IDMJRWWWDUTZIM-QFIPXVFZSA-N 404.489 4.904 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 20610594 CEJDBNBHWWNXQG-UHFFFAOYSA-N 406.511 4.653 0 40 HJAB O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(-c2nc3ccccc3o2)cc1 21531154 CFTFDRHQHLWPGF-UHFFFAOYSA-N 415.474 4.572 0 40 HJAB CCOc1ccccc1NCC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 22728207 KWJOFVMULAXNST-UHFFFAOYSA-N 403.482 4.697 0 40 HJAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCC[C@@H]1c1cccs1 24631446 GKSCOXIEUCLJKD-GOSISDBHSA-N 424.595 4.721 0 40 HJAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cccc(-c4ccno4)c3)c12 36616214 LLALKCLRFCAZAX-UHFFFAOYSA-N 415.478 4.913 0 40 HJAB Cc1cc(I)ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 38752577 FKVGSLMQHCTISL-LLVKDONJSA-N 415.658 4.659 0 40 HJAB O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)C1CCN(C(=O)c2cccs2)CC1 40117417 QPLCPNLNYYADQM-OAQYLSRUSA-N 414.546 4.787 0 40 HJAB CC(=O)Nc1cccc(OC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c1 40160302 WUJVYLOPILKTPP-UHFFFAOYSA-N 413.429 4.946 0 40 HJAB O=C(c1cc(Nc2ccc(F)c(Cl)c2)c2ccccc2n1)N1CCSCC1 44169713 CQBAIFOSXHYRDG-UHFFFAOYSA-N 401.894 4.960 0 40 HJAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)C1 45887576 WRDCSHAZOVJKPZ-CQSZACIVSA-N 412.873 4.681 0 40 HJAB COc1cccc(CNc2ncc(-c3ccc(Cl)cc3)c(-c3nccn3C)n2)c1 57775069 URDIMWRFIKZAAZ-UHFFFAOYSA-N 405.889 4.818 0 40 HJAB CC(C)(C)[C@@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)c1cccs1 59280274 KUAQFQTWOWFNEG-SFHVURJKSA-N 424.360 4.728 0 40 HJAB Cn1ccc2ccc(C(=O)N3CCc4[nH]c5ccc(OC(F)(F)F)cc5c4C3)cc21 71286135 QBCXJNRUVBTTNI-UHFFFAOYSA-N 413.399 4.757 0 40 HJAB CCn1cnnc1C1CCN(C(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CC1 72097606 VTRXJSQGHGQAAL-KRWDZBQOSA-N 400.592 4.530 0 40 HJAB COc1ccccc1CN1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 72369963 RXESIRYGLDESHX-INIZCTEOSA-N 403.404 4.754 0 40 HJAB CCCc1nc(C)c(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)s1 79094193 ZNPWJCVPBUAEDE-SFHVURJKSA-N 400.569 4.842 0 40 HJAB CSc1ccc([C@H]2C=C(c3ccc(Br)s3)Nc3ncnn32)cc1 101353418 ZJZCFTPVKYLFMG-CYBMUJFWSA-N 405.346 4.880 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 222503901 JMKZHISTINANOE-OAQYLSRUSA-N 400.950 4.523 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C)cc1 223058514 JZSISVGVDNMWMR-RBUKOAKNSA-N 414.977 4.913 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 223351451 CQNXXTWPVOHETB-NRFANRHFSA-N 414.977 4.913 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 223612952 OXKDHJNYJLLRPM-QHCPKHFHSA-N 424.585 4.658 0 40 HJAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 223982546 TWEOTEFTOPBFRH-VXKWHMMOSA-N 419.554 4.600 0 40 HJAB Cc1cnc(NC(=S)NCC2(c3ccc(Cl)cc3)CCOCC2)c(Cl)c1 224015835 QNHXBRVJUMKDAC-UHFFFAOYSA-N 410.370 4.732 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CSCc1ccccc1C 225700001 AVNIKRUPRRNMGK-JOCHJYFZSA-N 412.599 4.560 0 40 HJAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3cccc(C(F)(F)F)c3)OC2)cn1 225920729 MMLDAUJHDRBFRE-UHFFFAOYSA-N 424.419 4.578 0 40 HJAB Cc1cc(C)cc(C2(C(=O)N3C[C@H]4[C@@H](Oc5ccccc5)CC[C@H]4C3)CCOCC2)c1 257202468 ALYMWLUDWMWWJD-GPUOULLFSA-N 419.565 4.668 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2Cl)cc1C 408665099 UCLAHADMJFUODZ-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CCOc1cc(OCC)c(/C=C2/SC(=O)N(C(C)C)C2=O)cc1Br 409019280 QIPCCPXHZFXJBY-OVCLIPMQSA-N 414.321 4.691 0 40 HJAB O=C(Nc1ccccc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 409382898 XHOPDJSIYZESMJ-OAQYLSRUSA-N 412.898 4.960 0 40 HJAB CC1=C2C[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@H]2C[C@H]2O[C@@H]3C[C@@H](C)CN[C@@H]3[C@H](C)[C@H]12 584578775 AROKXPQLAKZWRT-QBQQZAPNSA-N 411.630 4.858 0 40 HJAB COc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1Br 1117184846 LOWITYNDXNKRRT-UHFFFAOYSA-N 410.065 4.937 0 40 HJAB O=C(N[C@H](Nc1ccc(Br)cc1)C(=O)c1ccccc1)c1cccs1 631734 XBAIFYWOFPYBPX-SFHVURJKSA-N 415.312 4.562 0 40 HJAB Cc1nn(-c2ccccc2)c2c1[C@]1(C)C[C@](C)(O2)c2c(C)nn(-c3ccccc3)c2O1 858236 BSONLUOANXJZKZ-DQEYMECFSA-N 412.493 4.980 0 40 HJAB COc1cc2cc(C)c(SCC(=O)N3c4ccccc4C[C@@H]3C)nc2cc1OC 928281 WBKDUUAEQMYALX-HNNXBMFYSA-N 408.523 4.630 0 40 HJAB Cc1cccc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1 944020 DJVHXSQPXHJXDT-UHFFFAOYSA-N 403.301 4.899 0 40 HJAB Cc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)c1 1057898 CKKROKMITKMMMI-HSZRJFAPSA-N 413.477 4.815 0 40 HJAB biogenic,in-vitro Cc1c(C(=O)OC(C)C)sc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1C(=O)OC(C)C 2736939 XEGVHWKWMUAASM-RRFJBIMHSA-N 407.532 4.562 0 40 HJAB CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc(C)c1-c1ccc(CC(C)C)cc1 2758924 KMDCATFIOSAYIU-ZHACJKMWSA-N 415.511 4.678 0 40 HJAB CC(C)N(Cc1ccccc1)C(=O)COc1ncnc2c(Cl)cc(Cl)cc12 3296873 PLUFAYCBSPBSKT-UHFFFAOYSA-N 404.297 4.753 0 40 HJAB COc1cc(/C=C/C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1OC(F)F 3297362 QNPSPPUXZSNJQQ-WUXMJOGZSA-N 402.441 4.939 0 40 HJAB Cc1cc(I)cn2cc(-c3cccc(C(F)(F)F)c3)nc12 4003121 MCWMTPMTNZVJLF-UHFFFAOYSA-N 402.157 4.933 0 40 HJAB Cc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1 4971956 WUVYNYVQZCXYTD-UHFFFAOYSA-N 402.841 4.793 0 40 HJAB CN(C)CCCn1cnc2c(c1=N)[C@@H](c1ccccc1)c1ccc3ccccc3c1O2 5348407 XKIJFVOBHVZJJC-QFIPXVFZSA-N 410.521 4.753 0 40 HJAB Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)N(Cc1ccccc1)C(C)C 5519880 GDDMIUNYHKIZMX-UHFFFAOYSA-N 408.523 4.713 0 40 HJAB COc1ccc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1 5698705 DGFDSKGMARKAQL-RCCKNPSSSA-N 413.429 4.567 0 40 HJAB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 6348248 UCMRYFWYKUHAKS-XKZIYDEJSA-N 403.478 4.890 0 40 HJAB O=C(C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccccc1)NC1CCCCCCC1 6586287 JTRVOHDTOFLPDF-QFIPXVFZSA-N 406.526 4.743 0 40 HJAB COc1ccccc1N1CC(=O)N(c2ccc(Cl)cc2)[C@H](c2ccsc2)C1=O 6662497 PZHOSLDDHIEBFL-HXUWFJFHSA-N 412.898 4.531 0 40 HJAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(-c2cccc(F)c2)o1 6672105 LDAALXKRWWXRGL-UHFFFAOYSA-N 400.837 4.828 0 40 HJAB COc1cccc(CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c1 7961236 CTAFTABKTCPPRU-UHFFFAOYSA-N 409.486 4.532 0 40 HJAB CCN1CCN(c2ccccc2NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)CC1 7987523 ODUZCKSXNSXCIJ-IBGZPJMESA-N 417.553 4.733 0 40 HJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2nc3ccccc3s2)o1 8162920 RPGMCQWFSQUAKB-UHFFFAOYSA-N 405.479 4.645 0 40 HJAB Cn1c(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)nc2ccccc21 8425305 LGGHPUQZNFPSAJ-GOSISDBHSA-N 413.930 4.540 0 40 HJAB Cc1cccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2cccc(Cl)c2)c1 8476891 KBQGLCBYNXOAKS-UHFFFAOYSA-N 402.885 4.826 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c(C)n1CCc1cccs1 9171580 UPQXKMZXGSNAAK-UHFFFAOYSA-N 424.551 4.829 0 40 HJAB COc1ccccc1Cc1nnc(NC(=O)CCSc2ccc(Cl)cc2)s1 9426517 WSWCTAXFFIKJID-UHFFFAOYSA-N 419.959 4.912 0 40 HJAB CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2c[nH]nc2-c2cccnc2)cc1 10950368 FLEKRLVIRMOSHE-QHCPKHFHSA-N 411.465 4.642 0 40 HJAB O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CC=C(c2c[nH]c3ccccc23)CC1 11075009 VMCNGKSUJWXWNX-UHFFFAOYSA-N 419.912 4.878 0 40 HJAB CCC(=O)N(c1nnc(SCC(=O)c2c(C)c(C)cc(C)c2C)s1)C1CC1 12781734 YLDNFXBLXZUVEW-UHFFFAOYSA-N 403.573 4.652 0 40 HJAB COc1ccc(OC)c(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1 12868503 URTRANDJPTVSRE-UHFFFAOYSA-N 418.902 4.953 0 40 HJAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)cc1 13871374 ANTDLULNJXRBKW-KRWDZBQOSA-N 424.570 4.865 0 40 HJAB Cc1ccc(N2C[C@H](c3nnc(NC(=O)CCC4CCCCC4)s3)CC2=O)cc1 13944487 XOSCHTFNXSDGOB-QGZVFWFLSA-N 412.559 4.666 0 40 HJAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 14153370 MWGTVTJJZVFBCC-CXUHLZMHSA-N 406.507 4.756 0 40 HJAB Cc1cccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c1C 15391048 RPWBFPDHMXEMAT-GOSISDBHSA-N 420.962 4.529 0 40 HJAB CCOC(=O)Cc1csc(Sc2nc(C)nc3sc4c(c23)CCCC4)n1 18055926 BRCJRSGYMFEOMW-UHFFFAOYSA-N 405.570 4.592 0 40 HJAB CC(C)n1c([C@@H]2CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)nc2ccccc21 19716740 IWMBAWYMDHDECQ-MRXNPFEDSA-N 421.932 4.938 0 40 HJAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cc(-c2cccs2)on1 21524207 WVPUSGQAPISFHI-UHFFFAOYSA-N 418.500 4.938 0 40 HJAB CCn1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(=O)c2cc(OC)ccc21 22235992 BPBPSWYEVDMJBH-UHFFFAOYSA-N 424.806 4.955 0 40 HJAB CCOc1ccc(CN(C)C(=O)c2cccnc2SCc2c(C)noc2C)cc1 27747043 GLVRYJDFIMYCGJ-UHFFFAOYSA-N 411.527 4.650 0 40 HJAB COc1ccc(Cl)cc1S(=O)(=O)n1c(Cc2ccccc2)nc2ccccc21 27823320 GJQUEAPHTNVNGA-UHFFFAOYSA-N 412.898 4.526 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1Br 28940109 YQLIKGJTYHADPB-UHFFFAOYSA-N 411.104 4.565 0 40 HJAB CC(C)c1ccc2c(c1)[C@@]1(CC(O)=Nc3c1cnn3Cc1ccccc1Cl)C(=O)N2 32100641 JJBBLEPOXFACIW-HSZRJFAPSA-N 420.900 4.938 0 40 HJAB COc1cccc(CN(C)C(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)c1 32727658 KGXQZGNPEKDAQY-UHFFFAOYSA-N 405.523 4.985 0 40 HJAB O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccc(NC(=O)c2ccco2)cc1 32906530 HQXBBQUDXRZMMJ-UHFFFAOYSA-N 422.334 4.864 0 40 HJAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1C(=O)c1ccc2ccccc2n1 33133155 XQCMKGMMJOXUMS-LJQANCHMSA-N 414.292 4.785 0 40 HJAB COc1ccc(-c2cc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)no2)cc1 35673055 WIGPQJDIPAYBOX-UHFFFAOYSA-N 403.438 4.511 0 40 HJAB Cc1cc(C)c(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)c(C)c1 38486542 NCRSPCBXCIUJLW-UHFFFAOYSA-N 421.497 4.828 0 40 HJAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1Br 38752035 RNQULPKGZSFPRN-QGZVFWFLSA-N 412.349 4.523 0 40 HJAB O=C(CCCCc1ccc(Br)cc1)Nc1cccc(-c2nnco2)c1 40132884 WLOJDGQEUAPBNJ-UHFFFAOYSA-N 400.276 4.851 0 40 HJAB Cc1cccc2sc(NC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)nc12 40140619 VYFZSBSIUWMAIT-UHFFFAOYSA-N 422.531 4.831 0 40 HJAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2cccc(C(C)C)c2)c(=O)c1C 57528239 GFCUCLRHMCEDKW-UHFFFAOYSA-N 409.917 4.943 0 40 HJAB O=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccccc1OC(F)F 58194542 JHYGUOSOFXOORC-UHFFFAOYSA-N 422.229 4.548 0 40 HJAB CC(C)n1ncc(C(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)c1C(F)(F)F 60337280 XRHPHVBABJWCFY-NSHDSACASA-N 423.357 4.699 0 40 HJAB CN(C)[C@H](CNC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1cccs1 62580830 TXWDBRGBWAWUCZ-WIYYLYMNSA-N 411.596 4.770 0 40 HJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1nc2cc(F)c(F)cc2s1 65491441 FVCJYCJCWVEULY-UHFFFAOYSA-N 412.343 4.582 0 40 HJAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)n1 72334722 QNMYECPYXQZAPB-QGZVFWFLSA-N 422.916 4.609 0 40 HJAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N(Cc3ccccc3)C(=O)N1CC2 72342026 HVHZVHOZTWWMRW-XMMPIXPASA-N 400.478 4.792 0 40 HJAB COCc1cc(CN2CCC[C@H]2c2ccc(-c3cnn(C)c3)cn2)ccc1OC(C)C 72374117 FYSDGIAADJVPTM-DEOSSOPVSA-N 420.557 4.753 0 40 HJAB O=C(c1cccc2ncccc12)N1CCC(c2ccc(Nc3ccccn3)cn2)CC1 72374224 UJSHPUKIGRITRL-UHFFFAOYSA-N 409.493 4.788 0 40 HJAB O[C@H](c1ccc(Br)cc1)c1nc(-c2ccc(Br)cc2)c[nH]1 72414122 TWAYZZFGDGXNFT-OAHLLOKOSA-N 408.093 4.683 0 40 HJAB Cc1cccc(OCc2nc3ccccc3n2C[C@H](O)COc2ccc(C)c(C)c2)c1 82086479 JLAOYQVUKJJFCU-NRFANRHFSA-N 416.521 4.980 0 40 HJAB O=C(NCCn1ccc(-c2cccs2)n1)NC(c1ccccc1)c1ccccc1 96103889 QGKMLJHPAATNFC-UHFFFAOYSA-N 402.523 4.700 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3[C@H](O)C(=O)[C@@]21C 118924641 JUIAJKQHOKYMHP-GIJJWQRESA-N 404.591 4.775 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc4ccccc4c3)n2)c1 219034701 AWQUZJGZPIWVNA-KRWDZBQOSA-N 401.466 4.624 0 40 HJAB Cc1cc(S(=O)(=O)Nc2ccccc2-c2ccccc2)ccc1N1CCCC1=O 223789506 INLSZPIFNXRRBR-UHFFFAOYSA-N 406.507 4.590 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@H](C)c2ccccc2)ccc1C 223940716 WWLDUOVHRKKLJF-IBGZPJMESA-N 422.550 4.638 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224264325 NQJLMSZVWLEUQX-IBGZPJMESA-N 414.977 4.771 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)c1 224560095 YSUPKBSGSMDFJU-SFHVURJKSA-N 424.522 4.510 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 224771840 JMPJHAMHNNSSDD-SFHVURJKSA-N 400.950 4.525 0 40 HJAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2cc(C)ccc2C)cc1 225051368 CQQKRQRQJGVQKJ-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 225213543 AUGNRKFUNYXKHR-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 225542898 PKQATZMMDNTJFN-URXFXBBRSA-N 408.586 4.958 0 40 HJAB O=C(O)c1cc(Br)c(-c2cc3ccccc3oc2=O)c(Br)c1 226357472 OXYPUALQTLATOA-UHFFFAOYSA-N 424.044 4.683 0 40 HJAB CC1(C)Cc2ccccc2[C@@H]2OCC3(CCN(C(=O)CCCc4cn[nH]c4)CC3)C[C@H]21 257340433 ZGCIJBUJBSUUOJ-VWNXMTODSA-N 421.585 4.701 0 40 HJAB CC1CCN(c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 408706528 AWGITYKTKXEHAV-KRWDZBQOSA-N 411.933 4.568 0 40 HJAB COc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1C 409180226 XEIHCYHUBSPOHW-UHFFFAOYSA-N 420.383 4.522 0 40 HJAB COC(=O)c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CCCO[C@@H]21 409191049 ZDJWEKGMNUJXGK-DKSSEZFCSA-N 402.288 4.870 0 40 HJAB Cc1c(Br)ccc(NC(=O)CSc2nnc(-c3ccccc3)o2)c1C 409345296 LBJCZRJVDWDNBF-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB COC(=O)C1=CC[C@@H](NC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)C1 1528818464 QDOGZPBSSHESJZ-CQSZACIVSA-N 405.878 4.622 0 40 HJAB Cc1ccc(C2=NO[C@H](C(=O)NCc3cc(Br)c4ccccc4c3)C2)cc1 1534559545 VKNRDZOUCSDIFG-NRFANRHFSA-N 423.310 4.720 0 40 HJAB CCCN1CCCCCCCN(C(=O)c2ccncc2)c2ccc(C(=O)O)cc2C1 2037949631 HRJOTJYDLZRMES-UHFFFAOYSA-N 409.530 4.603 0 40 HJAB C[C@H]1CN(c2ncnc3scc(-c4ccc(Br)cc4)c23)C[C@H](C)O1 707036 YBNZRPRBCVXOSG-RYUDHWBXSA-N 404.333 4.734 0 40 HJAB Cc1cccc(NC(=S)N(Cc2cc3cccc(C)c3[nH]c2=O)C[C@@H]2CCCO2)c1 884912 YCJRZXUJOYIPOH-NRFANRHFSA-N 421.566 4.523 0 40 HJAB OCC[C@@H]1CCCCN1c1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn12 1341385 QPHMEPIENKZRCB-NRFANRHFSA-N 416.500 4.944 0 40 HJAB Cc1cc2cc(CN(C(=O)c3cccs3)C3CCCC3)c3nnnn3c2cc1C 1367423 GYWBLKJQRDPEGE-UHFFFAOYSA-N 405.527 4.541 0 40 HJAB O=C(Nc1ccc(-c2ccc(Br)cc2)oc1=O)c1ccc(Cl)cc1 1389089 OVNAFBNZLJDJCE-UHFFFAOYSA-N 404.647 4.975 0 40 HJAB COc1ccc([C@H](O)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 2398506 QJBBTJIQQBXLJL-SKCUWOTOSA-N 403.459 4.705 0 40 HJAB COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)c1 2434104 NFBZJYRUYPBJHG-IBGZPJMESA-N 422.824 4.501 0 40 HJAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1C(=O)c1cccs1 2631992 UXJRULJQWFTHEF-FQEVSTJZSA-N 406.507 4.570 0 40 HJAB O=C(CSC(=S)NCCOc1ccccc1)Nc1ccc(Cl)c(Cl)c1 2765426 DXSNXAZUEPLXFS-UHFFFAOYSA-N 415.367 4.619 0 40 HJAB O=C1[C@@H](Cc2ccccc2)N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N12 2964390 UAYMEYGHQHIYOQ-OAQYLSRUSA-N 415.493 4.960 0 40 HJAB COc1cc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)cc(OC)c1OC 3210042 WOWUNFMZYGWYLN-UHFFFAOYSA-N 420.509 4.944 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)COc3ccc(C(=O)OC)cc3)ccc21 3264362 QFJILPRCLVJYJB-UHFFFAOYSA-N 402.450 4.619 0 40 HJAB O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccccc1OC(F)F 3283520 OTQDPMSUKLKFQG-UHFFFAOYSA-N 413.376 4.876 0 40 HJAB Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(NC(=O)c4ccc(F)cc4)c23)cc1 4060127 FAXGZPUPWUPAPB-UHFFFAOYSA-N 403.461 4.948 0 40 HJAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(C)C)cc2)C(=O)[C@]31C 4073172 WSXBDEKZOXTDKB-DEOSSOPVSA-N 403.482 4.540 0 40 HJAB biogenic CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2C)C3=O)cc1 4262904 HVLSNFDCDNMGHD-UHFFFAOYSA-N 412.445 4.559 0 40 HJAB CC(C)(C)C(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccccc3F)o2)cc1 4961203 UJGBCXVGFWRKFI-UHFFFAOYSA-N 413.474 4.835 0 40 HJAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(OCC)cc2)cc1 5256219 YYXNQWGTGXKLJU-HSZRJFAPSA-N 405.498 4.923 0 40 HJAB C[C@H]1c2cc3c(cc2CCN1CC(=O)Nc1cc(Cl)cc(Cl)c1)OCCCO3 5423545 PUHDMJIPMKOGKK-ZDUSSCGKSA-N 421.324 4.713 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3C)n2)cc1OC 5557179 ZXEKRXWJNHXLFD-UHFFFAOYSA-N 415.449 4.982 0 40 HJAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1[C@H]1CCCC[C@@H]1C 5829886 OOFAIBVQRYGKQH-BXWFABGCSA-N 416.591 4.712 0 40 HJAB Ic1ccc(CSc2nnc(Cc3ccccc3)o2)cc1 6228783 WSRNSYHFOSZALV-UHFFFAOYSA-N 408.264 4.557 0 40 HJAB C[C@H](Oc1ccc2oc3ccccc3c2c1)C(=O)Nc1ccc(N2CCOCC2)cc1 6831991 NEDFJRPMHZKSJC-KRWDZBQOSA-N 416.477 4.829 0 40 HJAB CCc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1ccc(F)cc1)=N2 6844049 OMFHPQRFXIYTDK-UHFFFAOYSA-N 403.457 4.839 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 7345301 UARAMHPPPFWWFE-UHFFFAOYSA-N 414.571 4.547 0 40 HJAB CCOc1cc2c(cc1CNCc1cc(Cl)c3c(c1)OCCCO3)O[C@H](C)C2 8345230 ORXRJPGNZGMECK-CQSZACIVSA-N 403.906 4.513 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)cc1 8988202 SAFTWWQMMGYCJS-LBPRGKRZSA-N 419.428 4.971 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)no1 9782664 DVEBGZIHVANJAZ-UHFFFAOYSA-N 423.494 4.964 0 40 HJAB COc1ccc2sc(N(Cc3ccccc3)C(=O)COc3ccccc3)nc2c1 10187508 XKUNPLJQVPKACY-UHFFFAOYSA-N 404.491 4.917 0 40 HJAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc2ccccc2c1)S(C)(=O)=O 10335320 DPJCEYJCRGLTBV-OAHLLOKOSA-N 416.930 4.595 0 40 HJAB O=C(Cc1csc(COc2ccc(F)cc2)n1)NCC12CC3CC(CC(C3)C1)C2 11606815 RTUJBSUGCRXSPH-UHFFFAOYSA-N 414.546 4.736 0 40 HJAB Cc1cc(C)c(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c(C)c1 12440877 YLIGEHVONSVFOY-UHFFFAOYSA-N 409.917 4.908 0 40 HJAB CCCOc1c(Cl)cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1OC 12602303 DYAGJRVPZLOOIB-SFHVURJKSA-N 413.905 4.991 0 40 HJAB Cc1ccn2c(NC(=O)c3cncc(Br)c3)c(-c3ccccc3)nc2c1 12603083 LVMSCQSOEWVZKF-UHFFFAOYSA-N 407.271 4.720 0 40 HJAB Cc1ccc(NC(=O)c2nnc(CN(C)Cc3c(F)cccc3Cl)s2)cc1 12763301 NIAYUSACOPLTHP-UHFFFAOYSA-N 404.898 4.523 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1sccc1-c1ccccc1 12851481 NTFPKZQNKBXNNZ-UHFFFAOYSA-N 414.914 4.788 0 40 HJAB Cc1nc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)c4cccs4)C3)cc2)cs1 12986401 GEDVACFZRWKHOZ-INIZCTEOSA-N 411.552 4.671 0 40 HJAB O=C(CSc1ccccc1C(=O)Nc1ccc(Cl)cc1)NCc1ccco1 13041796 BJSWAZHQRDVEIW-UHFFFAOYSA-N 400.887 4.594 0 40 HJAB Cc1ccccc1OCc1nc2ccccc2n1C[C@H](O)COc1ccccc1C 13233566 AYXOALMNGCVSRQ-FQEVSTJZSA-N 402.494 4.672 0 40 HJAB CC[C@@H](C)C(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(C(C)C)c1ccccc12 13635245 PHJQBPWBBDAMKC-QUGAMOGWSA-N 415.537 4.597 0 40 HJAB CCn1nc(C(=O)N(Cc2cccnc2)c2nc3cc(C)c(C)cc3s2)cc1C 13703350 DHMRSELTVMYCCE-UHFFFAOYSA-N 405.527 4.680 0 40 HJAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1C(=O)NCCc1ccccc1 13990812 AEHBMQRQUYPDOC-CCEZHUSRSA-N 404.897 4.964 0 40 HJAB Nn1c(Cc2cccc3ccccc23)nnc1SCCOc1ccccc1Cl 14095062 KGCFWECQHYGMPQ-UHFFFAOYSA-N 410.930 4.560 0 40 HJAB CCCCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccnc12 15841087 SCEDZXAIEPXOCH-UHFFFAOYSA-N 410.470 4.692 0 40 HJAB COc1ccccc1Oc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 16303698 GISHDAUNAKQHLC-UHFFFAOYSA-N 416.477 4.862 0 40 HJAB CCC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 18135530 WIWDMNQQTQAREC-JOCHJYFZSA-N 408.523 4.759 0 40 HJAB COc1ccccc1Oc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 18239010 WKHGSTHPRPMJNF-UHFFFAOYSA-N 402.450 4.867 0 40 HJAB CCCC(=O)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19501309 UJHLUJZZIQXJRD-IBGZPJMESA-N 401.514 4.788 0 40 HJAB Cc1cc(OCC(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc(C)c1Cl 20144321 MLNLHLYAXFEJNP-UHFFFAOYSA-N 402.661 4.979 0 40 HJAB CC(C)c1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1 20151625 KBTMDYBGXWVKRO-UHFFFAOYSA-N 411.310 4.942 0 40 HJAB CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(CC)cc4)cc3n2)cc1 21146965 LHBRURMFUBJZCS-UHFFFAOYSA-N 400.482 4.942 0 40 HJAB Cc1cc(C)cc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1 22273895 JBJCISNICZCAQU-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB COc1ccc(S[C@H](C)C(=O)NCCSCc2ccccc2C)cc1OC 22533123 KYKURXNRKXBGQS-MRXNPFEDSA-N 405.585 4.542 0 40 HJAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)ccc1F 23074763 BJFZPOJBFYWMHK-MRXNPFEDSA-N 424.497 4.526 0 40 HJAB CC(=O)NCCc1ccc(C(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3s2)cc1 32170781 XUGMIGCEVQCRIQ-GFCCVEGCSA-N 418.971 4.992 0 40 HJAB Cc1sc2nc([C@H](C)SCCC(=O)N[C@@H](C)c3ccccc3)[nH]c(=O)c2c1C 32778739 QPCJPDUOWMYFPL-ZFWWWQNUSA-N 415.584 4.663 0 40 HJAB O=C(CCSc1nnc(NC2CCCCC2)s1)NCc1ccccc1Cl 32871028 BABVYXDWTWCVSC-UHFFFAOYSA-N 410.996 4.735 0 40 HJAB CC[C@@H](C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 32903710 ZLQXJWGXMXEXFX-QAPCUYQASA-N 420.600 4.609 0 40 HJAB COc1ccc(OC)c(C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)c1 32925819 KOIUBACTENJIGD-UHFFFAOYSA-N 405.454 4.909 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1 33170767 BVVMTUNOTNCZQQ-UHFFFAOYSA-N 418.497 4.910 0 40 HJAB COc1ccc(NC(=O)c2sc3nc4c(C)cc(C)cc4cc3c2N)cc1OC 35289644 YMAFLOIKGNTJLJ-UHFFFAOYSA-N 407.495 4.918 0 40 HJAB COC(=O)c1c(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)sc2c1CCCC2 35476544 GOJJZKYUPUENHJ-INIZCTEOSA-N 402.491 4.922 0 40 HJAB Cc1c(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2n1C 35937966 UFRMPGUADNZHQM-UHFFFAOYSA-N 415.459 4.510 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073460 OOJUBUSRUXZTQW-QGZVFWFLSA-N 407.297 4.554 0 40 HJAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cc(-c2cccc(F)c2)no1 55742702 SWLUBSKIBISVLR-UHFFFAOYSA-N 407.445 4.749 0 40 HJAB Cc1cccc2nc(CSc3nnc(N4CCCC4)n3-c3cccc(Cl)c3)cn12 58155945 MOFSMEXNZBOITJ-UHFFFAOYSA-N 424.961 4.769 0 40 HJAB C[C@@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccc2c(c1)OCO2 58377958 QXBUSGCHBJHPKC-ZCFIWIBFSA-N 408.068 4.915 0 40 HJAB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(O)cc2)cc1 59474591 NZLFTJVBJBXNHH-UHFFFAOYSA-N 418.537 4.816 0 40 HJAB CCn1nc(C)c2nc(SCc3ccc(C)cc3)n(Cc3ccc(C)cc3)c(=O)c21 64817173 NRVGOYPRBZCLSR-UHFFFAOYSA-N 418.566 4.879 0 40 HJAB O=C(NCc1ccc(Cl)cc1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 67261287 PISPWFSUGVRCQD-UHFFFAOYSA-N 424.291 4.566 0 40 HJAB O=C(N1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1)C12CC3CC(CC(C3)C1)C2 72347869 CAFKVXXIZGXUIK-UHFFFAOYSA-N 414.933 4.628 0 40 HJAB COc1ccc(NC(=O)CN2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 72357660 NHUWVTYEMDRRID-DEOSSOPVSA-N 419.500 4.596 0 40 HJAB CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2C(F)(F)F)CC1 95081638 CZUOJTOFERHNOK-UHFFFAOYSA-N 409.246 4.525 0 40 HJAB Cc1ccc(C2=NN(C(=O)CN(Cc3cccnc3)C(C)C)[C@H](c3ccco3)C2)cc1 95446673 OAKMMABSBYWIBY-QHCPKHFHSA-N 416.525 4.571 0 40 HJAB C[C@H]1CC[C@H]2[C@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@@H](O)[C@@]43C)N2C1 118915637 AANKDJLVHZQCFG-FTJNRNOHSA-N 413.646 4.626 0 40 HJAB in-vitro CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)NC(C)C)cc1 222496974 GBCWGMXSHFAGPS-DEOSSOPVSA-N 408.586 4.822 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1C1CCCCC1 223090891 ILKGCNDPDNVZOU-FCHUYYIVSA-N 406.555 4.830 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1C1CCCCC1 223090960 ILKGCNDPDNVZOU-FGZHOGPDSA-N 406.555 4.830 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1 223646363 PMEDDVWZSAQMSX-UHFFFAOYSA-N 419.886 4.950 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 224632908 GWYVMVAYNZXVDG-QGZVFWFLSA-N 418.990 4.517 0 40 HJAB Cc1cccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC(C)C)c1 225509812 AKAFAWIQXXWFOZ-FQEVSTJZSA-N 424.585 4.613 0 40 HJAB COc1ccc(C2(NC(=S)Nc3cccc(N4CCCC4=O)c3)CCCC2)cc1 225870481 FFJBOFKKQBOBCL-UHFFFAOYSA-N 409.555 4.578 0 40 HJAB COc1ccc(C(C)C)cc1S(=O)(=O)N1c2ccc(Br)cc2C[C@H]1C 260731409 FBKNOGHDUUNZOL-CYBMUJFWSA-N 424.360 4.721 0 40 HJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(I)cc1C 408677422 CPZCHCYZPXVWTF-OAHLLOKOSA-N 413.230 4.535 0 40 HJAB CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)cc1 408701961 IFAHJUDNGLLQLV-UHFFFAOYSA-N 420.962 4.575 0 40 HJAB C[C@H](NC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2)c1noc(-c2ccccc2)n1 507475993 IRNARSQZKNLOSS-ZLGUVYLKSA-N 400.482 4.828 0 40 HJAB O=C(NCCCCn1ccnc1)Nc1ccc(F)cc1-c1nc2ccccc2s1 592930059 CDRHXERTQIAZBE-UHFFFAOYSA-N 409.490 4.901 0 40 HJAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1 643570587 KJVAMORAJBGNOQ-UHFFFAOYSA-N 424.560 4.785 0 40 HJAB CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](Cc3cccc(-c4cnc5ccccn45)n3)[C@H]2C1 2037838689 WHUCQXWVGWCLSN-NLWGTHIKSA-N 418.541 4.832 0 40 HJAB CCc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(Cl)cc4)c(=O)c23)cc1 955183 QRDIIYRSNYWALX-UHFFFAOYSA-N 423.925 4.980 0 40 HJAB COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1cccc(F)c1 998059 CNQZJSZGKQSABC-JAIQZWGSSA-N 421.399 4.897 0 40 HJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@H](C(C)C)OC3 1253919 ZKWOMKVUDBYLKU-MRXNPFEDSA-N 416.568 4.665 0 40 HJAB CCN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 1447605 SMDYKBYZXYWCTG-UHFFFAOYSA-N 417.944 4.883 0 40 HJAB COCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 2449038 XASNCIZQJCFEDH-UHFFFAOYSA-N 424.526 4.799 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2C)cc1 3130914 WAFULEVJKLPJPW-UHFFFAOYSA-N 404.495 4.791 0 40 HJAB Cc1cc(C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccco2)c(C)o1 3336722 ROQVGDYCGBUKCP-UHFFFAOYSA-N 420.387 4.789 0 40 HJAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(SC)ccc1Cl 3488589 BDFQERQUHMHOCR-UHFFFAOYSA-N 400.283 4.519 0 40 HJAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1C 4078882 FVWIPJCRYXKNQW-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1OCC 4087577 SZPKMGMXKBERHB-UHFFFAOYSA-N 423.538 4.977 0 40 HJAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(OCC)c(Cl)c2)c1 4089604 WHQXSZXMYCMECV-UHFFFAOYSA-N 419.934 4.604 0 40 HJAB CCOc1ccc(-c2cn3c(CC(=O)N4c5ccccc5C[C@@H]4C)csc3n2)cc1 5146981 AWHHEGMARFOWOH-INIZCTEOSA-N 417.534 4.982 0 40 HJAB Cc1ccc(-c2nc3c(s2)CN(C(=O)c2ccc(Br)o2)CC3)cc1 5451889 DMQVMTZBCWRJJG-UHFFFAOYSA-N 403.301 4.673 0 40 HJAB COc1ccc(C2=N/C(=C/c3ccccc3OC(=O)c3ccc(C)cc3)C(=O)O2)cc1 5682677 RAAAPXZXPKTZEA-RCCKNPSSSA-N 413.429 4.567 0 40 HJAB Cn1c2ccccc2c2cc(/C=C/[C@]34NC(=O)CN3c3ccccc3C4(C)C)ccc21 5791439 UWLCEXJROBTUKM-RTHBMQBDSA-N 407.517 4.969 0 40 HJAB COc1ccc2c(c1)C(c1ccc(OCC(C)C)cc1)=NNC(c1ccncc1)=N2 6134900 SPQAKPRKEPCPJA-UHFFFAOYSA-N 400.482 4.559 0 40 HJAB CCN1C(=O)/C(=C\c2ccc(OC)c(Cl)c2)S/C1=N/c1ccc(OC)cc1 6954392 UQCRNKUYFKZGIS-LMDBJESCSA-N 402.903 4.981 0 40 HJAB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(F)c1 6962007 XFASDUULZIWERB-RGVLZGJSSA-N 409.848 4.984 0 40 HJAB C[C@H](NC(=O)CSc1nncn1-c1ccccc1)c1ccc(-c2ccccc2)cc1 8133994 AJLQMFIVCWICDM-SFHVURJKSA-N 414.534 4.904 0 40 HJAB CC[C@@H](C)[C@@H](C(=O)Nc1cc2c(cc1Br)OCCO2)c1ccccc1 8404849 DRGVEJQXIWCSTB-BFUOFWGJSA-N 404.304 4.989 0 40 HJAB CCc1cccc(CC)c1NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 8492334 FFRFPFKJEMGQML-UHFFFAOYSA-N 422.978 4.650 0 40 HJAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(Cl)c2)c1 8664954 KFEQPWKKTVXYOP-HXUWFJFHSA-N 402.837 4.900 0 40 HJAB CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(F)c(F)c1 9320507 KRXUGRVGCKLTGD-UHFFFAOYSA-N 423.462 4.671 0 40 HJAB COc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c2ccccc12 9996182 RKBIYOSVITUSEO-UHFFFAOYSA-N 419.506 4.547 0 40 HJAB Cc1ccc2nc(Nc3ncc4c(n3)C[C@H](c3cccs3)CC4=O)nc(C)c2c1 10157479 IOTCLLRYSJVGJT-AWEZNQCLSA-N 401.495 4.754 0 40 HJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Nc1ccc2c(c1)OCO2 10464369 FZSXMHAYLDMSHT-INIZCTEOSA-N 417.465 4.893 0 40 HJAB Cc1cc(Br)ccc1NC(=O)COc1ccc(C)c2c1C(=O)C[C@@H]2C 11052837 XVOJPGHFHPOIQP-ZDUSSCGKSA-N 402.288 4.773 0 40 HJAB CC[C@H]1CCCCN1C(=O)COC(=O)/C(=C/c1cccc(OC)c1)c1ccccc1 11203083 MRSACZXPGMDMCO-KYCFSCSMSA-N 407.510 4.570 0 40 HJAB CC(C)Cn1nc([C@H](Cc2ccccc2)NC(=O)c2ccccc2F)c2cccnc21 12236282 ZXIXTLOMIXMDJG-QFIPXVFZSA-N 416.500 4.940 0 40 HJAB COc1ccc([C@@H](NC(=O)c2oc3c(Cl)cccc3c2C)c2nccn2C)cc1 12535128 ZMNRIXZHUMXELF-GOSISDBHSA-N 409.873 4.656 0 40 HJAB C[C@H]1CN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C[C@@H](C)O1 12561501 MUDFBKCKCRBPPG-VWKPWSFCSA-N 424.368 4.570 0 40 HJAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C)CCc3ccccn3)cc12 12650966 FGACMOHTCKUQJA-UHFFFAOYSA-N 410.930 4.759 0 40 HJAB COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)N(C)C)c3ccccc3n2)cc1 12781643 LJVCNWXUTOFMRI-HSZRJFAPSA-N 415.493 4.536 0 40 HJAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 12880480 LXZNNFSVBLEQKJ-UHFFFAOYSA-N 407.411 4.729 0 40 HJAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(NC(=O)C4CC4)c3)c12 12929355 GAQBBLQUCYGHHO-UHFFFAOYSA-N 412.449 4.799 0 40 HJAB Cc1cc(C)cc(OC[C@H](O)Cn2c(COc3ccccc3)nc3ccccc32)c1 15860755 GRNJYSVELFXGPH-HXUWFJFHSA-N 402.494 4.672 0 40 HJAB O=S(=O)(NCCSCc1c(F)cccc1Cl)c1ccc2ccccc2c1 16545876 LWQWINRZKROTFB-UHFFFAOYSA-N 409.935 4.844 0 40 HJAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Br)c1 16751657 MKTUOVIULKVWFJ-GOSISDBHSA-N 412.283 4.901 0 40 HJAB Cc1ccc(S(=O)(=O)Oc2c(C)ccc3c2N(C)[C@H]2c4ccccc4C[C@@H]32)cc1 17111901 ZSYRDYJPMNKALU-VXKWHMMOSA-N 405.519 4.902 0 40 HJAB Cc1c(CN2CCO[C@H](c3c(C(N)=O)sc4ccccc34)C2)oc2ccccc12 19697603 TUIHUOLVTKPMRO-IBGZPJMESA-N 406.507 4.628 0 40 HJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(Cl)cc1Cl 20144231 HGFBCOCOLHNRLQ-UHFFFAOYSA-N 422.264 4.772 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(C(=O)OC3CCCCC3)cc2)c1 20412221 KVRVOYBPNWDQBS-UHFFFAOYSA-N 410.539 4.920 0 40 HJAB CCOC(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Cl 20459484 IVBPLCWHIPHPRR-UHFFFAOYSA-N 408.690 4.624 0 40 HJAB O=C(Nc1ccccn1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20736080 NMFDNOLMVWWORB-QHCPKHFHSA-N 411.505 4.773 0 40 HJAB Cc1nc(-c2ccsc2)sc1C(=O)N(C)CC(=O)Nc1ccccc1Cl 23039156 JGEQQROSZHFWNG-UHFFFAOYSA-N 405.932 4.544 0 40 HJAB O=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Br)c1ccccc1F 32611676 WAESNEQHIHTQKR-UHFFFAOYSA-N 408.658 4.739 0 40 HJAB O=C(CSc1ccccc1C(=O)Nc1ccc(-c2ccccc2)cc1)NC1CC1 32901482 JIKGQAFMSBKURS-UHFFFAOYSA-N 402.519 4.977 0 40 HJAB O=C(NCc1cccc(Cl)c1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 33170744 XHVYAFLODKGWPS-UHFFFAOYSA-N 422.916 4.843 0 40 HJAB COc1ccc2[nH]c3c(SCC(=O)Nc4ccc(C)c(Cl)c4)ncnc3c2c1 33298736 UKNGQRZBVAZCPL-UHFFFAOYSA-N 412.902 4.812 0 40 HJAB CCN1C/C(=C/c2ccc(OC(F)F)cc2)c2nc3ccccc3c(C(=O)O)c2C1 33504638 UCUIBIWUXLFFGQ-PTNGSMBKSA-N 410.420 4.911 0 40 HJAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1c2cccc3cccc(c23)S1(=O)=O 33739713 WLTDZGLLOXZTCX-NSHDSACASA-N 421.305 4.683 0 40 HJAB CC[C@H](CNC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C)N1CCCC1 36396615 XCGDEHDIRAHHNH-OAQYLSRUSA-N 421.541 4.628 0 40 HJAB COCc1nn2c(C)c(C(=O)Nc3ccc(Cl)cc3)cnc2c1-c1ccccc1 38829699 OOKGSBCCIQKNOB-UHFFFAOYSA-N 406.873 4.757 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 40073458 RUKZEIVMOBTNFK-QGZVFWFLSA-N 407.297 4.554 0 40 HJAB COc1ccc(CCNc2cc(C)nc3c(C)c(-c4ccccc4)nn23)cc1OC 40216622 XVRDRMBWNPOYJU-UHFFFAOYSA-N 402.498 4.685 0 40 HJAB Cc1cc(C)n(-c2ccc(NC(=O)c3cc(F)ccc3Br)cc2F)n1 47409254 ZMKBYJFUUFJSKR-UHFFFAOYSA-N 406.230 4.782 0 40 HJAB CCS[C@H]1CC[C@H](NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 72303480 QGFNZSOHVYRCAT-OALUTQOASA-N 415.555 4.687 0 40 HJAB CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3C)CC2)[nH]n1 72331272 RBYCKCLIPVGRDR-UHFFFAOYSA-N 418.541 4.526 0 40 HJAB Cc1noc(C)c1C(=O)N1CCC(c2[nH]c3ccccc3c2-c2ccncc2)CC1 72342177 RAHIQJKVTBDHNB-UHFFFAOYSA-N 400.482 4.855 0 40 HJAB CC(C)CC(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(=O)N(C)C)CC1 72345185 LDYBTTPHYABFHR-UHFFFAOYSA-N 406.570 4.639 0 40 HJAB COc1cc(-c2nc(CSc3nnc(-c4ccccc4C)n3C)cs2)ccc1O 78995219 PEVMNPHMISSTMJ-UHFFFAOYSA-N 424.551 4.921 0 40 HJAB C[C@H](C(=O)Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1)c1ccccc1 95470985 IJFFWVRITOIZDP-HNNXBMFYSA-N 418.880 4.878 0 40 HJAB CC(C)(C)c1cc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)on1 96167251 CTALCWYIQYHMTN-IBGZPJMESA-N 401.557 4.681 0 40 HJAB COC(=O)CC[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@@]21C 118912989 ZHUOOEGSSFNTNP-YAAGUFSRSA-N 406.607 4.566 0 40 HJAB CCc1ccc(OCC(=O)NCCSc2ccc(C)cc2)c(Br)c1 218859724 KLPOXQKCZHPLBF-UHFFFAOYSA-N 408.361 4.607 0 40 HJAB Cc1ccccc1CSCCNC(=O)[C@H](C)Oc1ccc(Br)cc1 219676926 IWQRZJISTRRIAM-HNNXBMFYSA-N 408.361 4.574 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 222778707 RAKSWROCDZCQBL-FQEVSTJZSA-N 401.890 4.802 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 223081861 HQIDWPMDIQTMNY-OAQYLSRUSA-N 424.585 4.831 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 223188437 QTSWFQFPIFPHNV-IQJJTXKVSA-N 402.494 4.853 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 223924799 INCPTBFZIFOCTH-SFHVURJKSA-N 408.523 4.595 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(C)cc3C)ccc2C)cc1 224056859 ROQUHZOQAIRTRT-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccccc1OC 224244086 QYRWLBXIRNFJGU-UHFFFAOYSA-N 405.450 4.738 0 40 HJAB COCc1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3Cl)CC2)c1 224541764 KZDXCNFVINYKAY-UHFFFAOYSA-N 407.341 4.991 0 40 HJAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC(C)C)cc1 225357609 OJFMIHYSLGOKLK-FCHUYYIVSA-N 406.555 4.867 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C 225554533 MIGQBJXJCYLCLS-JTHBVZDNSA-N 424.585 4.713 0 40 HJAB CCn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)c(C)n1 253508434 KQSUPNWTORYXDA-SXDXMENTSA-N 412.618 4.969 0 40 HJAB Cc1cc(C)nc(Nc2cncc(C3CCN(Cc4ccccc4Cl)CC3)n2)n1 257234545 GUBPIFTYAMELFI-UHFFFAOYSA-N 408.937 4.660 0 40 HJAB Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@H](Cc2cccc3ncccc23)C1 257239576 HPYMDZGHCFNVBH-OAQYLSRUSA-N 424.548 4.883 0 40 HJAB O=C1Nc2ccccc2/C1=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 409161045 STPJWFLCPKTYQX-PFONDFGASA-N 405.262 4.552 0 40 HJAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCc2cc(-c3ccncc3)ccc21 585146968 ICWQXXWQMVIQOR-UHFFFAOYSA-N 418.440 4.660 0 40 HJAB Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)c3cccc4nccnc34)cc2)cc1 1125747341 MAXJYEGBWPCWRS-LJQANCHMSA-N 411.505 4.878 0 40 HJAB CC(C)(C)NC(=O)CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1 715068 WKAXFYYELLKSDR-UHFFFAOYSA-N 405.589 4.822 0 40 HJAB COc1ccc(-c2cc(=O)c3cc(Br)cc(Br)c3o2)cc1 1106343 GFBORTFEPOWNPO-UHFFFAOYSA-N 410.061 4.994 0 40 HJAB COc1ccc(CNC(=O)c2c(C)oc3c2cc(OC(C)=O)c2ccccc23)cc1 1236052 RSOHZBLVPCXUOA-UHFFFAOYSA-N 403.434 4.758 0 40 HJAB O=C1C2=C(C(c3ccccc3)=NCCN2)[C@H](c2ccc(Cl)cc2)N1c1ccccc1 1409516 LVPYGTYIVPHRTJ-DEOSSOPVSA-N 413.908 4.775 0 40 HJAB CCCCCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 2264936 FCPXJHSQTMMNQH-UHFFFAOYSA-N 408.527 4.580 0 40 HJAB O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)Nc1ccc(F)cc1 2652283 QBTCJPBKZKJSFK-UHFFFAOYSA-N 422.460 4.943 0 40 HJAB CCc1cc2c(SCC(=O)N3CCC(Cc4ccccc4)CC3)ncnc2s1 3301810 XTVHTUHHCMHTKM-UHFFFAOYSA-N 411.596 4.827 0 40 HJAB COc1cc(-c2cc(Nc3ccccc3N)n(-c3ccccc3)n2)cc(OC)c1OC 3336094 XVMPVCRGMUNZAI-UHFFFAOYSA-N 416.481 4.891 0 40 HJAB CCCC(=O)N1c2ccccc2-c2nnc(SCC)nc2O[C@@H]1c1cccs1 3637607 WBNUJEZXDSLDEQ-LJQANCHMSA-N 412.540 4.936 0 40 HJAB COc1cccc(-c2ccc(SCC(=O)Nc3cc(Cl)ccc3OC)nn2)c1 4356475 RDAGHHDCHFVKKR-UHFFFAOYSA-N 415.902 4.545 0 40 HJAB CCCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1 4800248 SIDUAILLPSPOIB-UHFFFAOYSA-N 409.559 4.778 0 40 HJAB Fc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN23)c1 4931880 NNYPZDZNCUZTQH-YKSBVNFPSA-N 402.425 4.839 0 40 HJAB CCOc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(OC)cc2OC)cc1 5256228 AUZDDTMFZKTWGU-QHCPKHFHSA-N 421.497 4.541 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OCC(=O)C(C)(C)C)cc12 6280282 KPUGXNHYBRGRKC-UHFFFAOYSA-N 404.919 4.880 0 40 HJAB CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1 6630764 NWKKYYSPZCXLHJ-UHFFFAOYSA-N 406.482 4.724 0 40 HJAB Cc1cccc(-n2c(C)nnc2SCC(=O)c2ccc(Br)cc2)c1 6820623 HZRPTFIZXWZESE-UHFFFAOYSA-N 402.317 4.622 0 40 HJAB Cc1ccc(C)c(-n2nnc(-c3nsc(NC(=O)c4ccc(C)c(C)c4)n3)c2C)c1 6914610 UFRKDPXAGGJHHV-UHFFFAOYSA-N 418.526 4.580 0 40 HJAB O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CC[C@H]2CCCC[C@H]2C1 8193109 HHMQHUXMTGNACB-QUCCMNQESA-N 410.583 4.904 0 40 HJAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 8231718 GZJLLGCSQNFHTC-MRXNPFEDSA-N 405.523 4.693 0 40 HJAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 8498340 JTQIXDZNEMGVAU-OAHLLOKOSA-N 409.869 4.986 0 40 HJAB CCN(CC)c1ccc(-c2nnc(SCc3cc(C(C)=O)ccc3OC)n2C)cc1 8710998 IASYXMGSICTOIT-UHFFFAOYSA-N 424.570 4.832 0 40 HJAB O=C(O)c1nc(-c2ccc(Br)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 8730867 ZSAXFXVDAFYBSV-UHFFFAOYSA-N 413.058 4.702 0 40 HJAB CCN(CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1 8783005 WBTAFHCOUCNRDI-UHFFFAOYSA-N 402.922 4.524 0 40 HJAB O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1ccc2c(c1)OCO2 9175686 OLIAXNUSDOJTFT-UHFFFAOYSA-N 409.286 4.615 0 40 HJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)COc1ccc(-c2nnco2)cc1 9378054 XSKDPABUTSWGMQ-UHFFFAOYSA-N 423.856 4.687 0 40 HJAB Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2ccccc2F)no1 9488656 NBXFFSBKASBFFD-LJQANCHMSA-N 424.815 4.940 0 40 HJAB O=C(CSc1ccc(Cl)cc1)N1CCN(c2nc3c(F)cccc3s2)CC1 9543571 YIRZFDFLNGSGSN-UHFFFAOYSA-N 421.950 4.530 0 40 HJAB O=C(C[C@@]1(O)C(=O)N(Cc2cccs2)c2ccccc21)c1cccc2ccccc12 9576832 DARRHCNRRBTYSH-VWLOTQADSA-N 413.498 4.909 0 40 HJAB O=C(NCCSCc1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1 10331754 KLYXRGZZZMWONJ-UHFFFAOYSA-N 402.991 4.989 0 40 HJAB Cc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1NS(=O)(=O)c1ccccc1 10361203 DMWLSLPHDOIYOX-LJQANCHMSA-N 422.550 4.547 0 40 HJAB COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc(OC)c1OC 10551279 YANZPWNDNPGYAW-UHFFFAOYSA-N 410.495 4.577 0 40 HJAB Cn1ccc(N[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)n1 10751756 LHGXOJUJNUAHEA-KRWDZBQOSA-N 408.811 4.884 0 40 HJAB CC(C)(C)[C@@H]1CCC(=O)[C@H]([C@@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)C1 12364947 IYEKJECYTDIWBW-FLPMJASOSA-N 409.501 4.592 0 40 HJAB O=C(NC1CC1)[C@H](Sc1nccn1-c1ccc(Cl)cc1)c1ccc(F)cc1 12478768 JBQXVXURALLTOL-GOSISDBHSA-N 401.894 4.777 0 40 HJAB Cc1nc(C2(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)CCCCC2)no1 12927023 VJGYFVQZMPBRJR-UHFFFAOYSA-N 403.548 4.564 0 40 HJAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cc(F)cc(F)c1 13988324 JINQIDKLFORJPN-UHFFFAOYSA-N 403.432 4.807 0 40 HJAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(C)cc1C 14126532 KYVOKAPGWJELKJ-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 14268887 GOMNRKRTIGOSEZ-UHFFFAOYSA-N 423.700 4.638 0 40 HJAB COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc(C)cc2C)cs1 15880761 GVLSZNONCPPSBX-UHFFFAOYSA-N 410.499 4.594 0 40 HJAB CN(Cc1ccc(Br)s1)C(=O)c1ccc(F)cc1Br 18108019 OAACBIGEUIHWRA-UHFFFAOYSA-N 407.102 4.684 0 40 HJAB Cc1ccnn1Cc1cc(C(=O)Nc2nc3c(s2)CCCCC3)c2ccccc2n1 19238539 GNCNHGQFPXOYCE-UHFFFAOYSA-N 417.538 4.766 0 40 HJAB Nc1ccc(-c2ccc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)nc2)cn1 19688963 YZMUPKBMBBEVHY-OAQYLSRUSA-N 406.917 4.676 0 40 HJAB COc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccc(C)cc4)nc3C2)c(OC)c1 20101530 WNDRLZAEFXQXOP-INIZCTEOSA-N 403.482 4.767 0 40 HJAB COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccc(F)cc1Cl 22074784 LUVUUVGREHCYLJ-NRFANRHFSA-N 415.892 4.890 0 40 HJAB O=C(/C=C/c1ccc(Br)o1)N1CCC[C@@H](c2nc3ccccc3o2)C1 27386253 PSJLUKQURRJZRD-AORWBKJGSA-N 401.260 4.603 0 40 HJAB Cc1cccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)c1 27663890 SVCUUCYRFOYSCF-QFIPXVFZSA-N 400.950 4.761 0 40 HJAB Cc1cccc(Cn2cc(Br)c(NC(=O)c3ccc(Cl)cc3)n2)c1 28229121 WTTJLJRGDXVIKA-UHFFFAOYSA-N 404.695 4.908 0 40 HJAB O=C(NCc1ccc(COCC(F)(F)F)cc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 29725831 OIFHRDWRZIUYNC-LSDHHAIUSA-N 412.374 4.686 0 40 HJAB COC(=O)c1cc(NC(=O)c2ccccc2SCc2c(C)noc2C)ccc1F 32903644 XPKAXNLNMGSCPY-UHFFFAOYSA-N 414.458 4.762 0 40 HJAB Cc1nc(COc2ccc(/C=C/C(=O)NCCCOC3CCCCC3)cc2)cs1 32906383 QUMWVEPJKXKJGX-JLHYYAGUSA-N 414.571 4.899 0 40 HJAB Cc1ccccc1OCCOc1c(Cl)cc(/C=C2/SC(=N)NC2=O)cc1Cl 33419915 XVBISUCERGKAAY-MHWRWJLKSA-N 423.321 4.898 0 40 HJAB Cc1cccc(CSCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 38851588 MQGFDYITRAHEDE-OAQYLSRUSA-N 417.018 4.910 0 40 HJAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)C1CCN(c2ncccn2)CC1 40129019 UUPZDAHPZOMIJK-UHFFFAOYSA-N 415.522 4.608 0 40 HJAB O=C(O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Sc1nc2ccccc2[nH]1 51125202 JQUXRTAVYLKBIF-WQRHYEAKSA-N 407.407 4.949 0 40 HJAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1cccc(OC(F)(F)F)c1 51364543 SVRUDYKZDHEBLN-KRWDZBQOSA-N 414.383 4.744 0 40 HJAB O=C(C[C@@H]1CCCO1)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 58358091 NHMRZBLMPRXRGS-ZDUSSCGKSA-N 419.250 4.904 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)c1 59294464 DXXXOYNDLBAPRV-UHFFFAOYSA-N 421.526 4.611 0 40 HJAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC[C@@H]2CCCC[C@H]21 71794064 QYUCAMBOGOAFBE-WMLDXEAASA-N 407.436 4.695 0 40 HJAB CCc1cc(=O)n2nc(N[C@H]3CCCC[C@@H]3c3ccc(C(F)(F)F)cc3)sc2n1 72310220 NRMIPQRDCKHRJQ-CVEARBPZSA-N 422.476 4.871 0 40 HJAB O=C(CCOc1ccccc1)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 72358272 FLPTUQOPEVXXMW-XMMPIXPASA-N 404.485 4.944 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 72358969 UIYPGPPBWCKASL-SFHVURJKSA-N 414.484 4.713 0 40 HJAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2nc(-c3ccc(F)cc3)sc2C1 72391998 NMRZYLGAABGPSB-GOSISDBHSA-N 414.477 4.831 0 40 HJAB O=C(Nc1ccc(F)cc1)O[C@H]1CCC[C@@H](NC(=O)c2cc(-c3ccccc3)on2)C1 77200355 ACSSJRQHXHGPQC-MOPGFXCFSA-N 423.444 4.770 0 40 HJAB Cc1ccc(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C(=O)O)c2)cc1C 96184192 SORWFRHWPWLXNV-UHFFFAOYSA-N 421.497 4.502 0 40 HJAB CSc1cccc(N[C@@H]2CC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c1 103248746 XUJXNAVOTXFJJG-CQSZACIVSA-N 414.836 4.825 0 40 HJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1 223020195 SYBZKTBZIORVHH-FQEVSTJZSA-N 402.922 4.974 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 223073910 YZIGBKCWZKYMKU-UHFFFAOYSA-N 416.568 4.981 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)c2)cc1 223958946 YJNZWYNBJUQIQW-LJQANCHMSA-N 422.550 4.904 0 40 HJAB CCCCOCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1OCC 224730377 CTWXQAHCOAVLPT-UHFFFAOYSA-N 414.521 4.504 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 225192618 QOSALOJLIOGBRC-QHCPKHFHSA-N 424.585 4.831 0 40 HJAB CC[C@H]1N=C(c2ccc(OC)c(OC)c2)c2cccn2-c2cc(OC)c(OC)cc21 225378064 NGGWPJVWKIODAK-QGZVFWFLSA-N 406.482 4.814 0 40 HJAB CC1=C(c2ccccc2)N[C@@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)S1 408910726 JALVIZBPWBWQAY-WLRWDXFRSA-N 409.338 4.886 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2CC(C)C)c(C)c1 409106405 NHIKNBFDBQOOAR-UHFFFAOYSA-N 408.571 4.873 0 40 HJAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OC(C)C)cc3)C2=O)c1 409359031 VKVAXDSJOPTCDY-NDENLUEZSA-N 424.522 4.766 0 40 HJAB O=C(O)CCN1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 585263075 ITTOCXUXLIOUHT-UHFFFAOYSA-N 408.527 4.603 0 40 HJAB O=C(c1cccc(F)c1Sc1ccccc1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 681683988 BHXKUVBKDRAJDZ-DEOSSOPVSA-N 418.493 4.713 0 40 HJAB CCC(CC)N1C[C@H](C(=O)Nc2ccc(-c3nc4c(Cl)cccc4[nH]3)cc2)CC1=O 1520525931 KMFILVKXFCYSNL-OAHLLOKOSA-N 424.932 4.859 0 40 HJAB CCCCCC(=O)N1CC[C@H]2CC(=O)Nc3cc(C(C)C)ccc3OCC[C@H]2C1 1534646255 GGOGRQNLPTXVAP-PMACEKPBSA-N 400.563 4.966 0 40 HJAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(OC(C)C)cc1 679725 KEHQSVKKPGGFDW-UHFFFAOYSA-N 407.499 4.509 0 40 HJAB O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@@H](c2c[nH]c3ccccc23)O1 709998 ZFGQRFFERSTKPE-NBGIEHNGSA-N 414.461 4.718 0 40 HJAB COCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 2389472 CNNSAKVRKYFDLI-UHFFFAOYSA-N 420.538 4.816 0 40 HJAB CCC(CC)COC(=O)c1c(N)n(Cc2cccs2)c2nc3ccccc3nc12 2409527 NUEFJUKAFUALDS-UHFFFAOYSA-N 408.527 4.870 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1Cl 2443071 WVNWOJCXHDCUKM-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB COc1ccc(-n2c(S[C@@H]3CCCCC3=O)nnc2-c2ccccc2OC)cc1 2625935 RZIPTUXJRTVRGR-HXUWFJFHSA-N 409.511 4.555 0 40 HJAB Cc1nc(NC(=O)COC(=O)CSc2ccc(Cl)cc2)c(Cl)cc1Cl 2664770 WOLYFFKAYPQSPW-UHFFFAOYSA-N 419.717 4.624 0 40 HJAB COc1ccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c(OC)c1 3325432 JYGPOYQSHKKBKT-UHFFFAOYSA-N 405.479 4.870 0 40 HJAB CC(C)c1ccc(Nc2nnc(SCC(=O)NCc3cccs3)s2)cc1 3325580 YDVLVTSOHVHZLW-UHFFFAOYSA-N 404.586 4.875 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C 4930933 XSNJQSMFJNCHNG-UHFFFAOYSA-N 409.442 4.549 0 40 HJAB Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2cccc(F)c2)no1 5201526 WBXSNBOVTRXTGQ-FQEVSTJZSA-N 404.397 4.595 0 40 HJAB COc1cccc(-c2nc3c(c(SCC(=O)c4ccccc4)n2)COC(C)(C)C3)c1 5266076 XRPBVHAPGMEMEA-UHFFFAOYSA-N 420.534 4.979 0 40 HJAB O=C(O)CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1ccccc1F 5351281 JECASEIARZIQCF-QHCPKHFHSA-N 402.425 4.755 0 40 HJAB C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)c1nc2ccccc2c(=O)[nH]1 5887554 UVFBCNREBVPVIW-AWEZNQCLSA-N 415.478 4.617 0 40 HJAB Cc1ccc(C)c(OCCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1 6278151 XCNRSPVNBFQJEA-UHFFFAOYSA-N 404.514 4.696 0 40 HJAB Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCCO3)n(C2CCCCC2)c1C 6589004 JAGIFQGPFKMHBE-UHFFFAOYSA-N 415.559 4.897 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)c(Cl)c2)sc2c1CCC2 6603049 FMBVUKWOVPZWCH-UHFFFAOYSA-N 414.310 4.738 0 40 HJAB CCOc1ccc(Oc2ccc(S(=O)(=O)Nc3cccc(C(C)=O)c3)cc2)cc1 6623490 WZIWAQCHJNTQBN-UHFFFAOYSA-N 411.479 4.881 0 40 HJAB Cc1ccc(-c2noc(CN(C(=O)[C@@H](C)Oc3cccc(Cl)c3)C(C)C)n2)cc1 6737010 WGOAODDVBKXSRY-MRXNPFEDSA-N 413.905 4.903 0 40 HJAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1Cl 6788798 QXLIFKDNOFSBIX-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 7927990 UVMXNJKALCGYHN-FQEVSTJZSA-N 422.525 4.642 0 40 HJAB CCOc1ccc(CN(C)Cn2nc(-c3ccc(CC)cc3)[nH]c2=S)cc1OC 8483715 WHUZUFMPJIWQNR-UHFFFAOYSA-N 412.559 4.667 0 40 HJAB Cc1cc(NC(=O)C2CCN(Cc3ccccc3F)CC2)ccc1Br 9063484 XWHZMQWLOBUVHB-UHFFFAOYSA-N 405.311 4.747 0 40 HJAB COc1ccc(C(=O)N(C(=O)N2CCCCC2)c2ccc(Cl)cc2)cc1OC 9317765 FLRHVCXIONGXQM-UHFFFAOYSA-N 402.878 4.610 0 40 HJAB Cc1cc(C)n2cc(CSc3nnc(-c4ccco4)n3C3CCCCC3)nc2n1 9516131 CMFAZAVFDJZPLQ-UHFFFAOYSA-N 408.531 4.995 0 40 HJAB CS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 10252706 XBUAFMHGXPZIMS-UHFFFAOYSA-N 422.531 4.548 0 40 HJAB O=C(O)[C@H](c1c(-c2ccccc2)[nH]c2ccccc12)N1CCN(c2ccccc2)CC1 12324881 OOIIZLTWYFNOOP-VWLOTQADSA-N 411.505 4.783 0 40 HJAB COc1ccc(CN(Cc2ccco2)C(=O)C2=C(c3ccccc3)SCCO2)cc1 12389588 DOELTWCQUWGMTL-UHFFFAOYSA-N 421.518 4.949 0 40 HJAB Cc1sc(NC(=O)C[C@H](C)NC(=O)c2ccccc2)nc1-c1ccc(F)c(F)c1 12766637 QFJZEAAVZDBKRB-LBPRGKRZSA-N 415.465 4.544 0 40 HJAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 13145375 SYBMJOIIABQHIP-GASCZTMLSA-N 421.563 4.586 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc2c(c1)OCCCO2 14242377 AWCORMCDNAMFPX-UHFFFAOYSA-N 411.889 4.615 0 40 HJAB COc1ccc([C@@H]2C(=O)N(c3ccccc3F)CC(=O)N2c2ccc(Cl)cc2)cc1 15412374 WVLCJKBIHFKTOC-JOCHJYFZSA-N 424.859 4.609 0 40 HJAB CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)/C=C/c3ccccc3)cc2s1 17094063 RQYBANVLNSXRRI-FMIVXFBMSA-N 424.551 4.561 0 40 HJAB COc1ccccc1NC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 18176680 ZOLMFDAIITWYRF-UHFFFAOYSA-N 421.453 4.609 0 40 HJAB CCCc1ncc(-c2cc(C)no2)c([C@@H]2CCCCN2C(=O)Cc2ccc(C)cc2)n1 19525532 RVCDZDLMMVDPGN-NRFANRHFSA-N 418.541 4.997 0 40 HJAB Cc1cc(NC(=O)CN[C@H](C)c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 19535771 YMLBPLNKEGCQNQ-CQSZACIVSA-N 403.313 4.777 0 40 HJAB CC(C)n1c([C@H](C)NC(=O)CCc2nc3cc(Cl)ccc3n2C)nc2ccccc21 19714216 CCOGEPBKBPTHMB-HNNXBMFYSA-N 423.948 4.967 0 40 HJAB O=C(NCc1ccco1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20721380 LDLVRNPRGGTMKL-HSZRJFAPSA-N 414.505 4.648 0 40 HJAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(CC)cc2)CC1 21577993 KALMURIEWATPCC-UHFFFAOYSA-N 413.949 4.603 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)c(Cl)c1 24929097 NQTTYKIAVLVKPA-CYBMUJFWSA-N 406.313 4.868 0 40 HJAB COc1cc(C)c(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc1OC 32671727 HEROJQAKMHJRBI-UHFFFAOYSA-N 405.498 4.854 0 40 HJAB CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1 32740619 QOKRXOSFECZDEV-UHFFFAOYSA-N 401.510 4.737 0 40 HJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1noc2ccccc12 32900346 WKCCEZFQWYIKJP-KRWDZBQOSA-N 413.477 4.842 0 40 HJAB COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cn1 32915875 ISBJTVWEUHLDKW-UHFFFAOYSA-N 404.875 4.645 0 40 HJAB CCOC(=O)CSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1 44085388 HGVMQWIOEAIPBS-UHFFFAOYSA-N 417.328 4.957 0 40 HJAB COc1ccccc1CNc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1Cl 51149534 BTLCFOALYYDWGJ-UHFFFAOYSA-N 410.688 4.813 0 40 HJAB CCn1c(-c2ccncc2)nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c1=S 52569675 HHWIZTYQETUCKN-UHFFFAOYSA-N 407.465 4.604 0 40 HJAB CCCOc1ccc(/C=C/C(=O)N(CCC)[C@@H](C)C(=O)Nc2ccccc2)cc1OC 60331260 CPKCNGZYDDZKEU-LLLGYDHXSA-N 424.541 4.763 0 40 HJAB O=S(=O)(N=[S@@](=O)(c1ccccc1)[C@@H](F)c1ccc(F)cc1)c1ccccc1 71256998 IHWFQFUWDRMVGN-NIYFSFCBSA-N 407.463 4.710 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cnc3c(cnn3C3CCCC3)c2)c1 71849935 XSWQABKGNUWGMA-NRFANRHFSA-N 420.513 4.541 0 40 HJAB Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2C(=O)COc2ccccc2)n1 72376927 ONTDEVPGDUMTRU-HXUWFJFHSA-N 422.916 4.512 0 40 HJAB Cc1ccc(NC(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)cc1C 96037677 SJZSGRCCCMSGKU-UHFFFAOYSA-N 415.541 4.824 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC[C@](C)(C3=O)C4(C)C)cc2)cc1 101095198 BYFBCOKCUCFFQU-CJFMBICVSA-N 420.509 4.653 0 40 HJAB Cc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3Cl)C2=O)c1 102736306 GLTQFBFWISJYOZ-FDFHNCONSA-N 418.880 4.700 0 40 HJAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 195529334 SPLRYQBIIXAWSV-NUJGCVRESA-N 415.452 4.563 0 40 HJAB CCCSc1nnc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)s1 223251355 PEIQYYNXLXWIOZ-AWEZNQCLSA-N 410.996 4.544 0 40 HJAB CC1CCN(Cc2ccc(C(=O)NCCOc3cccc4ccccc34)cc2)CC1 223547517 WPQLDESIHOSTHD-UHFFFAOYSA-N 402.538 4.881 0 40 HJAB Cc1ccccc1CN(C(=O)CSCc1ccccc1)[C@H](C)C(=O)NC1CCCC1 223758026 UFKHMMMAGPXFPX-HXUWFJFHSA-N 424.610 4.704 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)c1 223866094 PJFPZJAQDDVLRC-GOSISDBHSA-N 412.961 4.667 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 224228728 IEMNRTZJMJBFDP-LJQANCHMSA-N 414.977 4.771 0 40 HJAB CC(C)c1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 224491134 ZMKYSTQYZIDKFK-UHFFFAOYSA-N 422.550 4.565 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccc(Cl)cc2Cl)c1 225306747 YDTWVBPOJKVEAD-UHFFFAOYSA-N 403.718 4.920 0 40 HJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)n1 257271291 MXRYLDPGTYSGBN-UHFFFAOYSA-N 418.541 4.693 0 40 HJAB O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccccc1Cl 408628896 XRZAQLAXLRVEEW-UHFFFAOYSA-N 404.116 4.883 0 40 HJAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(OC)c3)nc2-c2ccccc2)cc1 408698801 PQFWPCWXHUUVAN-UHFFFAOYSA-N 414.465 4.594 0 40 HJAB Cc1s/c(=N\C(=O)c2cccc(Br)c2)n(C)c1-c1ccc(F)cc1 409197366 CWORUHSGVADWAJ-UZYVYHOESA-N 405.292 4.705 0 40 HJAB CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 409210924 LQZVEALWHFVHGI-XDHOZWIPSA-N 411.479 4.714 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCC3)ccc2C)c1 409411236 VBXVAFNZQLZGPL-UHFFFAOYSA-N 414.571 4.865 0 40 HJAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc4c(c3)NC(=O)CC4)c12 607686020 KQTXYDRDXSUVEF-UHFFFAOYSA-N 419.529 4.755 0 40 HJAB CCC(=O)N1CCCCCCN(C)C(=O)c2ccccc2OC[C@@H]1Cc1ccccc1 643583653 ZSVZHKTXOFBHDV-QFIPXVFZSA-N 422.569 4.561 0 40 HJAB CCOc1ccc2[nH]c(=O)c(-c3nc4ccc(C)cn4c3NC3CCCC3)cc2c1 1330411 VKZOHGOQMPDLJB-UHFFFAOYSA-N 402.498 4.904 0 40 HJAB O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1nnc(C(F)(F)F)s1 1572108 GWKFUYINVWYZCH-UHFFFAOYSA-N 408.792 4.576 0 40 HJAB COc1cc(OC)cc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 2179507 IOJUHCMKLRZJLB-UHFFFAOYSA-N 400.327 4.674 0 40 HJAB O=C(c1cc2ccccc2oc1=O)N1CCS[C@@H]1c1ccc2c3c(cccc13)CC2 2279996 PWUKWIFKGPHNFC-XMMPIXPASA-N 413.498 4.933 0 40 HJAB CCc1cccc(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 3363869 SYSFKAGMNIGBFO-UHFFFAOYSA-N 422.550 4.782 0 40 HJAB Cc1nc(SCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)nc(C)c1C 3365519 WUGHKJQNIYDWJB-UHFFFAOYSA-N 423.538 4.572 0 40 HJAB COc1ccc([C@H](NC(=O)Cc2cccs2)C(=O)Nc2ccc(C(C)C)cc2)cc1 3615589 BHWHHFQPJFSNNC-QHCPKHFHSA-N 422.550 4.919 0 40 HJAB COc1cc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)cc(Cl)c1OC(C)=O 4223225 MXJZUWLSDLHLQM-VQHVLOKHSA-N 411.841 4.918 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 4248118 ZPIGFQPHLRRPSV-QFIPXVFZSA-N 415.445 4.570 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)o2)cc1 4475402 RKIUBYAZWFCVKE-FHLIZLRMSA-N 404.532 4.841 0 40 HJAB CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 4518016 OYBICFCBHBVNQT-UHFFFAOYSA-N 408.504 4.619 0 40 HJAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1noc2c1CCCC2 4881297 IHLDZISZBUQSSI-UHFFFAOYSA-N 419.312 4.974 0 40 HJAB CC[C@]1(C)N=C(c2ccc(Br)cc2)C(=S)N1C(=O)c1ccccc1 4891913 AFGUAVVBTDPPLF-LJQANCHMSA-N 401.329 4.848 0 40 HJAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nccc(-c3ccc(Br)cc3)n2)C1 4967978 ZYVUFGBKQGKUQK-ZIAGYGMSSA-N 420.376 4.503 0 40 HJAB O=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CCN(C2CCCC2)CC1 4971382 CQUHSTGYIIFITN-UHFFFAOYSA-N 411.546 4.591 0 40 HJAB COc1ccc2nc(N(Cc3ccccn3)C(=O)Cc3ccc(F)cc3)sc2c1 5264556 IKXGQSWWSFHOEE-UHFFFAOYSA-N 407.470 4.615 0 40 HJAB CCOc1ccc(C(=O)OCC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1OCC 5414159 AQRRVTTUADGEHZ-HQRMLTQVSA-N 406.519 4.645 0 40 HJAB COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cccc4ccccc34)n2)cc1 6141779 YDVJXYZOVIZVIY-CQSZACIVSA-N 404.495 4.753 0 40 HJAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1C 6146572 WRTMIDIUOGCELL-UHFFFAOYSA-N 422.550 4.651 0 40 HJAB Clc1ccc(CCNc2nc3ccccc3c3nc(-c4cccnc4)nn23)cc1 6805430 NYDAAQATYZOMPS-UHFFFAOYSA-N 400.873 4.648 0 40 HJAB CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccc(C)cc1C)S2 6812260 XKYLZLCGKOXZGC-NHCUHLMSSA-N 421.570 4.554 0 40 HJAB Cc1nnc(S/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)O)o1 7365722 QYLSKSPSRYTKQU-GRSHGNNSSA-N 409.442 4.738 0 40 HJAB C[C@@H](NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc2c(c1)OCCO2 8190885 PLCAKRBOQARPTE-MRXNPFEDSA-N 411.461 4.559 0 40 HJAB C#CCOc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1OC 8277477 IWVHDHLHZZKHSN-XDHOZWIPSA-N 412.898 4.561 0 40 HJAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O 8383717 KYWMTFHBMWEDQH-TZMCWYRMSA-N 421.722 4.651 0 40 HJAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3cccs3)n2N)c2ccccc2)cc1 8982729 KHRMZTNYWFMUQB-SFHVURJKSA-N 421.551 4.501 0 40 HJAB COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccs4)=NN32)cc1 9590845 ZTZWOMJFTTYCFR-XMSQKQJNSA-N 420.490 4.786 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(Nc2cccc(C)c2)s1 9982847 KYWSHSOGVNDQHM-UHFFFAOYSA-N 420.947 4.983 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)c3cccc(NS(C)(=O)=O)c3C)ccc21 10112809 QEIWQIHVRVECMQ-UHFFFAOYSA-N 421.522 4.747 0 40 HJAB Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3C)c2c1 10272806 UQJFMXIKKILNAE-UHFFFAOYSA-N 411.505 4.869 0 40 HJAB O=C(CNc1ccc(Br)cc1F)N[C@@H](c1ccccc1)c1cccs1 10947213 BELATBQBFFQTFQ-IBGZPJMESA-N 419.319 4.967 0 40 HJAB O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)c1c[nH]c2ccccc12 12534001 MWEFMTPQFGMPSO-UHFFFAOYSA-N 417.538 4.714 0 40 HJAB CC(C)Cn1c(-c2ccc(-c3ccccc3)cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 12537756 LEFXSXUAAWVXLH-UHFFFAOYSA-N 416.525 4.532 0 40 HJAB c1cncc(-c2nc(N3CCC[C@H]3c3ccc4c(c3)OCCO4)c3ccccc3n2)c1 12568095 UTKLRYXGIGJRRO-NRFANRHFSA-N 410.477 4.805 0 40 HJAB COc1cccc(NC(=O)CN(C)C(=O)c2oc3c(ccc4ccccc43)c2C)c1 12901379 DPJKIWUCKQNGGK-UHFFFAOYSA-N 402.450 4.614 0 40 HJAB O=C1NC(=O)/C(=C/c2c(OCc3cnc(Cl)s3)ccc3ccccc23)S1 12961301 OCOFXBGUNNZUET-CHHVJCJISA-N 402.884 4.853 0 40 HJAB CC(C)(C)C(=O)NCCCC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 12988605 BYPKVPKULMCNGU-UHFFFAOYSA-N 411.527 4.970 0 40 HJAB COc1ccc(-c2noc(CCCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 13483838 VRYDJIKOJHHHHQ-UHFFFAOYSA-N 405.376 4.725 0 40 HJAB Cc1ccc(O)c(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2cccs2)N3)c1 13609664 MQWSNXOSTDMLEJ-BLLLJJGKSA-N 422.432 4.871 0 40 HJAB CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13711968 KVZHFURMQIIYOA-IBGZPJMESA-N 408.951 4.647 0 40 HJAB CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]2ON1c1ccccc1 13757849 ZWVOJGSNYJKDCJ-MKWLTTDUSA-N 406.526 4.890 0 40 HJAB O=S(=O)(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cc(Cl)ccc1Cl 14222169 YJKGIVFTHBMRHR-UHFFFAOYSA-N 416.717 4.692 0 40 HJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCC(c2nc3ccccc3o2)CC1 14249249 XVISVANOGIEGFT-UHFFFAOYSA-N 419.456 4.961 0 40 HJAB C[C@H](NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C)c1ccc(Br)cc1 14369382 CKDWRKZVPVJEHW-NEPJUHHUSA-N 420.278 4.534 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(N2CCCCC2)cc1 14401476 GTSZNRCSIGBMFV-UHFFFAOYSA-N 405.542 4.945 0 40 HJAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ncc(-c4ccc(F)cc4)o3)C2=O)cc1 15551667 PFWVVRGLFHZROW-XMMPIXPASA-N 421.472 4.745 0 40 HJAB Cc1c(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)sc2nc3n(c(=O)c12)CCC3 15767105 GXURRWWJDFISKD-JTQLQIEISA-N 422.337 4.510 0 40 HJAB COc1ccc(-c2cc(O)nc(SCc3nc(-c4ccccc4C)no3)n2)cc1 17136094 PDCIOVKKIKRTNA-UHFFFAOYSA-N 406.467 4.509 0 40 HJAB Cc1cnccc1-c1c[nH]nc1[C@H]1CCCCN1C(=O)CCc1ccc(N(C)C)cc1 19239564 LUAODVHMKOTLDP-HSZRJFAPSA-N 417.557 4.533 0 40 HJAB O=C(C1CCCC1)N1CCO[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19692840 PQLHRDNQOWLQBP-NRFANRHFSA-N 418.459 4.781 0 40 HJAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cccc(Cn4ccnc4C)c3)c2)n1 19718337 AYRXRMQSGCVCDY-UHFFFAOYSA-N 419.916 4.948 0 40 HJAB CCc1c(C(=O)Nc2ccc(Cl)cc2C)nnn1-c1ccc(OC(F)F)cc1 19911099 RALWYPWYVCAPLD-UHFFFAOYSA-N 406.820 4.645 0 40 HJAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(Cc2cccs2)CC1 22784254 YWDIRYCUEZLZJX-IBGZPJMESA-N 405.567 4.560 0 40 HJAB O=S(=O)(CCN1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(Cl)cc1 23039902 SQDJMLSBKIWBSL-NRFANRHFSA-N 417.983 4.823 0 40 HJAB Cc1ccc(-c2csc(NC(=O)CSCC(=O)Nc3ccccc3F)n2)s1 24785243 VOHNKBKMRMDAHW-UHFFFAOYSA-N 421.544 4.630 0 40 HJAB CC[C@@H]1CCc2sc(C(=O)NC[C@H](c3ccccc3OC)N3CCCC3)cc2C1 32983093 XAJKVMZMGJANRU-YLJYHZDGSA-N 412.599 4.839 0 40 HJAB COc1cc2c(cc1OC)CN([C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)CC2 34863349 DFZBTMNYFZPVEW-DEOSSOPVSA-N 420.484 4.581 0 40 HJAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1Cl)Nc1ccccc1 35289735 IQQDYUKSZYGIKT-UHFFFAOYSA-N 421.913 4.714 0 40 HJAB O=C(NCCSc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38836875 SRNSUDAEPCHPEO-KRWDZBQOSA-N 406.954 4.600 0 40 HJAB O=C(NCCSCc1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38848488 POOQJOPODHSENP-LJQANCHMSA-N 420.981 4.741 0 40 HJAB CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 44851609 BAZCUYOUOMCJRN-UHFFFAOYSA-N 412.549 4.576 0 40 HJAB Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3ccccc3C)CC1)CC(C)(C)O2 44855221 IVNQTMCUJMSECO-HSZRJFAPSA-N 406.570 4.934 0 40 HJAB Cc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 64557749 SLTTXWHSCDVFAD-OAQYLSRUSA-N 419.502 4.635 0 40 HJAB COc1ccc(OC)c(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c1 67288464 FIVQZTNIWACWCO-UHFFFAOYSA-N 423.488 4.629 0 40 HJAB Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)CC(C)C)CC2)c1 72345309 JLVRACGBLMLWET-UHFFFAOYSA-N 420.597 4.948 0 40 HJAB Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)n1 72375009 WHOBCLKMHDAZDB-HXUWFJFHSA-N 422.573 4.628 0 40 HJAB O=C(c1nccc2ccccc12)N1CCC[C@@H]1c1cccc(Nc2ccc(F)cn2)n1 72375307 HWQZEXAFJUOYAY-HXUWFJFHSA-N 413.456 4.885 0 40 HJAB CC[C@@H](NC(=O)CCc1cc(F)ccc1F)[C@@H](O)c1ccc(C(F)(F)F)cc1 95972128 RHXKEAVOIKSFSB-MJGOQNOKSA-N 401.375 4.545 0 40 HJAB COc1ccccc1-c1noc(-c2cn(-c3cccc(F)c3)c(=O)c3ccccc23)n1 96324394 LRPCYDBRMNORML-UHFFFAOYSA-N 413.408 4.855 0 40 HJAB COc1cc(Br)cc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1ccccc1C 101085233 HSIQTZRYGDNSEA-IFXJQAMLSA-N 403.276 4.536 0 40 HJAB CCCc1cc(C(=O)OCC)c(NC(=O)[C@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)s1 101384571 UURQRNAEFYOBCJ-KNCCTNLNSA-N 419.543 4.509 0 40 HJAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)c1 205328060 CVZOYOBTDAPXKO-UHFFFAOYSA-N 402.560 4.550 0 40 HJAB Cc1ccc(CSCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222628502 HVBUXMNARIPXFN-LJQANCHMSA-N 412.599 4.560 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)ccc1Cl 223361801 XLKWFQBITSNAKV-CQSZACIVSA-N 401.890 4.802 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 223702373 YDZVVPFVKZIMEE-QHCPKHFHSA-N 408.586 4.692 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCOc1ccccc1C(C)(C)C 223719726 QPQBRDWUAMPHPM-OAHLLOKOSA-N 420.347 4.709 0 40 HJAB Cc1ccc(CN(C(=O)Cc2cc(C)ccc2C)[C@H](C)C(=O)NC2CCCC2)cc1 223812849 KAZJDZURYSZEMH-OAQYLSRUSA-N 406.570 4.630 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)c2)cc1 223956924 ZSEZHHWHISNAGB-IBGZPJMESA-N 422.550 4.904 0 40 HJAB CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1 224008727 NJPYJVNHCLDGJB-NHCUHLMSSA-N 420.538 4.544 0 40 HJAB Cc1ccccc1CN(C(=O)COc1ccccc1C(C)C)[C@@H](C)C(=O)NCC(C)C 224141129 MMTNXNSKRAKETD-NRFANRHFSA-N 424.585 4.687 0 40 HJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)cc1 224198438 AVCFYKFTWMSDBA-AJSBUHFISA-N 418.566 4.548 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 224517512 JBMAYUKQVCHVMF-JOCHJYFZSA-N 412.599 4.667 0 40 HJAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)c1 224527167 CDVHYSYZXGMLIU-RTWAWAEBSA-N 406.555 4.824 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 224767337 WBWKFMRXMGTIMK-FQEVSTJZSA-N 424.585 4.615 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1C 224866414 HLLMTXQNZPBKEY-VQTJNVASSA-N 412.946 4.573 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 224976952 AVQIFHPPGBOYCE-WOJBJXKFSA-N 412.599 4.809 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 225041388 VYMNKZBPMHNLHP-RTWAWAEBSA-N 424.585 4.829 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)cc1 225165780 QBYXNYVENQPHAR-HXUWFJFHSA-N 424.560 4.933 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)N[C@H](C)CC)cc1 225239212 MQDGUFLVXHXOGT-RTBURBONSA-N 412.549 4.653 0 40 HJAB Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)C)cc1 225646177 NUIDANHEXREIMC-INIZCTEOSA-N 421.368 4.786 0 40 HJAB O=C1CCCN1c1cccc(NC(=S)NCCCc2cccc3ccccc23)c1 225809369 ZYSYUUKJPVZZDY-UHFFFAOYSA-N 403.551 4.886 0 40 HJAB Nc1nnc(/C=C/c2cc(Cl)c(OCc3ccccc3)c(Br)c2)o1 226341769 HNWXRXRDICCEGP-VOTSOKGWSA-N 406.667 4.817 0 40 HJAB CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)CCCc2cn[nH]c2)CO[C@H]1c1cccc(F)c1 257314877 UYXWYPFSWJMHKS-XWGVYQGASA-N 413.537 4.667 0 40 HJAB O=C1/C(=C\c2ccncc2)N=C(c2ccc(F)cc2)N1c1cccc(Br)c1 408848058 WTQCWTIDHMSYFF-XDHOZWIPSA-N 422.257 4.818 0 40 HJAB CCN1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)c2ccccc21 409114745 IKRGMERWZWLEDK-GHXNOFRVSA-N 423.104 4.824 0 40 HJAB Cc1ccc(Nc2nc([C@@H]3CCCN3C(=O)/C=C/c3csc(C)n3)cs2)nc1 585290353 AMYOKCBPRZYDNT-JKNJVXJCSA-N 411.556 4.732 0 40 HJAB CCCCC(=O)N1CCCCN(CC)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21 643561922 DXZQBWKMFWEHOZ-IRLDBZIGSA-N 400.563 4.651 0 40 HJAB CCOC(=O)c1c(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)sc(C)c1C 867443 XGIBBLBMDIFREF-UHFFFAOYSA-N 417.918 4.941 0 40 HJAB CCc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 919657 AMBBCTRLNVODAY-YOEHRIQHSA-N 404.392 4.951 0 40 HJAB COC(=O)Cc1c(C)c2ccc(OCc3ccc4ccccc4c3)c(C)c2oc1=O 2094058 IHUSVEKHRDFTDG-UHFFFAOYSA-N 402.446 4.858 0 40 HJAB biogenic COc1cc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)ccc1OCC(C)C 2110815 PTYSUWXYPSLCGS-FIUWIIBXSA-N 420.553 4.757 0 40 HJAB biogenic Cc1ccc(NC2=Nc3nc(C)cc(=O)n3[C@H](c3ccc(C(C)C)cc3)N2)c(C)c1 2199829 YGHNDBYICMSUQY-JOCHJYFZSA-N 401.514 4.542 0 40 HJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1Br 3344476 ZRCSVOWJLRHWDZ-UHFFFAOYSA-N 418.209 4.745 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(C)n2CCc2ccccc2)c(Cl)c1 4165673 WNXCUZCXULOMEB-UHFFFAOYSA-N 400.935 4.522 0 40 HJAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 4217348 OZZAYJQNMKMUSD-DMISRAGPSA-N 416.558 4.931 0 40 HJAB biogenic,in-man CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2Cl)CC1 4412883 SLVKSZTXNKRSCC-UHFFFAOYSA-N 420.340 4.694 0 40 HJAB Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)n1C 4947920 LZHRZSXXNMAKHU-LLVKDONJSA-N 410.421 4.522 0 40 HJAB CCN(CC)CCC(=O)N1c2ccccc2CCc2ccc(NC(=O)C(C)C)cc21 5197974 RNSURYWNYYLITI-UHFFFAOYSA-N 407.558 4.776 0 40 HJAB Cc1c(CC(=O)NCc2ccccn2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 5351519 GKPUFEOVIXMQER-UHFFFAOYSA-N 418.493 4.707 0 40 HJAB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 5842338 XJVZLKXEFKLCOL-UHFFFAOYSA-N 410.326 4.715 0 40 HJAB COc1ccccc1-n1cnnc1SCc1ccc(C(=O)Nc2ccccc2)cc1 6082016 AMPMLDRSWQVOEU-UHFFFAOYSA-N 416.506 4.821 0 40 HJAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 6263885 CTZMYESZGKPBAZ-UHFFFAOYSA-N 410.326 4.859 0 40 HJAB O=C(N[C@@H]1CCCc2ccccc21)c1cn(Cc2ccccc2)nc1-c1cccnc1 6553479 JMDCQFIROLBLDN-XMMPIXPASA-N 408.505 4.801 0 40 HJAB O=C(CSc1nc2ccccc2s1)N1CCC(c2nc3ccccc3o2)CC1 7164151 RHFYTWIVSVUAFW-UHFFFAOYSA-N 409.536 4.936 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 7653534 HFNDMSGMFFGAKA-UHFFFAOYSA-N 420.962 4.638 0 40 HJAB CC[C@H](C)c1ccc([C@@H](NCC(=O)Nc2cccc(S(C)(=O)=O)c2)C(C)C)cc1 7719279 HZBVQZPKTZWPLD-SBUREZEXSA-N 416.587 4.529 0 40 HJAB O=C(N[C@@H]1CCOc2ccccc21)c1cn(Cc2ccccc2)nc1-c1cccs1 8029171 SKYKONWWTIGBNC-HXUWFJFHSA-N 415.518 4.914 0 40 HJAB CN(C(=O)CSc1nnc(Nc2ccccc2)s1)[C@@H]1CCCc2ccccc21 8192396 DIOOXTCDIJGIEB-GOSISDBHSA-N 410.568 4.910 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 8433496 GBRKKYCSVJZQSV-UHFFFAOYSA-N 416.905 4.556 0 40 HJAB O=C(CSc1nccn1Cc1ccccc1)N[C@H](c1ccccc1)c1cccs1 9417636 ZLVVAZDDZSOBPD-JOCHJYFZSA-N 419.575 4.991 0 40 HJAB Cc1cc(-c2cnn(CCNC(=O)c3csc(C)c3C)c2-c2cccs2)on1 12258678 KVJJWRKPICTYID-UHFFFAOYSA-N 412.540 4.683 0 40 HJAB CC(C)(C)c1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 12293564 JDWBHSUFEBWAMY-YADHBBJMSA-N 413.533 4.507 0 40 HJAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc(N2CCCC2)cc1 12620278 HJWSYCDYUMJCRU-UHFFFAOYSA-N 402.494 4.883 0 40 HJAB Cc1ccc2c(C)c(CCC(=O)N[C@@H]3CCSc4ccc(F)cc43)c(=O)oc2c1 12857918 TTXVCNKPULBJCM-LJQANCHMSA-N 411.498 4.835 0 40 HJAB CCOC(=O)c1ccc(NC(=O)CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)cc1 12983174 HIZLLSAJLWWDHR-XMMPIXPASA-N 420.484 4.662 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCc1nnc2sc(-c3cccc(F)c3)nn12 13689252 MBWGJZZAAZJVRY-UHFFFAOYSA-N 418.501 4.580 0 40 HJAB CNC(=O)c1ccc(CN(C)[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 14123312 UOOCFSGKJUWBLX-XMMPIXPASA-N 411.505 4.584 0 40 HJAB O=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1ccc2oc3ccccc3c2c1 14128685 QTTYGTTZLNWFGB-UHFFFAOYSA-N 403.829 4.532 0 40 HJAB COc1ccccc1[C@@H]1CC(=O)c2nnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C1 14164768 WRHMUTWAVWOZKQ-HNNXBMFYSA-N 418.884 4.674 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)cc1Cl 15018981 ZEUUNQHMSIXFOO-UHFFFAOYSA-N 412.902 4.921 0 40 HJAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc(OC(C)C)c1 16284472 MZLYCXJYPZTBSD-UHFFFAOYSA-N 404.445 4.908 0 40 HJAB Cc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 17043592 FSJROKCBJBSLCE-UHFFFAOYSA-N 422.531 4.684 0 40 HJAB Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1C 17090375 MHNKTAVLINYRGJ-UHFFFAOYSA-N 415.518 4.916 0 40 HJAB COc1cccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CCN(C4CCCCC4)C[C@H]23)c1 19566317 JYEJMLFHOZQTOV-TWJOJJKGSA-N 418.581 4.958 0 40 HJAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2)nc(C2CC2)n1 19592121 IUPHDVTUUYKKKC-OAQYLSRUSA-N 411.509 4.591 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1OCC 20456325 ZVPQSGJNTGLHDX-HZPDHXFCSA-N 403.544 4.851 0 40 HJAB CCc1ccc(N2C[C@@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCCC3)cc1 22408549 VDCFQHKTYQYNKH-HSZRJFAPSA-N 401.477 4.501 0 40 HJAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)ccc1F 23074765 BJFZPOJBFYWMHK-INIZCTEOSA-N 424.497 4.526 0 40 HJAB CCc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)cc1 23119233 KKAGKKXRNSNJOF-UHFFFAOYSA-N 402.523 4.998 0 40 HJAB COc1ccc2cc(CN(C)Cn3nc(-c4ccoc4C)n(C)c3=S)ccc2c1 24452589 PGNHBMUJZHCLKX-UHFFFAOYSA-N 408.527 4.771 0 40 HJAB O=C(Oc1ccccc1Cc1ccccc1)C1CCN(C(=O)c2cccs2)CC1 25721733 BFFAFSIBCBEULT-UHFFFAOYSA-N 405.519 4.797 0 40 HJAB O=C(CN1C(=O)CSc2ccccc21)Oc1cc(Cl)c(Cl)cc1Cl 25722481 QUUGCGSVUBSSSU-UHFFFAOYSA-N 402.686 4.691 0 40 HJAB Cc1ccc2c(C)c(CCC(=O)Nc3ccccc3OC(F)(F)F)c(=O)oc2c1 32837430 WLNDVDZZDXSUQP-UHFFFAOYSA-N 405.372 4.880 0 40 HJAB C[C@@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1CN1CCOC1=S 37198783 CRCPGUJCIPLCNA-RHSMWYFYSA-N 411.958 4.904 0 40 HJAB CC(=O)N(c1nc(COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cs1)c1ccc(F)cc1F 40040851 DJHCDSOCUVNIEG-RRFJBIMHSA-N 420.481 4.975 0 40 HJAB CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)CCOc2cccc(C)c2C)cc1 44625969 RTECAMCESRUNCC-IBGZPJMESA-N 411.546 4.823 0 40 HJAB COc1cccc(NC(=O)CSc2ncccc2-c2nc(-c3cccs3)no2)c1 49406951 UMTLFLRDEYTDBA-UHFFFAOYSA-N 424.507 4.600 0 40 HJAB COc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)NCCc5ccccc5OC)(C4)C2)C3)cc1 58114320 QMSAWVDGAMDNCW-YDXVBCDDSA-N 419.565 4.901 0 40 HJAB O=C(CCS(=O)(=O)C1CCCC1)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 58329649 ZRKGRURVRSGTNK-GOSISDBHSA-N 417.493 4.507 0 40 HJAB CCCN(Cc1cc(=O)n2c(C)csc2n1)[C@H](C)c1ccccc1Br 59121780 GUCXDNHPDUMHNL-CQSZACIVSA-N 420.376 4.800 0 40 HJAB C[C@H](Sc1nnc(C(C)(C)C)o1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 59255966 NOUUAUQIMCSFGV-VIFPVBQESA-N 424.498 4.888 0 40 HJAB CC(=O)c1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc23)cc1 64819992 MMZAISXPLKAFMN-UHFFFAOYSA-N 409.486 4.509 0 40 HJAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C 84129118 DFITZZQYGYPESO-KRWDZBQOSA-N 403.910 4.778 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)n2)cc1 95482253 RFVQESKJBMJANU-KRWDZBQOSA-N 407.514 4.768 0 40 HJAB CCc1noc(-c2ccc(NC(=O)[C@H](CC)Oc3ccccc3F)c(Cl)c2)n1 97108772 HNNVQMCSVJDNRR-INIZCTEOSA-N 403.841 4.888 0 40 HJAB COCc1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1F 108149050 WOFYHOGQPXSWAM-TYPHKJRUSA-N 406.542 4.630 0 40 HJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219382736 IVAOXDPQFDEQTI-GOSISDBHSA-N 413.905 4.823 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 222623972 UXDFGWRXMIPJIZ-GCJKJVERSA-N 414.977 4.647 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(OC)c3)N21 222707582 BPYKJIXIZMHSQF-URZJWIJPSA-N 404.539 4.860 0 40 HJAB CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1Cl 223046372 DAUSUOBUIKYPKP-DEOSSOPVSA-N 420.940 4.616 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@H](C)c1ccc(F)cc1 223370112 HRWHHHTTZBTQRD-QAIWHXNASA-N 408.498 4.844 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 223377465 VGVOSEWJQCMSOJ-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 223403094 UYAVTTJRDZCZPC-HXUWFJFHSA-N 418.940 4.744 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 223550503 WSFNLGBNGSZFGN-KRWDZBQOSA-N 418.990 4.684 0 40 HJAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2C)c1 224114144 VLJRKVKCUWIKMS-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB Cc1ccccc1CN(C(=O)CCc1ccccc1Cl)[C@@H](C)C(=O)NCC(C)C 224138112 PBUVJOWOYGTBFI-IBGZPJMESA-N 414.977 4.771 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 224739139 SWAPQIDEWLETGE-NRFANRHFSA-N 418.940 4.601 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224848126 CBVFFEJSRPUHIN-FQEVSTJZSA-N 424.560 4.851 0 40 HJAB CCOC(=O)c1ccc(OCc2ccc(Br)cc2)c(Br)c1 226328854 UNINOAVVRGPLBQ-UHFFFAOYSA-N 414.093 4.967 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)[nH]n1 257227540 FPUPXUPLKNWNLZ-MRXNPFEDSA-N 412.921 4.785 0 40 HJAB CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C2CC2)CC1 257252340 JUKXGBNLTBOVOA-UHFFFAOYSA-N 410.583 4.501 0 40 HJAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1 408625918 GBWODUPCMHWBSK-OAHLLOKOSA-N 401.963 4.775 0 40 HJAB Cc1ccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)cc2)cc1 409108730 XNADMZXRROSASQ-OEAKJJBVSA-N 416.452 4.806 0 40 HJAB CC(C)(C)OC(=O)N1CCC(Oc2cccc(-c3noc(C(F)(F)F)n3)c2)CC1 585266173 UQBRAAFFGHSRSE-UHFFFAOYSA-N 413.396 4.534 0 40 HJAB COc1cc(OC)cc(C(=O)c2ccc(C(=O)Nc3ccc4ncccc4c3)cc2)c1 718335 LDAFOPLSIOLGOB-UHFFFAOYSA-N 412.445 4.735 0 40 HJAB biogenic,in-vitro COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc(C(C)C)cc1 812096 IMWDAKQQSWKGDS-UHFFFAOYSA-N 408.454 4.681 0 40 HJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)o1 869049 DFAZKVZGJXVDHT-UHFFFAOYSA-N 408.508 4.899 0 40 HJAB Cc1ccc(Cl)c(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1Cl 2646322 SOGRIIWOVKRFLR-UHFFFAOYSA-N 413.610 4.774 0 40 HJAB O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 3219414 HOXXYILGRLUDPC-UHFFFAOYSA-N 422.186 4.573 0 40 HJAB O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccc(Cl)cc1)OCc1ccccc1 3266021 GVWPNEYBJPCHOH-QFIPXVFZSA-N 423.896 4.921 0 40 HJAB COC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 3658695 UBYMGLYLFMEOSF-AWEZNQCLSA-N 407.470 4.880 0 40 HJAB CCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SCc1cccc(C)c1 4087481 FTEQICQTQKKTTD-UHFFFAOYSA-N 424.614 4.731 0 40 HJAB CCCc1cc2c(cc1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1)OCO2 4744132 KBJVYZQFWUVJJB-UHFFFAOYSA-N 415.486 4.816 0 40 HJAB Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccc(Cl)cc2)cc1 4816452 RXLWUKYMSHYMSV-UHFFFAOYSA-N 403.873 4.603 0 40 HJAB COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccc(C)cc3)oc12 4937802 ZWPCYFJWQSRWDW-VHXPQNKSSA-N 405.475 4.815 0 40 HJAB Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1cccs1)N1NC=NC1=N2 5055148 VTYVIMHYEBTTCM-LEWJYISDSA-N 402.454 4.691 0 40 HJAB CCOc1ccc2nc(N(CCN(C)C)C(=O)c3ccc4c(c3)CCCC4)sc2c1 5115169 QBIKZNDSCMBWBE-UHFFFAOYSA-N 423.582 4.782 0 40 HJAB Clc1ccc2c(c1)C1=C([C@H](c3ccccc3)O2)[C@H](c2cccnc2)N2NC=NC2=N1 5516451 BCWVHXCPRQTUQB-VXKWHMMOSA-N 413.868 4.539 0 40 HJAB COc1ccc(NC(=O)CSc2ncnc3c2sc2nc(C)cc(C)c23)cc1 5744241 HZDHRMAJGOWETC-UHFFFAOYSA-N 410.524 4.596 0 40 HJAB Cc1ccc(-c2csc3ncnc(Sc4nnc5nc(C)cc(C)n45)c23)cc1 5937550 AJKZAVSIURKQCZ-UHFFFAOYSA-N 404.524 4.872 0 40 HJAB CCc1ccc([C@H](C)NC(=O)COC(=O)CCCc2nc3ccccc3s2)cc1 6140828 SKXCONALNSYHNB-INIZCTEOSA-N 410.539 4.602 0 40 HJAB CC(=O)Nc1ccc2nc(NC(=O)COc3cc(C)c(Cl)c(C)c3)sc2c1 6424889 YRSGBUARGMFFSO-UHFFFAOYSA-N 403.891 4.542 0 40 HJAB O=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)Nc2ccccc2)CC1 6434052 NCNOWLAYFFFJOM-UHFFFAOYSA-N 406.313 4.554 0 40 HJAB Cc1ccc(N2C(=O)CS[C@]23C(=O)N(Cc2ccc(F)cc2)c2ccccc23)cc1 6997155 WZPMCCOSAGOXKC-XMMPIXPASA-N 418.493 4.614 0 40 HJAB CCn1cc2nc(SCc3ccc(C)cc3)n(Cc3ccc(C)cc3)c(=O)c2n1 7006366 HQHRHIVOGIPHHM-UHFFFAOYSA-N 404.539 4.570 0 40 HJAB O=C([C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1)N1CCCC1 7112403 AQGCWYXTPMHCLQ-HXUWFJFHSA-N 422.529 4.875 0 40 HJAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N1CC=C(c2ccccc2)CC1 7229856 JDMLKWAFIKCHTR-UHFFFAOYSA-N 416.550 4.553 0 40 HJAB Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)n2)cc1 7831921 WHTXYUBZBVLBRA-INIZCTEOSA-N 406.555 4.628 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2Cn2nc(C)n(Cc3ccccc3)c2=S)c1 8151146 VRLGIBHFUBATJW-OAQYLSRUSA-N 424.570 4.583 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccc(N2CCCC2=O)c1 8313371 SUEHRYJXZGCKKN-UHFFFAOYSA-N 403.916 4.904 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(C(=O)c2ccccc2)cc1 8346245 GFMSXHRCWASZKS-UHFFFAOYSA-N 423.516 4.992 0 40 HJAB Cc1ccccc1CN1CCC(C(=O)NCCCc2ccc(OC(C)C)cc2)CC1 9062567 RHPWVOIZBLETKN-UHFFFAOYSA-N 408.586 4.743 0 40 HJAB COc1ccc(-c2csc(NC(=O)Cc3c(C)nn(CC(C)C)c3C)n2)cc1F 9803131 MQCWOTRSOYQQBQ-UHFFFAOYSA-N 416.522 4.608 0 40 HJAB COc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1OC 10511151 JUNFDQFTZZFMLZ-UHFFFAOYSA-N 406.442 4.542 0 40 HJAB COc1cc(Cl)c(NC(=O)c2cccc(OCc3cscn3)c2)cc1OC 11069376 SVBOORUOCKOPQX-UHFFFAOYSA-N 404.875 4.645 0 40 HJAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 11361328 LQGIQEBCQKBCOT-UHFFFAOYSA-N 404.451 4.611 0 40 HJAB Cc1cc(OCC(=O)Nc2nonc2-c2ccc(OCC(C)C)cc2)ccc1Cl 11915538 IHWAWKZFXZIOGS-UHFFFAOYSA-N 415.877 4.751 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)c(Cl)c1Cl 12420123 XNDXCAINRDSMQQ-UHFFFAOYSA-N 411.104 4.565 0 40 HJAB COc1ccc(Nc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 12557377 AZTCGFAEWBYNBK-UHFFFAOYSA-N 408.454 4.717 0 40 HJAB Cn1c([C@@H](C#N)C(=O)COc2cc(Cl)c(Cl)cc2Cl)nc2ccccc21 12575672 NIQSACSCFJOQPP-JTQLQIEISA-N 408.672 4.789 0 40 HJAB CCCCn1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)cn1 12846021 ONLSPKPKYDHVAD-UHFFFAOYSA-N 424.455 4.891 0 40 HJAB CCOc1ccc(CN(CC)Cc2cc(=O)oc3cc4c(cc23)CCC4)cc1OC 12906736 CIQQPCLEUAUBAH-UHFFFAOYSA-N 407.510 4.711 0 40 HJAB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)c1ccc2c(c1)OCCCO2 12983904 JBBXFPFMPGTIPZ-UHFFFAOYSA-N 420.412 4.785 0 40 HJAB COc1ccc(C(=O)NCc2ccc(-c3nc(C)ncc3-c3ccccn3)cc2)s1 13228159 PWZXBROWYDRVFH-UHFFFAOYSA-N 416.506 4.514 0 40 HJAB C[C@@H](NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1ccc(F)cc1 14142350 ICAVFXWIOMSTMK-RDTXWAMCSA-N 413.543 4.977 0 40 HJAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Oc1ccc(Br)cc1Cl 14849316 FIJSQSNICKILBP-GFCCVEGCSA-N 408.679 4.599 0 40 HJAB O=C1c2ccccc2CC[C@@H]1[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 15081783 KGRYFFCIRSPHFM-OFVILXPXSA-N 417.892 4.520 0 40 HJAB COc1ccc(NC(=O)c2sc3c(c2C)[C@H](c2cccc(OC)c2)CC(=O)N3)cc1 15107032 HVONEKFKCGBZIL-SFHVURJKSA-N 422.506 4.800 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccccc2)cc1C 16956467 DNDFFZITZONMIH-UHFFFAOYSA-N 418.522 4.660 0 40 HJAB Cc1noc(C)c1CCC(=O)N1CC[C@H](c2nc(C3CCC3)n3c(C)csc23)C1 19240485 SOIYKHKSMWZCCS-KRWDZBQOSA-N 412.559 4.525 0 40 HJAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)c4ccccc4F)CC3)cc2N1 19520825 XVFARWLCJXAUKC-RDTXWAMCSA-N 424.442 4.740 0 40 HJAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCCC2)o1 21659802 AEJFEBYBHIQQJV-JOCHJYFZSA-N 419.525 4.689 0 40 HJAB CC[C@H](NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccccc1 30857815 UMJVKJJWWLUJFS-QFIPXVFZSA-N 422.550 4.534 0 40 HJAB CC(C)(C)SCCNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38852215 DPTLJIPLVLCEOK-UHFFFAOYSA-N 403.419 4.853 0 40 HJAB Cc1c(NC(=O)N[C@@H](c2cccs2)C2CCCC2)c(=O)n(-c2ccccc2)n1C 40094837 QSUOZJLCAMTJKG-HXUWFJFHSA-N 410.543 4.599 0 40 HJAB Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(Br)cc3F)cc2)n1 40128479 OKTVXTVBSFAQJA-UHFFFAOYSA-N 402.267 4.572 0 40 HJAB Cc1cccc(OCCNC(=O)c2cc(-c3ccc(Br)cc3)on2)c1C 41156694 JCMUBCVVWBQWKX-UHFFFAOYSA-N 415.287 4.530 0 40 HJAB CC(=O)c1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc23)cc1 49004725 OGDFZKVBUGUQSC-UHFFFAOYSA-N 402.498 4.901 0 40 HJAB CCCc1nc2ccccc2c(NC(=O)CN2CCN(c3ccccc3)CC2)c1CC 57211616 UOLZNQRAXXBWHW-UHFFFAOYSA-N 416.569 4.510 0 40 HJAB Cc1cccc(NC(=O)c2c(NC(=O)CNCc3ccccc3)sc3c2CCC3)c1 57311678 VPXIGMBLMDLDBO-UHFFFAOYSA-N 419.550 4.526 0 40 HJAB CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCC2)cc1Cl 58379587 APSIEDJEPMCQDZ-OAQYLSRUSA-N 413.949 4.598 0 40 HJAB CCc1ccc(CN(Cc2cccnc2)C(=O)NC[C@@H](c2cccs2)N(C)C)cc1 62580076 OENWVVSFEUJKBO-QFIPXVFZSA-N 422.598 4.720 0 40 HJAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCNC(=O)OC(C)(C)C 72214902 VOEWAFJLNKRDIM-UHFFFAOYSA-N 421.538 4.719 0 40 HJAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 77200129 HRQSPBRBXCQAJH-QZTJIDSGSA-N 406.404 4.995 0 40 HJAB O=c1cc(CN2CC=C(c3ccc(O)cc3)CC2)c2ccc(Br)cc2o1 84393342 ZPWYIAQQGVVBMF-UHFFFAOYSA-N 412.283 4.550 0 40 HJAB COc1cccc([C@@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(O)=C32)c1OC 102740700 LKOILKYLAUZILG-VOJFVSQTSA-N 424.482 4.777 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 223319924 ANYXUFRAUVYDJI-HXUWFJFHSA-N 421.368 4.706 0 40 HJAB CCC[C@@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 223423651 QJCPAYHJXUPNAR-QGZVFWFLSA-N 418.559 4.962 0 40 HJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 223516966 WBFPKLXTUUKYRQ-HXUWFJFHSA-N 412.599 4.545 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 223601504 HBVALXLBHVTIMH-JOCHJYFZSA-N 414.977 4.996 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 223818127 WKJKLCIPOJLNOM-QHCPKHFHSA-N 412.549 4.709 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc12 223884462 PIVXVHZGWWVFOG-IBGZPJMESA-N 420.528 4.855 0 40 HJAB Cc1cc(C(=O)N[C@@H](C)c2ccccc2C)ccc1NS(=O)(=O)c1ccccc1 224000092 ILMHSHSFAHCBQM-SFHVURJKSA-N 408.523 4.595 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)cc1 224140010 BBNUEADVKWSESU-IBGZPJMESA-N 422.550 4.620 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 224175034 QZVXNAPTCTWRNV-NRFANRHFSA-N 400.950 4.525 0 40 HJAB CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 224810594 YYRSGQADVXTBDW-UHFFFAOYSA-N 423.840 4.591 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 225034839 FHWFOSNOEXIUBW-XMMPIXPASA-N 406.570 4.794 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225095019 PUMMAJPKOYOGIB-QHCPKHFHSA-N 410.558 4.522 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 225579321 LMKDBDBMJGLUNE-ZJSXRUAMSA-N 408.586 4.876 0 40 HJAB O=C(Nc1ccc(OC2CSC2)cc1)C1(c2ccccc2)Cc2ccccc2C1 225932010 JUFSDQBBWTVZJE-UHFFFAOYSA-N 401.531 4.856 0 40 HJAB Cc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 260720738 TYLILHJQDQVHNC-SFHVURJKSA-N 423.630 4.820 0 40 HJAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4)ccc3O)oc2c1 408627568 LTINXTDLWSJNTK-UHFFFAOYSA-N 403.463 4.636 0 40 HJAB Cc1ccc(-n2ncc3c(N)c4c(nc32)C[C@H](c2ccc(F)cc2)CC4=O)cc1C 618256796 LZAAMWOKHXBJNT-INIZCTEOSA-N 400.457 4.671 0 40 HJAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 643570878 VJYJQXWUXKCPFB-UHFFFAOYSA-N 424.560 4.785 0 40 HJAB COc1cccc(CN2CCCC[C@H]2C2CCN(C(=O)OC3CCCC3)CC2)c1 2056225103 CFLFZYAHHNNZDZ-QHCPKHFHSA-N 400.563 4.841 0 40 HJAB Cc1cc(O[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)ccc1Cl 668413 SQZNOIZOEFUARO-CYBMUJFWSA-N 420.962 4.874 0 40 HJAB Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1C(=O)Nc1ccccc1 706689 LFSMNMCMMHQRPV-UHFFFAOYSA-N 401.491 4.979 0 40 HJAB O=C(Nc1cc2c(-c3ccccc3)nn(-c3ccccc3)c2oc1=O)c1ccccc1 1387883 QONNXRLUCIBBIR-UHFFFAOYSA-N 407.429 4.898 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccccc4)cnn23)cc1 2232185 HAZCNDZQUXKHNZ-UHFFFAOYSA-N 416.506 4.638 0 40 HJAB CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1ccc(Cl)c(Cl)c1 2256675 NRKHMAOSNFNSHG-HIFRSBDPSA-N 413.326 4.595 0 40 HJAB COc1ccc(C(=O)COC(=O)CSc2cc(C)c(Br)cc2C)cc1 3233496 YZMBFYTZHKLVSC-UHFFFAOYSA-N 423.328 4.593 0 40 HJAB O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1c[nH]c2ccccc12 3298224 GLTPROMIHVJKRD-UHFFFAOYSA-N 410.808 4.858 0 40 HJAB O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc(Cl)cc3)ccc(=O)n1C2 4237383 FJTDGXXSHHKAIZ-QFBILLFUSA-N 410.945 4.695 0 40 HJAB biogenic,in-vitro COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2 4727435 KTNRFPKZAPBGNY-UHFFFAOYSA-N 416.477 4.739 0 40 HJAB Cc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc3ccccc3c2)cc1 4854102 GPWPVINVGCETOZ-XMMPIXPASA-N 402.519 4.744 0 40 HJAB Cc1ccc(N2C[C@@H](NC(=O)N(Cc3ccccc3)Cc3ccccc3)CC2=O)cc1 5123306 HXDVDOQWVRHUOI-QHCPKHFHSA-N 413.521 4.512 0 40 HJAB O=C(C[C@@H](NCCC1=CCCCC1)C(=O)O)Nc1ccc(Nc2ccccc2)cc1 5257989 ROBCOSGWWOTJSX-JOCHJYFZSA-N 407.514 4.692 0 40 HJAB CN(C)c1ccc(Cc2ccc(N(C)C)cc2Br)c(Br)c1 5319218 VXGLUOGGGJZILA-UHFFFAOYSA-N 412.169 4.934 0 40 HJAB Cc1nc2c(-c3ccccc3)c(C)nn2c(NCCCN(C)C)c1Cc1ccccc1 5554694 SWASIPBXMRVTJK-UHFFFAOYSA-N 413.569 4.968 0 40 HJAB O=C(Nc1ccccc1F)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 5773395 LRVBMEGKSNCXOG-HSZRJFAPSA-N 406.482 4.852 0 40 HJAB COc1ccc(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)cc1Br 6276109 ZOECBCSVKVWNDP-UHFFFAOYSA-N 413.724 4.546 0 40 HJAB CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccccc1OC 6554655 MSNAJPITWAXSRH-XRODADMRSA-N 409.526 4.602 0 40 HJAB biogenic CC(C)Cn1c(SCC(=O)c2ccccc2F)nc2ccc(Cl)cc2c1=O 6598389 DVXJQGNJATYKSI-UHFFFAOYSA-N 404.894 4.820 0 40 HJAB COc1ccc(-c2cc(N[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)ccc2OC)cc1 7363970 IYLUBQCDRPNHJX-OAHLLOKOSA-N 420.465 4.539 0 40 HJAB O=C(COC(=O)/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1F 7778461 INDZWUUXZRPCDX-FPYGCLRLSA-N 401.743 4.693 0 40 HJAB COC(=O)c1ccccc1Oc1nc(-c2cccnc2)nc2sc3c(c12)CCC3 8119859 PNCGYWMOACFFHZ-UHFFFAOYSA-N 403.463 4.821 0 40 HJAB Cc1nn(-c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)c(C)c1Br 8592963 KYFYKZHAVHCZRO-UHFFFAOYSA-N 415.188 4.867 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cc2ccccc2o1 8784777 PQVIMNDKBWGNJF-UHFFFAOYSA-N 420.494 4.645 0 40 HJAB Cc1nc(-c2ccc3c(c2O)OCCCO3)c(-c2csc(C)n2)c(C(F)(F)F)n1 8873452 FQBIRAUPLWKVKD-UHFFFAOYSA-N 423.416 4.770 0 40 HJAB Cc1nn(C)c(Cl)c1C(=O)N[C@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1 8873973 MWOIBUVRKWVBJY-FQEVSTJZSA-N 424.932 4.615 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)c1 9134882 KGTBAMUHOGXTPY-UHFFFAOYSA-N 404.422 4.623 0 40 HJAB O=C(CN(Cc1ccco1)C(=O)c1cccc(F)c1)Nc1ccccc1C(F)(F)F 9545140 RZKLWBNAXCLQAG-UHFFFAOYSA-N 420.362 4.719 0 40 HJAB O=C(NCc1ccc2c(c1)OCO2)c1csc(Nc2ccc(Cl)c(Cl)c2)n1 9763508 MIMDIPDWVHFDLC-UHFFFAOYSA-N 422.293 4.852 0 40 HJAB CCOc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N3CCCC3)n2)cc1 10213657 LRYIHSMFEFFYLE-UHFFFAOYSA-N 404.518 4.975 0 40 HJAB CCCOc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 11451148 KMYRCIIDXTVQLD-UHFFFAOYSA-N 407.495 4.736 0 40 HJAB COc1cc(OC)c(NC(=O)c2cccc(OCc3cscn3)c2)cc1Cl 11604342 ZBUXHGYTTGTIDE-UHFFFAOYSA-N 404.875 4.645 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H](c3cc4c(C)c(OC)ccc4cn3)C2)cc1 12187869 AWTAYDLKQKCNGG-HXUWFJFHSA-N 404.510 4.509 0 40 HJAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)c3oc(C(C)(C)C)cc3C)C2)on1 12251936 JPSSOOFOEPFKKT-AWEZNQCLSA-N 414.531 4.720 0 40 HJAB COc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(C)c3C)c3ccccn23)cc1 12342016 AGDZBRDKXXBWCJ-UHFFFAOYSA-N 413.477 4.630 0 40 HJAB Cc1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)c2nc3n(c2n1)CCCCC3 12525257 FMJJLWFBHWZXCR-INIZCTEOSA-N 406.555 4.997 0 40 HJAB Cc1nc(C2CC2)nc2sc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)c(C)c12 12749635 NWYNCVVOVJGUIF-UHFFFAOYSA-N 406.515 4.763 0 40 HJAB CC(C)c1noc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)n1 12779245 JDMILCMMELZQBM-UHFFFAOYSA-N 412.906 4.781 0 40 HJAB COc1ccc(-n2c(SCc3nc4ccccc4c(=O)[nH]3)nc3ccccc32)cc1 12970523 BGWKBXPXNASJDR-UHFFFAOYSA-N 414.490 4.563 0 40 HJAB COc1ccccc1-c1nn(CN(Cc2ccccc2)CC(F)(F)F)c(=S)n1C 14198044 PZCGVQUUBGDSRE-UHFFFAOYSA-N 422.476 4.649 0 40 HJAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)Cc2cccs2)cc1 14200519 GYPVKHZJQUSQPN-UHFFFAOYSA-N 417.534 4.941 0 40 HJAB Cc1cc(NC(=O)[C@@H](C)Sc2ncnc3scc(-c4ccc(F)cc4)c23)on1 14568200 QTXHRILORXOMRB-LLVKDONJSA-N 414.487 4.913 0 40 HJAB COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c(F)c1F 16194434 GRMQPJPWUSDOLI-UHFFFAOYSA-N 417.318 4.707 0 40 HJAB CC(C)n1c(CN2CCC[C@H](c3ccc(-c4cncnc4)cn3)C2)nc2ccccc21 19688684 UYWHNPUHUDSAON-FQEVSTJZSA-N 412.541 4.849 0 40 HJAB Cn1cc(CN2CCO[C@H](c3nccnc3-c3cccc(Cl)c3)C2)c2ccccc21 19693275 RINMIGGKPNYVGB-QFIPXVFZSA-N 418.928 4.862 0 40 HJAB COc1ccccc1CCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 20460182 NBZRWYMUFUQOKM-UHFFFAOYSA-N 400.522 4.621 0 40 HJAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N(C)c2ccccc2)c1 20890310 YIXJZSZKZUVBLD-UHFFFAOYSA-N 413.477 4.833 0 40 HJAB CNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c1 21357939 PCDAFUPQDIIJDA-UHFFFAOYSA-N 411.461 4.522 0 40 HJAB C[C@@H](NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 24830058 WKFBDPPDTIJBJV-WZONZLPQSA-N 416.521 4.625 0 40 HJAB CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nccn2-c2cccc(C)c2C)cc1 26047407 GLNKFXYXIZJCBT-KRWDZBQOSA-N 407.539 4.661 0 40 HJAB O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc2c(c1)OCO2 32127765 LUNLFTZESXWLLA-UHFFFAOYSA-N 403.674 4.502 0 40 HJAB CCCC[C@@H](CC)CNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 32801773 PWBSLOFJLZMGIS-CQSZACIVSA-N 420.907 4.802 0 40 HJAB Cc1c(-c2nsc(Nc3ccc(Cl)cc3)n2)nnn1-c1ccc(F)cc1F 33302146 FULXBOZBFCSOKK-UHFFFAOYSA-N 404.833 4.769 0 40 HJAB O=C(NCc1ccccc1)N(CCc1nc2ccccc2[nH]1)Cc1ccc(F)cc1 35314220 AKBKPMHNHABVBA-UHFFFAOYSA-N 402.473 4.657 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1[nH]c2ccccc2c1Cl 36393872 AJUFOEHOUCNUMC-NSHDSACASA-N 421.280 4.976 0 40 HJAB COC(=O)c1cc(-c2ccccc2)nc2c1c(=O)[nH]c(=S)n2[C@@H](C)c1ccccc1 36617235 FKFLQVHEDVDNLZ-AWEZNQCLSA-N 417.490 4.517 0 40 HJAB Cc1cccc(OCCNC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1 40151614 ADVFDJREFMUSSE-UHFFFAOYSA-N 413.905 4.758 0 40 HJAB COc1ccc(NCC(=O)Nc2ccc(Br)cc2)c(C(F)(F)F)c1 40155666 SLGQNRIRJNJAKL-UHFFFAOYSA-N 403.198 4.527 0 40 HJAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C1CC1)[C@@H](C)c1ccc(Cl)cc1 40155733 SHUCLUKNTYWAJZ-HOTGVXAUSA-N 411.933 4.629 0 40 HJAB CCCCNCc1cc(Br)ccc1OCC(=O)Nc1ccc(C)cc1 40739954 VSHPPJHUVIPPDY-UHFFFAOYSA-N 405.336 4.665 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2ccccc2-c2nc(-c3ccc(C)nc3)no2)cc1 44889696 KRCYNNOFGQAFOP-GXDHUFHOSA-N 412.449 4.768 0 40 HJAB O=C(O)c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc(C(F)(F)F)c1 57769699 JLJUAUCFCXITJL-UHFFFAOYSA-N 420.217 4.573 0 40 HJAB Cn1c(-c2cccc(NC(=O)CSCC(=O)c3ccccc3)c2)nc2ccccc21 58173273 RLVMAASTEAOZPG-UHFFFAOYSA-N 415.518 4.795 0 40 HJAB Cc1ncc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)s1 58417248 FPMJKXPYYSNVAF-UHFFFAOYSA-N 406.389 4.714 0 40 HJAB Cc1c(C)c(C)c(S(=O)(=O)Cc2noc(-c3ccccc3Cl)n2)c(C)c1C 60928818 PGDZWYULVAAQNK-UHFFFAOYSA-N 404.919 4.906 0 40 HJAB O=C1C[C@@H](c2ccccc2)N(C(=O)/C=C/c2ccc(-c3ccccc3)s2)CCN1 65520907 LYRDBTKQHLOZKH-OSJHKOOESA-N 402.519 4.518 0 40 HJAB CCOc1ccc(-c2cc3c(SCC(=O)N4CCCC[C@H]4CC)nccn3n2)cc1 67290329 MSGGOPDGTJGXFJ-GOSISDBHSA-N 424.570 4.678 0 40 HJAB CCN(CC)Cc1nnc2sc(-c3cc(-c4ccccc4)nc4ccccc34)nn12 71260574 MKFYURRMGUKLBE-UHFFFAOYSA-N 414.538 4.910 0 40 HJAB C[C@H]1CN(Cc2nc(-c3ccco3)no2)c2ccccc2N(Cc2ccccc2)C1=O 79024518 IZKKMDWFEITRAE-KRWDZBQOSA-N 414.465 4.519 0 40 HJAB Cc1ccc(Oc2ccc(NC(=O)c3ccc(N4CCNC4=O)c(C)c3)cn2)cc1C 84180793 GCHSVISDVXZEEM-UHFFFAOYSA-N 416.481 4.581 0 40 HJAB CC(C)CNC(=O)C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 96053518 ITIFHBASLHSISH-OAQYLSRUSA-N 424.560 4.889 0 40 HJAB CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3c(OCc4ccccc4)cccc3O2)C1 96341546 UEMQVKDSNCMQIX-XMMPIXPASA-N 409.482 4.610 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)c3c(C)nc(C(C)(C)C)[nH]c3=O)ccc21 97091274 ADPXVBGLIPZGLA-UHFFFAOYSA-N 402.498 4.756 0 40 HJAB Cc1noc(=O)c(C)c1-c1ccc(Cl)c(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1 100493714 TXBSBCNPDJIUMG-DNNBLBMLSA-N 400.906 4.527 0 40 HJAB COc1cccc(C2=CS[C@H](NC(=O)c3sc4ccccc4c3Cl)N2)c1 101094420 XIZVPUNHFVOOCJ-IBGZPJMESA-N 402.928 4.912 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)c1 136694226 QEVSTNOHJKPSRG-USCONSEESA-N 418.537 4.989 0 40 HJAB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)Nc1ccc(Cl)cc1 222637470 KAJUWEUWWWKXFH-UHFFFAOYSA-N 421.682 4.816 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccnc1 222909563 MZVGDEFMUGNCLQ-FGZHOGPDSA-N 405.571 4.513 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224267024 BRSBWASSSMDWQW-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 224281827 QANVQPSLKWGTKB-HSZRJFAPSA-N 410.533 4.543 0 40 HJAB O=C(Nc1ccc(OC2CCCC2)cc1)c1cccc(I)c1 224965842 UYEBYADSKZRYBM-UHFFFAOYSA-N 407.251 4.865 0 40 HJAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NCc2ccccc2Cl)n1 225203840 VZRBWQRLGGLFAZ-UHFFFAOYSA-N 401.898 4.808 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(SCC(C)C)s1 225686599 LKOAZNYRPZVYRP-KRWDZBQOSA-N 405.589 4.961 0 40 HJAB C[C@@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCCCc2ccc(F)cc2)n1 225969885 XJSWXSPTUHCTKR-CQSZACIVSA-N 421.973 4.567 0 40 HJAB COCCC(=O)N[C@]1(C)C[C@H](c2ccc(C(F)(F)F)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257273216 NFSOULHMLHSPPH-BLVIHDEWSA-N 413.480 4.883 0 40 HJAB CC1(C)Oc2ccc(Cl)cc2[C@H]2OCC3(CCN(Cc4cncnc4)CC3)C[C@@H]21 257342632 ZPMQBZHROUZMHE-PZJWPPBQSA-N 413.949 4.661 0 40 HJAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O)Nc1ccccc1F 408932335 VTQHIDXEFRKTLG-UNOMPAQXSA-N 422.437 4.761 0 40 HJAB CCCCOC(=O)CN1C(=O)S/C(=C/c2cn(C(C)C)c3ccccc23)C1=O 409211955 PIYJLBPQZQHPKH-WOJGMQOQSA-N 400.500 4.602 0 40 HJAB Cc1c(NC(=O)c2n[nH]c3ccccc23)ccc(NC(=O)c2n[nH]c3ccccc23)c1C 552608958 JWPCMXKQPLQKNO-UHFFFAOYSA-N 424.464 4.561 0 40 HJAB Oc1cccc(CN[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c1Cl 1662536456 MNKHQJVDYIFRQX-GCJKJVERSA-N 413.876 4.726 0 40 HJAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1772714780 UHGNGHQLEGQIOG-LBPRGKRZSA-N 415.330 4.635 0 40 HJAB CCN(CC)c1ccc2cc(C(=O)Nc3ccc(Br)cc3)c(=O)oc2c1 845982 HAVAXSYKGBTQCC-UHFFFAOYSA-N 415.287 4.654 0 40 HJAB Cc1cc2cc3c(cc2n2c(SCC(=O)c4ccc(Cl)cc4)nnc12)OCO3 877465 LXQSIGSHXYJZAM-UHFFFAOYSA-N 411.870 4.548 0 40 HJAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)C(F)(F)F)c1ccccc1 1365816 VXLTURWUSGFVPR-QGZVFWFLSA-N 410.461 4.834 0 40 HJAB Cc1cc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)ccc1Br 2408901 LSHOLUVWFZSEJR-UHFFFAOYSA-N 412.283 4.709 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)c3ccccc3)n2-c2ccccc2)cc1 2444928 VMHJSOOOBOTUMJ-UHFFFAOYSA-N 401.491 4.918 0 40 HJAB O[C@@H](COc1c(F)c(F)c(F)c(F)c1F)CSc1nc2ccccc2s1 2750475 QHLXKJCOQCQHHL-ZETCQYMHSA-N 407.385 4.524 0 40 HJAB O=C(NC1CCCCC1)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 2756289 HBMRMOMYYBCNLE-UHFFFAOYSA-N 414.431 4.576 0 40 HJAB C[C@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)Nc1ccc(Cl)cn1 3442903 ZGSDCTPETVDIGL-JTQLQIEISA-N 404.948 4.738 0 40 HJAB CCCNC(=S)N(Cc1ccc(Cl)cc1)Cc1cc2cccc(C)c2[nH]c1=O 4216064 IAQAVYJYXJTMKS-UHFFFAOYSA-N 413.974 4.777 0 40 HJAB Cc1cc2oc(=O)c(CC(=O)NCc3ccccn3)c(C)c2c2occ(C(C)(C)C)c12 5349111 HJQOFEFVKJBHJR-UHFFFAOYSA-N 418.493 4.707 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 6023961 PBLPKUVZCCAZBM-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB Cc1csc(N(C(=O)c2ccc(CSc3ncn[nH]3)cc2)c2ccccc2)n1 6590708 DZIAUWUHNSFSHL-UHFFFAOYSA-N 407.524 4.840 0 40 HJAB O=C(Nc1nnc(C2CC2)s1)c1cn(Cc2ccccc2)nc1-c1cccs1 6647571 SIALGBVBDWMNSV-UHFFFAOYSA-N 407.524 4.641 0 40 HJAB COc1ccc(Nc2nc3ccc(Cl)cc3nc2-n2nc(C)cc2C)c(OC)c1 6786348 VSFMPWHUUHNXFD-UHFFFAOYSA-N 409.877 4.847 0 40 HJAB CCOc1ccc(C(C)=O)cc1CSc1ncnc2c1cnn2-c1ccccc1 7976760 UJXRLIVTEMZLBL-UHFFFAOYSA-N 404.495 4.709 0 40 HJAB C[C@@H]1CC(=O)c2c(OCC(=O)NC(c3ccccc3)c3ccccc3)ccc(F)c21 8734399 VQCPISZKMJYPQZ-MRXNPFEDSA-N 403.453 4.800 0 40 HJAB Cc1cccc(OCC(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c1C 8902799 LLCSIECZXQWQCP-UHFFFAOYSA-N 421.478 4.776 0 40 HJAB CCN1C(=O)c2cc(NS(=O)(=O)c3ccc(C)s3)ccc2Oc2ccccc21 8961136 CYPORLBXQDPJJY-UHFFFAOYSA-N 414.508 4.630 0 40 HJAB CCOc1ccc(C(C)=O)cc1COC(=O)c1cccc(NC(=O)c2cccs2)c1 8985267 SQLSRWOULOJBIG-UHFFFAOYSA-N 423.490 4.959 0 40 HJAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(OC(C)C)cc1 10363350 LFEXYDKGLVWJCF-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB CCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c2ccccc21 12413851 QJKATLFQTFJNRF-NDENLUEZSA-N 419.506 4.645 0 40 HJAB Cc1nc(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)n(C[C@H]2CCCO2)c1C 12520004 SJNVZLUUEWSWLQ-NHCUHLMSSA-N 413.587 4.525 0 40 HJAB CCOC(=O)c1ccc2c(c1)nc(SCc1cn3cc(Cl)ccc3n1)n2CC 12655033 CBNDRKGVXNRPOL-UHFFFAOYSA-N 414.918 4.826 0 40 HJAB O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCN(Cc2ccccc2)CC1 12807174 FYKZCIILUHSYDV-NHCUHLMSSA-N 417.578 4.691 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccccc2Cl)cc1 12982799 RUDKKRPJFVKZHB-UHFFFAOYSA-N 400.935 4.618 0 40 HJAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3coc(-c4cccs4)n3)C2=O)cc1 13039425 LRRDSVOMEGMISU-QFIPXVFZSA-N 409.511 4.668 0 40 HJAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 14201001 NMINSGQGCLCTLF-DEOSSOPVSA-N 421.518 4.512 0 40 HJAB c1ccc(CN2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 15675646 ZYGAVORDBFQAOM-QHCPKHFHSA-N 407.477 4.913 0 40 HJAB biogenic,in-vitro COc1cc(NC(=O)c2ccc3ccccc3c2)ccc1N1C(=O)c2ccccc2C1=O 17093006 QXBMAJBWAAHERP-UHFFFAOYSA-N 422.440 4.901 0 40 HJAB Cc1ccc(S(=O)(=O)N2[C@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1 17154373 FMGFBRMSSVEZEI-GAIPOIILSA-N 411.910 4.646 0 40 HJAB COc1ccc([C@@H](CNC(=O)CCc2nc3ccccc3s2)N2CCCCC2)cc1 18020399 KTOHACLJQZHHRS-OAQYLSRUSA-N 423.582 4.581 0 40 HJAB O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1 19347027 RZKHVGLOGKBUMP-HXUWFJFHSA-N 418.541 4.665 0 40 HJAB CCn1cc(C(=O)N[C@H](C)c2ccc(SC)cc2)c(=O)c2cc(Cl)ccc21 22235046 LGDGZCUXMLHNNI-CYBMUJFWSA-N 400.931 4.888 0 40 HJAB CCn1cc(C(=O)N[C@@H](C)c2ccc(OC)cc2)c(=O)c2cc(C(F)(F)F)ccc21 22237026 PKFAMGMBSOMPQJ-ZDUSSCGKSA-N 418.415 4.540 0 40 HJAB CC(C)=C[C@H]1[C@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1(C)C 24602163 VFPGQEPIQSGMFQ-GOEBONIOSA-N 415.887 4.641 0 40 HJAB CCCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)n1 24759046 LEPMFQJXFAYDMB-OAHLLOKOSA-N 421.526 4.668 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1SCc1cn2ccccc2n1 28261898 VMWFOHUQJONCKZ-UHFFFAOYSA-N 403.463 4.608 0 40 HJAB COc1ccccc1O[C@@H](C)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 28288554 SLSNICGOSHEXRZ-AWEZNQCLSA-N 416.930 4.598 0 40 HJAB COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccccc2C)cc1 28527997 UDWAQSOVYGCYAE-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB O=C(CCC1CCCC1)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 30393228 QRFKNHYABQYDRP-UHFFFAOYSA-N 404.963 4.810 0 40 HJAB CSc1ccc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1 32426113 XZUMKBMMOHCVTF-UHFFFAOYSA-N 403.569 4.751 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)Cc2nc(-c3cccs3)oc2C)cc1OCC 32900176 BWELWHUXWKJOLB-AWEZNQCLSA-N 414.527 4.929 0 40 HJAB Oc1cc(-c2ccccc2)nc(SCc2nc(-c3ccc(F)c(Cl)c3)no2)n1 38654273 CGMAEOOUEOJEPH-UHFFFAOYSA-N 414.849 4.984 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1cccc(F)c1 40135346 ZZFNVGLNNXUAMV-HUUCEWRRSA-N 417.912 4.933 0 40 HJAB CCn1cc(-c2nc(-c3ccc(Br)cc3)no2)c(=O)c2cc(C)ccc21 57354786 RTXXPEYCTNDOPQ-UHFFFAOYSA-N 410.271 4.809 0 40 HJAB Cc1nc2cc(F)ccc2cc1C(=O)NCc1cccnc1OCc1ccccc1 57992225 YDKHMUMFQSBFFP-UHFFFAOYSA-N 401.441 4.586 0 40 HJAB Cc1c(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)sc2ccccc12 70038941 CVUPTCLYYLIDIM-UHFFFAOYSA-N 424.835 4.855 0 40 HJAB O=C(OCc1ccccc1)N1CCC2(CC1)CN(c1ccc(Cl)cc1F)C(=O)O2 71289274 ASMZRSOXDAQXQW-UHFFFAOYSA-N 418.852 4.607 0 40 HJAB COc1cccc(-c2nccnc2[C@H]2CCCN(CCOc3ccc(F)cc3)C2)c1 72359004 PGWDHPHGQLVFAY-IBGZPJMESA-N 407.489 4.550 0 40 HJAB COc1cccc(C(=O)N2CCC[C@@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)c1 72372467 HUNSMGBVVXBBNB-JOCHJYFZSA-N 417.513 4.526 0 40 HJAB CCc1nc(C)sc1C(=O)Nc1nc(C(=O)OC)c(-c2ccccc2Cl)s1 72404887 WYPQZIJWNSMBDR-UHFFFAOYSA-N 421.931 4.830 0 40 HJAB COc1ccc2cc(C(=O)Nc3ccccc3C(=O)N3C[C@@H](C)C[C@@H](C)C3)[nH]c2c1 89920253 RENCQXYIAVSQRO-IYBDPMFKSA-N 405.498 4.547 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223858697 LFRDKRPWLHBWIO-GOSISDBHSA-N 412.961 4.667 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C 223981017 VZZLGHQGMBUYLX-DEOSSOPVSA-N 424.585 4.578 0 40 HJAB COc1ccc(C)cc1NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224878427 IATCGBMMZDZHLN-UHFFFAOYSA-N 415.287 4.992 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 225035205 LQEHUUQSKMXXFL-ROUUACIJSA-N 400.950 4.523 0 40 HJAB O=C1CCCN1c1cccc(NC(=S)NCCCSCc2ccc(F)cc2)c1 225616448 VGOZLAOTMGLYKQ-UHFFFAOYSA-N 417.575 4.562 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 225661694 OWJRSIVJODUQAW-AUSIDOKSSA-N 412.549 4.707 0 40 HJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)cc1Cl 225791310 WHFPEIHRNIOBHM-HNNXBMFYSA-N 420.962 4.887 0 40 HJAB COc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4ccc(C)nc4)C3)c2)cc1 257273168 NFNGDVLAMMKGPH-FQEVSTJZSA-N 416.525 4.865 0 40 HJAB CCN1CCN(C(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)CC1 408572113 FFWDXWFBWJDJOX-UHFFFAOYSA-N 409.382 4.885 0 40 HJAB COc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(C)c3)n2)c1 408696704 DRPMGCSNUZWIOH-UHFFFAOYSA-N 416.456 4.951 0 40 HJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 408706034 TWZMJMNOPUPJRK-SFHVURJKSA-N 424.522 4.510 0 40 HJAB CC(C)CSc1nc2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2s1 408750996 VDGGLGPGJMIWLZ-SYWGBEHUSA-N 402.541 4.506 0 40 HJAB O=C(O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 409023185 UHNCKXKLFIJMKC-GHXNOFRVSA-N 411.913 4.674 0 40 HJAB CCOC(=O)Cn1cc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 409136980 VWHUVKSBPZRUJY-NDENLUEZSA-N 420.490 4.754 0 40 HJAB CCN1C(=O)S[C@@H](Cc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C1=O 409147450 XWTYYMMJBIPWOT-KRWDZBQOSA-N 423.893 4.693 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OC(C)C)cc3)C2=O)c(C)c1 409176910 ASGKXZKUQNPJPM-NDENLUEZSA-N 424.522 4.766 0 40 HJAB Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccccc3F)C2=O)cc1 409223363 FLOUKAMOCTVRJU-HYARGMPZSA-N 416.452 4.806 0 40 HJAB Cc1cccc(C)c1C(=O)N1CCC2(CC1)Cc1ccccc1CN(CC1CC1)C2=O 1565551557 OYLKZZLKXJYIJI-UHFFFAOYSA-N 416.565 4.521 0 40 HJAB COc1ccc(-c2ccc(CNS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 1662128657 RCPJIIPHFOQUTB-UHFFFAOYSA-N 403.503 4.994 0 40 HJAB Cc1cc(C)cc(NC(=O)N2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)c1 1776008564 GMOCHWAHMWHDGW-IRXDYDNUSA-N 403.324 4.662 0 40 HJAB COc1ccc(Cl)c(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)c1 661137 HJUIWBOSBMSRTC-UHFFFAOYSA-N 410.886 4.855 0 40 HJAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3OC)c2C(N)=O)C1 996670 WPYPNPXIZKRUTR-ZDUSSCGKSA-N 400.544 4.649 0 40 HJAB COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccc(OC)cc3)c2)cc1 1006634 IMVUOOPDJKYFBP-UHFFFAOYSA-N 410.857 4.862 0 40 HJAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)nc1C 1925875 AEJKEEBSBCFFOY-SDNWHVSQSA-N 422.506 4.859 0 40 HJAB CSc1nc2ccc(NC(=O)CSc3nc4ccc(N)cc4s3)cc2s1 2500815 RXANCHDEKGFEBQ-UHFFFAOYSA-N 418.594 4.941 0 40 HJAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ncc(Cl)cc1Cl 3290443 MVSLONNEUIYNCJ-UHFFFAOYSA-N 401.249 4.851 0 40 HJAB COc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2c(Cl)cc(Cl)cc23)cc1OC 4852948 KZKFRZILAQMAET-AUUYWEPGSA-N 409.269 4.780 0 40 HJAB Oc1ccc2c(c1)Oc1ncn3nc(Cc4ccccc4)nc3c1[C@@H]2c1ccccc1 5186994 XXWYIXKREGTTSV-JOCHJYFZSA-N 406.445 4.707 0 40 HJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 5435046 FOSIGCKWOBXICC-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB O=C(COc1ccc(-c2nc3ccccc3s2)cc1)N1CCc2ccccc2C1 5475924 RBIBZRCXTLDNQW-UHFFFAOYSA-N 400.503 4.927 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC 5500394 OLZWFJRWXBIOPF-UHFFFAOYSA-N 400.935 4.912 0 40 HJAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1 5584044 DDWVNNRXLDSDJR-KRWDZBQOSA-N 415.864 4.767 0 40 HJAB Cc1cc(C(=O)CSc2nc(-c3ccccc3F)n[nH]2)c(C)n1CC(F)(F)F 5678284 CKNVNLOVJORHBV-UHFFFAOYSA-N 412.412 4.566 0 40 HJAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)cc1Cl 6316285 NHPPPPPGXVNDKW-UHFFFAOYSA-N 404.713 4.610 0 40 HJAB C[C@H](Sc1nccn1C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 6369945 RHCJUKFGWCRMBQ-GUYCJALGSA-N 414.918 4.525 0 40 HJAB CC[C@@H]1CCc2c(sc(NC(=O)c3ccnn3C)c2C(=O)Nc2ccccc2C)C1 6489417 PHFSKADJAKQTSA-OAHLLOKOSA-N 422.554 4.810 0 40 HJAB CCN1C(=O)/C(=C\c2cn(CC#N)c3ccccc23)S/C1=N/c1ccc(OC)cc1 6630291 NYHHAZVDALSHPH-LRXZINBSSA-N 416.506 4.797 0 40 HJAB COc1cc(C(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)cc(OC)c1OC 7594920 RGBAJOFOMHTOPC-UHFFFAOYSA-N 417.465 4.612 0 40 HJAB Cc1cccc(Oc2ccc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)cc2)c1 7757942 DBGOLCMVCCXYHJ-UHFFFAOYSA-N 413.470 4.729 0 40 HJAB COc1cccc(NC(=O)[C@H](Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)c1 7851781 IMDMZUAWKXXMTN-HXUWFJFHSA-N 420.538 4.971 0 40 HJAB COc1ccc(CCNc2nc(-c3ccc(N4CCCC4=O)cc3)cs2)cc1OC 8297988 DPUUHQQQJNOCCF-UHFFFAOYSA-N 423.538 4.609 0 40 HJAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)Nc1ccccc1Cl 8410154 DCZQLRZIYRWBFR-UHFFFAOYSA-N 403.935 4.922 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2ccccc2c1 8986961 CBLKRQDGRKXOGZ-UHFFFAOYSA-N 408.523 4.575 0 40 HJAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)NCCc1c[nH]c2ccccc12 9254640 URJBXPSKSWKBNT-RUZDIDTESA-N 415.562 4.536 0 40 HJAB O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12)c1ccc(F)cc1 9518467 DAIKXOVWIXSITG-UHFFFAOYSA-N 418.380 4.805 0 40 HJAB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ncc(Cl)c(Cl)c1Cl 9643307 RTWDYTVRGXXAJL-UHFFFAOYSA-N 424.667 4.994 0 40 HJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 9665521 BRBCUWAZHAPVEA-UHFFFAOYSA-N 418.925 4.802 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 9740558 QEPMWYSKUPWDNR-QHCPKHFHSA-N 416.456 4.988 0 40 HJAB C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NCc1ccco1 9864821 GPOIBXLPMQEOFY-INIZCTEOSA-N 416.506 4.596 0 40 HJAB O=c1nc(SCc2ccc(Cl)cc2Cl)c2c(n1C[C@@H]1CCCO1)CCC2 10255420 FYGQJSJXZGPKFN-AWEZNQCLSA-N 411.354 4.510 0 40 HJAB CCCCc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10370094 KIMLMENGUSNPJQ-INIZCTEOSA-N 422.978 4.784 0 40 HJAB COC(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c1 11205312 IGHFVKOUQSPGQA-UHFFFAOYSA-N 418.453 4.620 0 40 HJAB C[C@@H](Oc1ccccc1F)C(=O)Nc1nc(-c2ccc(Br)cc2)ns1 11914858 SNYDNBBRLIISRD-SNVBAGLBSA-N 422.279 4.513 0 40 HJAB CCc1c(C)noc1-c1cnc(NCc2ccccc2F)nc1-c1cnc(C)cn1 12156249 QCTGEJVJXJSDPU-UHFFFAOYSA-N 404.449 4.519 0 40 HJAB CC(C)c1cc(C(=O)Nc2ccc3c(c2)OCO3)nn1-c1nc2ccccc2s1 12285563 RTWUJOHFZLGAKW-UHFFFAOYSA-N 406.467 4.586 0 40 HJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cc(Cl)ccc1OC)O[C@H](C)C2 12590780 SSWAPUYMGPHPGU-CHWSQXEVSA-N 404.894 4.510 0 40 HJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)Cc1ccccc1 12763757 FXDFFNLFEACSJD-UHFFFAOYSA-N 417.534 4.501 0 40 HJAB O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCCC[C@@H]1c1nc2ccccc2s1 12854164 FAKMLIICWLGJKJ-SXAWMYDMSA-N 406.507 4.835 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc2c(s1)CC[C@@H](C)C2 12902281 MELMQZJYZFEAKO-CYBMUJFWSA-N 424.488 4.993 0 40 HJAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(F)c(C(F)(F)F)c1 15880960 PTCBWDXOLAJQFU-UHFFFAOYSA-N 423.391 4.735 0 40 HJAB COc1ccc([C@@H]2N3CCc4c([nH]c5ccccc45)[C@@H]3[C@H]3CCCCN23)c(OC)c1 19329928 OPAURFWSUNCBPO-ZODMCCGTSA-N 403.526 4.651 0 40 HJAB COc1cccc(Cc2ccc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)nc2)c1 19687936 HQCPADKRHJMDFS-XMMPIXPASA-N 404.485 4.726 0 40 HJAB O=C1Nc2ccccc2CC[C@@H]1Sc1nnc(-c2cccc(Br)c2)o1 20734495 WAHKOQHHXCCGBN-HNNXBMFYSA-N 416.300 4.545 0 40 HJAB COc1ccc(/C=C/C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c(OC)c1 24771712 WMRKGCHKLJRTEI-KMEWNKIWSA-N 405.519 4.953 0 40 HJAB Cc1nc(C2(NC(=O)c3cc(-c4cccs4)nc4onc(C)c34)CCCCC2)no1 25598700 YPPSWDLVSMUTJW-UHFFFAOYSA-N 423.498 4.541 0 40 HJAB Cc1cccc(Cn2cc(Br)c(NC(=O)CSc3ccccc3)n2)c1 27917394 KFEPIYJGQGXCGC-UHFFFAOYSA-N 416.344 4.733 0 40 HJAB COc1cccc(NC(=O)N2CCS[C@@H]2c2cc(Br)ccc2OC)c1 28232260 YSSGGDKDQHUKQB-QGZVFWFLSA-N 423.332 4.746 0 40 HJAB CCN(CC)c1ccc(-c2nnc(SCc3noc(-c4ccco4)n3)n2CC)cc1 30866381 XNPUFAABXZSTGT-UHFFFAOYSA-N 424.530 4.747 0 40 HJAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H](C)Oc1cccc(Cl)c1Cl 31696158 JVALGYHIWWVFGQ-ZDUSSCGKSA-N 410.297 4.581 0 40 HJAB O=C(CSc1nnc(-c2ccccn2)o1)Nc1cc(C(F)(F)F)ccc1Cl 32698368 KORIWOLNEHKLJX-UHFFFAOYSA-N 414.796 4.535 0 40 HJAB C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 36390057 RKFDHFPSUFILLM-VGSWGCGISA-N 406.526 4.501 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 38755503 WCTNCQLUWBBYGY-IBGZPJMESA-N 422.550 4.904 0 40 HJAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N(C[C@H]1CCOC1)C1CC1 40107943 XFEGCZNYEWAERO-CYBMUJFWSA-N 409.313 4.609 0 40 HJAB CCC(CC)c1nnc(NC(=O)c2ccc(COc3ccccc3OC)o2)s1 40129353 MKYKRGLTEYYHPL-UHFFFAOYSA-N 401.488 4.875 0 40 HJAB C[C@H](CNC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)N(C)c1ccccc1 48332166 CHYWOPLYUYCRDC-GOSISDBHSA-N 417.513 4.977 0 40 HJAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccccn2)CO4)cc1 57122033 ASTKJHZXUPATJC-UHFFFAOYSA-N 414.461 4.524 0 40 HJAB biogenic O=C(c1cc2cc(Br)ccc2o1)N1CCC([C@@H](O)c2ccccc2)CC1 84522212 SSVYPKATBAAXAS-FQEVSTJZSA-N 414.299 4.781 0 40 HJAB CC1(C)C[C@@H](NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C[C@@](C)(CNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C1 102196989 BCUCJWQATQBQSA-CXZZJSMKSA-N 414.634 4.676 0 40 HJAB Cc1cc(C)cc(N(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1 197475074 ZOQMWNJLIMDZAE-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB COc1ccccc1CCCNC(=O)COc1ccc(C(C)C)cc1Br 218874156 JVEZWMFZUSRUQJ-UHFFFAOYSA-N 420.347 4.709 0 40 HJAB CCSc1ccccc1C(=O)NCc1nc(-c2cccc(Br)c2)no1 219651859 ZLZGTLRDQYYUQT-UHFFFAOYSA-N 418.316 4.541 0 40 HJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223690564 JPIZJWZEVYVOIL-INIZCTEOSA-N 403.891 4.663 0 40 HJAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccnc3ccccc23)C1 257277611 NYSOWCJRIJGYNO-KRWDZBQOSA-N 401.535 4.799 0 40 HJAB C[C@@]12C[C@H]3[C@H](Cc4ccccc4)N[C@@H]1CCC[C@@H]2N3C(=O)c1nccc2ccccc12 257340868 ZHVGDVPRBOHYLK-RTCYWULBSA-N 411.549 4.591 0 40 HJAB O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 408659980 LCQDXCQCNVFQQC-CDGVZUOJSA-N 418.276 4.922 0 40 HJAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc2ccccc2c1 408703769 GXXAGTHUZYUVSD-UHFFFAOYSA-N 416.502 4.921 0 40 HJAB Cc1ccc(CSCc2nnc(SCC(=O)Nc3cccc(C)c3)n2C)cc1 409365334 ZONFMYVOFRMAGF-UHFFFAOYSA-N 412.584 4.596 0 40 HJAB CC(C)Cn1ncc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)c1C1CC1 520274722 RONDJNGCBHEQNA-UHFFFAOYSA-N 417.435 4.873 0 40 HJAB O=C(NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)c1nn(Cc2ccc(F)cc2)c2ccccc12 2356096506 MWBHSNBPUSKVDD-LPSAYFBNSA-N 403.501 4.922 0 40 HJAB CC(C)c1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3)CC2=O)cc1 631857 ZXYJUZAFHAVISM-HNNXBMFYSA-N 401.304 4.564 0 40 HJAB O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 1305359 UYJWMQSESPXRRO-RDJZCZTQSA-N 420.366 4.640 0 40 HJAB CCOC(=O)c1c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2n2ccccc12 1402606 XRNTWJKIXURABO-UHFFFAOYSA-N 422.868 4.940 0 40 HJAB O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1ccccc1Br 2374740 NYFKPMPGARDGCV-UHFFFAOYSA-N 421.250 4.870 0 40 HJAB Cc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)n1C 2634252 KEUHBTNPMYFDFQ-UHFFFAOYSA-N 420.538 4.825 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)c1 4070422 FWFCZNYFUKJYCF-UHFFFAOYSA-N 410.282 4.781 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)c1 4569279 HYZDNHJGNDUODI-UHFFFAOYSA-N 408.483 4.527 0 40 HJAB CCCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1 4816788 LEOMQMKFSSWYCJ-VQTJNVASSA-N 410.905 4.808 0 40 HJAB COc1cc(NC(=O)COc2ccc(C)c(C)c2)ccc1C(=O)Nc1cccs1 4993606 GGVLQJRIYIBIBQ-UHFFFAOYSA-N 410.495 4.643 0 40 HJAB CSc1nnc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1C(C)C 5001682 IHJVEEYVAHABEG-UHFFFAOYSA-N 407.849 4.575 0 40 HJAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc2c(c1)OC(F)(F)O2 5584174 KSEMVOPPQAFBRG-UHFFFAOYSA-N 411.451 4.504 0 40 HJAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6083157 BTQPJPNDOAYUNT-UHFFFAOYSA-N 402.494 4.701 0 40 HJAB O=C1O[C@@H](c2ccccc2)N(C(=O)c2cccc(Br)c2)c2ccccc21 6242161 SPZGRVXZPINJSY-FQEVSTJZSA-N 408.251 4.965 0 40 HJAB CCc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 6753256 HSXYSGBGZBCHEV-DEOSSOPVSA-N 413.477 4.992 0 40 HJAB Cn1c(SCc2nc(-c3ccccc3Cl)no2)nnc1-c1ccccc1F 8132018 FOEWKJUUBXCQJN-UHFFFAOYSA-N 401.854 4.617 0 40 HJAB Cc1sc2ncn(CC(=O)Nc3ccc4c(c3)CCC4)c(=O)c2c1-c1ccccc1 8264308 UCCIIORTDGWYLN-UHFFFAOYSA-N 415.518 4.561 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccco1 8389331 BZPNXBWDGPFSGY-UHFFFAOYSA-N 413.528 4.535 0 40 HJAB COc1cccc(CNCc2ccc(C(=O)O)cc2)c1OCc1ccccc1Cl 8495611 YXCOBVBRCVENCO-UHFFFAOYSA-N 411.885 4.916 0 40 HJAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCC(C)C)c(OC)c1 8869355 HZMNOBKAPNVNDP-QFIPXVFZSA-N 421.493 4.792 0 40 HJAB COc1ccccc1CCNC(=O)Cc1csc(SCc2ccc(C)cc2)n1 8936367 KXILPTMZWKMNOX-UHFFFAOYSA-N 412.580 4.654 0 40 HJAB O=C(NC1CC1)c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1 9533897 DLAWLHCNMAQSAL-UHFFFAOYSA-N 422.488 4.684 0 40 HJAB CC(C)c1ccc(-c2nnc(NC(=O)CCCn3c(=O)oc4ccccc43)s2)cc1 9591506 IDHILKYYBYLSLQ-UHFFFAOYSA-N 422.510 4.655 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c(oc3ccccc32)c1=O 9752251 RZQONBXQTDWIRX-UHFFFAOYSA-N 407.495 4.510 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1c(C)nn(CC(C)C)c1Cl 9753429 NTRNFJYJNNPILW-UHFFFAOYSA-N 413.953 4.576 0 40 HJAB Cc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc2noc(-c3ccccc3)c2c1 11689943 YDDUSIBFFGCWOF-UHFFFAOYSA-N 413.412 4.775 0 40 HJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccc(Br)cc1 11692521 ILHQUCSBGRLEMN-LJQANCHMSA-N 412.331 4.921 0 40 HJAB Cn1cc(Cl)c(C(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)n1 12185357 TWKAFHCLIICGFX-QGZVFWFLSA-N 402.857 4.625 0 40 HJAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 12539784 PTHYGNFVKFFOGT-UHFFFAOYSA-N 422.959 4.838 0 40 HJAB Cc1ccccc1-n1c(S[C@H](C)c2nc(C(C)C)no2)nnc1-c1cccnc1 12545719 FILRCGSOLDXUMP-OAHLLOKOSA-N 406.515 4.997 0 40 HJAB O=C(CCc1nc2ccccc2s1)NCCSc1ccc(Br)cc1 12783000 ZAJPKFCGEYVISV-UHFFFAOYSA-N 421.385 4.900 0 40 HJAB CCN(Cc1ccc(Br)s1)Cn1nc(-c2ccccc2)[nH]c1=S 12810782 GOCCROIJGPISSI-UHFFFAOYSA-N 409.378 4.911 0 40 HJAB CN(Cc1ccccc1)C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 12848536 YTVJHJXCRQLYFC-UHFFFAOYSA-N 423.485 4.975 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@@H](NCC(=O)Nc2c(C)cccc2C)c2ccccc2)c1 12905899 GHNRRNNQMKTEGI-VWLOTQADSA-N 415.537 4.828 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12977761 NGZNHRYRGGYNQA-LZGZYFLISA-N 400.950 4.794 0 40 HJAB CC(C)Cc1cc(-c2nnc3sc(COc4cccc5ccccc45)nn23)n[nH]1 13690339 LKCBFGPOCWNSRF-UHFFFAOYSA-N 404.499 4.507 0 40 HJAB O=C(Nc1cccc(C2SCCS2)c1)c1ccc(OCC(F)(F)F)nc1 14528229 RVMYJMISZIDLPO-UHFFFAOYSA-N 400.447 4.754 0 40 HJAB Cc1ccc(F)c(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 15317101 BNYXOJHWOGXADU-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB COc1ccc(Cc2nc3c4c(C)c(C)n(-c5ccc(C)c(C)c5)c4ncn3n2)cc1 15842362 COCCXICLWYRLMT-UHFFFAOYSA-N 411.509 4.901 0 40 HJAB Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCC(C)CC3)cc(=O)c2c1 15860515 LCZASQIOYWIHAU-FQEVSTJZSA-N 422.525 4.514 0 40 HJAB Cc1c(C(=O)NC[C@@H](c2ccccc2)N(C)C)oc2ccc(Br)cc12 16599054 ULVWKIAMCJDSIU-KRWDZBQOSA-N 401.304 4.536 0 40 HJAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1C 17010261 ULKRNZCSPOJREX-UHFFFAOYSA-N 424.522 4.599 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c1 17026590 FKJJPAMPSAHEJW-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB O=C(Nc1ccc(-c2noc(COc3ccccc3Cl)n2)cc1)c1cccnc1 17087513 NQLONTNNURCMOY-UHFFFAOYSA-N 406.829 4.616 0 40 HJAB Nc1c(C(=O)c2ccc(F)cc2)sc2nc3c(cc12)CN(Cc1ccccc1)CC3 20289832 AXPDEPILEYTQPS-UHFFFAOYSA-N 417.509 4.807 0 40 HJAB CC[C@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 22517163 DNBKRLWLOOTZAH-QFIPXVFZSA-N 422.550 4.701 0 40 HJAB Cc1ccc(OC[C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)c(C(C)(C)C)c1 23211926 VNJRANIIDWNLMC-NRFANRHFSA-N 416.993 4.508 0 40 HJAB COc1cccc(-c2nc(CN(C)CC(=O)Nc3c(C)cc(C)cc3C)cs2)c1 32664869 YQYVFUWDTXGYTF-UHFFFAOYSA-N 409.555 4.814 0 40 HJAB Cc1nn(CC(C)C)c2sc(C(=O)O[C@H](C)C(=O)Nc3c(F)cccc3F)cc12 32776174 XHIPGAYTSUBMGS-GFCCVEGCSA-N 421.469 4.524 0 40 HJAB CCN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)NC1=S 39556537 ICAIUIAFGZNPHW-ZDLGFXPLSA-N 413.905 4.560 0 40 HJAB Cc1cccc(Oc2ccccc2NC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)c1 40059821 HDCJPUUIQNEXAC-GOSISDBHSA-N 404.466 4.871 0 40 HJAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCC(c2ccc(O)cc2)CC1 42062662 PUHRLIKTBYJZJV-UHFFFAOYSA-N 406.482 4.596 0 40 HJAB COc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2-c2ccc(C)cc2)cc1 44086455 DVGDTGKPWXSKNM-UHFFFAOYSA-N 407.539 4.571 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3cccc(C)c3)CC1)CC(C)(C)O2 44855520 FAQZFZKJNWJWDB-QHCPKHFHSA-N 422.569 4.634 0 40 HJAB Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCCC4=CCCCC4)C3)nn2)cc1C 48990662 URKCESDHMAWBHP-QHCPKHFHSA-N 418.585 4.984 0 40 HJAB COc1ccc(NC(=O)CSc2ccc(-c3nc(-c4ccccc4)no3)cn2)cc1 49405474 NESMUJRJMFRDEP-UHFFFAOYSA-N 418.478 4.538 0 40 HJAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1c(F)cccc1F 57487264 NOMZZHLWKHACLH-UHFFFAOYSA-N 414.799 4.775 0 40 HJAB CC(C)(C)n1nnnc1[C@H](c1cccs1)N(Cc1ccccc1)Cc1ccco1 57614059 DYYNFEFKNVBOOC-FQEVSTJZSA-N 407.543 4.874 0 40 HJAB CC(=O)Nc1ccc(S(=O)(=O)N(c2ccc3[nH]ccc3c2)[C@H](C)CC(C)C)cc1 60348721 GUTCZSPPCNKTKU-MRXNPFEDSA-N 413.543 4.756 0 40 HJAB Cc1ccccc1CSc1nc2ccsc2c(=O)n1CCCN1CCCCC1 71327635 BITGKZHZZJWQKT-UHFFFAOYSA-N 413.612 4.935 0 40 HJAB CC(C)Cc1noc(CN2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)n1 71889326 MZNAVHJIRHPQNZ-QFIPXVFZSA-N 424.589 4.565 0 40 HJAB Clc1cnc(NCCNCc2ccc(OCc3ccccn3)cc2)c(Cl)c1 72310923 HEPBSJBTKAMOPW-UHFFFAOYSA-N 403.313 4.564 0 40 HJAB Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 72345141 UFYAFHFZHSSJTK-GBXCKJPGSA-N 418.581 4.558 0 40 HJAB COc1ccccc1CCCNc1cc([C@H](C)Cn2nc(C)c(C)c2C)nc(C)n1 72373175 RKNZHTUYBOSVSR-MRXNPFEDSA-N 407.562 4.764 0 40 HJAB CNC(=O)c1ccc(NC(=O)/C=C/c2ccc(SC(F)(F)F)cc2)c(Cl)c1 89391757 KGFKMUSWSVPKSJ-RUDMXATFSA-N 414.836 4.963 0 40 HJAB COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1Cl 98211320 KYPTWBLTEBXVIK-UHFFFAOYSA-N 408.845 4.506 0 40 HJAB C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCCCCC1 107963703 FLFRLYWOZICKHS-GHTZIAJQSA-N 418.578 4.714 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118927912 BNXKKGNFJUFIND-RPKYOAFDSA-N 404.591 4.775 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217369430 CPIYFCWIOFUYTK-UHFFFAOYSA-N 416.924 4.627 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 223184415 BIVAAUPBVMEXGL-HXUWFJFHSA-N 418.990 4.517 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)Cc2ccccc2)cc1 223752929 UIBFHHYNTOCBRW-UHFFFAOYSA-N 422.550 4.547 0 40 HJAB Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c1 223943815 PBTXLVFCHFHMQV-IBGZPJMESA-N 422.550 4.904 0 40 HJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCC 224242847 WHNUPCDTTLBWEG-NRFANRHFSA-N 400.950 4.606 0 40 HJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCCC1 224257619 JUARXPOASKJRFX-SFHVURJKSA-N 406.526 4.598 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)cc1 225162230 JOHDDYXNXJBHNZ-SFHVURJKSA-N 400.950 4.525 0 40 HJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)c1 225289637 VCIXIAYIGXCGDG-OAHLLOKOSA-N 413.905 4.906 0 40 HJAB Cc1nccn1-c1ccccc1CNC(=O)CSCc1ccc(Cl)cc1F 225715747 AMEKDPOGHVQZSR-UHFFFAOYSA-N 403.910 4.523 0 40 HJAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N[C@H]3C[C@H]4CC[C@H]3C4)n2)cc1 251293155 XYMNLQKAYZPYAG-BPUTZDHNSA-N 421.488 4.868 0 40 HJAB O=C(CCCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21 257199091 SCPFIOQUNAJIQW-JCPVEWQXSA-N 417.597 4.912 0 40 HJAB CCOc1ccc(Br)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260774890 OADJETGXLHCHPK-NXOUGTEYSA-N 418.360 4.832 0 40 HJAB CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCCC[C@@H]2CSC(C)(C)C)CC1 390829762 GKIJRXDKQQKUKC-GOSISDBHSA-N 412.640 4.936 0 40 HJAB COc1ccc(C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 408543428 DISCUQSAHPCIJW-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3cccc(OC)c3)nc2-c2cccc(C)c2)cc1 408698174 LTFPDIKKQJATSK-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB Fc1ccc(N2[C@H](n3nnc4ccccc43)CCC[C@H]2n2nnc3ccccc32)cc1 408722466 UOTANFADQCVGAX-DHIUTWEWSA-N 413.460 4.703 0 40 HJAB Cn1c(=O)oc2cc(CNCc3csc(-c4ccc(C(F)(F)F)cc4)n3)ccc21 511360554 KYJDYURLVRFFDP-UHFFFAOYSA-N 419.428 4.564 0 40 HJAB Cc1cc(-c2noc(-c3cc(-c4ccccc4)nc4c3c(C)nn4C)n2)cc2nc[nH]c12 546435517 YLONRMXBUZNGDY-UHFFFAOYSA-N 421.464 4.845 0 40 HJAB Cn1cc(CC(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)c2ccccc21 1890449211 FJMDQKBVGQTBOY-UHFFFAOYSA-N 418.928 4.724 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CC[C@H](C)C2 1102682 DWUBPYHLAKAGSW-VIFPVBQESA-N 412.305 4.657 0 40 HJAB FC(F)(F)COc1ccc(OCC(F)(F)F)c(-c2ncnn2-c2ccccc2)c1 1384644 ZVBHHDFVFKOEHD-UHFFFAOYSA-N 417.309 4.817 0 40 HJAB CCCOC(=O)c1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1 2114301 VEPNKSSJUQFDGF-UHFFFAOYSA-N 419.477 4.595 0 40 HJAB biogenic CC(C)CCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC4 2280948 BLZZLPBSICUCOB-UHFFFAOYSA-N 410.568 4.722 0 40 HJAB O=c1[nH]c(CSc2nnc(-c3ccco3)o2)nc2scc(-c3ccccc3)c12 3309003 GHEQSESOBYHMLP-UHFFFAOYSA-N 408.464 4.587 0 40 HJAB CCSc1nnc2c(n1)O[C@H](c1ccc(Cl)cc1)N(C(C)=O)c1ccccc1-2 3640796 ILOVVWBKTLPWGP-LJQANCHMSA-N 412.902 4.748 0 40 HJAB CCS(=O)(=O)c1c(Nc2cc(C)ccc2C)sc(C(=O)c2ccccc2)c1N 4372180 XDCKBJGERXTFFZ-UHFFFAOYSA-N 414.552 4.715 0 40 HJAB O=C1Nc2ccc(Cl)cc2[C@@]12Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 5010024 MQKRRQAAPHNTSO-DYESRHJHSA-N 407.882 4.750 0 40 HJAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccncc1)c1c(c3ccccc3oc1=O)N2 5570546 BQRYWPXNCLNDDC-OAQYLSRUSA-N 406.445 4.919 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)N(C)c2ccccc2)n1Cc1ccccc1 6532207 KQMXANQWRKSBJS-UHFFFAOYSA-N 418.522 4.650 0 40 HJAB CC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)n1nc(-c2cc(C)ccc2C)ccc1=O 6767312 TZCOSCVFRFKFCN-FQEVSTJZSA-N 413.880 4.909 0 40 HJAB CCOc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)c(C)s2)cc1OC 7109586 YUVWJSLXBGOVHI-UHFFFAOYSA-N 418.540 4.564 0 40 HJAB CCCN(Cc1nnc(-c2ccco2)o1)[C@@H](C)C(=O)Nc1cccc2ccccc12 8242417 LPMOGBWGDLAORI-INIZCTEOSA-N 404.470 4.722 0 40 HJAB COc1ccc2c(CC(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)coc2c1 8272195 KZNHBZWOJNNNBI-FQEVSTJZSA-N 412.555 4.635 0 40 HJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1nn2cc(-c3ccccc3)nc2s1 8338316 OPCLLYXQXGNFEW-UHFFFAOYSA-N 402.401 4.658 0 40 HJAB CCOC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccc(C)cc3C)cc12 8765704 BAOAATWLVBEQSO-UHFFFAOYSA-N 421.902 4.989 0 40 HJAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 8958847 XQLLJDNUDGOEGG-UHFFFAOYSA-N 416.905 4.519 0 40 HJAB Cc1oc2cc(O[C@@H](C)C(=O)NCc3ccco3)ccc2c(=O)c1Oc1ccccc1 9336578 SRGFGUASDFTBTJ-INIZCTEOSA-N 419.433 4.570 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)CSc1ncnc2c1cnn2Cc1ccccc1 9345191 FKQQDXLBDXRCMH-UHFFFAOYSA-N 423.929 4.567 0 40 HJAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc(Br)ccc1Cl 9440053 VXANGTGSDHMNFJ-UHFFFAOYSA-N 424.722 4.697 0 40 HJAB CCOc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(C)c3)n2)cc1 9625555 IOMBXAQINJMBBO-UHFFFAOYSA-N 410.499 4.675 0 40 HJAB Cc1cc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)ccc1Cl 10675126 BQGQVLMCQYQUPL-UHFFFAOYSA-N 412.902 4.921 0 40 HJAB COc1cccc(OC)c1C(=O)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 11136382 PFXFWISWZSWELL-DEOSSOPVSA-N 424.424 4.808 0 40 HJAB CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)cc2N1 12160756 BNYNCHGSLWBOGM-MVJTYMMSSA-N 424.511 4.889 0 40 HJAB CCOc1cccc2s/c(=N/C(=O)c3ccc(Br)cc3)n(CC)c12 12378113 IKSYIXFDLONKTR-CZIZESTLSA-N 405.317 4.625 0 40 HJAB CSCc1ccc(C(=O)Nc2ccnn2Cc2ccccc2Br)cc1 12903334 ZBENTNBYPXMSNM-UHFFFAOYSA-N 416.344 4.809 0 40 HJAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 13021753 MYCPIUJXDWXMFU-BJKOFHAPSA-N 414.505 4.518 0 40 HJAB COc1ccc(-c2nnc(S[C@H](C)C(=O)c3c(C)[nH]c4ccccc34)o2)c(OC)c1 13121595 DUGYFGYGHQDENW-CYBMUJFWSA-N 423.494 4.907 0 40 HJAB COc1cc(OC)cc(-c2cc3nc4c(c(N5C[C@@H](C)C[C@@H](C)C5)n3n2)CCCC4)c1 13562840 HWQXWFXEKBJJTA-CALCHBBNSA-N 420.557 4.775 0 40 HJAB O=C(Nc1nc(NCc2ccccc2Cl)n(-c2ccccc2)n1)c1ccccc1F 13608219 YWVFEBZGGWPJLH-UHFFFAOYSA-N 421.863 4.924 0 40 HJAB CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714767 JLVMQLPRRDUCIM-IBGZPJMESA-N 422.978 4.955 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccccc1Cl 13769878 OFKPVWCNHNMZRD-NJDAHSKKSA-N 422.843 4.530 0 40 HJAB COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN21 13786213 IBFDPFBFOLMWIH-NTKDMRAZSA-N 400.434 4.666 0 40 HJAB CCOc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2cccs2)cc1 15413332 IMWBVLREGNCNBK-HSZRJFAPSA-N 420.534 4.885 0 40 HJAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 17089001 GCEFOKKQCCBNMA-KRWDZBQOSA-N 411.571 4.981 0 40 HJAB O=C(NCc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1)[C@@H]1C[C@@H]1c1ccccc1 17094054 GURVXEIOYUGWNL-XDZVQPMWSA-N 424.544 4.526 0 40 HJAB O=C(Oc1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)c1ccc(Cl)cc1Cl 18240981 CXLYDTOYMNAKQT-HOTGVXAUSA-N 418.276 4.892 0 40 HJAB COc1cccc([C@H]2CN(C(=O)C(C)(C)C)[C@@H]3CCN(Cc4ccccc4F)C[C@H]23)c1 19081650 KYRQFGGYKNLASU-CQOQZXRMSA-N 424.560 4.697 0 40 HJAB COc1ccc(CN2CCCC[C@@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 19081722 NIGFCWPBZVFLLQ-NFBKMPQASA-N 409.574 4.738 0 40 HJAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(Br)cc1 20029954 UWBLRSHQFHMQOM-LLVKDONJSA-N 418.740 4.541 0 40 HJAB Cc1ccc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 20347229 XPDXMJRDKQVCLX-UHFFFAOYSA-N 414.549 4.616 0 40 HJAB CCCc1nnc2sc(-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)nn12 20609673 IEPXPCVILXKFEU-UHFFFAOYSA-N 411.918 4.640 0 40 HJAB COc1cc(CCC(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)on1 20718226 LBNZGZJMOHNTIK-UHFFFAOYSA-N 424.840 4.681 0 40 HJAB biogenic Cc1ccc(-c2csc3ncc(C(=O)Nc4ccc(C)c(Cl)c4)c(=O)n23)cc1 20768099 KDIQFNVSOYDCFA-UHFFFAOYSA-N 409.898 4.946 0 40 HJAB Cc1ccccc1NC(=O)c1nnc2c(-c3ccc(F)cc3)c(C(C)C)nn2c1C 20797828 YQTMASCIBCWFMU-UHFFFAOYSA-N 403.461 4.923 0 40 HJAB CCC(=O)Nc1cccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c1 21595727 RKFXMKCDPGMZQR-UHFFFAOYSA-N 405.292 4.594 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1nc(CN2CCc3ccccc3C2)cs1 21681418 YNPGLHQVMLDEBH-UHFFFAOYSA-N 413.930 4.616 0 40 HJAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 22253282 MWONKPZCBYPVLC-WBVHZDCISA-N 409.555 4.676 0 40 HJAB O=C(Nc1cccs1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1 22606158 BAUDRHDGLNYJII-UHFFFAOYSA-N 418.975 4.875 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(Br)c1 23177457 SRZZTXHYGQLZTM-UHFFFAOYSA-N 418.316 4.994 0 40 HJAB Cc1nc(-c2cc(C)n(CC(=O)Nc3nc4ccc(F)cc4s3)c2C)cs1 32901956 BYMUGDGEHSSATJ-UHFFFAOYSA-N 400.504 4.924 0 40 HJAB COC(=O)c1c(NC(=O)C2=Cc3ccc(C)cc3OC=C2)sc2c1CC[C@H](C)C2 33321309 QGWQHFLBDHBOGM-AWEZNQCLSA-N 409.507 4.896 0 40 HJAB Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1NS(=O)(=O)c1ccccc1 38756002 MONMIBMEKSSGHX-QFIPXVFZSA-N 420.534 4.603 0 40 HJAB O=C(Nc1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1)[C@@H]1CCCO1 40133140 SAGVQAXYUOAYBN-XZOQPEGZSA-N 416.477 4.563 0 40 HJAB CC(C)Oc1nn(CN2CCC(c3nc4ccccc4s3)CC2)c(=S)s1 40158200 DSLYBDRQQVCJNO-UHFFFAOYSA-N 406.602 4.908 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccc(CC)cc2)nc2ccsc2c1=O 57478638 MLWNHIDCMKETHW-UHFFFAOYSA-N 401.557 4.551 0 40 HJAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)Nc1ccc2nc(C3CCC3)[nH]c2c1 60331847 FDJXIZJNRAHNKG-MDWZMJQESA-N 400.482 4.609 0 40 HJAB CC1=C2C[C@@H]3[C@@H](CN4CCN(c5ccc(C)cc5C)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 61997589 BWCTVXUSZPGGAC-IZJWWWMRSA-N 422.613 4.884 0 40 HJAB biogenic CN(C)c1ccc(-n2c(SCc3cccc(F)c3)nc3ccccc3c2=O)cc1 67259074 LSSXZLWFEOXNCU-UHFFFAOYSA-N 405.498 4.883 0 40 HJAB Cc1ccc(CNC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1 67289778 HDUGIAFIAOAQPU-UHFFFAOYSA-N 416.550 4.730 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)c1c(C)[nH]c2ccccc12 69193092 ZFPUGRZHBRYKJY-UHFFFAOYSA-N 417.431 4.638 0 40 HJAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(-c2ccc(F)cc2)on1 72396277 PSXUTJWUYZTBRD-FQEVSTJZSA-N 416.456 4.533 0 40 HJAB CCCCN(CC)Cc1cccc(CNC(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 79073064 LHYZOBSYRALMBK-UHFFFAOYSA-N 422.573 4.979 0 40 HJAB C[C@@H](O)C[C@@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1 79104793 ROGKNUOYGFROCJ-NQIIRXRSSA-N 407.485 4.689 0 40 HJAB O=C(CSc1ccc(F)cc1)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119686 HQTGROXCONVRQQ-UHFFFAOYSA-N 409.442 4.790 0 40 HJAB Cc1cccn(C(=O)/C=C/c2ccc(F)cc2)/c1=N/C(=O)/C=C/c1ccc(F)cc1 102541553 MNXMCEZAOKZVTC-OHTZQUBTSA-N 404.416 4.569 0 40 HJAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3[C@H](O)C(=O)[C@@]21C 118924643 JUIAJKQHOKYMHP-DCZHMHQQSA-N 404.591 4.775 0 40 HJAB CC(=O)OC[C@@H](OC(C)=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118928600 URKJWXDOTCRSDL-DMQFDWFSSA-N 420.590 4.645 0 40 HJAB CCCOc1ccccc1CCCNC(=O)COc1ccc(Br)c(C)c1 218828157 SFRHKTVOMDQLQO-UHFFFAOYSA-N 420.347 4.674 0 40 HJAB Cc1ccc(-c2noc(CNC(=O)CSCc3ccc(Cl)c(Cl)c3)n2)cc1 222733178 DTQIFCAUWRSBIO-UHFFFAOYSA-N 422.337 4.901 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C 223016156 XVWWAPSDBRJEQN-HXUWFJFHSA-N 402.922 4.830 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(Cl)cc1 223773334 LTVMOYUPWJEJHP-HNNXBMFYSA-N 422.953 4.515 0 40 HJAB CC(C)c1ccccc1OCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 223778169 HNDZATRSOZPKDK-UHFFFAOYSA-N 402.343 4.615 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 223814659 GEQJZEYXPHUOHJ-NRFANRHFSA-N 418.940 4.745 0 40 HJAB Cc1cc(Br)cnc1NC(=S)NCc1ccc(-c2ccccc2)o1 223909843 MRRHYOUWEHEDAU-UHFFFAOYSA-N 402.317 4.899 0 40 HJAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)cc1C 224114281 QUNZNJZQYZBSRF-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB COc1ccc2cc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)ccc2c1 224539110 FYKKFVLVNWNGSC-UHFFFAOYSA-N 403.503 4.916 0 40 HJAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224625599 BEPXHTQWZCVESU-XMMPIXPASA-N 408.586 4.729 0 40 HJAB Cc1ccc(C)c(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1 224998865 ODXKCOXRCFLJSS-JOCHJYFZSA-N 420.597 4.755 0 40 HJAB Cc1c([C@H](C)[C@@H]2NC[C@H](C)C[C@@H]2O)ccc2c1C[C@@H]1[C@@H]2CC=C2C[C@H](O)CC[C@@]21C 248334794 MALFODICFSIXPO-ICQQNXHFSA-N 409.614 4.595 0 40 HJAB biogenic,in-vitro Cc1ccc(N(CC(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)c(C)c1 408602189 CNGXGAAZWMONPN-UHFFFAOYSA-N 424.522 4.500 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 408657529 NAFLIFCKZKAJLL-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H]3CC=C(C)C[C@H]3C2=O)cc1 408688793 XPDZYEGXLUZBAA-FCHUYYIVSA-N 416.521 4.909 0 40 HJAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(OC(F)(F)F)cc3)oc2c1 651997 ULDPVQVUAAJUIR-QOMWVZHYSA-N 419.403 4.509 0 40 HJAB O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 1099424 BXAARGJPUFLWLF-UHFFFAOYSA-N 401.875 4.785 0 40 HJAB COc1ccc(NC(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCC2)cc1 1352752 YBZLAAWAXUAUJK-UHFFFAOYSA-N 405.498 4.822 0 40 HJAB CCCCn1nc(NC(=O)c2ccc(OC)c(OC)c2)c2cc3cc(C)ccc3nc21 2410098 HHFMNAVTNDHOKS-UHFFFAOYSA-N 418.497 4.963 0 40 HJAB CCOc1ccc(NC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)cc1 2725333 WJYZSWMXWAVFBZ-KRWDZBQOSA-N 402.756 4.548 0 40 HJAB COc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)o2)cc1 2786249 HOJAOKNXTWEWPV-UHFFFAOYSA-N 418.478 4.675 0 40 HJAB CCCCc1ccc(N2C3=[N+](CCCS3)C[C@@]2(O)c2ccc(Cl)cc2)cc1 3227245 AGNNFZBWFDWNOQ-JOCHJYFZSA-N 401.983 4.853 0 40 HJAB CCOc1ccc([C@H]2C[C@H](c3c(Cl)cccc3Cl)n3nc(N)nc3N2)cc1 3642410 NXGPFFHFQKGHBH-HZPDHXFCSA-N 404.301 4.712 0 40 HJAB COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cccc(C)c2C)cc1 4518129 RCSRKZMPORGPOU-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)s1 4555052 MSJGQKFODUFQQN-QFIPXVFZSA-N 411.910 4.717 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)N(C(=O)CC(C)C)c3ncnn32)cc1 4816769 UBRWMZYVDYHFOL-FCHUYYIVSA-N 404.514 4.709 0 40 HJAB CCC[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1 5262543 MKPYPPSUGDYTNR-SFHVURJKSA-N 406.511 4.968 0 40 HJAB Cc1cc(C)cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 5609915 KBWFPWPGMGXKDO-ZDUSSCGKSA-N 416.449 4.889 0 40 HJAB CC(=O)c1ccc(OCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)cc1 5654382 LSXGWVJGPXROAG-JOCHJYFZSA-N 402.450 4.547 0 40 HJAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 6242947 VJUCECQAGMOQDU-OAHLLOKOSA-N 422.447 4.972 0 40 HJAB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 6306568 WXRJVFMQHKMBNO-UHFFFAOYSA-N 407.558 4.541 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccccc1N1CCCCC1 6613213 LLGHDMGHCUDPFL-UHFFFAOYSA-N 417.962 4.531 0 40 HJAB Cc1cccc2nc(COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(=O)n12 6879970 WYSPRGZMVXDWDW-UHFFFAOYSA-N 402.294 4.620 0 40 HJAB Cc1nc2ccc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2s1 7670235 VOOFJKPUTOWUSP-UHFFFAOYSA-N 413.930 4.749 0 40 HJAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCc2ccccc2C1 8344635 CXDCINRNQZCEJJ-UHFFFAOYSA-N 409.489 4.746 0 40 HJAB COc1cc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1OC 8392347 RDLXBLXKFJHPHI-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(Br)cc2)cc1C 8587455 HILDLAGOPOKTQG-CYBMUJFWSA-N 416.275 4.522 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccc(Cl)cc2)o1 9629255 KOUIKTODQSOTHD-UHFFFAOYSA-N 411.918 4.885 0 40 HJAB Cc1ccccc1CN1C(=O)N(c2cccc(C)c2C)S(=O)(=O)c2ccccc21 9663900 USLCGWPSUABOBN-UHFFFAOYSA-N 406.507 4.947 0 40 HJAB CN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)[C@@H]1CCCc2ccccc21 12568040 HUXQEWLVHMYFGU-OAQYLSRUSA-N 418.566 4.773 0 40 HJAB CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Nc1cccc2ccccc12 12654165 OYYQBYNDEWBMJI-UHFFFAOYSA-N 402.454 4.952 0 40 HJAB Cc1oc2cc(OCC(=O)NCc3ccccc3)ccc2c(=O)c1Oc1ccccc1 12700275 BHWSTCJZZCYVNZ-UHFFFAOYSA-N 415.445 4.589 0 40 HJAB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(Cc2ccc(Cl)cc2)CC1 12982918 BXVAXIZFGXZKDS-UHFFFAOYSA-N 415.921 4.561 0 40 HJAB O=C(CSCc1coc(-c2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCO2 12984770 VMVAVENQYKBFHC-UHFFFAOYSA-N 402.859 4.596 0 40 HJAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1Sc1ccc(Cl)cc1 13137817 YEOFPXJLLFMBNX-UHFFFAOYSA-N 422.893 4.726 0 40 HJAB COc1cccc(NC(=O)[C@H](Sc2nnc(-c3ccco3)n2C)c2ccccc2)c1 13165377 PTZHNCBZBJLKBG-LJQANCHMSA-N 420.494 4.556 0 40 HJAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(C(F)(F)F)c1 14129736 VLOYZNPAPXTQDS-GXTWGEPZSA-N 410.823 4.589 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1C 15882217 FSSVGCRFIUBGHN-UHFFFAOYSA-N 422.554 4.552 0 40 HJAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 20144674 WBDQWYVKGSVVDD-QMMMGPOBSA-N 418.660 4.760 0 40 HJAB Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 20241991 DTEPXQVXWAKXEY-UHFFFAOYSA-N 419.550 4.500 0 40 HJAB COc1ccc(CN(C(=O)C2=C(c3ccccc3)SCCO2)c2ccccn2)cc1 20729023 HWXOVNMYVXIOLR-UHFFFAOYSA-N 418.518 4.756 0 40 HJAB CCN(Cc1ccccc1)C(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C 23949313 LANRWKQTHKEOEG-UHFFFAOYSA-N 423.582 4.583 0 40 HJAB CC(C)c1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 27581490 MTBAVJLIJUKCOW-JOCHJYFZSA-N 400.950 4.796 0 40 HJAB Cc1cccc2c(=O)cc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)oc12 32622506 UKSVGPNXOSNZTJ-UHFFFAOYSA-N 404.491 4.731 0 40 HJAB CCCC(=O)N1c2ccccc2-c2nnc(SCC)nc2O[C@@H]1c1ccsc1 36245342 DONZDTJIBCTYJO-LJQANCHMSA-N 412.540 4.936 0 40 HJAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(Br)c(C)c3)CC2)cc1 39753413 YBVMSPIFGBXAAZ-UHFFFAOYSA-N 401.348 4.917 0 40 HJAB Cc1cc([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)c(C)s1 40080818 TWQHTGBIUNKDGJ-DNVCBOLYSA-N 412.580 4.645 0 40 HJAB Cc1ccccc1NC(=O)Cc1nc(COc2ccc3c(C)cc(=O)oc3c2)cs1 40161664 RHBCESYOAKPUQQ-UHFFFAOYSA-N 420.490 4.627 0 40 HJAB CC(=O)Nc1ccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc23)cc1 49005304 UMXAWSRXCXQZGU-INIZCTEOSA-N 417.513 4.655 0 40 HJAB Cc1ccc(-c2noc(-c3nn(-c4ccc(F)cc4)c(=O)c4ccccc34)n2)cc1C 64950000 YORSDQPXOROEOL-UHFFFAOYSA-N 412.424 4.859 0 40 HJAB O=C(Nc1ccccc1SC1CCCC1)N[C@@H](Cn1cncn1)c1ccccc1 65622804 DAQGMAZRVKVPOC-FQEVSTJZSA-N 407.543 4.876 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C)c(F)c3)oc12 67293603 JKISSCLHZFOJND-RWEWTDSWSA-N 403.413 4.769 0 40 HJAB Cc1cccc2c1cnn2CCC(=O)NCc1nc(-c2ccc(Cl)cc2)cs1 72243353 SOYXTVMGRYIKDT-UHFFFAOYSA-N 410.930 4.828 0 40 HJAB CCc1onc(C)c1-c1nc(NCc2ccc(OC)cc2)ncc1-c1ccncc1 72342941 YSBWJOAKOIQPRV-UHFFFAOYSA-N 401.470 4.685 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72358202 KRRDIHQZCWZKEI-QHCPKHFHSA-N 408.448 4.693 0 40 HJAB C[C@@H](N[C@H](C)c1ccc(-n2ccnc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 95350716 ORJHHNSALVKOQC-ZIAGYGMSSA-N 403.313 4.857 0 40 HJAB Cc1ccc(CN[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)c(N2CCCC2)c1 95462830 KPTRBOXTKNZMMU-QHCPKHFHSA-N 405.586 4.673 0 40 HJAB COc1ccc(-c2csc(C3=C(O)CN(Cc4cccs4)C3=N)n2)cc1OC 102731808 LYKKNLBFAVITQY-UHFFFAOYSA-N 413.524 4.651 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc(Br)cc1 219689174 JKNCIYPTYHJKSU-KSSFIOAISA-N 418.331 4.943 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(N(C)C)cc1 222975065 PBCWRHUYGRIPPB-PKTZIBPZSA-N 419.598 4.711 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(CC)cc1 225158007 WXHLZKMKVYSVOO-XMMPIXPASA-N 408.586 4.824 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 225515690 YCMCGYDSBLCRHZ-JTHBVZDNSA-N 424.585 4.713 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 225655983 GVABHRQYKATOHW-WMZHIEFXSA-N 412.549 4.789 0 40 HJAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccccn2)cc1 248181869 DWDXWLLKTYUBGC-URXFXBBRSA-N 401.466 4.731 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccn(-c4ccc(OC)cc4)c3)N21 260759285 FQVHLDJHDHTFCU-YHYVQYDKSA-N 404.539 4.860 0 40 HJAB COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1NC(=O)c1ccccc1C 408559368 WQWAFGUGHINZOW-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(Cl)cc2)cc1Cl 409099890 MPWZLUCFLSKKJH-UHFFFAOYSA-N 407.326 4.922 0 40 HJAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCc1ccc(-c2ccsc2)o1 575611878 ZJRBETWANXRYEV-UHFFFAOYSA-N 401.431 4.647 0 40 HJAB Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1cn(C)nc1-c1ccccn1 675580949 QFFMYURDAQZHRR-UHFFFAOYSA-N 415.931 4.881 0 40 HJAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 2037846001 KQMFLJPCXCIQRH-GOSISDBHSA-N 403.457 4.906 0 40 HJAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)c(C)c1 644587 RBQKOXADNFYJRG-UHFFFAOYSA-N 412.599 4.862 0 40 HJAB COc1ccc(C(=O)Nc2cc(OC)c(NC(=O)Nc3ccccc3)cc2OC)cc1 1324413 QEJPAAOUSBFJET-UHFFFAOYSA-N 421.453 4.609 0 40 HJAB CC[C@H](c1ccc(OCc2ccccc2)cc1)c1cc2c(cc1OCCO)OCO2 1582484 OJDWFQBMFKVZOP-OAQYLSRUSA-N 406.478 4.907 0 40 HJAB CSc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1 2427523 YKRBEEJVABSCRQ-OAQYLSRUSA-N 423.534 4.875 0 40 HJAB FC(F)[C@@H]1C[C@H](c2ccccc2)Nc2c(-c3nc4c5ccccc5ncn4n3)cnn21 2806317 YSZSLBOOIXMFIT-MSOLQXFVSA-N 417.423 4.504 0 40 HJAB CCCCSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1CCCC 4087521 XPACRLHEYCRWIT-UHFFFAOYSA-N 404.624 4.803 0 40 HJAB CCOc1ccc(C(=O)N2CCN=C2SCc2ccccc2Cl)cc1OCC 4120269 MIMBBUSFBOHWRY-UHFFFAOYSA-N 418.946 4.883 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)[C@H]1COc2ccccc2O1 4224318 VCODYGBXEWLKMG-MRXNPFEDSA-N 407.278 4.895 0 40 HJAB Cc1ccc(-c2nc(CCNC(=O)c3ccc(Br)cc3)cs2)cc1 4570747 RIRHIWOATZUDLO-UHFFFAOYSA-N 401.329 4.854 0 40 HJAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)sc(C)c1C 4576672 QXMSRGXXOOWLSK-VIFPVBQESA-N 402.299 4.864 0 40 HJAB Cc1ccc(SCCC(=O)N(CCN(C)C)c2nc3ccc(F)cc3s2)cc1 4585256 ZSZSIBUVZVYJRT-UHFFFAOYSA-N 417.575 4.821 0 40 HJAB COc1cc(CNCCc2ccc(F)cc2)ccc1OCc1ccc(Cl)nc1 4670896 XZZZUXWKCGOUDZ-UHFFFAOYSA-N 400.881 4.794 0 40 HJAB Cc1ccc(C(=O)Nc2cc3c(cc2C(=O)c2ccccc2Cl)OCCO3)cc1 4703355 RNXVJFNPNKCHIX-UHFFFAOYSA-N 407.853 4.903 0 40 HJAB O=C(CN1c2ccccc2Sc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 4749531 LGWHPWCVGAWTEW-UHFFFAOYSA-N 419.525 4.777 0 40 HJAB Cc1cccc(NC(=O)N(Cc2ccc(F)cc2)Cc2nc3ccccc3c(=O)[nH]2)c1 5626105 RCLLGFVKNTZYPP-UHFFFAOYSA-N 416.456 4.605 0 40 HJAB COc1cc(-c2cc(C(=O)OCc3ccco3)c3ccccc3n2)cc(OC)c1OC 5783094 RDJPTQHQLWGKFZ-UHFFFAOYSA-N 419.433 4.878 0 40 HJAB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1 6073842 QPVSHBXZKKSHAC-UHFFFAOYSA-N 418.478 4.579 0 40 HJAB Cc1nc2scc(-c3ccccc3)c2c(=O)n1CC(=O)N(c1ccccc1)C(C)C 6082870 VZLMKENNSJWJSU-UHFFFAOYSA-N 417.534 4.875 0 40 HJAB Cc1nnc(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)n1-c1ccccc1 6110597 QPIJMSCMYPNRPC-LBPRGKRZSA-N 406.433 4.714 0 40 HJAB CC(C)Oc1cccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c1 6364798 RYFVCNAFNYJMTK-UHFFFAOYSA-N 400.434 4.527 0 40 HJAB COc1ccccc1N1CC(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccsc2)C1=O 6662498 PZHOSLDDHIEBFL-FQEVSTJZSA-N 412.898 4.531 0 40 HJAB Cc1cc(C)cc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1 6752570 XYRHZTHBUIYLGE-UHFFFAOYSA-N 419.569 4.971 0 40 HJAB aggregator CCN(c1ccc(NC(=O)CNCCCSc2ccc(F)cc2)cc1)C(C)C 6910516 FGPDNOCWUNDGFP-UHFFFAOYSA-N 403.567 4.771 0 40 HJAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3ccccc3F)sc2n1 7604200 LBFGXYNGBBUVPE-UHFFFAOYSA-N 402.520 4.795 0 40 HJAB O=C(CN1CC=C(c2ccccc2)CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 7647390 SMTQTPHCXLFJLP-NRFANRHFSA-N 417.578 4.792 0 40 HJAB CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCC(C)CC1 8395225 UJSGWLGJKCOENT-UHFFFAOYSA-N 414.571 4.879 0 40 HJAB CCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)cc1 8540431 ONLSBJQMINWKRT-UHFFFAOYSA-N 402.450 4.500 0 40 HJAB Cc1ccccc1CN1CCC(C(=O)NCCSCc2ccccc2Cl)CC1 9062890 WTXPCEDPSXBHBM-UHFFFAOYSA-N 417.018 4.910 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(F)cc1F 9663830 YKDIIDRVUNLNDY-UHFFFAOYSA-N 422.460 4.943 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2C)cc1 10060283 NJIPMGIWEREARI-RPWUZVMVSA-N 424.504 4.976 0 40 HJAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 10314693 VAHPXKUPBZKDCM-UHFFFAOYSA-N 408.523 4.676 0 40 HJAB O=C(COc1ccc(Br)cc1)N1CCC(c2c[nH]c3ccccc23)CC1 10881551 UFTSJJIZMXMGEH-UHFFFAOYSA-N 413.315 4.715 0 40 HJAB COCCn1c(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc21 11490315 AWTBUJGPFVSGOC-ZDUSSCGKSA-N 423.460 4.821 0 40 HJAB Cc1cccc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 12357368 KEBRSBCFHJMGCG-NRFANRHFSA-N 418.518 4.622 0 40 HJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCCCN1C(=O)c1cccs1 12735725 MEOFTXCDIKCDJW-ZDUSSCGKSA-N 414.861 4.636 0 40 HJAB FC(F)(F)c1cccc(-c2noc(CN3CCN(c4cccc(Cl)c4)CC3)n2)c1 12990724 JPDQEECEAQMCFO-UHFFFAOYSA-N 422.838 4.731 0 40 HJAB O=C(Nc1ccccc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 13686783 DXGOCKUYFYQXJH-UHFFFAOYSA-N 407.464 4.904 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)sc2c1CCCC2 13710638 KZOICQUNBYNYDR-OAHLLOKOSA-N 401.528 4.826 0 40 HJAB O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(-c2ccccc2)cc1 13735389 JUSRKOSNXUBIIL-UHFFFAOYSA-N 407.473 4.931 0 40 HJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 14013536 DVJMTKGGERQSNW-HSZRJFAPSA-N 402.494 4.721 0 40 HJAB CCOc1cc(C(=O)NCCSc2ccc(C)cc2)cc(Br)c1OC 14119434 JVHFIPOCAJYHQS-UHFFFAOYSA-N 424.360 4.687 0 40 HJAB O=C(COc1ccccc1-c1ccccc1)NC1CCN(Cc2ccccc2)CC1 14201933 DGNJIXMKLIGMEV-UHFFFAOYSA-N 400.522 4.513 0 40 HJAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1 14399826 RZUVEWGSKHFTKU-UHFFFAOYSA-N 420.896 4.660 0 40 HJAB CCCCn1c(SCc2nc(-c3cccc(C)c3)no2)nc2ccsc2c1=O 16843271 GTLWNKXAXRWHLL-UHFFFAOYSA-N 412.540 4.909 0 40 HJAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CCN(Cc2cccc(F)c2)CC1 19236866 SLDJRGVDKUEZCK-VWLOTQADSA-N 417.528 4.912 0 40 HJAB O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 19370368 DEONCXUXOAKGMU-BKMJKUGQSA-N 417.528 4.533 0 40 HJAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCCN3C3CCCCC3)nc2C)c1 19754008 IMLZWJFFYOEKKQ-QHCPKHFHSA-N 422.573 4.583 0 40 HJAB CCc1cccc(C)c1NC(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1CC 19911121 KXEJDJQPIYRUGQ-UHFFFAOYSA-N 400.429 4.554 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)c4ccccc4Cl)cc3n2)cc1Cl 20610712 VZFZMRUSZBKCTE-UHFFFAOYSA-N 413.264 4.988 0 40 HJAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1c[nH]c2ccccc12 23080707 PSSKJZYINFYAEH-UHFFFAOYSA-N 408.889 4.853 0 40 HJAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 23138912 XSFOEABTALYLJR-MRXNPFEDSA-N 423.538 4.839 0 40 HJAB c1ccc(Sc2nc(Sc3ccccn3)nc(Sc3ccccn3)n2)nc1 28952873 QHRZUPLQUGKCQP-UHFFFAOYSA-N 408.537 4.510 0 40 HJAB CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 30012923 BVUQXWHMAQHJHI-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)Cc2nc(-c3cccs3)oc2C)cc1OCC 32900175 BWELWHUXWKJOLB-CQSZACIVSA-N 414.527 4.929 0 40 HJAB COc1ccc(C)cc1NC(=O)CSc1nc2cccnc2n1-c1ccc(F)cc1 35289343 DJWQFRJXIVKPLU-UHFFFAOYSA-N 422.485 4.607 0 40 HJAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC(Cc2ccccc2)CC1 38500848 CPIOVSPWOIBIPK-UHFFFAOYSA-N 421.516 4.895 0 40 HJAB C[C@@H](Sc1nncs1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 42204932 MSUVFIZTJJHJLP-ZCFIWIBFSA-N 401.357 4.695 0 40 HJAB CCOc1ccc(CCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 44851433 SIRLMHAQDBIMJV-UHFFFAOYSA-N 414.977 4.700 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1cccc3c1OCCO3)CC2 48325816 WWQUGFPZOYYJQR-HSZRJFAPSA-N 423.534 4.684 0 40 HJAB Cc1ccc2nc(CNc3ccccc3NC34CC5CC(CC(C5)C3)C4)cc(=O)n2c1 58175545 USGUOZRTUXHSEZ-UHFFFAOYSA-N 414.553 4.996 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H](C(=O)N1CCCCC1)c1ccccc1 58297585 MYZCAWKLSUJJHP-SFHVURJKSA-N 405.420 4.581 0 40 HJAB O=C(Nc1nnc([C@H]2CCCO2)s1)c1sc(-n2cccc2)nc1-c1ccccc1 61721268 PWJVIUXTJDBEKA-CQSZACIVSA-N 423.523 4.556 0 40 HJAB C[C@@H]1CN(c2ccc(NC(=O)NCCSCc3cccs3)cc2F)C[C@@H](C)O1 65588858 ODYNZNIACAWDDL-HUUCEWRRSA-N 423.579 4.556 0 40 HJAB O=C1C[C@H](O)C[C@H](/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)O1 65748472 XJVKVAFYQRWVAJ-VVZAMHAXSA-N 403.453 4.998 0 40 HJAB in-vitro Cc1ccc(-c2nc(C)c(C(=O)N[C@H](c3ccc(F)cc3)[C@H]3CCCO3)s2)o1 69487031 LEGXYXKZDBLUJC-SJLPKXTDSA-N 400.475 4.809 0 40 HJAB CC(=O)N1CCC(NC[C@@H]2C=C(C)[C@H](Cc3nc4ccccc4[nH]3)C[C@H]2C(C)C)CC1 72320801 FHDZKMSVUNEOGP-FUDKSRODSA-N 422.617 4.561 0 40 HJAB biogenic,in-vitro Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c(C)c1 98072979 WWHKRLBNCOZVHJ-UHFFFAOYSA-N 408.239 4.886 0 40 HJAB CCCC[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 101083380 HKJYIXSCILEBFO-OTWHNJEPSA-N 419.308 4.862 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 138749343 BDZDFSHEUZJMQI-NSHDSACASA-N 416.688 4.904 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=S)SCC(=O)Nc1ccc(OC(F)(F)F)cc1 215716189 DZCGZWACRAAWPY-RYUDHWBXSA-N 406.495 4.805 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 223360027 PPLGSZLJADUEHL-HXUWFJFHSA-N 418.940 4.744 0 40 HJAB O=C(NC[C@H]1COc2ccccc2O1)/C(=C/c1ccccc1Cl)c1ccccc1 225237764 JXHARDJPIUUYJC-XPFMCRKWSA-N 405.881 4.837 0 40 HJAB CCCC(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(=O)NCC)CC1 257320878 VZABKJSBIYIPKW-UHFFFAOYSA-N 410.533 4.580 0 40 HJAB CC(C)(C)c1ccccc1NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408708194 HJDWCLRQOVHYQP-UHFFFAOYSA-N 400.522 4.871 0 40 HJAB COc1ccc2c(c1)N(C(=O)c1cnccn1)C(C)(C)c1ssc(=S)c1-2 408735362 OOEIVIBGKKXGON-UHFFFAOYSA-N 401.538 4.900 0 40 HJAB COc1cccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 409067147 JNWXEYIHUGQSCK-UHFFFAOYSA-N 414.505 4.853 0 40 HJAB O=C(Nc1cccc(F)c1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 409173410 MJMCZMCDSOHWBK-XMMPIXPASA-N 420.509 4.895 0 40 HJAB Cc1ccc(NC(=O)CCSc2ccc(F)cc2)cc1NC(=O)c1ccncc1 520065666 QIGWBCSSHSCZEF-UHFFFAOYSA-N 409.486 4.902 0 40 HJAB O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(Cl)cc1Cl 633611 CQWCZKKNYNJFOQ-INIZCTEOSA-N 405.064 4.713 0 40 HJAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccnc3Cl)c2C(N)=O)C1 671541 GOSUHGZTTZFWTE-LLVKDONJSA-N 405.951 4.689 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)c1 687635 GXSLYEJHTGGXEW-UHFFFAOYSA-N 410.543 4.557 0 40 HJAB Cc1ccccc1C(=S)Nc1sc2c(c1C(=S)N1CCOCC1)CCCC2 709895 XHRXBORNMLMLAM-UHFFFAOYSA-N 416.637 4.731 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 781480 ODGULVQRPJQRIC-UHFFFAOYSA-N 420.460 4.638 0 40 HJAB Cc1cc2cc(CN(Cc3ccccc3)C(=S)NCC(C)C)c(=O)[nH]c2cc1C 878741 RTYMRAVRSRDESX-UHFFFAOYSA-N 407.583 4.678 0 40 HJAB COc1ccc(NC(=O)CSc2nnc3c(C)cc4ccc(C)c(C)c4n23)cc1 903119 LIQZVKWUSKKNEA-UHFFFAOYSA-N 406.511 4.547 0 40 HJAB CC(C)c1nc2ccccc2c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n12 1327745 BTRFCCJHDOEJBZ-UHFFFAOYSA-N 411.918 4.785 0 40 HJAB CCOC(=O)CCc1c(C)c2ccc(O[C@@H](C)C(=O)c3ccccc3)c(C)c2oc1=O 2137467 GNIZQQLYHIOWKE-KRWDZBQOSA-N 422.477 4.556 0 40 HJAB biogenic Cc1ccc(-c2c(NC(=O)c3ccco3)n(-c3ccc(C)c(C)c3)nc(C)c2=O)cc1 2196025 YLYRDWDTCCYTNN-UHFFFAOYSA-N 413.477 4.978 0 40 HJAB CC(C)Cn1c(N)c(C(=O)N[C@@H](C)CCc2ccccc2)c2nc3ccccc3nc21 2377861 ZAUDYRFZQFMSRL-KRWDZBQOSA-N 415.541 4.574 0 40 HJAB CC(C)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2421075 KIWVVNZGWKXGME-AVRDEDQJSA-N 421.468 4.780 0 40 HJAB CCOc1ccccc1N1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc(Br)cc12 2468523 PXCXJWJBYLPZFT-AUUYWEPGSA-N 403.276 4.617 0 40 HJAB CC(=O)Nc1ccc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1 2618573 BDOVRKUJKAHILT-UHFFFAOYSA-N 422.554 4.859 0 40 HJAB O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)NCc1cccs1 3248161 CSONTBUSAMTPSD-UHFFFAOYSA-N 414.533 4.560 0 40 HJAB CC[C@@H](NC[C@@H](O)COCc1ccccc1Cl)c1ccc(Br)cc1 3441523 COPLWPMLFGPMNU-IEBWSBKVSA-N 412.755 4.721 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc2ccccn12)c1ccccc1 3496169 GEVDDXSPLOTTKQ-HXUWFJFHSA-N 404.495 4.518 0 40 HJAB CCCCOc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)cc1 4166871 FCEJUNZFGASDGR-UHFFFAOYSA-N 416.568 4.510 0 40 HJAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 4244394 KDMDQOFNNSFQLI-KRWDZBQOSA-N 424.545 4.626 0 40 HJAB Cc1cc(C)c2sc(N(CCN(C)C)C(=O)c3nc4ccccc4s3)nc2c1 4359403 APOXGSGEWBPVHH-UHFFFAOYSA-N 410.568 4.731 0 40 HJAB CCOc1cccc2c1O[C@H](c1ccc(OC)cc1)N1N=C(c3cccnc3)C[C@H]21 4540137 SKTKKIDETZOUTP-ZJSXRUAMSA-N 401.466 4.731 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 4585456 PBSVUMWMVYDULJ-UHFFFAOYSA-N 403.869 4.529 0 40 HJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Br)cc2C(=O)O)cc1 4600292 UWXQYAXWSNBOTL-GFCCVEGCSA-N 406.276 4.678 0 40 HJAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc1 4703871 RJHRGLSNCADFJW-UHFFFAOYSA-N 405.523 4.588 0 40 HJAB CC(C)[C@@H](c1nnnn1CCc1ccccc1)N1CCC(Cc2ccccc2)CC1 4860144 SDEFVGIGMBCMRP-DEOSSOPVSA-N 403.574 4.568 0 40 HJAB COCCN(Cc1cc2cc(C)c(C)cc2nc1Cl)C(=O)c1ccccc1F 4880966 SAXKDFIRRILZGY-UHFFFAOYSA-N 400.881 4.933 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(c1nc(C)cs1)C3=O 5155915 VJDRZOQHDLTFJQ-GOSISDBHSA-N 406.438 4.755 0 40 HJAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)[C@@H]1C 6586025 PDMKLCHUTQOBRW-GPMSIDNRSA-N 414.619 4.813 0 40 HJAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC(C)CC2)[C@@H]1c1cccs1 6875761 HUKMFXZLYHHHSR-YADHBBJMSA-N 410.583 4.943 0 40 HJAB CCn1c(COc2ccccc2)nnc1SCC(=O)c1cn(CC)c2ccccc12 7458999 NIHLHYDFGPHHDE-UHFFFAOYSA-N 420.538 4.827 0 40 HJAB Fc1ccc(OCc2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)cc1 8184112 ZXIQKPHSFNOBNG-UHFFFAOYSA-N 402.520 4.957 0 40 HJAB CCC[C@H](NC(=O)COC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1 8332560 TZCIZROCXQGTMO-IBGZPJMESA-N 415.580 4.980 0 40 HJAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1 8726272 MCFFFMKMZCRQFN-UHFFFAOYSA-N 408.885 4.765 0 40 HJAB O=C(Cn1c(=O)sc2ccccc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 9130041 CKUGEKPCNJRIGS-UHFFFAOYSA-N 420.334 4.739 0 40 HJAB Cn1c(SCC(=O)Nc2cccc3c2CCCC3)nnc1-c1cc2ccccc2o1 10681767 KPGUJCFNUWZOAW-UHFFFAOYSA-N 418.522 4.838 0 40 HJAB Cc1sc2nc(S[C@H](C)C(=O)NC(C)(C)C)n(C3CCCC3)c(=O)c2c1C 12788001 SMGCQLNSQVBNKZ-CYBMUJFWSA-N 407.605 4.585 0 40 HJAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@@H](C)c1ccccc1Br 12910731 DJQBMAYWASDYRW-NSHDSACASA-N 407.333 4.659 0 40 HJAB Cc1cc(F)ccc1N[C@H](CNS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 13133820 BNWPVMAOBUZKHE-QGZVFWFLSA-N 424.950 4.981 0 40 HJAB CCc1ccc([C@H](NC(=O)C[C@@](O)(c2ccco2)C(F)(F)F)c2cccs2)cc1 14241809 SWRUIGICNWFVBI-VQTJNVASSA-N 423.456 4.949 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 15746641 SFVLIEZTBJKXKQ-XNYCMSQESA-N 411.310 4.802 0 40 HJAB CC(C)Cn1nc(NS(=O)(=O)c2ccc(Cl)cc2)c2cc3ccccc3nc21 16996502 OQZQGPIWHSKTSI-UHFFFAOYSA-N 414.918 4.695 0 40 HJAB Cc1cnccc1CN1CCC[C@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 19239518 PNHAIGLWJIJXJO-KRWDZBQOSA-N 417.479 4.955 0 40 HJAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@H](C)c1ccc(Br)cc1 20030029 RDDYTFOVLDKZFO-CYBMUJFWSA-N 412.349 4.621 0 40 HJAB COc1cccc(O[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1 20104673 GLDLQMYOBDZEJF-ZDUSSCGKSA-N 414.354 4.819 0 40 HJAB O=C(OC1CCCCC1)c1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1 20412225 HKRHFBHPMZNTJH-UHFFFAOYSA-N 416.930 4.956 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 20436486 YYICNUDKQDKVAD-OAHLLOKOSA-N 407.266 4.540 0 40 HJAB O=C([C@H]1Cc2ccccc2S1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 21439813 BHLIRMSWPNJVJD-OAQYLSRUSA-N 409.532 4.770 0 40 HJAB COc1ccc(-c2nc(CSc3nc(O)cc(-c4ccncc4)n3)c(C)o2)cc1 23126202 CWOPCVDWPWZFHN-UHFFFAOYSA-N 406.467 4.509 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COc2ccccc2C(C)(C)C)CC1 23211963 GJCDBYCIOZKNCB-FQEVSTJZSA-N 416.993 4.508 0 40 HJAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccccc1Nc1ccccc1 24191519 FEIDMJIISCIEHF-UHFFFAOYSA-N 401.510 4.539 0 40 HJAB Cc1cccn2c(NC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)c(-c3ccccc3)nc12 25905200 BZNKKIKZVNHCMB-GOSISDBHSA-N 414.440 4.513 0 40 HJAB C[C@@H](Sc1nc2ccccc2n1C(F)F)c1nc(N)nc(Nc2ccccc2)n1 25983896 MQMICYXSALYTNJ-LLVKDONJSA-N 413.457 4.796 0 40 HJAB O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 35170207 SRXDPNQHBCDORP-RGEXLXHISA-N 403.821 4.904 0 40 HJAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 36393999 DWYUIXANAMYTFD-STQMWFEESA-N 421.324 4.987 0 40 HJAB Cc1nc(CSCCC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cs1 36394968 OYMHXRBKWQMKOB-NSHDSACASA-N 404.479 4.851 0 40 HJAB Cc1ccc(Sc2ccc(NC(=O)N3CCN(C(=O)C4CC4)CC3)cc2)cc1C 48373943 CPCQVXKSXQWXJT-UHFFFAOYSA-N 409.555 4.541 0 40 HJAB COc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 59267884 OVXQNBHCAKHLFN-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB O=C(Nc1ccccc1SC1CCCC1)N[C@H](Cn1cncn1)c1ccccc1 65622803 DAQGMAZRVKVPOC-HXUWFJFHSA-N 407.543 4.876 0 40 HJAB CSc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c1 67298042 WAYVJUNEXQNJJO-QOCHGBHMSA-N 409.492 4.802 0 40 HJAB COc1ccccc1OCCNC(=O)c1sc(Nc2ccc(C)cc2C)nc1C 71326671 GLJWTPRHKVUEFJ-UHFFFAOYSA-N 411.527 4.629 0 40 HJAB COc1ccc(C)cc1-c1csc(CN2CCC(NC(=O)OC(C)(C)C)CC2)n1 72273305 KQJJCPWKLAJKCP-UHFFFAOYSA-N 417.575 4.616 0 40 HJAB Cc1cc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(C)o1 84081621 GWHIXRGSKCXAHQ-SGTLLEGYSA-N 409.313 4.685 0 40 HJAB O=C(NCc1ccccn1)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1 96154370 GAWIYAWFEINCRY-UHFFFAOYSA-N 402.435 4.536 0 40 HJAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1)NC12CC3CC(CC(C3)C1)C2 100419912 GABXTSZTXMEAEK-XMLQSWANSA-N 413.631 4.902 0 40 HJAB COc1cccc(CC(=O)Nc2c(NCc3ccccc3)c3ccccc3oc2=O)c1 101094725 JANAHFAFHXUZGC-UHFFFAOYSA-N 414.461 4.595 0 40 HJAB C[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 115127511 IXUNXGMHGXDDAF-GFCCVEGCSA-N 412.338 4.875 0 40 HJAB O=C(Nc1ccccc1F)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 216359404 ZGTSCNPOWQLHHX-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 222672585 YDPGMBCQYAOOFG-IBGZPJMESA-N 424.585 4.695 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)(C)CC(C)(C)C)c2)cc1 224074978 SSUZJSLIWNVWQI-UHFFFAOYSA-N 402.560 4.740 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 224545331 NNZAGUFCXQYQDR-DEOSSOPVSA-N 424.585 4.768 0 40 HJAB CCOC(=O)c1c(NC(=O)CCc2ccc(OC)c(C)c2)sc2c1CCCC2 224672515 FGDASUZGECKYFC-UHFFFAOYSA-N 401.528 4.692 0 40 HJAB CCc1cccc(CC)c1N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O 224827065 UXDSEXRZZCVEIM-UHFFFAOYSA-N 424.651 4.689 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 225476856 RSDVZDJZCZDPLF-LAUBAEHRSA-N 400.950 4.605 0 40 HJAB O=C(O)c1ccc(-c2ccc(Cl)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)o1 226353226 XOACCHNKJHXBQI-UHFFFAOYSA-N 412.250 4.752 0 40 HJAB CCC[C@H](CC(=O)O)c1c(OC)c(CC=C(C)C)c(O)c2c1O[C@H](C)[C@@H](C)C2=O 229764287 UDVTWMLZUGXNQM-RBSFLKMASA-N 404.503 4.868 0 40 HJAB biogenic,in-vitro CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 257279460 OGTKNKVFMQYXSH-RDPSFJRHSA-N 418.581 4.686 0 40 HJAB Fc1ccccc1Cc1cccc([C@H]2CN(Cc3cccc4ncccc34)CCO2)n1 257294525 QUOBHGGPTDYLJI-AREMUKBSSA-N 413.496 4.933 0 40 HJAB O=C(O)c1ccc(-c2ccc(CN3CCC[C@@H]3c3nc4ccccc4[nH]3)o2)cc1O 257339524 ZCBVRHJQYWDKFH-LJQANCHMSA-N 403.438 4.564 0 40 HJAB CC(C)CSc1nnc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)s1 260747088 ZXBBEWJFRCQPFW-HNNXBMFYSA-N 404.605 4.770 0 40 HJAB Cc1ccc(N(CC(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)cc1C 408619262 LKAZZZGBTBVNKG-UHFFFAOYSA-N 424.522 4.500 0 40 HJAB CCCCCCC1=NN(C(=O)CSCc2ccccc2)[C@](O)(C(F)(F)F)C1 409354715 BKIZRRXVKPFACL-GOSISDBHSA-N 402.482 4.729 0 40 HJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 613377827 VSTZEPDRIZFBNT-IRXDYDNUSA-N 420.384 4.629 0 40 HJAB Cc1ccc(-c2nc3c4ccccc4n(Cc4c(C)cc(C)cc4C)c(=O)n3n2)cc1 1775966417 CMEPQQYBVXDPIH-UHFFFAOYSA-N 408.505 4.993 0 40 HJAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)NCc3ccco3)C3CCCC3)cc2c1 931506 QWNQQMIILOFSMX-UHFFFAOYSA-N 409.555 4.557 0 40 HJAB O=S(=O)(NCc1cc(-c2ccccc2)no1)c1cc(Cl)c(Cl)cc1Cl 1398141 FMVMAMLPNTVVGL-UHFFFAOYSA-N 417.701 4.780 0 40 HJAB COc1cc(C=O)cc(Br)c1OCc1ccc(Br)cc1 1438149 PWYDJNWOOMBPEZ-UHFFFAOYSA-N 400.066 4.612 0 40 HJAB CC[C@@H](C)COC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 2343448 SLPFSTHGGOCKAR-CQSZACIVSA-N 406.461 4.557 0 40 HJAB COc1ccc(/C=c2/sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 2350946 BBDIGXVOROOTTB-LTGZKZEYSA-N 410.498 4.646 0 40 HJAB CSc1nc(SCC(=O)O)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 2406613 AXKCAKSKHGYFQK-UHFFFAOYSA-N 419.597 4.825 0 40 HJAB O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccc(F)cc1 2488860 ACLLGNFXMHFVLU-DEOSSOPVSA-N 423.871 4.529 0 40 HJAB CCC[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3OC)c2C(N)=O)C1 2762758 IPYLBHBEZHYORA-LLVKDONJSA-N 406.935 4.666 0 40 HJAB CCCCN(C)C(=O)CSc1nc(NCc2ccc(OC)cc2)c2ccccc2n1 2948821 WOFDPTADXVJQFL-UHFFFAOYSA-N 424.570 4.601 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl 3237645 XVNXLDQZDUNYJD-UHFFFAOYSA-N 416.688 4.824 0 40 HJAB Cc1nc(SCC(=O)Nc2ccc(OC(F)F)cc2)c2c3c(sc2n1)CCC3 3294229 WDRWLGHVXCSNIB-UHFFFAOYSA-N 421.494 4.821 0 40 HJAB CCc1nnc(NC(=O)[C@@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)s1 3298981 ACLYFAGKHWVCRQ-ZDUSSCGKSA-N 406.861 4.848 0 40 HJAB CSc1nnc(CNC(=O)c2cccc3ccccc23)n1-c1cccc(Cl)c1 4059361 ATZRDIWTHQAADP-UHFFFAOYSA-N 408.914 4.726 0 40 HJAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CCCC2)cc1OC 4353960 FDXQXSHIXYARPM-UHFFFAOYSA-N 408.454 4.831 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)CCC(=O)NCc3cccs3)ccc21 4599982 ZXYWHTYBMGXCOG-UHFFFAOYSA-N 405.523 4.911 0 40 HJAB COc1ccc(CN(CC[C@]2(c3ccccc3)C[C@H](C)N(C)C[C@H]2C)C(C)=O)cc1 4785552 UCRIIXJATPHSML-SWYRRKHMSA-N 408.586 4.732 0 40 HJAB Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc(Cl)cc1)SCC(=O)N2 5047155 QIRBGZKVSKCRII-QAPCUYQASA-N 405.951 4.750 0 40 HJAB CCOc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(OC)c2OC)cc1 5256255 ROKWBMJNFVWBGP-QFIPXVFZSA-N 421.497 4.541 0 40 HJAB C=C1c2cc3c(cc2CCN1C(=O)C1(c2ccc(F)cc2)CCCC1)OCCCO3 5421598 PDYHZFDLYNIIQZ-UHFFFAOYSA-N 407.485 4.854 0 40 HJAB CCCCCCC(=O)C[C@H](SC[C@H](NC(C)=O)C(=O)O)c1ccccc1Cl 5618937 QSKPZKQBDISPJO-OALUTQOASA-N 413.967 4.633 0 40 HJAB O=C(O)CSCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 5899261 GOTAKHNDELATSL-UKYPWNJISA-N 420.534 4.627 0 40 HJAB COc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1Br 6239220 GCLWDUAZGUNPNP-UHFFFAOYSA-N 407.333 4.708 0 40 HJAB COc1ccc(C)cc1-n1c(SCC(=O)c2ccc[nH]2)nnc1-c1cccs1 6331687 PHATVSHJEFGELG-UHFFFAOYSA-N 410.524 4.616 0 40 HJAB Cc1cccc(N(Cc2ccccc2)C(=O)CCCn2c(=O)oc3ccccc32)c1 6849963 XHBMZLGRDHZXFZ-UHFFFAOYSA-N 400.478 4.917 0 40 HJAB CCOc1cc2c(cc1[C@H]1Nc3ccccc3C(=O)N1Cc1ccco1)O[C@@H](C)C2 7112961 HCFKAGUULIOCIM-WNSKOXEYSA-N 404.466 4.768 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)cc1 7193629 DPZWVPRSKVNCDJ-UHFFFAOYSA-N 403.891 4.595 0 40 HJAB COc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCS2)cc1OC 7276047 LQMMVOXPXSHUPH-UHFFFAOYSA-N 404.919 4.539 0 40 HJAB O=C(CN1CCC[C@H]1c1cccs1)N1CCC(c2nc3ccccc3s2)CC1 7362922 FGUAVANDUYNGHL-SFHVURJKSA-N 411.596 4.901 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1C1CC1 7799234 KZMQUICVYJXFRO-AWEZNQCLSA-N 403.511 4.828 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c(C)c1[C@H]1Nc2ccccc2C(=O)N1C1CC1 7886356 DCSTUBAYPLYMTE-QFIPXVFZSA-N 406.917 4.931 0 40 HJAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnnn1C1CCCC1)c1ccccc1 8075187 NLPOBQWWCWPYLJ-NRFANRHFSA-N 403.511 4.986 0 40 HJAB Cc1cccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2ccc(Cl)cc2)c1 8476796 XGZRVKJBNFLYOW-UHFFFAOYSA-N 402.885 4.826 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 8810041 ACFXHELDHWARAE-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(COc2ccccc2Cl)o1 9130586 ZQKJJPBSJHMARF-UHFFFAOYSA-N 422.868 4.626 0 40 HJAB CC(=O)N(c1nc(CSc2nnc(C)n2C2CC2)cs1)c1cccc(C)c1C 9217897 XQYHHNVTDSHGIH-UHFFFAOYSA-N 413.572 4.972 0 40 HJAB Cc1csc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2-c2ccccc2)n1 9265126 RTHKTNPAOQDTOK-OAHLLOKOSA-N 421.551 4.819 0 40 HJAB COc1ccc2sc(N(CCN(C)C)C(=O)c3cccc(C(F)(F)F)c3)nc2c1 9604085 POCVLYDSCIPCPQ-UHFFFAOYSA-N 423.460 4.532 0 40 HJAB COc1ccc(Cl)cc1C(=O)Oc1coc(CSc2nc(C)cs2)cc1=O 9739655 XANPDFZXYVVMAT-UHFFFAOYSA-N 423.899 4.578 0 40 HJAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 9996108 GFGYSZAHIOYNMX-ICSRJNTNSA-N 408.523 4.831 0 40 HJAB Cc1csc(SCc2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2)n1 10920004 KGJHVQHTGNYOQW-UHFFFAOYSA-N 423.563 4.888 0 40 HJAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(N2CCCC2=O)cc1 10948155 IONSKDVSQVYKFO-UHFFFAOYSA-N 409.338 4.992 0 40 HJAB COc1cc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nc(C)n1 12225270 QFDSNECZEJHSBJ-UHFFFAOYSA-N 402.376 4.808 0 40 HJAB Cc1nc(-c2ccc(NC(=O)CCC(=O)c3ccc4c(c3)OCCCO4)cc2)cs1 12748235 YIYIKHUZQHGFTP-UHFFFAOYSA-N 422.506 4.881 0 40 HJAB COc1cc(C=C(C(=O)Nc2ccccc2C)C(=O)Nc2ccccc2C)ccc1O 13041627 ZKMMVTMGYQUODL-UHFFFAOYSA-N 416.477 4.678 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 13510533 YTAVVOCPAQPSIP-NJDAHSKKSA-N 422.843 4.530 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1ccccc1NS(=O)(=O)c1ccccc1 14153879 WELGBOTZPRJPSF-UHFFFAOYSA-N 420.412 4.759 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 14833493 DVULBEGBLCQXAR-OVCLIPMQSA-N 412.898 4.793 0 40 HJAB C[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 15314348 KYVBRSQEHARVGI-WPEVAZMXSA-N 420.597 4.660 0 40 HJAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)cc1 16575732 NONPWRWFENOQFC-BJMVGYQFSA-N 402.903 4.688 0 40 HJAB CCOc1ccc(-c2nonc2NC(=O)c2ccc(OC(C)C)cc2)cc1OCC 16753878 PAUNGCSYSVIWCR-UHFFFAOYSA-N 411.458 4.574 0 40 HJAB COc1ccc(OCC2=NSC3=NCC(c4ccc(Cl)c(Cl)c4)=NN23)cc1 16804954 LIFXAZVVEXKYOE-UHFFFAOYSA-N 421.309 4.517 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3nc2NC2CCCCC2)c1 16956552 DKSWXPLGHVAQQY-UHFFFAOYSA-N 410.543 4.792 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@@H]3CC=CCC3)C1)N2 19083958 SOEYOYUNSJDPLY-VSZNYVQBSA-N 420.548 4.766 0 40 HJAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@H]2CC23CCC3)C1 19591020 WRIZDQDXJMDHSU-CJFMBICVSA-N 422.594 4.503 0 40 HJAB Cc1nc(C2CCN(C3CCCC3)CC2)nc2c1CCC(=O)N2CC1CCCCC1 19703786 PTGIOTRCVHPXMN-UHFFFAOYSA-N 410.606 4.767 0 40 HJAB Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N(C)C)cc1 21805431 MYCZAGBQLHAQOQ-QHCPKHFHSA-N 403.526 4.562 0 40 HJAB CCOc1c(Br)cc(Br)cc1CNCCc1ccccc1 22074363 YARGJKZXRNIJJN-UHFFFAOYSA-N 413.153 4.943 0 40 HJAB Cc1cccc(-c2c(C(=O)N3CCOCC3)c(C)nc3sc4c(c23)CCCC4)c1 22387516 VVGNXTOAGSCSHV-UHFFFAOYSA-N 406.551 4.931 0 40 HJAB Cc1ccc(-c2cc(C(=O)Nc3nc(C)c(C(=O)OCC(C)C)s3)no2)cc1C 27582527 AOLSWGTZQXXTNN-UHFFFAOYSA-N 413.499 4.788 0 40 HJAB O=C(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)c1ccc2c(c1)OCO2 28221698 BJUATXZQCHGIQE-UHFFFAOYSA-N 403.369 4.524 0 40 HJAB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NC1CCN(Cc2ccccc2)CC1 28272782 PMIZFSQRFNFWEU-ZHACJKMWSA-N 405.929 4.682 0 40 HJAB C[C@H](NS(=O)(=O)c1ccccc1Br)c1ccc(C(F)(F)F)cc1 28328411 KQCZQZYIKZGDBX-JTQLQIEISA-N 408.239 4.507 0 40 HJAB COc1cccc([C@@H](NC(=O)N[C@H](C)c2ccc(C(C)C)cc2)c2nccn2C)c1 29729884 IDQZIFQJSMUCNN-VGOFRKELSA-N 406.530 4.702 0 40 HJAB CC(C)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2cccc(Cl)c21 32074575 FZEUGGGAGCTJHX-OAQYLSRUSA-N 400.910 4.572 0 40 HJAB CC(=O)Nc1ccc2nc(NC(=O)c3cccc4c(Br)cccc34)oc2c1 32127615 ZJMQVHLQKOPUNL-UHFFFAOYSA-N 424.254 4.954 0 40 HJAB Cc1cnc2c(S(=O)(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cccc2c1 32902716 CWUZAROFWGOVQK-KRWDZBQOSA-N 423.563 4.721 0 40 HJAB COc1cc2nc(C)n(CCc3c(C)cc(C(C)(C)C)cc3C)c(=O)c2cc1OC 32913804 STQDMOFMEWHHRS-UHFFFAOYSA-N 408.542 4.879 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 38772043 XFZVUIWJHJWFRK-OAHLLOKOSA-N 406.320 4.721 0 40 HJAB Cc1c(NC(=O)N[C@H](c2cccs2)C2CCCC2)c(=O)n(-c2ccccc2)n1C 40094841 QSUOZJLCAMTJKG-FQEVSTJZSA-N 410.543 4.599 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)CCOc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 40131755 RLPLPIILSFQCKX-IBGZPJMESA-N 422.287 4.541 0 40 HJAB CCn1c(-c2ccc(OC)cc2)nn(CN2CCc3sccc3[C@H]2C)c1=S 52583959 MLMQDKQOQROCSM-CQSZACIVSA-N 400.573 4.748 0 40 HJAB CCC[C@@H](NC(=O)CCCNC(=O)c1ccsc1)c1cccc(C(F)(F)F)c1 58218091 WOJDKSLTLYVVCD-QGZVFWFLSA-N 412.477 4.935 0 40 HJAB CSCC[C@@H](NC(=O)Cn1ccc2ccc(Cl)cc21)c1nc2ccccc2[nH]1 64781332 WTWINPYGRHDMBD-GOSISDBHSA-N 412.946 4.782 0 40 HJAB CCc1ccc(-c2noc(-c3nn(-c4ccccc4C)c(=O)c4ccccc34)n2)cc1 64950208 SARPORDFUHJOEO-UHFFFAOYSA-N 408.461 4.974 0 40 HJAB COc1cccc(-n2c(SCc3ccc(F)cc3F)nc3ccccc3c2=O)c1 67259245 PGHXMYDHKSSAGU-UHFFFAOYSA-N 410.445 4.965 0 40 HJAB O=C1NCCC[C@@H]1Cc1ccc(-c2cccc(C(=O)N3CCc4ccccc4C3)c2)cc1 72356259 CBMCUZUCLYEGIV-XMMPIXPASA-N 424.544 4.621 0 40 HJAB CC1=C(C)[C@]2(C)N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)[C@]1(C)C(=O)C2(C)C 100818068 RJSPLZUDWDKBBQ-VXKWHMMOSA-N 408.539 4.852 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](OC(C)=O)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118926036 SMCQXKQWSCYFRG-KFGZADJESA-N 416.558 4.628 0 40 HJAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)COc1cccc2ccccc12 218916719 JBCJKSNJJRHZDS-UHFFFAOYSA-N 407.857 4.581 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 222566478 SXKFCPQGBOALML-QGZVFWFLSA-N 414.977 4.733 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccncc2)c1C 222953058 PPNQUDSCDYIXNM-XZOQPEGZSA-N 419.598 4.716 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 223035775 BLVITGFILHQYCQ-MRXNPFEDSA-N 419.934 4.966 0 40 HJAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1)c1ccccc1 223184945 RFSDWDZCNYRYPF-NCJDQSJGSA-N 420.534 4.795 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 223191962 GVEPGQFBBWXGCL-SFHVURJKSA-N 400.950 4.525 0 40 HJAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 223891479 GSSCKOMFJJPMIF-YADHBBJMSA-N 419.598 4.881 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1 223992537 KEMRLNWQBRCPQY-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB Cc1cc(C(=O)Nc2ccccc2OC(C)C)ccc1NS(=O)(=O)c1ccccc1 223999957 SNYRYBVKUGZMAC-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB CCN(c1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1)S(=O)(=O)c1ccccc1 224354175 FUDIQSWHZWFVJX-UHFFFAOYSA-N 408.523 4.771 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 224630362 OSYLYLWIZIMEAV-XMMPIXPASA-N 408.586 4.734 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C 224634313 ATUBZCKUGAZZDR-RUZDIDTESA-N 420.597 4.755 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 225051228 FBSIHEBYMVFUGK-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1Cl 225568342 NEIJEQBTJLSIHO-QGZVFWFLSA-N 417.933 4.749 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(OC)c(Cl)c1 225686390 MRWWSAGNFNDADR-MRXNPFEDSA-N 406.935 4.946 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 225714780 XMIHDWIRMHVHST-QFIPXVFZSA-N 412.599 4.642 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257336169 YNLNOJHJPBKACM-OAQYLSRUSA-N 412.436 4.676 0 40 HJAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 408662060 MLZAOKIYOBGKOG-OAHLLOKOSA-N 415.917 4.995 0 40 HJAB Clc1cncc(OC2CCN(Cc3ccc(OCc4cccnc4)cc3)CC2)c1 574023463 WLTWBXRNXDWWKJ-UHFFFAOYSA-N 409.917 4.752 0 40 HJAB Cc1sc2nc(CN3CCCC3)nc(N3CCCN(c4ccccc4)CC3)c2c1C 613583162 WEDOWHCYTSWWIH-UHFFFAOYSA-N 421.614 4.621 0 40 HJAB COCC(=O)N1CCCCCCCCN(C(=O)Cc2ccccc2)Cc2ccccc21 2037885033 RNCNRBJQJSTLBE-UHFFFAOYSA-N 422.569 4.592 0 40 HJAB CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 797560 AMIFGAUAOQJVKT-UHFFFAOYSA-N 415.950 4.603 0 40 HJAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 907657 FNGSNQFPINRUHZ-UHFFFAOYSA-N 415.950 4.603 0 40 HJAB Cc1cc(C)c2cc(CN(C[C@H]3CCCO3)C(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1 1359690 FHWJDGUXGIMWOC-HXUWFJFHSA-N 424.928 4.620 0 40 HJAB CCc1ccc(-c2nc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn3n2)cc1 2342961 LDDWLMXZVQPAQY-UHFFFAOYSA-N 409.280 4.999 0 40 HJAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccc(Br)cc1 2474932 WTFVBKDDAJPEJN-UHFFFAOYSA-N 400.301 4.634 0 40 HJAB O=C(c1cc(F)c(F)c(F)c1F)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 2654831 MLGVNLMDIODWIH-JTQLQIEISA-N 410.392 4.679 0 40 HJAB Cc1c(CC(=O)NCc2ccco2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 4089837 JOIRMCZSXUSXQN-UHFFFAOYSA-N 413.429 4.967 0 40 HJAB biogenic O=C1N[C@@H](/C=C\c2ccccc2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 4525917 AGPRADGRDMXMEJ-AXUYNXDZSA-N 401.535 4.501 0 40 HJAB Cc1n[nH]c2c1[C@H](c1ccc(Cl)cc1)N(c1ccc(Br)cc1)C2=O 4625136 ITRGQJSRIAIABD-KRWDZBQOSA-N 402.679 4.884 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 4704194 JCKZQCRJZVNUSL-SFHVURJKSA-N 414.296 4.821 0 40 HJAB Cc1cc(C)c(C(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1C 4996437 NEAGYOIQFODHQS-UHFFFAOYSA-N 405.450 4.805 0 40 HJAB Cc1ccc(NC(=O)CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)c(C)c1 5143291 BMGLGNBLPXGFIT-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB COc1ccc(OCC(=O)O[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1 5994805 GLAINMFVALHPEA-VWLOTQADSA-N 404.462 4.858 0 40 HJAB O=c1[nH]c2sc3c(c2c2nnc(SCc4ccc5ccccc5c4)n12)CCC3 6198307 RGYGZUVNCAGPLK-UHFFFAOYSA-N 404.520 4.567 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3cccc(F)c3)cc2)cc1 7971940 MNAOVBUWZIYAQG-UHFFFAOYSA-N 407.445 4.527 0 40 HJAB Cc1cc(C)cc(OCC(=O)Nc2cc(C)c(I)cc2C)c1 8335903 OCNLXLLPKDRMEE-UHFFFAOYSA-N 409.267 4.542 0 40 HJAB O=C(COC(=O)CN(Cc1ccccc1)Cc1ccccc1)Nc1ccc(Cl)cc1 8433904 RPYDQPZFAYTJBS-UHFFFAOYSA-N 422.912 4.524 0 40 HJAB Cc1ccc(Cn2cc(/C=c3\sc4nc5ccccc5n4c3=O)c3ccccc32)cc1 8442161 BESQEDZMHWAXKB-OYKKKHCWSA-N 421.525 4.768 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)sc2c1CCCC2 8497469 IBHWBZDPZKRPIR-HNNXBMFYSA-N 401.528 4.826 0 40 HJAB Cc1cccnc1NC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 8993609 MUDQEMVQNYVWKH-UHFFFAOYSA-N 420.852 4.834 0 40 HJAB Cc1ccc(CN2CCC(C(=O)NCCSCc3ccccc3Cl)CC2)cc1 9063112 SGJQCCZUOWCKCL-UHFFFAOYSA-N 417.018 4.910 0 40 HJAB CCc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3F)c3ccccn23)cc1 9316990 ZLOPKXHXNZNINS-UHFFFAOYSA-N 401.441 4.706 0 40 HJAB Cc1ccc(S(=O)(=O)c2cn(Cc3ccccc3C)c3ccc(F)cc3c2=O)cc1 9858945 QJUVECQIHDHSMV-UHFFFAOYSA-N 421.493 4.639 0 40 HJAB Cc1cccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)c1C 11914572 YVQQGOZMCHMKBC-NRFANRHFSA-N 400.950 4.679 0 40 HJAB CCN1CCN(c2ccc(NC(=O)c3csc(-c4ccc(C)cc4)n3)cc2)CC1 11949852 ZYYOSTOWONULBS-UHFFFAOYSA-N 406.555 4.513 0 40 HJAB Cc1cc(NC(=O)COc2ccccc2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 12441832 YNIAKKGPMNLTLA-UHFFFAOYSA-N 424.913 4.975 0 40 HJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCCCN1C(=O)c1ccccc1 12918417 PCMTWDQEDNHHIL-INIZCTEOSA-N 408.832 4.575 0 40 HJAB O=C(Cc1ccc(Cl)cc1)Nc1ccnn1Cc1ccccc1Br 13006243 AJSNYDRKAJFGKR-UHFFFAOYSA-N 404.695 4.529 0 40 HJAB CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716114 KKIQVPOFBFTSAN-OAQYLSRUSA-N 402.560 4.610 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 14071460 HZZUBIVFIFNBHR-OAHLLOKOSA-N 411.889 4.657 0 40 HJAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)Nc1cccc(C(F)(F)F)c1 14137224 VRSUBXJAGWEMAC-UHFFFAOYSA-N 421.366 4.734 0 40 HJAB CCOc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2cccs2)cc1 15413329 IMWBVLREGNCNBK-QHCPKHFHSA-N 420.534 4.885 0 40 HJAB COCc1ccc(C(=O)N2CCCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)cc1 19239751 JSBFYIAUCTXHDO-HSZRJFAPSA-N 416.525 4.669 0 40 HJAB Cc1cc(Nc2nc(-c3ccncc3)nc3c2CN(C(=O)C(C)(C)C)CC3)ccc1F 19570756 COESMBREUCVJNK-UHFFFAOYSA-N 419.504 4.661 0 40 HJAB COc1ccc([C@@H](NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c2ccccc2)cc1 19574463 MWGXROPZMDIBPE-DEOSSOPVSA-N 415.493 4.669 0 40 HJAB Cc1n[nH]c(C)c1Cc1c(C(=O)N[C@H](C)c2cc3cc(Cl)ccc3o2)noc1C 19579081 YFOYHALEEFNONH-GFCCVEGCSA-N 412.877 4.804 0 40 HJAB CC(C)N1CCc2c(sc3nc(SCc4ccc(Cl)cc4)nc(N)c23)C1 19708097 COQMIXLGACTVSD-UHFFFAOYSA-N 404.992 4.986 0 40 HJAB Cc1ncc(CN2CCC[C@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)s1 19711178 IFRVDFYZJQDNAP-QFIPXVFZSA-N 424.545 4.561 0 40 HJAB Cc1nc([C@H]2CCN(CCc3ccccc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19753194 RNCINCDAMATFAZ-IBGZPJMESA-N 420.944 4.723 0 40 HJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 20143981 HTVRBMMRASORDN-UHFFFAOYSA-N 409.482 4.763 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 20727338 ARRBTHWSLKPHNQ-FQEVSTJZSA-N 418.324 4.731 0 40 HJAB CCOc1c(Cl)cc(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)cc1OC 23880570 OXBQFNKVABALCG-UHFFFAOYSA-N 423.847 4.764 0 40 HJAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1cn(-c2ccc(Cl)cc2)nn1 24922571 TUGIQBQUGFXNCL-IBGZPJMESA-N 412.877 4.641 0 40 HJAB COc1ccc(Cl)cc1NC(=O)Nc1c(C)nn(Cc2cccc(F)c2)c1C 27922403 DXTKSAPDWLGONB-UHFFFAOYSA-N 402.857 4.993 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 30754174 YCBNFLDMCGNYTR-FQEVSTJZSA-N 407.341 4.808 0 40 HJAB O=C(Nc1ccc(-n2cccn2)nc1)c1ccccc1-c1ncc(-c2ccccc2)o1 32754772 SBYCBPVJWGSPKU-UHFFFAOYSA-N 407.433 4.842 0 40 HJAB COc1ccc(CN(C)Cn2nc(-c3cc(C)ccc3C)c3ccccc3c2=O)cc1 40049521 SFOCLWDBFJSCIW-UHFFFAOYSA-N 413.521 4.778 0 40 HJAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccc(C)cc1 44844126 AXQQAJOFSNXZCN-JOCHJYFZSA-N 422.550 4.985 0 40 HJAB O=C(NCCCc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 44906343 GHRVXQLNSALGTD-LJQANCHMSA-N 405.369 4.954 0 40 HJAB CCN(c1ccc2sc(C(=O)NC(C)C)cc2c1)S(=O)(=O)c1ccc(C)cc1 46059034 ZVBKBJLDBZAVEJ-UHFFFAOYSA-N 416.568 4.563 0 40 HJAB O=C(c1cc2cccc(Br)c2o1)N1CCO[C@H](c2ccc(F)cc2)C1 46747522 NLORZLIMVZYCFZ-KRWDZBQOSA-N 404.235 4.548 0 40 HJAB CSc1ccc2nc(N3CCN(C(=O)Nc4ccccc4F)CC3)sc2c1 49025986 ZVOQGDWIEPIVCX-UHFFFAOYSA-N 402.520 4.511 0 40 HJAB Cn1c2c(sc1=O)[C@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2c1ccccc1 49548591 JRPSOONCAARCPD-HNNXBMFYSA-N 404.413 4.666 0 40 HJAB CCc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)c1 57426029 JVSYLHKFAJRCRY-UHFFFAOYSA-N 415.584 4.797 0 40 HJAB COc1cc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)c2ccc(C)cc2)cc(OC)c1 58135663 SWSJDFCVXLWKEM-HOYKHHGWSA-N 404.510 4.718 0 40 HJAB O=C(Nc1ccc(OCc2cccs2)cc1)N(Cc1cccnc1)C[C@H]1CCCO1 58166803 HRRYTEMIAACQHP-OAQYLSRUSA-N 423.538 4.935 0 40 HJAB CC(C)n1c(S[C@@H](C)C(=O)Nc2cccnc2)nnc1-c1cc2ccccc2o1 72191459 RPOPXKSTLOLYEP-AWEZNQCLSA-N 407.499 4.787 0 40 HJAB Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)OCC3(C)COC3)cc12 84068061 QWSXCOXQARSCCZ-UHFFFAOYSA-N 410.417 4.608 0 40 HJAB Cc1nn(-c2ccccc2)c(O)c1[C@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 100103200 UBOHQNHSSQYXPL-DEOSSOPVSA-N 424.504 4.696 0 40 HJAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)sc1C 100199876 UAUVVJVLCOXNEP-CDASLUBFSA-N 416.612 4.553 0 40 HJAB COc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1Cl 100890768 BPWLYGVLXGVMNM-KBXCAEBGSA-N 423.694 4.881 0 40 HJAB O=C1/C(=C/c2ccc(Cl)c(F)c2)NC(=S)N1c1ccccc1C(F)(F)F 102113687 ZUADMIGFJLZQJQ-JYRVWZFOSA-N 400.784 4.760 0 40 HJAB CSc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 104024931 OAYSFNIUKWYOAQ-UHFFFAOYSA-N 414.567 4.641 0 40 HJAB NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1c1ncnc2scc(-c3ccc(Cl)cc3)c12 110572291 KHMRTKOBQZNUBE-RRQGHBQHSA-N 412.946 4.635 0 40 HJAB CN(c1ccc(C(=O)Nc2cccc(F)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 113937228 WQBZMUOGUJLQKQ-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219321571 JGTJYEHJRUOARF-QZTJIDSGSA-N 403.906 4.925 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NC(C)C)cc1 222497029 GBCWGMXSHFAGPS-XMMPIXPASA-N 408.586 4.822 0 40 HJAB C[C@@H](NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl)c1ccc(C(C)(C)C)cc1 222499966 FMEZMHKDRLRYMD-CQSZACIVSA-N 422.978 4.524 0 40 HJAB CC[C@@H](NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccc2c(c1)CCCC2 223138282 BFXCSHJQKROSNI-JOCHJYFZSA-N 413.583 4.882 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 223275409 XSPTZNJQAOIASG-HXUWFJFHSA-N 421.368 4.706 0 40 HJAB CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 223334585 WJUUHYCXPCOADK-QHCPKHFHSA-N 406.913 4.746 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223649070 ZSDGFUVHESESLW-UTKZUKDTSA-N 400.950 4.605 0 40 HJAB Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 223926834 OYZXJNAOFAPMHC-SFHVURJKSA-N 408.523 4.595 0 40 HJAB COC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCCCCC1 225630766 LAIWDOQICIXCTR-BGYRXZFFSA-N 402.579 4.721 0 40 HJAB Nc1nnc(/C=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)o1 226341808 VLSOEBYDLUUOHX-ZZXKWVIFSA-N 424.657 4.956 0 40 HJAB COc1ncccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257202123 AKOQXZGRXNECIB-IBGZPJMESA-N 411.889 4.690 0 40 HJAB C[C@]1(NC(=O)CCO)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(Cl)c2)C1 257247156 IXSPEVXRWPLAJO-ZVDOUQERSA-N 408.325 4.844 0 40 HJAB Cc1ncsc1C(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257288193 PTGVWZVRUIODEM-OAHLLOKOSA-N 401.919 4.704 0 40 HJAB CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(C)c2)CC1 257334607 YGQMMLKOKILXQR-UHFFFAOYSA-N 413.565 4.628 0 40 HJAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cc(Cl)ccc3C)C(=O)[C@@H]2C1 408687087 UFDRJCFWCASCPL-FUHWJXTLSA-N 408.885 4.746 0 40 HJAB CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2cccc(F)c2)C1=O 408813897 DYDFDWZKLROFNN-SXGWCWSVSA-N 422.275 4.833 0 40 HJAB O=C(O)[C@@H]1CN[C@H](c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)S1 408975289 AAMRBZSJEBKTOG-ROUUACIJSA-N 407.322 4.785 0 40 HJAB O=C(NC1CCCCC1)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408978090 KNZJYQANNHVWHN-UHFFFAOYSA-N 409.493 4.816 0 40 HJAB O=C(Cn1ccc(=O)c2ccccc21)Nc1cccc(-c2ccc3ccccc3c2)n1 524552319 FHCRMWFSJBSJHX-UHFFFAOYSA-N 405.457 4.855 0 40 HJAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CC[C@]6(CCN(C)C6)C5)(C4)C2)C3)cc1C 554142091 NFOWGLZGAUWPRI-JMKRAWPZSA-N 406.614 4.696 0 40 HJAB O=C(CCCCCn1cccc1)N1CCc2[nH]c3c(Br)cccc3c2C1 604404696 JESCAIGZJYTMAX-UHFFFAOYSA-N 414.347 4.877 0 40 HJAB biogenic CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C(C)C)cc1 641186 FGSXYLQRYPCZNL-NRFANRHFSA-N 409.555 4.640 0 40 HJAB O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@@H](c2c[nH]c3ccccc23)O1 710000 ZFGQRFFERSTKPE-CJFMBICVSA-N 414.461 4.718 0 40 HJAB COc1ccc2cc(C)c3nnc(SCC(=O)Nc4cccc(C)c4C)n3c2c1 928403 OAPCTIWTLLLQKV-UHFFFAOYSA-N 406.511 4.547 0 40 HJAB O=C(COc1c(-c2ccccc2Cl)oc2ccccc2c1=O)NC1CCCCC1 1792174 DJXPJYNPWYAHBN-UHFFFAOYSA-N 411.885 4.941 0 40 HJAB CC(=O)c1cccc(NC(=O)CCCCCCCCN2C(=O)c3ccccc3C2=O)c1 2309958 DQVGNYMANOKICP-UHFFFAOYSA-N 420.509 4.855 0 40 HJAB CCOc1ccccc1S(=O)(=O)Nc1ccc(-c2nc3cccnc3s2)cc1 4200721 KJZHPRNABFXYHS-UHFFFAOYSA-N 411.508 4.558 0 40 HJAB COc1ccc(OCC(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)cc1 4267235 BAEGHWNFEOIIEG-UHFFFAOYSA-N 416.433 4.711 0 40 HJAB COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccccc2C)c1 4518186 ZUQUPZNEUFTXHS-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(CCc3ccccc3)n2CC(C)C)c1 4694847 WQTJZTMIFKTAIS-UHFFFAOYSA-N 408.571 4.759 0 40 HJAB CCc1cc2cc(C)ccc2nc1SCC(=O)NCCc1ccc(OC)c(OC)c1 4849327 CZWZQAXJAPVSMA-UHFFFAOYSA-N 424.566 4.574 0 40 HJAB COc1cccc2sc(N(CCN(C)C)C(=O)c3cccc4ccccc34)nc12 5115557 XVEGHGJDRQDALS-UHFFFAOYSA-N 405.523 4.667 0 40 HJAB O=C([C@H](Sc1nnc(NCc2ccco2)s1)c1ccccc1)N1CCCCC1 7162009 YLYOLUCSAKTYOC-QGZVFWFLSA-N 414.556 4.589 0 40 HJAB CCc1nnc(S/C(=C\c2ccccc2OCc2ccccc2F)C(=O)O)o1 7508298 SIUVZJWUQYZXHM-BOPFTXTBSA-N 400.431 4.568 0 40 HJAB Cc1cc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)ccc1Cl 7688094 YCEUIWKYQYVYRI-UHFFFAOYSA-N 405.932 4.810 0 40 HJAB CCN1CCN(c2ccccc2NC(=O)c2ccc(COc3ccccc3)cc2)CC1 8026035 VWYJKLOUOYMGJA-UHFFFAOYSA-N 415.537 4.660 0 40 HJAB CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 8049089 VDNZZEWNPPRKED-UHFFFAOYSA-N 418.584 4.614 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(Cc1ccco1)Cc1cccs1 8313476 UOSDKMQNSARYAI-UHFFFAOYSA-N 420.538 4.785 0 40 HJAB O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2cccs2)N1c1ccc2c(c1)OCO2 9367164 LWKOLCZAKZOXIF-NRFANRHFSA-N 416.462 4.638 0 40 HJAB COCCNC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 10324734 YXZZFGCKJPDDHT-UHFFFAOYSA-N 420.534 4.607 0 40 HJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(NC(=O)c2ccco2)cc1 11526656 OEOQVOHULZDKFC-UHFFFAOYSA-N 409.492 4.898 0 40 HJAB O=C(N/N=C(\C=C\c1ccccc1[N+](=O)[O-])c1ccccc1)[C@H]1C[C@H]1c1ccccc1 12376147 GDFIZMWCVZDSQM-PEDBESRZSA-N 411.461 4.932 0 40 HJAB CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](c3ccc(F)cc3)c3nccn3C)o2)cc1 12574884 WLDKBYFOTGQPIE-QFIPXVFZSA-N 417.440 4.541 0 40 HJAB O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 12778014 HIUOOAOIWKTNPB-HXUWFJFHSA-N 400.478 4.509 0 40 HJAB Cc1c(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)oc2ccccc12 12907003 BYFWCOKJYCNNNR-UHFFFAOYSA-N 402.416 4.718 0 40 HJAB Cc1nc(NC[C@H](c2c(F)cccc2Cl)N(C)C)c2c3c(sc2n1)CCC3 13040023 RWGWHSBAODFTEA-OAHLLOKOSA-N 404.942 4.996 0 40 HJAB COC(=O)c1ccc(C)c(NC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)c1 13148878 JYYIWJGDZDBLSW-ALOPSCKCSA-N 405.585 4.723 0 40 HJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cncc(Br)c1 14582989 PFSWZSNSIZICLC-UHFFFAOYSA-N 403.198 4.904 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 16250006 XICRMVYMEPMLLM-UHFFFAOYSA-N 420.962 4.611 0 40 HJAB Cn1cc(Cl)c(C(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)n1 19290002 FPYXGJCBSNICET-QGZVFWFLSA-N 402.857 4.625 0 40 HJAB Fc1ccc(N2C(c3ccccc3)=N[C@@H](N3CCCCC3)[C@H]2N2CCCCC2)cc1 19318800 MLEUFHNJSXGUHY-DQEYMECFSA-N 406.549 4.717 0 40 HJAB Cc1noc(C)c1Cc1c(C(=O)NCC2(c3cccc(F)c3)CCCC2)noc1C 19580963 AEJDFGJYYFWEJF-UHFFFAOYSA-N 411.477 4.560 0 40 HJAB CCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 19922837 CTEKISNRRRYLHN-UHFFFAOYSA-N 404.445 4.909 0 40 HJAB CCCCOC(=O)c1ccc2nc(NC(=O)COc3ccc(Cl)cc3)sc2c1 20411540 YMGKWQVXVWHDJZ-UHFFFAOYSA-N 418.902 4.924 0 40 HJAB Cc1sc2ncc(C(=O)Nc3ccccc3Sc3ccccc3)c(=O)n2c1C 20767653 COILVNFXEVBWSJ-UHFFFAOYSA-N 407.520 4.776 0 40 HJAB CCOc1cc(CNc2nnnn2CC)cc(Cl)c1OCc1ccc(Cl)cc1 22111936 KQCUQEQYGQKPIZ-UHFFFAOYSA-N 422.316 4.590 0 40 HJAB COc1ccc(-c2nc(NC(=O)c3cccnc3OCC(F)(F)F)sc2C)cc1 24567816 AFCKWQAOMPBTIM-UHFFFAOYSA-N 423.416 4.716 0 40 HJAB CC(C)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C 24828960 YKHSPXNWYMTTGJ-UHFFFAOYSA-N 404.297 4.859 0 40 HJAB O=C(c1ccccc1)[C@H](Sc1nnc(O)n1CCc1ccccc1)c1ccccc1 26265304 SAHWBBPOSRMEGA-JOCHJYFZSA-N 415.518 4.943 0 40 HJAB Cc1ccc(Nc2nc(Nc3ccc(C(C)C)cc3)nc(N3CCOCC3)n2)cc1C 27643223 ZNVWJFOTOJXBJG-UHFFFAOYSA-N 418.545 4.936 0 40 HJAB Cc1cc(OCC(=O)NC[C@@H](c2cccs2)N2CCCCC2)cc(C)c1Cl 28288157 ABRXKNWNHPQXEQ-SFHVURJKSA-N 406.979 4.741 0 40 HJAB Cn1c(SCc2ccc(F)cc2)nnc(Nc2cc(Cl)ccc2Cl)c1=O 28536851 WVRVGRTURZYQNL-UHFFFAOYSA-N 411.289 4.657 0 40 HJAB O=C(CSc1ccccc1)Nc1cc(Br)ccc1Br 31950683 WFUGJSRGSQWMGZ-UHFFFAOYSA-N 401.123 4.942 0 40 HJAB O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(-c2ccccc2F)s1 32816637 TYBLOJXSZHARRU-UHFFFAOYSA-N 408.498 4.607 0 40 HJAB COc1ccc(C)cc1NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1 36615983 VNVHUHUZGLYRFI-UHFFFAOYSA-N 404.445 4.746 0 40 HJAB Cc1csc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)n1 39977722 DCDGCAQLJXWDAL-LJQANCHMSA-N 409.555 4.885 0 40 HJAB Cc1nc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)ccc2o1 40079765 MMZKCTLRGFZDJA-KRWDZBQOSA-N 418.280 4.686 0 40 HJAB COc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 41125415 IWMNEZOMAZGNLT-FQEVSTJZSA-N 423.896 4.834 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2nnc(-c3ccccn3)s2)cc1 47790208 SJQPUNMQMACLAN-GOSISDBHSA-N 409.515 4.758 0 40 HJAB COc1ccccc1CCNc1ncc(-c2nccn2C)c(-c2ccc(Cl)cc2)n1 57762003 RQKGHDBCDLQHSH-UHFFFAOYSA-N 419.916 4.861 0 40 HJAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)cc1 59227325 ASQJGYHAMZXDCX-ZDUSSCGKSA-N 421.722 4.657 0 40 HJAB CCN(c1ccsc1C(=O)N[C@H]1CCCC[C@@H]1C)S(=O)(=O)c1ccc(C)cc1 67245672 ZVZHTHCMYIYRAK-WMZOPIPTSA-N 420.600 4.580 0 40 HJAB COc1ccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)c(OC)c1 67339413 KECSLSJXKGDZGY-VMPITWQZSA-N 402.244 4.864 0 40 HJAB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(OC(C)C)cc2)cc1Cl 72329358 MMSCSRHXPIZWEY-UHFFFAOYSA-N 413.905 4.846 0 40 HJAB CC(=O)N1CCC(N2CCC[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)CC1 72350213 LGAMKLRJYADPFK-FQEVSTJZSA-N 411.977 4.516 0 40 HJAB Cc1cc(Nc2nc(C)cs2)cc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 72372551 FVHGXLJJBZVFTL-HXUWFJFHSA-N 410.518 4.944 0 40 HJAB Cc1cccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccc(F)cc4)OC3=O)cc2)c1 83327539 NTAXAPZKSINXDS-KGENOOAVSA-N 401.393 4.698 0 40 HJAB COC(=O)N1CCc2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)cc2C1 96096276 PBDHCRHNQOXJJG-UHFFFAOYSA-N 414.461 4.687 0 40 HJAB COc1ccc([C@@H]2Nc3nonc3N=C3C[C@H](c4ccccc4)CC(O)=C32)c(OC)c1 102744681 RVKLIFYUEGXMPQ-QKKBWIMNSA-N 418.453 4.716 0 40 HJAB O=C(c1cc(Br)ccc1O)N1CCCc2ccc(C(F)(F)F)cc21 113596407 HYSXGINWLYHGRP-UHFFFAOYSA-N 400.194 4.767 0 40 HJAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@@H]4C[C@](O)(C(Cl)(Cl)Cl)CC[C@@]43C)[C@@H]1CCC2=O 118915195 PRKJWXBURFOVQU-ALWBSILLSA-N 421.792 4.879 0 40 HJAB CCn1c(S/C(=C\c2ccc(O)cc2)C(=O)O)nnc1-c1ccc(Cl)cc1 209172104 BCWXTSMYPDYFMY-WJDWOHSUSA-N 401.875 4.542 0 40 HJAB CCOc1c(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cccc1OC 214082714 ORXFWWWIESODGW-GZTJUZNOSA-N 403.887 4.984 0 40 HJAB Cc1ccc(N([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1Cl 220363977 MVHPUUOKUGRGED-MRXNPFEDSA-N 422.978 4.873 0 40 HJAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1cccc2ccccc12 222580668 WEUISHWKOQXREG-KRWDZBQOSA-N 408.929 4.589 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1C1CCCCC1 223082562 CASZLBYITJZOKT-FGZHOGPDSA-N 403.555 4.573 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 223311317 PYJVMGALYKIMFV-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccc1Cl)c1ccccc1 223334398 ISPWWGUNUXMNIA-HSZRJFAPSA-N 406.913 4.746 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1Cc1ccncc1 223491447 AIAPOKHUOGAODC-FGZHOGPDSA-N 403.555 4.566 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 224975412 NGQDLLFPGIJISQ-VQTJNVASSA-N 412.599 4.560 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1Cl 225289898 PXOOQKSXKBDTDL-UHFFFAOYSA-N 411.889 4.631 0 40 HJAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225615219 RYTNEXHNIZDMAA-UHFFFAOYSA-N 404.595 4.967 0 40 HJAB CCOC1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCCCC1 225709578 YXSZOVVFSRZCMZ-HXUWFJFHSA-N 402.579 4.865 0 40 HJAB CCCO[C@@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OC)c2)CCC[C@@H](C)C1 225853567 XQDUDQGJJARYDS-QZMQVMSPSA-N 405.535 4.965 0 40 HJAB C[C@]12CC[C@@H]3[C@H](C(=O)C[C@@H]4C[C@@](O)(C(Cl)(Cl)Cl)CC[C@@]43C)[C@H]1CCC2=O 245240386 PRKJWXBURFOVQU-KQBHUUJHSA-N 421.792 4.879 0 40 HJAB Cc1cc(Nc2cnccn2)cc(C2CCN(Cc3ccc4ncccc4c3)CC2)n1 257238676 HMAKKFLWNKYPFL-UHFFFAOYSA-N 410.525 4.851 0 40 HJAB Cc1[nH]c2ccc(C(=O)NS(=O)(=O)c3cccc(Cl)c3C)cc2c1C(C)C 257262839 LNCVPUVGUGGEAA-UHFFFAOYSA-N 404.919 4.680 0 40 HJAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(Cc4cccnc4)CC3)CO[C@H]21 257281255 OOIMCMRNTNRMHQ-RBBKRZOGSA-N 408.542 4.621 0 40 HJAB c1ccc([C@@]23CCc4ncc(-c5ccncc5)n4C[C@H]2N(Cc2ccco2)CC3)cc1 306141511 VYQVBDIBROBISY-RSXGOPAZSA-N 410.521 4.697 0 40 HJAB CCOc1ccc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)cc1OC 408805532 GJCHJDGNHXSIFI-UHFFFAOYSA-N 403.911 4.819 0 40 HJAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)O[C@H](C)CC)C1=O 409203265 VCBNTGDXBRUCRY-ONDHQXCVSA-N 413.495 4.617 0 40 HJAB O=C(NCc1n[nH]cc1Br)c1ccc(Oc2cccc(Cl)c2)cc1 521019166 AVJYLYABFTUISI-UHFFFAOYSA-N 406.667 4.548 0 40 HJAB O=C(Nc1cccc(-c2noc(-c3cncc(C(F)(F)F)c3)n2)c1)c1ccco1 580125029 ONTHVMILKZKEOK-UHFFFAOYSA-N 400.316 4.663 0 40 HJAB CC(C)(C)[C@H]1CC[C@](O)(CN2CCC(O)(COc3cccc(Cl)c3)CC2)CC1 585286741 IFOQAKRPXBCFDH-CXGRPWHSSA-N 409.998 4.513 0 40 HJAB CCOC(=O)C1=C(C)NC(c2ncc(Cl)s2)=N[C@H]1c1ccc(F)cc1Cl 1857793261 BGQGIRHMLUPLPL-AWEZNQCLSA-N 414.289 4.517 0 40 HJAB Cc1cc(C)c(C)c(OC[C@@]2(O)COCCN([C@H]3CC[C@H](c4ccccc4)CC3)C2)c1 2037946950 APPLGYZIIIQMDT-KLJDGLGGSA-N 423.597 4.780 0 40 HJAB O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)Nc1ccc(F)cc1 630191 URBFSKFAYPBLSY-UHFFFAOYSA-N 418.906 4.981 0 40 HJAB COc1ccc(OC)c(-c2csc(N(Cc3ccco3)C(=O)c3ccco3)n2)c1 881122 AZWHAYFDCDXHRD-UHFFFAOYSA-N 410.451 4.860 0 40 HJAB COc1ccc(OC)c(C(=O)CSc2ncnc3sc4c(c23)CCCC4)c1 886411 USIIXRIFZMERMW-UHFFFAOYSA-N 400.525 4.562 0 40 HJAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3ccc(F)cc3)c(=O)[nH]c2c1C 1359438 DJCLVNRDEGFTBR-UHFFFAOYSA-N 404.441 4.720 0 40 HJAB COc1ccc(-c2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1OC 1448025 JYKMBPWJMGBNBN-UHFFFAOYSA-N 408.431 4.758 0 40 HJAB biogenic COc1cc2c(cc1OC)-c1cc(Oc3ccc(C(C)(C)C)cc3)nc(=O)n1CC2 2130758 VXZKQHZPASUIHW-UHFFFAOYSA-N 406.482 4.573 0 40 HJAB biogenic COc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c1 2261708 JFYDCWRCEKNEOP-UHFFFAOYSA-N 421.453 4.769 0 40 HJAB Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nnc(C)s2)cc1 2411585 KYHXULXGWCJYBX-QGZVFWFLSA-N 423.881 4.665 0 40 HJAB COC(=O)Cc1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1 2425164 NPCCXNHRSOKDGG-UHFFFAOYSA-N 418.562 4.911 0 40 HJAB COc1ccccc1C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 2623275 MPLYHHXOCOCRID-UHFFFAOYSA-N 405.479 4.570 0 40 HJAB COc1ccc(OC)c(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)c1 3361951 TUNQNMNDVYHYKQ-UHFFFAOYSA-N 401.513 4.582 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nn(-c3ccccc3)c(=S)s2)c1 4892699 RTBKBTNBLXFESA-CYBMUJFWSA-N 415.565 4.985 0 40 HJAB COc1ccc(C2=NN(C(=O)CSc3nc(C)cs3)[C@H](c3ccco3)C2)cc1 5101564 LSAZBIHHZBJGLG-KRWDZBQOSA-N 413.524 4.523 0 40 HJAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)C1 5990104 MTHRDAKVSAXJLF-QZTJIDSGSA-N 418.566 4.802 0 40 HJAB CCc1ccc(-c2csc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)n2)cc1 6450983 BYEDUQNFZNBPJO-UHFFFAOYSA-N 412.511 4.580 0 40 HJAB CCCNC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1Cl 6500520 UJEFEDCWWQARSE-UHFFFAOYSA-N 417.218 4.862 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 6767200 UJTRQYZCFUKTQT-MRXNPFEDSA-N 421.928 4.951 0 40 HJAB N#C/C(=C/c1ccc(N2CCCC2)cc1F)C(=O)Nc1cccc(C(F)(F)F)c1 6970147 BWAKHTXCCZABQM-GDNBJRDFSA-N 403.379 4.990 0 40 HJAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Br)c(C)c2C)CC1=O 7881972 AFANWVHHNQRKJV-INIZCTEOSA-N 415.331 4.620 0 40 HJAB COc1ccc(OC)c(NC(=O)CN(Cc2ccc(F)cc2)C2CCCCC2)c1 8166072 UPYPKFGTIGBERH-UHFFFAOYSA-N 400.494 4.616 0 40 HJAB O=C1c2ccccc2N[C@@H](c2ccccc2Cl)N1c1ccc(N2CCOCC2)cc1 8993344 CAVJIGDSTLQQPN-HSZRJFAPSA-N 419.912 4.948 0 40 HJAB Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3CC(=O)O)c3ccccc3n2C)cc1 9190740 KMZVWRUKDSQUCI-RUZDIDTESA-N 410.473 4.784 0 40 HJAB O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)Nc1ncc(Cl)cc1Cl 9585873 HSKAOEZXPJAELN-DUXPYHPUSA-N 420.079 4.890 0 40 HJAB COc1ccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@H]2c2ccc(C)cc2)cc1 10059783 YVWBZGLDWIYNMC-BJKOFHAPSA-N 424.504 4.976 0 40 HJAB Cc1cc2c(cc1C)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 12293599 IVUFUDXYAVTLJF-JWQCQUIFSA-N 417.549 4.841 0 40 HJAB CC(=O)NCc1ccc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 12561821 NBYZVQPEZPUXOQ-UHFFFAOYSA-N 417.292 4.748 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 12602521 HPCOEJKWESAPFN-MRXNPFEDSA-N 405.523 4.881 0 40 HJAB C[C@@H](NC(=O)CCn1cnc2scc(-c3ccc(F)cc3)c2c1=O)c1ccccc1 12782342 JBXUDSBBBROZMR-OAHLLOKOSA-N 421.497 4.532 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2C)c1 14081997 RZCYAPUKUJSSMD-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB C[C@@H]1CCc2ccccc2N1C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 14196564 FANDBXCQGJRNFU-CQSZACIVSA-N 421.547 4.554 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1 14348153 GADRVDFHKJEHBX-UHFFFAOYSA-N 409.917 4.585 0 40 HJAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)CCc2ccccc2)c(OC)c1 15953799 LXBRFSSHLGAUPU-ZSQFBXSQSA-N 423.553 4.531 0 40 HJAB biogenic COC(=O)c1c(CSc2nnnn2C(C)C)nc2ccccc2c1-c1ccccc1 16453558 YAZNXQBCPZIWIV-UHFFFAOYSA-N 419.510 4.548 0 40 HJAB CCc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4OC)cc23)cc1 16842071 DZHKLTNGPGUFIW-UHFFFAOYSA-N 418.522 4.698 0 40 HJAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cccc(C)c1C 17087616 QIPUWQBGANWYNF-UHFFFAOYSA-N 407.333 4.510 0 40 HJAB COc1ccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CCN(Cc4ccc(Cl)cc4)C[C@H]23)cc1 19557703 QHEZHEYZYHYKMA-WXFUMESZSA-N 424.972 4.575 0 40 HJAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2cccc(F)c2)CCO1 19697535 OSBPXUQFFXSEHP-IBGZPJMESA-N 412.530 4.752 0 40 HJAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)c1ccc([C@H]2CC2(Cl)Cl)cc1 19822841 MYOFGYCHCLJEHS-OAHLLOKOSA-N 403.714 4.658 0 40 HJAB COc1ccc2oc(-c3ccc(NC(=O)c4ccc5nsnc5c4)cc3)nc2c1 21595488 XPLMIFCARFRNDH-UHFFFAOYSA-N 402.435 4.760 0 40 HJAB O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(OCC(F)(F)F)cc1 22418193 VEUMODBTNWALPZ-UHFFFAOYSA-N 412.458 4.672 0 40 HJAB CC(C)CCC[C@@H](C)NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 26182101 VVLVUBPQCNLFKX-CQSZACIVSA-N 420.907 4.800 0 40 HJAB COC(=O)c1cc(NC(=O)c2ccc(CN3CCCCCC3)cc2)ccc1Cl 30938931 DWJGSOXBVRSWSF-UHFFFAOYSA-N 400.906 4.755 0 40 HJAB Cc1sc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(C(N)=O)c1-c1ccccc1 32776934 KTGKNRMIJLXVBD-LBPRGKRZSA-N 414.914 4.882 0 40 HJAB O=C(COc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1)N1CCCCCC1 33325277 MXAICDLOYDPGHG-UHFFFAOYSA-N 411.889 4.838 0 40 HJAB COc1ccccc1NC(=O)[C@H](C)S(=O)(=O)Cc1c(C)cc(C(C)(C)C)cc1C 40106085 UHKJRRCUTGHHTK-KRWDZBQOSA-N 417.571 4.552 0 40 HJAB C[C@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(F)cc1 44934181 ZOMKIIUOQZMJJK-HNNXBMFYSA-N 419.338 4.678 0 40 HJAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 58016219 ZNNDXNBQTOPXRD-ZGQNHIEXSA-N 424.497 4.649 0 40 HJAB CC[C@H](C)n1c(SCC(=O)Nc2ccccc2C(C)C)nc2cc(C)[nH]c2c1=O 67239209 PNNSVTIRAWMZRS-HNNXBMFYSA-N 412.559 4.858 0 40 HJAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccccc2Cl)n1 67297925 WVAMDMMJUTXKEG-LVWGJNHUSA-N 405.841 4.980 0 40 HJAB Cc1sc2nc(C(C)C)n([C@H]3CCCN(C(=O)C4CCCC4)C3)c(=O)c2c1C 72347721 CKYNRXVOGFKSLJ-KRWDZBQOSA-N 401.576 4.552 0 40 HJAB COc1cc(-c2noc(CCCCCN[C@H](C)CCc3ccccc3)n2)ccc1O 95407538 JLAOKTJRJVTTJN-GOSISDBHSA-N 409.530 4.775 0 40 HJAB COc1cccc([C@H]2SC(C)=Nc3c2c(O)nn3[C@H]2CCOC(C)(C)C2)c1OC 95480672 OOYQKAXJFIUUGH-SCLBCKFNSA-N 417.531 4.622 0 40 HJAB COc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 96221067 WEBWJKLMQAORQY-LJQANCHMSA-N 414.413 4.615 0 40 HJAB biogenic CC(C)c1sc(Cl)nc1C(=O)NCCCCCc1nc2ccccc2n1C 96232713 RVUWBWYVCYWPHB-UHFFFAOYSA-N 404.967 4.949 0 40 HJAB C[C@@H](NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)[C@H]1C[C@@H]2CC[C@@H]1C2 100562768 BDPXPHSMMKFMCJ-AAVRWANBSA-N 418.419 4.563 0 40 HJAB C[C@H](NC(=O)COC(=O)CSc1cc(Cl)ccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102149114 ULQGYGSMPQCGPV-PWNZVWSESA-N 416.370 4.570 0 40 HJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]3(C)c2cccnc2)cc1OC 106937179 YWWGNHGZPLSQLC-YKSBVNFPSA-N 401.466 4.515 0 40 HJAB CCc1ccccc1NC(=O)CCNC(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 222548966 ANCCSCRIKGAHGN-UHFFFAOYSA-N 412.921 4.592 0 40 HJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(N(C)C)cc3)N21 222705706 CKSCOSJHZYSXLO-PDIWNELESA-N 417.582 4.918 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 222855280 DWAKNBWYXLONAZ-GOSISDBHSA-N 414.977 4.831 0 40 HJAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)C1(c2ccccc2)CCOCC1 223726270 PPEGXKAQNGDDGY-UHFFFAOYSA-N 419.496 4.769 0 40 HJAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 224421016 XOHVAVPJRQOSHG-FCHUYYIVSA-N 415.497 4.584 0 40 HJAB O=C(N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1)c1ccccc1 224555730 NKRNJRQKVLUQKQ-XMMPIXPASA-N 410.473 4.525 0 40 HJAB Fc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCC1 225022657 AKHQRQQBYFPYTK-FGZHOGPDSA-N 406.530 4.927 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 225165042 LTYFBOOBMJEKSY-XWCAUFEOSA-N 424.497 4.544 0 40 HJAB CC(C)n1c(=O)sc2cc(NC(=O)COc3cccc(C(F)(F)F)c3)ccc21 225184218 GHQGDDCIOILVHM-UHFFFAOYSA-N 410.417 4.680 0 40 HJAB CCCOc1ccccc1CCCNC(=S)Nc1cc(C(=O)OC)ccc1Cl 225625678 WXGAPIMFYZBYPR-UHFFFAOYSA-N 420.962 4.835 0 40 HJAB CC(C)(C)C(=O)N1CC[C@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1 248245570 GUHKWTAWVRWMOF-QEJZJMRPSA-N 400.489 4.579 0 40 HJAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3C)CC2)on1 257340526 ZGODBYAMLAUZPF-VDHUWJSZSA-N 410.562 4.784 0 40 HJAB Cc1cccc(C)c1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 408669248 NQLQTUZOWWAFPM-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CCOc1cc(CNc2cccc(C)c2C)cc(I)c1OC 409117691 ONVPUOPTCOOQCZ-UHFFFAOYSA-N 411.283 4.927 0 40 HJAB O=C(Nc1ccc2ccccc2c1)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 409142343 YGBHPGFCPHUQCC-UHFFFAOYSA-N 416.462 4.747 0 40 HJAB O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)Nc1ccc2c(=O)[nH]ccc2c1 1645129049 CBOFVLKYFQJCTO-UHFFFAOYSA-N 418.880 4.942 0 40 HJAB O=C(Nc1cccc2c1CCNC2=O)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 1678415506 LHWGHZVRJUCZMR-YLJYHZDGSA-N 411.933 4.864 0 40 HJAB CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 704052 QOGAWZROYPZJBW-OAQYLSRUSA-N 416.433 4.546 0 40 HJAB COc1cccc(OC(=O)NC2(C(F)(F)F)Oc3cc(Cl)c(Cl)cc3O2)c1 841944 DIGUNNROWSUNJM-UHFFFAOYSA-N 424.158 4.778 0 40 HJAB CC(C)COC(=O)COc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 950718 MNSJNBPEIITHFI-UHFFFAOYSA-N 402.830 4.817 0 40 HJAB COc1cc(C(=O)N2N=C(c3cccs3)C[C@@H]2c2ccccc2)cc(OC)c1OC 991462 YIEPLISPTRCYDR-GOSISDBHSA-N 422.506 4.765 0 40 HJAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1cccc2ncccc12 1049518 YPIJYIUVYUEISC-OVKIHRCZSA-N 402.453 4.631 0 40 HJAB Fc1ccc(CN2COc3cc4c(cc3C2)OCN(Cc2ccc(F)cc2)C4)cc1 1461322 WDTKAFZAJMOFIF-UHFFFAOYSA-N 408.448 4.669 0 40 HJAB Cc1nn(-c2ccccc2)c(NC(=O)c2ccco2)c(-c2ccc(Cl)cc2)c1=O 2439549 CEGLXLFXNYHXPJ-UHFFFAOYSA-N 405.841 4.707 0 40 HJAB COc1ccccc1NCC(=O)Nc1ncc(Cc2cccc3ccccc23)s1 2887778 KAWJEFIJZXBZRI-UHFFFAOYSA-N 403.507 4.946 0 40 HJAB CCCCCOc1ccc(C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)cc1 3355265 URNJFSMCGAYPSS-UHFFFAOYSA-N 422.506 4.835 0 40 HJAB O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)N1CCc2ccccc21 3427239 CUVAEJCTULUCGH-UHFFFAOYSA-N 419.984 4.998 0 40 HJAB Cc1ccc(NC(=O)[C@]23C(=O)Oc4ccccc4[C@H]2[C@@]3(C)C(=O)c2ccccc2)cc1 4269542 ZCAFZRHANIOLSM-MZBJOSPHSA-N 411.457 4.526 0 40 HJAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 4614485 WCKFQTUDRVHYPL-JKSUJKDBSA-N 413.495 4.506 0 40 HJAB C[C@@H](NC(=S)NC(=O)c1ccccc1Br)C12CC3CC(CC(C3)C1)C2 4657386 CXZWOLXGJIBDCG-JSFDKUKPSA-N 421.404 4.658 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c(C)[nH]c3ccccc23)cc1 4702689 NEIUMEZAYTZSFU-RUZDIDTESA-N 409.489 4.969 0 40 HJAB CC(C)(C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 4703063 NUYGDBWAPDGMHQ-CQSZACIVSA-N 415.331 4.738 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1 4860390 YYEWYXDPHUNHEP-UHFFFAOYSA-N 418.522 4.934 0 40 HJAB Cc1nc2ccc(NC(=O)CSc3nccc(-c4ccc(Cl)cc4)n3)cc2[nH]1 4902055 WVEUDZKFFWQBIJ-UHFFFAOYSA-N 409.902 4.713 0 40 HJAB C[C@@H]1CN(C(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)C[C@@H](C)O1 5255859 CTNDVBYNPRXBPE-CHWSQXEVSA-N 419.597 4.595 0 40 HJAB COc1ccc(C)cc1NC(=O)COc1ccc2ccccc2c1Br 5346936 XEKHHMZLHZUZLX-UHFFFAOYSA-N 400.272 4.937 0 40 HJAB Cc1cc(NC(=S)NC(=O)c2cccs2)cc(-c2nc3ccccc3o2)c1O 6613132 SWKPOQAIBVDXDH-UHFFFAOYSA-N 409.492 4.697 0 40 HJAB Cc1cccc(N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)n1 6760710 CJGJLPUSYKKRNX-NRFANRHFSA-N 416.447 4.682 0 40 HJAB Cc1cccc(N2C(=O)CS[C@]23C(=O)N(Cc2ccccc2F)c2ccccc23)c1 6997206 KXHGTTQQQGYLHD-XMMPIXPASA-N 418.493 4.614 0 40 HJAB C[C@@H]1CCc2sc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc2C1 7814276 YLBFGJZECWIHIE-LLVKDONJSA-N 406.433 4.725 0 40 HJAB CCc1ccc(N2C[C@@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)cc1 7882530 UCPWIKAUPJTDDY-INIZCTEOSA-N 415.331 4.620 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1OC 8163755 XIUPANATOFLXON-CAOOACKPSA-N 407.850 4.733 0 40 HJAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3cccc(Br)c3)sc2c1 8903593 KVMXPHXUSARAIB-UHFFFAOYSA-N 419.300 4.876 0 40 HJAB COc1ccc(/C=C/C(=O)NCCC(=O)Nc2ccccc2Oc2ccccc2)cc1 9455012 GALHQQOFXPQNCZ-DTQAZKPQSA-N 416.477 4.646 0 40 HJAB Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)c(C)c1 9517696 UFKHLYLUBWKNJB-UHFFFAOYSA-N 423.929 4.817 0 40 HJAB Cc1ccn2c(=O)cc(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)nc2c1 9746932 UFBWZUHBNWASIV-GFCCVEGCSA-N 424.551 4.532 0 40 HJAB CCOc1ccc(Nc2nc(CSc3nc4ccccc4s3)cc(=O)[nH]2)cc1 9939347 VJMPDKZKXNSMSF-UHFFFAOYSA-N 410.524 4.814 0 40 HJAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)Nc1ccc2c(c1)OCO2 10260273 SMOOUKVVJMMAGD-UHFFFAOYSA-N 415.243 4.760 0 40 HJAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 10314745 OPJIOABYPBTWTB-UHFFFAOYSA-N 422.550 4.984 0 40 HJAB COc1ccc2cc([C@H](C)C(=O)NCc3cccc(NC(=O)C4CC4)c3)ccc2c1 10768635 UUUXULDMGNGRRS-INIZCTEOSA-N 402.494 4.617 0 40 HJAB Cc1cc(OCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)ccc1Cl 11667225 OIZUEYWIMKAZIT-UHFFFAOYSA-N 423.900 4.990 0 40 HJAB COc1ccc(NC(=O)Cn2cc(-c3nnc(-c4ccco4)o3)c3ccccc32)cc1 11695963 JAOAHQSCVDDWRQ-UHFFFAOYSA-N 414.421 4.599 0 40 HJAB CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(-c3ccccc3)cc2)C1 12365807 IWKZSDWOUQINCP-XZOQPEGZSA-N 405.567 4.900 0 40 HJAB COc1ccc(Br)cc1CN(C)C(=O)CCc1ccc2ccccc2n1 12534779 CHOFCRQUVBKZHE-UHFFFAOYSA-N 413.315 4.597 0 40 HJAB Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3F)o2)ccc1N1CCN(C)CC1 12637417 WKQZFPPSZILRJS-FMIVXFBMSA-N 419.500 4.798 0 40 HJAB Cc1cnc(-c2nc(C3CCN(Cc4ccc(Cl)cc4Cl)CC3)no2)cn1 13227840 OKAXAIZHGOJQRT-UHFFFAOYSA-N 404.301 4.521 0 40 HJAB COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccs1 13779295 VRVCUUPKDQNQKG-UHFFFAOYSA-N 404.491 4.754 0 40 HJAB C[C@H]1C[C@H](N(c2ccccc2)S(C)(=O)=O)c2ccccc2N1C(=O)c1ccccc1 14607299 RSHDVNNVMVTUMA-MBSDFSHPSA-N 420.534 4.633 0 40 HJAB CCOc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc(OCC)c1OCC 16301165 DYUJXYAMUCIGHY-UHFFFAOYSA-N 411.420 4.832 0 40 HJAB COc1ccc(C)cc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 17026353 LWSAVQBEMXDMQO-UHFFFAOYSA-N 415.902 4.547 0 40 HJAB CC1=CC(C)(C)N2C(=O)[C@]3(S[C@H](C)C(=O)N3c3ccccc3)c3cc(C)cc1c32 17082953 OSFXYNKICFYGKY-VOIUYBSRSA-N 404.535 4.858 0 40 HJAB CC1CCN(CCC(=O)C[C@@H](c2ccccc2)c2c(O)c3ccccc3oc2=O)CC1 17215264 KVSDYLTUWJAGOT-QFIPXVFZSA-N 419.521 4.712 0 40 HJAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1 19236874 ZRDXYACAOGFASE-VWLOTQADSA-N 417.528 4.912 0 40 HJAB O=C(CC1CCCCC1)N1CCC[C@H](c2nnc(-c3nccc4ccccc34)o2)C1 19376411 WBWZRCJCCSCVHX-IBGZPJMESA-N 404.514 4.961 0 40 HJAB CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C2CCCC2)C1 19447314 RJIPUERLYCGXHS-AREMUKBSSA-N 405.586 4.698 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(Cc2cccnc2)C1 19449617 XPHZOZGDRORJCT-VWLOTQADSA-N 419.594 4.770 0 40 HJAB CC[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCCN(Cc4ccncc4C)C3)cc2N1 19500877 RWCYJNURQPBREZ-AOIWGVFYSA-N 407.484 4.664 0 40 HJAB Cc1noc2nc([C@@H]3CCCN(C(=O)c4cc(C(C)C)on4)C3)cc(C(F)F)c12 19564097 ZFYOQOABHNFCSE-GFCCVEGCSA-N 404.417 4.600 0 40 HJAB COc1cc(C)c(-c2nc(NC(=O)c3ccc(-n4cnnc4)cc3)sc2C)cc1C 19655958 DPXFCWAGWQRWBH-UHFFFAOYSA-N 419.510 4.577 0 40 HJAB Cc1ccc(-c2nnc(SCc3ccc(I)cc3)o2)cc1 21146924 KNBWMVQYFBSGQA-UHFFFAOYSA-N 408.264 4.942 0 40 HJAB CCCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cccc(C)c3nc21 21596543 NDUHXUPJQODVEE-UHFFFAOYSA-N 408.889 4.974 0 40 HJAB CC[C@@H](C(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1)c1ccccc1 21687659 DJLXSUVNBRRITM-OAQYLSRUSA-N 423.557 4.787 0 40 HJAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cc(Cl)c(Cl)cc1Cl 23463897 KHIMAAKPSPIUHR-UHFFFAOYSA-N 420.079 4.664 0 40 HJAB O=c1[nH]c(CN2CCc3ccccc3C2)nc2scc(-c3ccccc3Cl)c12 23748595 PBQLNNUBNYPDNW-UHFFFAOYSA-N 407.926 4.863 0 40 HJAB Cc1ccc(-n2cnnc2SCC(=O)N2CCC[C@@H]2c2ccccc2)cc1Cl 25581528 QJVLIGCDWPSCKM-LJQANCHMSA-N 412.946 4.685 0 40 HJAB O=C(c1ccccc1)C1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 25681199 INZHTFRVFSNMKK-UHFFFAOYSA-N 411.299 4.666 0 40 HJAB O=C(Nc1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1)[C@@H]1CCCO1 28221543 ODJQFJBCOCUWSS-INIZCTEOSA-N 404.253 4.828 0 40 HJAB COc1cc(C(=O)N(Cc2ccccc2Cl)c2ccccn2)cc(OC)c1OC 28291129 ACEKZWWPBFQZSW-UHFFFAOYSA-N 412.873 4.608 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4ccc(Cl)cc4)nn32)c1 32097344 GHKOPHQNSUSTOS-SFHVURJKSA-N 422.872 4.886 0 40 HJAB COc1ccc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)c(OC)c1 33262432 LWMDYEAHTONPPF-UHFFFAOYSA-N 406.467 4.503 0 40 HJAB Oc1nc(SCc2c(F)cccc2Cl)nc2c1CN(Cc1ccccc1)CC2 33287242 LVWTUKHAWXKXKP-UHFFFAOYSA-N 415.921 4.825 0 40 HJAB COc1cc(-c2nc3ncccn3c2Nc2ccc(C(C)C)cc2)cc(OC)c1O 35606472 FAOGIOXLHZRZNQ-UHFFFAOYSA-N 404.470 4.986 0 40 HJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccccc1OC(F)(F)F)CC(O)=N2 36357824 MDGMGXUGRAIPFC-LLVKDONJSA-N 423.782 4.646 0 40 HJAB CSc1nnc(CCCNC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)n1C1CCCC1 40012228 RRDBQOZCOQAIDN-RSOUGRPKSA-N 414.575 4.594 0 40 HJAB Cc1cc(C)c(-n2cccn2)c(CN(CCCn2ccnc2)Cc2ccc(F)cc2)c1 43277685 HWYCLVLJWIXDTD-UHFFFAOYSA-N 417.532 4.917 0 40 HJAB O=C(Nc1cccc(CN2CCCCC2)c1)c1ccc(NC(=O)c2ccccn2)cc1 45735567 QIORNWGZOKYUOY-UHFFFAOYSA-N 414.509 4.572 0 40 HJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3C)n[nH]2)cc1 51315502 UMAYEAIEQIPLGL-UHFFFAOYSA-N 400.276 4.799 0 40 HJAB COC(=O)CC[C@@H](C)[C@@H]1CC[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 64220357 GRQROVWZGGDYSW-SHOZXRGMSA-N 406.607 4.566 0 40 HJAB biogenic Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC1)O2 72390739 OGLQNDFIRKEYAM-UHFFFAOYSA-N 408.885 4.770 0 40 HJAB CCOc1cc(CNc2cnc3ccccc3c2)ccc1OCC(=O)N1CCCCC1 95986258 YUYUOPRSLVKXTO-UHFFFAOYSA-N 419.525 4.637 0 40 HJAB COc1ccc(-c2csc(C3=C(O)CN(c4ccc(NC(C)=O)cc4)C3=N)n2)cc1 102720647 DWARHWRRGAKLHV-UHFFFAOYSA-N 420.494 4.544 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2CCCc3ccccc32)c1 223255784 CZOQPZZIYBEDJK-NRPPHEFGSA-N 400.478 4.553 0 40 HJAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223416709 SUCCZKUAVIVQGS-OAQYLSRUSA-N 400.950 4.982 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1Cc1cccnc1 223455596 AEECLDBGRANCET-FCHUYYIVSA-N 403.555 4.566 0 40 HJAB COc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3)o2)cc1 224906832 FHZWOQFCTQLWRV-UHFFFAOYSA-N 414.461 4.956 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCCc2ccc(OCC)cc2)cc1Cl 225622987 CBUOMKVZGKCXJR-UHFFFAOYSA-N 420.962 4.835 0 40 HJAB COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(OC2CCCC2)cc1 225787808 QCNHGALLWCFNCJ-INIZCTEOSA-N 400.544 4.771 0 40 HJAB CCC1(CC)C[C@@H](NC(=O)c2ccc(CN3CCCC3=O)cc2)c2ccccc2O1 225863557 SHLVTIYXIRLVQB-OAQYLSRUSA-N 406.526 4.621 0 40 HJAB CCOCCOc1ncc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C 225871571 OPISQZUVUNTMRE-UHFFFAOYSA-N 412.530 4.655 0 40 HJAB C[C@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NC2CCCC2)n1 226006200 ZJDCEJSOKBLKQS-INIZCTEOSA-N 411.575 4.877 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)c2cn(CC)c3ccc(C)cc3c2=O)cc1 408712954 DFCAKSKAAZPSPM-UHFFFAOYSA-N 406.482 4.539 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(C)n1-c1ccc(Cl)cc1 409108925 YVONSSOODGCGCA-UHFFFAOYSA-N 400.935 4.831 0 40 HJAB Cc1ccc2nc(O)c(CN(Cc3ccco3)C(=O)Cc3ccc(F)cc3)cc2c1 2037835100 ZDYKLAKFAVWYDL-UHFFFAOYSA-N 404.441 4.752 0 40 HJAB O=C1C[C@@]2(CCCN(Cc3cccc(C(F)(F)F)c3)CC2)Nc2ccccc2CN1 2037978220 IZWLGHBDOYDZSU-QFIPXVFZSA-N 417.475 4.562 0 40 HJAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 648839 XQTCDIUTEQVUAM-UHFFFAOYSA-N 423.586 4.875 0 40 HJAB CC(C)(C)NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1Cl 848575 PXXLHQYDJKPFGL-UHFFFAOYSA-N 414.790 4.736 0 40 HJAB O=C(NCc1ccccc1)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F 866026 XIWGMBNNSMJNOY-QZTJIDSGSA-N 418.394 4.613 0 40 HJAB COc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 990472 LLYBZVWTQOVZPL-UHFFFAOYSA-N 423.852 4.641 0 40 HJAB COc1ccc(NC(=S)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 1327079 QLFZDEODPUVKKA-UHFFFAOYSA-N 400.935 4.801 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc(C(C)=O)c1C 1450956 XPFHSNGDMWHHFK-ZWNOBZJWSA-N 418.342 4.966 0 40 HJAB O=C(Nc1ccccc1)OC[C@H](COc1ccccc1)OC(=O)Nc1ccccc1 2045279 SASJMKUFBWOQBM-NRFANRHFSA-N 406.438 4.931 0 40 HJAB CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccccc1 2428982 NNKTVPRKBUCQAU-FQEVSTJZSA-N 411.885 4.807 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2Cc2ccco2)cc1 2453975 XQQRPVSTOJXCQM-UHFFFAOYSA-N 418.522 4.934 0 40 HJAB CCCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(OCC)cc1 2706339 TVLCNBIGTNIKCM-UHFFFAOYSA-N 415.588 4.867 0 40 HJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c1C 3301750 LBPPUOSGYJGLHL-UHFFFAOYSA-N 416.399 4.920 0 40 HJAB CCNC(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 3475660 UCTCPUKMLOXGTK-UHFFFAOYSA-N 424.913 4.833 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)c(C)c1 3592492 BJKHMFYXHRCLLK-UHFFFAOYSA-N 423.586 4.612 0 40 HJAB CCOc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1cccc2ccccc12 4587930 NFMNJXPULYKNDN-FYJGNVAPSA-N 404.491 4.956 0 40 HJAB COc1ccc(-n2c(SCc3ccccc3)nc3ccccc3c2=O)cc1OC 5021491 HRDHBJAJJFWPGH-UHFFFAOYSA-N 404.491 4.695 0 40 HJAB Cc1ccc(S(=O)(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)s1 5108327 QDCLOPNBAVERRP-UHFFFAOYSA-N 412.989 4.663 0 40 HJAB O=c1[nH]c(CSc2ccc3c(c2)OCCO3)nc2scc(-c3ccccc3)c12 5173755 RXYMXDRUIFEWQR-UHFFFAOYSA-N 408.504 4.715 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3OC)n2)cc1 5575967 GIAXPUIPKYBSIQ-UHFFFAOYSA-N 401.422 4.673 0 40 HJAB O=C(N[C@H]1CCCc2ccccc21)c1cn(Cc2ccccc2)nc1-c1cccnc1 6553480 JMDCQFIROLBLDN-DEOSSOPVSA-N 408.505 4.801 0 40 HJAB CCCOc1cccc(C(=O)N(Cc2ccncc2)c2ccc(C(=O)OCC)cc2)c1 6629702 NTCUUTRIJPFNCQ-UHFFFAOYSA-N 418.493 4.894 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cnc(Cl)c(Cl)c3)n2)cc1 6905591 WVQDDBSUYJUMEK-UHFFFAOYSA-N 407.282 4.723 0 40 HJAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 7605384 UTZVSNAWGHIDIM-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB Cc1ccccc1-c1noc([C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)n1 8570280 RCIIBURYNCFBHQ-NRFANRHFSA-N 419.506 4.724 0 40 HJAB Cc1ccsc1CN(C[C@H]1CCCO1)C(=O)COc1ccc(Cl)cc1Cl 8869422 FMMGXGUKNBHPDM-OAHLLOKOSA-N 414.354 4.950 0 40 HJAB COc1ccc(-c2nnc(SCc3cc4c(cc3Br)OCO4)o2)cc1 8900968 ZWSXVIFRLPQBAI-UHFFFAOYSA-N 421.272 4.529 0 40 HJAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1ccco1 8923565 FTTPZRQMUKLINN-OAQYLSRUSA-N 416.260 4.594 0 40 HJAB CC(C)=CCOc1ccc2c(C)c(CCC(=O)Nc3nccs3)c(=O)oc2c1C 9303798 ZFYULDWXBXHPJS-UHFFFAOYSA-N 412.511 4.783 0 40 HJAB Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccc(Cl)cc4)c3C)ns2)cc1C 9638684 MRFNTGJLISACLS-UHFFFAOYSA-N 424.917 4.617 0 40 HJAB CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)CC1=O 10461926 XYPBQTNVBVJAOS-IBGZPJMESA-N 421.541 4.649 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)N(Cc1ccccc1)c1ccccn1 10814057 JPNXKCDVXJKNGE-INIZCTEOSA-N 411.299 4.845 0 40 HJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccc(C)cc2C)cc1 11116692 NOIFJWJRYVFJMY-FGZHOGPDSA-N 407.539 4.820 0 40 HJAB O=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1ccccc1-c1ccccc1 11693292 POTGYTSZAOSZHE-UHFFFAOYSA-N 409.489 4.996 0 40 HJAB COc1ccc2nc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cn2n1 11693385 QEFXRKIZHLJVQX-UHFFFAOYSA-N 412.371 4.676 0 40 HJAB Cc1cc(C)c2c(c1)SC1=N[C@@](c3ccccc3)(C(F)(F)F)N(C(N)=O)C(=O)N12 12788551 JZCLQBGWGPZJHM-GOSISDBHSA-N 420.416 4.501 0 40 HJAB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Oc3ccccc3)c2)c1 12898771 XHDUKSSJWDUCKW-UHFFFAOYSA-N 401.871 4.788 0 40 HJAB COc1ccc(CCC2CCN([C@@H](C)C(=O)Nc3c(F)cccc3F)CC2)cc1 12926848 GGMXKENELVRDJB-INIZCTEOSA-N 402.485 4.645 0 40 HJAB O=C(CSc1nc(Cc2cccs2)n[nH]1)Nc1ccc(SC(F)F)cc1 14846745 FULFEFNEGWZVPJ-UHFFFAOYSA-N 412.512 4.503 0 40 HJAB COC(=O)c1ccccc1Nc1c(-c2ccc(O)c(OC)c2)nc2ccc(C)cn12 15414430 SQEHBKSACLMGMM-UHFFFAOYSA-N 403.438 4.554 0 40 HJAB COCc1c(C(=O)OCc2nc(-c3ccc(C)cc3)no2)sc2cccc(F)c12 17938118 UMYQZPTVFYJPGC-UHFFFAOYSA-N 412.442 4.902 0 40 HJAB COc1cccc(CN2CCC[C@@H]2c2nnc(-c3nccc4ccccc34)o2)c1OC 19567858 YBFYUNHQWUFWKF-LJQANCHMSA-N 416.481 4.639 0 40 HJAB Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)c1 20241792 MWRBIZIRLGZGDA-UHFFFAOYSA-N 413.565 4.874 0 40 HJAB Cc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(F)cc1 20449425 QQJGTYSZAQJXTJ-MRXNPFEDSA-N 424.497 4.526 0 40 HJAB CCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)Nc3nc4ccccc4n32)cc1OC 20633439 SMIFGJPNYXADPG-JOCHJYFZSA-N 421.497 4.686 0 40 HJAB CSc1ccccc1NC(=O)c1cnc2scc(-c3ccc(F)cc3)n2c1=O 20767948 NBGHPYWYDHDLAW-UHFFFAOYSA-N 411.483 4.536 0 40 HJAB CCOC(=O)c1cc2c3ccccc3n(C)c2nc1N1CCC[C@H](C(F)(F)F)C1 22025143 PTKBWROYLVXLFP-ZDUSSCGKSA-N 405.420 4.682 0 40 HJAB CCn1cc(C(=O)N[C@H](C)CCc2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21 22236993 WVEHLLRUVQRVMS-OAHLLOKOSA-N 416.443 4.791 0 40 HJAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22931161 IDUJSLFQEFAEHP-LJQANCHMSA-N 404.558 4.835 0 40 HJAB O=C(NC1CCN(C(=O)c2sccc2-c2ccccc2)CC1)c1ccc(F)cc1 25210660 VFBKMTJEKIMZJZ-UHFFFAOYSA-N 408.498 4.589 0 40 HJAB COC(=O)c1cc(/C=C/C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)oc1C 25257031 OHPKHCROZZONGQ-GQCTYLIASA-N 417.767 4.621 0 40 HJAB Cc1cc(OCC(=O)NC[C@@H](c2cccs2)N2CCCCCC2)ccc1Cl 27662509 YNGKRUSIGGLHCB-IBGZPJMESA-N 406.979 4.822 0 40 HJAB CCc1ccccc1Nc1nnc(SCc2cccc(C)c2)n(-n2cccc2)c1=O 28536539 OKZOUAWRVUDDFS-UHFFFAOYSA-N 417.538 4.658 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccc(-c2ccc(F)cc2)o1 29674244 NTYWMXVIHOWMSZ-QFIPXVFZSA-N 404.441 4.666 0 40 HJAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C(F)(F)F)cc3)N(C)C)no2)cc1 32622379 VQMRFUZQGINPLA-LJQANCHMSA-N 417.431 4.702 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccccc3OC)n2)cc1 32622496 MUWFYTXHPRYYRL-UHFFFAOYSA-N 401.422 4.673 0 40 HJAB CCN1CCN(c2ccccc2NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CC1 40103958 UFTODRSXDMBDJJ-QGZVFWFLSA-N 400.954 4.707 0 40 HJAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)cc1F 40113891 QYGAPPMQUNGNPG-UHFFFAOYSA-N 423.315 4.610 0 40 HJAB Cc1cc([C@H](C)NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)c(C)s1 44490882 LJOFVURJEPAKIW-INIZCTEOSA-N 413.564 4.830 0 40 HJAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 44883951 FJYBSCRMQVMCAN-SFHVURJKSA-N 417.509 4.541 0 40 HJAB Cc1cc(O[C@H](C)C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)ccc1C(C)C 48332328 IEPTUKGOJBDBEV-VGOFRKELSA-N 409.505 4.664 0 40 HJAB COc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OCN(Cc2ccccn2)C4)cc1 54313361 IATVXLDSWPSOAI-UHFFFAOYSA-N 414.461 4.524 0 40 HJAB biogenic Cc1occc1-c1cc(NC(=O)c2ccccc2)n(CCOC(=O)c2ccccc2)n1 58392152 VRLJLNDPUOETOW-UHFFFAOYSA-N 415.449 4.561 0 40 HJAB COc1cccc(-n2nc(-c3nc(-c4ccc(C)c(C)c4)no3)c3ccccc3c2=O)c1 64949736 BCJAPJIFPZSHKR-UHFFFAOYSA-N 424.460 4.728 0 40 HJAB Cc1ccc(F)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)c1 67293096 UACYKMIWWFUKOJ-ZLXSMEDCSA-N 414.864 4.675 0 40 HJAB O=C(c1cccnc1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 72359502 LOFIDHPICNORJV-UHFFFAOYSA-N 412.415 4.577 0 40 HJAB C[C@@H](O)C[C@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1 79104798 ROGKNUOYGFROCJ-WIYYLYMNSA-N 407.485 4.689 0 40 HJAB COC(=O)c1nc(NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)sc1C 95475346 SRCMZZBBLJDUPF-OAHLLOKOSA-N 417.918 4.506 0 40 HJAB O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)N1CCC[C@@]2(CC=CCC2)C1 95959754 PKGFQODUMRFGKZ-PMACEKPBSA-N 424.488 4.785 0 40 HJAB CCOCCCNC(=O)c1ccc2onc(-c3coc(-c4ccc(C)cc4)n3)c2c1 96037813 OUWBIUKRSPVDLV-UHFFFAOYSA-N 405.454 4.615 0 40 HJAB O=S(=O)(NCc1cccc(Oc2ccccn2)c1)c1cc(Cl)ccc1Cl 96382800 AILHVDUNNFCCDK-UHFFFAOYSA-N 409.294 4.659 0 40 HJAB CCOCc1ccc(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3)CC2)cc1 100744818 AAPSRYNERGNKLI-RVWIWJKTSA-N 418.541 4.712 0 40 HJAB CCOc1ccc(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)cc1 102529238 IFNYBLABQBKPEO-UHFFFAOYSA-N 413.477 4.582 0 40 HJAB CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2ON1c1ccccc1 102726151 NJBXYNKCLWDUAR-JBJBFBLISA-N 406.526 4.890 0 40 HJAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2nc(S[C@H]3C=CCCC3)sc2c1 104213372 LEFZOUDMQFBAFK-RSADAIHESA-N 408.548 4.809 0 40 HJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(Br)ccc1OCC 106107719 ZOELXUMUEPPHKS-INIZCTEOSA-N 423.332 4.616 0 40 HJAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@@]21C 118915906 HSVJCMLFGCXOCJ-VTEBDDDSSA-N 402.575 4.935 0 40 HJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc(OC)c(OC)c1 219690446 AFCOGAFOQFGFES-CXAGYDPISA-N 422.319 4.501 0 40 HJAB CC[C@@H](C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1)c1ccccc1 220689609 KQWLVGBLFFFMST-IEBWSBKVSA-N 407.489 4.851 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 222410931 IANBYTKTNQMOSX-OAQYLSRUSA-N 400.950 4.523 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1C 222810461 RDVLIBFNOBDFFZ-GOSISDBHSA-N 414.977 4.831 0 40 HJAB CCCC[C@@H](CC)CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 223464556 DRORETUCNGCYLU-HXUWFJFHSA-N 416.587 4.523 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1Cc1ccccn1 223551526 DYZFTPBDWVDEDX-XZOQPEGZSA-N 412.518 4.909 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(C)cc1 223957223 MPWOYHFBDYDYKM-QHCPKHFHSA-N 422.550 4.985 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 224353551 LKYYBSDHVRMXPH-LJQANCHMSA-N 422.953 4.515 0 40 HJAB CCC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224354935 HYKQCHWIACGBTO-HXUWFJFHSA-N 400.950 4.605 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl 225167173 PRKJAWDAZVAPCE-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 225396072 OVCLXSAXURJRBY-JOCHJYFZSA-N 419.525 4.740 0 40 HJAB COc1cc(C(=O)O)cc(Br)c1OC(=O)c1cccc2ccccc12 226364690 WYQJBHFYOVIBHW-UHFFFAOYSA-N 401.212 4.528 0 40 HJAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCC[C@H](C)C3)cc2)CCCC1 260814683 MGECJCHULUSPJF-FQEVSTJZSA-N 402.579 4.865 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1NC(=O)CC 408698819 SBTLFDFYNWRXSH-UHFFFAOYSA-N 404.532 4.666 0 40 HJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)Nc3cccc(Cl)c3)c1)C2=O 408720987 CHLQNGYIBUKAMB-FDDCHVKYSA-N 410.901 4.908 0 40 HJAB CCOc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1ccco1 408838894 JUSHWCIZCFKGBS-QGOAFFKASA-N 417.417 4.550 0 40 HJAB C[C@@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(F)c2ccccc12 551005658 NEQFUZDUDXWFMB-YLJYHZDGSA-N 406.501 4.739 0 40 HJAB Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2CC(=O)N1c2ccccc2CCc2ccccc21 583705997 KAXIKIXHSDSESD-PKTZIBPZSA-N 424.548 4.504 0 40 HJAB O=C(O)c1ccc2c(c1)Cc1cccc(c1)CN(C1CCCCC1)CCOCCO2 643583003 DZGYLZUZFLLXQV-UHFFFAOYSA-N 409.526 4.519 0 40 HJAB CN(C)[C@H](CNC(=O)c1ccccc1Br)c1csc2ccccc12 1889070493 IEAJEDKLSFNUJB-QGZVFWFLSA-N 403.345 4.697 0 40 HJAB CCc1ccc(OCC(=O)NC(=S)Nc2ccc(C)cc2C)c(Br)c1 676756 ZLLYDCCBOVQMFM-UHFFFAOYSA-N 421.360 4.520 0 40 HJAB CCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1ccccc1F 718778 QENQBBZYPDQNIY-UHFFFAOYSA-N 423.484 4.940 0 40 HJAB Cc1ccc(CN(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 800159 KKDWDGUHKUCWAT-SFHVURJKSA-N 424.488 4.748 0 40 HJAB Cc1c(O[C@@H](C)C(=O)OCc2ccccc2Cl)ccc2c3c(c(=O)oc12)CCC3 952290 CYWCUTCSKVOYDG-AWEZNQCLSA-N 412.869 4.754 0 40 HJAB COc1cccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c1OC 1417211 VNYKFUPQTKJKAO-SXGWCWSVSA-N 407.850 4.733 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 1457816 OTNTWDSJPWQGAX-QFIPXVFZSA-N 424.972 4.674 0 40 HJAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1 2388813 XPCMLOKOPQEVDL-MHECFPHRSA-N 412.264 4.536 0 40 HJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc4c(c3)OCO4)c2n1 2659096 LSQRYBSBQPJHEM-UHFFFAOYSA-N 405.237 4.596 0 40 HJAB Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)c2c[nH]c3ccccc23)c1 3328029 ANYKRAFKCXNAGT-UHFFFAOYSA-N 412.445 4.768 0 40 HJAB CC(C)N(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C(C)C 3465725 LLOJTJGATQQFTM-UHFFFAOYSA-N 412.534 4.811 0 40 HJAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccccc1-c1ccccc1 3467614 MOLYCRALFAYRDR-UHFFFAOYSA-N 414.486 4.654 0 40 HJAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 4194946 FGJISCXMOJMXRL-CYBMUJFWSA-N 407.297 4.774 0 40 HJAB c1ccc(COC[C@@H]2O[C@H]3c4ccccc4CO[C@@H]3[C@H]2OCc2ccccc2)cc1 5882337 DDSMNKYRACJCFU-CQJMVLFOSA-N 402.490 4.828 0 40 HJAB CCCCCCOc1ccc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc1 6604800 KACHWKYPEVOFBI-OBGWFSINSA-N 418.493 4.998 0 40 HJAB COc1ccccc1-c1noc(COC(=O)c2ccccc2Oc2ccccc2)n1 7129065 ZJXGPYVMKWJHNA-UHFFFAOYSA-N 402.406 4.895 0 40 HJAB CCn1c(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)nnc1N1CCOCC1 7723012 SPVNAFVGRDUPBK-IBGZPJMESA-N 414.962 4.670 0 40 HJAB Cc1nc(-c2cccc(NC(=O)CCc3nc(-c4ccc(F)cc4)no3)c2)cs1 8186162 RWDHKXPNJBRZLW-UHFFFAOYSA-N 408.458 4.879 0 40 HJAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cccc(OCc2ccccc2)c1 8381278 BNKNMUMGDONNMN-UHFFFAOYSA-N 420.578 4.839 0 40 HJAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)cc1 8475456 RNGYZPUVGBMXMM-HNNXBMFYSA-N 400.434 4.586 0 40 HJAB COc1cc(-c2nnc(SC(C)C)n2-c2ccccc2F)cc(OC)c1OC 8622112 DBOZEJRPSDPJOQ-UHFFFAOYSA-N 403.479 4.600 0 40 HJAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cc(-c2ccccc2)on1 9531722 ZQOJXPHAPIEOPP-AREMUKBSSA-N 423.472 4.532 0 40 HJAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 9707779 KJWWMSBZEYMNGR-UHFFFAOYSA-N 415.323 4.649 0 40 HJAB CC(=O)c1ccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 9876821 UYLRSXUGXKDWFK-UHFFFAOYSA-N 408.354 4.715 0 40 HJAB CC(C)c1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 9990730 WKINHGHJGJWOES-BJMVGYQFSA-N 419.521 4.716 0 40 HJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccc(Br)cc1 11692522 ILHQUCSBGRLEMN-IBGZPJMESA-N 412.331 4.921 0 40 HJAB COc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCCCCC2)cc1 11905323 NOCJIMCCAUGSPW-QHCPKHFHSA-N 419.525 4.697 0 40 HJAB O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCc2ccccc21 12854593 BWOLGRCIZKTQCO-VWLOTQADSA-N 414.530 4.664 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)c3C)C2)c2ccccc12 12978034 VZEQQLONMIGGEF-IBGZPJMESA-N 416.521 4.956 0 40 HJAB CCN(C(=O)CSc1nnc([C@@H](C)Oc2ccccc2F)o1)c1ccccc1C 12983269 IGQDBSXBMGUCIU-OAHLLOKOSA-N 415.490 4.802 0 40 HJAB CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Oc2cccc(F)c2)c1 13096929 FYLLPQORPMYZQW-UHFFFAOYSA-N 419.861 4.523 0 40 HJAB COc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)cc1C 14186290 XEBUVADMDJPFGD-UHFFFAOYSA-N 420.383 4.522 0 40 HJAB O=C(N[C@@H](CC(=O)N1CCc2sccc2C1)c1ccccc1)c1ccccc1Cl 14804079 SQCKPKMCGLYATN-FQEVSTJZSA-N 424.953 4.848 0 40 HJAB CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)N2CCCc3ccccc32)o1 15881488 PYLAMPQHKMSHRC-UHFFFAOYSA-N 400.482 4.794 0 40 HJAB COC[C@H](C)n1c(-c2ccc3c(c2)NC(=O)CO3)cs/c1=N\c1c(C)cccc1C 15910176 CLHATTKVSHAMBP-LDWQWDCMSA-N 423.538 4.604 0 40 HJAB CCOc1cc(C=O)cc(Cl)c1OCc1cccc(I)c1 16688596 CJXWUWNTBIYASM-UHFFFAOYSA-N 416.642 4.735 0 40 HJAB O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)N1C1CC1)c1ccc(Cl)s1 17837010 AEGPTXPJPTXSBA-AQTBWJFISA-N 414.943 4.741 0 40 HJAB CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)CC2CCCCC2)CC1)c1ccccc1 19526667 QQNORDLLASIZAQ-UHFFFAOYSA-N 422.573 4.753 0 40 HJAB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccc(Cl)cc1 19927815 AEAFQNUJSKABOP-UHFFFAOYSA-N 423.723 4.618 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c(C)c1 20044674 QYWGGAVFKRWIGT-GOSISDBHSA-N 408.523 4.595 0 40 HJAB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc2ccccc2c1 20611580 YGVXWHJKZWKODC-UHFFFAOYSA-N 411.299 4.691 0 40 HJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1C 22522896 ICYYMTLWQVGHKP-SFHVURJKSA-N 424.522 4.510 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)NCCOc1cccc(C(F)(F)F)c1 23142490 JOHNVXACUFGUSU-UHFFFAOYSA-N 408.203 4.586 0 40 HJAB COc1cc(CN(C(=O)c2ccc(Cl)cc2)c2ccccn2)cc(OC)c1OC 27579658 UMHSWOIYCMIMCO-UHFFFAOYSA-N 412.873 4.608 0 40 HJAB O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 29116930 DWLWDFYWGXLEJI-QFIPXVFZSA-N 423.871 4.924 0 40 HJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1 30942600 VJBAUPXKCCKQSD-UHFFFAOYSA-N 407.558 4.843 0 40 HJAB Cc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)cc1C 33089192 NRMIOTHVDNEFON-CYBMUJFWSA-N 411.299 4.750 0 40 HJAB O=C1N=C(O)/C(=C/c2ccccc2Sc2ccccc2)C(=O)N1Cc1ccco1 33850667 JUQHVSNBHFSDRO-AQTBWJFISA-N 404.447 4.933 0 40 HJAB Cc1ccc(-c2csc3c(=O)n(CC(=O)Nc4c(C)cccc4C)cnc23)cc1 38651715 ZEHNLWBKBNKFRR-UHFFFAOYSA-N 403.507 4.689 0 40 HJAB O=C(NCCSCc1ccccc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38836994 IXNHLSUTNVCVPI-HXUWFJFHSA-N 402.991 4.602 0 40 HJAB CC(C)c1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)nn1C(C)(C)C 40140297 KTCPKSKVWQKXCG-UHFFFAOYSA-N 422.495 4.743 0 40 HJAB Cc1ccc(C(=O)CCC(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc1C 40146841 AVOAXLIGAWZMBA-UHFFFAOYSA-N 403.526 4.748 0 40 HJAB Cc1cccnc1NC(=O)c1ccc(Oc2ccc(F)cc2Br)nc1 44907931 ZXINUJIOPQZXDU-UHFFFAOYSA-N 402.223 4.731 0 40 HJAB CCCCc1ccc(NC(=O)Cn2c(Nc3ccc(F)c(C)c3)nc(C)cc2=O)cc1 57507843 SCZXLKDSTMUYNW-UHFFFAOYSA-N 422.504 4.724 0 40 HJAB Cc1nc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)cs1 58008402 PQXLXDDMVBJDTI-UHFFFAOYSA-N 402.523 4.885 0 40 HJAB Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1cc(Cl)cc(Cl)c1 58178691 IRICEWJAPOPLSG-UHFFFAOYSA-N 409.338 4.743 0 40 HJAB Cc1noc([C@H](NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c2ccccc2)n1 58314312 LYBYMZNSSKUUNJ-OAQYLSRUSA-N 422.872 4.525 0 40 HJAB CCc1cccc(C)c1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCC(C)CC2 71327885 RPFSGYVJROJJNP-UHFFFAOYSA-N 417.553 4.734 0 40 HJAB Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(c4ccc(Cl)s4)=NO3)c2)oc1C 84061773 ZIHKCBMTAOCYLU-HNNXBMFYSA-N 401.875 4.805 0 40 HJAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3cnc(-c4ccc(C(C)C)cc4)s3)C2=O)o1 84195219 HPQQJVWPZANNRX-JOCHJYFZSA-N 409.511 4.802 0 40 HJAB COc1ccc(Br)c(C(=O)N(Cc2ccoc2)Cc2cccs2)c1 90612173 MOTVKQHMQYGMGJ-UHFFFAOYSA-N 406.301 4.955 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 95463153 CGQHCCSOVGURIS-VWLOTQADSA-N 422.488 4.928 0 40 HJAB CO[C@@H]1CCN(c2ccc(NC(=O)NC(c3ccccc3)c3ccccc3)cc2)C1 96122335 CDSPDQCENKRBRM-HSZRJFAPSA-N 401.510 4.823 0 40 HJAB O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(Br)c(C(F)(F)F)c1 98072944 PDHUOMUYSMEQEP-UHFFFAOYSA-N 416.165 4.547 0 40 HJAB C[C@]12CC[C@H]3c4ccc(OC(=O)CCN5CCCCC5)cc4CC[C@H]3[C@H]1CCC2=O 105366100 KBZHXUQCKRKJLU-JTKRFKOTSA-N 409.570 4.893 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)c1 136693693 SGYKQRVHIGMOCR-XWIAVFTESA-N 410.901 4.826 0 40 HJAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1cccc(N2CCCC2=O)c1 219208872 MUCQCLQUZOLXBX-UHFFFAOYSA-N 423.365 4.783 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 222607822 OEAFVUYDAKVZOB-OAQYLSRUSA-N 416.562 4.640 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222732571 CHMPMJVFBCDSRC-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB Cc1nc(NC(=S)NCc2ccc(Cl)cc2)c(Cl)cc1Br 223928443 ZDQHHQLWIMUZSM-UHFFFAOYSA-N 405.148 4.946 0 40 HJAB CC(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 224073571 OUDAJOZNYPYRJA-UHFFFAOYSA-N 408.523 4.541 0 40 HJAB Cc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)c1 224114084 GLKBWEBZPDCFJY-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 257317984 VLZTVYAKMJPYMK-SFHVURJKSA-N 418.516 4.818 0 40 HJAB CCc1cccc2c(/C=C3\SC(=O)N(CCOc4ccc(F)cc4)C3=O)c[nH]c12 409130827 NPJNZUQDJSHEGB-UNOMPAQXSA-N 410.470 4.985 0 40 HJAB C[C@@H]1COc2ccccc2CCCCC2(CCN(Cc3cccc(F)c3)CC2)C(=O)N1 643566944 MFDXVKCYJSLCSK-HXUWFJFHSA-N 424.560 4.718 0 40 HJAB CCCCN([C@@H]1CCC[C@@H](C)C1)S(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C 1663585861 VSHNRJABINQVJC-RHSMWYFYSA-N 415.983 4.805 0 40 HJAB O=c1oc2ccc(Br)cc2cc1-c1nnc(Nc2ccccc2)s1 666584 WKWGXSOORYKJHI-UHFFFAOYSA-N 400.257 4.818 0 40 HJAB CC(C)(C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 865926 CMXCWUCIFUSPMD-SCZZXKLOSA-N 406.861 4.787 0 40 HJAB O=C(C[C@@]1(O)C(=O)N(Cc2ccc3ccccc3c2)c2ccccc21)c1ccccc1 1320508 KNMRAHSETZJVGI-MHZLTWQESA-N 407.469 4.847 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc(C(C)=O)c1C 1450958 XPFHSNGDMWHHFK-GXFFZTMASA-N 418.342 4.966 0 40 HJAB CCOc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2N=CNC2=N3)cc1 2267688 COKQPBUCEUGRFT-LOSJGSFVSA-N 422.488 4.890 0 40 HJAB Cc1ccc(C(=O)N2CCN(c3nnc(-c4ccc(C)cc4)c4ccccc34)CC2)cc1 2369653 FKMNMJCQWORPHD-UHFFFAOYSA-N 422.532 4.876 0 40 HJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@@H](C)SC2=N1 2463221 BWTWZELDXYHCMO-RDTXWAMCSA-N 400.544 4.584 0 40 HJAB COc1ccc(Cn2cc(C(=O)c3ccc(OC)cc3)c(=O)c3cc(C)ccc32)cc1 2691896 CDTOQXCFIKPTJL-UHFFFAOYSA-N 413.473 4.606 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)Nc3nc4ccccc4s3)s2)cc1 3250072 AQLIJUNWKGJVEC-UHFFFAOYSA-N 413.553 4.931 0 40 HJAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 3359802 APBNLNRIRVECNU-UHFFFAOYSA-N 411.479 4.533 0 40 HJAB CC(=O)N1CCc2c(sc(NC(=O)C(C)(C)C)c2-c2nc3ccccc3s2)C1 4275249 QGNQDDAPSAVFDT-UHFFFAOYSA-N 413.568 4.914 0 40 HJAB O=C(c1ccc(Br)cc1)N1C(=S)C(c2ccccc2)=NC12CCCC2 4892077 NDONDICDSAHHJD-UHFFFAOYSA-N 413.340 4.992 0 40 HJAB O=C(Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)C12CCC(CC1)C2 5714258 SHDLXAQTDMEQJC-UHFFFAOYSA-N 404.919 4.660 0 40 HJAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 5866911 TZHCEFUSMZAVKF-HSZRJFAPSA-N 413.477 4.629 0 40 HJAB COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2)cc1 5880149 BNSKKDXICJFHPC-HSZRJFAPSA-N 418.493 4.735 0 40 HJAB COc1ccc(-c2csc(NC(=O)CCOc3cc(C)ccc3C)n2)cc1OC 6334103 ZEJYEJLJJHBNGL-UHFFFAOYSA-N 412.511 4.852 0 40 HJAB CCN(C(=O)CSc1nnc(Cc2cccs2)n1C1CC1)C1=CCCCC1 7844547 GFQGQDZUENCCBM-UHFFFAOYSA-N 402.589 4.664 0 40 HJAB COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(Cl)c1Cl 8115706 LANZRBKFFDJXHT-UHFFFAOYSA-N 414.354 4.645 0 40 HJAB Cc1ccccc1OCc1nn(CC(=O)Nc2ccc3ccccc3c2)c(=S)o1 8571607 BQJLLFCQVIJNNP-UHFFFAOYSA-N 405.479 4.885 0 40 HJAB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 8720519 FETVDIYATCFHBZ-MRXNPFEDSA-N 403.482 4.760 0 40 HJAB COc1cccc(CNC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)c1 8854472 MBTSFXWFBKTYSV-UHFFFAOYSA-N 418.971 4.956 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@@H](NCc1ccc(CN2CCCC2)cc1)c1ccccc1 9503024 PSFJIJNVBUGJGH-VWLOTQADSA-N 417.528 4.891 0 40 HJAB C[C@@H]1c2ccsc2CCN1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 9577668 TZYNNNDUYPNRCG-OAHLLOKOSA-N 403.979 4.695 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nc2c(oc3ccccc32)c1=O 9752153 BAKCVYSBCQBRAP-UHFFFAOYSA-N 413.886 4.547 0 40 HJAB CC(C)n1ncc2c(C(=O)NCc3csc(-c4ccccc4)n3)cc(C3CC3)nc21 10893845 MJTJUTKHGLKAMI-UHFFFAOYSA-N 417.538 4.943 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)CCc2nc(-c3ccccc3)no2)cc1 12753789 YAKDCFOUYVSRSD-OAQYLSRUSA-N 405.498 4.822 0 40 HJAB O=C(Cc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 13069038 XNVAOSFKBHHJRM-UHFFFAOYSA-N 422.550 4.586 0 40 HJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(Br)cc1 13568041 HGOBAWCLXUSATR-UHFFFAOYSA-N 424.254 4.913 0 40 HJAB C[C@H]1CCc2c(sc3ncnc(N4CCC[C@@H](c5nnc6n5CCCCC6)C4)c23)C1 14017344 QUOWRXJZZDSSFE-JKSUJKDBSA-N 422.602 4.518 0 40 HJAB COc1cc(OC)c(NC(=O)c2cnc(SC)n2-c2ccc(F)cc2)cc1Cl 15324597 DALMPPXGWRFEOA-UHFFFAOYSA-N 421.881 4.656 0 40 HJAB CCC(=O)Nc1ccccc1SCc1cc(=O)n2nc(C(CC)CC)sc2n1 15731981 GXAAVQQOWJPNTA-UHFFFAOYSA-N 416.572 4.695 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 17987736 LQOPOFPJRSVIOF-HZPDHXFCSA-N 416.399 4.637 0 40 HJAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccc2c(c1)OCO2 18107154 HZUUHPPTERJGMK-UHFFFAOYSA-N 414.255 4.710 0 40 HJAB O=C(c1cccc2cccnc12)N1CCO[C@H](c2ccc(-c3ccccc3F)cn2)C1 19692626 IGKYXQANHWMTAA-QHCPKHFHSA-N 413.452 4.650 0 40 HJAB Cc1nc([C@@H]2CCCCN2Cc2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 19755794 QAOIJBLVGHWTHG-QFIPXVFZSA-N 404.489 4.904 0 40 HJAB COc1ccc2nc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)sc2c1 22432410 KMEMFSLLGOHYTD-UHFFFAOYSA-N 421.316 4.864 0 40 HJAB Cc1nc(N2CCN(Cc3nc4ccccc4s3)CC2)c2c(C)c(C)sc2n1 23990184 OHRDPUCNGLGTIK-UHFFFAOYSA-N 409.584 4.548 0 40 HJAB O=C(COc1cccc(C(F)(F)F)c1)Nc1cc2c(cc1Cl)OCCCO2 26980923 MMQSVRSRTDWKFZ-UHFFFAOYSA-N 401.768 4.538 0 40 HJAB CN1CCC2(CC1)C[C@H](NC(=O)Nc1cccc3ccccc13)c1ccccc1O2 30529154 BJFDRRRGXSOFPT-QFIPXVFZSA-N 401.510 4.950 0 40 HJAB COc1ccc(Cl)c(NC(=O)[C@H]2CC(O)=Nc3cc(-c4ccc(F)cc4)nn32)c1 32092537 LTFUXWWMSYHCCW-QGZVFWFLSA-N 414.824 4.523 0 40 HJAB Cc1cc(C(=O)NC2CCCCCCC2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 33272059 JTUYXECAEQYNET-UHFFFAOYSA-N 412.555 4.643 0 40 HJAB O=C(NCCC1=CCCCC1)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290481 FEPCACYUNHRBHN-GOSISDBHSA-N 404.514 4.599 0 40 HJAB O=C(CSc1nc2ccccc2n1Cc1ccccc1F)NCc1cccs1 35289695 JIEONBHZSJITMC-UHFFFAOYSA-N 411.527 4.694 0 40 HJAB CC(C)[C@H](NC(=O)c1cc(F)ccc1Br)c1ccc2c(c1)OCCCO2 36729614 DOQCKZUKSCABCA-IBGZPJMESA-N 422.294 4.877 0 40 HJAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 56208146 JOVRPRLTPRSLJH-UHFFFAOYSA-N 414.309 4.866 0 40 HJAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(Oc2ccccc2)c1 58123505 YHIWGDMDXLMEFH-UHFFFAOYSA-N 421.928 4.893 0 40 HJAB CCn1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c(=O)c2cc(F)ccc21 64961041 HZWGAEBSOCDJSH-UHFFFAOYSA-N 403.335 4.896 0 40 HJAB COc1cccc(CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)c1 67259895 MWCOHYKFPNRDKN-UHFFFAOYSA-N 412.511 4.946 0 40 HJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl 102218611 AJBJYIWZJYWDJP-JKIFEVAISA-N 416.345 4.637 0 40 HJAB C[C@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 195529617 BHIBQOONCFCENX-KAUDDPROSA-N 401.522 4.510 0 40 HJAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4)C3=O)o2)cc1 214056877 GLDQKHKDECSZOX-DEDYPNTBSA-N 419.458 4.970 0 40 HJAB Cc1cc(OCC(=O)NCc2cccc(OC(C)C)c2)cc(C)c1Br 218839076 HJTFUKMEWZVXPW-UHFFFAOYSA-N 406.320 4.548 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSc1ccccc1 222562942 NSBGDHVCGFLLPE-SIKLNZKXSA-N 412.599 4.543 0 40 HJAB Cc1cc(C)c(NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)c(C)c1 222666203 SPPYYEMJBHKNBJ-UHFFFAOYSA-N 422.978 4.759 0 40 HJAB COc1ccc(-c2noc(CNC(=O)CCCSc3ccc(Cl)cc3)n2)cc1 222696791 HQCSPRPTQPUNAX-UHFFFAOYSA-N 417.918 4.587 0 40 HJAB CCN(c1ccc(C(=O)Nc2ccc(C)cc2C)cc1)S(=O)(=O)c1ccccc1 224353886 MKUDQTCLKHUDDT-UHFFFAOYSA-N 408.523 4.771 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 225131242 HJAQTMHDSCVHST-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)N[C@H](C)CC)cc1 225411734 PJJSWWTYFPNLKV-UXHICEINSA-N 424.585 4.522 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 225510796 UBCSTDVOFIFYDX-AVRDEDQJSA-N 414.977 4.913 0 40 HJAB Nc1nnc(-c2cc(Cl)c(OCc3cccc(Br)c3)c(Cl)c2)o1 226325718 KOTRCOWWUBSHKK-UHFFFAOYSA-N 415.074 4.967 0 40 HJAB COc1ccccc1CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2OC)o1 257336075 YNBDAPBBOHDPNK-NRFANRHFSA-N 420.509 4.579 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1c2ccccc2C[C@H]1C 260839018 GQDSERQXEGCKSF-KBMIEXCESA-N 406.570 4.680 0 40 HJAB Cc1ccc(C(=O)NC2CCCCCCC2)cc1S(=O)(=O)Nc1ccccc1 408621848 PKLIUWMHDYVVJA-UHFFFAOYSA-N 400.544 4.639 0 40 HJAB COc1ccc(Br)c2c1-c1nc(Nc3ccccc3F)sc1CC2 408891092 LINCZKAZJYLDJB-UHFFFAOYSA-N 405.292 5.563 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2C)c(C)c1 409412374 VLICHYFFHSJCAG-UHFFFAOYSA-N 416.587 4.823 0 40 HJAB O=C(Cc1cc(F)cc(F)c1)N1CCC[C@@]2(CCCN2Cc2cccc(F)c2)CC1 585100699 UAELQSIFZORRLI-XMMPIXPASA-N 416.487 4.694 0 40 HJAB Cc1cc(CN[C@@H](C)[C@@H](O)C(F)(F)F)cc(C)c1OCc1ccccc1Cl 1658414969 GLDSPPWQCOYPLO-IFXJQAMLSA-N 401.856 4.937 0 40 HJAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccccc2OC)n1CC 650881 YHJIRMLSUPTOSZ-UHFFFAOYSA-N 424.570 4.829 0 40 HJAB CCc1cccc2c(S[C@H](C)C(=O)NC[C@@H]3CCCO3)nc(-c3ccccc3)nc12 1326145 DXBSMZQTBZTELF-APWZRJJASA-N 421.566 4.635 0 40 HJAB CCc1ccc2nc3sc(C(=O)Nc4ccc(OC)cc4OC)c(N)c3cc2c1 1342794 NWQPIGBPLYCLLT-UHFFFAOYSA-N 407.495 4.864 0 40 HJAB COc1ccc(-n2c(SC)nc3sc4c(c3c2=O)CCc2ccccc2-4)cc1 2299049 ZHOYIDJZQAAPMF-UHFFFAOYSA-N 406.532 4.943 0 40 HJAB COc1cc2c(cc1OC)[C@H](COc1cc(C)cc(C)c1)N(C(=O)CC(C)C)CC2 3006471 QMJUTYYQTJHORY-QFIPXVFZSA-N 411.542 4.872 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 3008140 GWNWSSGGYUDLJY-UHFFFAOYSA-N 403.866 4.673 0 40 HJAB Cc1nn(-c2ccccc2)c2c1[P@@H](=O)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2 3195237 RPRZUGQJEVHIMN-XUTLUUPISA-N 402.438 4.721 0 40 HJAB COc1ccc(CN(C(=O)COc2c(C)cccc2C)c2ccccc2C(=O)O)cc1 3260193 XUYOVYAFEJUVBX-UHFFFAOYSA-N 419.477 4.622 0 40 HJAB CCOc1ncccc1C(=O)OCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12 3292690 MGPKDMNWTMDGCX-UHFFFAOYSA-N 414.461 4.679 0 40 HJAB Cc1ccccc1-n1c(Sc2ncnc3sccc23)nc2ccccc2c1=O 3338891 JORITANSPWRJEH-UHFFFAOYSA-N 402.504 4.850 0 40 HJAB C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1ccc(Cl)cc1Cl 4251734 HVIDGCHCMKGBBG-NSHDSACASA-N 407.326 4.690 0 40 HJAB O=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1)c1ccco1 4386809 BZEGZXICJMHLHH-UHFFFAOYSA-N 414.292 4.957 0 40 HJAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 4835715 XXWQORRNGAHPCS-SFHVURJKSA-N 414.534 4.904 0 40 HJAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc4ccccc34)=NN12 4994826 PMOUPNXSYKTGIO-XMMPIXPASA-N 411.505 4.722 0 40 HJAB Cc1oc2c(C)c3oc(=O)c(CC(=O)NCCc4ccc(F)cc4)c(C)c3cc2c1C 5235705 MGMDNEIJBIJMAS-UHFFFAOYSA-N 421.468 4.813 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc(C(C)C)cc2)sc2c1CCCC2 5672895 RHILHUWGSDXDBY-UHFFFAOYSA-N 401.528 4.945 0 40 HJAB Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2/SC(=N)NC2=O)c(C)c1 6167709 BBNURGRDTQMYRG-WOJGMQOQSA-N 402.903 4.553 0 40 HJAB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccccc1 6587578 GIPYIHBFJHDVSM-KXNLXUQCSA-N 404.510 4.876 0 40 HJAB CCCOc1ccc(C(=O)N(Cc2ccncc2)c2ccc(C(=O)OCC)cc2)cc1 6629686 MKTUQGCJFJKYRX-UHFFFAOYSA-N 418.493 4.894 0 40 HJAB COc1ccccc1NC(=O)Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S 7276492 BVOVAXOENRBQTR-UHFFFAOYSA-N 416.506 4.718 0 40 HJAB Cc1noc(C)c1CC(=O)Nc1nc(-c2cc(C)n(Cc3ccco3)c2C)cs1 7781035 AYFNYCGZGPLXLP-UHFFFAOYSA-N 410.499 4.656 0 40 HJAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)c1 7882308 LKUPFLPMYZSGRC-INIZCTEOSA-N 415.331 4.674 0 40 HJAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(Br)cc1F 7941430 ZSRCAPKHNSOYAV-UHFFFAOYSA-N 405.311 4.504 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CCOc1ccccc1)CC2 7988309 RXMUZEUCDJOVMP-SANMLTNESA-N 417.505 4.647 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 8965966 ZXFROJWNSCFNSS-LSDHHAIUSA-N 424.595 4.724 0 40 HJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)COc3ccc(F)cc3)ccc1O2 9135411 GXVUTZOGHLWKKY-UHFFFAOYSA-N 406.413 4.534 0 40 HJAB Cc1ccc2c(COC(=O)c3ccccc3OCc3c(C)noc3C)cc(=O)oc2c1 9618288 IFDOBRWQZWZLID-UHFFFAOYSA-N 419.433 4.642 0 40 HJAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2C(F)(F)F)c1 9817494 BXLWPBFXDNQZQV-UHFFFAOYSA-N 406.433 4.634 0 40 HJAB COc1ccccc1[C@H]1C[C@@H](c2ccc(C)cc2)N(C(=O)c2ccccc2)c2ncnn21 10060415 VTYRYLZGKFKOIT-XZOQPEGZSA-N 424.504 4.976 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COc1ccccc1C(C)(C)C 10904581 HKWBWSFCNJATRW-UHFFFAOYSA-N 405.542 4.541 0 40 HJAB O=C(Cn1cc(-c2nnc(-c3ccco3)o2)c2ccccc21)N1CCc2ccccc21 11695959 PYNLZDIVSFLJAT-UHFFFAOYSA-N 410.433 4.541 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 12496336 CXSYOLVTYOLVTN-UHFFFAOYSA-N 418.518 4.508 0 40 HJAB CCn1c(SCc2noc(-c3ccccc3Cl)n2)nnc1-c1ccoc1C 12949346 AJIWUATVOWQTDP-UHFFFAOYSA-N 401.879 4.862 0 40 HJAB COc1ccc([C@H]2Nn3c(nnc3C(C)(C)C)S[C@@H]2C(=O)c2ccc(C)cc2)cc1 13150372 BTMRSCOHDHNIBH-QUCCMNQESA-N 422.554 4.535 0 40 HJAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)cc1C 13583484 NHWHDFYORPSTST-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB Cc1ccc(-n2c3c(c(S[C@H](N)c4cccc5ccccc45)nc2=O)CCC3)cc1 15840435 VRWDWLGSMZOEHY-QHCPKHFHSA-N 413.546 4.932 0 40 HJAB O=C(Nc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1)c1cccs1 16449289 ZLQZKYDDWHUNOX-UHFFFAOYSA-N 415.927 4.781 0 40 HJAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)c1 17091664 CEHNTNVOEQEWDF-UHFFFAOYSA-N 418.824 4.503 0 40 HJAB C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(Cl)c(Cl)c1 17963081 DZNFHEASHKVEBK-GFCCVEGCSA-N 411.354 4.785 0 40 HJAB O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(F)c3F)CC[C@@H]21 19292750 QQHJZGVSILVRTA-ZJOUEHCJSA-N 416.537 4.643 0 40 HJAB CN(Cc1ccc2ncccc2c1)C(=O)CC1CCN(C(=O)CC2CCCCC2)CC1 19748227 LHFRGPMGWWAIOG-UHFFFAOYSA-N 421.585 4.792 0 40 HJAB Cc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20462373 JPIZTWMFDUMQLR-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB O=C(COC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc(Br)cc1 21439224 LOYSULZWSBMBLR-UHFFFAOYSA-N 410.267 4.914 0 40 HJAB Cc1cccc2sc(NC(=O)Cc3cc(O)nc(SCc4ccccc4)n3)nc12 23138034 XVDRWSSTFWXCTP-UHFFFAOYSA-N 422.535 4.574 0 40 HJAB Cc1ccc2nc(COc3ccc(C(=O)N4CC[C@@H]5CCCC[C@@H]5C4)cc3)cn2c1 23233244 ZNKUVEYZUAZQOY-PZJWPPBQSA-N 403.526 4.874 0 40 HJAB CCc1nc(SCC(=O)N[C@@H](C)c2ccco2)nc(N)c1-c1ccc(Cl)cc1 25589099 UVPWKTYUQNOEKT-LBPRGKRZSA-N 416.934 4.504 0 40 HJAB Cc1cc(C)c2oc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)c(C)c2c1 28228408 WKVOJKXBPDQCOR-UHFFFAOYSA-N 414.508 4.624 0 40 HJAB Cc1ccc(S(=O)(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c(Br)c1 30368514 XBZYMWQJWXDDEK-BBRMVZONSA-N 424.360 4.827 0 40 HJAB O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 30938560 YBCRIHYJZRWQAI-CQSZACIVSA-N 409.274 4.578 0 40 HJAB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)CS2)cc1 32598087 IGJQDYJJRLWQSH-NRFANRHFSA-N 401.491 4.629 0 40 HJAB Cc1ccc(-c2csc(-n3c(NC(=O)COc4ccccc4F)cnc3C)n2)cc1 32616144 MZMNIOYAXVLUKI-UHFFFAOYSA-N 422.485 4.769 0 40 HJAB CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)N3CCCC3)no2)cc1 32622805 YZQQEQRJTBQPGK-HSZRJFAPSA-N 419.525 4.616 0 40 HJAB CCN(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc2ccccc2c1 33685800 JONDIUVDEOZLJH-UHFFFAOYSA-N 410.539 4.613 0 40 HJAB Fc1ccc(-c2nn3c(-c4ccc(F)c(Br)c4)nnc3s2)c(F)c1 36365515 FTLGCVXUCALKCF-UHFFFAOYSA-N 411.206 4.700 0 40 HJAB O=C(NCC(F)F)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c12 36618344 WKLGQKFVWGPDCM-UHFFFAOYSA-N 403.385 4.752 0 40 HJAB CC(=O)c1cc2c(cc1NC(=O)Cc1csc(-c3ccccc3Cl)n1)OCO2 36783942 FEESOKBCDGBTSF-UHFFFAOYSA-N 414.870 4.576 0 40 HJAB O=C(Nc1ccncc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 44893220 CZIKRQYZUSSVGF-QFIPXVFZSA-N 403.526 4.905 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cccc(OC)c2)cc1OCC 44900261 DVTCRGIAKZMHBH-UZLBHIALSA-N 401.503 4.527 0 40 HJAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccccc1OC[C@H]1CCCO1 48234615 JQAXQXYWJQHUMF-QAPCUYQASA-N 403.931 4.865 0 40 HJAB Cc1ccccc1CN1CCC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 57775224 WJPKVEDRSGHVDO-AREMUKBSSA-N 417.553 4.563 0 40 HJAB CC(C)[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1nc(-c2cccnc2)no1 69560509 XNTUOZGBPZOZSR-OAHLLOKOSA-N 405.380 4.669 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359638 BYPXDBALDPKGAP-GOSISDBHSA-N 409.892 4.885 0 40 HJAB COC(=O)c1ccc2oc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc2c1 96191888 GXSDMIJALMZVQT-UHFFFAOYSA-N 411.266 4.652 0 40 HJAB O=C(O)c1c2c(nc3ccccc13)[C@@H]1Cc3c(nc4ccccc4c3C(=O)O)[C@@H](C2)C1 101024579 RNCYOTIGFIMBBD-BETUJISGSA-N 410.429 4.549 0 40 HJAB C[C@H]1CCCN([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 102894519 RMHJLCAYZVGRSG-SWLSCSKDSA-N 400.529 4.639 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=S)N[C@@H]1C[C@H]3CC[C@H]1C3)CC2 104746410 GPEXRCSPJVLGIB-VPSWZUQSSA-N 422.594 4.714 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C)cc1 223058454 JZSISVGVDNMWMR-RTBURBONSA-N 414.977 4.913 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSc1ccc(C)cc1 223086721 IJSDFYPRQAXZAB-ROUUACIJSA-N 416.562 4.558 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 223099921 IZDJJZXYLQNKOJ-UHFFFAOYSA-N 417.690 4.534 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccccc1Cl 224135905 ZDVWZNZSAIXUOK-UHFFFAOYSA-N 411.841 4.909 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 224518676 DJJPWKRJDXHFBX-QFIPXVFZSA-N 412.599 4.748 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C(C)C 224599685 IOLMIEAIRWXGDM-FGZHOGPDSA-N 406.555 4.964 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 225072683 BOKHXBDAYZZPEM-QFIPXVFZSA-N 412.599 4.562 0 40 HJAB S=C(Nc1nc(Cl)cc(N2CCc3ccccc3C2)n1)NC1CCCCCC1 226011385 UIGZXLINZBSOAG-UHFFFAOYSA-N 415.994 4.702 0 40 HJAB COCCOCC(=O)Oc1cc(Cl)ccc1Cc1ccc(Cl)cc1Cl 247904123 WTODJUMYDPBHEQ-UHFFFAOYSA-N 403.689 4.806 0 40 HJAB O=C(CCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 257199332 ZXJAOWMVDHPZJN-OFPDSVIMSA-N 403.570 4.522 0 40 HJAB COc1ccc(OCC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)cc1 257236627 HDAHQNAAGQQSFD-JOCHJYFZSA-N 424.472 4.546 0 40 HJAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H](C)c3ccccc3)CC2)on1 257267500 MHOGDKBKGRCYRF-BJLQDIEVSA-N 406.530 4.577 0 40 HJAB CCc1s/c(=N\C(=O)c2ccco2)n(CC)c1-c1ccc(Br)cc1 408561330 HWOBFFCVOQWMMX-ZZEZOPTASA-N 405.317 4.896 0 40 HJAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O 408641593 KOMXSURBOVFWBX-CYBMUJFWSA-N 421.722 4.657 0 40 HJAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)C(=O)[C@H]2C1 408689960 ZXXURGJNYFAPFU-MOPGFXCFSA-N 408.885 4.746 0 40 HJAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc(C)c1Cl 408705251 AMORHSASDWEPKR-OAHLLOKOSA-N 402.922 4.891 0 40 HJAB O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1cccnc1C1CC1 541295183 USIDHWDJRQIVJW-NRFANRHFSA-N 403.551 4.550 0 40 HJAB C[C@@H]1c2ccccc2CN1C(=O)[C@H]1CC[C@H](C(=O)N2Cc3ccccc3[C@H]2C)CC1 542171992 OYZRLQHNDAZSKN-UAFMIMERSA-N 402.538 5.000 0 40 HJAB Cn1cc(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)nc1O 1529575939 WXIAEYCZIBSERT-UHFFFAOYSA-N 412.808 4.511 0 40 HJAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3CC[C@H](c4cccc(F)c4)C3)C2)c1 1543873323 ZCLKWMGTEYJUOY-AWRGLXIESA-N 422.544 4.747 0 40 HJAB Cc1ccc(OC(=O)c2cccc(Br)c2)c(-n2nc3ccccc3n2)c1 991240 RMLGFKFYPVYYEO-UHFFFAOYSA-N 408.255 4.711 0 40 HJAB CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 1448016 HMBWYYWSDSVQSA-GFCCVEGCSA-N 406.356 4.809 0 40 HJAB biogenic Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)N1CCCC1 2633949 STSDWXATABIGQW-UHFFFAOYSA-N 408.885 4.643 0 40 HJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NC[C@H]1CCCO1 3349149 GPKCJNWUCGMMFS-QYFOZDBKSA-N 407.901 4.501 0 40 HJAB Cc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)nn12 4555440 SXHNGGKPWNRWBC-FMIVXFBMSA-N 403.511 4.937 0 40 HJAB CCc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 6451188 UYSBUPZFPJRZLW-QHCPKHFHSA-N 406.507 4.869 0 40 HJAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2ccccc2n1 6606509 LGHZYCFQJRWRDH-IBGZPJMESA-N 416.308 4.935 0 40 HJAB COc1ccc2cc(/C=C/C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)ccc2c1 6987538 YQLXTGYVXXUFNF-YRNVUSSQSA-N 420.553 4.503 0 40 HJAB O=C(O)/C(=C/c1cc(Cl)ccc1O)Sc1nnc(-c2ccc(Cl)cc2)o1 7603179 VZQHZWYZJMWCDZ-ZSOIEALJSA-N 409.250 4.967 0 40 HJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1ccccc1CN1CCCC1 8075787 SBOVKWFQVTXDSB-UHFFFAOYSA-N 409.530 4.783 0 40 HJAB COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccc(F)cc1 8958820 CBCHSGJXUXEAQN-JAIQZWGSSA-N 421.399 4.897 0 40 HJAB CCOc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1 9135366 PNOLOOVNQKURKO-UHFFFAOYSA-N 416.477 4.957 0 40 HJAB Fc1cccc(Nc2nc(NCc3ccco3)nc3c2cnn3-c2ccccc2)c1 9622804 PTGFFMBQQLNJRW-UHFFFAOYSA-N 400.417 4.903 0 40 HJAB Cc1csc(N(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)c2ccccc2)n1 10441397 MKOBIKZVLQDIGM-UHFFFAOYSA-N 400.887 4.784 0 40 HJAB COC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1 12249750 CCDVHIFSYJXSPR-UHFFFAOYSA-N 403.463 4.584 0 40 HJAB CCOc1cccc2s/c(=N/C(=O)c3ccc(Br)s3)n(CC)c12 12378118 WMEICHMVELTMRE-FBMGVBCBSA-N 411.346 4.687 0 40 HJAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1C(=O)N1CCCCC1 12908234 FBUWIGUTEBEVKF-UHFFFAOYSA-N 409.511 4.519 0 40 HJAB Cc1c(C(=O)OCc2nc3cc(Cl)ccc3c(=O)[nH]2)oc2c(Cl)cccc12 12985894 DDCQLMHARLHHGE-UHFFFAOYSA-N 403.221 4.642 0 40 HJAB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2C[C@@H]2CCCO2)cc1 13013743 OJFNMYQBRXBWEC-RDPSFJRHSA-N 419.550 4.601 0 40 HJAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CN3CCC[C@@H]3c3cccs3)C2=O)cc1 13102739 LNFWCHZNNUOIQJ-WZONZLPQSA-N 411.571 4.607 0 40 HJAB O=C1C[C@@H](c2ccco2)Cc2nc3nc(SCc4cccc(Cl)c4)nn3cc21 13634311 SORPYLXGURZHCU-ZDUSSCGKSA-N 410.886 4.576 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 14111769 QGTONGZLJZTYOK-OAQYLSRUSA-N 422.912 4.637 0 40 HJAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1Cl 15415331 MJZSNBTXNNOIRG-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CCCSc1ncc(Cl)c(C(=O)Nc2sc(C)c(C)c2C(=O)OCC)n1 16742465 UXGXUQYBWWDXJU-UHFFFAOYSA-N 413.952 4.739 0 40 HJAB Cc1ccc(OCc2nc3ccccc3n2C[C@H](O)COc2ccc(C)cc2C)cc1 16903148 XQRXBODTTCVCJZ-NRFANRHFSA-N 416.521 4.980 0 40 HJAB Cc1ncc(-c2ccncc2C)c([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 19239711 XUVKTEWCCSYGFI-QFIPXVFZSA-N 404.489 4.591 0 40 HJAB COc1ccc(CN2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)cc1 19554976 QLCGPQOOOVIBTM-HSZRJFAPSA-N 421.566 4.535 0 40 HJAB COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 19555110 PAWMKIITWCDBRX-WMZHIEFXSA-N 421.566 4.535 0 40 HJAB Cc1noc2nc([C@@H]3CCCN(C(=O)c4cc(C(C)C)no4)C3)cc(C(F)F)c12 19564083 OKANNTLUHOOQQN-GFCCVEGCSA-N 404.417 4.600 0 40 HJAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CC=CCC2)C1 19579785 AXQXHRWIKKCLFU-BWKNWUBXSA-N 422.594 4.621 0 40 HJAB CCCc1nc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2s1 22255101 HTEYHEWGCYQYPV-UHFFFAOYSA-N 411.346 4.812 0 40 HJAB O=C(Nc1cccc2c1CCCC2)c1ccc(NS(=O)(=O)c2ccccc2)cc1 22834095 MUHMYCPIIJZGTK-UHFFFAOYSA-N 406.507 4.619 0 40 HJAB CCCn1c(SCC(=O)Nc2nc(C)cs2)nc2ccc(C(F)(F)F)cc21 24196236 OUAWUCFAWCYJIC-UHFFFAOYSA-N 414.478 4.961 0 40 HJAB CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCCC2)cc1 28289557 GFEYOBUACUSJDH-OAQYLSRUSA-N 418.537 4.657 0 40 HJAB Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c1 30853460 YKSFTEPIMIZXMS-UHFFFAOYSA-N 422.550 4.902 0 40 HJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)COc1ccc2ccc(=O)oc2c1 31335163 YGQKRNACUZKGHC-GFCCVEGCSA-N 406.265 4.698 0 40 HJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1cccc(Br)c1)CC(O)=N2 32100410 QBUZTXRDGXVNMC-GFCCVEGCSA-N 418.682 4.510 0 40 HJAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1cc(Br)ccc1Cl 32930802 OSDYUZONCBFQFL-UHFFFAOYSA-N 404.651 4.937 0 40 HJAB CC[C@H]1CCc2sc(C(=O)NC[C@@H](c3ccccc3OC)N3CCCC3)cc2C1 32983096 XAJKVMZMGJANRU-PXNSSMCTSA-N 412.599 4.839 0 40 HJAB Cc1cccc(C(=O)NCc2nnc(SCc3ccc(Cl)cc3Cl)n2C)c1 33600436 DLZRRKFIFKAMSA-UHFFFAOYSA-N 421.353 4.653 0 40 HJAB Cc1ccccc1CSCCNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38852955 GGMUDCCADSRRHY-HXUWFJFHSA-N 417.018 4.910 0 40 HJAB CC(C)[C@H](SC1=Nc2ccccc2CS1)C(=O)N1CC(=O)Nc2ccccc21 43030757 BCAKNJMMZUQSSN-IBGZPJMESA-N 411.552 4.664 0 40 HJAB Cc1cc(CSc2ccccc2C(=O)NCCc2c[nH]c3cc(F)ccc23)on1 50766473 PQYCCVSMYXBJEA-UHFFFAOYSA-N 409.486 4.868 0 40 HJAB Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)N1CCN(c2ccccc2F)CC1 54105762 BQXJUUKVIURCHV-VWLOTQADSA-N 400.501 4.922 0 40 HJAB O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccccc1F 57251194 BHLKHSMKPIJLPU-UHFFFAOYSA-N 407.464 4.539 0 40 HJAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCC3(c4ccccc4)CC3)c12 58102562 HJMGBXBCWOQVRN-UHFFFAOYSA-N 402.542 4.834 0 40 HJAB COc1ccc(-c2nc(C(=O)N3CCC(c4ccc(O)cc4)CC3)cs2)cc1OC 65622782 PNVXDVFPOKTCEA-UHFFFAOYSA-N 424.522 4.553 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2cc(C)[nH]c2c1=O 67238581 JSZRWGRMDKJQTK-UHFFFAOYSA-N 412.559 4.687 0 40 HJAB CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C(C)(C)C)CC1 72345188 XIPBVHMXDFPZBY-UHFFFAOYSA-N 406.570 4.687 0 40 HJAB Cn1cccc1-c1csc(NC(=O)C2(c3cccc(Br)c3)CC2)n1 84321875 VRHMYNGONOMZML-UHFFFAOYSA-N 402.317 4.581 0 40 HJAB C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)o1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102420604 OIWJNXFQILPYHM-GHYKFQNRSA-N 410.543 4.639 0 40 HJAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)cc1 224389557 NYEOLIUQUUXZMT-VXKWHMMOSA-N 415.497 4.584 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 225164384 VBYBAGAPWVADOK-QFIPXVFZSA-N 412.599 4.562 0 40 HJAB CSc1ccc([C@@H](CC(=O)O)NC(=S)Nc2ccc3sncc3c2)cc1 225214924 OJMLZRPUSIMYMU-OAHLLOKOSA-N 403.554 4.521 0 40 HJAB CCOC(=O)c1cc(NC(=S)NCCCc2ccc(OCC)cc2)ccc1Cl 225622950 BOPONELOCONPCQ-UHFFFAOYSA-N 420.962 4.835 0 40 HJAB CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@H]2C[C@H]2C)CC1 257252373 JUPDJHYLXADPKM-NQIIRXRSSA-N 424.610 4.749 0 40 HJAB COc1ccc(F)cc1-c1cccc(CC2(C(=O)NC3CCCC3)CCOCC2)c1 257315215 VAKMXNXIWWMKHY-UHFFFAOYSA-N 411.517 4.899 0 40 HJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 408563800 QLZQZXWVNNQKJS-MOTZXUDYSA-N 400.975 4.678 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C(=O)NCC(C)C 408582921 FYMDXNPDLVOGJI-UHFFFAOYSA-N 402.560 4.613 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C)n1-c1ccc(Cl)cc1 409088377 LICDLWWCSIKQJL-UHFFFAOYSA-N 407.326 4.922 0 40 HJAB CCCn1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nnc1-c1ccc(Cl)cc1 409107098 UUHMJHBQMDTRLU-GASCZTMLSA-N 406.983 4.890 0 40 HJAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@@H](c1ccsc1)n1cccc1)CC3 524731693 HOTCFGVPCBIQBZ-QFIPXVFZSA-N 405.523 4.604 0 40 HJAB biogenic CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 704051 QOGAWZROYPZJBW-NRFANRHFSA-N 416.433 4.546 0 40 HJAB CCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1cccc(F)c1 710671 JSQQPMXTJFYYPM-UHFFFAOYSA-N 423.484 4.940 0 40 HJAB CC(C)NC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 845334 ZSODOOIIVFQTLG-UHFFFAOYSA-N 417.218 4.860 0 40 HJAB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccc(Cl)cc1Cl 1255865 IPQMLACMHFBTLG-UHFFFAOYSA-N 400.287 4.869 0 40 HJAB C[C@@]1(c2ccc3noc(-c4ccc(F)cc4)c3c2)NC(=O)N(c2ccccc2F)N1 1401678 NTCAYMOFZYSJNO-JOCHJYFZSA-N 406.392 4.680 0 40 HJAB CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc12 2497154 PJAYNXCJNINQGJ-UHFFFAOYSA-N 401.484 4.644 0 40 HJAB CC(C)CC(=O)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl 3176753 NJSOEEVRQVVWAC-LBPRGKRZSA-N 402.547 4.720 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl 3220107 ZFGGDNULBFDRSI-UHFFFAOYSA-N 408.068 4.799 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(CCc1ccccc1)C(=O)c1ccco1 4240752 INYAEQQDWQIVJW-XMMPIXPASA-N 416.521 4.765 0 40 HJAB O=C(O)c1ccc2nc(-c3cc4ccc(OCc5ccccc5)cc4oc3=O)[nH]c2c1 4370965 QUIJELDUGVMQOC-UHFFFAOYSA-N 412.401 4.614 0 40 HJAB O=C(Nc1ccc([C@H]2CC2(Br)Br)cc1)c1cccs1 4699541 BZJVIHOKXDAHDR-LLVKDONJSA-N 401.123 4.974 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 5020706 ALLDKEYQIQYRDA-HXNCVPNASA-N 401.503 4.761 0 40 HJAB Cc1ccc(-c2csc(N3N=C4c5ccccc5C[C@@H]4[C@]3(O)C(F)(F)F)n2)cc1 5275030 XVRQJTVUQZTZMR-JXFKEZNVSA-N 415.440 4.766 0 40 HJAB CC(C)[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCCO2 5407902 XHWBTKWQHDGJAQ-OAQYLSRUSA-N 407.432 4.923 0 40 HJAB C[C@H](Sc1nc(-c2ccncc2)n[nH]1)C(=O)Nc1ccc(Oc2ccccc2)cc1 5530857 YHSMCWISNCYMPO-HNNXBMFYSA-N 417.494 4.778 0 40 HJAB COc1ccc(Nc2nnc(SCC(=O)Nc3ccc4c(c3)CCC4)s2)cc1 6058284 VBQSFALPLYZYIS-UHFFFAOYSA-N 412.540 4.510 0 40 HJAB O=C(NCc1ccc(Cl)cc1)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 6078902 TZBAKVCWTZOUTK-UHFFFAOYSA-N 413.304 4.853 0 40 HJAB C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 6177913 NSIGMDIEDAHRHR-QGZVFWFLSA-N 415.449 4.722 0 40 HJAB COc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1 6790311 QHPXWDGZZSWISL-UHFFFAOYSA-N 416.433 4.607 0 40 HJAB O=C(c1ccccc1Cl)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 7388398 LHEYSMLVHHMZJD-UHFFFAOYSA-N 407.194 4.512 0 40 HJAB O=C(CSc1nnc(C2CC2)n1C1CC1)N[C@@H](c1ccccc1)c1cccs1 7551410 QAGKVYVKMBRRMK-IBGZPJMESA-N 410.568 4.550 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@@H]3CCOc4ccccc43)cc12 7964722 VWJMUBGQMAGHCB-GOSISDBHSA-N 407.470 4.788 0 40 HJAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(-n2cnc3ccccc32)cc1 8161714 VADPPONADSTBLU-UHFFFAOYSA-N 416.569 4.944 0 40 HJAB COc1ccc2nc(SCC(=O)N[C@@H](c3ccccc3)c3cccs3)[nH]c2c1 8216149 AMENCNKXAGNWSL-FQEVSTJZSA-N 409.536 4.631 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 8339655 OGSJORLNXKARBW-NRFANRHFSA-N 423.488 4.961 0 40 HJAB Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)ccc1Cl 8915776 AFJUEGOUQCNBGA-LJQANCHMSA-N 408.325 4.888 0 40 HJAB O=c1/c(=C\c2ccc(-c3ccccc3)cc2)sc2nnc(-c3ccc(Cl)cc3)n12 9189125 RLSKSHNJMVMOAB-XSFVSMFZSA-N 415.905 4.686 0 40 HJAB CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1Br 9307209 QLQZMQQXJLJOJE-UHFFFAOYSA-N 413.315 4.651 0 40 HJAB Cc1[nH]c2ccc(C(=O)OCC(=O)c3cc(C)n(-c4nccs4)c3C)cc2c1C 9552254 HOHUSPLCVVCFDM-UHFFFAOYSA-N 407.495 4.688 0 40 HJAB O=C(/C=C/c1cnn(Cc2ccccc2)c1)N1CCC[C@@H]1c1nc2ccccc2s1 9861928 BFVNGYNCGGVVJJ-JNCYCUAHSA-N 414.534 4.918 0 40 HJAB c1ccc(Cn2c(SC[C@@H]3COc4ccccc4O3)nnc2-c2ccco2)cc1 9990508 AYQRLVKSZFLNCO-KRWDZBQOSA-N 405.479 4.519 0 40 HJAB Cc1ccc(-c2ccccc2CC2(C(=O)NCC3CCOCC3)CCOCC2)c(C)c1 12231655 CZDYMJSBYLHWPB-UHFFFAOYSA-N 421.581 4.853 0 40 HJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(OC)c(Cl)c1)O[C@H](C)C2 12555669 PQJFIFLOMCMIHW-CHWSQXEVSA-N 404.894 4.510 0 40 HJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(Br)cc1 12600864 GNKPYOJGVNRVQX-JLSDUUJJSA-N 411.336 4.539 0 40 HJAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc(NC(=O)c2cccs2)c1 12624042 VHTMDXYONIKJFH-UHFFFAOYSA-N 404.413 4.949 0 40 HJAB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)NCc3ccco3)s2)cc1Cl 12777091 GMFYPBCGLVJACA-NSHDSACASA-N 408.936 4.634 0 40 HJAB O=C(CCc1ncc(-c2ccccc2)o1)NC[C@@H](c1ccccc1Cl)N1CCCC1 12803994 SKRKVXRSODDMQO-NRFANRHFSA-N 423.944 4.881 0 40 HJAB CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(OCCC(C)C)c(OC)c2)cc1 13000244 UJXBPXYMTVHYCX-MDWZMJQESA-N 411.498 4.949 0 40 HJAB Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1 13212976 RFOPSMHGICGNHZ-FCHUYYIVSA-N 413.868 4.539 0 40 HJAB CSc1nc(NN)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CC(C)(C)OC4 13514338 BCBOREICZFKWAS-UHFFFAOYSA-N 423.567 4.765 0 40 HJAB O=c1/c(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2nc3ccccc3n12 13603228 WEYNSXOASCSANG-WQRHYEAKSA-N 412.392 4.736 0 40 HJAB COc1cccc(-c2nc(CC(=O)N[C@H](C)Cc3c[nH]c4ccccc34)cs2)c1 13684535 DHQPYWQRURLPHA-OAHLLOKOSA-N 405.523 4.590 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1cccc(Cl)c1 13803960 DFFMIJJSTIKFPO-UHFFFAOYSA-N 424.913 4.971 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1 17093886 LVFNNNUKQAIQBC-UHFFFAOYSA-N 424.460 4.843 0 40 HJAB CCOC(=O)c1csc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)n1 17306863 KBXPQXZJLWSMKM-UHFFFAOYSA-N 415.521 4.910 0 40 HJAB Cc1ccc(CN2CCC(O)(Cn3cccc4cc(C(F)(F)F)nc3-4)CC2)cc1C 19213941 NMYSVCJNCOGOGZ-UHFFFAOYSA-N 417.475 4.651 0 40 HJAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 19219230 BNUYXGDPPAFICD-XZOQPEGZSA-N 409.570 4.677 0 40 HJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccccc1OC)CO3 20412324 RSGQJQPHNFPFBP-UHFFFAOYSA-N 407.510 4.847 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 21994060 IQSMKEKVUNJVKC-UHFFFAOYSA-N 422.868 4.696 0 40 HJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 22526424 ONIROWWYVKJGCC-JOCHJYFZSA-N 406.457 4.552 0 40 HJAB COc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc(C)c(C)c2)n2ccccc12 22760415 ZZYUUSGIRQVIOG-UHFFFAOYSA-N 413.477 4.630 0 40 HJAB CN(Cc1nc2ccccc2s1)Cn1nc(-c2ccccc2Cl)n(C)c1=S 23851246 SGAQPVHWMLLWMN-UHFFFAOYSA-N 415.975 4.971 0 40 HJAB CCOc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=NCCCS2)cc1 28527485 LOOOVXTYTMSOEE-UHFFFAOYSA-N 420.481 4.869 0 40 HJAB CC1=C[C@@H](CN(C)CCN(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 30882849 NLJGHDRVMGNAPD-VABKMULXSA-N 410.606 4.627 0 40 HJAB biogenic,in-vitro COC(=O)c1ccc(OCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)cc1 31677861 QKGFKHROVRSNCB-UHFFFAOYSA-N 410.495 4.810 0 40 HJAB O=C(CSc1ccc(Cl)cc1)Nc1nc2ccc(N3CCOCC3)cc2s1 32126807 OCKYNHATNVVCND-UHFFFAOYSA-N 419.959 4.517 0 40 HJAB O=C1CCCN1Cc1ccccc1CNC(=O)C1(c2cccc(Cl)c2)CCCC1 32167062 FTHCCERKFPYLHD-UHFFFAOYSA-N 410.945 4.591 0 40 HJAB C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)N1CCC(Cc2ccccc2)CC1 32774509 IMFJXWBPBGGNDH-GOSISDBHSA-N 421.566 4.622 0 40 HJAB CO[C@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O 33639627 OKJHGOPITGTTIM-XMMPIXPASA-N 422.477 4.969 0 40 HJAB C[C@H](NC(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(Cl)cc1Cl 40104071 KWKHMMLKGOERDE-AWEZNQCLSA-N 407.345 4.628 0 40 HJAB CC(C)(C)OC(=O)N1CCC(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)CC1 41999901 FUOCPGHSMZKNFY-UHFFFAOYSA-N 410.917 4.617 0 40 HJAB CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(C)cc2)C1 44803776 HVECKPSIDYYUHL-GOSISDBHSA-N 404.514 4.582 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)c2cc3cc(OC)cc(OC)c3[nH]2)cc1 48299032 MQUIJYBGAGIXDX-OAQYLSRUSA-N 408.498 4.951 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H](c1ccccn1)N1CCN(c2ccccc2F)CC1 54114371 CCVNWUIPFMAOTJ-RUZDIDTESA-N 400.501 4.922 0 40 HJAB Cc1ccc(-c2cc3c(SCC(=O)N(C)C4CCCCC4)nccn3n2)cc1C 67289841 XCVACNQOLBNOOL-UHFFFAOYSA-N 408.571 4.896 0 40 HJAB Cc1ccc2c(CNc3cccc(C(=O)N4CCSCC4)c3C)cc(=O)oc2c1C 72054569 KOMLMJMQDJPYRW-UHFFFAOYSA-N 422.550 4.519 0 40 HJAB CC1CCN(CC(=O)N2CCC[C@H](c3[nH]c4ccccc4c3-c3ccncc3)C2)CC1 72396384 CMXMGZAFDBZNJY-NRFANRHFSA-N 416.569 4.668 0 40 HJAB CCCN(C)c1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)N(CC)CC)cc2)cc1 84750263 AAJXOXBMWRLEOZ-SFHVURJKSA-N 410.562 4.898 0 40 HJAB COc1cc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2cccnc2)ccc1OC1CCCC1 100148635 NGHSONWJJVQOSQ-VXKWHMMOSA-N 422.569 4.531 0 40 HJAB C[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)[C@H]1C[C@@H]2CC[C@@H]1C2 101694211 HZWNNSKPSQWJKP-DODZYUBVSA-N 418.493 4.593 0 40 HJAB Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1C 106732366 CPRSLZJVCAPPRE-SXGWCWSVSA-N 405.317 4.641 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)cc1 136688487 LRLAXBPALOQETA-HVETUWLQSA-N 416.521 4.765 0 40 HJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3Cl)C2=O)c1 210807777 PACJJSJIPCDDTI-OQLLNIDSSA-N 421.305 4.977 0 40 HJAB O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(N2CCCC2=O)cc1 219198865 HFRAOKMREMGPKB-UHFFFAOYSA-N 423.365 4.783 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C 222710886 APCORYHLSFYKOO-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222896264 DYEQKZXQDVDBAF-SFHVURJKSA-N 412.549 4.653 0 40 HJAB O=C(COc1ccc(Br)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 222956389 SXZBOZXPNCUYAB-UHFFFAOYSA-N 424.707 4.639 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C 223693599 UCUHNLOVAHJTKS-DEOSSOPVSA-N 408.586 4.878 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCc4ccccc43)c2)c1 223949648 QSLBYXPXIBRDSQ-HSZRJFAPSA-N 420.534 4.603 0 40 HJAB O=C(Nc1cccc(F)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223975086 VOYLTDGPHLKXMF-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB CC(C)c1ccc(OCC(=O)NCCc2ccc(Cl)cc2)c(Br)c1 224249135 HNNKYJSRANYLML-UHFFFAOYSA-N 410.739 4.964 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 224618060 QEAJFVSBXYSVOF-XMMPIXPASA-N 424.585 4.734 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 224999708 BWMDLKCYEUERRE-VQTJNVASSA-N 424.585 4.695 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 225575145 YBIUSEJAJIKAHO-XUZZJYLKSA-N 408.586 4.876 0 40 HJAB CNc1nc(-c2ccc(OC)c(NC(=O)c3ccccc3Br)c2)cs1 226093513 DKVKFZSGMQWZBG-UHFFFAOYSA-N 418.316 4.875 0 40 HJAB Cc1cc(N)cc(Br)c1NC(=O)/C=C/c1ccc(Br)cc1 226763435 BLBMVZOAFZUXSO-QPJJXVBHSA-N 410.109 4.754 0 40 HJAB CC(=O)Nc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CC(C)C)cc1 257287840 PRSJHPYUWPVWBK-GNCQFOQZSA-N 412.574 4.690 0 40 HJAB Cc1csc(Nc2cccc([C@@H]3CN(Cc4ccnc5ccccc45)CCO3)n2)n1 257323733 WLQBWVFTGVEJIA-NRFANRHFSA-N 417.538 4.712 0 40 HJAB O=C(NCc1ccc(Cl)cc1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408676365 NIXQLFWTYTWOIH-UHFFFAOYSA-N 406.844 4.898 0 40 HJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OC)c(Br)c3)S2)cc1 408771263 DZDYEZLDOPAKKC-XGHXRCDJSA-N 419.344 4.620 0 40 HJAB O=C(c1ccc(Oc2ccc(C(=O)N3C[C@H]4CC[C@H]3C4)cc2)cc1)N1C[C@H]2CC[C@H]1C2 516528452 DRQIUMDIBGWCPC-GPHNJDIKSA-N 416.521 4.728 0 40 HJAB Nc1ccc(I)cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250469 QXUWHPPCZLTUCV-UHFFFAOYSA-N 415.099 4.963 0 40 HJAB COc1ccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCN(Cc4ccco4)C[C@H]23)cc1 1848354091 XCFMEMAEAHWFEJ-TWJOJJKGSA-N 402.538 4.778 0 40 HJAB Cn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1 687672 RENYLCNCLXBELJ-UHFFFAOYSA-N 418.975 4.633 0 40 HJAB COc1ccc2cc(CN(Cc3ccco3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 883246 WVENTLHFOHMZOW-UHFFFAOYSA-N 419.506 4.529 0 40 HJAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(C)c2OC)c1 1264680 FPFVSECQXADPMZ-UHFFFAOYSA-N 419.934 4.522 0 40 HJAB Cc1nc2cc(-c3cccs3)nn2c(N2CCN(c3ccccc3F)CC2)c1C 1332153 QWWJZTGLZCEEQL-UHFFFAOYSA-N 407.518 4.540 0 40 HJAB CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1ccc(Cl)c(Cl)c1 2256674 NRKHMAOSNFNSHG-ZFWWWQNUSA-N 413.326 4.595 0 40 HJAB NC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2747192 NBHNOJZCKBZBJF-UHFFFAOYSA-N 401.853 4.906 0 40 HJAB Cc1ccc(-c2csc(NC(=O)COC(=O)CCc3c[nH]c4ccccc34)n2)cc1 4286459 PMUNUADSILHRJN-UHFFFAOYSA-N 419.506 4.714 0 40 HJAB O=c1c2c(nc(SCc3cccc(Cl)c3)n1Cc1ccccc1)CCS2 4358771 XSNXZACKCNZEJG-UHFFFAOYSA-N 400.956 4.886 0 40 HJAB Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)c3ccc(Cl)cc3)c3ccccc32)c1 4556262 DVAVSTKOQBFJSY-RUZDIDTESA-N 419.908 4.964 0 40 HJAB CCCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 4681913 KYONNAXVMZWCSL-UHFFFAOYSA-N 414.962 4.858 0 40 HJAB O=C(CSc1nnc(-c2ccco2)o1)NCCC(c1ccccc1)c1ccccc1 4828268 RJHVJLAZHDRHDU-UHFFFAOYSA-N 419.506 4.760 0 40 HJAB CCc1cccc(C)c1NC(=O)[C@@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O 5183266 UUZYJFUDWSFFTR-OAHLLOKOSA-N 418.522 4.591 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)c(C)n1C 5994765 SFMQKTVSWNOSHI-UHFFFAOYSA-N 408.552 4.926 0 40 HJAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CC1=O 6406702 WWYNRUFYZLSQOO-HXUWFJFHSA-N 400.478 4.744 0 40 HJAB O=C(OCC(=O)c1ccc2c(c1)OCO2)/C(=C/c1ccc(F)cc1)c1cccs1 7779593 GXUWJWPDVLUPRQ-LICLKQGHSA-N 410.422 4.583 0 40 HJAB CCOc1ccc(N2C[C@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)cc1 7929213 VQFVYVGYQJSEIT-LJQANCHMSA-N 401.462 4.711 0 40 HJAB COc1ccc(-c2nnc(SCCCC(=O)c3ccc(F)cc3)o2)cc1OC 7979878 YSEVSHLHCMQTLY-UHFFFAOYSA-N 402.447 4.648 0 40 HJAB COc1cccc(CN(C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)c1 8188070 MJNUYNBAJBHWDK-AOYPEHQESA-N 405.538 4.603 0 40 HJAB CCOc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1ccc(C(=O)O)cc1 8446606 JLNOSFSYYLWALB-DTQAZKPQSA-N 412.445 4.653 0 40 HJAB CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21 8840987 FAFANDFBJIPDMO-UHFFFAOYSA-N 420.962 4.607 0 40 HJAB Cc1c(C)n(Cc2ccco2)c2ncn3nc(COc4ccc(Cl)cc4)nc3c12 9134926 PGZRAKIOZJJPII-UHFFFAOYSA-N 407.861 4.570 0 40 HJAB O=C(/C=C/c1cccc(F)c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 9451067 WUCDJICMWSMGRS-JXMROGBWSA-N 406.423 4.592 0 40 HJAB C[C@@H]1Oc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)cc2NC1=O 9592875 ARUMWNKVNOWQSI-INIZCTEOSA-N 424.460 4.511 0 40 HJAB C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCC(C(=O)N5CCCCCC5)CC4)cc3c2C1 9930477 DYRRNHLHWUKBEL-GOSISDBHSA-N 421.585 4.548 0 40 HJAB COc1ccc(OCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 10692424 OFMDGDNFSFVBTC-QFIPXVFZSA-N 400.478 4.504 0 40 HJAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc2c(s1)-c1ccccc1CC2 10900226 GSXNBLRMEFOGHJ-UHFFFAOYSA-N 418.562 4.623 0 40 HJAB CCCCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1C(C)C 11565912 SQVGMWIVSIBODD-UHFFFAOYSA-N 405.516 4.878 0 40 HJAB O=C(NC[C@@H]1CCCO1)C1(Cc2ccccc2-c2coc3ccccc23)CCOCC1 12234935 HUSVQMCSJPHRSO-FQEVSTJZSA-N 419.521 4.734 0 40 HJAB CC(C)Cn1c(SCc2cccnc2)nc2ccc(Br)cc2c1=O 12539599 LICJEMHSCIQJHV-UHFFFAOYSA-N 404.333 4.502 0 40 HJAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 12616548 ONPRNLUSVBEBBB-UHFFFAOYSA-N 409.902 4.913 0 40 HJAB O=C1CCCN1CCCn1c(-c2cccs2)cs/c1=N\c1ccccc1F 12658310 RZOAQGVGLYJGAP-XDOYNYLZSA-N 401.532 4.662 0 40 HJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(OC)c4)cc3n2)cc1 12855324 NSDVRDKHFMEVBK-UHFFFAOYSA-N 416.481 4.561 0 40 HJAB Cc1ccc(-c2nc(CC(=O)NC[C@H](c3ccco3)N3CCCCC3)cs2)cc1 12903458 QNUSIDDVKWUGHO-HXUWFJFHSA-N 409.555 4.597 0 40 HJAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 12944048 GAAIGAQGCWZSDT-UHFFFAOYSA-N 415.537 4.603 0 40 HJAB CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)c1ccc(Cl)cc1)S2 13137852 MROHHNQPQZDDKZ-FUHWJXTLSA-N 419.337 4.789 0 40 HJAB CSc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 13680889 GJPWGXYQLQZGEJ-UHFFFAOYSA-N 418.565 4.547 0 40 HJAB COc1ccc([C@@H](NCCS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 14095690 VSSJFHVNFXZJMU-QFIPXVFZSA-N 415.942 4.502 0 40 HJAB CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(Br)c1 15223078 VMMLJPJDCLJVCW-SFHVURJKSA-N 419.319 4.729 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 17064450 UZYQJKFOMHQWLA-LLVKDONJSA-N 402.210 4.552 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccs3)cc2)c1 17088311 GIGYMSRXALPVFT-UHFFFAOYSA-N 409.536 4.744 0 40 HJAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccccc2)C1 19529033 QWLITWQMQYYPAJ-VWLOTQADSA-N 418.562 4.626 0 40 HJAB Cc1nc([C@H]2CCCN2C2CCCC2)nc2c1CCC(=O)N2CCCc1ccccc1 19695979 DVBCTQCXUJULHE-HSZRJFAPSA-N 418.585 4.777 0 40 HJAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)C3CCCC3)cc(C(F)(F)F)c12 19742411 OXPQPCRGIGPNRA-OAHLLOKOSA-N 409.456 4.651 0 40 HJAB COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c(OC)c1 20610497 BNGGRMBAZMQRKG-UHFFFAOYSA-N 416.481 4.813 0 40 HJAB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccc(CC)cc2)n2c1nc1ccccc12 20638324 AOPMPPGJEYOLEU-FCHUYYIVSA-N 419.525 4.514 0 40 HJAB O=S(=O)(c1ccc(-c2csc(NCc3ccco3)n2)cc1)N1CCCCCC1 21474050 INHSNIZJGJCEFW-UHFFFAOYSA-N 417.556 4.580 0 40 HJAB CCCCc1ccc(-c2csc(NC(=O)C3CCN(C(=O)C4CC4)CC3)n2)cc1 24052659 QMUNFVGAHYBGNR-UHFFFAOYSA-N 411.571 4.740 0 40 HJAB Cc1[nH]c(C(=O)N(Cc2ccco2)Cc2cccs2)c(C)c1C(=O)OC(C)C 24460939 ZOFJJEPXSGJJNJ-UHFFFAOYSA-N 400.500 4.694 0 40 HJAB O=C(CN(Cc1ccco1)C(=O)c1cc(Cl)sc1Cl)Nc1ccccc1 24502277 USHRBMPGTBANHI-UHFFFAOYSA-N 409.294 4.929 0 40 HJAB Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@@H](c1ccccc1OCc1ccccn1)N3 25308828 UPJQMVQUGKPITF-NRFANRHFSA-N 416.506 4.741 0 40 HJAB CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 25461241 ZJZIUGBPCYRGNC-UHFFFAOYSA-N 416.405 4.599 0 40 HJAB Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2cccc(C(F)(F)F)c2)cc1 26963775 KRRSUXJGUUZZNE-LJQANCHMSA-N 402.372 4.658 0 40 HJAB Cc1sc2nc([C@@H](C)SCCC(=O)N[C@H](C)c3ccccc3)[nH]c(=O)c2c1C 32778740 QPCJPDUOWMYFPL-UKRRQHHQSA-N 415.584 4.663 0 40 HJAB COC(=O)c1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c(C)c1 32833477 JJQICBPAQOVNRG-UHFFFAOYSA-N 414.914 4.664 0 40 HJAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCN(CCC(C)C)CC3)cccc2c1=O 32933134 PGOVVUPVNQBQBQ-UHFFFAOYSA-N 418.537 4.572 0 40 HJAB CC(C)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3F)sc2c1 33000528 YFYMPAARPDTWOR-UHFFFAOYSA-N 403.504 4.761 0 40 HJAB CC[C@@H](C)c1ccc(O)c(NC(=O)c2cc(-n3cnnc3)ccc2Br)c1 35684142 HQQDIOUSUXKWPY-GFCCVEGCSA-N 415.291 4.501 0 40 HJAB CC(C)(C)OC(=O)N1[C@@H](CC[C@@H]2CO2)C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 35919746 BFHBDHFYJHFJKI-CLAROIROSA-N 423.509 4.811 0 40 HJAB in-vitro CC(C)Sc1cccc(-c2nnc(NC(=O)/C=C/c3ccc4c(c3)OCO4)o2)c1 36652638 ZIFBNZRCRDYPIO-VQHVLOKHSA-N 409.467 4.618 0 40 HJAB Cc1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)cc1C 38486540 NPINPCCMPKRLMF-UHFFFAOYSA-N 407.470 4.520 0 40 HJAB O=C(Nc1ccc(OC2CCCC2)cc1)NC1CCN(C(=O)C2CCCCC2)CC1 40120629 BOLRHQOUNFDOAP-UHFFFAOYSA-N 413.562 4.701 0 40 HJAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(C(F)(F)F)cc1 71980509 AEOBAVYLSSWXBY-CZDRUDQFSA-N 413.436 4.564 0 40 HJAB O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1 72330440 SWDNPTPLKQAUPZ-OFVILXPXSA-N 409.549 4.871 0 40 HJAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1 72355868 SPQSIXNDKHBPEY-FQEVSTJZSA-N 403.873 4.651 0 40 HJAB O=C(CSCc1ccccc1)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 90607131 MJQRQPDGYKUBSW-UHFFFAOYSA-N 406.555 4.610 0 40 HJAB Cc1cccc(NC(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)c1 96037665 QPLWGGAGFZLKFX-UHFFFAOYSA-N 401.514 4.516 0 40 HJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 223003888 UBDAVWKGJWWMFD-LJQANCHMSA-N 413.905 4.823 0 40 HJAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 223411270 JHFHATQHMFLSHN-FCHUYYIVSA-N 406.555 4.645 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 223646625 MYFXACGXTOOTRX-DEOSSOPVSA-N 408.586 4.878 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)c1 224236001 QZJBAFWVNARNNS-LJQANCHMSA-N 414.977 4.689 0 40 HJAB COc1cccc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 224381119 SZSIYEZDXQJJDT-UHFFFAOYSA-N 423.534 4.675 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 224390623 NVUXQPJXIXHUTB-XMMPIXPASA-N 420.528 4.855 0 40 HJAB COC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 225052753 SRRXHEZIRZVBEI-UHFFFAOYSA-N 424.305 4.515 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 225186393 LYHLOZQDBXVCOS-DEOSSOPVSA-N 424.585 4.831 0 40 HJAB COc1cc2c(cc1OC)-n1cccc1[C@@H](c1ccc(NC(=O)C3CC3)cc1)CC2=O 225381346 SQKQFAGUGQRNSM-GOSISDBHSA-N 416.477 4.561 0 40 HJAB COC1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCCCCC1 225631684 RVSBWLFEKMIUQC-HXUWFJFHSA-N 402.579 4.865 0 40 HJAB CC1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 226069964 NZDKJILBTJCEBK-QFIPXVFZSA-N 405.623 4.889 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257249992 JKNWHIWPMSBEFQ-FQEVSTJZSA-N 414.864 4.800 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)c1 408584129 LWQKWRKQNFPGPM-UHFFFAOYSA-N 401.532 4.512 0 40 HJAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)c1C 408701998 JAZPNNJCDMDEDH-UHFFFAOYSA-N 420.962 4.630 0 40 HJAB CCOC(=O)C1=CNc2cc(-c3ccc(Br)cc3)nn2[C@@H]1c1ccccc1 409025173 RCZWPAKAARMCMI-HXUWFJFHSA-N 424.298 4.775 0 40 HJAB Cc1sc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccccc1 409205968 GHZLLYBHCNTLJM-UHFFFAOYSA-N 410.539 4.817 0 40 HJAB COc1ccc(Nc2nc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCO4)cs2)cc1 524816214 BAGDIFAUTCYKBK-GOSISDBHSA-N 423.494 4.601 0 40 HJAB O=C(Nc1cc(Cc2ccccc2)ccc1O)c1cccn2cc(C(F)(F)F)nc12 1547362630 LQVPXFQWONCYSX-UHFFFAOYSA-N 411.383 4.902 0 40 HJAB O=C(c1ccoc1)N1CCC(C(=O)N2CC[C@H](c3ccccc3)c3ccccc32)CC1 1615054914 CKZVZTAPVAFFAN-JOCHJYFZSA-N 414.505 4.701 0 40 HJAB FC(F)(F)Oc1ccc(CNc2ncncc2-c2nc(-c3ccsc3)no2)cc1 1775973105 KYDWRKZMBALXCB-UHFFFAOYSA-N 419.388 4.766 0 40 HJAB CC1(C)C[C@@]2(CCCN2C(=O)c2ccc(C(F)(F)F)nc2)CN1c1ccc(F)cc1 2037988563 VUJYBDKFAFDKGV-NRFANRHFSA-N 421.438 4.903 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 683286 YRCYHXBZCLDDLD-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCCCCC1 917154 SBNXSRXHUBWULP-UHFFFAOYSA-N 404.539 4.700 0 40 HJAB O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)NCc1ccco1 1062004 FFVQAZCVNRRDNX-UHFFFAOYSA-N 401.491 4.812 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1cccc(Cl)c1 1224412 PTAJPJLWSRQPDY-UHFFFAOYSA-N 410.886 4.912 0 40 HJAB COc1cccc2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)c(=O)oc12 1342127 MNHXLTBAIVKFCI-UHFFFAOYSA-N 413.473 4.687 0 40 HJAB C[C@H](NC(=O)CCCCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 2309623 DVINHIDZHWXMON-IBGZPJMESA-N 406.526 4.891 0 40 HJAB COc1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 2636555 SDHAYTFMENUANG-UHFFFAOYSA-N 418.474 4.767 0 40 HJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)Nc1ccccc1 3293033 DWZILXXZMUWLMF-UHFFFAOYSA-N 424.913 4.971 0 40 HJAB CCOc1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2C(C)C)cc1 3308991 DZJFNTYOXVOUFD-UHFFFAOYSA-N 411.527 4.908 0 40 HJAB Cc1cccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 4109813 YDRNWUBTOCFOCT-UHFFFAOYSA-N 407.461 4.741 0 40 HJAB CCCCNC(=S)N(Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O 4133029 WWCQOKOYCZNNEH-UHFFFAOYSA-N 423.582 4.604 0 40 HJAB CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc2cc(OC)ccc2nc1Cl 4165103 GZHFKXAQPYQDKL-NRFANRHFSA-N 423.900 4.993 0 40 HJAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4cc(C)ccc4C)ncnc32)c(C)c1 4341741 ABBHXSMLLRJUIP-UHFFFAOYSA-N 417.538 4.780 0 40 HJAB CC(C)(C)CC(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 4354093 ATBNSXFJKCGGNP-UHFFFAOYSA-N 408.454 4.831 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@H]2c2c(C)[nH]c3ccccc23)cc1 4702688 NEIUMEZAYTZSFU-VWLOTQADSA-N 409.489 4.969 0 40 HJAB Cc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3ccco3)C2)cc1 4899053 MHQHJMDEDDQYAE-IBGZPJMESA-N 400.887 4.781 0 40 HJAB O=C(CN(Cc1ccco1)C(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 4906209 SQRGXHZOEIEWEC-UHFFFAOYSA-N 403.265 4.868 0 40 HJAB CSc1nnc([C@@H]2CCCN2C(=O)C2(c3ccc(Cl)cc3)CCCCC2)n1C 5001643 PIHSMRKNTOMJSJ-KRWDZBQOSA-N 418.994 4.756 0 40 HJAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 5136252 CKRUXQMULOJURM-UHFFFAOYSA-N 406.507 4.992 0 40 HJAB O=C([C@H](Sc1nnc(NCc2ccccc2)s1)c1ccccc1)N1CCCC1 5468806 PMUBGVWIKAQLEJ-GOSISDBHSA-N 410.568 4.606 0 40 HJAB Cc1ccccc1-n1c(C)nnc1SCC(=O)c1ccc(Br)cc1 5619829 FJHOKLUVFOJHSZ-UHFFFAOYSA-N 402.317 4.622 0 40 HJAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(OC)c(Cl)c4)cc3n2)cc1 5674400 JKAYNQNPDRTMSH-UHFFFAOYSA-N 406.873 4.897 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2ccc(C3SCCCS3)cc2)cc1C 6787616 HLUHJXXMINJYPT-UHFFFAOYSA-N 401.553 4.968 0 40 HJAB CCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1C 7638178 QDLQZIIQOIVCJY-INIZCTEOSA-N 406.482 4.681 0 40 HJAB O=C(NCc1ccccc1CN1CCCC1)c1cccc(NC(=O)c2cccs2)c1 8012719 SFKYMJMHAUOQLV-UHFFFAOYSA-N 419.550 4.526 0 40 HJAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)S(=O)(=O)c1cccs1 8168426 FCYHZSMWXWLZAK-UHFFFAOYSA-N 412.330 4.591 0 40 HJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCCOc1ccc2ccccc2c1 8707702 HHGVDPDXIWGKPF-UHFFFAOYSA-N 404.441 4.762 0 40 HJAB CCc1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc1-c1ccccc1 8782427 LIPVIPQZZNZGIR-OAHLLOKOSA-N 409.486 4.503 0 40 HJAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(-c2nc3ccccc3s2)o1 9337257 PAKTUUYLLLOPSV-MRXNPFEDSA-N 407.495 4.716 0 40 HJAB Cc1ccc2[nH]c(SCC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)nc2c1 9968766 NKLQPHPFBBZAMX-OAHLLOKOSA-N 422.579 4.979 0 40 HJAB O=C(COCc1nc2ccccc2s1)N[C@@H](c1ccc(F)cc1)c1cccs1 10291799 LMNURQMDEXVURT-NRFANRHFSA-N 412.511 4.919 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(Br)c(C)c2)c1 10916928 QWMFTSLCRFNLQR-UHFFFAOYSA-N 417.332 4.626 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1 11534920 LNOABGFYHQRQGJ-UHFFFAOYSA-N 406.482 4.525 0 40 HJAB CSCc1c(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)oc2ccccc12 12535690 SMIJHUGCQBQRJQ-IBGZPJMESA-N 409.486 4.688 0 40 HJAB Cc1cccnc1-n1c(SC[C@@H](O)c2ccc(Cl)cc2)nc2ccccc2c1=O 12633939 WSCUBKYJPFYKCW-LJQANCHMSA-N 423.925 4.568 0 40 HJAB O=C(CSc1nc2ccccc2[nH]1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 12691237 UPQFPDPUUTUEOR-UHFFFAOYSA-N 420.460 4.913 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)cc1 12887378 ZSXUTGFHDCTZHB-NJGYHNCTSA-N 401.890 4.743 0 40 HJAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc(OCc2ccc(F)cc2)cc1 13612433 WPXYMFIQSXMOOU-UHFFFAOYSA-N 419.905 4.678 0 40 HJAB CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)/C=C/c2cccc3cccnc23)cc1 14855212 INPKQNZQCONXMH-VMEIHUARSA-N 416.477 4.801 0 40 HJAB C[C@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)Nc1c(F)cccc1F 16711168 CZLICYXXFCTQRX-LURJTMIESA-N 409.603 4.504 0 40 HJAB COC(=O)c1ccc(Cn2nc(-c3cccc(OC)c3)cc2-c2cccc(OC)c2)o1 17091393 GIEJITARNWEATH-UHFFFAOYSA-N 418.449 4.662 0 40 HJAB CN(C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)C1CCCCC1 17357103 QADDUAQLVOOLRX-UHFFFAOYSA-N 424.925 4.685 0 40 HJAB CC(C)(C)OC(=O)N1CCC[C@H](c2nccc(-c3c[nH]nc3-c3cccc(F)c3)n2)C1 19083202 IOKJWCGPWBWPTP-INIZCTEOSA-N 423.492 4.787 0 40 HJAB C[C@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 23181138 NWQBJFCBIOHNOZ-CVDCTZTESA-N 411.615 4.696 0 40 HJAB Cc1nc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)nn1-c1ccc(F)cc1 23983866 ZLAFGQCAIJSJDU-LJQANCHMSA-N 424.526 4.626 0 40 HJAB c1ccc(-c2csc3ncnc(NC[C@H](c4cccs4)N4CCOCC4)c23)cc1 24574711 QQQWNFPHUFTFMY-GOSISDBHSA-N 422.579 4.905 0 40 HJAB CCOC(=O)c1cc(CC)sc1NC(=O)Cc1nc(-c2cccs2)oc1C 25167941 QFWDWRJXNZDYKY-UHFFFAOYSA-N 404.513 4.693 0 40 HJAB FC(F)Oc1ccc2ccccc2c1CNC[C@@H](c1cccs1)N1CCOCC1 25261203 HCSIJBSJTPIBHF-IBGZPJMESA-N 418.509 4.666 0 40 HJAB Cc1cc(-n2c(C)cc(/C=C3/N=C(c4ccc(OC(C)C)cc4)OC3=O)c2C)no1 27543653 BBHOZYDOKHDHLU-UDWIEESQSA-N 405.454 4.522 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1SCc1cn2ccccc2n1 28262319 QBGFDSZYKCOSHS-UHFFFAOYSA-N 417.490 4.650 0 40 HJAB COc1cc(Br)c(OC)c(C(=O)Nc2cc(C)c(Cl)cc2OC)c1 32895714 OIJNLCWRBOJAKT-UHFFFAOYSA-N 414.683 4.689 0 40 HJAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 36397665 PBFHZGYATPVJLU-NTCAYCPXSA-N 424.504 4.518 0 40 HJAB Cc1oc2cc(OCC(=O)N(C)Cc3cccs3)ccc2c(=O)c1-c1ccccc1 40050836 UXAUYYJNEYQKQE-UHFFFAOYSA-N 419.502 4.867 0 40 HJAB Cc1cc([C@@H](C)NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)c(C)s1 44490880 LJOFVURJEPAKIW-MRXNPFEDSA-N 413.564 4.830 0 40 HJAB CN(Cc1cc(Br)cs1)C(=O)c1cc(Br)cnc1Cl 50045426 IYFLDUPFCVAMGD-UHFFFAOYSA-N 424.545 4.594 0 40 HJAB CCCCn1c(S(=O)(=O)Cc2ccc(Br)cc2Cl)nc(C)c1C 61041663 PVHLDAGJMMAXDH-UHFFFAOYSA-N 419.772 4.690 0 40 HJAB Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCN(C4CCCCC4)CC3)sc21 61927159 SVGZUNTUUWRQAX-UHFFFAOYSA-N 422.598 4.794 0 40 HJAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(C)c5C)CC4)[C@H]3C=C12 61992841 QZODJIXEZBBWEI-IZJWWWMRSA-N 420.597 4.660 0 40 HJAB biogenic C[C@@H]1Cc2ccccc2N1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 72295233 UJDXNCUAXCBRRZ-CQSZACIVSA-N 422.326 4.715 0 40 HJAB Cc1ccc(-c2csc3ncnc(N(C)C4CCN(C[C@@H]5CCOC5)CC4)c23)cc1 72301763 QILBMBYYZROVGJ-SFHVURJKSA-N 422.598 4.604 0 40 HJAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1nc3ccc(Br)cc3s1)CC2=O 100859962 UIENINQDAPALPQ-ROUUACIJSA-N 407.333 4.783 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 222705590 VJQMESYOALFBLD-FQEVSTJZSA-N 421.368 4.868 0 40 HJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)OC)c2)o1 222902652 MOVYCIVRMCUBGC-NHCUHLMSSA-N 421.522 4.511 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C 223312227 BIWCOMDTLFROTN-QFIPXVFZSA-N 424.585 4.713 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2cccc(OC)c2)cc1 223646646 ZBODSHQXWRKBHP-UHFFFAOYSA-N 419.886 4.950 0 40 HJAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 223852417 TUSGCCXWPSTTAG-FGZHOGPDSA-N 404.539 4.881 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(OC(C)C)c3)c2)cc1 223957632 WOEJTUURWJTFLD-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccc(C)cc1 224124509 XLXFEJMXJUKFIP-UHFFFAOYSA-N 407.466 4.852 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1 225378468 KYJRZOACWGLTCJ-XMMPIXPASA-N 424.560 4.667 0 40 HJAB Cc1ccc(CN(C(=O)CCSCc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 225530129 JWKSPRZDTBYFSL-HXUWFJFHSA-N 412.599 4.560 0 40 HJAB COc1ccc(-c2nc3ccc(NC(=O)C(F)(F)F)cc3o2)cc1Br 226271902 IMEOITPRFZMPFC-UHFFFAOYSA-N 415.165 4.767 0 40 HJAB CN(C)c1cncc([C@@H]2CCCN2C(=O)C2(c3c(F)cccc3Cl)CCCC2)n1 257277093 NWJFIJBSIILGCV-SFHVURJKSA-N 416.928 4.511 0 40 HJAB Cc1ncsc1CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257308599 TXIATEFGHZWRBM-FXAWDEMLSA-N 404.963 5.000 0 40 HJAB CCOc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1ccccc1Cl 408572332 GGJSJBSXTRNVRC-KRWDZBQOSA-N 405.947 4.762 0 40 HJAB Cc1ccc(NC(=O)COc2cccc(CNc3cccc(C(=O)O)c3)c2)cc1Cl 408603619 BZVAHCIKXURBRW-UHFFFAOYSA-N 424.884 4.976 0 40 HJAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)c1 408615009 KSJSNVFENULELV-UHFFFAOYSA-N 423.310 4.940 0 40 HJAB Cc1cccc(N2C[C@@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)c1C 408645028 UGHJEGRKNMRQKG-INIZCTEOSA-N 415.331 4.674 0 40 HJAB CCOc1ccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)cc1 408675632 JYKJSJWCPSDTEZ-UHFFFAOYSA-N 402.425 4.966 0 40 HJAB O=C(CSCc1c(Cl)cccc1Cl)N1CCN(Cc2ccccc2)CC1 409179815 TYZNUJNQAVUBLQ-UHFFFAOYSA-N 409.382 4.571 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(F)cc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409361644 QNYPJNOBWUNBNA-WTANOLMUSA-N 400.416 4.741 0 40 HJAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)s3)C2=O)c(C)c1 409373350 HNNARTUIOVOBLT-CXUHLZMHSA-N 400.525 4.657 0 40 HJAB CC1(C)CC[C@H](NC(=O)Cn2cc(C=O)c(-c3ccccc3)n2)[C@H](c2ccccc2)C1 1558059888 KLTXNQADPZGFGG-GOTSBHOMSA-N 415.537 4.841 0 40 HJAB O=C(c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F)N1CCCCC1 865281 ZPKSZVCRNJOYCT-ZIAGYGMSSA-N 412.843 4.823 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1 873636 FXJHQDIOACLWHR-LBPRGKRZSA-N 418.316 4.927 0 40 HJAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)Nc3ccccc3)cc2c1 894718 GLTVIUVEEAHABT-UHFFFAOYSA-N 414.534 4.631 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1)C1CCC1 1355535 KBRSUSIRYYVWAT-UHFFFAOYSA-N 421.497 4.891 0 40 HJAB COc1ccc(-c2cc(NC(C)=O)n(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1 1415851 SPTFHBIJOONFAT-UHFFFAOYSA-N 408.458 4.769 0 40 HJAB COc1ccc(C(=O)N[C@H](Nc2ccc(C)cc2C)C(Cl)(Cl)Cl)cc1 3118656 FSHZOOLNAFFFAY-KRWDZBQOSA-N 401.721 4.850 0 40 HJAB CCc1ccc(Nc2nnc(SCC(=O)Nc3cccnc3Cl)s2)cc1 3282109 FAGSMEDHNALYBX-UHFFFAOYSA-N 405.936 4.623 0 40 HJAB O=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccccc1Cl 4200730 VXMFEZFDBFODRS-UHFFFAOYSA-N 401.900 4.813 0 40 HJAB COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC(C)(C)NC2(C)C 4275286 CRZCOAOMDGJNOQ-UHFFFAOYSA-N 406.935 4.600 0 40 HJAB COC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCCCC1)c1ccccc1CC2 4752067 YKYOIFYOKHOTFI-UHFFFAOYSA-N 407.514 4.504 0 40 HJAB biogenic O=C(COC(=O)c1ccccc1Nc1ccccc1)NC12CC3CC(CC(C3)C1)C2 4871631 TYZRMVWSJHHRAA-UHFFFAOYSA-N 404.510 4.672 0 40 HJAB C(=C/c1ccccc1)\CN1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 6602882 QDRKTBRXKRNYPI-JXMROGBWSA-N 407.521 4.527 0 40 HJAB C[C@@H]1CCc2sc(-c3nnc(SCc4nnc(-c5ccco5)o4)o3)cc2C1 7129249 OHJILGCPJZZNBQ-SNVBAGLBSA-N 400.485 4.858 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc(NC2CC2)s1)c1ccccc1 8074705 ZPNWGNGJCWFPJA-INIZCTEOSA-N 400.504 4.724 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cc1csc(-c2ccccc2)n1 8074911 TWVVVEXNYDVHDV-UHFFFAOYSA-N 416.550 4.814 0 40 HJAB COC(=O)c1sc2ccccc2c1-n1cccc1C(=O)C(=O)Nc1ccc(C)cc1 8773047 OXEKQMCTHBRHPX-UHFFFAOYSA-N 418.474 4.608 0 40 HJAB aggregator Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 9117228 FMRUQLQLQHMJDP-UHFFFAOYSA-N 415.324 4.654 0 40 HJAB COc1cccc(C(=O)c2c(N)c(C(=O)Nc3cc(C)cc(C)c3)c3ccccn23)c1 9316614 ADVKXLSZNJVTTP-UHFFFAOYSA-N 413.477 4.630 0 40 HJAB CC(C)(C)c1cc(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)on1 9517002 QESAKOMGMHFDGU-UHFFFAOYSA-N 410.421 4.665 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1ccc(F)cc1 10212753 NHZDUXXFBACQSI-UHFFFAOYSA-N 422.460 4.943 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(C)ccc3C)ccc2C)cc1 10328763 OJXWKPQNZJUBSA-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CCCn1nc(-c2ccc(Cl)cc2)ccc1=O 12440889 IMCAXJBQPVKESY-UHFFFAOYSA-N 416.308 4.944 0 40 HJAB Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)s1 12729752 UHKNOIZNQHUQGY-SFHVURJKSA-N 409.479 4.726 0 40 HJAB COc1ccc(C(=O)C2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)cc1 12740314 AKRBTXHYWMUHDV-UHFFFAOYSA-N 404.510 4.621 0 40 HJAB CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(Br)o1)c1ccccc1Cl 12849672 GQLRKSLUMCOHQW-CYBMUJFWSA-N 414.683 4.508 0 40 HJAB COc1cccc(C(=O)Nc2cc(I)ccc2C(F)(F)F)c1 12856801 HJEHEGSKZFMSHR-UHFFFAOYSA-N 421.156 4.571 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)Nc2ccc(F)cc2)c1 13056693 NFQLZNPPKRVKFL-XMMPIXPASA-N 419.500 4.693 0 40 HJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1c(F)c(F)c(OC)c(F)c1F 17089802 ZCMOCDGUYUEZQX-VIFPVBQESA-N 414.424 4.892 0 40 HJAB COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(CC2CCCCC2)C1 19568924 NUKXZYKENZPWCP-PXDATVDWSA-N 421.585 4.854 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1 19688557 JBKNYGDMBRXFGH-QHCPKHFHSA-N 408.448 4.693 0 40 HJAB COc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1-c1ccc(CO)o1 20144771 FLVRFBMOELLDRX-UHFFFAOYSA-N 415.873 4.897 0 40 HJAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20151518 UNOSEWUKSCCELR-UHFFFAOYSA-N 400.887 4.528 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(C)c1 20458348 NMGJHGJGKKQJLI-GOSISDBHSA-N 408.523 4.595 0 40 HJAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 24005764 WXDYSSNJXOSIDA-GOSISDBHSA-N 404.535 4.778 0 40 HJAB C[C@@H]1Cc2cc(Br)cc3c(=O)c(C(=O)NC4CCCCCCC4)cn1c23 33089246 QEFRIXKXUDBMKK-CYBMUJFWSA-N 417.347 4.724 0 40 HJAB CC(C)(C)SCCNC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38852213 OCXSVCGMCWOSJH-UHFFFAOYSA-N 403.419 4.853 0 40 HJAB O=C(/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1)N1CCOCC1 40050822 QAUUHNBXIKOBKG-OQKWZONESA-N 405.519 4.727 0 40 HJAB Cc1ccc(CN2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)cc1 44855375 KFLKSMXWDQCILN-HSZRJFAPSA-N 406.570 4.934 0 40 HJAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(Cc1cccc(C(F)(F)F)c1)C3 57143047 OPJCMRCAYLYCLG-UHFFFAOYSA-N 401.384 4.653 0 40 HJAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)cc1F 57363701 FYCXWLRCHZSNLA-OAHLLOKOSA-N 409.436 4.506 0 40 HJAB CC(C)CCn1c(SCC(=O)Nc2ccccc2Cl)nc2ccsc2c1=O 57425988 XOBWWHXPSDICLA-UHFFFAOYSA-N 421.975 4.888 0 40 HJAB CCOc1cccc([C@H](C)NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1 60183066 ZUIVNXARPYRFBJ-CYFREDJKSA-N 416.521 4.824 0 40 HJAB CC[C@H](C)n1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2ccsc2c1=O 67335173 NSDLXVVSDQBNCG-AWEZNQCLSA-N 401.557 4.777 0 40 HJAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccccc2OC)C12CCCC2 96344617 DMKWCHNIBJFTNH-QHCPKHFHSA-N 420.553 4.664 0 40 HJAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(Cl)cc3Cl)oc2c1 100086451 ZSYIMHJKDCHAMO-GFMRDNFCSA-N 404.297 4.917 0 40 HJAB CC1=NN(c2ccccc2)[C@H]2O[C@@]3(C)C[C@](C)(Oc4c3c(C)nn4-c3ccccc3)[C@H]12 102782040 IEIBUZSTLRNBJL-VQPAQMSKSA-N 414.509 4.806 0 40 HJAB COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H]1O[C@@H]2[C@H](C)[C@H]1C 102980119 RNIZTMIJCBCDBR-LAARNHDHSA-N 414.454 4.515 0 40 HJAB C[C@H]1[C@@H](CCC(=O)O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 118936258 WEBIGGMMPNOWDP-SRRVNOOBSA-N 404.591 4.884 0 40 HJAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3nc4ccccc4s3)C2)n1 220808530 ASRLNKCHXYLSCW-MRXNPFEDSA-N 418.522 4.750 0 40 HJAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 223026297 IPBCJRVWJUHGOK-VQTJNVASSA-N 413.930 4.614 0 40 HJAB Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c(C)c1 223938235 UQYJFAMQCIVBGE-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 223939809 BHMIWSJYFKFNJX-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225102127 RCXXWFGYJHRWCP-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 225188594 ZOCIZZDSFNMJIF-XMMPIXPASA-N 408.586 4.824 0 40 HJAB Fc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(C(F)(F)F)n2)cc1 225949496 YRVXPYUNYJSHQP-UHFFFAOYSA-N 422.407 4.913 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c(C)c1 408659796 PLGMYKVKRMGQHG-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)O 408668845 FNAGSGZUNQDQLN-UHFFFAOYSA-N 424.840 4.551 0 40 HJAB CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2C)cc1 409105232 HSTYPVNKHKQIBH-UHFFFAOYSA-N 416.934 4.667 0 40 HJAB CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1OC 409247783 NVJFKNNPZFWBDE-JASJWYONSA-N 413.923 4.599 0 40 HJAB O=C(Nc1ccc(CCN2CCOCC2)cc1)c1ccccc1Nc1ccccc1 516399335 OXWPDCNSCHIYMX-UHFFFAOYSA-N 401.510 4.557 0 40 HJAB COc1cc(C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)ccc1OC(F)F 523270192 LMPQSZKLLUPBHD-CQSZACIVSA-N 424.875 4.515 0 40 HJAB O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)N1CC[C@]2(C1)C(=O)Nc1ccccc12 681802545 DHILPBXCUCOMFM-YIXXDRMTSA-N 423.516 4.646 0 40 HJAB Cc1ccc(O)c(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@@H]3C(F)(F)F)c1 866502 KCTYINFBWPAEHI-XJKSGUPXSA-N 422.432 4.871 0 40 HJAB O=C1Nc2ccccc2[C@@]12CC(c1ccc(F)cc1)=NC(=S)N2c1ccc(F)cc1 1087367 UAEZSGAQBSSTSC-QHCPKHFHSA-N 419.456 4.797 0 40 HJAB O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1 1096472 FWVKGLMDJOKJOY-UHFFFAOYSA-N 414.914 4.984 0 40 HJAB CCCCc1ccc(N2C3=[N+](CCCS3)C[C@]2(O)c2ccc(Cl)cc2)cc1 3227246 AGNNFZBWFDWNOQ-QFIPXVFZSA-N 401.983 4.853 0 40 HJAB COC(=O)CC[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@@]21C 4081642 ZHUOOEGSSFNTNP-OPLVKRNHSA-N 406.607 4.566 0 40 HJAB biogenic CC[C@@H](C)NC(=S)N(CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O 4161947 VIDJFMGHRFRLLE-LJQANCHMSA-N 421.610 4.863 0 40 HJAB CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(OC)cc1OC 4194586 WPMGTFQLGKPGSJ-SFHVURJKSA-N 417.303 4.554 0 40 HJAB O=C(CN1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 5218913 ARYCMISIZKOYJP-MZYLBHOOSA-N 416.924 4.786 0 40 HJAB COC(=O)/C(=C\c1ccc(/C=C(\C(=O)O)c2ccc(OC)cc2)o1)c1ccccc1 6404123 RCJZGELYXLOSJG-HHQODBOJSA-N 404.418 4.627 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc(C2CC2)nn1-c1ccccc1 6590738 YWHOOYGESHOUGJ-UHFFFAOYSA-N 414.509 4.628 0 40 HJAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccc(Cl)cc1F 6612168 REXBSWNGMZSBSP-UHFFFAOYSA-N 411.816 4.899 0 40 HJAB CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 6633806 ZAAQOVWXPWJXFV-UHFFFAOYSA-N 402.494 4.758 0 40 HJAB COC(=O)CSc1nnc(Cc2cccc3ccccc23)n1-c1ccc(C)cc1C 6822539 WEKLMVQBNIAWRL-UHFFFAOYSA-N 417.534 4.893 0 40 HJAB COCc1c(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)oc2ccccc12 6933626 GOTGVQBTWHXOSS-UHFFFAOYSA-N 404.418 4.531 0 40 HJAB COc1ccc([C@H](NC(=O)CSc2nc3cc(C)ccc3[nH]2)c2ccccc2)cc1 6972222 XOYKIOLUUBCNMX-HSZRJFAPSA-N 417.534 4.878 0 40 HJAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 7217473 AXRYXJJPYUBWHK-OAHLLOKOSA-N 412.458 4.841 0 40 HJAB Cc1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c1C 7615990 LIGCQIOGBMXKAN-UHFFFAOYSA-N 417.896 4.972 0 40 HJAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc(F)cc1 9120437 MVURTKUJPBMKTO-UHFFFAOYSA-N 417.893 4.960 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 9502610 KKIZROQZEGPAPU-UHFFFAOYSA-N 418.541 4.553 0 40 HJAB O=C(/C=C/c1c(Cl)nc2ccccn12)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9576054 VTONMVDCOXIQIA-SYJIQKIWSA-N 423.900 4.526 0 40 HJAB O=C(Cc1cccs1)Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1 11613706 OZRBPZNTLQMGFP-UHFFFAOYSA-N 417.519 4.763 0 40 HJAB COc1ccccc1NC(=O)CSc1nc(N)c2c(-c3ccccc3)csc2n1 12324187 HIYHOCWJXIVSKX-UHFFFAOYSA-N 422.535 4.680 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N(C)Cc1nc2ccccc2s1 12927479 TWWHVWOYISVGDY-CYBMUJFWSA-N 403.935 4.726 0 40 HJAB Brc1cccc(-c2nn3c(-c4ccc5ccccc5n4)nnc3s2)c1 13685339 GIWJXZQLPYHODV-UHFFFAOYSA-N 408.284 4.831 0 40 HJAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(-c2ccccc2)cc1 14117233 BTHONSQMEAWTIX-GOSISDBHSA-N 413.521 4.535 0 40 HJAB CCOc1cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc(OCC)c1OCC 17089917 NPXNOIGJSQVMMU-UHFFFAOYSA-N 414.502 4.730 0 40 HJAB CCOc1ccc(-c2cccc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)c2)nn1 17315637 PZTLVKFWIXVICV-UHFFFAOYSA-N 417.918 4.613 0 40 HJAB Cc1cc(C)c2c(C3CCN(C(=O)c4ccccc4F)CC3)nn(CC(C)C)c2n1 19118894 XEVOPNJQISBZDT-UHFFFAOYSA-N 408.521 4.863 0 40 HJAB CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1 19172567 JDZCHHKQFYNLPK-UHFFFAOYSA-N 414.552 4.602 0 40 HJAB c1ccc(OC[C@@H]2CCCO2)c(CN[C@H](Cc2ccsc2)c2nccs2)c1 19349540 NJXPNIGAQNEPFO-RBUKOAKNSA-N 400.569 4.836 0 40 HJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3ccncc3)cc2N1 19451208 UJCHFNSLYLTTOD-RYQLBKOJSA-N 421.467 4.589 0 40 HJAB COc1cccc([C@@H]2CN(C(=O)C3CCCC3)[C@H]3CCN(Cc4ccsc4)C[C@H]32)c1 19566163 JXRXTVZJCMWCGM-HJOGWXRNSA-N 424.610 4.763 0 40 HJAB CC(C)n1cc(CN2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)c2ccccc21 19705638 RVWBLVGQXNNYPD-FQEVSTJZSA-N 404.558 4.699 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 20610655 POXAVIDBRGUZRQ-UHFFFAOYSA-N 400.482 4.870 0 40 HJAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24537001 MWOOMPKBISRABR-MRXNPFEDSA-N 408.498 4.654 0 40 HJAB Cc1ccc(-c2nnc(CCC(=O)Nc3ccc4[nH]c(C(C)(C)C)nc4c3)o2)cc1 24837123 QQHBPZSUKMZMJM-UHFFFAOYSA-N 403.486 4.790 0 40 HJAB CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nccn2-c2cccc(Cl)c2)cc1 26048000 YDXSTJCUTZZEGS-AWEZNQCLSA-N 413.930 4.698 0 40 HJAB Cc1ccc2c(C)c(C(=O)NC[C@H](c3ccc(C(C)C)cc3)N3CCOCC3)oc2c1 28292447 KHVYRAGRABQOBA-HSZRJFAPSA-N 420.553 4.976 0 40 HJAB CCc1ccc([C@@H](CNC(=O)COc2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 28292840 FKDARTITVNUKGB-XMMPIXPASA-N 408.586 4.879 0 40 HJAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 32747563 FGBAXZREFAYHTL-SFHVURJKSA-N 421.522 4.652 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@H](c3nc4ccccc4n3Cc3ccccc3)C2)cc1 33327225 PTZNQQFYJDPLKV-VWLOTQADSA-N 424.504 4.791 0 40 HJAB CSCCSC1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1ccc(C)cc1 33462900 OGGYWXMXCDSNHL-GZTJUZNOSA-N 412.536 4.564 0 40 HJAB Brc1cn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccccc3)nc2cn1 35511594 VIIHZLLWOHNPMM-UHFFFAOYSA-N 423.270 4.674 0 40 HJAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 36092266 MNJJMOWNOOCDRA-YKLJGAPNSA-N 414.288 4.884 0 40 HJAB Cc1ccc(C)c(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)c1 38486538 ZSDRNTINZWEGDI-UHFFFAOYSA-N 407.470 4.520 0 40 HJAB CC(=O)Nc1cc(NC(=O)CCCCc2ccc(Br)cc2)ccc1F 40132649 PXBSQRALDHJJLI-UHFFFAOYSA-N 407.283 4.898 0 40 HJAB Cc1cccc(-c2csc3c(=O)[nH]c(N4CCN(c5cccc(C)c5)CC4)nc23)c1 48987279 IICHGYXYLHGQBK-UHFFFAOYSA-N 416.550 4.595 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1)c1cccc(F)c1 72330501 VFWHJSAJTQKKPG-YKSBVNFPSA-N 421.491 4.743 0 40 HJAB CCCCOc1ccc(C2=N/C(=C\c3c(Cl)nc4sccn34)C(=O)O2)cc1 96133927 VGFYLJNERSACJR-KAMYIIQDSA-N 401.875 4.573 0 40 HJAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 222757583 WHHXWKPWZAWQMN-ROUUACIJSA-N 414.328 4.706 0 40 HJAB COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccc(-c2ccccc2)cc1 224214873 APZUGAKKCZLQKD-DEOSSOPVSA-N 417.505 4.850 0 40 HJAB CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224798033 CPXSPTCANRAVAW-UHFFFAOYSA-N 413.495 4.711 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 224977091 UCWMBWWFOWRHFI-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 225034065 NAWBEWYYJIZWNT-HSZRJFAPSA-N 410.533 4.625 0 40 HJAB COc1cc2c(cc1S(=O)(=O)N[C@H](c1ccccc1)c1cccc(C)c1)CCCC2 225050381 OGFPQVAIXJNQMG-RUZDIDTESA-N 421.562 4.950 0 40 HJAB COc1cc(CNC(=S)Nc2ccc(Br)cc2)ccc1OC(C)C 225530378 AILGNKDOWOCZOW-UHFFFAOYSA-N 409.349 4.732 0 40 HJAB CC1(C)C[C@@H](NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)C[C@@](C)(CNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C1 225604415 BCUCJWQATQBQSA-ZIVDNTLOSA-N 414.634 4.676 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 225615240 AXEBRQDYVFPNMD-MRXNPFEDSA-N 421.368 4.868 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225719313 IEHVDWKMMXRVFM-HXUWFJFHSA-N 421.368 4.868 0 40 HJAB CCC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2CN(C)C[C@H](C)c2ccccc2)C1 248126886 PAQLLIFNTBUBHQ-FPOVZHCZSA-N 418.585 4.914 0 40 HJAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc(Cl)c1OC 260788376 ZLUTUYGNNNJSBN-OCBCSQNSSA-N 403.935 4.732 0 40 HJAB O=C(c1ccsc1)N1CCC[C@@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 306124940 CCRFICFRUWPMJS-QGZVFWFLSA-N 406.486 4.617 0 40 HJAB CC1CCN(c2ccccc2NC(=S)NC(=O)Cc2ccc(Cl)cc2)CC1 408624151 BGLHMMQVTFIQSV-UHFFFAOYSA-N 401.963 4.632 0 40 HJAB O=C(COC(=O)c1ccccc1Cl)Nc1ccc(Cl)c(Br)c1 409205428 QJNSVWSKVVZSTK-UHFFFAOYSA-N 403.059 4.551 0 40 HJAB O=c1nc(-c2ccc(OCc3ccc(Br)cc3)cc2)[nH]c2ccccc12 575410936 PGTSJOFGULNMNY-UHFFFAOYSA-N 407.267 4.932 0 40 HJAB O=C(N[C@H]1CCc2ccc(-c3ccccc3)cc21)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 681802542 DHILPBXCUCOMFM-HOFKKMOUSA-N 423.516 4.646 0 40 HJAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)/C=C/c3ccccc3)CC2)cc(C)c1Cl 1615134644 PWFADOMVKIIAHH-HBRDYDSTSA-N 413.945 4.793 0 40 HJAB Cc1ccc(-c2cc(C(=O)N3CC[C@@H](c4cc(C)c(Cl)cc4O)C3)n[nH]2)cc1C 1646339227 CFTDMOWMFCGALT-QGZVFWFLSA-N 409.917 4.991 0 40 HJAB Cc1ccc(C(=O)c2cn(CC3CCCCC3)c3cc4c(cc3c2=O)OCCO4)cc1 1889211569 AROQKBMPRNNYKX-UHFFFAOYSA-N 417.505 4.892 0 40 HJAB COc1cccc(NC(=O)CSc2nc(C)nc3sc4c(c23)CC[C@H](C)C4)c1 1326191 OFDWXFGJQYBNBV-LBPRGKRZSA-N 413.568 4.864 0 40 HJAB CCc1ccc2nc3sc(C(=O)Nc4ccc(OC)c(OC)c4)c(N)c3cc2c1 1342815 AODHRODDOOQNHH-UHFFFAOYSA-N 407.495 4.864 0 40 HJAB C[C@H]1CCCN(C(=O)CSc2ncnc3c(-c4ccc(Cl)cc4)nsc23)C1 1358690 QZDDOKXBTQFKRE-LBPRGKRZSA-N 418.975 4.757 0 40 HJAB O=C(N[C@@H](C(=O)Nc1cccc(Cl)c1)c1ccccc1)c1ccc2ccccc2n1 1436692 KLFZQPXFJOATSN-JOCHJYFZSA-N 415.880 4.998 0 40 HJAB O=C(OCC(=O)N1CCCCC1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2631179 AJHDRAZBAZXDFW-UHFFFAOYSA-N 414.914 4.786 0 40 HJAB CCOC(=O)c1c(NC(=O)CSc2ncnc3sccc23)sc(C)c1CC 3245944 VFROFCXQRDPGGO-UHFFFAOYSA-N 421.569 4.531 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 3246270 LKFCRWUZNGVDIW-SFHVURJKSA-N 401.462 4.669 0 40 HJAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)c1 4353925 KSONTKJSZHKTRB-UHFFFAOYSA-N 406.394 4.548 0 40 HJAB NC(=O)C1(C2CCCCC2)CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 4549446 DVGRVTOGYGPXQF-UHFFFAOYSA-N 413.509 4.550 0 40 HJAB O=C(Cc1ccccc1)NCCCN(CCc1ccccc1)CCc1ccccc1 4748011 JSWHQIIODUKZQE-UHFFFAOYSA-N 400.566 4.523 0 40 HJAB CCCC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@@H]1c1ccc(OC)cc1 4816870 GLJYUUNXRYBWRT-WOJBJXKFSA-N 410.905 4.808 0 40 HJAB Cn1c(-c2ccccc2)c(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c2ccccc21 4835508 OGAVLSBNIUHANF-UHFFFAOYSA-N 412.276 4.592 0 40 HJAB CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)c1 5324043 DHKTTWNEWJHSSL-QFIPXVFZSA-N 412.445 4.645 0 40 HJAB CCCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@H](C)CC)cc1 5825027 ZOIXLMKIOZWTJH-KUHUBIRLSA-N 403.548 4.903 0 40 HJAB COc1cccc(-c2nnc(SCC(=O)c3cccs3)n2Cc2ccco2)c1 5877924 KHAULYJVDYJMBK-UHFFFAOYSA-N 411.508 4.632 0 40 HJAB COCCCNC(=O)/C(=C/c1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 6657774 GTPWDHDBVRVZGI-SDNWHVSQSA-N 404.297 4.563 0 40 HJAB Cc1ccc(C(=O)CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)s1 6994425 JRXZXIAZWDXAMS-UHFFFAOYSA-N 418.975 4.866 0 40 HJAB CCc1nnc(S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)O)[nH]1 7342444 NFPDFGBPMGEUQL-YBEGLDIGSA-N 402.907 4.646 0 40 HJAB COc1cccc(NCc2nnc(SC[C@H]3CCCO3)n2C2CCCCC2)c1 8193262 UIYHGQKIPQJEBB-LJQANCHMSA-N 402.564 4.675 0 40 HJAB Cn1c(=O)cc2c3c(c(Sc4nc5ccccc5[nH]4)ccc31)C(=O)c1ccccc1-2 8642836 SKNBUOLPCKCXCW-UHFFFAOYSA-N 409.470 4.777 0 40 HJAB CC(=O)c1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(C)c2=O)cc1 8844327 YYENUIRCRHTHEV-UHFFFAOYSA-N 423.472 4.569 0 40 HJAB COc1ccc(CCC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1 8959018 BXFSHCXHLJIWDO-UHFFFAOYSA-N 424.541 4.674 0 40 HJAB O=C(NCCSCc1ccccc1F)C1CCN(Cc2ccccc2Cl)CC1 9062631 XKRVKEBFIGUJLW-UHFFFAOYSA-N 420.981 4.741 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)C4CCCCC4)ccc32)cc1 10220766 LQZRTKGXKACMJJ-UHFFFAOYSA-N 412.555 4.655 0 40 HJAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCCCC3)c2c1 12437846 WAKLHXPSBJHUIN-UHFFFAOYSA-N 410.539 4.765 0 40 HJAB COc1cccc(CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 12568587 WLXSMCYIOVAZDC-UHFFFAOYSA-N 417.534 4.941 0 40 HJAB C[C@H](NCCc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3)c1ccc(F)cc1F 12684245 JTVDERKBSCMVDE-NEPJUHHUSA-N 402.514 4.570 0 40 HJAB CC[C@H](NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1)c1ccc(OC)cc1 12916041 CKWLZJSBRHJHHV-NRFANRHFSA-N 420.538 4.739 0 40 HJAB Cc1cccc(CNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 13669833 IZLXHGBWHPYRPA-RUZDIDTESA-N 416.546 4.699 0 40 HJAB O=C(Cc1csc(-c2ccccc2)n1)N1CCC(O)(c2ccc(Cl)cc2)CC1 13690201 LEZJJGVSYAFQFX-UHFFFAOYSA-N 412.942 4.516 0 40 HJAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 13999706 GCTUWIROTVZSOB-OALUTQOASA-N 402.494 4.892 0 40 HJAB CCOc1c(Br)cc(C(=O)Nc2ccc(F)cc2Cl)cc1OC 15009704 SMXUTSYHRRJCBA-UHFFFAOYSA-N 402.647 4.901 0 40 HJAB CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1cc2ccccc2o1 15019315 SBDLHJXRTBXQMF-HNNXBMFYSA-N 406.511 4.681 0 40 HJAB Cc1cccc(Nc2nc(NCc3cccnc3)nc3c2cnn3-c2ccccc2)c1 17135447 CTFAGXCBYSEVHX-UHFFFAOYSA-N 407.481 4.875 0 40 HJAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 19400639 GVMOOXRARZPCAJ-SQJMNOBHSA-N 409.549 4.871 0 40 HJAB Cc1nc([C@@]2(O)CCCN(C(=O)C(C)C)CC2)sc1COc1ccc(Cl)cc1 19705251 OWBZNWPEDIVGSW-OAQYLSRUSA-N 422.978 4.540 0 40 HJAB Cc1nc2ccc(NC(=O)Nc3ccccc3Cl)cc2c(=O)n1-c1ccccc1 22497507 ZFUIZURCELSEMX-UHFFFAOYSA-N 404.857 4.992 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 26556418 CCIIRQLNJBUTFQ-XZOQPEGZSA-N 422.525 4.570 0 40 HJAB Cc1nn(Cc2cccc(C(=O)Nc3ccc(F)cc3F)c2)c(C)c1Br 27970594 PTUVZLPCHJUYOL-UHFFFAOYSA-N 420.257 4.841 0 40 HJAB CCCOc1ccc(-c2nsc(NC(=O)c3ccccc3Cl)n2)cc1OC 28287279 ITCHJPOCNZDHET-UHFFFAOYSA-N 403.891 4.908 0 40 HJAB CCCc1ccc(-c2nc(NC(=O)c3cnc4ccc(C)cn4c3=O)sc2C)cc1 30576052 AGWCOYTWVIIPTM-UHFFFAOYSA-N 418.522 4.640 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1 33048713 RIEIYPYRUQBVKU-UHFFFAOYSA-N 421.907 4.824 0 40 HJAB CCCCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(OC)cc3)nc21 36614675 YIPGHUSMTNEXKF-UHFFFAOYSA-N 409.433 4.949 0 40 HJAB O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 38833931 JZOXUMKJFLECCL-OAHLLOKOSA-N 407.739 4.953 0 40 HJAB Cc1c(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C 40094948 CMGVGGZEKTUXCA-GFCCVEGCSA-N 419.312 4.674 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1 57486647 QKDHONJGMLGUJG-MRXNPFEDSA-N 404.445 4.530 0 40 HJAB COc1cccc(-c2cnc(NCc3ccc(Cl)cc3)nc2-c2nccn2C)c1 57775491 XCMDYBHFSLOCJC-UHFFFAOYSA-N 405.889 4.818 0 40 HJAB Cc1cc(CNC(=O)Cc2csc(-n3c(C)ccc3C)n2)c2[nH]c(C)c(C)c2c1 58433501 MJTCGMMRYMXAHF-UHFFFAOYSA-N 406.555 4.816 0 40 HJAB COc1cc(-c2nnc(C3(c4ccc(F)cc4)CCOCC3)o2)ccc1OC(C)C 71889730 JPYJJLBCXMKUDX-UHFFFAOYSA-N 412.461 4.768 0 40 HJAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(c3ncc[nH]3)CC2)cc1Cl 72289473 MDGBKVWKPVKBQN-NRFANRHFSA-N 408.933 4.931 0 40 HJAB Cn1cc(CN2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)c2cc(F)ccc21 72375753 KSKAOXYDUFMMJS-OAQYLSRUSA-N 402.477 4.583 0 40 HJAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N(CCc1cccs1)Cc1ccoc1 90612416 SEDOSEPEENLQKV-UHFFFAOYSA-N 415.458 4.794 0 40 HJAB Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC2CC2)c2ccccc2O3)s1 96053427 YURHYTKUHVLWJX-GOSISDBHSA-N 410.583 4.626 0 40 HJAB O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215201367 HTDJDFIULYZBTD-AYSLTRBKSA-N 424.261 4.664 0 40 HJAB Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 222737484 DKRZOSNPGVYNTL-UHFFFAOYSA-N 404.535 4.797 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 223313054 RNXJXFMHBRXLEI-OAQYLSRUSA-N 414.977 4.913 0 40 HJAB Cc1ccccc1-c1noc(CN(C)C(=O)CSCc2ccc(Cl)cc2F)n1 223445766 MMYGJKJZDWBEQV-UHFFFAOYSA-N 419.909 4.729 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 224262125 CMZVBMDCIZFKKF-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 224441458 YZCVIUTWNPJLHX-AKGOGDBKSA-N 408.498 4.844 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)cc1 224690320 DGALRAPYXZHVIM-IBGZPJMESA-N 410.533 4.543 0 40 HJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1CN1CCCC1 224788145 UWOUWKSFDXFRNL-VWLOTQADSA-N 402.538 4.909 0 40 HJAB COc1ccc(NC(=S)NCCCSCc2ccc(F)cc2)c2cccnc12 225616900 KUAVPBCYHYGQOE-UHFFFAOYSA-N 415.559 4.992 0 40 HJAB CO[C@@]1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCC[C@H](C)C1 225636604 NHAICCMXTWFFBM-RDPSFJRHSA-N 402.579 4.721 0 40 HJAB Cc1cc(C)c(OCC(=O)Nc2cc(C)c3nc(N)sc3c2)c(Br)c1 226311931 QSODGPSSQIJVIT-UHFFFAOYSA-N 420.332 4.584 0 40 HJAB CCc1n[nH]c(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c1C 257285197 PGBPDCDQZNCCDR-IBGZPJMESA-N 412.921 4.880 0 40 HJAB Cc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@]2(O)C(F)(F)F)c(Cl)c1 408564219 WIGWQAAVIRYNQF-KRWDZBQOSA-N 417.214 4.803 0 40 HJAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(O)c(Br)c2)S1 408814782 SFWGHTLTIJENHK-UHFFFAOYSA-N 424.727 4.880 0 40 HJAB O=C(NCc1nccnc1-c1ccsc1)c1cc(Br)ccc1Cl 575618484 IIHUMHNQLLQQLW-UHFFFAOYSA-N 408.708 4.551 0 40 HJAB Cc1cnccc1C(=O)N1Cc2ccccc2NCC[C@H]2CC[C@@H](C1)N2CCC(C)C 643567822 YFRFRJWMVKIJRN-PKTZIBPZSA-N 420.601 4.727 0 40 HJAB CCN(C(=O)c1c[nH]nc1C1CCC(CNC(=O)C(C)(C)C)CC1)c1ccccc1 2037834420 BTSVDOZLBKYTES-UHFFFAOYSA-N 410.562 4.513 0 40 HJAB Cc1ccc(CNC(=O)c2cnn3c2N[C@@H](c2ccc(C)cc2)C[C@H]3C(F)F)cc1 900493 NJBURQOXYUIWRW-UXHICEINSA-N 410.468 4.793 0 40 HJAB Clc1ccccc1Cn1nnc2c(Sc3nc4ccccc4s3)ncnc21 1035491 MVDIFGRTOJUIAP-UHFFFAOYSA-N 410.915 4.684 0 40 HJAB COc1ccc(CN(Cc2ccccc2C)C(=O)c2cc3ccccc3oc2=O)cc1 1330148 GANWIDNLKMHLDD-UHFFFAOYSA-N 413.473 4.953 0 40 HJAB O=S(=O)(Nc1ccc(Oc2cnc3ccccc3n2)cc1)c1ccc(Cl)cc1 1384819 LCFRUNFZQYAVJJ-UHFFFAOYSA-N 411.870 4.876 0 40 HJAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)c(Cl)c2)c1 1839942 YWYJYXXTEGYBFZ-UHFFFAOYSA-N 417.962 4.856 0 40 HJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(Br)c1)CO3 2113182 VWRKVPDQWQOASD-UHFFFAOYSA-N 400.272 4.783 0 40 HJAB biogenic COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 2410191 QQUDKVMMXYWDSL-LJQANCHMSA-N 418.474 4.625 0 40 HJAB Cc1cc(-c2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)n(C)n1 2730670 WEWJUDPNCPZWOX-UHFFFAOYSA-N 420.329 4.542 0 40 HJAB O=C(OCc1nnc(-c2cccs2)o1)c1c2c(nc3ccccc13)CCCCC2 3535981 HUPYBAWGRAXJLG-UHFFFAOYSA-N 405.479 4.972 0 40 HJAB O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc4ccccc4c3)c(=O)n1C2 4237085 RIEQLIUUODEISW-LAUBAEHRSA-N 410.473 4.521 0 40 HJAB biogenic,in-vitro COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 4240776 ZLFSCWLXYXXUOP-HSZRJFAPSA-N 418.493 4.735 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)NCc3cccs3)c(Cl)c12 5313884 CZJDUGFGQJOOSN-UHFFFAOYSA-N 400.866 4.513 0 40 HJAB S=C(NC/C(Br)=C/Br)Nc1cccc2ccccc12 5594314 AZIZQHJEOVVYBO-FLIBITNWSA-N 400.139 4.757 0 40 HJAB CC(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2NC2CCCCC2)CC1 6590644 FGNQAKQSIUYTJO-UHFFFAOYSA-N 411.468 4.647 0 40 HJAB CCCCc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 6652949 LUXOCJPBPCVXJX-UHFFFAOYSA-N 402.560 4.557 0 40 HJAB CN(C)Cc1ccccc1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 6992573 LQCLDIDTJSCHBP-UHFFFAOYSA-N 410.521 4.531 0 40 HJAB O=C(Nc1ccc(NC(=O)c2ccc3nsnc3c2)cc1)c1cccc(Cl)c1 8071981 RSOHCDPOCAFYMH-UHFFFAOYSA-N 408.870 4.849 0 40 HJAB CCCCc1ccc(NC(=O)CC[C@@H]2N=C(O)N([C@@H](C)c3ccccc3)C2=O)cc1 9420950 ITUPIAQLBSKHCA-UWJYYQICSA-N 407.514 4.634 0 40 HJAB C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 9515261 JQBGXJFVNSXMJJ-HXUWFJFHSA-N 416.521 4.520 0 40 HJAB CC(C)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)n2nnnc2N3)cc1 10337012 POKUNDDUCOLHGT-BJKOFHAPSA-N 422.492 4.751 0 40 HJAB COCCn1c(SCc2cccc3cccnc23)nc2sc(C)c(C)c2c1=O 11383678 UNINBGKLMWNGPI-UHFFFAOYSA-N 411.552 4.562 0 40 HJAB CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@H](c1ccc(OC)cc1OC)CC3=O 12296400 OZMCKIQIRHEUTO-IBGZPJMESA-N 408.450 4.778 0 40 HJAB biogenic COc1cc(Cl)c(C)cc1NC(=O)CN(C)[C@@H](C)c1nc2ccccc2s1 12980668 NEDFZQPQVZLNST-ZDUSSCGKSA-N 403.935 4.898 0 40 HJAB CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O 13041828 AACXFLUYAOZLFJ-VWLOTQADSA-N 422.525 4.553 0 40 HJAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)Nc1ccccc1 13513291 MRCHADFEXLJXKB-UHFFFAOYSA-N 421.913 4.714 0 40 HJAB CC[C@H](c1ccccc1)c1nn2c(-c3cncc(Br)c3)nnc2s1 13688726 WTYQWHCWENSBPB-CQSZACIVSA-N 400.305 4.552 0 40 HJAB COc1ccc(NC(=O)NCCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 14105347 RBJQREJJIONIEF-UHFFFAOYSA-N 405.454 4.638 0 40 HJAB CCOc1ccc(Nc2nnc(SCCC(=O)Nc3cccc(F)c3)s2)cc1 15554428 FMOPOWZVICRHCD-UHFFFAOYSA-N 418.519 4.940 0 40 HJAB O=C(COc1ccc(-c2ccccc2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 15564965 MHBGBIZRMABFLR-QHCPKHFHSA-N 415.489 4.867 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2cccc(Br)c2)c1 15828003 VUKNSIWSDGDOBY-BLRBJFNZSA-N 416.315 4.843 0 40 HJAB O=C(N1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1)C12CC3CC(CC(C3)C1)C2 19345972 WALAHCADDFMUTC-FBXSJCODSA-N 414.933 4.628 0 40 HJAB COc1ccccc1OCCn1c(=N)n(Cc2ccc(Cl)cc2)c2ccccc21 19900349 CMCLUFPCGXSXFP-UHFFFAOYSA-N 407.901 4.712 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 21623887 DQVCXTIGXBPCNM-FQEVSTJZSA-N 422.554 4.679 0 40 HJAB O=C(c1cc2ccccc2o1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 21687443 SJYKUDXAHLANCD-UHFFFAOYSA-N 421.497 4.653 0 40 HJAB CC(C)CCOc1ccc(-c2ccnc3nc(N4CCC(C)CC4)[nH]c(=O)c23)cc1 22606953 BEWNOUGHUDSDTF-UHFFFAOYSA-N 406.530 4.646 0 40 HJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)OCc2noc(-c3ccsc3)n2)c1 25607355 PLQVDGNUWKVMBT-UHFFFAOYSA-N 401.444 4.502 0 40 HJAB CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nccn2-c2cc(C)ccc2C)cc1 26047618 KYELGAWBJZGPSO-QGZVFWFLSA-N 407.539 4.661 0 40 HJAB O=C(CCSCc1coc(-c2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCO2 27194317 DHKDACBPPYDYMM-UHFFFAOYSA-N 416.886 4.986 0 40 HJAB CC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 28043696 DXNRKQHYFZASRQ-UHFFFAOYSA-N 421.868 4.762 0 40 HJAB CCc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(F)cc3)c3ccccc23)cc1 28535438 KDNGDALBSDZSGU-UHFFFAOYSA-N 401.441 4.866 0 40 HJAB Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2cc(Cl)sc2Cl)n1 31535236 ANVWVTHOYIYPKA-UHFFFAOYSA-N 402.328 4.658 0 40 HJAB CC(C)Cc1csc2c1c1nc(-c3ccco3)nn1c(=O)n2Cc1ccccc1 32074601 TWFJCQZJLSQIFQ-UHFFFAOYSA-N 404.495 4.613 0 40 HJAB O=c1oc2cc(Br)ccc2n1Cc1coc(-c2cccc(Cl)c2)n1 32923740 SUMZDIHTRAGEGQ-UHFFFAOYSA-N 405.635 4.714 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)N[C@H](c2ccccc2F)c2nccn2C)ccc1C(C)C 48354124 IFJAOSVAEFTBBH-HTAPYJJXSA-N 409.505 4.664 0 40 HJAB Cn1c2c(sc1=O)[C@@H](c1c(F)cccc1Cl)CC(=O)N2c1ccc(F)cc1 49544093 DPTZRIAWYASWGZ-GFCCVEGCSA-N 406.841 4.579 0 40 HJAB O=C(NCc1nc(-c2cccs2)no1)c1ccc(C2SCCCS2)cc1 65778414 CLRDSWBJLNXBOU-UHFFFAOYSA-N 403.554 4.597 0 40 HJAB COc1cccc(-n2c(SCc3cc(F)ccc3F)nc3ccccc3c2=O)c1 67259238 DLUJKKBYXCNSHB-UHFFFAOYSA-N 410.445 4.965 0 40 HJAB C[C@@H]1CCN(C(=O)CNc2cc3c(cc2Cl)OCCCO3)c2ccccc2S1 71795945 AUIJVWFSLYILGN-CQSZACIVSA-N 418.946 4.831 0 40 HJAB OCCN(Cc1cccnc1)c1nc(C2CCCCC2)nc2sc3c(c12)CCC3 72301713 UGFGFVXDNDIBSH-UHFFFAOYSA-N 408.571 4.622 0 40 HJAB O=C(Nc1ccc(N[C@H]2CCN(c3ccccc3F)C2=O)cc1)c1ccc(Cl)cc1 79028112 ICASDKYXQSWJCN-FQEVSTJZSA-N 423.875 4.949 0 40 HJAB COC(=O)CC[C@@H](C)[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[C@]12C 95837066 BWDRDVHYVJQWBO-JRJWGDGBSA-N 406.607 4.566 0 40 HJAB CSc1ccc(/C=C/C(=O)Nc2ccc3c(c2)C(=O)N2CCCC[C@@H]2CCO3)cc1 96120459 ZSJRCKTUJAOYDQ-LKQLOZHYSA-N 422.550 4.838 0 40 HJAB CC(C)Oc1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccc(F)cc3)C4)n2)cc1 97086869 PMBHCPSBECDUBK-FQEVSTJZSA-N 420.444 4.798 0 40 HJAB COc1ccc(C2=C[C@@H](c3ccc(OCc4ccccc4)cc3)n3ncnc3N2)cc1 101161417 IWTMHMAQSZYIPE-DEOSSOPVSA-N 410.477 4.922 0 40 HJAB Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)c1 102714658 CZNJUCWEUUULRC-YPAWHYETSA-N 418.880 4.700 0 40 HJAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccc(Cl)c3)C2=O)cc1 102731160 WNDKNSZFOUQZQR-FDFHNCONSA-N 418.880 4.700 0 40 HJAB Cc1cc(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)n(C)n1 106086524 KLXDRUATEIIGHK-UHFFFAOYSA-N 403.269 4.540 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c(C)c1 222537703 IPPONAFAAJVHPL-LJQANCHMSA-N 422.550 4.620 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 223045856 BVHAGQMRJIXWIO-FQEVSTJZSA-N 412.599 4.729 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 223589601 FNFBMKBTDHKTKA-HXUWFJFHSA-N 402.538 4.634 0 40 HJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 224532434 LETUTUHUBRZUGF-UHFFFAOYSA-N 414.914 4.630 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 224545500 PNXFEMBKIDANEK-HSZRJFAPSA-N 424.585 4.570 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 224848190 DNUITYXPWMKPCM-HNNXBMFYSA-N 422.953 4.515 0 40 HJAB C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCc1ccccc1 224980782 FGLSAPJNDIAOLZ-OAQYLSRUSA-N 406.570 4.528 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 225193539 UTTPIMDTCNHMTO-NRFANRHFSA-N 418.940 4.664 0 40 HJAB CCCOc1ccccc1CCCNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 225197786 RTZFOIBSFYGFGJ-UHFFFAOYSA-N 419.587 4.827 0 40 HJAB O=C1CCCN1c1cccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1 225811073 SWXQKWCUDWXPTG-UHFFFAOYSA-N 411.546 4.751 0 40 HJAB C[C@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NC3CCCC3)n2)C1 226006086 NXNKTMXEAFIJIJ-INIZCTEOSA-N 411.575 4.734 0 40 HJAB COc1ccccc1CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257249908 JKFOIUREBYRRSV-HXUWFJFHSA-N 410.901 4.834 0 40 HJAB CCNc1nc(C)c(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)s1 257345085 ZZXDSPJLGFVRDP-QGZVFWFLSA-N 414.506 4.579 0 40 HJAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1Cl 408665089 TWTJVJFZCSFDSH-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1 408701240 UVQDETOERGOLLB-UHFFFAOYSA-N 405.516 4.576 0 40 HJAB CCOC(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)NC2CCCCC2)c1C 409122022 YEQZNMUMQZVVMV-UHFFFAOYSA-N 414.527 4.548 0 40 HJAB O=C(O)Cn1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c2ccccc21 409124282 AZWDWSGRUWHTLH-MFOYZWKCSA-N 412.854 4.620 0 40 HJAB O=C(Nc1cn[nH]c1)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 510641137 OVSIWVBIELRRJS-UHFFFAOYSA-N 401.304 4.504 0 40 HJAB O=C(Nc1cccnc1Cl)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12 799069 KIOLNMHVGAQKDH-UHFFFAOYSA-N 417.778 4.716 0 40 HJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OCC)C1c1ccccc1 866197 WMAHDMXTJVMTKJ-UHFFFAOYSA-N 405.494 4.965 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 874274 QMSZRRBEUYSGAC-LBPRGKRZSA-N 411.552 4.750 0 40 HJAB COc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O 1353106 XFQJLSKXEJFBIO-UHFFFAOYSA-N 417.465 4.672 0 40 HJAB O=C(Oc1ccc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1)c1ccccc1 2190290 GSUQLRBFEZORCY-FQEVSTJZSA-N 404.491 4.700 0 40 HJAB COc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 2416916 PPXPAVHLJANHNA-QFIPXVFZSA-N 415.445 4.757 0 40 HJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1cccc(F)c1 2690288 FVFPCCNZBLMROT-UHFFFAOYSA-N 419.427 4.958 0 40 HJAB CC(=O)Nc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1 3245837 WWYKMKDUYSOLKO-UHFFFAOYSA-N 418.474 4.631 0 40 HJAB COc1ccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1OC 3289604 UEGMKNXOVSWLTG-UHFFFAOYSA-N 405.479 4.870 0 40 HJAB COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccc(Cl)s3)nc12 4478817 LROKOTWXZOSXLP-UHFFFAOYSA-N 409.964 4.537 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-n2cccc2)cc1 4586092 GNEYIYMXWGMRQJ-UHFFFAOYSA-N 417.538 4.660 0 40 HJAB CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccs1 4671161 JGAKPWFIJFLSCM-UHFFFAOYSA-N 403.525 4.895 0 40 HJAB Cc1cccc(C)c1OCCn1c([C@@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 4910822 RBGUSUGYPMQUFY-LJQANCHMSA-N 405.542 4.847 0 40 HJAB Cc1ccc(C(=O)N(Cc2cccnc2)c2nc3cc4c(cc3s2)OCCO4)cc1 5142252 RGOBYPJEVZVQHF-UHFFFAOYSA-N 417.490 4.618 0 40 HJAB CCC(CC)C(=O)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCS(=O)(=O)C1 5488452 GJEAEXMLTWQNLX-SFHVURJKSA-N 423.962 4.552 0 40 HJAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccccc1N1CCCC1 6654412 OUMIVPNHLGFMGB-UHFFFAOYSA-N 402.494 4.883 0 40 HJAB CSc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 6752793 OZHNGIFRLFWJRW-QFIPXVFZSA-N 417.490 4.843 0 40 HJAB O=c1c2cccnc2nc(SCc2ccc(Cl)cc2)n1Cc1ccc(F)cc1 6805018 GXFIYFNIJXIAAC-UHFFFAOYSA-N 411.889 4.925 0 40 HJAB Cc1ccc(-c2noc(CN(C(=O)c3ccccc3Br)C(C)C)n2)cc1 6811173 LKXVRDLVLVCHFD-UHFFFAOYSA-N 414.303 4.858 0 40 HJAB CCOc1ccc2oc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)c(C)c2c1 8075457 ASJUZBZWHNLKGE-NSHDSACASA-N 412.511 4.677 0 40 HJAB Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1 8371569 CSMMNFXKSXSYBK-MHWRWJLKSA-N 402.928 4.503 0 40 HJAB Cc1cccc(-n2c(-c3ccccc3)nn(CC(=O)NC3CCCCC3)c2=S)c1 8415035 YSYFNAMJNOIBKX-UHFFFAOYSA-N 406.555 4.828 0 40 HJAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)Nc4ccc(CCO)cc4)c(C)c3cc12 8511439 ICJRPWGPBSFQEE-UHFFFAOYSA-N 419.477 4.571 0 40 HJAB biogenic Cc1sc2nc(COC(=O)c3ccc(-c4ccc(O)cc4)cc3)nc(N)c2c1C 8726709 INSJHRHLSPFFBR-UHFFFAOYSA-N 405.479 4.620 0 40 HJAB O=C(Nc1ccc(Br)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 9063277 NVJCQPZVLOWQNK-UHFFFAOYSA-N 407.739 4.953 0 40 HJAB O=S(=O)(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1C(F)(F)F 9365551 KHIGWUFGDZZFKO-UHFFFAOYSA-N 417.412 4.845 0 40 HJAB Cc1nc(-c2ccc(CNC(=O)c3cc(Cl)c4c(c3)OCCCO4)s2)cs1 9871553 JZASXWDJPDELPI-UHFFFAOYSA-N 420.943 4.925 0 40 HJAB COCCn1c(SCc2cccc(Br)c2)nnc1-c1ccccc1 12351221 JZTWLJPIXJYXPP-UHFFFAOYSA-N 404.333 4.646 0 40 HJAB COc1ccc(-c2nc(CC(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)cs2)cc1 12390973 QZUOYEJTACRCRB-UHFFFAOYSA-N 421.497 4.567 0 40 HJAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC[C@@H](C)C3)c2c1 12437900 BURXHQCKGIOXRQ-QGZVFWFLSA-N 410.539 4.621 0 40 HJAB CC[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Br)cc1 12928513 PVLUMFVDKXHKLY-SFHVURJKSA-N 401.304 4.679 0 40 HJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(Cl)c(C)c1 13568044 XLCGVJQWZDWJGH-UHFFFAOYSA-N 423.856 4.878 0 40 HJAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1c(F)cccc1Cl 13694931 ORUMBIQCASSOAG-UHFFFAOYSA-N 400.862 4.996 0 40 HJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 13997877 SRRWCBFPVLYVGC-UHFFFAOYSA-N 411.552 4.913 0 40 HJAB O=C([C@H](Sc1nnc(NCc2ccccc2)s1)c1ccccc1)N1CCCCC1 14085170 SZNHPUPMKZJIIQ-LJQANCHMSA-N 424.595 4.996 0 40 HJAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 14404695 XPLAWFNADFYKOT-UHFFFAOYSA-N 403.269 4.838 0 40 HJAB CCOc1ccccc1-c1nnc(NC(=O)c2cc(-c3ccc(F)cc3)no2)s1 19656051 BOPHVIFDGSEVMO-UHFFFAOYSA-N 410.430 4.650 0 40 HJAB CC(C)n1cc(CN2CCC(c3ccc(C(=O)N(C)C)cn3)CC2)c2ccccc21 19705834 UXUGGGXIBNIGAP-UHFFFAOYSA-N 404.558 4.699 0 40 HJAB CCOC(=O)c1c(NC(=O)CSCc2cccc(Cl)c2)sc2c1CCC2 20242017 UFVYJEIHYRQNNZ-UHFFFAOYSA-N 409.960 4.939 0 40 HJAB COc1ccc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)cc1OC 22239270 WNIBCUUQWNDVTO-UHFFFAOYSA-N 407.401 4.607 0 40 HJAB O=C(CCCc1nc2ccccc2s1)Nc1nc(CN2CCCCC2)cs1 22289560 YATTZZQABKUAOG-UHFFFAOYSA-N 400.573 4.700 0 40 HJAB COc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 22504866 VBASBXLNMIABSF-UHFFFAOYSA-N 401.466 4.932 0 40 HJAB O=C(c1csc(-c2ccsc2)n1)N1CCN(Cc2cccc3ccccc23)CC1 24097034 XEQDVKWLJFYIMO-UHFFFAOYSA-N 419.575 4.983 0 40 HJAB CCOc1cc(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)ccc1OCC(C)C 25162710 CUUMABCJDXBRRI-UHFFFAOYSA-N 412.530 4.854 0 40 HJAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29462033 DJTAEHRXGPHBPV-UHFFFAOYSA-N 416.408 4.806 0 40 HJAB O=C(CCc1nnc(-c2ccsc2)o1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 29704456 VCVZDLNXMRFABW-OAQYLSRUSA-N 415.518 4.905 0 40 HJAB COc1ccc(Cc2nc(-c3cccc(NC(=O)Cc4cccs4)c3)no2)cc1 32647480 KWXOVEMQRUVLLL-UHFFFAOYSA-N 405.479 4.579 0 40 HJAB O=C(Nc1cccc(-n2cccn2)c1)c1c(-n2cccc2)sc2c1CCSC2 32925852 VMVQVBVWWQHUKT-UHFFFAOYSA-N 406.536 4.766 0 40 HJAB COc1ccc(-c2noc(CCCC(=O)Nc3nc(-c4ccccc4)cs3)n2)cc1 33000087 VRHDSKFSLKAUCK-UHFFFAOYSA-N 420.494 4.830 0 40 HJAB FC(F)(F)c1nc(NCc2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2n1 35315019 LUAIARQSYQPJGM-UHFFFAOYSA-N 418.810 4.554 0 40 HJAB Cc1ccccc1C(=O)Nc1cnc(C)n1-c1nc(-c2ccc3c(c2)OCO3)cs1 41124330 WAMIKBJJNYCBRP-UHFFFAOYSA-N 418.478 4.594 0 40 HJAB COc1ccc([C@H](CC(C)C)NC(=O)CSc2ccc(OC)c(OC)c2)cc1 44884489 OLZITXCSJWGSDN-IBGZPJMESA-N 403.544 4.708 0 40 HJAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2c(F)cccc2Cl)CC1 44933038 ONCXJDCTTPHSQZ-JOCHJYFZSA-N 400.925 4.885 0 40 HJAB Oc1ccccc1N1CCN(Cc2cc(-c3ccc(Cl)cc3Cl)no2)CC1 57386108 LUKZQAKHNXMBHC-UHFFFAOYSA-N 404.297 4.676 0 40 HJAB CCN(CCCNCc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1 57761906 WOEAMYYAMKYEMO-UHFFFAOYSA-N 418.463 4.757 0 40 HJAB CCOc1ccc(-c2cc3c(SCC(=O)N4CCCC[C@@H]4CC)nccn3n2)cc1 67290334 MSGGOPDGTJGXFJ-SFHVURJKSA-N 424.570 4.678 0 40 HJAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1c(-c2c(F)cccc2Cl)noc1C 69782166 ICGMDIUKNKYTTB-UHFFFAOYSA-N 416.836 4.834 0 40 HJAB CCOc1ccc(NC(=O)NCC2CCN(c3nc4ccccc4s3)CC2)cc1 70931915 ZHBBZGBAVZSYQR-UHFFFAOYSA-N 410.543 4.733 0 40 HJAB Cn1ccc(C(=O)N2CCC[C@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)n1 72349919 XDXFNMIZQRDGNV-INIZCTEOSA-N 414.431 4.521 0 40 HJAB O=C(CCc1cccc(F)c1)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 100156389 JJGYGFDURQWMLT-CALCHBBNSA-N 413.518 4.960 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)O)o1 222982560 RLBYFUTVLUVFSA-NHCUHLMSSA-N 421.522 4.812 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 222983787 GZFBVEAJLJIFOR-HXUWFJFHSA-N 412.599 4.644 0 40 HJAB CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 223045452 DCUITTIKCSWMMN-RUZDIDTESA-N 404.554 4.653 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 224703570 TXCRDAWPARAICH-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1C1CCCC1 225025212 NDIBJCNWMCINAV-NHCUHLMSSA-N 423.973 4.836 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 225191838 PXMUCCHPMQNBTM-JKSUJKDBSA-N 421.368 4.868 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 225543546 WCFITJKODVSSAB-ZJSXRUAMSA-N 424.585 4.713 0 40 HJAB C[C@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)N[C@@H](C)c3ccccc3)n2)C1 225964018 PVNQKVRMBWQGDV-ZNMIVQPWSA-N 403.983 4.660 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)Nc3ccc(C)cc3C)cc2)cc1 225983777 LQQWTLGKDHWGDD-UHFFFAOYSA-N 422.550 4.618 0 40 HJAB CCOc1cc(CNc2ccccc2Cl)cc(I)c1OC 409176177 JNJKPAOTYBYLDA-UHFFFAOYSA-N 417.674 4.964 0 40 HJAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 409203039 UJCKIDFOKQJDMH-DQPIFXJKSA-N 411.479 4.857 0 40 HJAB CCN(C(=O)c1cnc(OCc2ccccc2)cn1)c1ccc(C(F)(F)F)cc1 512468778 OMRDFSDMBOFWLB-UHFFFAOYSA-N 401.388 4.741 0 40 HJAB O=C(c1ccc(Sc2ccc(Cl)cc2)cc1)N1CCS[C@@H]2COCC[C@H]21 540214745 HNHYINBBUMMWNG-RTBURBONSA-N 405.972 4.838 0 40 HJAB CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1 870529 KLDXTEQXASFNGL-UHFFFAOYSA-N 406.433 4.715 0 40 HJAB CC(C)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 946461 LBOSUKSMOKHUMU-UHFFFAOYSA-N 403.228 4.909 0 40 HJAB COc1ccc(S(=O)(=O)Cc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 1388652 INUKOENDCBBJJG-UHFFFAOYSA-N 406.459 4.646 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)c(=O)n(Cc2ccccc2)c1 1400070 YTUOBGYRSLJINN-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB CC[C@H](COC(=O)Nc1ccccc1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 2266334 OEOUKJYIXQKSIE-IEBWSBKVSA-N 404.919 4.941 0 40 HJAB O=C(CSc1nnc(-c2cccs2)o1)NCCc1ccc(Cl)cc1Cl 2620031 ZAMCSSABGKSAGS-UHFFFAOYSA-N 414.339 4.556 0 40 HJAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 2656106 WFPBKLIWTWKFSI-INIZCTEOSA-N 410.518 4.567 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCCCC2 2737878 WYJKTVURUAEPEH-UHFFFAOYSA-N 401.484 4.565 0 40 HJAB CCCCOc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3OC)s2)cc1 3227457 CONKDDFSRCVYKY-UHFFFAOYSA-N 413.499 4.654 0 40 HJAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3cccc(OC(F)F)c3)n2)cc1 3293647 BMGRFCVOMPRCAG-UHFFFAOYSA-N 418.421 4.515 0 40 HJAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)NCC1CCCCC1 3358157 CYQOACVDBRCFSA-UHFFFAOYSA-N 408.523 4.817 0 40 HJAB CCOC(=O)CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 3658748 WZDGPCHZVPZIBU-UHFFFAOYSA-N 419.506 4.751 0 40 HJAB CCCCNC(=S)N(Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 4132667 QLVUIOOGMZZLNF-UHFFFAOYSA-N 407.583 4.822 0 40 HJAB CCCCc1ccc(NC(=O)CSc2nnc(NC(=O)CC(C)C)s2)cc1 4328332 OPCBCNWBDHAHFN-UHFFFAOYSA-N 406.577 4.596 0 40 HJAB Cc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc4ncsc4c3)nc12 4359717 UBVYNRBBMGZZBQ-UHFFFAOYSA-N 410.568 4.813 0 40 HJAB CC[C@H](C)OC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 5156573 KJXQVXZGKLMETO-ZDUSSCGKSA-N 408.889 4.824 0 40 HJAB CC(C)[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCCO2 5407900 XHWBTKWQHDGJAQ-NRFANRHFSA-N 407.432 4.923 0 40 HJAB CCOc1ccccc1-c1nc(C(=O)NC[C@@H]2CCCO2)cc2c1[nH]c1ccccc12 5907530 YBWUNJJLFXHCLN-INIZCTEOSA-N 415.493 4.691 0 40 HJAB biogenic CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)cc1 6274278 ZERXNRVSWKRGPK-WUXMJOGZSA-N 419.424 4.905 0 40 HJAB Cc1ccc(CNc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)cc1 6901715 PTTRWXDFQJZKHA-UHFFFAOYSA-N 407.477 4.737 0 40 HJAB CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)/C=C/c2ccc3ccccc3n2)cc1 6985963 BJQSNDDGIPDTFP-IWLLYFRBSA-N 416.477 4.801 0 40 HJAB O=C(CCc1nc2ccccc2[nH]c1=O)Nc1cc(Cl)ccc1Oc1ccccc1 9223552 XSAXNXNKSHXAJW-UHFFFAOYSA-N 419.868 4.940 0 40 HJAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CCc1nc2ccccc2o1 9464000 YCUXNXZVPZXGLJ-UHFFFAOYSA-N 424.888 4.901 0 40 HJAB COc1cc(NC(=O)c2cccnc2Cl)ccc1-c1cc2ccccc2oc1=O 10128916 KQZOXLXKTHGTPX-UHFFFAOYSA-N 406.825 4.769 0 40 HJAB O=C(COc1ccccc1F)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235683 URGDIEQZYHOJTD-UHFFFAOYSA-N 404.894 4.874 0 40 HJAB Cc1csc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n1 10554469 GSTOYKZKIYNJHV-CQSZACIVSA-N 400.331 4.542 0 40 HJAB O=C(CCOc1ccccc1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 11340006 RZMRNHNPMZRMHP-UHFFFAOYSA-N 411.505 4.684 0 40 HJAB CCn1ncc2c(C(=O)Nc3ccc(F)c(F)c3F)cc(-c3cccs3)nc21 11370619 KUMICYUHHMMRLC-UHFFFAOYSA-N 402.401 4.849 0 40 HJAB COc1cc(OC)c(NC(=O)CSc2ncnc3sc(C)c(C)c23)cc1Cl 11601397 GCMXFXCHRZPBKX-UHFFFAOYSA-N 423.947 4.710 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(Br)cc1F 11724679 IBBAJJJLZZBHHL-UHFFFAOYSA-N 401.663 4.609 0 40 HJAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)c2cc(-c3cccs3)on2)CC1 12184388 GACIJTNSVNLJBQ-UHFFFAOYSA-N 423.519 4.748 0 40 HJAB O=C(Cc1ccc(Cl)cc1)N1CCc2[nH]c3c(Br)cccc3c2C1 12389568 MTZNOSWNGQZTOA-UHFFFAOYSA-N 403.707 4.711 0 40 HJAB Cc1ccc(C(=O)N/C(=C/c2ccc(C(C)C)cc2)C(=O)NCc2cccnc2)cc1 12447598 SKNLCKQPSUKTSC-BUVRLJJBSA-N 413.521 4.601 0 40 HJAB O=C(COc1cccc(Oc2ccccn2)c1)Nc1ccc(OCC(F)(F)F)cc1 12526697 MPQBASIRMYWAQG-UHFFFAOYSA-N 418.371 4.833 0 40 HJAB CCOc1ccccc1CCCNC(=O)CSCc1ccccc1Br 13613326 WEYOJHFAUQZGLY-UHFFFAOYSA-N 422.388 4.830 0 40 HJAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)OCN(C[C@@H]1CCCO1)C3 13655276 VKNDZKDBMACSKF-KRWDZBQOSA-N 411.885 4.753 0 40 HJAB biogenic CC(=O)Nc1nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2s1 13734252 VZRNRSXLVNMAQZ-UHFFFAOYSA-N 408.310 4.534 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)c2ccccc2)cc1 15281076 NUWGLQPCYYOMDL-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cccc(C)c1 16959490 MDOBXQSZUDDEAN-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB CC(C)C(=O)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19085516 PMAGCGCPEWKASA-GOSISDBHSA-N 419.504 4.783 0 40 HJAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)CCC2CCCC2)cc(N(C)C)n1 19240851 MEBAWJDKWCXDBJ-QFIPXVFZSA-N 419.573 4.703 0 40 HJAB COc1ccc(CN2CCC(c3noc4nc(C)cc(C(F)(F)F)c34)CC2)cc1 19569121 KNGZMASULAYUPQ-UHFFFAOYSA-N 405.420 4.938 0 40 HJAB Cc1cccc(-c2noc([C@@H](C)NC(=O)Cc3c(C)[nH]c4c(C)cc(C)cc34)n2)c1 19664244 XJQAEGOHLYRNRP-QGZVFWFLSA-N 402.498 4.871 0 40 HJAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20106866 DDBZKAQAZOEGFK-LJQANCHMSA-N 407.558 4.701 0 40 HJAB COc1ccccc1N1CCN(Cc2ccc(C(=O)Nc3ccccc3C)cc2)CC1 20241839 KIBPPHKTAZYZPV-UHFFFAOYSA-N 415.537 4.578 0 40 HJAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)CC3 20987659 HARPGBOOZWPRSU-SDNWHVSQSA-N 418.836 4.952 0 40 HJAB O=C(Nc1nc2ccccc2s1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 22490721 PHVGFPZKHVOMNZ-UHFFFAOYSA-N 415.522 4.608 0 40 HJAB C[C@@H](NC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 22877292 CHKYCDMMTAVLLR-CYBMUJFWSA-N 406.313 4.681 0 40 HJAB CCN(Cc1cccc(F)c1)C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 24984109 BNXNLFAXQXSTDY-JOCHJYFZSA-N 400.494 4.916 0 40 HJAB O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCc1nnc2ccccn12 26504282 HDHDGBBPUGVHAR-JOCHJYFZSA-N 422.941 4.522 0 40 HJAB Cc1ccsc1/C=C1\SC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O 33759096 XHWHKSWCBKZUJR-WQRHYEAKSA-N 408.504 4.885 0 40 HJAB CCc1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 38835332 NDWKQUBUHHXDBX-UHFFFAOYSA-N 401.348 4.862 0 40 HJAB Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3C)n3c2nc2ccccc23)cc1 40372445 JBZVQVZCZMUJQT-QHCPKHFHSA-N 424.504 4.770 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 44911879 RCLIIDVIILXTPK-UHFFFAOYSA-N 414.933 4.676 0 40 HJAB Cc1ccc(F)cc1NC(=O)Cn1cc(-c2ccccc2)c2ncn(C(C)C)c(=O)c21 65113624 ABXVJIASXNRJMT-UHFFFAOYSA-N 418.472 4.532 0 40 HJAB CN(C(=O)c1cccc(NC(=O)C2CC2)c1)c1ccc(Br)cc1Cl 65865419 ARZBRBRUBAWXJO-UHFFFAOYSA-N 407.695 4.728 0 40 HJAB Cc1cc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)c(C)n1C1CC1 65936206 JYDXKYVOZLXMDO-UHFFFAOYSA-N 417.347 4.638 0 40 HJAB CC(C)OCCCn1c(SCc2ccc(F)c(F)c2)nc2ccccc2c1=O 67259140 PSSPHWJPXARKHE-UHFFFAOYSA-N 404.482 4.782 0 40 HJAB CN1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 71325850 JRKXZSDHWWDBMI-WPWBMXPQSA-N 416.908 4.716 0 40 HJAB O=C(Nc1nccs1)c1cccc([C@H]2CCCN2Cc2cccc3ncccc23)n1 72354392 OBWNSNGPWYROSM-OAQYLSRUSA-N 415.522 4.676 0 40 HJAB O=C(CCC(=O)N(Cc1cccc(O)c1)CC1CC1)c1ccc(Br)cc1 84374501 KCXAOPMIOAYBKO-UHFFFAOYSA-N 416.315 4.556 0 40 HJAB Cc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC(O)(C(F)(F)F)CC2)c1 96003597 XYZPTBMTKANPGI-UHFFFAOYSA-N 415.459 4.737 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)c1 96037504 XEBVNUUWXNEQQE-DEOSSOPVSA-N 402.542 4.819 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(F)cc2Cl)S1 96118441 OBCGQQQDKNVMSQ-WBMJQRKESA-N 409.914 4.985 0 40 HJAB CCOc1ccccc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 98072924 ONNLOIORPMBNOD-UHFFFAOYSA-N 424.238 4.667 0 40 HJAB CC(C)c1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)on1 100156271 OEHXOOQHPPVWNL-OKILXGFUSA-N 400.504 4.613 0 40 HJAB Cc1cc(C)nc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 107563167 URAIHIDLJIUAKI-UHFFFAOYSA-N 411.339 4.742 0 40 HJAB CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 219684349 QWKKBXVSXQZECB-MRXNPFEDSA-N 420.347 4.753 0 40 HJAB Cc1ccc(N([C@H](C)C(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1Cl 220353305 RTRQKRGQOOUDLW-OAHLLOKOSA-N 416.930 4.595 0 40 HJAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)N[C@@H](C)CC)cc1 222612523 IBZKKKWGNYFFSV-SQJMNOBHSA-N 422.613 4.946 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 223042550 QZKDXJGEKFVVFQ-QHCPKHFHSA-N 408.586 4.779 0 40 HJAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 223972558 IIRNTDTVKWQDDN-HNNXBMFYSA-N 414.914 4.632 0 40 HJAB CCc1ccc(OCC(=O)N[C@H](CC)c2ccc(OC)c(C)c2)c(Br)c1 224437350 CDIMDZQGFGIGGM-GOSISDBHSA-N 420.347 4.975 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 224477043 AFHPDHAKFKIZPM-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB CC(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 224485516 OIRHAHBHKHZDHH-UHFFFAOYSA-N 422.550 4.565 0 40 HJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1CN1CCCCC1 224832199 LGPJZRKPYRGAQG-HXUWFJFHSA-N 402.538 4.909 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 224870080 XGMHYGNPARRQDA-QFIPXVFZSA-N 419.525 4.740 0 40 HJAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)c1cc(Br)ccc1Cl 225075231 UGCDRZAFXCTTOU-CYBMUJFWSA-N 407.739 4.674 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 225596431 WGZZBFZQWOQUCF-MRXNPFEDSA-N 421.368 4.868 0 40 HJAB COc1ccc(Br)c(C(=O)NCc2cncc(-c3cccs3)c2)c1 225664631 BQKJJIOSMIVUMB-UHFFFAOYSA-N 403.301 4.511 0 40 HJAB Cc1cc2ccccc2n1CC(=O)N1CCCCC[C@@H]2N[C@@H](Cc3ccccc3)C[C@H]21 257240155 HSGZCDIWEDFAQN-KYPHJKQUSA-N 415.581 4.694 0 40 HJAB O=C(CCc1ccccc1)N1CCC[C@]2(CC1)CN(c1cccc(Cl)c1)C(=O)O2 257330546 XOVIXYAPWWUMJA-QHCPKHFHSA-N 412.917 4.681 0 40 HJAB COc1ccc(NC(=O)COc2ccc(CNc3ccc(C)c(C)c3)cc2OC)cc1 408558385 UHAQTRPJLAXGCC-UHFFFAOYSA-N 420.509 4.950 0 40 HJAB Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc1C 408736703 FUXJCJAVWOEWCD-JOCHJYFZSA-N 407.514 4.717 0 40 HJAB Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3OCc3cccc(F)c3)C2=O)cc1 409242533 VOJHWQQAFZPMRN-HYARGMPZSA-N 416.452 4.806 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 409249984 KQRYODJBCGTPEY-UHFFFAOYSA-N 402.560 4.647 0 40 HJAB Cc1ccc(C)c(N(C)C(=O)c2cncc(C(=O)N(C)c3cc(C)ccc3C)c2)c1 615082838 MCDDMOZOBSSYID-UHFFFAOYSA-N 401.510 4.868 0 40 HJAB Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@H](c1ccccc1F)[C@H](C)O 1640726323 UOXJPFQVEIYGLE-VOJFVSQTSA-N 422.378 4.660 0 40 HJAB C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)c1cc2ccccc2c(O)n1 1648678718 HOFZNBVDEAZNDT-XJKSGUPXSA-N 411.299 4.721 0 40 HJAB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)Nc2c(F)cccc2F)C1 1889201592 RAYPDVJAGAHTJH-LBPRGKRZSA-N 414.378 4.511 0 40 HJAB CCOc1ccc(N[C@@H](NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2)cc1 1450991 FFWPABULZGFBMT-QFIPXVFZSA-N 408.885 4.790 0 40 HJAB Clc1ccc2c(c1)C1=C([C@H](c3cccnc3)n3ncnc3N1)[C@H](c1cccs1)O2 2232161 SJVUTIAVXGJGJS-PMACEKPBSA-N 419.897 4.948 0 40 HJAB Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)C[C@@H](C(C)(C)C)CC4 2286051 LHJYJBALTBQIAY-INIZCTEOSA-N 406.555 4.613 0 40 HJAB COc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3OC)no2)c1 2404931 CUIKGMDDCAWBOW-UHFFFAOYSA-N 401.422 4.673 0 40 HJAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 2723028 ZOSGBYMULQIZHG-UHFFFAOYSA-N 407.417 4.810 0 40 HJAB CCc1c(C)sc2ncn3nc(CCn4nc(C(F)(F)F)cc4C4CC4)nc3c12 2789883 IMQKZEJHNBMZRR-UHFFFAOYSA-N 420.464 4.545 0 40 HJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1cc(Cl)cc(Cl)c1 3275858 VDDLRDFVYNWPPZ-UHFFFAOYSA-N 415.276 4.826 0 40 HJAB O=C(Nc1nc2c(s1)CCCC2)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 4248116 YKIQVKFSDXTAAR-LJQANCHMSA-N 404.491 4.728 0 40 HJAB Cc1ccc(Cn2c(=O)n(-c3ccc(C)c(C)c3)c(=O)c3c4c(sc32)CCC4)cc1 4877787 CSWBRBSXAWQECD-UHFFFAOYSA-N 416.546 4.676 0 40 HJAB Cc1cc(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)c(C)n1Cc1ccco1 5381837 NEBGUIRIZWALIG-UHFFFAOYSA-N 418.493 4.976 0 40 HJAB CCOc1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)cc(Br)c1O 5938052 VJNUOROIWULDKM-BQYQJAHWSA-N 414.255 4.970 0 40 HJAB O=C(Cc1c(F)cccc1Cl)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 6968545 ILMMFQZZRIAVSL-UHFFFAOYSA-N 404.850 4.555 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1[C@@H](C)Oc1ccccc1 8090238 UIEFBTSFUJXIKY-QGZVFWFLSA-N 410.543 4.786 0 40 HJAB COc1ccccc1N1C(=O)S[C@H](Cc2cc(Cl)cc(Cl)c2OC)C1=O 8169265 NOPJPHLKXKPFLT-OAHLLOKOSA-N 412.294 4.822 0 40 HJAB CCOc1cc(-c2cc(=O)n3c(n2)CCCCC3)ccc1OC(=O)c1ccc(C)cc1 8254289 DLWWCJOBGRPMPD-UHFFFAOYSA-N 418.493 4.563 0 40 HJAB Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2cc(C)nn2-c2ccccc2)n1 8327871 SCZLENYGRNLTOM-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB COc1ccccc1-c1nnc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)o1 8428337 SVJRNXIWHWISTF-IBGZPJMESA-N 409.511 4.591 0 40 HJAB O=C(CNc1ccc(Br)cc1)Nc1ccccc1C(=O)Nc1ccccc1 8704531 YDDNWPJABNOFSD-UHFFFAOYSA-N 424.298 4.752 0 40 HJAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCCOc1ccc(Cl)cc1Cl 9095313 CVVPOKMWAVLRBZ-UHFFFAOYSA-N 420.296 4.861 0 40 HJAB COc1ccc(CC(=O)Nc2nn(CC(C)C)c3nc4cc(C)ccc4cc23)cc1 9350864 WYDNFGWMLDKZEB-UHFFFAOYSA-N 402.498 4.739 0 40 HJAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccc(Cl)cn1 9647123 CFTUMNAWNJFPQU-VIFPVBQESA-N 412.824 4.816 0 40 HJAB O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1ccccc1Oc1ccccc1 9667421 DFBXDXTVUXGQIN-LJQANCHMSA-N 416.477 4.640 0 40 HJAB Cc1sc2nc([C@@H](C)Sc3nnc(-c4c[nH]c5ccccc45)o3)[nH]c(=O)c2c1C 9956962 XTZQICCFPJQJJE-LLVKDONJSA-N 423.523 4.986 0 40 HJAB COc1cc(N[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CCCC1=O 10184751 WVMQBWXUIBGAIG-GFCCVEGCSA-N 422.312 4.568 0 40 HJAB CCOc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(Br)cc32)cc1 12707623 POIGTYVBTJZHMF-UHFFFAOYSA-N 421.298 4.677 0 40 HJAB COc1ccc2c(c1)CCCN2S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 12732902 RIWAVKODGQJZIN-UHFFFAOYSA-N 405.825 4.509 0 40 HJAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccco4)C3)cc2)c1 12890946 UMMAGYVJYGWXOC-SFHVURJKSA-N 404.466 4.871 0 40 HJAB COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c(OC)c1OC 12918400 SUDBNVONHICSBG-UHFFFAOYSA-N 424.478 4.512 0 40 HJAB COC[C@H](C)n1c(SCCCOc2ccc(Cl)cc2)nc2ccccc2c1=O 12925742 QYLJHIWIBFHVBU-HNNXBMFYSA-N 418.946 4.819 0 40 HJAB O=C(C[C@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1cccs1 16524501 PBKZHDQECYTBAE-OAQYLSRUSA-N 415.873 4.548 0 40 HJAB O=C(Cn1nc(-c2cccnc2)oc1=S)Nc1cc(C(F)(F)F)ccc1Cl 16768754 YXYVRJBDCOOBHN-UHFFFAOYSA-N 414.796 4.578 0 40 HJAB C[C@@H]1CCN(C(=O)c2ccccc2I)c2ccccc2S1 17525249 SMXBMPRRTQJWED-GFCCVEGCSA-N 409.292 4.822 0 40 HJAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 19236819 CYNZVDQDPCZVBW-PXDATVDWSA-N 417.528 4.912 0 40 HJAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN4C4CCCC4)nc32)cc1 19695871 YDGZLFMAPJXDAY-QFIPXVFZSA-N 404.558 4.652 0 40 HJAB Nc1c(Cl)c(Cl)nc(C(=O)OCc2cc(Cl)cc3c2OCOC3)c1Cl 22056979 DTNAJVDNONKAOC-UHFFFAOYSA-N 424.067 4.501 0 40 HJAB CCn1c(SCc2ccc(OC)cc2)nnc(N(c2ccccc2)C(C)C)c1=O 28536994 KRHPVNCGYSJQGU-UHFFFAOYSA-N 410.543 4.506 0 40 HJAB CCN(C(=O)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)c1ccccc1OC 28628133 HDJJJIQZQYCHKV-GOSISDBHSA-N 416.783 4.572 0 40 HJAB O=C(Nc1ccc(Cn2cncn2)cc1)c1cc(-c2ccccc2)nc2ccccc12 29329677 HEDAGAUQSOFYBR-UHFFFAOYSA-N 405.461 4.794 0 40 HJAB COc1cc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c(OC)cc1Cl 30942771 FTCSHUHMYMGXQE-HNNXBMFYSA-N 402.922 4.841 0 40 HJAB O=C(Nc1nnc(C(F)(F)F)s1)c1cn(-c2ccccc2)nc1-c1cccs1 31564859 ITZWQLCANRGSJL-UHFFFAOYSA-N 421.429 4.723 0 40 HJAB O=C(NC1CCN(C2CC2)CC1)c1sc2cccc(F)c2c1COc1ccccc1 32752802 NKHZFAIOONWKIV-UHFFFAOYSA-N 424.541 4.976 0 40 HJAB COc1cccc(/C=C(/C(=O)N(C)Cc2ccc3c(c2)OCO3)c2ccccc2)c1 32907927 DUWFORHMIHZTJB-HYARGMPZSA-N 401.462 4.623 0 40 HJAB COc1ccc(NC(=O)CSCc2cc(=O)c3c(C)cc(C)cc3[nH]2)cc1Cl 33064082 QOKRSBUJGVUNCX-UHFFFAOYSA-N 416.930 4.679 0 40 HJAB CCc1sc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2CCCCC2)cc1C 40087623 HRYBAANJXLSYCS-UHFFFAOYSA-N 416.543 4.515 0 40 HJAB O=C(Nc1cccc(-n2cc[nH]c2=O)c1)c1ccccc1SCc1cccs1 40155338 HSBFFSJRJRDWNE-UHFFFAOYSA-N 407.520 4.772 0 40 HJAB CSc1ccccc1CN1CCC(CNC(=O)C2(c3ccc(F)cc3)CC2)CC1 49523451 BOZXUMCTUYBWGO-UHFFFAOYSA-N 412.574 4.608 0 40 HJAB CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 49549393 RFEHVYRMBICXCB-GFCCVEGCSA-N 413.861 4.724 0 40 HJAB Cc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1NC(=O)Cn1cccn1 57356616 YAVAFDQZYBCEFF-UHFFFAOYSA-N 410.477 4.750 0 40 HJAB Cc1cc2oc(=O)cc(CN3c4ccccc4[C@@H](C(N)=O)C[C@@H]3C)c2cc1C(C)C 65521231 NIWBEZMPSOGMPA-KKSFZXQISA-N 404.510 4.593 0 40 HJAB Cc1cccc(N2CCN(c3nccn4nc(-c5ccc(Cl)cc5)cc34)CC2)c1 67284782 FCODYTUTRXCMOO-UHFFFAOYSA-N 403.917 4.685 0 40 HJAB CC1=C[C@@H](CNC2CCN(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 72320975 YAXATQPBJPKCKR-FUDKSRODSA-N 408.634 4.952 0 40 HJAB biogenic,in-vitro Fc1ccc(CN2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)cc1 96038322 VFLNBHZCEIRSPJ-UHFFFAOYSA-N 401.489 4.992 0 40 HJAB CC(=O)S[C@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@H]12 97743354 LXMSZDCAJNLERA-VCNWLABZSA-N 416.583 4.852 0 40 HJAB O=C(CN1[C@@H]2CC[C@@H]1CC(O)(c1ccco1)C2)N(C1CCCCC1)C1CCCCC1 100127982 YZLQKHFRTNHDED-FGZHOGPDSA-N 414.590 4.588 0 40 HJAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N1[C@H](C)CCC[C@H]1C 102528155 IDPCCKQDLIQGNE-KFWWJZLASA-N 402.539 4.689 0 40 HJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)OC)c2)o1 222902600 MOVYCIVRMCUBGC-LEWJYISDSA-N 421.522 4.511 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 223045813 BVHAGQMRJIXWIO-HXUWFJFHSA-N 412.599 4.729 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(C)ccc3C)ccc2C)cc1 224056932 XODPQUZAKPXLMU-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 225054255 OXTCFVBGKNULCH-UXHICEINSA-N 412.599 4.728 0 40 HJAB O=C(O)c1ccc(OCc2cccc3ccccc23)c(I)c1 226325004 VIRIGRBSKKDVAG-UHFFFAOYSA-N 404.203 4.722 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(CN4CCOCC4)cc3)ccc21 408562586 CKOHUDAFXOAJQL-UHFFFAOYSA-N 413.521 4.899 0 40 HJAB O=C(COc1ccc(C2CCCCC2)cc1)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 408563605 PVNRSGVBNFRZJG-WIYYLYMNSA-N 424.463 4.752 0 40 HJAB Cc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1C 408620698 IWGDMAYJXDIPLN-UHFFFAOYSA-N 404.445 4.502 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)c(C)c1 408643846 RYIJXFULKGDZSJ-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)O[C@@H](C)CC)C1=O 409203264 VCBNTGDXBRUCRY-BXUJETTOSA-N 413.495 4.617 0 40 HJAB CC(=O)N1CCCCCCCN(C(=O)CCCc2ccncc2)Cc2ccccc21 643553456 WBEHHBQHCQTHSE-UHFFFAOYSA-N 407.558 4.750 0 40 HJAB O=C(c1ccc(O)cc1F)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 1627670654 XXHPHQZDCLHQSL-HSZRJFAPSA-N 424.903 4.732 0 40 HJAB COCCOC(=O)N1CCC([C@@H]2CCCCN2Cc2ccc(C(C)C)cc2)CC1 2056225477 NMYRSMJFEACQED-QHCPKHFHSA-N 402.579 4.660 0 40 HJAB O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1 1073078 QQPDMRWVSTXYRD-UHFFFAOYSA-N 418.990 4.899 0 40 HJAB Cc1sc2nc(C(C)C)n3c(SCC(=O)N4CCCCCC4)nnc3c2c1C 1336272 PSICDDJDYIWCGC-UHFFFAOYSA-N 417.604 4.574 0 40 HJAB CCCCOc1cccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)c1 1838085 BYTKVMNJIZBCAI-UHFFFAOYSA-N 403.504 4.741 0 40 HJAB Cc1cc(=O)oc2cc(OC(=O)CCCCCNC(=O)OC(C)(C)C)c(Cl)cc12 2445518 FMYNCQMDLAWYFX-UHFFFAOYSA-N 423.893 4.745 0 40 HJAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)c1Cl 2644242 ZJAXBHFXPWHIII-UHFFFAOYSA-N 408.068 4.799 0 40 HJAB CC(C)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 3350112 SCMIZJRYZWHALO-VWLOTQADSA-N 421.541 4.513 0 40 HJAB COc1ccc2c(c1OC)C(=O)N1C[C@H](c3ccc(C)o3)c3c([nH]c4ccccc34)[C@H]21 4088910 ASWRFPZKDMGSKF-MWTRTKDXSA-N 414.461 4.777 0 40 HJAB biogenic CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)c1 4517866 HQNVGXICJRBCMF-UHFFFAOYSA-N 408.504 4.619 0 40 HJAB Cc1cc(C)n2nc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)nc2n1 4523581 MHVMRPJTYMMPFI-INIZCTEOSA-N 403.511 4.527 0 40 HJAB C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 5208354 JYCYCAJJVZNFGH-MRXNPFEDSA-N 401.422 4.935 0 40 HJAB Cc1ccc(Sc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)cc1C 6086920 ILHPVLZOARKZMF-UHFFFAOYSA-N 415.518 4.803 0 40 HJAB CC(C)c1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)cc1 6752772 HUAVZAOLFRNFND-UUOWRZLLSA-N 417.509 4.630 0 40 HJAB Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)Nc2ccc(F)cc2)n1 6935625 KUYMGPOMZRAVGN-UHFFFAOYSA-N 409.486 4.821 0 40 HJAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCc1csc(C)n1 7088365 ZHWJAYJGHDVCSD-JOCHJYFZSA-N 421.522 4.768 0 40 HJAB CCN(CC)C(=O)[C@@H](Sc1nc2ccccc2c(=O)n1CC(C)C)c1ccccc1 7111171 ACFLEVHUFKSDLK-NRFANRHFSA-N 423.582 4.754 0 40 HJAB COc1cc(OC)c([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc1OC 7884589 ICQSJBYRWUGLGF-DEOSSOPVSA-N 418.493 4.522 0 40 HJAB O=C(CCNC(=O)c1ccccc1Cl)Nc1nc(-c2ccccc2Cl)cs1 8685114 APNFTSPYPXXURE-UHFFFAOYSA-N 420.321 4.876 0 40 HJAB aggregator COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nccs1)[C@H]3c1ccc(Cl)cc1 9302864 KXINSAGERXQUGW-KRWDZBQOSA-N 424.865 4.661 0 40 HJAB O=C(CSc1ncnc2sccc12)N[C@H](c1ccc(F)cc1)c1cccs1 9416231 QCCZHAIZMXTWFX-QGZVFWFLSA-N 415.540 4.890 0 40 HJAB CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccco2)cc1 9462815 OQLDLOCLHRYYNK-UHFFFAOYSA-N 402.450 4.675 0 40 HJAB Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(OC(F)(F)F)cc2)o1 9573826 BTBPCHIMHXPYKL-UHFFFAOYSA-N 416.359 4.537 0 40 HJAB O=C(Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21)NC1CCCCC1 11695951 FKNNZXVFIGDSTK-UHFFFAOYSA-N 400.482 4.807 0 40 HJAB Cc1cc(-c2cnc(SCC(=O)c3ccc(F)cc3F)nc2-c2ccco2)on1 12233144 DDWPWMWAYASPET-UHFFFAOYSA-N 413.405 4.953 0 40 HJAB Cc1nc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc1-c1nccn1C 12556589 AGAPREYQTQRVFL-UHFFFAOYSA-N 412.559 4.947 0 40 HJAB O=C(NCc1ccccc1OC(F)F)c1ccc(NC(=O)c2cccs2)cc1 12734360 KHJFBLDLKHVKOJ-UHFFFAOYSA-N 402.422 4.532 0 40 HJAB O=C(CSCc1csc(-c2ccc(F)cc2)n1)N1CCC(c2ccccc2)=N1 12813402 SJXNCMUZHFGNDA-UHFFFAOYSA-N 411.527 4.819 0 40 HJAB O=C(Nc1ccccc1)c1ccccc1O[C@H](C(=O)N1CCCC1)c1ccccc1 13165361 GCLQAIOFTPGROS-QHCPKHFHSA-N 400.478 4.681 0 40 HJAB Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 15106732 HFZQJEUZZRYAJL-HNNXBMFYSA-N 424.453 4.651 0 40 HJAB Cc1cc(C)c(C(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)c(C)c1 15934654 FOJPBOPSCUQFAI-UHFFFAOYSA-N 408.523 4.915 0 40 HJAB Cc1ccc2c(CC(=O)Nc3cc4c(cc3Br)OCCO4)coc2c1C 16008675 GLKXQICPSCIUMK-UHFFFAOYSA-N 416.271 4.765 0 40 HJAB COc1ccc(CCNc2ncc(-c3ccccn3)c(-c3ccoc3C)n2)cc1OC 19583091 LTHXAWIIZKHWJL-UHFFFAOYSA-N 416.481 4.779 0 40 HJAB Cn1nccc1CN1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19690290 VXRFISBFLUQLCQ-LJQANCHMSA-N 414.475 4.804 0 40 HJAB COCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3cccc4ccccc34)nc21 20604563 NSMGXWZXNZFMHQ-UHFFFAOYSA-N 413.449 4.858 0 40 HJAB O=C(O)[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CCC(c2nc3ccccc3o2)CC1 20739719 VJTSIJOAXDYDML-HXUWFJFHSA-N 409.873 4.968 0 40 HJAB Cc1cc(C)n2c(SCC(=O)N3c4ccccc4Sc4ccccc43)nnc2n1 20799465 LYOBTKZDBFVRSH-UHFFFAOYSA-N 419.535 4.663 0 40 HJAB CC(C)OCCCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 21556084 FMPFTHGVJQOFFF-UHFFFAOYSA-N 411.933 4.797 0 40 HJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1cccc(C)c1C 21580766 YCCJOGQPWFKDPF-UHFFFAOYSA-N 401.466 4.873 0 40 HJAB COc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1OCc1cscn1 23082261 OTYCBDCMLBSNMJ-AWEZNQCLSA-N 408.479 4.968 0 40 HJAB Cc1cc(C)cc(C(=O)NCC(=O)OCc2csc(-c3ccccc3Cl)n2)c1 23550886 WIOSZIMRTSIFHM-UHFFFAOYSA-N 414.914 4.554 0 40 HJAB O=C(c1ccc2ccccc2c1)N1CCN(Cc2csc(-c3ccco3)n2)CC1 29229853 HAOBDRRATLBOGH-UHFFFAOYSA-N 403.507 4.514 0 40 HJAB CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cccc4ccccc34)sc2C1 29568492 RHXFSFVIYGGUBT-UHFFFAOYSA-N 409.511 4.842 0 40 HJAB CCCCN(C)C[C@@H](C(C)=O)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841663 OEHWJTHJYQHSRA-RBBKRZOGSA-N 407.510 4.568 0 40 HJAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCc1noc(-c2ccsc2)n1 32908199 BFLCTDCLGIGMJQ-UHFFFAOYSA-N 405.501 4.510 0 40 HJAB O=c1c2cnc3c(-c4ccc(F)cc4)cnn3c2ccn1Cc1ccc(Cl)cc1 40396560 PGPNJQVKKJSDTN-UHFFFAOYSA-N 404.832 4.552 0 40 HJAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCC(CN2CCCCCC2)CC1 48255208 AQAHLDDQQKPLTN-UHFFFAOYSA-N 414.594 4.709 0 40 HJAB COc1ccc(CN2CCC(Nc3ncc(C(F)(F)F)cc3Cl)CC2)cc1F 48286716 YKQPFUDZADOGGQ-UHFFFAOYSA-N 417.834 4.978 0 40 HJAB Cc1cc2cc(NS(=O)(=O)C3=Cc4ccc(OC(F)F)cc4CC3)ccc2[nH]1 65068959 HMQIKWANNKTSMV-UHFFFAOYSA-N 404.438 4.807 0 40 HJAB O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 72337770 AYRYYEHYEXSHNL-YJBOKZPZSA-N 424.397 4.929 0 40 HJAB CN(C)c1ccc(C(=O)N2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)cc1 72361047 FWFZRGMOYLMJQE-FQEVSTJZSA-N 403.501 4.974 0 40 HJAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H]3c3cccc(Nc4cccc(C)n4)n3)c2c1 72375897 CFXKVZPDFSSHDX-HXUWFJFHSA-N 412.497 4.691 0 40 HJAB C[C@@H](C(=O)Nc1nc(-c2cccnc2)cs1)c1ccc(C[C@@H]2CCCC2=O)cc1 79480681 CUIGGZNWFHRQSI-QAPCUYQASA-N 405.523 4.859 0 40 HJAB FC(F)(F)Cn1c(SCc2cc(Cl)nc(Cl)c2)nnc1-c1ccncc1 84615193 BFNCPXSNFIVKCQ-UHFFFAOYSA-N 420.247 4.897 0 40 HJAB O=C(NCC1CCC(NC(=O)c2coc3ccccc23)CC1)c1coc2ccccc12 95456312 JHZUFVDKOZLGJW-UHFFFAOYSA-N 416.477 4.898 0 40 HJAB C[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)[C@@H]1C[C@@H]2CC[C@@H]1C2 101694203 HZWNNSKPSQWJKP-FAJBIJEISA-N 418.493 4.593 0 40 HJAB FC(F)Oc1ccc(-c2cs/c(=N\c3cccnc3)n2C[C@@H]2CCCO2)cc1 101700209 DHOIUFFHDUUDLB-DJUDNFEDSA-N 403.454 4.624 0 40 HJAB COc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)s2)c1 102386659 VCCIDSYUZMAVTC-SZOQZIPDSA-N 420.604 4.712 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 219615497 BQXHJPYZIGSDOG-MRXNPFEDSA-N 406.269 4.517 0 40 HJAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12 222531655 HSEFQSNCFHUYAG-KRWDZBQOSA-N 408.929 4.589 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 222785027 HIMHIFSAZFUSOD-INIZCTEOSA-N 418.990 4.764 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1C1CCCCC1 223086421 FPODIQQJFLFBDS-FGZHOGPDSA-N 403.555 4.573 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCC(C)C 223125738 COCJJAZURLHKLX-QFIPXVFZSA-N 414.977 4.852 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 225253505 PSVUVKHNBFAZSL-QFIPXVFZSA-N 414.977 4.833 0 40 HJAB Cc1ccc(SCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 225287191 QEOLIWWKHVYTTN-UHFFFAOYSA-N 413.612 4.700 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccccc2)c1 225465083 HSFKDEAYDSHDHY-XLNRJJMWSA-N 404.535 4.576 0 40 HJAB COc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)cc1Cl 225525593 KHMUJAYMDOIHNX-UYRXBGFRSA-N 410.857 4.660 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 225525753 XVPMGEVPKMEJTM-GCJKJVERSA-N 414.977 4.913 0 40 HJAB CO[C@@]1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 225636734 WYOVNAMKXAJKJT-NMMYMHLASA-N 402.579 4.864 0 40 HJAB O=C(CC(c1ccccc1)c1ccccc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 225686843 GMZPDVNXZLDQND-AREMUKBSSA-N 410.561 4.868 0 40 HJAB O=C(c1csc(-c2ccccc2)n1)N1CC[C@@H](Oc2cccc3cccnc23)C1 225705032 XEJGWGWGQQDBRG-GOSISDBHSA-N 401.491 4.652 0 40 HJAB 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]3CC[C@]12C 253506562 GRQROVWZGGDYSW-WTRGWZSOSA-N 406.607 4.566 0 40 HJAB CC(C)(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)[nH]n1 257272750 NDSHPKRPRVFNTE-GOSISDBHSA-N 412.921 4.917 0 40 HJAB O=C(COc1ccccc1Cl)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257290049 QBIYCVSTILWWPI-LJQANCHMSA-N 414.864 4.800 0 40 HJAB COc1ccccc1CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257324429 WOQKNOQRKLGMQN-LJQANCHMSA-N 424.928 4.876 0 40 HJAB O=C(c1ccc2ccccc2n1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390828935 CGKIWVHGHHKWJG-UHFFFAOYSA-N 402.420 4.535 0 40 HJAB O=C(COc1ccc(C2CCCCC2)cc1)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 408563603 PVNRSGVBNFRZJG-NQIIRXRSSA-N 424.463 4.752 0 40 HJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 408706033 TWZMJMNOPUPJRK-GOSISDBHSA-N 424.522 4.510 0 40 HJAB CC(=O)Nc1cc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)ccc1C 533015734 BBRUYPWZNBNWAO-UHFFFAOYSA-N 411.465 4.658 0 40 HJAB O=C(O)c1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1CCc1ccccc1 585266509 BCYZRTFJILVTIC-OAQYLSRUSA-N 407.901 4.955 0 40 HJAB COc1ccc(Cl)cc1NC(=O)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775978928 WCOAKWTUCZKJDN-KRWDZBQOSA-N 402.903 4.932 0 40 HJAB Cc1cc(=O)oc2cc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)cc12 689715 AVHPQCMMDYTDDP-UHFFFAOYSA-N 400.386 4.540 0 40 HJAB biogenic,in-vitro CCOC(=O)c1c(NC(=O)c2cccc(Br)c2)sc2c1CCCC2 971118 BOPSONQRRCGRNK-UHFFFAOYSA-N 408.317 4.818 0 40 HJAB Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1C 1379918 QWBFIGBPRDCFHF-QFIPXVFZSA-N 406.482 4.936 0 40 HJAB O=C(Oc1ccc2ccccc2c1Br)c1cncc(Br)c1 1505591 BNTJJWLYBKCFOU-UHFFFAOYSA-N 407.061 4.979 0 40 HJAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1cc(Cl)ccc1Cl 2195492 HUIYTOYVQTWOOA-UHFFFAOYSA-N 406.273 4.506 0 40 HJAB COc1cc(OC)c(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1Cl 2251006 VGHXJVHWZXCYNM-UHFFFAOYSA-N 406.829 4.899 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)c(Cl)c1 2447117 MAUONAXXHDFFFH-UHFFFAOYSA-N 423.929 4.817 0 40 HJAB O=C(COC(=O)c1cccc(OC(F)F)c1)Nc1ccc(Oc2ccccc2)cc1 3249896 ZMLCJXHANPSKEK-UHFFFAOYSA-N 413.376 4.876 0 40 HJAB CCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc(Br)cc2)c1C 3260327 YUUWWUMYNRRITE-UHFFFAOYSA-N 412.283 4.908 0 40 HJAB Cc1cc(C)cc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 4554806 AFHARYAZZPMULB-UHFFFAOYSA-N 406.873 4.708 0 40 HJAB Cc1cc2c(c(OS(=O)(=O)c3ccc(Cl)cc3)c1)[C@@H]1CCCC[C@H]1C(=O)O2 4746744 YOPJQBZFZYIWIZ-HZPDHXFCSA-N 406.887 4.609 0 40 HJAB COc1ccc(-c2c(NC(=O)c3ccco3)sc3ccccc3c2=O)cc1OC 5244848 HBUULZRKBLYLJB-UHFFFAOYSA-N 407.447 4.791 0 40 HJAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccccc4C(C)C)ncnc32)cc1 5533467 CIYMOTOLUZXJNH-UHFFFAOYSA-N 417.538 4.978 0 40 HJAB COc1cc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)cc(OC)c1OC 5688618 TXOJKVRQTYFFPR-UHFFFAOYSA-N 416.477 4.973 0 40 HJAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1cc2c(s1)CCCC2 5897371 DYSNVHWSSBIIRW-UHFFFAOYSA-N 423.538 4.740 0 40 HJAB C[C@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 5974232 USPNTVYYJZCREP-YYAZQSBSSA-N 421.459 4.735 0 40 HJAB Cc1cc(I)cnc1NC(=O)c1cc(Cl)ccc1Cl 6572474 OQTYZGYDXKFMHO-UHFFFAOYSA-N 407.038 4.554 0 40 HJAB O=C(COc1ccccc1Cc1ccccc1)Nc1nc(-c2ccccn2)cs1 6830954 YXWCRGUADATXKL-UHFFFAOYSA-N 401.491 4.813 0 40 HJAB CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC)cc1 7261879 PAVHAVUSYXANPS-JOCHJYFZSA-N 421.493 4.554 0 40 HJAB CCSc1nnc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)s1 7264215 HUFUEDFZDXJFHS-UHFFFAOYSA-N 413.553 4.817 0 40 HJAB C[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1cc2ccccc2o1 8133930 JLNSJYITKJQFOO-DXRVJIQQSA-N 402.494 4.562 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1C 8758970 YTKMPIPKTYNGCX-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 9073015 VVQNJAQYTJPENI-UHFFFAOYSA-N 422.478 4.523 0 40 HJAB CCc1nc2ccccc2n1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 9377159 CNAZFLRECGFNLO-INIZCTEOSA-N 404.539 4.615 0 40 HJAB CSc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 9443567 OGZIVNRCDOIZDC-QGZVFWFLSA-N 421.444 4.694 0 40 HJAB Cc1cccc(N2CCN(C(=O)CCc3ncc(-c4ccccc4Cl)o3)CC2)c1 10262485 GOTYKHOWPIHUBV-UHFFFAOYSA-N 409.917 4.585 0 40 HJAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCc2sccc2C1 10989623 VANBTRVFIDAUQB-UHFFFAOYSA-N 403.960 4.573 0 40 HJAB O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccc(F)cc1Cl 12797276 ZQPPZMXRPUEZJD-UHFFFAOYSA-N 404.869 4.591 0 40 HJAB Cc1cccc(-c2nnc([C@H](C)N(C)CC(=O)Nc3c(Cl)cccc3Cl)o2)c1 12850068 MJFXUGCOQYQBSO-ZDUSSCGKSA-N 419.312 4.983 0 40 HJAB COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc(OC)c1Br 12867678 JQZIFEVQBUPFKA-LLVKDONJSA-N 404.260 4.704 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cccc3c4c([nH]c23)CCCC4)c(C)c1 12947270 BYAVIOAFKKCCRF-UHFFFAOYSA-N 403.526 4.683 0 40 HJAB COc1ccc(-c2nc(C(=O)N[C@H](C)c3ccc(F)c(F)c3)cs2)cc1OC 12972321 KPSWRMYQXSXGRL-LLVKDONJSA-N 404.438 4.597 0 40 HJAB COc1ccc(C(=O)c2cc3c(cc2NC(=O)c2ccc(Cl)cc2)OCCO3)cc1 13946006 QNXACOZEUSBNMS-UHFFFAOYSA-N 423.852 4.603 0 40 HJAB CC(=O)NCc1ccc(-c2csc(NC(=O)COc3ccccc3C(C)C)n2)cc1 14244480 NQQJSTXFNIYMJL-UHFFFAOYSA-N 423.538 4.587 0 40 HJAB CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(Cl)c2)CC1 14291108 VXTUJDDAAPTXAR-UHFFFAOYSA-N 420.340 4.550 0 40 HJAB COc1ccccc1-c1noc(CCCC(=O)Nc2c(C)ccc3cccnc23)n1 19234329 VAAACDKATYLNQO-UHFFFAOYSA-N 402.454 4.563 0 40 HJAB C[C@H]1CCc2onc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3Cl)c2C1 19497152 GZPLVRMGVWWROI-LIRRHRJNSA-N 424.932 4.505 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3ccc4c(c3)ncn4C3CC3)n2)c(OC)c1 19663073 SFUAUXCLKMMIOT-UHFFFAOYSA-N 420.494 4.764 0 40 HJAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1cc(Cl)cc(Cl)c1 19937626 FTUQFEFERGUVHN-UHFFFAOYSA-N 408.672 4.578 0 40 HJAB COc1ccc(-c2nn3c(-c4cc(Cl)ccc4O)nnc3c3ccccc23)cc1 20744707 XBDKQQXGZOHYTK-UHFFFAOYSA-N 402.841 4.979 0 40 HJAB COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)n2)cc1 21167961 HREOCKMPXCQPHH-AWEZNQCLSA-N 410.543 4.897 0 40 HJAB CCOC1(OCC)C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 22114874 IHEMJHKCXMTBNE-UHFFFAOYSA-N 409.269 4.693 0 40 HJAB O=C(CSc1nnc2sc3ccccc3n12)Nc1nc(-c2ccccc2)cs1 22145303 KCESDCUDQXIVIT-UHFFFAOYSA-N 423.548 4.798 0 40 HJAB Cc1cc(Br)ccc1SCC(=O)NCc1coc(-c2cccs2)n1 26064692 UWCZSOHPGSDAOL-UHFFFAOYSA-N 423.357 4.883 0 40 HJAB CCc1ccc(OCC(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1 27743944 GXRXGWYAVHXLFG-UHFFFAOYSA-N 401.260 4.684 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(I)cc1 30856920 CFMOAIQYHDLIFE-AWEZNQCLSA-N 415.658 4.741 0 40 HJAB CC(=O)[C@@H](CN(C(C)C)C(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841665 OUEQETVIEFWKSK-FYYLOGMGSA-N 421.537 4.955 0 40 HJAB CCCCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(C)c(C)c2)c2ccccc21 32088331 UMISJKWKLXVLST-VWLOTQADSA-N 414.509 4.914 0 40 HJAB Cc1ccc(-c2csc(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)n2)cc1 32668420 GXRMXCJKCWNUMQ-HNNXBMFYSA-N 423.563 4.975 0 40 HJAB COc1ccc([C@H](C)NC(=O)c2ccccc2SCc2cc(C)no2)cc1F 32810631 LIGAQOOQVQBHPE-AWEZNQCLSA-N 400.475 4.914 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSCc1cc(=O)c2cc(C)cc(C)c2[nH]1 33064076 WRZHOKOMQGZCLA-UHFFFAOYSA-N 416.930 4.679 0 40 HJAB Cc1ccc(C)c(Oc2ccc(CNC(=O)CCc3nc4ccccc4[nH]3)cn2)c1 36390788 CRBFWVBZMRAVTK-UHFFFAOYSA-N 400.482 4.616 0 40 HJAB O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccccc2)oc1NCCc1ccccc1 39844115 QQCLUWLUOLKRGO-UHFFFAOYSA-N 422.481 4.968 0 40 HJAB CC(=O)N[C@@H](CC(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F)c1ccc(C)cc1 40033797 KDDJFYTUKGKZGQ-KSSFIOAISA-N 415.440 4.612 0 40 HJAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 40104764 DQAQZXBSOGSVFS-AUUYWEPGSA-N 401.894 4.682 0 40 HJAB CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2cc(Cl)ccc2O)s1 44921049 QPMRVGIVYJNVCE-UHFFFAOYSA-N 415.902 4.616 0 40 HJAB O=C(Nc1nnc([C@H]2CCCO2)s1)c1cc(-c2ccccc2)nc2ccccc12 46085452 ZEVDIYXCOBIYSD-LJQANCHMSA-N 402.479 4.857 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)NCCOc2ccc(C(C)C)cc2)no1 48333748 IZSOUMOEUIMAER-UHFFFAOYSA-N 411.527 4.603 0 40 HJAB O=C(CN1CCC[C@H](COCc2ccccc2)C1)Nc1ccccc1C(F)(F)F 56908446 GTEBYFPFRNCTFQ-SFHVURJKSA-N 406.448 4.573 0 40 HJAB O=C(c1cccc(Cl)c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317234 HGEQZKLWBKBAJS-UHFFFAOYSA-N 407.194 4.512 0 40 HJAB Cc1ccc(N2C(=O)CC[C@H](C(=O)OC[C@@H]3CCCCO3)[C@H]2c2cccs2)cc1 69007485 SXVNDXPNDWOTIV-IPJJNNNSSA-N 413.539 4.653 0 40 HJAB Cc1ccc(C(=O)NC[C@@H](C)Nc2ccccc2)cc1NC(=O)c1ccccc1F 72311613 YYWKBQINZCRHJP-QGZVFWFLSA-N 405.473 4.617 0 40 HJAB Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)[C@@H]3C[C@H]3C)CC2)c1 72345319 ZLPASPXBQHSSKQ-HYBUGGRVSA-N 418.581 4.558 0 40 HJAB COc1cccc(CN2CC=CC[C@H](C3CCN(Cc4ccc(F)cc4)CC3)C2=O)c1 72371051 LNMVFAZDEVWPQE-RUZDIDTESA-N 422.544 4.651 0 40 HJAB CCOc1ccc(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc23)c(C)c1C 72414347 SKHAAIRRJIDTJN-UHFFFAOYSA-N 422.550 4.501 0 40 HJAB Cc1nc(-c2ccccc2F)sc1CNC(=O)[C@@H](C)Oc1ccccc1Cl 90592914 MNLREZQSFYDRQJ-CYBMUJFWSA-N 404.894 4.995 0 40 HJAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccc3c(c2)OCCO3)C[C@H](c2cccs2)C1 102750986 OULKSYCWRVBARL-HXPMCKFVSA-N 422.466 4.531 0 40 HJAB CC1(C)C[C@@H](NC(=O)COc2ccc(Cl)cc2Br)c2ccccc2O1 218857260 NQSXHVCDJAJXPO-OAHLLOKOSA-N 424.722 4.900 0 40 HJAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCS[C@@H](c2cccs2)CC1 219546753 RBEDXGGGXKYUFT-OAHLLOKOSA-N 423.503 4.516 0 40 HJAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CSCc1ccc(Cl)c(Cl)c1 222733619 SULHPHBADRZCOL-UHFFFAOYSA-N 422.337 4.935 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 223058200 CFSVJFNTNLLPGX-HZPDHXFCSA-N 421.368 4.868 0 40 HJAB CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223204382 CTTPJOVIBODALL-HSZRJFAPSA-N 412.549 4.728 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223811441 YDLOBZMKJSGMII-OAQYLSRUSA-N 406.570 4.712 0 40 HJAB CSc1cccc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)c1 223900652 DKMWSXCESKDCSA-UHFFFAOYSA-N 410.586 4.526 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C 224023854 ICVFXLBBHTYHQN-XMMPIXPASA-N 424.585 4.578 0 40 HJAB Cc1ccc(SCCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 224077997 JAISXSUHXHLWDL-HXUWFJFHSA-N 412.599 4.667 0 40 HJAB CCc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)cc1 224115926 QIRHPZYEMSFYDF-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C 224634280 ATUBZCKUGAZZDR-VWLOTQADSA-N 420.597 4.755 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 225005968 UAQHTXHLEVHHQE-ROUUACIJSA-N 400.950 4.605 0 40 HJAB Cc1cc(NC(=S)NCCCc2ccccc2Cl)ccc1N1CCCC1=O 225542142 WEVCDJUAEZDXOF-UHFFFAOYSA-N 401.963 4.694 0 40 HJAB COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225577158 GHSLMJUKRIMRHO-UHFFFAOYSA-N 411.304 4.992 0 40 HJAB CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc(OC)c(OC)c1 225875266 IUDYKRCRIIIEBB-QGZVFWFLSA-N 411.926 4.997 0 40 HJAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)C1(c2ccc(Cl)cc2)CCCC1 245180757 ZJOPVXQYHXCLNK-JOCHJYFZSA-N 415.942 4.859 0 40 HJAB COc1cccc2cc(CN3CC[C@@H]4[C@H]3CCCC(=O)N4Cc3ccccc3)oc12 257251984 JTCZKFLBKVCFRA-FGZHOGPDSA-N 404.510 4.597 0 40 HJAB COc1ccc(C)cc1CN1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 257278542 OCQOVHDSJUJJIF-LJQANCHMSA-N 424.589 4.511 0 40 HJAB CC(C)n1nccc1C(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257305025 SODBFRIQKGRUJJ-KRWDZBQOSA-N 412.921 4.716 0 40 HJAB COc1ccccc1CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257324428 WOQKNOQRKLGMQN-IBGZPJMESA-N 424.928 4.876 0 40 HJAB O=S(=O)(Nc1ccccc1-c1cn2ccccc2n1)c1ccccc1C(F)(F)F 390827145 FDLBWNHEIHLTLM-UHFFFAOYSA-N 417.412 4.821 0 40 HJAB COC(=O)c1ccc([C@@H]2Nc3c(ccc(C(=O)OC)c3C)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 408621387 LXHLZRVWGSNMFG-VNTSLDCZSA-N 405.494 4.865 0 40 HJAB O=C(O)[C@@H]1CS[C@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N1 408817236 XKIRALXPLLJYTM-FUHWJXTLSA-N 407.322 4.785 0 40 HJAB O=C(Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1)c1cnn2cccnc12 588463024 MXBGITCHAQLSBY-UHFFFAOYSA-N 409.902 4.560 0 40 HJAB C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C[C@H](c1ccccc1)c1ncc[nH]1 1641158084 LQTVMGCCWDGGKA-RHSMWYFYSA-N 407.905 4.681 0 40 HJAB Cc1cc(F)ccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 919306 ZJLFUBSIGDDSQU-CZUORRHYSA-N 408.355 4.836 0 40 HJAB Cc1cc(C)c2[nH]c3nc(SCC(=O)Nc4cc(Cl)ccc4C)nnc3c2c1 976834 PVHAODAAOUJCLS-UHFFFAOYSA-N 411.918 4.816 0 40 HJAB OCC[C@H]1CCCCN1c1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12 1341268 PAXQDESKFJHMCK-OAQYLSRUSA-N 416.500 4.944 0 40 HJAB CCCCCSc1nnc2c(n1)O[C@H](c1cccnc1)N(C(C)=O)c1ccccc1-2 2103879 UQRBZNCMODVUDC-OAQYLSRUSA-N 421.526 4.660 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(Cc1ccc(F)cc1)C3=O 2704150 XGLRLESMKORWDD-QFIPXVFZSA-N 415.420 4.692 0 40 HJAB Cc1nc(N2CCN(c3ccc(O)cc3)CC2)c2cc(-c3ccccc3)sc2n1 3284414 VSLYSNIILNNVTJ-UHFFFAOYSA-N 402.523 4.699 0 40 HJAB O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc(F)c(Cl)c1 3344532 ADQFQGUTVZOWIK-UHFFFAOYSA-N 412.874 4.944 0 40 HJAB O=C(CSc1nnc(CNc2cccc(Cl)c2)o1)Nc1ccccc1Cl 4130201 HQEKDWCMXRQYKF-UHFFFAOYSA-N 409.298 4.719 0 40 HJAB O=[N+]([O-])c1ccc(NN=Cc2cccc3c(Br)cccc23)c([N+](=O)[O-])c1 4265724 OKEITQVQQASTMF-UHFFFAOYSA-N 415.203 4.865 0 40 HJAB biogenic COc1ccc2oc(C(=O)OCC(=O)Nc3ccc(N4CCCCC4)cc3)c(C)c2c1 4297239 UDAPOMPJMVNFEO-UHFFFAOYSA-N 422.481 4.536 0 40 HJAB Cc1cc2nc3s/c(=C/c4ccc(-c5ccc(F)cc5F)o4)c(=O)n3c2cc1C 4537549 AHQBYPGALDUWLT-KEBDBYFISA-N 408.429 4.612 0 40 HJAB Cc1ccc(CNC(=O)c2c(N)n(-c3ccc(C)cc3)c3nc4ccccc4nc23)cc1 5065809 NWJDYTVACLSHAT-UHFFFAOYSA-N 421.504 4.703 0 40 HJAB COc1ccc(-c2csc(NC(=O)COc3ccc(Cl)c(C)c3)n2)cc1OC 6334100 YKUCPLXPJIYXNM-UHFFFAOYSA-N 418.902 4.807 0 40 HJAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cccnc1Oc1ccccc1)CC2 6756283 KWKOLZNQXQHHLW-INIZCTEOSA-N 404.466 4.651 0 40 HJAB COc1ccc(OC)c(-c2csc(NC(=O)CCCOc3ccc(C)cc3)n2)c1 6887264 WZCFFIULYRQHIH-UHFFFAOYSA-N 412.511 4.933 0 40 HJAB O=C1c2ccccc2N[C@H](c2cnn(Cc3ccccc3)c2)N1CCc1ccccc1 7113110 SCDKXPPQXLJQOQ-VWLOTQADSA-N 408.505 4.741 0 40 HJAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccccc3SC)sc2n1 7604297 RQGHZORBYKIFAC-UHFFFAOYSA-N 416.597 4.988 0 40 HJAB CC(=O)N[C@H](CC(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1)c1ccccc1 7990911 YIGJOCFYXWTCLO-LJQANCHMSA-N 408.527 4.535 0 40 HJAB O=C(COc1ccccc1-c1ccccc1)Nc1ccccc1C(=O)N1CCCCC1 8132004 XABRGQNKFZUCNR-UHFFFAOYSA-N 414.505 4.997 0 40 HJAB O=C(/C=C/c1ccc(OCc2cn3ccccc3n2)cc1)N1CCc2ccccc2C1 8135798 VOXWYMUQRZUDNS-JLHYYAGUSA-N 409.489 4.511 0 40 HJAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cc(Cl)ccc1Cl 8310317 MGHZJGCVTKDATP-GOSISDBHSA-N 421.324 4.930 0 40 HJAB CCc1sc(-c2nnc(COC(=O)CCc3nc4ccccc4s3)o2)cc1C 8938140 YGTYGAKIBNVKDH-UHFFFAOYSA-N 413.524 4.955 0 40 HJAB COc1ccccc1-c1noc(CSc2nnc(C)n2-c2ccc(C)c(C)c2)n1 9185024 BUMXXZBYWBXVOG-UHFFFAOYSA-N 407.499 4.543 0 40 HJAB COc1ccccc1N1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 9527725 LXHKCSGAVYMWLW-UHFFFAOYSA-N 420.513 4.833 0 40 HJAB COc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4cccc(C)c4)nc3C2)cc1OC 9935877 WYVGUEAGJSYOKO-QGZVFWFLSA-N 403.482 4.767 0 40 HJAB O=C(Nc1ccc(I)cc1)c1ccc(CN2CCCCC2)cc1 10369086 YIYOWCLHVVOJAZ-UHFFFAOYSA-N 420.294 4.529 0 40 HJAB CCn1c(SCCN2CCCCC2)nc2scc(-c3cccs3)c2c1=O 12623006 ATOINVWUIGWBBX-UHFFFAOYSA-N 405.614 4.784 0 40 HJAB COc1cc(C)c(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1OC 12786444 YVWWMNJWBSITPK-UHFFFAOYSA-N 403.438 4.776 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 12797205 UBZAMTITGVDGTF-JOCHJYFZSA-N 422.960 4.709 0 40 HJAB CC(C)Cc1ccc([C@H](C)NC(=O)COc2cc3ccccc3cc2C(=O)O)cc1 12851734 WCEIQPDZPKGLFE-KRWDZBQOSA-N 405.494 4.993 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc2c(=O)n3ccccc3nc2s1 15441466 CDRNRKCUXXOGOM-UHFFFAOYSA-N 423.803 4.834 0 40 HJAB CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)c1 16750331 BMUVZHYNQIJNHC-JOCHJYFZSA-N 421.493 4.552 0 40 HJAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3nc(-c4ccccn4)cs3)c2)n1 19666535 JQAVUQXFVPXRCJ-UHFFFAOYSA-N 409.902 4.913 0 40 HJAB CCSc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 19933142 MMBKMVPQVQGRIB-UHFFFAOYSA-N 412.536 4.852 0 40 HJAB CCCc1nnc2sc(-c3cccc(NC(=O)c4cc5ccccc5o4)c3)nn12 20609667 SLRCTPNDIDPPRE-UHFFFAOYSA-N 403.467 4.804 0 40 HJAB Cc1nnc2sc(-c3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3)nn12 20609762 ZZIOMXGZZBKZEG-UHFFFAOYSA-N 404.282 4.720 0 40 HJAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 20807217 HRBNXKDGOLTHFX-WIYYLYMNSA-N 416.993 4.724 0 40 HJAB CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4ccccc4)[nH]c(=O)c23)C1 21882544 BLZSPPWKZOEQPA-CQSZACIVSA-N 409.555 4.707 0 40 HJAB O=C(Nc1ccccc1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F 24746601 ZIRPBWPFVZYCNE-UHFFFAOYSA-N 400.282 4.557 0 40 HJAB O=C(CCCC(=O)c1cccs1)Nc1ccccc1C(=O)NCc1ccccc1 24771503 KBIKOLOBRZYCLS-UHFFFAOYSA-N 406.507 4.670 0 40 HJAB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)Nc1nnc(C(C)C)s1 25323494 LKHDPAJQADNIQH-MDZDMXLPSA-N 401.923 4.520 0 40 HJAB COc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(C)c2)c1 28527931 VWJYEFDWCIFKKQ-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB Cc1ccc(-c2noc(CSCC(=O)N[C@H](C)c3cc4ccccc4o3)n2)cc1 28909073 GKIVYPKJQHHMCC-OAHLLOKOSA-N 407.495 4.902 0 40 HJAB C/C=C/c1ccc(OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c(OC)c1 32666469 XTXHPMYNALCLGC-ONEGZZNKSA-N 400.784 4.813 0 40 HJAB Cc1cc(-c2nc3cccnc3s2)ccc1NC(=O)c1ccc2nsnc2c1 36638239 SHVBHMVHNRELNT-UHFFFAOYSA-N 403.492 4.924 0 40 HJAB CCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)N(C)C1=S 39556316 YKOWXITYSOULOC-JWGURIENSA-N 419.550 4.530 0 40 HJAB CCc1ccc2oc(-c3cc(NC(=O)COc4ccc(OC)cc4)ccc3O)nc2c1 41091625 DKLIHDVVBMUPPU-UHFFFAOYSA-N 418.449 4.789 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(F)cc1 58058917 ZLWLCQHZFCLMCZ-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB CCCCOc1ccccc1-c1cc(C(=O)NCc2ccc(OCCC)cc2)[nH]n1 72331588 OEUZNUUVXRXSLD-UHFFFAOYSA-N 407.514 4.974 0 40 HJAB O=C(COc1ccccc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359481 WQDLCKLONAXIMA-GOSISDBHSA-N 407.901 4.582 0 40 HJAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77177446 UPYZOPXYUSBQDD-MRXNPFEDSA-N 418.497 4.912 0 40 HJAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96102818 BDDQMPGHPZTSKG-UHFFFAOYSA-N 423.416 4.717 0 40 HJAB C[C@H](NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1)[C@@H]1C[C@H]2CC[C@H]1C2 108858666 QLKRCHVENNKNSU-BOSXTWCSSA-N 403.950 4.636 0 40 HJAB CCCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3c(C)cccc3CC)C2=O)cc1 113627026 SPCWQFDWDOQHAK-LJQANCHMSA-N 410.539 4.720 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 222552942 ICCDKTAPKLGTDF-FQEVSTJZSA-N 421.368 4.868 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1Cc1cccnc1 223474311 JWEDYNKPXJFOJW-GOTSBHOMSA-N 412.518 4.909 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC(C)C)cc2)c1 223942992 BSEQZHMQRXYSIE-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 224000920 VIHYKMDORTXYHL-YVWYTEFXSA-N 406.570 4.743 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 224132366 LZFOCUYSEYAECK-DEOSSOPVSA-N 402.538 4.716 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 224703856 NHIDZIBBJDIEAT-INIZCTEOSA-N 421.368 4.788 0 40 HJAB COc1ccc(OCC(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)cc1 257302787 SEKFVPNXBZVZDX-JOCHJYFZSA-N 424.472 4.546 0 40 HJAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 408563007 SURFLKWRZZBRPQ-UHFFFAOYSA-N 415.559 4.937 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cc(Cl)ccc2Cl)c(C)c1 408660469 LQAYNEKGYSVWAU-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB COc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3)n2)c1 408696343 ABOQTHHURKJMBW-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB CCOc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)c(OCC)c1 408761984 INQFSMJCSQAMTG-BOPFTXTBSA-N 416.271 4.591 0 40 HJAB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1C 409352509 CZXPEFUZJCZNJW-VCHYOVAHSA-N 401.871 4.576 0 40 HJAB O=S(=O)(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc2ccccc2c1 524018686 MTYUHRURJMBMKT-UHFFFAOYSA-N 419.384 4.709 0 40 HJAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1sc2ccccc2c1Cl 1670289933 SMIIBRHFTJGAJI-KRWDZBQOSA-N 417.939 4.720 0 40 HJAB CCn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nnc1-c1ccccc1 963159 MMEZFYNCWIRBDJ-UHFFFAOYSA-N 420.582 4.538 0 40 HJAB O=C1OC(c2ccccc2)(c2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1 1595391 PNHGDMUCPUQOLI-UHFFFAOYSA-N 420.464 4.974 0 40 HJAB in-vitro COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cccc(OC)c2)cc1 2244427 WVBGERWEGXWCKV-UHFFFAOYSA-N 416.477 4.550 0 40 HJAB COc1ccc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)cc1 2385376 RXANGABOHWCSDA-UHFFFAOYSA-N 424.460 4.522 0 40 HJAB CCCCCOC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 2409851 JFYOSHKDSOZATQ-UHFFFAOYSA-N 402.498 4.756 0 40 HJAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc(=O)c2ccccc2o1 2483620 YQFVFTMAJZKJKI-UHFFFAOYSA-N 405.431 4.560 0 40 HJAB CCOc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 2626047 BGYIRWZPKKXIFE-UHFFFAOYSA-N 419.506 4.960 0 40 HJAB CCc1cccc(C)c1N(C(=O)CSc1nc2cc(C)ccc2[nH]1)[C@H](C)COC 2666057 GSYKRHBKHPBDPE-QGZVFWFLSA-N 411.571 4.902 0 40 HJAB CCCCOC(=O)c1c(N)n(-c2ccc(Cl)c(OC)c2)c2nc3ccccc3nc12 3311139 SHOMEYPLFSGSPR-UHFFFAOYSA-N 424.888 4.775 0 40 HJAB CC[C@@H](NC[C@H](O)COCc1ccccc1Cl)c1ccc(Br)cc1 3441517 COPLWPMLFGPMNU-PKOBYXMFSA-N 412.755 4.721 0 40 HJAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2cccc(O)c2)n2c(nc3ccccc32)N1 4731522 GFPYNSYXEUQWKR-HSZRJFAPSA-N 410.477 4.978 0 40 HJAB c1ccc(CC2CCN([C@H](c3cccnc3)c3nnnn3C3CCCCC3)CC2)cc1 4925463 KLNUTRMSEYXXJB-XMMPIXPASA-N 416.573 4.617 0 40 HJAB CCOc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)C)c2ccccc2)cc1 4933828 MZSAQUXDFKGBAE-JOCHJYFZSA-N 420.509 4.981 0 40 HJAB CCOc1ccccc1NC(=O)[C@H](Oc1ccc(-c2nnco2)cc1)c1ccccc1 5429305 UYNJUGVORJAXPN-JOCHJYFZSA-N 415.449 4.894 0 40 HJAB O=C([C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1)N1CCCC1 5473803 NMKPIIIUZHTKEO-OAQYLSRUSA-N 418.566 4.660 0 40 HJAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)[C@@H]1C 5865106 AJBJYIWZJYWDJP-CPUCHLNUSA-N 416.345 4.637 0 40 HJAB CCc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)cc1 6767053 TZFLZOUJVKJDML-UHFFFAOYSA-N 420.534 4.561 0 40 HJAB Cc1cc(C(=O)OCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)c(C)o1 7745081 KEYCRWRJYVYDHZ-UHFFFAOYSA-N 411.498 4.644 0 40 HJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3ccc(C)c(C)c3)ccc1O2 8961472 QOKODWMXDHMEDX-UHFFFAOYSA-N 422.506 4.795 0 40 HJAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1nc2ccc(Cl)cc2s1 9222159 CSNMJFDTTCNOAJ-UHFFFAOYSA-N 420.878 4.870 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)c4ccccc4F)cc32)cc1 9738556 GQNPELKBEKGLPX-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 12559354 XSNZUIAFDKEXCP-UHFFFAOYSA-N 407.857 4.828 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](C)c1ccccc1Br 13068805 QPQAFGOVRNMEEW-GFCCVEGCSA-N 411.727 4.709 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)Cc2ccccc2)c1 14404945 GLEUOCBBZQFQPV-UHFFFAOYSA-N 424.504 4.923 0 40 HJAB COc1ccc(Cc2cnc(NC(=O)c3ccc(Oc4ncccn4)cc3)s2)cc1 19555963 BDSKMVLGQKLLDK-UHFFFAOYSA-N 418.478 4.577 0 40 HJAB Cc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc2c(c1)NC(=O)[C@@H](C)O2 19796606 MIQQJRCODREQTN-SNVBAGLBSA-N 413.886 4.744 0 40 HJAB Cn1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(=O)c2cc(F)ccc21 22236384 RPUJXMBRRUSZLR-UHFFFAOYSA-N 400.453 4.520 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)nc2ccccc21 23074653 LQQOFZDKZVMNPY-UHFFFAOYSA-N 417.538 4.850 0 40 HJAB COc1cc(CN(C)C(=O)COc2ccc(-c3ccccc3)cc2Cl)ccc1O 24745570 CLBUKWGZSDOHHI-UHFFFAOYSA-N 411.885 4.759 0 40 HJAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CCSc2c(F)cccc21 24756915 VKHWKTJINVQDSV-BBRMVZONSA-N 422.934 4.635 0 40 HJAB O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 29116932 DWLWDFYWGXLEJI-JOCHJYFZSA-N 423.871 4.924 0 40 HJAB CCn1nc(C)c2c(C(=O)Nc3cc(C)nn3Cc3ccccc3Cl)cc(C)nc21 36615994 PHRWNWAEBHFYIM-UHFFFAOYSA-N 422.920 4.527 0 40 HJAB O=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1)c1ccc(Br)o1 36662975 RDQNEXSNGIUEKQ-UHFFFAOYSA-N 403.019 4.651 0 40 HJAB Cc1ccc(Oc2cccc(NS(=O)(=O)c3ccc4cccc5c4c3CC5)c2)nn1 38670771 CMLOFKXDZDCASQ-UHFFFAOYSA-N 417.490 4.630 0 40 HJAB Cc1ccc(-n2cnc3nc(N4c5ccccc5C[C@H]4C)[nH]c(=O)c3c2=S)c(C)c1 40385794 ZOCYXBYNCNRCIM-OAHLLOKOSA-N 415.522 4.538 0 40 HJAB CCN(CC)C(=O)c1ccc(CNC(=O)Nc2ncc(-c3ccccc3)s2)cc1 43636172 NHGINQCRYZOCMT-UHFFFAOYSA-N 408.527 4.614 0 40 HJAB CC(=O)N(c1nc(C)c(C(=O)Nc2nc3ccccc3s2)s1)C1CCCC1 44919561 MLELKSPBPXFCTR-UHFFFAOYSA-N 400.529 4.609 0 40 HJAB Cc1ccc(CN(Cc2cc(=O)n3ccsc3n2)[C@@H]2CCc3ccccc32)cc1 48311526 UKKLNCCHCNVFKU-JOCHJYFZSA-N 401.535 4.754 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cccc(F)c1 58059010 MIFUTOMKYXFNBJ-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 58269003 SCRVFBVYMVFLIT-PGRDOPGGSA-N 409.530 4.680 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(F)cc3F)oc12 67293538 VYRJCAZPAOCLQD-ROMGYVFFSA-N 407.376 4.599 0 40 HJAB Cc1cc(C)cc(C[C@H](C(=O)O)[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 71405979 CSJXHFTXPSCDFE-KDOFPFPSSA-N 409.404 4.720 0 40 HJAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 89532555 PAEQDAKYEPFNQN-UHFFFAOYSA-N 412.389 4.903 0 40 HJAB COc1ccc2cc(C(=O)Nc3ccccc3C(=O)N3C[C@H](C)C[C@@H](C)C3)[nH]c2c1 89920255 RENCQXYIAVSQRO-HZPDHXFCSA-N 405.498 4.547 0 40 HJAB COCCn1ccc2c(C(=O)N[C@@H]3CCCc4c3[nH]c3ccc(OC)cc43)cccc21 96221412 ABJLBWGKYPORAU-JOCHJYFZSA-N 417.509 4.585 0 40 HJAB biogenic COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 96590595 JKVOBPWDYGOYMM-JTQLQIEISA-N 413.688 4.647 0 40 HJAB O=C(Cc1cccc(Br)c1)O[C@H](c1ccncc1)c1ccc(F)cc1 97212288 WFRIEHBHQMASLV-FQEVSTJZSA-N 400.247 4.859 0 40 HJAB CCOc1ccccc1N1C(=O)N[C@H]2C[C@@]1(C)Oc1ccc(Br)cc12 101084971 PXCXJWJBYLPZFT-IFXJQAMLSA-N 403.276 4.617 0 40 HJAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102726881 KHHCYVQXMCAFRN-BHIFYINESA-N 418.880 4.700 0 40 HJAB O=C(/C=C/c1ccc(F)cc1)/N=C1\N=C/C(=N/Nc2cccc(C(F)(F)F)c2)S1 136268565 JXJPZOQRUZADAW-IYDZAXMXSA-N 420.391 4.984 0 40 HJAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 222775408 SBVPRIWFOPXJNK-MOPGFXCFSA-N 400.910 4.657 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OC)cc1 222977135 OSXMSDKKTPMPPF-VXKWHMMOSA-N 406.555 4.654 0 40 HJAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 223414722 KEPVXJDCXZRYQM-UHFFFAOYSA-N 420.940 4.707 0 40 HJAB Cc1ccc(N(CC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)c(C)c1 223621626 BSOWQJQCNZPXPV-UHFFFAOYSA-N 422.506 4.608 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 224420548 LHQBNKMZAKWEJW-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1C1CCCC1 225005680 PNLWHDJCRJDSIX-JKSUJKDBSA-N 408.390 4.821 0 40 HJAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCCNc1ccccc1 225050101 DEPDEKUZEOQUBD-XZOQPEGZSA-N 419.598 4.939 0 40 HJAB CCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225389022 NJTUKLYKMPVZTP-QHCPKHFHSA-N 410.533 4.625 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225482388 UJZZVOSLRDHHAF-RDPSFJRHSA-N 424.585 4.911 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1cccc(OC(C)C)c1 225839911 HPBFAVQJUJWDCB-JCMHNJIXSA-N 404.466 4.785 0 40 HJAB C[C@H]1CCCN(c2cc(Cl)nc(NC(=S)NCc3ccc(Cl)cc3)n2)C1 225936051 PDYACOWAQOVZJD-LBPRGKRZSA-N 410.374 4.506 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408705198 ZQCSFVKOSOBZRT-UHFFFAOYSA-N 414.914 4.729 0 40 HJAB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3c4ccccc4C[C@H]23)cc1OC 408999034 RESLALLENNWDEN-IEXUWNMDSA-N 401.462 4.873 0 40 HJAB CCc1ccc(NCc2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 409110007 PILNSIQVOSDKBR-UHFFFAOYSA-N 411.523 4.946 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1/C=C1/N=C(c2ccco2)OC1=O 409188322 GOKVAUMDIDWBSN-ZXJFHEOESA-N 419.820 4.896 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2C)cc1 409412229 ULOOUSPAXKDKPO-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB COc1ccccc1[C@@H](C)NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 644631693 FBNQRJIPHZGFCI-CYBMUJFWSA-N 402.903 4.973 0 40 HJAB Cc1cc(NC(=O)c2ccn(-c3c(F)cccc3F)n2)ccc1OCC(F)(F)F 1126376398 QDGYLMOPGGSJBV-UHFFFAOYSA-N 411.330 4.652 0 40 HJAB COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@H](C(=O)OC)[C@H]1c1ccc(F)cc1 626784 NBRAHZGCBSZXDC-LEWJYISDSA-N 409.457 4.506 0 40 HJAB O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1ccc(Cl)cc1 851206 FMNATVDAEZICRA-UHFFFAOYSA-N 424.707 4.883 0 40 HJAB Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)cc1C 1346487 RACKNYMURRZAFQ-UHFFFAOYSA-N 423.929 4.817 0 40 HJAB COc1cc(-c2nc(-c3ccc(Cl)cc3Cl)cc(=O)o2)cc(OC)c1OC 2216991 KPKAJMZQORITPW-UHFFFAOYSA-N 408.237 4.701 0 40 HJAB CC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(OCc2ccccc2)cc1 2222680 NURNGRBKIZFTRI-BTYIYWSLSA-N 423.538 4.913 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(F)c2)N1Cc1ccco1 2449789 WCQOYIFFQDHUQL-IBGZPJMESA-N 409.800 4.924 0 40 HJAB Cc1sc2nc(COC(=O)c3ccccc3Nc3ccccc3)[nH]c(=O)c2c1C 2645103 ZIBQRUGQUCBQGL-UHFFFAOYSA-N 405.479 4.702 0 40 HJAB CCc1c(C)sc2ncn3nc([C@H](C)n4nc(C(F)(F)F)cc4C4CC4)nc3c12 2789551 IKXILGDLDSHKDB-VIFPVBQESA-N 420.464 4.912 0 40 HJAB O=C(OCC(=O)N1CCCc2ccccc21)/C(=C/c1cccs1)c1cccs1 3240757 NBVGKCTUUOXDPZ-NBVRZTHBSA-N 409.532 4.873 0 40 HJAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(OC(F)F)cc1 3372970 XBASULZZDHLDIF-RUDMXATFSA-N 415.314 4.502 0 40 HJAB CCOc1ccccc1Nc1nnc(SCC(=O)c2cc(C)n(C)c2C)s1 3439155 AGYZJISXQSDJGC-UHFFFAOYSA-N 402.545 4.611 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)c(C)c1C 4626086 OOSUUJAXHZINAQ-UHFFFAOYSA-N 421.522 4.736 0 40 HJAB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3c(F)cccc3s2)CC1 5181987 KOEMPYQFGXRWDR-UHFFFAOYSA-N 410.301 4.705 0 40 HJAB Cc1cc(C)cc(C(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2F)c1 5259101 CJQBRODDHSZIGA-UHFFFAOYSA-N 401.441 4.702 0 40 HJAB Brc1cccc(CSc2ncnc3c2cnn3Cc2ccccc2)c1 5478732 MEGPKSRJQHWZOY-UHFFFAOYSA-N 411.328 4.929 0 40 HJAB CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 6372552 OCXVFBSZYBJFRB-UHFFFAOYSA-N 408.523 4.887 0 40 HJAB C[C@H](Oc1ccc(-c2nc(C(C)(C)C)cs2)cc1)C(=O)Nc1ccc(C(N)=O)cc1 7454019 LVQPIZRWKACNPK-AWEZNQCLSA-N 423.538 4.613 0 40 HJAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@@H](C)c2cccnc2)c1 8164094 NCJAYEASJVDSTD-INIZCTEOSA-N 416.456 4.573 0 40 HJAB CCCCN1C(=O)CC[C@H](C(=O)NC2CCCCCC2)[C@H]1c1ccccc1OC 8193305 HEXWYJBOAWORJF-NZQKXSOJSA-N 400.563 4.614 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 8274871 DPIRNMKYMLQHPE-UHFFFAOYSA-N 420.513 4.987 0 40 HJAB Cc1ccc(-c2nc(CSc3nnc(NC[C@H]4CCCO4)s3)cs2)cc1 8327266 IFBUKIQJMSONHI-OAHLLOKOSA-N 404.586 4.853 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(N3CCCCC3=O)cc2)cc1 8339768 VCQTYFXNVRBAER-QHCPKHFHSA-N 406.526 4.970 0 40 HJAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(Br)cc3)sc2c1 8903600 XTOLLIWGNJYEDZ-UHFFFAOYSA-N 419.300 4.876 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(OCc3cscn3)cc2)c1 9156422 XPGWFWOBOHWZGF-OAQYLSRUSA-N 424.522 4.717 0 40 HJAB Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)o1 9573824 YVDXWPUAIVUWKU-UHFFFAOYSA-N 400.360 4.657 0 40 HJAB O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)Nc1ccc(O)cc1 9577234 ZEDQBXXUDKJCPJ-UHFFFAOYSA-N 421.836 4.837 0 40 HJAB O=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCc2[nH]c3ccccc3c2C1 9900026 QSEMXCOIWOQVFI-UHFFFAOYSA-N 404.473 4.977 0 40 HJAB biogenic COc1cccc(NC(=O)N2CC3(CCCC3)c3cc4c(cc3[C@@H]2C)OCCO4)c1 11562835 UJXMZQUYFNSPSC-INIZCTEOSA-N 408.498 4.887 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccccc2Cl)o1 11971113 GEWFXEZVHYJWRW-UHFFFAOYSA-N 411.918 4.885 0 40 HJAB COC[C@H](C)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 12609042 LTFKBYPZHOBPRK-JTQLQIEISA-N 412.342 4.526 0 40 HJAB CCn1c(COc2cccc(C(F)(F)F)c2)nnc1[S@@](=O)Cc1ccc(C)cc1 12860945 CTBJQQMEMHHOTG-GDLZYMKVSA-N 423.460 4.512 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2ccccc2OCc2csc(C)n2)cc1Cl 12937950 UNDYSJAPDCHSOQ-UHFFFAOYSA-N 415.902 4.895 0 40 HJAB CCc1cccc(CC)c1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 12979535 SDXMTHYPKREUPK-PGMHBOJBSA-N 413.481 4.695 0 40 HJAB CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1cc2ccccc2o1 15019310 SRJCJEYXSPDJHJ-UHFFFAOYSA-N 410.474 4.890 0 40 HJAB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cccc(C(F)(F)F)c1 16047629 PCCWSRLUVPCMIP-UHFFFAOYSA-N 412.165 4.770 0 40 HJAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc3ncccc23)C1 19081943 GOQUGZPRCNEZDO-HYBUGGRVSA-N 416.569 4.745 0 40 HJAB Cc1ccnc(-n2cccc2CN(CCCn2ccnc2)Cc2cccc(F)c2)c1 19238213 OPOIFOCWBOUVHS-UHFFFAOYSA-N 403.505 4.609 0 40 HJAB CCn1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c(C)n1 19524556 LGSFLWFAZSPAKA-HXUWFJFHSA-N 408.502 4.712 0 40 HJAB Cc1nn([C@H](C)CC(=O)N2CCC[C@H](COc3ccccc3F)C2)c(C)c1Cl 19577514 PANSGIVXJFBHKM-PBHICJAKSA-N 407.917 4.561 0 40 HJAB CCCOc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1 20152836 DMJQQUVYKMEJNT-UHFFFAOYSA-N 424.522 4.663 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 20744897 RVAZZEHVMILKQE-INIZCTEOSA-N 400.360 4.740 0 40 HJAB Cc1nc(NC(=O)c2cc(F)c(F)cc2Cl)sc1Cc1ccc2c(c1)OCO2 22915447 BVRNWCDSQASEHO-UHFFFAOYSA-N 422.840 4.955 0 40 HJAB O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1CCCc2ccccc21 24256873 ZSNNTJMEKMODFS-UHFFFAOYSA-N 404.470 4.728 0 40 HJAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 24631133 KGLSKVSWTSYUDD-GOSISDBHSA-N 415.559 4.662 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(COc2ccc3c(c2)OCO3)o1 28223625 XZAGWPMIZKFWMV-UHFFFAOYSA-N 423.318 4.998 0 40 HJAB Cc1cc(Sc2ccc(Cl)cc2)n2ncc(S(=O)(=O)c3ccccc3)c2n1 28405893 AGLTXJJLAVQMRV-UHFFFAOYSA-N 415.927 4.675 0 40 HJAB COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 29332582 CWOOGNYKYOGEAX-QRWLVFNGSA-N 412.921 4.540 0 40 HJAB CC(C)c1ccc(S(=O)(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1 32610021 JRQYTQRZSWXVQQ-UHFFFAOYSA-N 407.898 4.648 0 40 HJAB CN(Cc1ccccc1Br)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 40096771 VEZKPUHVGMFKOL-UHFFFAOYSA-N 409.152 4.809 0 40 HJAB Cc1cccc2c(C(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)cc(C3CC3)nc12 40106579 WXGOXIYXJVXFLX-QFIPXVFZSA-N 415.493 4.790 0 40 HJAB COc1ccccc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 40140093 JVLMGPBTWFNCLV-UHFFFAOYSA-N 402.244 4.882 0 40 HJAB Nc1c(Cl)cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)cc1Cl 55128517 IVDOJGAATPPVGJ-NSHDSACASA-N 418.733 4.534 0 40 HJAB COc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 58447252 CIXYVUJNRJDNJF-HXUWFJFHSA-N 415.537 4.511 0 40 HJAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 59267771 QSIRCZFWCHWOJC-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB Cc1c(C(=O)Nc2ccc(Sc3nncs3)cc2)oc2c1C(=O)CC(C)(C)C2 65620910 FJRDZMNXEVQDMO-UHFFFAOYSA-N 413.524 4.998 0 40 HJAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3cnn(C)c3C)C2)n1 72354005 UQPBGNDRPLBETK-FQEVSTJZSA-N 422.960 4.696 0 40 HJAB COc1ccc(-c2cc(N3CCC[C@H](C(=O)Nc4cccc(C)c4C)C3)ncn2)cc1 77191910 BHUJDRLQODACBS-FQEVSTJZSA-N 416.525 4.624 0 40 HJAB O[C@H](COc1ccccc1)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 82086478 OMFYGCNSSNEOFN-SFHVURJKSA-N 408.885 4.709 0 40 HJAB COc1ccc(C2(CNC(=O)c3ccc4ccn(C(C)C)c4c3)CCOCC2)cc1 85875955 LGXYYXQYGGWFCC-UHFFFAOYSA-N 406.526 4.709 0 40 HJAB biogenic Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)c2ccccc2n1 89582910 HVSBGHYXKKBDPO-OXQOHEQNSA-N 400.400 4.510 0 40 HJAB CC(C)(C)[C@@H]1CC(c2ccc(Br)cc2)=NN1S(=O)(=O)c1ccccc1 97105784 NWLXELXEPOIXHI-SFHVURJKSA-N 421.360 4.663 0 40 HJAB O=c1c2c(-c3ccccc3)c3c(nc2nc2[nH]ncn12)/C(=C/c1ccccc1)CCC3 103635195 IKRHPFHQZQWRQK-NBVRZTHBSA-N 405.461 4.510 0 40 HJAB Cc1ccccc1CN(C(=O)CSCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C 222676741 BWPRTGGMHRPDNL-IBGZPJMESA-N 412.599 4.560 0 40 HJAB COc1cc2c(cc1S(=O)(=O)Nc1ccc(OCc3ccccc3)cc1)CCCC2 223283355 PPCJBSXBIDMORQ-UHFFFAOYSA-N 423.534 4.954 0 40 HJAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 223962514 USERKWVDGATFPG-FGZHOGPDSA-N 419.554 4.600 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224510006 RHWKFLSYWKXNOO-QFIPXVFZSA-N 422.613 4.975 0 40 HJAB CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCCNc1ccccc1 225050148 DEPDEKUZEOQUBD-GOTSBHOMSA-N 419.598 4.939 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 225125703 JMGVSNMURJMVTK-DEOSSOPVSA-N 424.585 4.831 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 225218380 MRNYXWARRSBGRE-XMMPIXPASA-N 424.560 4.933 0 40 HJAB CSc1cccc(NC(=O)c2snnc2-c2ccc(Br)cc2)c1 225784675 KVWHQBUNILZKNB-UHFFFAOYSA-N 406.330 4.942 0 40 HJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)Cc3ccccc3C)CC2)n1 257282518 OUAJCCIUKXRDRH-AQYVVDRMSA-N 414.553 4.788 0 40 HJAB CCCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1 408561913 LOWVNUWKPHDRGE-UHFFFAOYSA-N 415.559 4.848 0 40 HJAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O 409208829 CISWIODEYRWPPF-MOSHPQCFSA-N 418.474 4.523 0 40 HJAB CC(C)(C)NC(=O)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 647015 HOXRFAJAFIGRLR-RYUDHWBXSA-N 400.832 4.725 0 40 HJAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(OC(C)C)cc1 949604 OBKLYCULGCZHFC-UHFFFAOYSA-N 408.454 4.729 0 40 HJAB O=C(c1ccccc1)[C@@H](c1ccccc1)[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 1624366 DUESBWOCHRCRBK-GCJKJVERSA-N 412.272 4.800 0 40 HJAB C=C=CSc1nnc2n(CC)c(=O)c3c(n12)-c1ccccc1CC31CCCCC1 2296037 NOBBBMRHDHCTCM-UHFFFAOYSA-N 404.539 4.727 0 40 HJAB Cc1ccccc1-c1nc2s/c(=C\c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2n1 2409485 PVEFKPWRLXOWLP-UNOMPAQXSA-N 419.893 4.588 0 40 HJAB CC(C)CCN1C(=O)[C@@](O)(CC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 3231078 UEKQNUBUNZLSMV-OAQYLSRUSA-N 405.416 4.559 0 40 HJAB CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3cccc(Cl)c3)N2C1=O 3636732 FDXHNMGPBAILOV-NVXWUHKLSA-N 406.935 4.578 0 40 HJAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 4090573 NNIHJPWRECLGIY-UHFFFAOYSA-N 410.326 4.859 0 40 HJAB CC(C)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 4484651 LVKMBZLIACCOST-UHFFFAOYSA-N 407.461 4.720 0 40 HJAB COc1ccc(OCC(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 5136949 BFVVAQVPHQJZCX-UHFFFAOYSA-N 416.930 4.518 0 40 HJAB CCS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 5241790 JREYLIBHANHPPO-UHFFFAOYSA-N 406.463 4.541 0 40 HJAB CCOc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 5244221 XUJBIAFNHANENN-UHFFFAOYSA-N 408.420 4.722 0 40 HJAB CC1(C)O[C@](C)(CN2CCCC2)CC[C@@H]1NC(=O)C(c1ccccc1)c1ccccc1 5432557 PJBOSXAOCVTWGX-HOFKKMOUSA-N 420.597 4.747 0 40 HJAB O=C(NCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1)c1ccco1 6446959 MWLSVYWSHBMHJS-UHFFFAOYSA-N 423.900 4.724 0 40 HJAB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccccc1 6453514 MUPKMQGFAOHSEG-BQYQJAHWSA-N 411.093 4.872 0 40 HJAB CSCC[C@H](NC(=O)COc1ccc2ccccc2c1)c1nc2ccccc2[nH]1 6506194 KGEMTJZFHFSFCB-NRFANRHFSA-N 405.523 4.706 0 40 HJAB O=C(CCc1nc2ccccc2s1)OCc1cc(=O)oc2cc3c(cc12)CCC3 6942011 JBSBWNKRMOAMPP-UHFFFAOYSA-N 405.475 4.567 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1cn(Cc2ccccc2)nc1-c1ccccc1 7399622 QDVVBCVZYNLJLH-UHFFFAOYSA-N 411.461 4.622 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 7654587 GLIDYBLRQGVJER-FRXJQHJJSA-N 420.475 4.851 0 40 HJAB CCOc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc(Br)c1OC 7886309 HVZBYRMUNDHOKC-IBGZPJMESA-N 417.303 4.585 0 40 HJAB O=C(c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O)N1CCCCCC1 8471533 NRUGZHFVGXBWPJ-UHFFFAOYSA-N 417.292 4.810 0 40 HJAB COc1ccc(-c2noc(COc3ccc(C(=O)c4ccc(F)cc4)cc3)n2)cc1 8512600 LFFRQTOMVOFISE-UHFFFAOYSA-N 404.397 4.694 0 40 HJAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCC(C)CC2)cc1 8590577 YZWYVJXOLNQYAA-UHFFFAOYSA-N 402.541 4.781 0 40 HJAB Cc1nnc(S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)O)[nH]1 9359893 YZPAKFDDNVAXMJ-YVLHZVERSA-N 401.875 4.563 0 40 HJAB O=C(NCCc1csc2nc(-c3cccs3)nn12)c1cccc(C(F)(F)F)c1 9569543 SKGIZRWXDHKLSI-UHFFFAOYSA-N 422.457 4.511 0 40 HJAB CCCNS(=O)(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 9668471 ZFTFIEYQCYUBFK-UHFFFAOYSA-N 422.550 4.536 0 40 HJAB Cc1nn2c(=O)cc(CSc3nc4ccccc4o3)[nH]c2c1-c1ccc(F)cc1 10338914 NHVDJJMJSZABLR-UHFFFAOYSA-N 406.442 4.571 0 40 HJAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 10422377 WBKUPVBGFBKODG-UHFFFAOYSA-N 411.461 4.803 0 40 HJAB O=C(CS[C@H]1CCc2ccccc2N=C1O)NCc1ccc(Cl)cc1Cl 11865926 NVZAYSZQRNHLCJ-KRWDZBQOSA-N 409.338 4.946 0 40 HJAB Cc1noc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)[C@H]3C[C@@H]3C)cc2)c1C 12182246 YCJIZKMGNSBVAL-LIRRHRJNSA-N 404.514 4.811 0 40 HJAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4ccccc4F)C3)cc2N1 12183531 CWPAWGXOPXQOAK-HBUWYVDXSA-N 424.442 4.740 0 40 HJAB O=C(N/N=C(\C=C\c1ccccc1[N+](=O)[O-])c1ccccc1)[C@H]1C[C@@H]1c1ccccc1 12376148 GDFIZMWCVZDSQM-IUACDRFRSA-N 411.461 4.932 0 40 HJAB CCOc1ccccc1Nc1nnc(S[C@H](C(=O)N(C)C)c2ccccc2)s1 12550803 ABWJIYSYWAPFSF-KRWDZBQOSA-N 414.556 4.602 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)Cc3ccccc3)c2)c(C)c1 12583941 RMVQXSYUZPXZIT-UHFFFAOYSA-N 408.523 4.594 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 12971969 KRKXHNSEOKGBNF-KGLIPLIRSA-N 419.312 4.561 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12979502 AALRZYSUYLDMKT-FRXJQHJJSA-N 420.475 4.851 0 40 HJAB COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](c1cccc(Cl)c1)C3 13639368 VKAYLAUOFKEVHB-MRXNPFEDSA-N 418.884 4.504 0 40 HJAB COc1cc(/C=C2\SC(=S)N=C2O)c([N+](=O)[O-])cc1OCc1ccccc1 17699953 PTXCIKRKWIZJJT-PXNMLYILSA-N 402.453 4.512 0 40 HJAB CCCC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2F)(C(=O)NC(C)C)C1 19501067 FJGXOFZFVXLOAP-RUZDIDTESA-N 410.533 4.579 0 40 HJAB COc1cccc(C(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)c1 19564418 YWUVOKDDPWZYJE-AWEZNQCLSA-N 403.404 4.610 0 40 HJAB Cc1ccc(NC(=O)c2cc(COc3ccc(F)cc3)on2)c(-c2cc(C)n[nH]2)c1 19714686 CCNOMQLGVZXWKY-UHFFFAOYSA-N 406.417 4.652 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 20570861 GSRQBSDJAZVXQV-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB CCCOc1ccc([C@@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)cc1OCC 20672302 QBWYWEJPXMDWDH-JOCHJYFZSA-N 421.497 4.686 0 40 HJAB COc1ccc(NC(=O)NCCC(=O)Nc2ccccc2Oc2ccccc2)cc1 21892732 MFJRLSOHHUVQEQ-UHFFFAOYSA-N 405.454 4.638 0 40 HJAB Cc1ccc(Cn2nc(C)c(CNC[C@H](c3ccco3)N3CCCC3)c2Cl)cc1 22933788 NMTXWADDYUYVSC-OAQYLSRUSA-N 412.965 4.721 0 40 HJAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 23138908 XSFOEABTALYLJR-INIZCTEOSA-N 423.538 4.839 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)sc2c1CCC2 27582617 SLHZWSHMBAXESS-UHFFFAOYSA-N 410.495 4.938 0 40 HJAB C[C@H](c1nc2ccccc2n1C(F)F)N1CCC(C(=O)NCc2ccccc2)CC1 32905015 TXQYKVJUNBKCNP-MRXNPFEDSA-N 412.484 4.521 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3ccncc3)o2)c(C)n1Cc1ccc(F)cc1 32945269 WUSLSIRQQKQPSA-UHFFFAOYSA-N 422.485 4.712 0 40 HJAB CCOc1ccccc1NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 33012582 AAJHVXMXNMQHEB-UHFFFAOYSA-N 415.449 4.820 0 40 HJAB CC1CCN(C(=O)COc2ccccc2-c2noc(-c3ccccc3Cl)n2)CC1 33325218 NOMULAJSOWHWRH-UHFFFAOYSA-N 411.889 4.694 0 40 HJAB O=C(Cc1csc(COc2ccccc2)n1)Nc1ccc(Br)cc1 33326269 QLGAPRMVWJUYFV-UHFFFAOYSA-N 403.301 4.666 0 40 HJAB Cn1nc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1NC(=O)COc1ccccc1 35683191 FLTSRTGTXCVJCQ-UHFFFAOYSA-N 424.913 4.882 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1[nH]c2ccccc2c1Cl 36393871 AJUFOEHOUCNUMC-LLVKDONJSA-N 421.280 4.976 0 40 HJAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)NCc3cccs3)c12 36613382 QMWJJSKADKYMIS-UHFFFAOYSA-N 402.523 4.657 0 40 HJAB Cc1cc(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)n(C2CCCC2)n1 36616373 ALLMKAZWWPOKQE-UHFFFAOYSA-N 420.542 4.878 0 40 HJAB Cc1ccc(OC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1C 41077666 MVIXLBSWZVNTNU-UHFFFAOYSA-N 419.300 4.814 0 40 HJAB Cc1nccc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)n1 58406480 NHIALESVDNNANY-UHFFFAOYSA-N 412.824 4.757 0 40 HJAB O=C(c1ccn(-c2ccccc2)n1)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 65562466 IUHPYRWAQLXLKQ-JOCHJYFZSA-N 415.472 4.769 0 40 HJAB Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(C(=O)C4CCCC4)CC3)c12 72336014 IAEBZCBCQPDHEG-UHFFFAOYSA-N 410.562 4.723 0 40 HJAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 72353912 HNAPBRMDGFWQHA-OAQYLSRUSA-N 419.956 4.978 0 40 HJAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H]3c3cccc(Nc4nc(C)cs4)n3)c2c1 72375899 YVILCTCTHFTNBA-GOSISDBHSA-N 418.526 4.752 0 40 HJAB FC(F)(F)c1cc(NC[C@@H](c2cccs2)N2CCOCC2)c2ccccc2n1 89866638 QFSKODCWAFORPE-KRWDZBQOSA-N 407.461 4.801 0 40 HJAB O=C([C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N(Cc1ccncc1)Cc1cccnc1 96999884 BVCXHTLVSBVUQA-SFTDATJTSA-N 411.427 4.828 0 40 HJAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4cc(C(C)C)n[nH]4)CC3)o2)s1 100156434 QLXGHCVNOROCHP-GASCZTMLSA-N 413.547 4.657 0 40 HJAB CN=[S@@](=O)(OCCCCO[S@](=O)(=NC)c1ccc(C)cc1)c1ccc(C)cc1 103971959 RJQCIWWTUUTPJA-NSOVKSMOSA-N 424.588 4.560 0 40 HJAB C[C@H](NC(=O)C1CCC(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 110533990 IOGFZBPTYATEIP-TYFTYZKUSA-N 414.634 4.675 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C 222823242 ANANUOHZEIKOMB-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 223131713 VYFQNKKOZKKSRK-JOCHJYFZSA-N 424.585 4.633 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCC1 223865969 QRNOKTLLDLUVTK-GOSISDBHSA-N 412.961 4.667 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)c(C)c1 224410252 IUSLYMDQXLHTHR-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 224437941 JUTKTXRIXGLGQJ-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 225478197 ALWPIOUNVSRRME-NFBKMPQASA-N 410.558 4.568 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)c1 225676450 IFKAPUPPRSJKQG-LJQANCHMSA-N 414.977 4.689 0 40 HJAB CSc1ccccc1NC(=O)c1snnc1-c1ccc(Br)cc1 225785962 XZRBLDUAAUWKKM-UHFFFAOYSA-N 406.330 4.942 0 40 HJAB CCOc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1OCC 245237003 AQRRVTTUADGEHZ-XKGZKEIXSA-N 406.519 4.645 0 40 HJAB O=C(NCC1CCN(C2CCSCC2)CC1)Nc1ccc(Cl)c(Cl)c1 252537474 LIAZZENWJLMMCR-UHFFFAOYSA-N 402.391 4.723 0 40 HJAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)COc2ccc(C)cc2)o1 257311587 UKFSUHYBSITLLD-JOCHJYFZSA-N 420.509 4.715 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCC[C@H](C)C1 260812501 DGVTZKMVEXOKIA-UWHHFBIGSA-N 416.606 4.967 0 40 HJAB CC1=Nc2ccccc2/C1=C/C=C1\Sc2ccccc2N1CCCS(=O)(=O)O 334157186 WAHAEPAEUPBHCX-BHWJBJQPSA-N 412.536 4.908 0 40 HJAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 672064 MCVKEYPLXUKTSW-UHFFFAOYSA-N 407.923 4.549 0 40 HJAB O=C(c1ccccc1Cl)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc(Cl)cc1 726966 TVJLIHOKQUYNBO-MRXNPFEDSA-N 403.187 4.603 0 40 HJAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1Cl 907659 LIMWCPPEHLFANA-UHFFFAOYSA-N 415.950 4.603 0 40 HJAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccc(C(=O)O)cc1 955740 FZSIVYBMMOPKRV-UHFFFAOYSA-N 404.344 4.872 0 40 HJAB Cc1cc2c(c(SCc3ccc(F)c(F)c3)n1)C(=O)N(Cc1ccccc1)C2=O 1405555 QFRGOUJWGZFGCJ-UHFFFAOYSA-N 410.445 4.757 0 40 HJAB Cc1cnc(NC(NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(F)(F)F)s1 2050291 PQDDJDWXTMQJKP-UHFFFAOYSA-N 417.762 4.768 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccc1OC 2451705 UWEPVYGJDJVVIF-UHFFFAOYSA-N 410.543 4.828 0 40 HJAB CC(C)CC(=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl 3176754 NJSOEEVRQVVWAC-GFCCVEGCSA-N 402.547 4.720 0 40 HJAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccc(C(F)(F)F)cc1 3247057 DKJYXSLDIJRQKG-UHFFFAOYSA-N 404.388 4.691 0 40 HJAB O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1ccccc1Br 3281011 XUOQRKYKUVZKOE-UHFFFAOYSA-N 403.059 4.551 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)c1C 3426163 XCUFAPSFBVJYDC-XMMPIXPASA-N 423.440 4.938 0 40 HJAB COc1ccccc1Nc1nnc(SCc2cc(=O)oc3cc(C)ccc23)s1 3494408 ODHPZYYNTQXEMG-UHFFFAOYSA-N 411.508 4.997 0 40 HJAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)o1 3652672 KZQIMKSYYSWQBO-WOJGMQOQSA-N 422.824 4.704 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4032238 UWCHXMLXDXSLPL-UGOTWRKWSA-N 418.647 4.647 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1C 4592681 FNIVTKLRINNHER-CYBMUJFWSA-N 410.823 4.967 0 40 HJAB COc1ccc(-n2c(SCC(=O)NCc3cccs3)nc3ccccc32)cc1 4829941 BISSSWOXBLDLQY-UHFFFAOYSA-N 409.536 4.504 0 40 HJAB Cc1ccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NC[C@H]3CCCO3)[nH]2)cc1 4927667 ARFHRYPEQJUOHS-HXUWFJFHSA-N 421.566 4.748 0 40 HJAB COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3F)C2)cc1OC 5022174 JGFBOUOWLVDPQC-GOSISDBHSA-N 410.470 4.896 0 40 HJAB CC1(C)C[C@H](NC(=O)NC2CCCCC2)C[C@@](C)(CNC(=O)NC2CCCCC2)C1 6050257 WAHPXTXIILESAG-GBXCKJPGSA-N 420.642 4.835 0 40 HJAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 6571195 LPAMWOMFYWGENP-DOTOQJQBSA-N 412.584 4.783 0 40 HJAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(OCCC(C)C)cc3)CC2=O)cc1 6880934 KOCCRJQTFOEMFI-LJQANCHMSA-N 424.541 4.892 0 40 HJAB CCc1ccc(N2C(=O)C3=C(C2=O)[C@@H](c2ccccn2)Nc2ccccc2S3)cc1 7496265 RATNNEAERGEOTH-OAQYLSRUSA-N 413.502 4.730 0 40 HJAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7882026 HDUWYKIYPKBRCJ-JTQLQIEISA-N 413.688 4.647 0 40 HJAB COc1cc(Br)cc2cc(-c3nc(-c4ccccc4C)no3)c(=O)oc12 9431216 HFANENFNPWNZEJ-UHFFFAOYSA-N 413.227 4.590 0 40 HJAB CC(C)n1ncc2cc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)cnc21 9459859 FQFOVYBECAOUEJ-UHFFFAOYSA-N 405.483 4.578 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9632230 PSUREWKEXJJUSW-UHFFFAOYSA-N 423.394 4.716 0 40 HJAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CC1 9714265 IGNRDVBJQPTNAN-UHFFFAOYSA-N 424.504 4.516 0 40 HJAB COc1ccccc1[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccccc2C)c2ncnn21 10060398 AEDQBAXMGQOVCJ-XZOQPEGZSA-N 424.504 4.976 0 40 HJAB OCc1cnc(SCc2ccc(Br)cc2)n1Cc1ccc(F)cc1 10336433 DKXMJXOGLXHHNA-UHFFFAOYSA-N 407.308 4.618 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 10360244 GRIDDFIRICFQBN-UHFFFAOYSA-N 420.412 4.759 0 40 HJAB Cc1cc(C)c2nc(N(CCCn3ccnc3)C(=O)c3ccc(F)cc3)sc2c1 10381597 KNLFYISBQWPHBK-UHFFFAOYSA-N 408.502 4.986 0 40 HJAB CCn1/c(=N\C(=O)c2ccc3ncsc3c2)sc2cc(Br)ccc21 12180859 VONTWJQLGYJVRS-LVZFUZTISA-N 418.341 4.836 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1CN1CCC[C@@](O)(c2ccc(F)cc2)CC1 12251886 IDYGOPWGYZVRBG-VWLOTQADSA-N 407.533 4.561 0 40 HJAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 12742937 IVEKFTXKOVIUJF-FPOVZHCZSA-N 424.497 4.524 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(Cl)cccc3Cl)n2C)c1 14082011 ORWRMAWPTGDJQU-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2nc3c(C)cc(C)cc3s2)cc1Cl 17083297 IDBHCZGIFIAPNY-UHFFFAOYSA-N 405.932 4.702 0 40 HJAB Cc1cc(C(=O)N2CCC[C@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c34)C2)on1 19119782 LWORVFXDWACDIY-LBPRGKRZSA-N 422.407 4.681 0 40 HJAB Cc1ccc(-c2nnc([C@@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)o2)cn1 19215082 GSJLYPRKIXCCJK-OAHLLOKOSA-N 417.296 4.767 0 40 HJAB O=C(C1CC1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccccc3Cl)CC[C@H]21 19349199 WIYSDWHVRCGWRH-MQSCRBSSSA-N 412.936 4.706 0 40 HJAB CC(C)N1CCc2c(sc3ncn4nc(-c5ccc6ccccc6c5O)nc4c23)C1 20392442 LXIYWLVOWNZPIB-UHFFFAOYSA-N 415.522 4.631 0 40 HJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccc(C(C)C)cc1 20798502 QZGCZIANXBCSJM-OAQYLSRUSA-N 420.509 4.639 0 40 HJAB CCOc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1OCC 21965387 ZREPFBPQNDVGSM-UHFFFAOYSA-N 416.568 4.950 0 40 HJAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 25087934 SVOLKPHKGSTFCV-UHFFFAOYSA-N 423.519 4.951 0 40 HJAB CN(c1ccc(OCc2cccc3cccnc23)cc1)S(=O)(=O)c1ccccc1 25810340 FYDKCKGNTIRKHG-UHFFFAOYSA-N 404.491 4.639 0 40 HJAB CC(C)COc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 27583872 LWYWXRZXOSOPAO-JOCHJYFZSA-N 400.950 4.942 0 40 HJAB O=C(COc1ccc(Cl)cc1)Nc1cc(Br)ccc1Br 31950837 AMEMYSXMBUVCBS-UHFFFAOYSA-N 419.500 4.883 0 40 HJAB NC(=O)Cc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1 41127449 MMVDJLCTFFALRV-UHFFFAOYSA-N 407.267 4.952 0 40 HJAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 44408218 SPLRYQBIIXAWSV-RYRKJORJSA-N 415.452 4.563 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 44855361 DXYWFGYPDCIKGT-KNQAVFIVSA-N 410.533 4.765 0 40 HJAB COc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br 54363517 FXCCLWTVZCBOPZ-UHFFFAOYSA-N 411.104 4.565 0 40 HJAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(N2CCC(C)CC2)nc1 58141613 XVGOZYGLOSYILW-UHFFFAOYSA-N 408.933 4.758 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2OCc2ccccc2)cc1 72212118 FMIJBGQEISSLSB-QHCPKHFHSA-N 422.550 4.885 0 40 HJAB C[C@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1ccncc1 72252872 NFPKKWCOBTZYSV-INIZCTEOSA-N 420.900 4.541 0 40 HJAB Cc1ccc(N(Cc2ccc(F)cc2Br)[C@@H]2C=CS(=O)(=O)C2)cc1C 72308572 NYTVKWQTSOXKSA-GOSISDBHSA-N 424.335 4.522 0 40 HJAB O=C(CN1CCC[C@H]1c1ccc(Nc2ccccn2)cn1)Nc1ccc2ncccc2c1 72353206 BAVQKCOVGJHRIH-QHCPKHFHSA-N 424.508 4.544 0 40 HJAB CCOc1ccc(CN2CCC[C@H]2c2cccc(Nc3ncccc3C)n2)cc1CO 72375814 VDVIIUIFCAMUDZ-QFIPXVFZSA-N 418.541 4.757 0 40 HJAB Cc1ccc(C2=NO[C@H](CC3(C(=O)Nc4ccc(C)cc4C)CCOCC3)C2)cc1 72389752 BPRCQANHULCNRA-NRFANRHFSA-N 406.526 4.930 0 40 HJAB CCOC(=O)c1c(SCC(=O)Nc2nccs2)sc2nc(C)c(C)c(C)c12 95117479 CFRLASBNLYPSRQ-UHFFFAOYSA-N 421.569 4.586 0 40 HJAB CCS[C@@H]1CCCC[C@H]1NCc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 97165584 QKNOMCCLQQHJQN-CZUORRHYSA-N 413.490 4.501 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 223035844 BLVITGFILHQYCQ-INIZCTEOSA-N 419.934 4.966 0 40 HJAB Cc1nccn1-c1ccc(CNC(=O)CSCc2ccc(Cl)cc2F)cc1 223121200 LJPOZQKYHHTFGB-UHFFFAOYSA-N 403.910 4.523 0 40 HJAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccccc1C 224000217 RMVDUJDRWDIOKT-QFIPXVFZSA-N 422.550 4.985 0 40 HJAB COC(=O)c1cc(NC(=O)CSCc2ccc(Cl)cc2F)ccc1Cl 224010450 HHZYNAGAEPWPMQ-UHFFFAOYSA-N 402.274 4.791 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)cc1 224690362 DGALRAPYXZHVIM-LJQANCHMSA-N 410.533 4.543 0 40 HJAB Cc1ccc(CN(C(=O)COc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)cc1 224732256 MQACDFQMQDOXAI-OAQYLSRUSA-N 422.569 4.548 0 40 HJAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)N1CCc2ccccc2C1 224880444 VYBMSEWICNVJCW-UHFFFAOYSA-N 411.299 4.622 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cc(C)ccc3C)cc2)c1 225051080 FRRMBLGSEBHZDZ-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCSCc2ccccc2F)c(C)c1 225413586 PKWUTUNYSWLRAH-UHFFFAOYSA-N 406.548 4.531 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 225518879 KJDQDLSJHNJTLL-ZJSXRUAMSA-N 408.586 4.876 0 40 HJAB CC(C)c1nc(Cc2ccc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)cc2)no1 225902116 AIMPRTXYLAWPDI-NRFANRHFSA-N 418.541 4.635 0 40 HJAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)o1 257335687 YLKYPSSNXQZKGK-NRFANRHFSA-N 424.472 4.546 0 40 HJAB CCc1cc(C(=O)N2CCC3(CC2)CO[C@@H]2c4ccc(C)cc4OC(C)(C)[C@H]2C3)no1 257342990 ZQXWZRPEYXSXOT-SIKLNZKXSA-N 424.541 4.717 0 40 HJAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1Cl 409097713 OJIKQNHMQLBQRN-GFQQVXNGSA-N 411.907 4.505 0 40 HJAB CCN1C(=O)S[C@@H](Cc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O 409142086 QLBLIONSHFOTHA-KRWDZBQOSA-N 423.893 4.693 0 40 HJAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C 409170101 SXHDKGQQPJYXDZ-IAQYHMDHSA-N 413.374 4.576 0 40 HJAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccccc1 685836 QIZYGDAYZISWBS-UHFFFAOYSA-N 401.871 4.873 0 40 HJAB Cc1ccc2[nH]c(=O)c(CN(C(=S)NCc3ccco3)C3CCCCC3)cc2c1 883291 HTWYPPXUYLQYJM-UHFFFAOYSA-N 409.555 4.639 0 40 HJAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)NCc3ccccc3)c(=O)[nH]c12 1378208 LQSGTOAMGAJULU-UHFFFAOYSA-N 411.505 4.749 0 40 HJAB O=C(N[C@]1(C(Cl)(Cl)Cl)Oc2ccc(Cl)cc2O1)c1ccccc1F 3175403 PKLOZGYRJMQMST-OAHLLOKOSA-N 411.043 4.704 0 40 HJAB O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1 3227783 RQZXKXWTIOXUES-UHFFFAOYSA-N 401.441 4.596 0 40 HJAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl 3257816 KBGDIQOPTXCXFY-UHFFFAOYSA-N 408.068 4.799 0 40 HJAB Cc1cc(C)n2nc(SCC(=O)c3c(-c4ccccc4)[nH]c4ccccc34)nc2n1 3447046 QOOHTJYFQPHPFC-UHFFFAOYSA-N 413.506 4.864 0 40 HJAB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1ccc2c(c1)OCO2 4162441 RDLTUQLAQPIGMO-UHFFFAOYSA-N 400.390 4.666 0 40 HJAB CCOc1cccc(-c2nnc(SCC(=O)C34CC5CC(CC(C5)C3)C4)n2C)c1 4629087 PHIJQAUBMPSRGR-UHFFFAOYSA-N 411.571 4.758 0 40 HJAB CCOc1cc(OCC)cc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1 4676154 DZXGXDRTQMTGGH-UHFFFAOYSA-N 403.438 4.940 0 40 HJAB CCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 4731416 DPKNQAXWLMHCQO-SANMLTNESA-N 423.516 4.906 0 40 HJAB COc1ccccc1OCC(=O)Oc1cc(-c2ccccc2)c2oc(=O)sc2c1 5426710 FVOLTOGDNZRCIM-UHFFFAOYSA-N 408.431 4.515 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 6392163 RLHNEUNDKIBVOR-UHFFFAOYSA-N 410.823 4.850 0 40 HJAB Clc1ccc(OCc2ccc(-c3nc4c5cn[nH]c5ncn4n3)cc2)c(Cl)c1 6448212 QFNRGBIPWDVTLC-UHFFFAOYSA-N 411.252 4.553 0 40 HJAB O=C(CSc1ncnc2ccccc12)Nc1ccc2c(c1)OC1(CCCCC1)O2 6608536 OEBRQZKQHXDODP-UHFFFAOYSA-N 407.495 4.792 0 40 HJAB CCOc1ccc(C[C@H]2SC(=O)N(Cc3ccccc3Cl)C2=O)c(OCC)c1 6961759 MPOGHFPYRKFYSH-LJQANCHMSA-N 419.930 4.944 0 40 HJAB COc1ccc(OC)c(C(=O)CN(C2=NCCCS2)c2ccc(Cl)cc2)c1 7275080 WPLOYBSEKWXRRB-UHFFFAOYSA-N 404.919 4.539 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COc1ccc(C(C)(C)C)cc1 7823962 AIYZWQMQPSOIDO-UHFFFAOYSA-N 405.542 4.541 0 40 HJAB OC[C@H]1CCCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)C1 8177894 OBHCFRMGLAPSQS-INIZCTEOSA-N 402.523 4.629 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnnn2C2CCCC2)c2ccccc2)c1 8230706 PCKZBRIESFMQQO-FQEVSTJZSA-N 407.543 4.877 0 40 HJAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)C(c1ccccc1)c1ccccc1 8277909 QOYHCJOUFPSLPV-UHFFFAOYSA-N 407.897 4.950 0 40 HJAB CC(C)n1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccco1 8389063 NWNHZKCMKOZNMZ-UHFFFAOYSA-N 410.421 4.869 0 40 HJAB Cc1ccc([C@]2(C)NC(=O)N(Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)C2=O)cc1 8643635 WNKYUTJMNJJUGK-VWLOTQADSA-N 418.493 4.500 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)c1 8810820 CHNKPYUPNJDLQL-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB Cc1nc(-c2ccc(NC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)cs1 9114570 MGGVBGLYTQXCDI-KXBFYZLASA-N 405.523 4.667 0 40 HJAB Cc1c(Cl)c(CSc2nnc(NC[C@H]3CCCO3)s2)nc2ccccc12 9949698 ADAMFMDFILUAOE-GFCCVEGCSA-N 406.964 4.931 0 40 HJAB CC(C)(C)C(=O)N1CCC2(CC1)C[C@]1(CO2)Nc2cc(Cl)ccc2-n2cccc21 12120960 RGCCOYDQVOKPTI-HSZRJFAPSA-N 413.949 4.579 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1Cl 12737932 JJRFGHDLXGIELB-UHFFFAOYSA-N 415.902 4.895 0 40 HJAB O=C(NCc1ccccc1)C1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 12773149 CCZCVPUYBNBLFS-UHFFFAOYSA-N 422.532 4.830 0 40 HJAB CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 12790875 DODLKZWHLRGENL-JOCHJYFZSA-N 408.498 4.756 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3)C2)c2ccccc12 13002122 VBJOBLZBBIOIAD-QUCCMNQESA-N 416.521 4.578 0 40 HJAB O=C(c1ccccc1OC(F)F)N(C[C@H]1CCCO1)c1nc2ccccc2s1 14498442 GFLUGHOOROPMPI-CYBMUJFWSA-N 404.438 4.724 0 40 HJAB Cc1cc(=O)oc2cc(OC(=O)c3nn(-c4ccc(F)cc4)c4c3CCCC4)ccc12 14856896 CKZJTISAZSVFET-UHFFFAOYSA-N 418.424 4.524 0 40 HJAB COc1ccc(C(=O)Nc2nc3ccc4nc(SC)sc4c3s2)cc1OC 16959677 PTCIEASBEMLZPM-UHFFFAOYSA-N 417.537 4.897 0 40 HJAB Cc1noc2nc([C@H]3CCCN(C(=O)Cc4cc(F)ccc4F)C3)cc(C(F)F)c12 19563938 DELDLEPHCYUZMF-LBPRGKRZSA-N 421.394 4.696 0 40 HJAB COc1cc(C)c(CN2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1C 19567292 WWQFYTGAMRRHEE-HYBUGGRVSA-N 423.601 4.823 0 40 HJAB CC(C)n1c([C@@H]2CCCN(C(=O)c3ccc4c(c3)ncn4C)C2)nc2ccccc21 19718629 DXOFMZRLNMSZDH-GOSISDBHSA-N 401.514 4.524 0 40 HJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 22531620 BSXKCNAKZVLYLB-GOSISDBHSA-N 415.946 4.647 0 40 HJAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)CS2 23682272 BXBCNPUTASFPGG-JXFKEZNVSA-N 402.903 4.525 0 40 HJAB COc1c(C)ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1C 31722657 WAYKUZVVKWPSHB-UHFFFAOYSA-N 404.713 4.529 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1c(C)nn(COc2cccc(F)c2)c1C 32609833 PHOADAIQZJDHQB-UHFFFAOYSA-N 403.841 4.590 0 40 HJAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(N2CCc3sccc3C2)nc1 32753655 JVOSCORMKQHKOK-UHFFFAOYSA-N 402.523 4.758 0 40 HJAB CCN(Cc1cccc(NC(=O)c2cc(F)c(F)cc2Cl)c1)C(=O)C(F)(F)F 32832761 PHOMPYMFDONIRK-UHFFFAOYSA-N 420.765 4.781 0 40 HJAB Cc1cc(O)c(C2=Nc3ccccc3N[C@H](c3c[nH]nc3-c3ccccc3)C2)c(=O)o1 36621419 IHKOTDKKFPYQJB-IBGZPJMESA-N 412.449 4.722 0 40 HJAB O=C(/C=C/c1ccccc1OC(F)F)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 36652299 XZLNDNKLTDYWAK-SXAWMYDMSA-N 415.436 4.826 0 40 HJAB Cc1ccc(SCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 39743060 BFVMRCVUDYRXEM-UHFFFAOYSA-N 420.981 4.908 0 40 HJAB Cc1c(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)oc2c1C(=O)CCC2 40129437 QFFDQBWLWAPIJQ-MRXNPFEDSA-N 416.477 4.850 0 40 HJAB COc1cccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)c1 45922566 BBNAXLGNFFNOID-UHFFFAOYSA-N 419.300 4.844 0 40 HJAB O=c1[nH]c(COCC(F)(F)F)nc2ccc(-c3cccc(C(F)(F)F)c3)cc12 63837568 JCFVNLOQFUFANL-UHFFFAOYSA-N 402.294 4.688 0 40 HJAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1ccc(-c2cccc(Cl)c2)o1 71279418 HASNRSMTFDOUFF-OAHLLOKOSA-N 413.861 4.792 0 40 HJAB Cn1cc(CCC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c2ccccc21 96008118 PVGSJFWJTJQDSB-NRFANRHFSA-N 416.443 4.730 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 102207119 SQRUYJZUZUJURP-DFEOGRTESA-N 422.554 4.560 0 40 HJAB COc1cc(OC)cc([C@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(O)=C32)c1 102743909 HDTJTDAIVPSRKZ-JEOXALJRSA-N 424.482 4.777 0 40 HJAB Cc1cc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)ccc1Br 218827944 YYFGIJQJFROHGB-KRWDZBQOSA-N 404.304 4.555 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 222807422 KLNXFDVIROKPNU-HNNXBMFYSA-N 421.368 4.868 0 40 HJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 222974722 JGGDMCORWLXHTI-GOSISDBHSA-N 413.905 4.823 0 40 HJAB Cc1cc(C)cc(N(CC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)c1 223626293 LXNJCGLKRRQAON-UHFFFAOYSA-N 422.506 4.608 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 223700850 VNRZKBWSGFKFDM-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 224429813 AYFFDNRDQLNYSL-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 224770598 BPIPPXDNMOJBQQ-NRFANRHFSA-N 408.586 4.995 0 40 HJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 224956013 PDSLIQHAUAAXLG-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1nc(-c2cccc(Cl)c2)no1 225340992 NKKSZJFJZWPLCH-UHFFFAOYSA-N 410.688 4.946 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 225527802 YAAMOQJMLIPUJH-DENIHFKCSA-N 412.599 4.809 0 40 HJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225689468 QZYRBDFGIZBLAJ-HYBUGGRVSA-N 404.595 4.967 0 40 HJAB Cc1cc(N)c(NC(=O)c2ccccc2Br)cc1N1CCC(C)CC1 226330115 YCRNFAPHQXVLGC-UHFFFAOYSA-N 402.336 4.828 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CN3CCC[C@H](C)C3)cc1)CC(C)(C)O2 260577984 RLBRFBLRJFYDAH-MBSDFSHPSA-N 422.569 4.959 0 40 HJAB O=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1cccc(C(F)(F)F)c1 390826235 GAEMWUCMZHXAEH-HNNXBMFYSA-N 403.472 4.896 0 40 HJAB Cc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c(C)c1 408736528 CEWSOLZLFLTIHD-WIYYLYMNSA-N 412.530 4.741 0 40 HJAB CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccc3F)o2)cc1 409171687 FBPQWYARSIIFRW-UHFFFAOYSA-N 401.463 4.642 0 40 HJAB CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cc2cc(Br)ccc2[nH]1 589571774 CHANKJURYJJRMZ-LJQANCHMSA-N 413.315 4.923 0 40 HJAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1 1889191838 JYMXQTAQXPFGEK-UHFFFAOYSA-N 412.349 4.946 0 40 HJAB COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc1OC 691598 SZVYODNUACTMRW-UHFFFAOYSA-N 411.527 4.807 0 40 HJAB O=C(CSc1nnc(-c2cccnc2)o1)N(C1CCCCC1)C1CCCCC1 872555 JOTJIRVRLHUSMQ-UHFFFAOYSA-N 400.548 4.718 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)CCCC5)c(C)c1 1326971 KNFSSQZUQDJDKU-UHFFFAOYSA-N 423.567 4.565 0 40 HJAB Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 2417586 CGUVAVYGSRWKBY-ZEQRLZLVSA-N 410.452 4.938 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2CC)cc1 2443519 VSMKZGNGEQRMAM-UHFFFAOYSA-N 400.935 4.912 0 40 HJAB Nn1c(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)nnc1C1CCCCC1 2646262 KMZVEDGLDZEMPC-UHFFFAOYSA-N 404.539 4.586 0 40 HJAB O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc(OC(F)F)cc1 2653542 KRBYHERXBVTIPH-UHFFFAOYSA-N 414.503 4.615 0 40 HJAB Fc1ccc(-c2nnc(N3CCN(Cc4ccccc4)CC3)c3ccccc23)cc1F 3210987 FEZCILATBBHRBL-UHFFFAOYSA-N 416.475 4.897 0 40 HJAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H]2COc3ccccc3O2)cc1 3655281 RFRBYTYANALBKI-NRFANRHFSA-N 413.429 4.751 0 40 HJAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccccc1C(F)(F)F 4033152 YSEPNPHDTGFFKU-UHFFFAOYSA-N 412.371 4.676 0 40 HJAB CSc1nnc(-c2sc3cc(C(F)(F)F)cnc3c2-c2ccccn2)n1C 4053002 XIJBSHNUVSXNTK-UHFFFAOYSA-N 407.446 4.895 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc4ccccc4nc3Cl)C2)cc1OC 4142164 WUEUKBDRAVAKAA-LJQANCHMSA-N 409.873 4.603 0 40 HJAB COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2N=CNC2=N3)c1 4291778 GEVQATVEGQLRGU-YADHBBJMSA-N 414.490 4.561 0 40 HJAB C[C@@H](c1nnc(SCCOc2ccc(Cl)cc2)n1-c1ccc(F)cc1)N(C)C 4490715 LFVHUCWIVZEFTN-AWEZNQCLSA-N 420.941 4.854 0 40 HJAB CCOc1ccc(CNc2nc3ccccc3n2CCN(CC)CC)cc1OCC 4625984 IHVZQVCPYMOUAG-UHFFFAOYSA-N 410.562 4.788 0 40 HJAB O=C1/C(=C/Nc2cccc3c2CCCC3)c2ccccc2C(=O)N1c1nccs1 5178642 AFYMJGKWZJNUMU-XMHGGMMESA-N 401.491 4.662 0 40 HJAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 5517789 DXSUATSWNPSAIH-MRXNPFEDSA-N 409.795 4.625 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)NCc1cccs1 5866677 HUWUIAZUYKUCFV-UHFFFAOYSA-N 402.545 4.513 0 40 HJAB O=C(CSc1nnc2n1CCCCC2)N1c2ccccc2Sc2ccccc21 6098402 UWIYOCNRXUUBHK-UHFFFAOYSA-N 408.552 4.926 0 40 HJAB CC1CCN(C(=S)c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)CC1 6348785 RDPVFFYZXKXREL-UHFFFAOYSA-N 402.947 4.765 0 40 HJAB CC[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1 6529878 PVEVCNJJRPZOBL-QFIPXVFZSA-N 408.523 4.644 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1C 6532410 XRXJSGJKFNNXRM-UHFFFAOYSA-N 418.522 4.934 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)n1CCc1ccccc1)c1ccc[nH]1 6788567 AIUPXXIGXIEAPT-UHFFFAOYSA-N 406.486 4.630 0 40 HJAB CCCCn1nnnc1CSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1 6831337 GEJMCWMZIIMEFJ-UHFFFAOYSA-N 419.558 4.630 0 40 HJAB Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(N3CCCC3)cc2)n1 7052849 CJNPKNZECYKDEJ-UHFFFAOYSA-N 404.539 4.783 0 40 HJAB CCn1c(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)nnc1C1CC1 7618192 RYBZAOCHFZCPHF-HXUWFJFHSA-N 420.538 4.850 0 40 HJAB COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NC(=O)Nc4ccccc4)C3)c2C)cc1 8636096 ZDEQODJYCXKQKM-UYAOXDASSA-N 402.498 4.732 0 40 HJAB biogenic,in-vitro COc1cc(C(=S)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(C)cc1 9188142 ZQGWZCWYAADGES-UHFFFAOYSA-N 421.518 4.777 0 40 HJAB Cc1cc2nc(C)c(CCC(=O)Nc3cccc(-c4csc(C)n4)c3)c(C)n2n1 9883644 YWWAACOAWFNHRB-UHFFFAOYSA-N 405.527 4.658 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccn(Cc2ccc(F)cc2)c1=O 10187752 KGPWZAYNUHWQSZ-UHFFFAOYSA-N 424.781 4.960 0 40 HJAB COc1ccc(-c2c(C)c3cc(OS(=O)(=O)c4ccccc4)ccc3oc2=O)cc1 12140310 JHYYMOOYYSEHHG-UHFFFAOYSA-N 422.458 4.545 0 40 HJAB biogenic CC(=O)Nc1cccc(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)c1 12223575 DTGYXSZQRUEOQJ-UHFFFAOYSA-N 419.510 4.816 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1ccccc1 12630067 DYCWVYDKXSBKDV-FQEVSTJZSA-N 422.941 4.645 0 40 HJAB Cc1ccccc1-c1noc(Cn2cnc3scc(-c4ccccc4)c3c2=O)n1 12993547 QXWZRQSBZJZBKW-UHFFFAOYSA-N 400.463 4.532 0 40 HJAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)cc1 13871375 ANTDLULNJXRBKW-QGZVFWFLSA-N 424.570 4.865 0 40 HJAB CCc1ccc(NC(=O)Cn2nc(C3CCCCC3)n(-n3cccc3)c2=S)cc1 16807215 NXEKXBRFOZFWMD-UHFFFAOYSA-N 409.559 4.776 0 40 HJAB COc1cccc(CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[nH]2)c1 16960359 JEYVDJBEDAFYLC-UHFFFAOYSA-N 413.549 4.806 0 40 HJAB Cc1ccccc1OC1CCN(C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 19654775 YIWPCSIGDFWYHR-UHFFFAOYSA-N 403.404 4.574 0 40 HJAB CCOc1ccc2c(c1)c(C(=O)Nc1cnn(Cc3cccc(F)c3)c1)c(C)n2C 19661902 ZQRDFSLULGCZQR-UHFFFAOYSA-N 406.461 4.522 0 40 HJAB CN(C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)C1CCCCC1 20483921 DSCVRICPMHSBSK-UHFFFAOYSA-N 420.962 4.570 0 40 HJAB COc1ccccc1-c1noc(CSc2nc(C(F)(F)F)nc3ccccc23)n1 22249041 JGBHFUJIINBIPC-UHFFFAOYSA-N 418.400 5.000 0 40 HJAB COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1 24226603 XWDDNUQRQSWDRB-UHFFFAOYSA-N 411.104 4.565 0 40 HJAB CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2cccc3ncccc23)cc1 25400633 VFCBODXCCQECGI-UHFFFAOYSA-N 403.511 4.670 0 40 HJAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 25897091 UTLHKNODJQDGBS-RBBKRZOGSA-N 420.559 4.725 0 40 HJAB COC(=O)c1c(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)sc2c1CCCC2 27582344 QYHVAFUYKKUVRK-UHFFFAOYSA-N 410.495 4.938 0 40 HJAB Cc1cccc(Cn2cc(Br)c(NC(=O)c3ccccc3Cl)n2)c1 28228962 AQJCZGDDQOMTAS-UHFFFAOYSA-N 404.695 4.908 0 40 HJAB COc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 30864191 IJQXMCLQULKZDL-ZWKOTPCHSA-N 418.493 4.592 0 40 HJAB COc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1 32578458 KIPLQAOLZAHKEY-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB Cc1sc2nc([C@H](C)SCCC(=O)N[C@H](C)c3ccccc3)[nH]c(=O)c2c1C 32778738 QPCJPDUOWMYFPL-HIFRSBDPSA-N 415.584 4.663 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCCCC[C@H]1c1cccn1C 32841744 OISQYVMLYYYLOF-BEFAXECRSA-N 405.336 4.699 0 40 HJAB O=C(Nc1cccc(NC(=O)c2cccc(OCc3cccs3)c2)c1)NC1CC1 32914439 PZQWXOWBNJQGJS-UHFFFAOYSA-N 407.495 4.863 0 40 HJAB Cc1ccc(OCCN(C)C(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1 33223071 XJLYCDJJEWETCM-UHFFFAOYSA-N 420.484 4.846 0 40 HJAB CC(C)Oc1cccc([C@H](C)NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1 40112822 REZZLOMTXCAXRH-FQEVSTJZSA-N 422.569 4.522 0 40 HJAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1c(-c2ccc(F)cc2)nc2sccn12 40131182 WIHZXXZLQUGIOM-UHFFFAOYSA-N 417.469 4.569 0 40 HJAB CC(=O)Nc1cccc(NC(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)c1 44892884 CCNRWUXHLRKVJA-UHFFFAOYSA-N 413.477 4.817 0 40 HJAB Fc1ccc(OCc2noc(CN3Cc4ccccc4[C@@H](c4ccccc4)C3)n2)cc1 48280305 ONCJWFFNVVVOIA-HSZRJFAPSA-N 415.468 4.935 0 40 HJAB CC(C)c1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 49421759 MMXWBGXQOHPKOR-UHFFFAOYSA-N 406.873 4.785 0 40 HJAB CCc1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C(C)C)c(=O)c32)cc1 65113609 FMPVIPMBBFNMRY-UHFFFAOYSA-N 414.509 4.647 0 40 HJAB Clc1ccc(-c2noc(Cc3nnc(-c4cccc(Br)c4)o3)n2)cc1 65185439 ODOXNNWEFKHQEP-UHFFFAOYSA-N 417.650 4.793 0 40 HJAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(F)c(F)c3)oc12 67295704 RSPWSEFOGFMFJY-VYIQYICTSA-N 421.403 4.908 0 40 HJAB COCc1nc(N(C)Cc2ccc(O)c(OC)c2)c2c(-c3ccccc3)csc2n1 89350929 RZTAUWBHLPOVSP-UHFFFAOYSA-N 421.522 4.855 0 40 HJAB Cc1c(C(=O)Nc2cc(F)c(Br)c(F)c2)cnn1-c1ccccc1F 95984311 JXJGRKATNORNDT-UHFFFAOYSA-N 410.193 4.613 0 40 HJAB CN1CCCN(C(=O)c2cc(-c3csc(-c4cccs4)n3)n3ccccc23)CC1 96154890 HKQLSNLSSSMVTQ-UHFFFAOYSA-N 422.579 4.569 0 40 HJAB CC1CCN(c2ccc3c(-c4ncc(C(=O)NCc5ccco5)s4)noc3c2)CC1 96266600 DEHIQLTYMALDDH-UHFFFAOYSA-N 422.510 4.711 0 40 HJAB Cc1cccc(C)c1Oc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]43)[C@@H]2C(=O)O)cc1 102093622 VJKRAQBZTSCFHW-ILHTXMRTSA-N 403.478 4.803 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 222585772 FBFBZSJFAZERFN-QFIPXVFZSA-N 414.977 4.913 0 40 HJAB O=C(Nc1cccc2ccccc12)c1cn2c3c(cc(Br)cc3c1=O)CC2 223099141 HIAPLIFKDVKUIL-UHFFFAOYSA-N 419.278 4.726 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 223154085 DFGMBVFWVHCQIB-HXUWFJFHSA-N 418.990 4.684 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 223299155 GGIZSYNLPXARSG-HSZRJFAPSA-N 424.585 4.713 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 223317926 XZDYUIAYVXTIRN-OAQYLSRUSA-N 414.977 4.995 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 223596617 AKKDIFPSFWHVBH-DEOSSOPVSA-N 424.585 4.913 0 40 HJAB CCN(Cc1ccc(C(=O)Nc2cccc(C)c2)cc1)S(=O)(=O)c1ccc(C)cc1 224453744 NUFXIEQNGMTPBL-UHFFFAOYSA-N 422.550 4.767 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1cccc3c1CCCC3)CC(C)(C)O2 224960986 FHUZNWRZEHQQTM-IIBYNOLFSA-N 409.526 4.760 0 40 HJAB COc1cc2c(cc1OC)-n1cccc1[C@H](c1ccc(NC(=O)C3CC3)cc1)CC2=O 225381375 SQKQFAGUGQRNSM-SFHVURJKSA-N 416.477 4.561 0 40 HJAB COC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@H](C)C3)cc2)CCC(C)CC1 225640571 RSVIQMZCZKDQAI-PGPPMQCXSA-N 402.579 4.577 0 40 HJAB O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1conc1-c1ccccc1 225870214 OKUHNHOKNLTQDS-UHFFFAOYSA-N 406.873 4.775 0 40 HJAB COC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(OC)c1 226337131 KQCRVJXGMNBEDO-VMPITWQZSA-N 411.679 4.876 0 40 HJAB Cc1ccc(COc2c(Cl)cc(/C=C3/C(=O)N(C)C(=S)N3C)cc2Cl)cc1 409041296 UOHXCMHDEDGQHK-YVLHZVERSA-N 421.349 4.910 0 40 HJAB Cc1nc(-c2ccc(C(=O)Nc3ccccc3I)cc2)cs1 409086479 ZSIFMRXDKMGXQO-UHFFFAOYSA-N 420.275 4.975 0 40 HJAB CC(C)CCOC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@H]1c1ccccc1 1322386 SIEQNYRGGIAZML-RTBURBONSA-N 417.299 4.706 0 40 HJAB biogenic CC(C)C(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccc(Cl)cc1)N2 2421112 UGTOXIVUUDKUPL-ROUUACIJSA-N 413.884 4.811 0 40 HJAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1 2633482 HBVIRPOPLIFNHY-UHFFFAOYSA-N 402.494 4.995 0 40 HJAB COc1cc(OC)cc(C(=O)O[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1 2634414 RRORKMXDAXBBLT-HSZRJFAPSA-N 419.477 4.857 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccc(C)cc2)ns1 2917461 QCKYUDDSIRFLHU-UHFFFAOYSA-N 405.932 4.906 0 40 HJAB O=C(c1ccc(C(=O)N2CCCc3ccccc32)s1)N1CCCc2ccccc21 3178605 HMLLXAPFHIVKFF-UHFFFAOYSA-N 402.519 4.934 0 40 HJAB C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N[C@H]1CCCc2ccccc21 3457684 PJRIJCMZGCGMOG-KDOFPFPSSA-N 410.568 4.956 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(C2CCCCC2)n1-n1cccc1 4518687 WUTYINKLILQJKL-UHFFFAOYSA-N 409.559 4.732 0 40 HJAB Cc1ccc(Nc2nc(C(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1C 4675300 GKEIWCLQBKQKFD-UHFFFAOYSA-N 410.518 4.605 0 40 HJAB COc1ccc(NC(=S)N2CCC(Nc3cccc(C(F)(F)F)c3)CC2)cc1 4710573 SRAHXOMUDYJFFE-UHFFFAOYSA-N 409.477 4.987 0 40 HJAB CC1(C)Cc2ccccc2C(=C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)N1 4729167 GGOOTBJEOARJMC-UHFFFAOYSA-N 411.505 4.599 0 40 HJAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(O)c2)n2c(nc3ccccc32)N1 4734799 OIASCHIURAPUGF-JOCHJYFZSA-N 414.440 4.809 0 40 HJAB Cc1oc2cc3oc(=O)c(CC(=O)NCc4ccc(Cl)cc4)c(C)c3cc2c1C 4744109 KRLZLJJJBPWFSP-UHFFFAOYSA-N 409.869 4.977 0 40 HJAB O=C(COC(=O)CSc1ccc2ccccc2c1)NC12CC3CC(CC(C3)C1)C2 5444764 YLVQYGZVFLSFJT-UHFFFAOYSA-N 409.551 4.560 0 40 HJAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccccc1OCCOc1ccccc1 8158262 DTHZMUAXJXRMBC-UHFFFAOYSA-N 418.493 4.535 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 8289332 AMMSHRHPOTYZMH-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB C[C@@H](C(=O)Nc1cccc2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8709598 AIWFZJWTBLAVSI-HTAPYJJXSA-N 402.494 4.775 0 40 HJAB Cc1ccc(C2=NN(c3nc(-c4cccc(O)c4)cs3)[C@](O)(C(F)(F)F)C2)cc1 8770012 LYNQCUMAOIZJKL-LJQANCHMSA-N 419.428 4.689 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCc1nn2c(-c3ccc(F)cc3)nnc2s1 8992579 ZDBNCCQSWCFUFY-UHFFFAOYSA-N 418.501 4.580 0 40 HJAB O=C(Oc1ccc2ccccc2c1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 9425848 PJCIQZXXUJRMNM-XMMPIXPASA-N 421.452 4.653 0 40 HJAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccccc1C(=O)c1cccs1 10219261 SCYAHLVOHZIJCU-UHFFFAOYSA-N 404.535 4.505 0 40 HJAB CCOc1ccc(-c2ccc(OCCNC(=O)c3ccc4ccccc4c3)nn2)cc1 10336186 YXAKTXZWYOPXAX-UHFFFAOYSA-N 413.477 4.504 0 40 HJAB CC(C)c1nnc(SCCS(=O)(=O)c2cc(Cl)ccc2Cl)n1C1CC1 10928995 DMPCJXWTMLDIRX-UHFFFAOYSA-N 420.387 4.609 0 40 HJAB Cc1ccc(OCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c(C)c1 11667210 WOJRGJLIWWDVBK-UHFFFAOYSA-N 403.482 4.645 0 40 HJAB Nc1c(C(=O)N2CCOCC2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 12112589 AJFVWYFGKGQFSG-UHFFFAOYSA-N 415.518 4.685 0 40 HJAB COc1ccc(CCNc2ncc(-c3ccncc3)c(-c3cccs3)n2)cc1OC 12222631 JMCBLNNIAGGHBI-UHFFFAOYSA-N 418.522 4.939 0 40 HJAB Cc1cc(C(=O)N(C)Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)no1 12679334 RZENZCUITRFIAI-UHFFFAOYSA-N 420.900 4.820 0 40 HJAB Brc1ccc(-c2nn3c(Cc4c[nH]c5ccccc45)nnc3s2)cc1 13731016 ARNOKYWIUMRUKI-UHFFFAOYSA-N 410.300 4.687 0 40 HJAB Cc1ccc(C(=O)O)c(NC(=O)CSc2ccc(Cl)cc2)c1Br 13943539 AGBOVVWLSQDAKD-UHFFFAOYSA-N 414.708 4.840 0 40 HJAB O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CC=C(c2ccc(F)cc2)CC1 14018904 LBSRFQYSXDXYSD-UHFFFAOYSA-N 422.422 4.904 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 14155644 GYLUYRIKLBVZTP-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nc(C)cs2)cc1 14241709 DOEOHCDPGXSSIY-FQEVSTJZSA-N 423.563 4.930 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1CNCc1c(C)nn(Cc2ccccc2)c1C 15582100 GYPKKXWGBSPLDR-UHFFFAOYSA-N 413.569 4.700 0 40 HJAB COc1ccc(CN2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)cc1 19565024 VWJOFTFLIWGXEM-UHFFFAOYSA-N 405.420 4.938 0 40 HJAB Cc1cc(Cc2ccc(F)cc2)cc(C2CCN(C(=O)C[C@@H]3CCCCO3)CC2)n1 19691833 CUDPDYRRLFHKNR-QHCPKHFHSA-N 410.533 4.785 0 40 HJAB CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 20482585 DELHTFQTXHZEKK-KRWDZBQOSA-N 420.475 4.945 0 40 HJAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1c(C)cccc1C 21176727 KIBIUWCIZQBRLB-UHFFFAOYSA-N 420.534 4.680 0 40 HJAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cccc(I)c1 21577783 LOPDCQRAMWUSIF-UHFFFAOYSA-N 424.257 4.673 0 40 HJAB O=C(NCCc1ccccc1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 22072253 KAABMIUNLRIZAC-UHFFFAOYSA-N 401.388 4.696 0 40 HJAB O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccc(-n2ccnc2)cc1 24050701 MIVUUSHPUKWFFM-UHFFFAOYSA-N 404.373 4.633 0 40 HJAB Cc1ccc(C(=O)Nc2c(C)nn(Cc3ccc(Br)cc3)c2C)s1 27921572 CLBNHRCVZNQOPB-UHFFFAOYSA-N 404.333 4.933 0 40 HJAB O=C(Nc1ccccc1N1CCCCCC1)C1CCN(C(=O)c2cccs2)CC1 29847846 RYZCCQGUWPHUGB-UHFFFAOYSA-N 411.571 4.619 0 40 HJAB O=C(NCc1cccc(COCc2ccco2)c1)c1ccc(Br)cc1F 32915066 ICULUBLTDXDIHP-UHFFFAOYSA-N 418.262 4.828 0 40 HJAB COc1ccccc1NC(=O)c1ccccc1OCc1nc(-c2ccc(C)cc2)no1 33012885 ATDNABXOUDJHLD-UHFFFAOYSA-N 415.449 4.885 0 40 HJAB CCOc1ccc(NC2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)cc1 35647556 UZIANVPNQCEPDH-LFIBNONCSA-N 403.301 4.930 0 40 HJAB Cn1cc(-c2nn(Cc3ccc(Cl)cc3Cl)c(-c3cnn(C)c3)c2Cl)cn1 36611599 ZWADLNIPCKWBCK-UHFFFAOYSA-N 421.719 4.693 0 40 HJAB O=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2ccccc2)CC1 39768364 PZXDFRAZOOXAKI-UHFFFAOYSA-N 407.739 4.953 0 40 HJAB Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)CC1 40112890 KNLOQBSUJZGZGS-LJQANCHMSA-N 408.542 4.512 0 40 HJAB O=C(CCc1nc(Cc2ccccc2)no1)N1CCCc2cc(C(F)(F)F)ccc21 40132888 SGTBGOWRKMKNKX-UHFFFAOYSA-N 415.415 4.591 0 40 HJAB CCc1nn2c(nnc3c(=O)n([C@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccccc1 40388370 CGVGSAQYWHRPKT-GJYPPUQNSA-N 401.514 4.666 0 40 HJAB CSc1cccc(NC(=O)CN2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 58268419 PUTHEAICFVTEBG-LJQANCHMSA-N 408.527 4.624 0 40 HJAB Cc1ccccc1-c1cc(NC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)on1 58279377 SWFGNHHYWLPHHL-MRXNPFEDSA-N 401.470 4.938 0 40 HJAB Cc1cc2nc(C)c(CCC(=O)N[C@@H](C)c3cc(F)c(Cl)cc3Cl)c(C)n2n1 65623113 ACMKLILCWCUYBP-LBPRGKRZSA-N 423.319 4.910 0 40 HJAB Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3cccc(F)c3)c(=O)c12 67260392 JUZJFJPODFLYBW-UHFFFAOYSA-N 424.482 4.732 0 40 HJAB Cc1cc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)ccc1Cl 67293407 RMPMSXKWWVUSEV-LVWGJNHUSA-N 405.841 4.980 0 40 HJAB O=C(c1ccccc1)N1CCCCC[C@@H]1C1CCN(c2ncnc3ccsc23)CC1 70004726 ZHLIVKQRPLVVED-OAQYLSRUSA-N 420.582 4.993 0 40 HJAB Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)COc3c(C)cccc3C)n2)n1 72375572 UVPYTJTYVAENGI-IBGZPJMESA-N 422.554 4.949 0 40 HJAB Cc1cc(C(=O)COC(=O)CSc2ccc(Cl)cc2)c(C)n1Cc1ccco1 95946955 ZKEJLEVZQXUVNK-UHFFFAOYSA-N 417.914 4.918 0 40 HJAB CCOC(=O)/C=C(/Nc1cc2c(cc1C)cc(-c1ccccc1)n2C)C(=O)OCC 100247024 CINGARQMOIASGC-HMMYKYKNSA-N 406.482 4.576 0 40 HJAB COc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Br)cc2)C1=O 106724308 PNFXFCHNKKNADV-YBEGLDIGSA-N 404.285 4.694 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 222497481 BOLBPSTXOYYDEB-GBXCKJPGSA-N 424.585 4.577 0 40 HJAB CCCC[C@@H](CC)CNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 223824147 WMHKDRSPZNPIBV-LJQANCHMSA-N 416.587 4.599 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(C)cc1 223950341 JTZWLBZOTRQPMF-HSZRJFAPSA-N 422.550 4.985 0 40 HJAB COc1ccc(NC(=S)NCCSCc2ccccc2F)c2cccnc12 225414934 MZHWPHDMXDOANE-UHFFFAOYSA-N 401.532 4.602 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 225525010 CMXSDGNYKHBSMZ-FYYLOGMGSA-N 424.585 4.713 0 40 HJAB CCCCc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)[nH]n1 257257895 KRNWITUFPISBMM-NRFANRHFSA-N 410.493 4.838 0 40 HJAB C[C@@H](NC(=S)Nc1nc(N2CCCC[C@H]2C)cc(C(F)(F)F)n1)c1ccccc1 260715407 NZRKTHNEIRDGHJ-ZIAGYGMSSA-N 423.508 4.922 0 40 HJAB CCOc1cc(CNc2ccc(C)c(C)c2)cc(I)c1OC 409113977 JYPNXGAUFCNYCE-UHFFFAOYSA-N 411.283 4.927 0 40 HJAB CCOc1ccc(Br)cc1C[C@H]1SC(=O)N(Cc2ccccc2)C1=O 409139267 BMYPSQRBQBIZNL-QGZVFWFLSA-N 420.328 4.655 0 40 HJAB Cc1cccc(NC(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)c1 409153551 IFWPSCTXYUKQOK-UHFFFAOYSA-N 409.511 4.611 0 40 HJAB CC(C)c1ccc(OCc2nnc(SCC(=O)N[C@H](C)c3ccccc3)o2)cc1 409163460 RWEIFZNMFTXDLB-MRXNPFEDSA-N 411.527 4.742 0 40 HJAB CC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 409230115 BQFDDLUUWDBLIF-XDHOZWIPSA-N 406.825 4.900 0 40 HJAB O=C(c1nccs1)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 2037846828 YSRANCAVLPKFEA-AWEZNQCLSA-N 423.929 4.526 0 40 HJAB Cn1c(SCc2ccc(C(=O)Nc3ccccc3F)cc2)nnc1-c1ccncc1 624850 YVSHXRHBPPXZLP-UHFFFAOYSA-N 419.485 4.561 0 40 HJAB O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)OC1CCCCC1 651189 KYKNSGKWZVXJRW-UHFFFAOYSA-N 423.538 4.814 0 40 HJAB Cc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2c3c(sc2n1)CCC3 715690 QAJBSPSYFLGVIB-UHFFFAOYSA-N 418.488 4.834 0 40 HJAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(N[C@@H](CC)CO)ncnc32)cc1 1447730 PCOCZDLXNHUKPS-SFHVURJKSA-N 402.498 4.669 0 40 HJAB CC[C@H](C)COC(=O)c1c(N)n([C@@H](C)c2ccccc2)c2nc3ccccc3nc12 2220860 PGKNGIDFLQGFTC-HOTGVXAUSA-N 402.498 4.979 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(C[C@@H]1CCCO1)C3=O 2401849 MAWUZNWSDVGOLX-WMZHIEFXSA-N 417.505 4.949 0 40 HJAB CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccc(Cl)cc1 2652370 LSIDPQGONKWYTP-UHFFFAOYSA-N 417.918 4.611 0 40 HJAB Cc1cc(SCC(=O)OCC(=O)c2ccc(F)cc2)c(C)cc1Br 3220072 UVWLHDCDIHTNMN-UHFFFAOYSA-N 411.292 4.723 0 40 HJAB Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cncc(Br)c2)cc1 3356508 XNNOMYWKYHNIGH-UHFFFAOYSA-N 410.271 4.657 0 40 HJAB Cc1c(-c2ccccc2)oc2c(C(=O)N(C)CCOc3ccccc3)cccc2c1=O 3358365 WCRQGROLKYFFRA-UHFFFAOYSA-N 413.473 4.919 0 40 HJAB COc1ccc(CNC(=O)Cc2c(C)c3c(cc(C)c4c(C)c(C)oc43)oc2=O)cc1 4090008 MXUDFDXSDRILSO-UHFFFAOYSA-N 419.477 4.640 0 40 HJAB biogenic Cc1cccc(C)c1OCc1nnc(SCC(=O)NC2CCCCC2)n1C(C)C 4816387 PGQHTHIJOLFUFU-UHFFFAOYSA-N 416.591 4.596 0 40 HJAB C[C@H]1CCC[C@@H](C)N1CCNc1nc2ccccc2c2nc(-c3ccccc3)nn12 5055224 QDGKQVCGNWUIFT-HDICACEKSA-N 400.530 4.619 0 40 HJAB COc1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccccc2OC)cc1 6642427 GRPDIUHLLNROLW-CYEYPOFGSA-N 421.537 4.612 0 40 HJAB biogenic CN(C)C(=O)[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1ccccc1 6847069 YRPJPEGKYNHICK-LJQANCHMSA-N 408.571 4.701 0 40 HJAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cccc(OCC)c2)cc1 6935616 VSWMHSODXPOQSN-UHFFFAOYSA-N 404.466 4.504 0 40 HJAB CCCOc1c(Br)cc(C(=O)N[C@@H]2CCOc3ccccc32)cc1OC 7215964 NWEAJHREQHUTQN-MRXNPFEDSA-N 420.303 4.500 0 40 HJAB COc1ccc(-c2csc(NC(=O)CSCc3nc4ccccc4[nH]3)n2)cc1 7641537 SZPBGBSGTYJSSQ-UHFFFAOYSA-N 410.524 4.567 0 40 HJAB CCCNc1nnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)s1 7793700 AYCYQHWMBPBPIX-UHFFFAOYSA-N 420.560 4.522 0 40 HJAB Cc1ccccc1-n1c(C)nnc1S[C@H](C(=O)N1CCCCC1)c1ccccc1 8189528 LPSWDMOCWCGTED-NRFANRHFSA-N 406.555 4.730 0 40 HJAB O=C(Nc1ccccc1Br)C1CCN(Cc2ccc(Cl)cc2)CC1 9063385 ZPYVOCKNNYDAST-UHFFFAOYSA-N 407.739 4.953 0 40 HJAB Cc1nc(-c2ccc(CNC(=O)c3ccccc3NC(=O)c3ccco3)s2)cs1 9254428 ASUCGHMCGBJLTN-UHFFFAOYSA-N 423.519 4.955 0 40 HJAB Cc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc(C)c(Cl)c4)nn23)cc1 9415073 IJRNTPNNUWUNHM-UHFFFAOYSA-N 423.929 4.792 0 40 HJAB COc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)c(OC)c1 10220407 GDIDIUMOXRIRKN-UHFFFAOYSA-N 422.872 4.652 0 40 HJAB CCCCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c2ccccc12 11613988 XDANCDKHLHNBDF-UHFFFAOYSA-N 413.495 4.908 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1 12342278 CPASJJOPQKQGQE-UHFFFAOYSA-N 419.868 4.608 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 12936976 DOTAWEKLSPEVFN-FQEVSTJZSA-N 420.465 4.526 0 40 HJAB Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4ccc(F)cc4Cl)cc3)nn2)n1 13009705 QVCDLIBBEGNTKQ-UHFFFAOYSA-N 422.851 4.759 0 40 HJAB O=c1c2ccccc2nc(SC(c2ccccc2)c2ccccc2)n1CCCO 13012774 AMGIRTSZCMOJCG-UHFFFAOYSA-N 402.519 4.661 0 40 HJAB COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C1=O 13590879 CIZSTSGGCAXLQN-JQOLTRQRSA-N 409.485 4.938 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3)cc2)cc1 14399980 DSUSWSAJGBPYNS-GOSISDBHSA-N 424.522 4.510 0 40 HJAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(C)c(C)c1 17087612 PKPFVINMEPTXNY-UHFFFAOYSA-N 407.333 4.510 0 40 HJAB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccncc2C)cc1 19320953 RKMNRCNVZBFEIU-UHFFFAOYSA-N 417.553 4.814 0 40 HJAB CC[C@H](c1ccc(F)cc1)n1cc(C(=O)Nc2ccc(C)cc2-c2cc(C)n[nH]2)nn1 19660097 QPVAJXUZTBAUSC-JOCHJYFZSA-N 418.476 4.676 0 40 HJAB Cc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20104682 RWVLULXUANNLBV-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1cc(C)c(NC(=O)CN2C(=O)c3cccc4c(Cl)ccc(c34)C2=O)c(C)c1 20344426 ZCXMYFZOVRRSIX-UHFFFAOYSA-N 406.869 4.653 0 40 HJAB O=C(Cc1ccccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20509525 KAWKCDWMVKIQFM-UHFFFAOYSA-N 404.941 4.816 0 40 HJAB O=C1Nc2ccccc2CC[C@H]1Sc1nnc(-c2ccc(Br)cc2)o1 20739694 CFNXNQCVGNRUPP-OAHLLOKOSA-N 416.300 4.545 0 40 HJAB COc1ccc(/C=C/C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1OC 30301491 IUUNJHDREBCXFD-WUXMJOGZSA-N 405.416 4.927 0 40 HJAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)C1(c2cccc(Cl)c2)CCCC1 32159016 LGBLQGUWBCYVKO-UHFFFAOYSA-N 410.945 4.703 0 40 HJAB CC(C)c1c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cnn1-c1cccc(Cl)c1 32795904 DDLCAICYOGKHAC-UHFFFAOYSA-N 422.916 4.794 0 40 HJAB CCOc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCC(C)C 35329254 CLZOMGQXEBVGBX-UHFFFAOYSA-N 412.599 4.613 0 40 HJAB C[C@@H](CCc1ccco1)NC(=O)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F 36616031 SUAXTQKNCGYXLB-HNNXBMFYSA-N 418.472 4.781 0 40 HJAB CC(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3-c2ccccc2F)c1 36616959 QRZCKGMMLQDFIT-UHFFFAOYSA-N 414.440 4.892 0 40 HJAB Cc1ccc(CCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 39762524 QZCICHUYQDPDPT-UHFFFAOYSA-N 402.941 4.749 0 40 HJAB O=C(Nc1ccccc1)c1ccc(CS(=O)(=O)[C@H]2CCCc3ccccc32)cc1 40127612 YACMALPNFWEGMH-QHCPKHFHSA-N 405.519 4.931 0 40 HJAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCC(C)C)ccc2Cl)cc1 40160825 XHWNRVRBENDARF-UHFFFAOYSA-N 410.923 4.524 0 40 HJAB CC1CCN(c2nc(O)c3c(=S)n(-c4ccc(Cl)c(Cl)c4)cnc3n2)CC1 40385725 QURWMJXDTLFOGS-UHFFFAOYSA-N 422.341 4.794 0 40 HJAB Cc1cccc(CN2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)c1 44855373 FLBDHGNGJGWXPA-HSZRJFAPSA-N 406.570 4.934 0 40 HJAB C[C@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc2c(c1)CC(=O)N2 46207138 KHVSKFTXCWGLRG-LBPRGKRZSA-N 414.383 4.951 0 40 HJAB O=C(c1ccc(COc2ccccc2F)o1)N1CCC[C@H]1c1nc2ccccc2[nH]1 47073716 DCOTUULFSUKDDB-IBGZPJMESA-N 405.429 4.851 0 40 HJAB CC(=O)c1cccc(Nc2c(C(=O)N3CCC[C@@H](C)C3)cnc3nc(C)ccc23)c1 49005346 IGJRFLLDSZJRAG-OAHLLOKOSA-N 402.498 4.757 0 40 HJAB O=C(COC(=O)c1ccc(F)c(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl 51354021 JXNYHSJZBWMBOU-UHFFFAOYSA-N 410.150 4.947 0 40 HJAB C[C@H](Nc1nc(-c2cccnc2)nc2sc3c(c12)CC[C@@H](C)C3)C(=O)NC(C)(C)C 58003981 OZATVCHJPPNZBM-KGLIPLIRSA-N 423.586 4.593 0 40 HJAB COC(=O)CC[C@H](C)[C@@H]1CC[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 64220356 GRQROVWZGGDYSW-AFAXMTHHSA-N 406.607 4.566 0 40 HJAB biogenic Cc1cc(C)cc(-c2nnc(Cc3nc(-c4ccc(Br)cc4)no3)o2)c1 65185462 INUYWZAOTSSSMJ-UHFFFAOYSA-N 411.259 4.757 0 40 HJAB Cc1ccccc1CSc1ncc2c(n1)-c1ccc(Cl)cc1N(C)S2(=O)=O 67260190 SJFMZHFZLCRHQG-UHFFFAOYSA-N 417.943 4.536 0 40 HJAB O=C(CSc1ncnc2c(-c3cccc(F)c3)c[nH]c12)Nc1cc(F)ccc1F 71328166 ZFEDTKZCNBCLNG-UHFFFAOYSA-N 414.412 4.773 0 40 HJAB O=C(CCc1ccccc1)N1CCC[C@H](c2cccc(-c3ccc(CO)cc3)n2)C1 72349030 YTISWMGEODEGRR-QHCPKHFHSA-N 400.522 4.580 0 40 HJAB COc1ccc(Cc2nc3ccccc3n2C[C@H](O)COc2ccc(C)cc2C)cc1 82087047 SMYRNSMIAZDFPA-NRFANRHFSA-N 416.521 4.692 0 40 HJAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N(CCc1cccs1)Cc1ccoc1 90612376 WZADPQAPMPLVTD-UHFFFAOYSA-N 409.486 4.766 0 40 HJAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102726878 KHHCYVQXMCAFRN-YPAWHYETSA-N 418.880 4.700 0 40 HJAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)COc1ccc(Br)cc1Cl)C2 103211029 LQXUXTBFWOJPLA-PZDGAKPMSA-N 400.744 4.812 0 40 HJAB CCn1ncc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)c1C 118916087 VKRFPVDWWWRUGS-DLCSFNEDSA-N 410.602 4.889 0 40 HJAB CCc1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 197697227 QNNNSAFOUAGWGE-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB Cc1cc(C)c(OCC(=O)n2c(C)c(C=O)c3ccccc32)c(Br)c1 216811757 CPIHIYPDERZBMU-UHFFFAOYSA-N 400.272 4.861 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 222544898 ZWZHGHKQQKYKOV-OAQYLSRUSA-N 400.950 4.523 0 40 HJAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC 222577311 ZLUTUYGNNNJSBN-JBBXEZCESA-N 403.935 4.732 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 223091929 DVDACWMMKFYUTL-GOSISDBHSA-N 400.950 4.525 0 40 HJAB Cc1ccc(OCCCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223118693 QREYBMAZDZMMSK-NRFANRHFSA-N 424.585 4.529 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 223331011 CTNXDHHJSJMYLF-INIZCTEOSA-N 421.368 4.870 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223811431 YDLOBZMKJSGMII-NRFANRHFSA-N 406.570 4.712 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC3CCCCC3)ccc2C)c(C)c1 223973391 JDFXHEITAFHGNL-UHFFFAOYSA-N 414.571 4.723 0 40 HJAB Cc1ccc(-c2ccc(/C=C(\Sc3nnc(C)o3)C(=O)O)o2)c(Br)c1 408631126 FCVWWYCDQVDDCZ-NVNXTCNLSA-N 421.272 4.927 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 409361604 DHWQWJWPXHPUNM-LJQANCHMSA-N 422.550 4.606 0 40 HJAB O=C(c1ccc[nH]1)c1cc(Cl)ccc1NC(=O)N1CCc2c(F)ccc(F)c2C1 537251860 WYNDLIGFMUPXSW-UHFFFAOYSA-N 415.827 4.768 0 40 HJAB Cc1cc(=O)c(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cn1C1CC1 550151003 STWUTLWFJWPHEC-NRFANRHFSA-N 411.505 4.535 0 40 HJAB CCN1CCCC[C@@H]1CCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 2037850028 IHFCHJPPZMARAK-HXUWFJFHSA-N 420.509 4.689 0 40 HJAB COc1ccc2c(c1)N(S(=O)(=O)c1ccc(Br)cc1)C(C)(C)C=C2C 855400 JXCPZUWKTJZTAZ-UHFFFAOYSA-N 422.344 4.849 0 40 HJAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccccc1C(F)(F)F 948825 WJKGRQBKXLBWKL-UHFFFAOYSA-N 409.458 4.930 0 40 HJAB COc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 952089 YXTWJZZTRLUWNK-UHFFFAOYSA-N 410.857 4.618 0 40 HJAB C[C@@H]1CCCN(C(=O)CSc2ncnc3c(-c4ccc(Cl)cc4)nsc23)C1 1358692 QZDDOKXBTQFKRE-GFCCVEGCSA-N 418.975 4.757 0 40 HJAB Cc1ccc(NC(=O)Nc2snnc2C(=O)Nc2cccc(Cl)c2C)cc1 1417014 ZPBROLOXYIDQSM-UHFFFAOYSA-N 401.879 4.705 0 40 HJAB COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1 2250172 IRJGTLBCRVKZEP-DQEYMECFSA-N 422.488 4.808 0 40 HJAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccn2)cc1 2363860 KCQVIBQOGFZGDD-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB O=C(Nc1ccc(Br)cn1)c1ccc(-c2cc3ccccc3oc2=O)cc1 2417108 XDIXPWYCPYUQDM-UHFFFAOYSA-N 421.250 4.870 0 40 HJAB COc1ccc(CNC[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 3412342 OCOYTIKNDKJCNO-HSZRJFAPSA-N 405.538 4.551 0 40 HJAB COc1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1Cn1nc(C)c(Cl)c1C 4029378 BQYWCJJQPLWGRS-HSZRJFAPSA-N 420.944 4.927 0 40 HJAB biogenic COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 4288488 IPNVCDOQPBUWFK-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nncn1-c1ccccc1OC 4895046 BPGWTMSQRAOJNM-JKSUJKDBSA-N 410.543 4.909 0 40 HJAB Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1cccs1)N1NC=NC1=N2 5055149 VTYVIMHYEBTTCM-SFTDATJTSA-N 402.454 4.691 0 40 HJAB C[C@H](c1nnc(SCC(=O)C(C)(C)C)n1-c1ccc(F)cc1)N1CCCCC1 5280630 XGKFVSNPLDYGQT-OAHLLOKOSA-N 404.555 4.661 0 40 HJAB Clc1cc(CSc2nnc(NCc3ccccc3)s2)cc2c1OCCO2 5281952 DTZKKDVPAACRCP-UHFFFAOYSA-N 405.932 4.867 0 40 HJAB S=C(NCc1ccc(CNC(=S)Nc2ccccc2)cc1)Nc1ccccc1 5338397 OXALLJPIEQSPNR-UHFFFAOYSA-N 406.580 4.660 0 40 HJAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 6414853 DSKWRBCBNYTZJV-PXNSSMCTSA-N 406.555 4.721 0 40 HJAB C[C@H](NC(=O)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1)c1ccccc1 6522084 JLDNBSINLCOTIM-RDPSFJRHSA-N 400.522 4.858 0 40 HJAB CCOC(=O)c1cccc(NC(=O)CSc2nc3cc4ccccc4cc3[nH]2)c1 6721154 ZAMWDRSWGMYEDP-UHFFFAOYSA-N 405.479 4.624 0 40 HJAB aggregator CCOc1ccc(C[C@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 6964426 JHNLIMRUYQJACY-GOSISDBHSA-N 405.903 4.949 0 40 HJAB CCCc1nnc(S/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)C(=O)O)[nH]1 7342293 ZTDCOZAPVKQNIX-UYRXBGFRSA-N 409.511 4.862 0 40 HJAB C[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1 7789771 MLNKKEJAAFTILR-HNNXBMFYSA-N 417.538 4.731 0 40 HJAB COC(=O)c1c(-c2cccs2)csc1NC(=O)c1cc2ccccc2oc1=O 7996269 JOYAIWINBZKYFP-UHFFFAOYSA-N 411.460 4.622 0 40 HJAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc2c(c1)CCC2 8156499 SFLAOLIDIBTMAN-OAHLLOKOSA-N 404.539 4.753 0 40 HJAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)[C@H]1COc2ccccc2C1 8843829 VFNMNEJQIJRMKT-OAHLLOKOSA-N 418.440 4.943 0 40 HJAB CC(C)n1c(SCc2cc(Cl)c3c(c2)OCCO3)nc2ccccc2c1=O 8942702 XAHNABRTVOIFDO-UHFFFAOYSA-N 402.903 4.694 0 40 HJAB CCc1ccc2oc(C(=O)Nc3nonc3-c3ccc4c(c3)CCCC4)cc(=O)c2c1 9420088 XENPQXVKVSVHDU-UHFFFAOYSA-N 415.449 4.537 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nc2ccccc2c1=O 9987535 JRMLDBKAQBSIGF-UHFFFAOYSA-N 419.909 4.720 0 40 HJAB CCOC(=O)N1CCc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C1 10694044 RPEBRIUUKCLRGW-UHFFFAOYSA-N 421.931 4.778 0 40 HJAB COCCn1c(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc21 11490316 AWTBUJGPFVSGOC-CYBMUJFWSA-N 423.460 4.821 0 40 HJAB COc1cc(C(=O)NCc2nc3ccccc3[nH]2)cc(Cl)c1OCCC(C)C 12559101 AWJMJCLTQBIIFF-UHFFFAOYSA-N 401.894 4.580 0 40 HJAB COc1ccc(-c2nc(C(=O)N(C)Cc3ccc(SC)cc3)cs2)cc1OC 12799292 WNBIPTCUCRCVQY-UHFFFAOYSA-N 414.552 4.821 0 40 HJAB CS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)sc2c1 13135072 SEZLMWSDJNEVIV-UHFFFAOYSA-N 422.531 4.548 0 40 HJAB O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cncc(Br)c1 13731599 PXRUJYLCXCJHAQ-UHFFFAOYSA-N 410.227 4.610 0 40 HJAB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1C 14088183 XFQSTHJVYVWKMF-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB COc1ccc(-c2c(C)nn3c(=O)cc(CSc4ccc(Cl)cc4)[nH]c23)cc1 14163618 DEYRRULOJJQEKT-UHFFFAOYSA-N 411.914 4.952 0 40 HJAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccnn1Cc1ccc(Cl)cc1 15641598 LEQFEXLTUZFYAI-UHFFFAOYSA-N 408.914 4.890 0 40 HJAB CCOc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 18209649 LZWNHSISNSUVEN-RHSMWYFYSA-N 420.391 4.787 0 40 HJAB COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1ccccn1 19322092 PKCZVGWQGPBLGB-UHFFFAOYSA-N 403.526 4.506 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 20411768 DHMOVZAAOOERRG-UHFFFAOYSA-N 404.875 4.776 0 40 HJAB Cc1ccc(NC(=O)CSc2nccn2-c2ccccc2)c(Br)c1 27485756 ZGAXHSYXUWLVGD-UHFFFAOYSA-N 402.317 4.674 0 40 HJAB COc1ccc(-c2csc3nc(SCC(=O)Nc4ccccc4)nc(N)c23)cc1 32095463 FMZXHBOXRSRXOF-UHFFFAOYSA-N 422.535 4.680 0 40 HJAB CC[C@H](NC(=O)CCNC(=O)c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 32983840 MAIJFJINULTSNB-SXYIGIQMSA-N 402.966 4.571 0 40 HJAB CC1=C[C@@H](CNCc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 35442654 KWLOTQBVXUGRAV-VABKMULXSA-N 417.557 4.714 0 40 HJAB biogenic,in-vitro CC(C)Cc1ccc(C(=O)C2CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)cc1 36392016 CHCWYRWYXNMKHZ-UHFFFAOYSA-N 421.537 4.668 0 40 HJAB COc1ccc(C(=O)C2CCN([C@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)cc1 40037392 YDMKMPJFQMBPQC-QGZVFWFLSA-N 405.498 4.710 0 40 HJAB CCN(Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1)C(=O)C(F)(F)F 40088010 CEHDRHQDJMUIMQ-UHFFFAOYSA-N 418.337 4.869 0 40 HJAB CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 40104797 DXUKFNOFEXMLBR-UHFFFAOYSA-N 406.313 4.893 0 40 HJAB CC(=O)c1ccc(N2CCN(C(=O)c3cc(F)ccc3-c3ccccc3)CC2)cc1 40140623 KBNDOEZFAALUFG-UHFFFAOYSA-N 402.469 4.658 0 40 HJAB CC1(C)C[C@@H](NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc2O1 44918112 DVBXOJVCDQKCPK-WIYYLYMNSA-N 412.961 4.971 0 40 HJAB CCN(CC)[C@@H](CNC(=O)NC[C@@H](c1ccsc1)N(CC)CC)c1ccsc1 48286094 IDBSRZHYYUBMAW-PMACEKPBSA-N 422.664 4.575 0 40 HJAB CCc1cccc(C)c1NC(=O)Cn1c(-c2cccc(Cl)c2)nc(C)c(C)c1=O 57528137 UMETUOXORMVSQG-UHFFFAOYSA-N 409.917 4.690 0 40 HJAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)c1 59227242 BWWMZWQNFGELPQ-CYBMUJFWSA-N 410.823 4.967 0 40 HJAB Cc1cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)ccc1F 67293053 JKPDEBXZQXPPJM-IFMSOTMUSA-N 414.864 4.675 0 40 HJAB Cn1ccc2c(C(=O)N3CCc4[nH]c5ccc(OC(F)(F)F)cc5c4C3)cccc21 71287183 DBJCKVWZZPMHCC-UHFFFAOYSA-N 413.399 4.757 0 40 HJAB Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(C(=O)C(C)(C)C)CC3)c12 72336000 HEPDINPQIFZQAP-UHFFFAOYSA-N 412.578 4.969 0 40 HJAB COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 72349588 XTZUZMVPXJVXFI-IBGZPJMESA-N 404.485 4.845 0 40 HJAB Fc1ccc(OCCc2cc([C@H]3CCN(Cc4ccnc5ccccc45)C3)n[nH]2)cc1 72371551 IOZBWZLCSISFHB-IBGZPJMESA-N 416.500 4.708 0 40 HJAB COc1cccc(CN(C(=O)Cn2cc(C)nc2C)C23CC4CC(CC(C4)C2)C3)c1 95444428 ZEJCMZLYWYGTGY-UHFFFAOYSA-N 407.558 4.506 0 40 HJAB CC(C)n1cnc2c(-c3cccnc3)nc(C3CCN(C(=O)c4ccoc4)CC3)cc21 96100016 IFFGNRPQRUBJDX-UHFFFAOYSA-N 415.497 4.687 0 40 HJAB COc1cc(OC)c(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(Cl)cc23)cc1Cl 100851744 UDZBDQATSBDCBL-YJYMSZOUSA-N 409.269 4.780 0 40 HJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219334922 PITNSXPPNVLWNR-IBGZPJMESA-N 413.905 4.823 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219617047 FEZTWFFPBLFKBO-QGZVFWFLSA-N 420.296 4.859 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)NC(C)C)cc1 222890420 ANIAJAPADXMZHR-DEOSSOPVSA-N 424.585 4.522 0 40 HJAB COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 222932167 NJLWNRPMBNWXFS-FGZHOGPDSA-N 406.555 4.509 0 40 HJAB COc1ccc(CNC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)cc1 223082170 WMFWHIYEPIUXFI-UHFFFAOYSA-N 414.505 4.527 0 40 HJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223130318 YAXIPNUWBYNBFW-JOCHJYFZSA-N 414.977 4.852 0 40 HJAB CC(C)c1ccccc1OCCNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 223826280 CUSSSVWTAGNGAN-HXUWFJFHSA-N 414.977 4.871 0 40 HJAB CCOc1ccc(S(=O)(=O)N(CC)c2ccc(OCc3ccccc3)cc2)cc1 224596312 HCCAQHJNXWTUSO-UHFFFAOYSA-N 411.523 4.880 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 225740072 VBSAGUXKTPXHES-OAHLLOKOSA-N 401.388 4.939 0 40 HJAB Cc1c(Br)ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C[C@@H]3C[C@H]2c2ccccc2)c1C 227626361 QFCWVRAAUSWKHF-QIBQCXCESA-N 424.338 4.995 0 40 HJAB CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCC2)CC1 257201936 AJRQOAUFMXICAJ-UHFFFAOYSA-N 424.610 4.893 0 40 HJAB CCOc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 257222082 DRUWDVFPQUTCFQ-LJQANCHMSA-N 411.546 4.515 0 40 HJAB CCOc1cc(COc2ccc(C(=O)O)cc2OC)ccc1OCc1ccccc1 408539042 DTWCFQYAFQGPMA-UHFFFAOYSA-N 408.450 4.950 0 40 HJAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1 408556993 MGARFYODYVQXAY-UHFFFAOYSA-N 424.472 4.863 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1OC 408727212 PFILZHGUOAFMAL-GIJQJNRQSA-N 418.902 4.772 0 40 HJAB CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N(C)C1=S 409037332 NCFXLTFJCNJPCZ-MFOYZWKCSA-N 407.322 4.602 0 40 HJAB Cc1ccc(NC(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)cc1 409153711 MSYCNLQGEOHFGF-UHFFFAOYSA-N 409.511 4.611 0 40 HJAB COc1ccc2oc(C(=O)Nc3ccc(I)c(C)c3)cc2c1 409186681 GKEWNZXYFAWFON-UHFFFAOYSA-N 407.207 4.607 0 40 HJAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c(C)c1 409374396 OMQTWMPETJFMFR-LICLKQGHSA-N 414.914 4.940 0 40 HJAB Cc1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 682395 KAKHZVZFKUXOBF-NSHDSACASA-N 413.109 4.926 0 40 HJAB Cc1cc(C)cc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 835328 KOGODGQQJIDOSC-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2ccc(C)cc2)c1C 871566 DMHBMPXLCKEUHL-UHFFFAOYSA-N 422.506 4.965 0 40 HJAB COc1cc(CNc2nc3ccccc3n2Cc2ccccc2)cc(OC)c1OC 975739 LYCRDNRHOCJWEI-UHFFFAOYSA-N 403.482 4.723 0 40 HJAB CCc1ccc(NC(=S)N2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1 1349593 ZGFMQKWYIIPUEE-UHFFFAOYSA-N 408.596 4.892 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(CCCOC(C)C)C3=O 2421393 OBCWXZJLHITRFO-NRFANRHFSA-N 409.457 4.601 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cccc(Cl)c1 2447155 AIPHRSMPZDYYDQ-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB Cc1noc(C)c1CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 4500309 HEZUNEGOWXUXRV-UHFFFAOYSA-N 406.467 4.560 0 40 HJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4593059 WNJXBOGCYMJUMP-MZYFGMLRSA-N 423.553 4.840 0 40 HJAB Cc1[nH]c2ccc(F)cc2c1CCNC(=S)Nc1ccc(Br)cc1 4905010 WKJDRJPUPXFEAB-UHFFFAOYSA-N 406.324 4.907 0 40 HJAB COc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)NC2CCCC2)cc1 4927727 DQNYPQRUQDXZRA-UHFFFAOYSA-N 407.539 4.903 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 4958775 HUSUPQYUWHVZAH-UHFFFAOYSA-N 413.905 4.768 0 40 HJAB O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)C1=CC=CC1 4966801 SVXKAJIKDLIATM-DEOSSOPVSA-N 418.512 4.841 0 40 HJAB COc1cc2ccccc2cc1C(=O)N(CCN(C)C)c1nc2ccc(C)cc2s1 5115042 ZMUKEKXXBRHBML-UHFFFAOYSA-N 419.550 4.975 0 40 HJAB Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCCC3)cc2)c(Br)c1 5612719 MOLIJYZUWPYXIZ-UHFFFAOYSA-N 403.320 4.684 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1Cl 6390966 SUMFQICCQMBFIJ-UHFFFAOYSA-N 400.887 4.528 0 40 HJAB Cc1cc(C2=NN=C(Nc3ccc(F)cc3F)SC2)c(C)n1Cc1ccco1 6671556 YJHXHZWGYJTLTJ-UHFFFAOYSA-N 400.454 4.943 0 40 HJAB Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 6959445 NEFUIOPMTFKAGG-UHFFFAOYSA-N 420.582 4.878 0 40 HJAB O=C(Nc1ccc(OC(F)F)cc1)c1ccccc1OCc1cn2ccccc2n1 7318979 GUXSCVUGATUQJQ-UHFFFAOYSA-N 409.392 4.767 0 40 HJAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 7987068 OPFDMEYDCSYHJE-SFHVURJKSA-N 410.564 4.793 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccccc2OC)sc2c1CCCC2 8050515 LGNGHVXWMXIATG-HNNXBMFYSA-N 417.527 4.608 0 40 HJAB CS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 8406741 KYIICBDXTXXULU-UHFFFAOYSA-N 402.475 4.558 0 40 HJAB Clc1cccc(-n2ncc(-c3nnnn3-c3ccccc3)c2-c2cccs2)c1 8702057 QGPDBXUSPVNSHA-UHFFFAOYSA-N 404.886 4.897 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccccc1Cl 9477534 YTTWNLNYDALQKH-UHFFFAOYSA-N 424.913 4.971 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2C)cc1 10264449 YKPBETBROOTFGU-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB CCN(C(=O)CSc1nnc(-c2cc3ccccc3o2)n1CC)c1ccccc1 10675257 SEGOXKVFCDEACD-UHFFFAOYSA-N 406.511 4.856 0 40 HJAB COc1cc(OC)c(C2=CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c(OC)c1 11918525 BVQYKYAYEMUHNS-UHFFFAOYSA-N 411.542 4.545 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1ccncc1)N(Cc1cccc(C)c1OC)CC2 12240831 LDFBPGOZGXZKQX-XMMPIXPASA-N 404.510 4.564 0 40 HJAB COc1ccc(CCC(=O)Nc2nc(-c3cccnc3)cs2)cc1Br 12540631 ZXEPJBCNDBPZFZ-UHFFFAOYSA-N 418.316 4.548 0 40 HJAB C[C@H]1CCN(C(=O)CSc2nc(-c3ccccc3F)n[nH]2)c2ccccc2S1 12568438 PQGODQCUCAEYQA-ZDUSSCGKSA-N 414.531 4.620 0 40 HJAB Cc1ccc(-n2c(SCc3ccc(-n4cccn4)cc3)nnc2N2CCCC2)cc1 12568995 PDDVQXJXHWQSPI-UHFFFAOYSA-N 416.554 4.654 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 13165342 ZCJMZMKGDCDUAZ-UHFFFAOYSA-N 424.378 4.754 0 40 HJAB COc1ccccc1-c1cc2c(SCC(=O)Nc3c(C)cccc3C)nccn2n1 16842101 VUZJBACRDYGIBN-UHFFFAOYSA-N 418.522 4.753 0 40 HJAB CC1CCN(c2nc(Nc3ccc(F)cc3)c3cnn(-c4ccccc4)c3n2)CC1 17246110 ZPSAFJSKOILSNL-UHFFFAOYSA-N 402.477 4.935 0 40 HJAB O=S(=O)(Nc1nc2ccccc2nc1NCCC1=CCCCC1)c1cccs1 17247578 AGAIIWPSSIYHPU-UHFFFAOYSA-N 414.556 4.795 0 40 HJAB Cc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2ccc3c(c2)OCO3)cc1 18245946 GINWZNNPOTUXQY-VHXPQNKSSA-N 419.458 4.535 0 40 HJAB CCCc1ncc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cn1 19525771 PTTYWFKAYKNPKY-VWLOTQADSA-N 403.526 4.594 0 40 HJAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CC23CCC3)C1 19528812 VGJILEQHACZUOZ-NBGIEHNGSA-N 422.594 4.503 0 40 HJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cc2ccccc2o1 20152385 WZMAZKGYKMPNHH-UHFFFAOYSA-N 406.463 4.620 0 40 HJAB CC1=C(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@@H](C)NN1Cc1ccccc1C 20418487 AZBRNLAOVDMZNY-OAHLLOKOSA-N 422.916 4.674 0 40 HJAB CCc1n[nH]c(=S)n1NCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 22110520 UVIGFIHQKUIOIF-UHFFFAOYSA-N 422.913 4.627 0 40 HJAB Cc1ccc(-c2cnc(CCC(=O)NC[C@@H](c3ccccc3)N3CCCC3)o2)cc1C 23742272 FLWSAJZMUTXHNN-QHCPKHFHSA-N 417.553 4.844 0 40 HJAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1(C)C 24602155 VFPGQEPIQSGMFQ-ZBFHGGJFSA-N 415.887 4.641 0 40 HJAB CCN(CC)[C@H](CNC(=O)COc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 28290542 DMOSHJBGZPSBTP-JOCHJYFZSA-N 400.538 4.701 0 40 HJAB Cc1cccc2sc(NC(=O)c3ccc(COc4ccc5c(c4)OCO5)o3)nc12 28304348 NSQHFMMLLICJIJ-UHFFFAOYSA-N 408.435 4.758 0 40 HJAB O=C(COc1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 29778856 BIZVYSKROBIGJV-KRWDZBQOSA-N 408.281 4.507 0 40 HJAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H](Sc1ccccc1)c1ccccc1 31039919 HHZZBLAZIKQRDO-QFIPXVFZSA-N 420.534 4.534 0 40 HJAB Cc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccc(F)cc3)n2)cc1 33324966 MTQDOSFODACYTA-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB COc1ccccc1NC(=O)CSc1nc2ccccc2n1Cc1ccc(F)cc1 35289694 YHGNYWZUNUODJU-UHFFFAOYSA-N 421.497 4.963 0 40 HJAB COc1ccc(NC(=O)CCc2cccc(F)c2)cc1NC(=O)c1cccc(F)c1 36390673 HNNFPBFSYQTACO-UHFFFAOYSA-N 410.420 4.797 0 40 HJAB CCOc1ccc([C@@H](NC(=O)CSCc2c(C)noc2C)c2ccccc2)cc1 40089223 DDQJQIHNBNRYTE-QHCPKHFHSA-N 410.539 4.829 0 40 HJAB CC[C@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(OC)cc1 44936297 VGZVQMMDIABBTC-QFIPXVFZSA-N 400.950 4.828 0 40 HJAB Cc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)cc(-c2ccccn2)n1 49007149 FDLLSGDNAGKJAS-UHFFFAOYSA-N 404.417 4.597 0 40 HJAB O=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCC[C@@H]1Cc1ccccc1 58392220 VDLBIWPDOHKJLG-HSZRJFAPSA-N 411.505 4.761 0 40 HJAB COc1ccccc1-n1c(SCc2cc(F)cc(F)c2)nc2ccccc2c1=O 67259549 NVNKKJSFGMBWFK-UHFFFAOYSA-N 410.445 4.965 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cc(F)ccc3F)oc12 67293545 HJVRUGHHDGSPTQ-ROMGYVFFSA-N 407.376 4.599 0 40 HJAB O=C(Cc1c[nH]c2cc(F)ccc12)N(CCN1CCCC1)Cc1ccc(Cl)cc1 72277504 XZKTZHGCTAKGEB-UHFFFAOYSA-N 413.924 4.628 0 40 HJAB Nc1c(Br)cc(-c2nc3cc(Cl)cnc3o2)cc1Br 78406881 NSLUXIWPHVDBBX-UHFFFAOYSA-N 403.461 4.650 0 40 HJAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 101061831 HHCOPXVNGAMPHL-KAJWEHKCSA-N 400.906 4.861 0 40 HJAB CCOc1ccc(Cn2c(=S)[nH]c3c(sc4ncccc43)c2=O)cc1OCC 101275683 VNQMIJMQWPHDHD-UHFFFAOYSA-N 413.524 4.514 0 40 HJAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220569893 AZXSPEHIIYOHSK-OAQYLSRUSA-N 416.587 4.612 0 40 HJAB Cc1ccc(CN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 222782961 GKMOFHKLYOPGHM-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 223299099 GGIZSYNLPXARSG-QHCPKHFHSA-N 424.585 4.713 0 40 HJAB Cc1ccc(-c2nnc(NS(=O)(=O)c3cc(Cl)ccc3Cl)s2)cc1 224404119 VSVKABGNZYDXMG-UHFFFAOYSA-N 400.312 4.621 0 40 HJAB CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(SC)cc1 224985579 XEKNLYWHEBAPAT-UHFFFAOYSA-N 400.363 4.695 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1 225459062 JHJDGFXUPSGJIL-UGKGYDQZSA-N 412.599 4.642 0 40 HJAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)c2c(OC)cccc12 257207569 BIIPMKGOTGDQDR-FCPNIKPMSA-N 423.553 4.876 0 40 HJAB CC1(C)[C@H](NC(=O)c2ccc3nc[nH]c3c2)[C@@]23CCO[C@H](c4ccccc4)[C@H]2C[C@@H]1C3 257247894 JBBHLIIPBQTBRK-MMMUJPEDSA-N 415.537 4.875 0 40 HJAB O=C(COc1ccccc1F)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257336073 YNAYBAHMZBEGKN-IBGZPJMESA-N 414.864 4.800 0 40 HJAB CCOc1c(I)cc(CNc2ccc(CC)cc2)cc1OC 409113294 HISGHGGPIPCUIM-UHFFFAOYSA-N 411.283 4.873 0 40 HJAB Cc1ccc(-c2nn(CC(=O)N3CCCc4ccccc43)c(=O)c3ccccc23)cc1C 503590799 CNTINHOOQLGEOT-UHFFFAOYSA-N 423.516 4.660 0 40 HJAB Cc1ccc(CN2C(=O)CC[C@]23CCCN(c2ncc4sccc4n2)CC3)cc1 585100607 PKEVEDFXLSEDEW-QHCPKHFHSA-N 406.555 4.551 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 646539 QKPDZKMZTWBXRN-GFCCVEGCSA-N 419.428 4.825 0 40 HJAB Cc1ccc(-n2c(C)nc3c(Br)cc(Br)cc3c2=O)cc1C 676755 AAAVKHFVBVRXEQ-UHFFFAOYSA-N 422.120 4.836 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 869912 DKVMXEOSSKAWFZ-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1nnc([C@@H]2CCCO2)s1 959534 VITPXVFGZLQLMP-QHSLDKKCSA-N 407.495 4.621 0 40 HJAB CCc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3OC)C3CCCC3)cc2c1 4230978 QAFDMUIKTYTYCF-UHFFFAOYSA-N 404.510 4.684 0 40 HJAB Cc1ccc(-n2nnc(C(=O)Nc3ccc(Br)cc3)c2C)cc1Cl 4315639 YKHSUSOLMNMUAB-UHFFFAOYSA-N 405.683 4.552 0 40 HJAB Cc1ccccc1NC(=O)C1(N(Cc2ccco2)C(=O)c2cccnc2)CCCCC1 4682419 VJJYORGFWPDNJT-UHFFFAOYSA-N 417.509 4.967 0 40 HJAB CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N(C)c2ccccc2)s1 4843432 KQCLAKVTTOLPSX-AWEZNQCLSA-N 414.556 4.824 0 40 HJAB COc1ccc(-c2nnc(SCc3cccc(Br)c3)o2)cc1OC 5019632 RBKITRKLOFTVIC-UHFFFAOYSA-N 407.289 4.809 0 40 HJAB COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)Cc3ccccc3)nc12 5142400 LTCMBPQTBPAGJL-UHFFFAOYSA-N 403.507 4.784 0 40 HJAB Oc1ccc2c(c1)Oc1ncn3nc(-c4ccc(F)cc4)nc3c1[C@H]2c1ccco1 5346519 ILHSGQCJXQODEN-GOSISDBHSA-N 400.369 4.515 0 40 HJAB O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)NC1CCCCC1 5602799 ZOGUWPDMONWXGU-UHFFFAOYSA-N 407.923 4.595 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2Cl)NC(=O)N1 5943854 CUEFCVWNOSHKHW-INIZCTEOSA-N 409.795 4.625 0 40 HJAB Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)cs2)c1 6681299 HPSYZTISRUXZGS-UHFFFAOYSA-N 418.515 4.581 0 40 HJAB Cc1cccc(OCCCCn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)c1 6753091 KTSOTSGRXIIKMB-UHFFFAOYSA-N 407.558 4.909 0 40 HJAB Cc1ccccc1NC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1 6813452 RESVVXAJGQHFAK-UHFFFAOYSA-N 404.495 4.527 0 40 HJAB COc1ccc(CN(C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 7668281 SBBQAVBUIBKNBH-UHFFFAOYSA-N 404.466 4.674 0 40 HJAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@@H]1c1cccc(F)c1 8023004 ZKLZNQXYCVOGKL-OTOIZHKDSA-N 423.484 4.619 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 8471274 XSIKGHMAKFUYNJ-UHFFFAOYSA-N 408.841 4.631 0 40 HJAB Clc1cc(CSc2nnc(Cc3cccs3)n2C2CC2)cc2c1OCCO2 8777500 UOSBDLWNNUJXIW-UHFFFAOYSA-N 419.959 4.982 0 40 HJAB N=c1oc2c(Br)cc(Br)cc2cc1-c1nc2ccccc2[nH]1 8990044 GVEZOZKWTDLIQF-UHFFFAOYSA-N 419.076 4.981 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2nc(SCc3ccccc3)ncc2Cl)cc1 9304418 URGGUPQOHBZJLP-UHFFFAOYSA-N 412.902 4.633 0 40 HJAB CCc1ccccc1NC(=O)c1c(N)c(C(=O)c2cccc(OC)c2)n2ccccc12 9316878 GQZTZTOXMXPQRP-UHFFFAOYSA-N 413.477 4.576 0 40 HJAB Cc1sc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc1-c1ccccc1 9581727 FAKSZVOZIHABLF-HNNXBMFYSA-N 411.914 4.764 0 40 HJAB Cn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 9633898 JFHOCWZDOCCNMK-UHFFFAOYSA-N 422.735 4.873 0 40 HJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1Cl 9665564 VAGGNQHEMKRMSF-UHFFFAOYSA-N 400.935 4.663 0 40 HJAB CC(=O)N1CCCN(C(=O)c2oc3ccccc3c2CSC2CCCCC2)CC1 9884430 ONOCWAVFMOFXNI-UHFFFAOYSA-N 414.571 4.693 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)n2nnc3sc(-c4ccccc4)cc3c2=O)cc1Cl 9971159 JERBJTGZOPDGSH-CYBMUJFWSA-N 424.913 4.682 0 40 HJAB CC(C)Oc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 10331772 VXZISHFMKAKUQM-UHFFFAOYSA-N 410.495 4.527 0 40 HJAB Cc1nc(NC[C@@H](c2c(F)cccc2Cl)N(C)C)c2c3c(sc2n1)CCC3 13040022 RWGWHSBAODFTEA-HNNXBMFYSA-N 404.942 4.996 0 40 HJAB CCOC(=O)c1oc2ccccc2c1COC(=O)/C=C/c1ccc(OCC)c(OC)c1 13042512 KCMSFWVJSCTFON-ACCUITESSA-N 424.449 4.773 0 40 HJAB C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1ON(c1ccccc1)[C@@H]2c1ccccc1 13595689 JRYISFBJRDAFHH-ZFGGDYGUSA-N 418.880 4.781 0 40 HJAB CC[C@@H](C(=O)Nc1cccc2ccccc12)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716140 FFXVRHFIWMZVPB-QFIPXVFZSA-N 410.539 4.640 0 40 HJAB COc1cccc(OCCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1 16902459 SEYUOYMAIOZJJP-SFHVURJKSA-N 421.541 4.628 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c(C)c1 17026012 WEEVEWKGGGBHBN-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccccc1Br 17092573 WXIRAGOONPXLPK-UHFFFAOYSA-N 421.250 4.502 0 40 HJAB COc1ccccc1OCC(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 17252713 XLIYGKVKWAPLRC-UHFFFAOYSA-N 410.282 4.538 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)Cc1cccc(Cl)c1Cl 17917366 QTSFBZQEPRGVLH-UHFFFAOYSA-N 416.308 4.637 0 40 HJAB COc1ccc(S[C@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 20040293 UMELCFFGDJNOKH-OAHLLOKOSA-N 424.488 4.543 0 40 HJAB CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 20061520 RPYIDFQRUYXABD-UHFFFAOYSA-N 414.571 4.765 0 40 HJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 20151645 JIEOVGPCVUMVAZ-UHFFFAOYSA-N 424.522 4.698 0 40 HJAB O=C(O)COc1ccc(NC(=O)c2ccc(F)cc2)cc1-c1nc2ccccc2s1 20157997 KXGPPVMNWBKNJE-UHFFFAOYSA-N 422.437 4.818 0 40 HJAB COc1ccc(NC(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)cc1 20541118 RSRCOPZZLODLQB-UHFFFAOYSA-N 402.857 4.993 0 40 HJAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN(CCc1cccs1)C3 20624903 DNENICZNFLUQAU-UHFFFAOYSA-N 419.502 4.925 0 40 HJAB biogenic CCn1cc(C(=O)N[C@@H](C)c2cccc(Br)c2)c(=O)c2cc(C)ccc21 22234792 HWYIPQKXWMUNFV-AWEZNQCLSA-N 413.315 4.583 0 40 HJAB O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc(-c2nc3ccccc3o2)cc1 22283716 BWUGOJWNBDYGDY-UHFFFAOYSA-N 424.460 4.624 0 40 HJAB COc1cccc(C(=O)Nc2ccccc2-c2nc(COc3ccccc3)no2)c1 22459722 SQYIMHHLNFLAGE-UHFFFAOYSA-N 401.422 4.577 0 40 HJAB O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccccc1Oc1ccccc1 22930698 ASYUXXGLQZRXHH-UHFFFAOYSA-N 415.537 4.625 0 40 HJAB C[C@H](OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)c1c[nH]c2ccccc12 23070447 SNMLBOZQFSKAGN-AWEZNQCLSA-N 418.474 4.910 0 40 HJAB CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1 24767546 ZGIYDCYBUVYRAX-YLJYHZDGSA-N 407.510 4.826 0 40 HJAB Cc1ccc(C)c(-n2c(-c3cccc(Cl)c3)nn(CN3CCOCC3)c2=S)c1 25357226 WPVOONRDOPYGCD-UHFFFAOYSA-N 414.962 4.630 0 40 HJAB COc1cc(C(=O)Nc2ccccc2N2CCc3ccccc3C2)cc(OC)c1OC 25798360 LSCXJNUTGYYUBT-UHFFFAOYSA-N 418.493 4.527 0 40 HJAB CC[C@H](C)c1ccc([C@@H](NC(=O)CCc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 26391001 CKHUIVLMMMWKLF-XDHUDOTRSA-N 405.542 4.883 0 40 HJAB O=C(NC1CC1)c1ccc(CN(C(=O)c2csc(-c3ccsc3)n2)C2CC2)cc1 26897791 BIEZOCJXAWJRRP-UHFFFAOYSA-N 423.563 4.569 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-n2cc(Br)cn2)cc1 27917936 ITLPKFYCWVEVLS-UHFFFAOYSA-N 406.667 4.549 0 40 HJAB O=C(CN(Cc1ccccc1)C1=NCCCS1)c1ccc(Br)cc1 28527269 ZERXPVURZOHAHF-UHFFFAOYSA-N 403.345 4.627 0 40 HJAB CCn1nnc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)n1 32617146 HLGUYPHQBMDSIF-UHFFFAOYSA-N 412.708 4.844 0 40 HJAB CC[C@H](C)N(Cc1ccccc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 32678986 UVORJUJWQACHSZ-JLVIMGNISA-N 404.554 4.766 0 40 HJAB CCOc1ccc(CC(=O)Nc2cc(C)nn2-c2cccc(Br)c2)cc1 32832096 XTPRNCITWSNUSU-UHFFFAOYSA-N 414.303 4.523 0 40 HJAB COc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccccc4C)n3)c2)cc1 33327283 IBXFSPWKWZOQRT-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB COc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccc(C)cc4)c3)no2)cc1 33327396 WQFPNHVOAAKKCF-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB COC(=O)c1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 38755928 SXFADSKPCVPIKV-UHFFFAOYSA-N 407.491 4.897 0 40 HJAB CSc1nnc(CCCNC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)n1C1CCCC1 40012229 RRDBQOZCOQAIDN-NBAITMJHSA-N 414.575 4.594 0 40 HJAB CN1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 43732342 OTUKDDLHXSNQFC-LQNXUBFPSA-N 422.937 4.777 0 40 HJAB O=C(NCc1cccc(Br)c1)c1cc(-c2cccc3ccccc23)[nH]n1 44839269 DQIQLCRROBGJML-UHFFFAOYSA-N 406.283 4.922 0 40 HJAB NC(=O)c1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)cc1Cl 46241779 MINCDWDOQYMWTQ-UHFFFAOYSA-N 410.823 4.908 0 40 HJAB C[C@@H](OC(=O)c1[nH]c2ccccc2c1Cl)C(=O)Nc1ccc(Br)cc1 46767464 QOWROGTVCIENOW-SNVBAGLBSA-N 421.678 4.768 0 40 HJAB COc1ccc(CC(=O)N2CCC(Oc3nc4c(C)cccc4s3)CC2)cc1C 49432049 JUIGKTVWGVLSOS-UHFFFAOYSA-N 410.539 4.534 0 40 HJAB CCCCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2ccsc2c1=O 57426397 IGEYZUSTCXFSBL-UHFFFAOYSA-N 401.557 4.606 0 40 HJAB Cc1cc(F)ccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1 67293025 VWRSNGIFDIACCM-IFMSOTMUSA-N 414.864 4.675 0 40 HJAB COc1ccc(Cn2cc(C(=O)Nc3cccc4[nH]ccc34)c3ccccc3c2=O)cc1 70666374 WZFNLDIRQXHVCE-UHFFFAOYSA-N 423.472 4.792 0 40 HJAB biogenic CCc1nnsc1C(=O)N1CCC[C@H](c2cc(Cc3ccccc3C)cc(C)n2)C1 72354186 IEAXXEOAULPPHD-FQEVSTJZSA-N 420.582 4.723 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)cc1C 101094193 YVAOXQNKBIXUQR-UHFFFAOYSA-N 412.511 4.565 0 40 HJAB CCOc1ccccc1NC(=O)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 219243886 DGINYDBYUPITSB-FQEVSTJZSA-N 400.500 4.526 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C 223267827 JYBGHIJEYIBIMA-QFIPXVFZSA-N 424.585 4.713 0 40 HJAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)c(C)cc21 223358295 SBQQTIUZJJTDCX-UHFFFAOYSA-N 424.478 4.516 0 40 HJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)c(OC)c1 224796926 XYKXVPOEVSGXDN-VXKWHMMOSA-N 422.554 4.658 0 40 HJAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC(C)CC3)o2)c(OC)c1 224935927 ZXODSWIGJKITCQ-UHFFFAOYSA-N 406.482 4.898 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 225094533 YHGJIAQFCWCULV-VQTJNVASSA-N 412.599 4.728 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 225552021 JTOKVRHODSNRLA-MRXNPFEDSA-N 421.368 4.868 0 40 HJAB COC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@H](C)C3)cc2)CCCCCC1 225630824 LAIWDOQICIXCTR-PMACEKPBSA-N 402.579 4.721 0 40 HJAB O=C(O)c1ccc(-c2ccc(Cl)c(NC(=S)NC(=O)C3CCCCC3)c2)o1 226351745 PQIQNVIESYMVDH-UHFFFAOYSA-N 406.891 4.692 0 40 HJAB O=C(NCC1(c2ccsc2)CCCC1)c1ccccc1I 238942844 WDJNDULFQDMTSU-UHFFFAOYSA-N 411.308 4.595 0 40 HJAB COc1cc(C)ccc1OCC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257267518 MHQACRNJJRPLGU-OAQYLSRUSA-N 420.509 4.715 0 40 HJAB CCOC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccccc2)c(C)s1)c1ccccc1 408979324 MMDIJTUTVKWPIG-SFHVURJKSA-N 409.511 4.935 0 40 HJAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1=O 409009175 BVTWMBXLSDICJI-RBYWHNRPSA-N 424.522 4.847 0 40 HJAB CC(C)n1nccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)[C@@H]2Cc1ccccc1 2037784260 UTJCESUCDICFCU-CAIUVPPLSA-N 420.601 4.553 0 40 HJAB Cc1ccc(OC(=O)[C@H](C)Oc2ccc(Br)cc2Br)cc1 642707 DBCUNFLDVBBGQG-NSHDSACASA-N 414.093 4.893 0 40 HJAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc3ccccc23)n1C 899444 DEGJBRVDTTXKNK-HNNXBMFYSA-N 418.522 4.763 0 40 HJAB Cc1ccc(S(=O)(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)cc1 1016814 VMZQVCXTCUVIGG-QFIPXVFZSA-N 412.461 4.813 0 40 HJAB O=C(c1ccc2ccccc2c1)c1cn(-c2ncc(C(F)(F)F)cc2Cl)nn1 1403860 KHXGPWLODIEJOW-UHFFFAOYSA-N 402.763 4.719 0 40 HJAB Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(F)c2)sc1C 2249079 HWTBRHLDRUOQQZ-GOSISDBHSA-N 406.438 4.755 0 40 HJAB O=C1CN(c2ccc(Cl)cc2Cl)C(=O)CN1c1ccc(Cl)cc1Cl 2281594 BCVBVKIBPBPIGO-UHFFFAOYSA-N 404.080 4.680 0 40 HJAB Cc1ccccc1NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 3225843 RVRRLVJYRGLKMR-UHFFFAOYSA-N 417.490 4.705 0 40 HJAB COc1cc(/C=C/C(=O)NCc2ccc(Cl)cc2Cl)ccc1OC(F)F 3254409 YJJWFOSCXMWBPR-XVNBXDOJSA-N 402.224 4.933 0 40 HJAB Cc1ccc2nc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)sc2c1 3313161 YQCVFPMCUULGTI-HXUWFJFHSA-N 415.518 4.585 0 40 HJAB CCN(c1ccc(NC(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1)C(C)C 3378360 OQIANLXEROAZJN-INIZCTEOSA-N 414.571 4.903 0 40 HJAB O=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc2c(c1)OCCO2 4487841 HLVMCXIIKBEIJD-UHFFFAOYSA-N 414.417 4.709 0 40 HJAB O=C(OCCN(CCOC(=O)c1ccccc1)CCC1CCCCC1)c1ccccc1 4747909 ASXRGXUDVJKJSB-UHFFFAOYSA-N 423.553 4.973 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)N1C[C@@H](C)C[C@@H](C)C1 4815601 KXGHORBXHRQSGF-QLODZENZSA-N 415.537 4.526 0 40 HJAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nccn2-c2ccc(C)cc2C)cc1 4894611 UAXWSYKWNLSACU-MRXNPFEDSA-N 408.527 4.567 0 40 HJAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)NCCC1=CCCCC1 5333170 UXSPPHWGTRGJQM-HNNXBMFYSA-N 414.550 4.906 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 6288999 DCVSJNDUKGOZNK-UHFFFAOYSA-N 423.516 4.642 0 40 HJAB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(C)s1 6323710 BAWOEKZJWMBUCQ-RGVLZGJSSA-N 404.333 4.754 0 40 HJAB O=C(Nc1ccccc1N1CCCC1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 6647767 OHNKVVKWMTYLEQ-XMMPIXPASA-N 412.489 4.993 0 40 HJAB O=C(CSc1ncnc2sccc12)Nc1ccc2c(c1)OC1(CCCCC1)O2 6648089 QFVPYFAQNKTOGV-UHFFFAOYSA-N 413.524 4.854 0 40 HJAB COc1cccc(CN(C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)c1 6937193 RDKYIQXDMXFMCP-BVAGGSTKSA-N 405.538 4.603 0 40 HJAB CCc1ccc(N2C(=O)C3=C(C2=O)[C@H](c2cccnc2)Nc2ccccc2S3)cc1 7496277 PQUQLEZPKMLENO-NRFANRHFSA-N 413.502 4.730 0 40 HJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)C1=Cc2cc(Cl)ccc2OC1 8129023 XDPWTKWZPYMXND-UHFFFAOYSA-N 420.900 4.739 0 40 HJAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccccc1N1CCCC1 8723752 DFWWGMTXJGNZKB-UHFFFAOYSA-N 411.556 4.613 0 40 HJAB Cc1oc2cc(OCC(=O)Nc3cccnc3)ccc2c(=O)c1-c1ccc(Cl)cc1 8993034 SDQPZNRIQPPFCL-UHFFFAOYSA-N 420.852 4.834 0 40 HJAB COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1ccccc1 9250160 QAYWJQVIDCQCIB-UHFFFAOYSA-N 421.522 4.690 0 40 HJAB Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cc(-c2ccccc2)[nH]n1 9452811 QKIJOCJLXXTDQT-UHFFFAOYSA-N 417.325 4.648 0 40 HJAB CC(=O)Nc1ccc(C(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)c(F)c1 9713133 PYMWXEJVOAVLBT-UHFFFAOYSA-N 423.513 4.824 0 40 HJAB O=C(CSc1ccc(-c2ccccn2)nn1)Nc1cc(C(F)(F)F)ccc1Cl 10221042 GMLIUMNIADBBDY-UHFFFAOYSA-N 424.835 4.942 0 40 HJAB Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 10434277 NXNCLDSRDGBBHL-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB COc1ccc([C@H](C)NC(=O)Cn2ccc3ccnc(-c4cccc(OC)c4)c32)cc1 12231847 IOENFTWDQFPFCU-KRWDZBQOSA-N 415.493 4.598 0 40 HJAB COc1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)c(OC)c1 12779286 RSRSKSHLHQSROX-UHFFFAOYSA-N 409.467 4.838 0 40 HJAB Cc1sc2nc([C@H](C)OC(=O)Cc3coc4cc5c(cc34)CCC5)[nH]c(=O)c2c1C 13108361 HXRLDECXQUMKNR-LBPRGKRZSA-N 422.506 4.683 0 40 HJAB O=c1[nH]c2ccccc2c(NCc2ccco2)c1Sc1nc(-c2cccs2)n[nH]1 14200485 AGEKOPYRRXVMTN-UHFFFAOYSA-N 421.507 4.731 0 40 HJAB COc1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1Br 16226716 MZRZWKZUAWEYEJ-UHFFFAOYSA-N 415.312 4.738 0 40 HJAB COP(=O)(OC)c1nc(Cc2ccc(Cl)cc2)oc1NCCc1ccccc1 16750247 LDNBAEBPHGSBAA-UHFFFAOYSA-N 420.833 4.685 0 40 HJAB OC1(Cn2ccc3ccnc(Cl)c32)C[C@@H]2CC[C@H](C1)N2Cc1ccc(F)c(F)c1 19292825 RKBBDRMJFSYGJL-AQKKSAQBSA-N 417.887 4.526 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19335702 SMOLSLPZOBWFKP-CYBMUJFWSA-N 421.394 4.506 0 40 HJAB O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccsc2)C1 19370914 TWANSWJNDYJRDR-RDGATRHJSA-N 419.594 4.845 0 40 HJAB O=C(c1ccc(Cl)c(N2CCCCC2)c1)N(Cc1ccccn1)C[C@@H]1CCCO1 19665590 QTFAANSEPZBTTM-FQEVSTJZSA-N 413.949 4.547 0 40 HJAB Cn1c([C@@H]2CCCN(C(=O)Cc3csc(-c4ccccc4)n3)C2)nc2ccccc21 19715108 IERCTZCUIWTMRP-GOSISDBHSA-N 416.550 4.646 0 40 HJAB Cc1cccc(COc2ccc(C(=O)NCc3ccccc3)nc2Br)c1 19872929 MVCWTYAJKPOCEQ-UHFFFAOYSA-N 411.299 4.662 0 40 HJAB O=C(c1ccc(CSc2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 20238848 RTGQMDIROPKGRI-UHFFFAOYSA-N 402.563 4.937 0 40 HJAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ccccc3)cc1)cn2C 22237249 PEJKSAHAFNEBIA-UHFFFAOYSA-N 414.461 4.982 0 40 HJAB CC(C)c1cc(C(=O)Nc2ccnn2Cc2ccccc2)c2cnn(C(C)C)c2n1 22587635 IPCXUYQSRPADLC-UHFFFAOYSA-N 402.502 4.633 0 40 HJAB Cc1ccc(-c2nc(CSc3cc(C(=O)NC4CC4)c4ccccc4n3)no2)cc1 22831544 ITOXDNWLLDXXKS-UHFFFAOYSA-N 416.506 4.778 0 40 HJAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1ccc2c(c1)OC1(CCCC1)O2 24986834 GPMZDESJRWFZTG-UHFFFAOYSA-N 415.873 4.724 0 40 HJAB Cc1nn(C)c(C)c1CC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 25536005 ZJAXSEHJGGUNIW-FQEVSTJZSA-N 420.944 4.662 0 40 HJAB C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)[C@@H]1CCCO1 27873403 LZGJTEMWSDYURM-KKSFZXQISA-N 409.917 4.549 0 40 HJAB Cc1nc2cc(NC(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C)ccc2o1 29601297 VHNCTALQASHHMJ-UHFFFAOYSA-N 400.360 4.901 0 40 HJAB Cc1nc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)nn1-c1ccc(F)cc1 32787199 JPKMAJSUQXTLOK-UHFFFAOYSA-N 418.394 4.538 0 40 HJAB Cc1cc(C)n(-c2ccccc2NC(=O)c2sc(NC(=O)c3ccco3)cc2C)n1 32809975 RDDKWGDFPUKYED-UHFFFAOYSA-N 420.494 4.957 0 40 HJAB COc1cc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)cc(OC)c1OC 32901983 GCKDFBNMBGVDAO-UHFFFAOYSA-N 406.360 4.532 0 40 HJAB CC(=O)c1ccc(-c2ccc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)o2)cc1 32983798 ZQRRNRGAMZBZMU-JOCHJYFZSA-N 402.494 4.716 0 40 HJAB COc1ccc(NC(=O)c2ccc(Br)cc2)cc1OCc1ccncc1 36390553 UWMJQUKJABTXGY-UHFFFAOYSA-N 413.271 4.684 0 40 HJAB Cc1cc(C(=O)NCC[C@H](C)n2nc(C)cc2C)c2c(-c3ccc(F)cc3)noc2n1 36617432 CUHYBYAQQZTATP-HNNXBMFYSA-N 421.476 4.532 0 40 HJAB O=C(Oc1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)c2cccs2)CC1 39977905 SLGWWEDLVPYOHI-UHFFFAOYSA-N 421.518 4.785 0 40 HJAB O=C(O)C[C@@H](O)C[C@H](O)/C=C\c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 51943593 VGYFMXBACGZSIL-JQDPHBCOSA-N 421.468 4.518 0 40 HJAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccccc1N1CCCC1 57344086 WYZKLODGXPSBOR-UHFFFAOYSA-N 403.320 4.845 0 40 HJAB Cc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1C 57486759 MUBXTLVSARULJS-UHFFFAOYSA-N 420.900 4.792 0 40 HJAB FC(F)(F)Cn1ccnc1COc1c(Br)cccc1Br 58305091 JEAKNNCYBSENGY-UHFFFAOYSA-N 414.019 4.549 0 40 HJAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ccsc3)c2)cc1 58305127 PHVQSVQJTMEDHC-OAHLLOKOSA-N 414.552 4.744 0 40 HJAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc(Cl)cc(Cl)c1 71980517 CFVRDQDYZYTGHB-WGAFOPHPSA-N 414.329 4.852 0 40 HJAB CCc1cc(C(=O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)ccc1F 77292337 QITPBBUJMSLKPO-UHFFFAOYSA-N 403.925 4.988 0 40 HJAB in-vitro CC[C@]1(C(=O)c2ccccc2)[C@H]2c3ccccc3OC(=O)[C@@]21C(=O)Nc1ccccc1 100167361 OEJZGHBJYQRMAI-QGDZQMKYSA-N 411.457 4.607 0 40 HJAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 219676285 KIBHBJTVWFTNMF-OAHLLOKOSA-N 408.361 4.574 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1ccncc1 222591232 OPVSSMMVOUAXGA-USCONSEESA-N 403.555 4.533 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 223732085 KVXJMVOOMCFBCM-XMMPIXPASA-N 424.585 4.714 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 224017982 VELBSLLOUSFPKY-INIZCTEOSA-N 418.990 4.764 0 40 HJAB CC(C)C(NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)C(C)C 224030289 CLXXZWBJPRKZFI-UHFFFAOYSA-N 408.951 4.551 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 224665214 WUCRPYNIBYOYDJ-QFIPXVFZSA-N 414.977 4.771 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 225134642 SJHMOSLODSHFAD-DLBZAZTESA-N 418.990 4.764 0 40 HJAB CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)CCC3CCCCC3)CCO2)n1 257270317 MTRYESKHGNKTDC-QFIPXVFZSA-N 411.546 4.868 0 40 HJAB CCc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3C)c2)cc1 408554563 CAUWDNAQRMYFEW-UHFFFAOYSA-N 424.522 4.619 0 40 HJAB Cc1s/c(=N\C(=O)c2ccccc2F)n(C)c1-c1ccc(Br)cc1 409206265 SHKGSYQXTVUGOF-UZYVYHOESA-N 405.292 4.705 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc(C)cc3C)cc2)cc1 409359421 OGFKLIYRZCNKLT-UHFFFAOYSA-N 422.550 4.984 0 40 HJAB CC(C)Cc1cc(C(=O)N2Cc3ccccc3NCC[C@H]3CC[C@@H](C2)N3C(C)C)on1 643578482 WRZOGCDLNFKGHG-YADHBBJMSA-N 424.589 4.573 0 40 HJAB Cc1nn(C)cc1[C@H]1CCCN1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 675250200 HMEDYDFSTWMABY-HSZRJFAPSA-N 404.514 4.687 0 40 HJAB C[C@H]1Oc2c(cccc2-c2nc(C3(c4cccc(C(F)(F)F)c4)CC3)no2)NC1=O 685397726 AHTYKGRSXKKWMR-LLVKDONJSA-N 415.371 4.555 0 40 HJAB Cc1c(Cl)cccc1C(=O)N1CCC2(CC[C@@H]2NC(=O)CCc2ccccc2)CC1 1565555883 RMUNQSPYGZVXLZ-QFIPXVFZSA-N 424.972 4.782 0 40 HJAB C[C@]1(c2ccccc2)CC[C@H](N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)C1 1615055765 OQYOQTVVCCBVID-JTAQYXEDSA-N 416.487 4.906 0 40 HJAB Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)COc1ccc(Cl)cc1 892434 SZTZVMPTFRWXJC-UHFFFAOYSA-N 400.887 4.980 0 40 HJAB CC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 1320548 HUXYKRFGSZAYEN-SANMLTNESA-N 417.480 4.957 0 40 HJAB COc1ccccc1CN(Cc1ccc(C)cc1)C(=O)c1cc2ccccc2oc1=O 1330081 IOCJIBLBENAQOH-UHFFFAOYSA-N 413.473 4.953 0 40 HJAB Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)c(C)c1 1379970 PAUALSKTIMJUFJ-QHCPKHFHSA-N 417.509 4.738 0 40 HJAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2723194 XQNNJKNWPVGKRU-UHFFFAOYSA-N 408.310 4.919 0 40 HJAB O=C(NCc1ccccc1Cl)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 3012869 JBLSBWGLXZEMBZ-GOEBONIOSA-N 424.810 4.720 0 40 HJAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CN1CCC(C)CC1 4747772 VBIWNDBLJAQTPW-UHFFFAOYSA-N 414.571 4.879 0 40 HJAB COc1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC23CCCCC3)cc1OC 4891985 VZBCMEPYGBOLPL-UHFFFAOYSA-N 408.523 4.637 0 40 HJAB COc1ccc(OC)c(NC(=S)NCCc2c(C)[nH]c3ccc(Cl)cc23)c1 4905165 GWFAZMHYTUWXOX-UHFFFAOYSA-N 403.935 4.676 0 40 HJAB CC(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(F)cccc3s2)cc1 5264942 MWADNTIVMNPOLX-UHFFFAOYSA-N 405.454 4.880 0 40 HJAB CC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1-c1ccc(OC)cc1 6187358 CNKUYBKBHQTUKS-KRWDZBQOSA-N 409.555 4.917 0 40 HJAB Fc1cccc(COc2ccccc2C(=S)N2CCN(Cc3ccccc3)CC2)c1 6228350 OKJWEWDYEHWOHO-UHFFFAOYSA-N 420.553 4.898 0 40 HJAB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc(C)c4)cc3)CC2)cc1 6613598 KMIMVNUNQNGYPP-UHFFFAOYSA-N 413.521 4.518 0 40 HJAB COc1ccc(CC(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1OC 6781391 XGGCHXPXOOZOKY-UHFFFAOYSA-N 419.506 4.865 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(C2CCCCC2)cc1 7247684 JUBHIIYCEVKHSL-UHFFFAOYSA-N 414.571 4.610 0 40 HJAB Cc1cccc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)c1 7720999 XXMAQQODYZECRS-UHFFFAOYSA-N 405.498 4.785 0 40 HJAB CCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(OC)c(O)c(OC)c2)cc1 7884508 DVLCUMHLHXHJML-QHCPKHFHSA-N 404.466 4.743 0 40 HJAB Cc1ccccc1-n1cnnc1SCC(=O)N[C@@H](C)c1cccc2ccccc12 8193312 FPNQLOCAVVDPMM-KRWDZBQOSA-N 402.523 4.698 0 40 HJAB CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 8490710 FOHAARASXIKTCU-UHFFFAOYSA-N 418.449 4.604 0 40 HJAB biogenic CC(C)[C@@H]1C[C@](CC(=O)NCc2cccnc2)(Cc2ccccc2Cl)CCO1 8991407 FANDUUSCAJXVCM-JTHBVZDNSA-N 400.950 4.805 0 40 HJAB O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1)c1cccc(Cl)c1 9062074 RURXXQZHOPZODB-UHFFFAOYSA-N 418.840 4.895 0 40 HJAB COc1ccc(-c2cc(OC(=O)c3ccco3)c3c(C)oc(C)c3c(=O)c2)cc1OC 9129481 BIWQACADABNSCO-UHFFFAOYSA-N 420.417 4.906 0 40 HJAB CCOc1ccc(N2C(=O)CS[C@]23C(=O)N2c4c(cccc43)[C@@H](C)CC2(C)C)cc1 9189998 MCAJWMACMHPGPO-IZHWHUGBSA-N 422.550 4.651 0 40 HJAB C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9532123 NNOLECZHTOPCSO-MRXNPFEDSA-N 418.928 4.822 0 40 HJAB COc1ccc(-c2nnc(NCCc3ccc(OC)c(OC)c3)c3ccccc23)cc1 9553876 XGOCRVOLAVMRRR-UHFFFAOYSA-N 415.493 4.977 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nc3nc(C)cc(C)n3n2)c2ccccc2)c1 9746463 SNVRFYHXGBYASO-HXUWFJFHSA-N 417.538 4.830 0 40 HJAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1C 10009801 RULFBUWAPXQNQW-UHFFFAOYSA-N 422.550 4.902 0 40 HJAB CC[C@H](NC(=O)Cn1c(-c2cccc(C)c2)n[nH]c1=S)c1ccc(Cl)cc1 10423524 ITEMXKUWTXIOGA-KRWDZBQOSA-N 400.935 4.837 0 40 HJAB COc1ccc2nc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)cn2n1 11693478 DSNBLSLNFQQMCX-UHFFFAOYSA-N 412.371 4.676 0 40 HJAB COc1ccc(OC)c(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)c1 12285555 ZFERKSXLQZKVLB-UHFFFAOYSA-N 422.510 4.875 0 40 HJAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(F)cc3)n3ccccc23)cc1C 12342009 KYBZBYZGGGAICI-UHFFFAOYSA-N 401.441 4.761 0 40 HJAB CC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)C1 12364949 IYEKJECYTDIWBW-HUJREVKFSA-N 409.501 4.592 0 40 HJAB CC[C@@H](C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1C)c1ccccc1 12441190 AMWMAEGCGOINFJ-LJQANCHMSA-N 400.482 4.846 0 40 HJAB CC[C@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1F)C(=O)OC 12514691 YUBWMIRYZNYGKZ-INIZCTEOSA-N 405.882 4.771 0 40 HJAB O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc12)NC1CCCCCCC1 12653096 WDLAHABAKDQGOR-UHFFFAOYSA-N 417.509 4.683 0 40 HJAB Cc1cccc(OCCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 15497172 AFEZPXLNCGNGSM-IBGZPJMESA-N 402.494 4.894 0 40 HJAB Cc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(OC2CCCC2)cc1)CC3 15841971 AKMALKRNZXEHIJ-UHFFFAOYSA-N 408.523 4.616 0 40 HJAB COc1ccc(CN(C(=O)Nc2cccc(C)c2)c2nnc3n2CCCCC3)cc1 16769850 HLUMXLBSCZALTP-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB COc1cccc(Nc2nc(N3CCC(C)CC3)nc3c2cnn3-c2ccccc2)c1 17246128 QHWWVFMKDBEKLF-UHFFFAOYSA-N 414.513 4.804 0 40 HJAB O=C(N1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1)C12CC3CC(CC(C3)C1)C2 19345974 WALAHCADDFMUTC-NGOBRMJYSA-N 414.933 4.628 0 40 HJAB C[C@H](NC(=O)Cn1c(-c2ccccn2)nc2ccccc21)c1nc2ccccc2s1 19459876 VEBFEVNPYLMJHH-HNNXBMFYSA-N 413.506 4.585 0 40 HJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 20459560 SGYMEPOFCIBPAR-MUNMYPBESA-N 414.549 4.855 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 21825144 WUKZVUPKNHKEFF-OALUTQOASA-N 420.582 4.740 0 40 HJAB COc1ccccc1-c1cc(NC(=O)COc2ccc(C)cc2)n(-c2ccccc2)n1 21944933 FWLHQERAXPZODK-UHFFFAOYSA-N 413.477 4.874 0 40 HJAB O=c1[nH]c(CN2CCc3sccc3[C@H]2C2CC2)nc2scc(-c3ccco3)c12 24498012 BHEFIGGMYOLWJQ-LJQANCHMSA-N 409.536 4.816 0 40 HJAB Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H](C)c1nc2ccccc2n1C(F)F 24983841 JOQSAIMNBXJDNO-AWEZNQCLSA-N 424.451 4.857 0 40 HJAB COc1cc(CCNC(=O)C2(c3cccc(Cl)c3)CCC2)ccc1OC(F)F 26076658 PSUDMAMVLSMQPE-UHFFFAOYSA-N 409.860 4.731 0 40 HJAB FC(F)(F)c1cc(NCc2ccccc2CN2CCOCC2)c2ccccc2n1 26136945 MTQIBACUKBFIAE-UHFFFAOYSA-N 401.432 4.698 0 40 HJAB Cc1ccc(Cn2cc(Br)c(NC(=O)[C@H]3C[C@H]3c3ccccc3)n2)cc1 28230918 ZFJLFEDZNRIKLC-ROUUACIJSA-N 410.315 4.745 0 40 HJAB Cc1cc(NC(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)no1 32779533 LNQCUKWYGUDZDJ-UHFFFAOYSA-N 416.934 4.715 0 40 HJAB C[C@H](NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1Cl 32862959 CHPUDKYHFOFVRZ-NEPJUHHUSA-N 415.342 4.518 0 40 HJAB CCc1nc(C)c2c(C)c(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)sc2n1 36396128 AZAMZHUWQSHCRQ-INIZCTEOSA-N 423.538 4.619 0 40 HJAB CCC(CC)N(CCOC)C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2)n1 40139170 YTLLUIKTPNEMNH-OUKQBFOZSA-N 415.559 4.505 0 40 HJAB Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 40145185 NHLSHCMYOIKCBV-UHFFFAOYSA-N 423.586 4.522 0 40 HJAB COc1ccc([C@@H]2SCC(O)=Nc3[nH]nc(C)c32)cc1OCc1ccccc1F 44922279 FROPZKDSMZYQCK-FQEVSTJZSA-N 413.474 4.869 0 40 HJAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)N1CCCc2ccccc21 57487253 MBMQNYPQFLLXKW-UHFFFAOYSA-N 418.884 4.838 0 40 HJAB COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cc(-c2ccccc2)no1 58177831 ACYIVDQTETVCFA-IBGZPJMESA-N 405.281 4.995 0 40 HJAB Cc1ccc(-c2ncc(C(=O)N(C)C3CCN(c4ccccn4)CC3)s2)c(C)c1 60334906 ULCLARVNEZPDIT-UHFFFAOYSA-N 406.555 4.563 0 40 HJAB C[C@@H](NC(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccc(-n2cncn2)cc1 62640066 VGWCFIGGAWAUOJ-CYBMUJFWSA-N 409.902 4.535 0 40 HJAB CC[C@H](NC(=O)Nc1ccc(F)cc1)c1noc(-c2cccc(Br)c2)n1 72275177 BSJFVRXIWOXZLO-HNNXBMFYSA-N 419.254 4.911 0 40 HJAB O=C(COc1ccccc1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349074 WWJRWFIADBMQBH-HXUWFJFHSA-N 404.485 4.597 0 40 HJAB CCn1ncc(CN2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)c1C 72374959 JNLSJIFELVHCRY-FQEVSTJZSA-N 404.562 4.741 0 40 HJAB O=C(C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21)NCC1CC1 96053100 SHIPHFVJJGWJPX-NRFANRHFSA-N 422.544 4.643 0 40 HJAB CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2ON1c1ccccc1 102726147 NJBXYNKCLWDUAR-OUFMZXHOSA-N 406.526 4.890 0 40 HJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4cccnc4)c3C)N21 222674541 DZBPUGZUUOGGIB-AJSBUHFISA-N 417.582 4.923 0 40 HJAB Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)c1 222702033 IGYNXYVVJUXVGQ-NRFANRHFSA-N 424.585 4.631 0 40 HJAB Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 222850614 GAWKFDYRGULRAY-LEWJYISDSA-N 421.522 4.729 0 40 HJAB COc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3cccc(OC)c3)o2)cc1 224897902 UFGJAELKVXOSKP-UHFFFAOYSA-N 414.461 4.956 0 40 HJAB O=C(NCCSCc1c(F)cccc1Cl)C1(c2ccccc2)CCOCC1 225230540 SYUYCBRXLJAXLF-UHFFFAOYSA-N 407.938 4.577 0 40 HJAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(/C=C/C(=O)O)cc4)[C@@H]3C[C@H]21 257235208 GWWVXEPFWFOJIH-MNBYJOGOSA-N 419.521 4.676 0 40 HJAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCCN(Cc2ccccc2)C1 260822773 ABWVONLBYQGXMU-WMZOPIPTSA-N 413.359 4.639 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)CCc3ccccc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409362618 SCGXGZJWPMHRQW-WWMYMODYSA-N 410.480 4.921 0 40 HJAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 409382603 UYAIWXHSXLHKGP-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1nc(-c2ccccc2F)sc1[C@H](C)NC1CCN([C@H]2CCCC[C@H]2O)CC1 540158023 RHGUDTXOXJYKTP-ONGXBYRLSA-N 417.594 4.676 0 40 HJAB Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CCc4ccc(F)cc4[C@@H](C)C3)C2)c1 1144291193 INVAIAXFVUFAEA-ICSRJNTNSA-N 423.532 4.566 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)/C(=C/c1ccco1)NC(=O)c1cccs1 709040 QIUSDEPQDGNWOS-PTNGSMBKSA-N 406.385 4.770 0 40 HJAB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 876332 QJUDVBSNMPIIIB-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB Cc1cc2cc(CN(C(=S)NCc3ccccc3)C3CCCC3)c(=O)[nH]c2cc1C 879011 KACFJDQPSQCAKB-UHFFFAOYSA-N 419.594 4.964 0 40 HJAB OCC[C@@H]1CCCCN1c1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12 1341264 PAXQDESKFJHMCK-NRFANRHFSA-N 416.500 4.944 0 40 HJAB Cc1cccc2cc(CN(C(=O)Nc3ccccc3)C3CCCC3)c3nnnn3c12 1376721 FUADAHJLVARPKZ-UHFFFAOYSA-N 400.486 4.563 0 40 HJAB O=C(NCc1ccccc1)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1 1400049 WXAHZYBJENKAKI-UHFFFAOYSA-N 421.711 4.787 0 40 HJAB O=C(Nc1ccccc1F)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 2725438 KFWKAOXGERUXSB-UHFFFAOYSA-N 411.138 4.942 0 40 HJAB Cc1ccc(/C=C/C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C(=O)OC(C)C)o1 2754408 RYNMVZJVNHOKRD-MDZDMXLPSA-N 419.499 4.740 0 40 HJAB O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)Nc1ccc(Cl)cn1 3266089 XUFAPTZNSWWPCT-UHFFFAOYSA-N 423.881 4.807 0 40 HJAB CSc1ccc(/C=C/C(=O)Nc2ccc(I)cc2C)cc1 3280034 PQMPICPWVUKNNN-BJMVGYQFSA-N 409.292 4.973 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)N1CCCc2ccccc21 3280062 DDNLYUZUYFTYSG-UHFFFAOYSA-N 411.914 4.771 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@H]2c2c(C)n(C)c3ccccc23)cc1 4734658 KHVNGUYDVYTWKM-SANMLTNESA-N 423.516 4.979 0 40 HJAB CCOc1ccc(NC(=O)c2cccn(Cc3cccc(C(F)(F)F)c3)c2=O)cc1 5270267 BVEKRVXTGPXVBD-UHFFFAOYSA-N 416.399 4.566 0 40 HJAB O=C(NCc1ccccc1)c1cc2ccccc2cc1OCC(=O)N1CCCCCC1 5468733 SAPHOKKFSIELBA-UHFFFAOYSA-N 416.521 4.551 0 40 HJAB C[C@H](OC(=O)c1c(F)cccc1Cl)C(=O)Nc1nc(-c2ccccc2)cs1 5872271 SRZVORJREMKIAQ-NSHDSACASA-N 404.850 4.787 0 40 HJAB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/C=C/c1ccco1 6323677 RQBLABGXMKJYHZ-RZSRBSRRSA-N 400.276 4.642 0 40 HJAB S=C(NC[C@H]1CCCO1)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 6335551 TZBOBUYUGJHYDP-QAPCUYQASA-N 413.974 4.596 0 40 HJAB COc1ccc(-c2noc(CN(C(=O)c3cccc4ccccc34)C(C)C)n2)cc1 6754858 OPLNHJAUJSETFV-UHFFFAOYSA-N 401.466 4.949 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccccc2C(C)(C)C)CC1 7495644 MLSWPQVLMYAUMO-UHFFFAOYSA-N 400.950 4.674 0 40 HJAB O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(N2CCCCC2)cc1 8344543 RGEYANDNCLRXON-UHFFFAOYSA-N 417.538 4.789 0 40 HJAB COc1ccc(CC(=O)Nc2nnc(S[C@@H](C)c3ccccc3)s2)cc1OC 8794618 YIWIOKDKHUNTMO-ZDUSSCGKSA-N 415.540 4.590 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c(OC)c1 9135397 CQWRCKOWKCPTNT-UHFFFAOYSA-N 418.449 4.647 0 40 HJAB C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1nccs1 9236138 JPOFTKWOGVBQON-CQSZACIVSA-N 419.535 4.781 0 40 HJAB C[C@@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 11026710 BSEPTLSTGAQHML-SECBINFHSA-N 404.196 4.779 0 40 HJAB COc1ccccc1CN(Cc1coc2ccc(Cl)cc2c1=O)C[C@H]1CCCO1 12187558 ZAGNIOJFJWNVDZ-LJQANCHMSA-N 413.901 4.636 0 40 HJAB CC(=O)c1ccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1 12226920 AWZMLPQRUPRCJD-UHFFFAOYSA-N 403.360 4.529 0 40 HJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CCc1nc2ccccc2s1 12592045 PDSZEIMSWWMNRV-RYRKJORJSA-N 403.544 4.776 0 40 HJAB COc1cc(C(C)=O)ccc1OC[C@@H](O)COc1ccc(-c2ccc(C)cc2)cc1 12978632 BLEBZEUYTRPYNW-QFIPXVFZSA-N 406.478 4.692 0 40 HJAB CCOc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)C(C)C)C3)cc2)cc1 13007158 JEEGHYPEPJGZOT-SFHVURJKSA-N 410.514 4.711 0 40 HJAB O=C(CNC(=O)c1ccc2noc(-c3ccccc3)c2c1)Nc1cccc(Cl)c1 13654137 CIFYSKWIOKENSX-UHFFFAOYSA-N 405.841 4.517 0 40 HJAB C[C@H]1CC2(CCCC2)N2C(=O)[C@]3(NCCc4c3[nH]c3ccccc43)c3cc(F)cc1c32 14162438 NIYJZVRPYNEMJD-HAWMADMCSA-N 415.512 4.863 0 40 HJAB biogenic O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 15734820 RMKXAMZVXAHOOV-UHFFFAOYSA-N 416.909 4.853 0 40 HJAB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)o2)c([N+](=O)[O-])c1 16409532 VGZBYGYNOLBMBA-RVDMUPIBSA-N 403.394 4.718 0 40 HJAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1C 16841441 WHGYQVQSAILWSC-UHFFFAOYSA-N 406.486 4.883 0 40 HJAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(Cl)cc1 17093336 YDKCILQPKPIFRB-UHFFFAOYSA-N 422.897 4.978 0 40 HJAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)noc2n1 19568645 YKRFTQOPMJGMFX-MRXNPFEDSA-N 417.431 4.889 0 40 HJAB COc1cccc(-c2cc(C)nc(C3CCN(C(=O)c4cc(C(C)C)n[nH]4)CC3)c2)c1 19690631 IWXILMFAEOMGBW-UHFFFAOYSA-N 418.541 4.932 0 40 HJAB C[C@@H]1Oc2ccc(-c3csc(NC(=O)CCC4CCCCC4)n3)cc2N(C)C1=O 19796659 KWZUOLWQRRFBRK-AWEZNQCLSA-N 413.543 4.853 0 40 HJAB CCCCCc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 20112497 FLWSMFFYVJDFES-FQEVSTJZSA-N 409.526 4.959 0 40 HJAB biogenic Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(OCC(=O)O)c2)c1 20158259 DFOWYJLIUHOOGD-UHFFFAOYSA-N 418.474 4.987 0 40 HJAB CN(Cc1ccccc1Br)C(=O)CSc1nnc(C2CCCCC2)o1 22376197 HEYYOJZFAZGCFI-UHFFFAOYSA-N 424.364 4.631 0 40 HJAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3cnc4c(c3)c(C)nn4C)cccc2c1=O 24032778 DCHUORXLKLOZIN-UHFFFAOYSA-N 424.460 4.611 0 40 HJAB CC(C)c1ccccc1OC[C@H](O)COc1ccccc1C(=O)Nc1ccccc1 24829594 YPOUBQZOVOVGRZ-FQEVSTJZSA-N 405.494 4.881 0 40 HJAB COc1cccc(-n2cnnc2S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 25096820 ZIWQPTSJTSRDGU-NSHDSACASA-N 423.325 4.702 0 40 HJAB Fc1cccc(-c2nc(CSc3nnc([C@H]4COc5ccccc5O4)o3)co2)c1 26111936 LCLSYYTXZDVQJK-QGZVFWFLSA-N 411.414 4.669 0 40 HJAB C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc23)[C@@H]1C 27489002 IMIPXVACLGOPIA-FGGBXUGGSA-N 415.537 4.654 0 40 HJAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1cc(-c2ccc(F)cc2)[nH]n1 28230250 RHRRHMROVLFYDQ-UHFFFAOYSA-N 413.815 4.505 0 40 HJAB O=C(CSCc1ccc(Cl)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 28581297 IAKQRGRNPDHJHW-SFHVURJKSA-N 403.931 4.708 0 40 HJAB C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 30229715 YLHVXQXUHYEQNA-OPAMFIHVSA-N 421.928 4.984 0 40 HJAB CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c1 30943503 WWPBSJKBNKOATH-HNNXBMFYSA-N 420.340 4.803 0 40 HJAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2-c2nc3ccccc3s2)C1 32764474 HHJDAQVTWVZBHN-OAHLLOKOSA-N 409.511 4.770 0 40 HJAB CC(=O)Nc1ccc(NC(=O)CSCc2csc(-c3ccc(C)cc3)n2)cc1 32779054 NINFLNVJADHLDD-UHFFFAOYSA-N 411.552 4.949 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)c3c(C)nn(C)c3n2)cc1 36613489 DLESQZHRXQUNLK-UHFFFAOYSA-N 400.482 4.821 0 40 HJAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCCCC3)o2)cc1 39843906 MGRZXZCROXSAPL-UHFFFAOYSA-N 400.475 4.612 0 40 HJAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)c12 40130076 HDPRWCMEXJKOLR-UHFFFAOYSA-N 421.545 4.572 0 40 HJAB O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccccc1SC(F)(F)F 40146138 VFLJJDLGQNFRRY-UHFFFAOYSA-N 408.401 4.594 0 40 HJAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1Cl 44939850 MUFNLXCHFQUGJZ-UHFFFAOYSA-N 414.933 4.676 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(F)cc3)n2)cc1 72357970 KHGBWEGYGUBNNK-XMMPIXPASA-N 404.485 4.726 0 40 HJAB O=C(c1cccc(F)c1)N1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 96155768 IWPGOFKCPXNKIQ-UHFFFAOYSA-N 418.447 4.694 0 40 HJAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1c1ccc2oc(=O)ccc2c1 102729788 GSVXQXMPESJPFR-UHFFFAOYSA-N 401.447 4.683 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OC(F)F 106680919 FCLLPYOWRXHRTP-BOPFTXTBSA-N 405.422 4.923 0 40 HJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccc(OC)c(OC)c1 219337688 GJWSIZZWQKPPSS-NRFANRHFSA-N 407.510 4.763 0 40 HJAB CC(C)Oc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223929324 KTZDMMZVBQVXNO-UHFFFAOYSA-N 410.495 4.527 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1N(C)S(=O)(=O)c1ccccc1 224288938 TYYHMHCLTYRHQO-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1 224537944 WDICQDXLLBHZQZ-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 224695810 IOOQLALZYYJXDN-QFIPXVFZSA-N 414.977 4.771 0 40 HJAB CCCCc1ccc(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1 224882615 PPGZXNPADJQHJB-UHFFFAOYSA-N 424.651 4.906 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc(C)c1Br 224919191 CBWWASXJRVTALN-UHFFFAOYSA-N 403.320 4.684 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 225208339 PCEBZANAFURPGS-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 225210326 KXRGEWLMMOHUHP-ZWKOTPCHSA-N 416.562 4.558 0 40 HJAB O=C(NCc1ccccn1)C1(Cc2ccc(-c3ccc(F)c(F)c3)cc2)CCOCC1 257204368 AUGGKUXWLHOSSJ-UHFFFAOYSA-N 422.475 4.683 0 40 HJAB CCOc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)C(C)C)ccc1OC 257311108 UHZAKTNZOULZDY-ZWNICXECSA-N 415.574 4.749 0 40 HJAB CCNc1nc(C)c(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)s1 257314007 UVAAFEYUADQXOL-QGZVFWFLSA-N 414.506 4.579 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3cccc(OC)c3)N21 260753197 BPYKJIXIZMHSQF-XGRCMKMKSA-N 404.539 4.860 0 40 HJAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c1C 408700699 KLXKPXXJBZWPNW-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB CN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)C1=O 408807710 DXHIZYRSWPHIGH-YBEGLDIGSA-N 404.285 4.694 0 40 HJAB CCCc1sc2nc(SCC(=O)OCC)n(-c3ccc(F)cc3)c(=O)c2c1C 409114851 LPZSFAUOEOXGJN-UHFFFAOYSA-N 420.531 4.502 0 40 HJAB CCN1C(=O)S/C(=C/c2cccc(OC)c2OCc2ccc(Cl)cc2)C1=O 409341199 DLYYIFONHAPGPX-GZTJUZNOSA-N 403.887 4.984 0 40 HJAB CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(Cc2cccc(F)c2)CC[C@@]1(C)O 514289803 GKXHRPKFTSFQMS-QNWVGRARSA-N 418.578 4.506 0 40 HJAB biogenic,in-vitro O=C(c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)N1C[C@@H]2CCC[C@@H]21 606401515 WLCLLQAAWHWSGW-WFASDCNBSA-N 418.444 4.639 0 40 HJAB COc1ccc(CN2CCOc3ccccc3CCCCC3(CCNCC3)C2)cc1 643571024 RVEVFTBDGGIQAJ-UHFFFAOYSA-N 408.586 4.672 0 40 HJAB CCOC(=O)c1cc(CN(Cc2ccc(OC)c(OC)c2)C2CCCCC2)[nH]c1C 1181544223 MXBRZKKZQWNQIW-UHFFFAOYSA-N 414.546 4.852 0 40 HJAB C[C@@]1(Cc2ccccc2F)Cc2cc(C(=O)NCCC3(O)CCCCC3)ccc2O1 2037875634 YCAOQSYWQOHQHN-XMMPIXPASA-N 411.517 4.577 0 40 HJAB COc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccc3c(c2)OCCCO3)cc1 668078 HWUBYWIGFQREQM-JOCHJYFZSA-N 403.478 4.570 0 40 HJAB Cc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 924456 BTBDPMJRNCUNAB-UHFFFAOYSA-N 404.470 4.752 0 40 HJAB Cc1sc2nc(C(C)C)nc(SCC(=O)Nc3ccc4c(c3)OCO4)c2c1C 1340378 ULTJTGCOKKVYEL-UHFFFAOYSA-N 415.540 4.891 0 40 HJAB Cc1cc2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)n2c2ccccc12 3444897 RGOACMJTIJJKRS-CABCVRRESA-N 408.502 4.688 0 40 HJAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(OCc2ccccc2)cc1 3448512 NSXMQMFKXJXGGX-HSZRJFAPSA-N 404.510 4.816 0 40 HJAB COc1ccc([C@@H]2N(c3ccccc3)N=C(C(C)=O)N2c2ccc(C)cc2)cc1OC 3672722 CQZXFOWTWARRBW-VWLOTQADSA-N 415.493 4.940 0 40 HJAB CC(=O)c1cccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccc(C)cc2)c1 4852268 OBFPVXSRGKNPNX-KGENOOAVSA-N 404.491 4.669 0 40 HJAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(N2CCCC2)cc1 4858897 VVPPLVHDGAWQOT-UHFFFAOYSA-N 420.582 4.715 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 4898798 UMWGZLVPPCHXAD-HNNXBMFYSA-N 400.507 4.695 0 40 HJAB Cc1ccc(S(=O)(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 5108328 PTGYPJPBUWRZKJ-UHFFFAOYSA-N 406.960 4.601 0 40 HJAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)NC(c1ccccc1)c1ccccc1 5310358 CLHAKVZPQVQSOP-UHFFFAOYSA-N 408.914 4.609 0 40 HJAB CCn1c(SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)nnc1-c1ccccc1 5311649 QJMOBKIMBGJTBG-LJQANCHMSA-N 424.570 4.537 0 40 HJAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1N1CCCCC1=O 5441821 GPUGWPDRUXSOHC-UHFFFAOYSA-N 407.297 4.836 0 40 HJAB CCCn1c(S[C@@H](C)C(=O)N(C)c2ccccc2)nc2cc(Cl)ccc2c1=O 5568413 SVEVDYCEQJCGGF-AWEZNQCLSA-N 415.946 4.604 0 40 HJAB COc1ccc(NC(=O)CCc2ccccc2)cc1NC(=O)CCc1ccccc1 5720669 AZGMVXHWTRWILR-UHFFFAOYSA-N 402.494 4.838 0 40 HJAB Cc1nc(-c2cnc(-c3ccccc3)nc2-c2ccc3c(c2O)OCCO3)cs1 6239022 ZHLAJPYJXBYPFZ-UHFFFAOYSA-N 403.463 4.719 0 40 HJAB C=CCOc1cccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)[nH]2)C(=O)O)c1 7603263 ZSRPQRVWUGIDDS-ATVHPVEESA-N 413.886 4.908 0 40 HJAB Cc1ccc(OCc2nc3ccccc3n2CC(=O)Nc2cc(F)ccc2F)cc1 7738203 YWYDBRFDAOIAGT-UHFFFAOYSA-N 407.420 4.841 0 40 HJAB Cc1ccccc1-n1c(SCCOC(=O)c2ccccc2)nc2ccccc2c1=O 7978375 YRNSMDGADCUWBQ-UHFFFAOYSA-N 416.502 4.643 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)O[C@H]1CCCC[C@@H]21 8306776 MIDMTBZLZSFHQP-FMKFIRIRSA-N 414.498 4.875 0 40 HJAB COc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1OC 8395239 BBNXBOCBLOWQSY-UHFFFAOYSA-N 419.506 4.929 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCC(c2nc3ccccc3o2)CC1 8429472 UCEFPOJXNCJOMI-UHFFFAOYSA-N 414.509 4.709 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1F)c1ccccc1F 8810668 QIHFLURDJFQRHH-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1nn2c(-c3cnccn3)nnc2s1 9052976 QXRKYRBYOMIYGQ-ZDUSSCGKSA-N 402.458 4.601 0 40 HJAB O=C(NCCSCc1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 9063202 IMLOIKHDZLZZRU-UHFFFAOYSA-N 402.991 4.602 0 40 HJAB Fc1ccccc1CSc1nnc2ccc(-c3ccc(Br)cc3)nn12 9829116 QYTONUUWEXWGBC-UHFFFAOYSA-N 415.291 4.985 0 40 HJAB O=C(CS(=O)(=O)c1ccc(Cl)s1)Nc1ccc(Oc2ccccc2)cc1 11666507 UEEBVKZSKNSINV-UHFFFAOYSA-N 407.900 4.606 0 40 HJAB COC(=O)c1ccc2nc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1 12378188 DZHVRSUZJWSLFJ-UHFFFAOYSA-N 416.458 4.566 0 40 HJAB CCN(CC)CCn1c(NC(=O)c2cc(F)c(F)cc2Cl)nc2ccccc21 12519947 FMCSEOLRIWVFAA-UHFFFAOYSA-N 406.864 4.562 0 40 HJAB COc1ccc(-n2c(SCc3cn4c(C)cc(C)nc4n3)nc3ccccc32)cc1 12624050 UTSOIRVWEKLPIE-UHFFFAOYSA-N 415.522 4.986 0 40 HJAB O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 12778020 HIUOOAOIWKTNPB-FQEVSTJZSA-N 400.478 4.509 0 40 HJAB COC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1c(Cl)cccc1Cl 12874288 ZQKJACSOPSPMIJ-UHFFFAOYSA-N 411.262 4.701 0 40 HJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCCCN1C(=O)c1ccccc1 12918421 PCMTWDQEDNHHIL-MRXNPFEDSA-N 408.832 4.575 0 40 HJAB COc1ccc(CCc2nnc3sc(-c4cccc5ccccc45)nn23)cc1OC 13727293 RGXAJRNQJPAPNL-UHFFFAOYSA-N 416.506 4.808 0 40 HJAB C[C@H]1c2ccsc2CCN1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 14066962 RFXRFOZITKDMBN-INIZCTEOSA-N 400.507 4.755 0 40 HJAB COC(=O)NC(=O)c1c(NC(=O)c2ccc(Cc3ccccc3)cc2)sc(C)c1C 16689832 YXOPMKUZSINVGE-UHFFFAOYSA-N 422.506 4.704 0 40 HJAB CCCCn1nc(NS(=O)(=O)c2ccc(F)cc2)c2cc3ccc(C)cc3nc21 17027396 DULVFULWYNJVFB-UHFFFAOYSA-N 412.490 4.633 0 40 HJAB Cc1cc(N2CCCC2)ccc1NC(=O)CSc1nccn1-c1cccc(F)c1 19196561 DDZXEKNCYKLLKQ-UHFFFAOYSA-N 410.518 4.651 0 40 HJAB Cc1cc(C)n(Cc2cccc(CNC(=O)c3cc(-c4ccccc4Cl)no3)c2)n1 19660877 LOYVXRJRHGLWKR-UHFFFAOYSA-N 420.900 4.787 0 40 HJAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)n1 19691437 PSARBMIVHSPJHM-UHFFFAOYSA-N 400.526 4.679 0 40 HJAB Cc1nn2c(nnc3c(=O)n(-c4cccc(Cl)c4)ccc32)c1-c1ccc(Cl)cc1 19821528 NQBJXMGLUDKHQL-UHFFFAOYSA-N 422.275 4.711 0 40 HJAB O=C(OCc1csc(-c2ccco2)n1)C1CCN(c2nc3ccccc3o2)CC1 25637891 MZQMRAHQSZCZAA-UHFFFAOYSA-N 409.467 4.504 0 40 HJAB COc1cccc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@@H]2c2ccccc2)c1 28048046 JQCLMEDEJPQSOD-QFIPXVFZSA-N 406.869 4.533 0 40 HJAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nc2ccccc2[nH]1 28647257 UYFYMRLEHQIDBD-UHFFFAOYSA-N 409.449 4.677 0 40 HJAB O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1ccccc1I 29673028 HTNXIRCWQAWBFB-UHFFFAOYSA-N 421.209 4.620 0 40 HJAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1C(=O)c1ccc(F)cc1 29870125 NYKMJXDJDXBTPV-JOCHJYFZSA-N 420.484 4.607 0 40 HJAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)c(Cl)c1 30867321 MEIPYLLQERTURQ-UHFFFAOYSA-N 422.717 4.765 0 40 HJAB O=C(Cc1ccc(Br)cc1)N(Cc1ccc(Br)cc1)C1CC1 32796512 KCZYPRDRZAEBRE-UHFFFAOYSA-N 423.148 4.945 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1 36358279 FTFALKKKWPFJLT-UHFFFAOYSA-N 419.510 4.951 0 40 HJAB COC(=O)c1cn(CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)c2ccccc12 36391086 LAUGLXWLBDDUBZ-JOCHJYFZSA-N 420.509 4.580 0 40 HJAB Cc1ccc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(O)c1 36618315 YDAGIYLUQNMAQZ-UHFFFAOYSA-N 418.537 4.786 0 40 HJAB COc1cc(CN(C)C(=O)Cc2nc(-c3cccs3)oc2C)ccc1OC(F)F 36660514 RFMIEEQXDFBEES-UHFFFAOYSA-N 422.453 4.523 0 40 HJAB Cc1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)c(C)n1-c1nccs1 36762522 DAEFAYWKJXCZAB-UHFFFAOYSA-N 408.571 4.813 0 40 HJAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCC[C@@H]2c2ccccc2C)c1 40152269 JFJMICCRQGBFSH-OAQYLSRUSA-N 407.514 4.751 0 40 HJAB CC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cc1 40157247 KRYUNWYZZKSSEN-QFIPXVFZSA-N 414.465 4.577 0 40 HJAB Cc1sc2ncnc(SCCC(=O)Nc3ccc4oc(=O)ccc4c3)c2c1C 40286433 MGPNZDRDZIAETM-UHFFFAOYSA-N 411.508 4.535 0 40 HJAB O=C(c1ccccc1)C1CCN(C(=O)Nc2ccc(OCC(F)(F)F)cc2)CC1 43918905 LCYADSDLVCRCFH-UHFFFAOYSA-N 406.404 4.755 0 40 HJAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2cncc(Br)c2)cc1 48323992 HAAANVYSIUNCQQ-UHFFFAOYSA-N 424.342 4.503 0 40 HJAB O=C1c2cc(NC(=O)C3(c4cccs4)CCCC3)ccc2OCC[C@@H]2CCCCN12 49030369 ZIKVEVRANMVMIO-SFHVURJKSA-N 424.566 4.976 0 40 HJAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2cccc(Cl)c2)CC1 58019935 DLKSBLKRMAGDKX-AWEZNQCLSA-N 403.313 4.927 0 40 HJAB COc1ccc([C@H](NCC(=O)N[C@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 58158048 DYZQQHXIDHBYBB-MZNJEOGPSA-N 408.929 4.905 0 40 HJAB Cc1c(Cl)cccc1/N=c1\oc2cc(O)ccc2cc1C(=O)NCc1ccco1 67299313 NZARGMHAQASXAX-LVWGJNHUSA-N 408.841 4.856 0 40 HJAB CCCCCC(=O)N[C@H]1C[C@@H](Cc2cc(COC(=O)CCCCC)on2)C1(C)C 67889721 RHKZNKAHRACEKN-XLIONFOSSA-N 406.567 4.952 0 40 HJAB biogenic,in-vitro COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]3(C)c2cccnc2)cc1OC 72332579 YWWGNHGZPLSQLC-RDPSFJRHSA-N 401.466 4.515 0 40 HJAB O=C(CCc1cccc(Cl)c1)N1CCC[C@@H]1c1ccc(Nc2cnccn2)cn1 72353156 WHWXMTJHCUNPAL-HXUWFJFHSA-N 407.905 4.565 0 40 HJAB CCOc1ccc2nc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)sc2c1 72414485 PNJFAMATYXHILB-UHFFFAOYSA-N 403.312 4.803 0 40 HJAB Nc1ccc(-c2nc(-c3cccs3)cc(N3CCN(c4ccccc4)CC3)n2)cc1 90599261 NAYHOBPKQRXYHV-UHFFFAOYSA-N 413.550 4.781 0 40 HJAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCO[C@@H](c2ccccc2)C1 95473896 LNWAFMUNPQEDPZ-JTHBVZDNSA-N 408.929 4.916 0 40 HJAB O=C(C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21)NCC1CC1 96052674 ZIGRJVKLWVLJRB-NRFANRHFSA-N 406.545 4.763 0 40 HJAB Cc1cccc(CSCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 222740091 VWVHJIXHUBTREI-UHFFFAOYSA-N 408.489 4.596 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 223043464 BBJXVJQYSSJVAA-QGZVFWFLSA-N 418.940 4.664 0 40 HJAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)c1 223415935 QBKILIFEBQRMLY-UHFFFAOYSA-N 414.549 4.671 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1Cc1cccnc1 223455680 AEECLDBGRANCET-VXKWHMMOSA-N 403.555 4.566 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C)cc2)cc1 223992398 QHZPTBCKRZUZNO-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)c1 224518956 YRRKNYAAVBSSFK-ZWKOTPCHSA-N 401.944 4.982 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1 224614251 DZAAHGGIQJMNAS-KRWDZBQOSA-N 418.990 4.515 0 40 HJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3cc(Cl)ccc3OC)o2)cc1 224859505 PAKTVJSUITVWQD-UHFFFAOYSA-N 400.862 4.974 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 225036881 NQOLKNHVCSFSFQ-FGZHOGPDSA-N 424.585 4.794 0 40 HJAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2cccnc12 225876928 IVSUERDUCOAMTB-UHFFFAOYSA-N 410.901 4.974 0 40 HJAB CN(CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1)Cc1ccccc1F 257218746 DEHDIYLYPNBTTJ-HSZRJFAPSA-N 421.516 4.590 0 40 HJAB COCc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)ccc1OC(C)C 257280013 OJDCLMOSGHMLHK-AVVQQZOASA-N 415.574 4.639 0 40 HJAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc(Cl)c1O 260762806 HKZAHQXWKJGSJG-DOPJRALCSA-N 403.935 4.819 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2C)c1 408545677 MFPRKQFBFGNFHK-UHFFFAOYSA-N 412.486 4.804 0 40 HJAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 408559290 WKHFAFVISPWYIX-UHFFFAOYSA-N 412.467 4.848 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 408673269 QYPHUBUICLJTIY-MORSLUCNSA-N 410.901 4.826 0 40 HJAB COc1cccc2c(/C=c3/sc4nc5ccccc5n4c3=O)c(-c3ccccc3)[nH]c12 408828403 MGLORUVFHUSVCF-KGENOOAVSA-N 423.497 4.614 0 40 HJAB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409216201 IQJXWUJPEPKLDL-RQZCQDPDSA-N 419.886 4.836 0 40 HJAB CCN1CCN(C(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)CC1 409312128 DAAIWSFOAYQUDT-QAVHCGMISA-N 415.581 4.761 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1 409361142 QFKDPEYEZPRFLN-UHFFFAOYSA-N 422.550 4.984 0 40 HJAB COCc1cc(C)nc2sc(C(=O)Nc3ccc(Br)cc3C)c(N)c12 409374416 OZQPOXFYKDAAIW-UHFFFAOYSA-N 420.332 4.657 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(F)cccc3F)ccc2C)cc1 409410667 ZMWNRZNGUUQPOV-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB C[C@@]1(O)CCN(CC2CCCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 514289667 AUPYOJWKCSUGPI-QNWVGRARSA-N 404.620 4.501 0 40 HJAB biogenic,in-vitro CCN(C(=O)CCSCCC(=O)N(CC)c1cccc(F)c1)c1cccc(F)c1 515507527 NPOFUJFEPSONTB-UHFFFAOYSA-N 420.525 4.884 0 40 HJAB CN(Cc1ccccc1)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2cccc(F)c2)[C@H]1O 585263543 BFOREAIUEJOGJZ-QKDODKLFSA-N 418.556 4.852 0 40 HJAB Cc1ccc2cc(CNC(=O)c3sc(-c4ccccc4F)nc3C)c(O)nc2c1 585295413 YMRKRLLWCHTONB-UHFFFAOYSA-N 407.470 4.750 0 40 HJAB CC(C)c1cc(-c2nn3c(CSC45CC6CC(CC(C6)C4)C5)nnc3s2)n[nH]1 1501040551 WUWAIXGJHUXYFN-UHFFFAOYSA-N 414.604 4.901 0 40 HJAB COc1ccc(CCNC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)cc1 661631 AENMXDRRCPXOPA-UHFFFAOYSA-N 421.497 4.666 0 40 HJAB COC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@@H]1c1ccc(Cl)cc1Cl 949711 ALSLPGNSRXWXML-QGZVFWFLSA-N 415.280 4.714 0 40 HJAB CCN(CC)C(=O)Oc1c(Br)cc(Br)c2ccc(C)nc12 1073551 YODQROGCYMXMFV-UHFFFAOYSA-N 416.113 4.909 0 40 HJAB COc1cc([C@@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1OC 2146007 BICFVLAOOAUYSK-ZCYQVOJMSA-N 420.461 4.614 0 40 HJAB CCc1nc(SCC(=O)Nc2ccccc2)c2c3c(sc2n1)COC(C)(C)C3 2346175 KRNSVCNJXPBPDA-UHFFFAOYSA-N 413.568 4.836 0 40 HJAB CC[C@H](C)OC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc12 2400926 QPWKSUOHIXQQBN-NSHDSACASA-N 412.852 4.904 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc(C(C)=O)c1C 2794928 ZIPVSTXDAJVHIQ-UHFFFAOYSA-N 411.479 4.607 0 40 HJAB O=C(COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)NCc1ccco1 3234821 XNRQLGGVMAZGPM-UHFFFAOYSA-N 418.371 4.515 0 40 HJAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccccc1Br 4033088 JAKUKEANTOXKEF-UHFFFAOYSA-N 407.271 4.720 0 40 HJAB Cc1ccc(CSc2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)cc1 4507825 UZZPDRMHJNDKRO-UHFFFAOYSA-N 412.518 4.693 0 40 HJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(nc3ccccc32)N1 4735591 IUBHUAJQKBMSTO-QFIPXVFZSA-N 421.497 4.686 0 40 HJAB CCN(C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O)c1ccccc1C 5304987 CGRFFFXBPUIYCW-UHFFFAOYSA-N 415.468 4.559 0 40 HJAB COC(=O)c1cc2c(cc1C[C@@H](Cc1ccc3c(c1)CCCC3)C(=O)OC)CCCC2 5537757 OILATIFACRLTIN-XMMPIXPASA-N 420.549 4.805 0 40 HJAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NCc3ccccc3)n2)cc1 6032628 QOEVBADWVZJKKM-UHFFFAOYSA-N 417.456 4.879 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1O 6170675 ZVCZXBAUZHFTHM-LZYBPNLTSA-N 410.278 4.944 0 40 HJAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccco2)[C@H]1c1cccs1 6875787 UYIQNKDFHFCARH-NHCUHLMSSA-N 408.523 4.594 0 40 HJAB CCc1nnc(S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)O)[nH]1 7342422 YUPIXWADSNEQGY-BOPFTXTBSA-N 415.902 4.817 0 40 HJAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1ccc(-c2ccc(Cl)cc2)o1 7898948 XNHQSOBBNFXROD-IBGZPJMESA-N 412.898 4.719 0 40 HJAB O=C(Nc1ccc(Cl)cc1F)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 7970507 BOLYAIUEQVVQFH-UHFFFAOYSA-N 408.816 4.528 0 40 HJAB COc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)Nc1cc(C)on1 9126766 FJBNOTYJRUHIRQ-UHFFFAOYSA-N 420.494 4.575 0 40 HJAB COc1ccccc1NC(=O)/C=C/c1ccc(OC(=O)c2ccc(F)cc2)c(OC)c1 9495389 SZAMPLOYPONFSR-RIYZIHGNSA-N 421.424 4.714 0 40 HJAB C[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 9602854 DFXNYVDRYBJMKD-OAHLLOKOSA-N 419.447 4.827 0 40 HJAB Cc1ccc(C(=O)N(C)c2ccccc2)cc1S(=O)(=O)Nc1cccc(C)c1C 10112097 CKMJYVPSRVTRAF-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB COc1cc(N[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)ccc1N1CCCC1=O 10184760 KTNCFWFDNJFJIN-GFCCVEGCSA-N 422.312 4.568 0 40 HJAB O=C(Nc1cccc(Br)c1)c1nn(-c2ccc(F)cc2)c2c1CCC2 10321259 CWRSKQIIDGTBDW-UHFFFAOYSA-N 400.251 4.515 0 40 HJAB O=C(CCc1c[nH]c2ccccc12)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 10822387 NGNJAVXWVSRMIW-UHFFFAOYSA-N 416.521 4.726 0 40 HJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cccc(Cl)c2)cc1 11115682 WIQYFZJGTHLEOZ-UXHICEINSA-N 413.930 4.856 0 40 HJAB Cc1ccccc1-n1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1-c1cccnc1 12545720 FILRCGSOLDXUMP-HNNXBMFYSA-N 406.515 4.997 0 40 HJAB CCCc1ccc(-c2csc(NC(=O)c3c(C)nc(-c4ccco4)[nH]c3=O)n2)cc1 12763069 ZXVUFJSDXNDWDY-UHFFFAOYSA-N 420.494 4.667 0 40 HJAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@@H]1Cc2ccccc2S1 12765526 YYPTZDUKQOIVIT-FQEVSTJZSA-N 404.539 4.635 0 40 HJAB COc1cc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)cc(OC)c1OC 13221601 CQHSBSDSIFGRJQ-UHFFFAOYSA-N 415.449 4.575 0 40 HJAB COc1cc2ccnc(CCCc3nccc4cc(OC)c(OC)cc34)c2cc1OC 13283718 PINOXMHMQPLDSD-UHFFFAOYSA-N 418.493 4.993 0 40 HJAB COc1ccc(CN(CC[C@]2(c3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)C(C)=O)cc1 13756239 UCRIIXJATPHSML-UZINWLIJSA-N 408.586 4.732 0 40 HJAB O=C(CCC(=O)c1cccs1)NCCC(=O)Nc1ccc(Oc2ccccc2)cc1 15630919 NGMXJXFHLPYZJF-UHFFFAOYSA-N 422.506 4.648 0 40 HJAB CC(C)Sc1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1 15987319 YBOIOOGZDRFKRI-MRXNPFEDSA-N 402.520 4.860 0 40 HJAB Cc1cc([C@H]2CCCCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)on1 19120165 CGWLCULULITPGL-MRXNPFEDSA-N 415.444 4.598 0 40 HJAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 19692084 RLBNTNMCQZCYDJ-QHCPKHFHSA-N 410.533 4.869 0 40 HJAB CC(C)(Br)C(=O)Nc1nc2c(Br)cc(Cl)cc2s1 20133182 AGJJJVXIUDOIEJ-UHFFFAOYSA-N 412.534 4.824 0 40 HJAB O=C(c1cccc(Cl)c1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 21687563 CADGWLNIEBPQTL-UHFFFAOYSA-N 415.921 4.561 0 40 HJAB COc1ccc2cc(COC(=O)Cc3coc4cc(OC)ccc34)c(Cl)nc2c1 22694950 RNPQMHIGMXMDIN-UHFFFAOYSA-N 411.841 4.938 0 40 HJAB COc1ccccc1-n1c(SCc2ccc(Cl)nc2)nnc1N1CCCCC1 23382926 XVDMMXJSOJFOSH-UHFFFAOYSA-N 415.950 4.607 0 40 HJAB O=C(NCc1ccc(N2CCCC2)nc1)[C@H](Sc1ccccc1)c1ccccc1 30296794 KUJOQGJZEGJLME-HSZRJFAPSA-N 403.551 4.832 0 40 HJAB Cc1ccc([C@@H](NC(=O)NCc2ccc(Cn3cccn3)cc2)c2cccs2)cc1 32802082 QJHXJSQIRYYCDV-HSZRJFAPSA-N 416.550 4.890 0 40 HJAB Cc1ccc(-c2nn3c(c2C)N=C(O)C[C@@H]3C(=O)Nc2cc(F)c(F)c(F)c2)cc1 35684972 ONAOZWMLCNKCEP-MRXNPFEDSA-N 414.387 4.756 0 40 HJAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1cccc(C(F)(F)F)c1)CC3 40096046 ROJXLTVPRRZRHY-UHFFFAOYSA-N 417.387 4.564 0 40 HJAB CCN1CCN(c2ccc(NC(=O)N[C@@H](C)c3cc4ccccc4o3)c(C)c2)CC1 40103851 FJQDJMXFKCKYKX-SFHVURJKSA-N 406.530 4.766 0 40 HJAB Cc1cccc(C)c1-n1cnc2nc(N3c4ccccc4C[C@H]3C)[nH]c(=O)c2c1=S 40385788 WGCXHRWWTFVVID-OAHLLOKOSA-N 415.522 4.538 0 40 HJAB O=c1c2c(-c3ccccc3Cl)n3ncnc3nc2ccn1CCC1=CCCCC1 40398077 WPXCRXYRLKIZIS-UHFFFAOYSA-N 405.889 4.650 0 40 HJAB COc1ccc2[nH]c(CN(CCCn3ccnc3)Cc3cccc(F)c3)c(C)c2c1 43277713 LFYCNKMDJGEUDZ-UHFFFAOYSA-N 406.505 4.913 0 40 HJAB O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)c1ccc(Br)cc1 44900723 XVECOMSSYUEMDF-UHFFFAOYSA-N 419.278 4.709 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCc3ccc(O)cc3)cc12 48309953 XAOFLCPOZUFION-UHFFFAOYSA-N 411.914 4.744 0 40 HJAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(F)cc2Cl)c(=O)c1C 57528279 BAQACLDOOVXCHB-UHFFFAOYSA-N 420.271 4.612 0 40 HJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cc(C)ccc3C)oc12 67298940 HTLFDBFOBIANJD-LCUIJRPUSA-N 402.450 4.814 0 40 HJAB c1ccc(CN2CC[C@H](NCc3ccc4c(c3)OCO4)[C@H](c3ccccc3)C2)cc1 72341586 KXBHLDGIMNJBAC-ZEQRLZLVSA-N 400.522 4.563 0 40 HJAB O[C@@H](c1ccc(Br)cc1)c1nc(-c2ccc(Br)cc2)c[nH]1 72414123 TWAYZZFGDGXNFT-HNNXBMFYSA-N 408.093 4.683 0 40 HJAB O=S(=O)(c1ccc(Cl)c2ncccc12)N(Cc1ccccc1)c1ccncc1 84535756 YXSGWMODQHMGDY-UHFFFAOYSA-N 409.898 4.679 0 40 HJAB CCOC(=O)c1cn(Cc2ccc(C)cc2)c2cc(C(F)(F)F)c(F)cc2c1=O 199801470 NAYLJXNICJHHBE-UHFFFAOYSA-N 407.363 4.693 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 222493590 QBUFFPCQUFGXHD-HSZRJFAPSA-N 424.585 4.631 0 40 HJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(OC)cc3)N21 222708024 RWFVPQPMKPUOHC-KNXBSLHKSA-N 404.539 4.860 0 40 HJAB CCc1ccc(O[C@@H](CC)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 222902592 IEXFMMOFMORYLB-IBGZPJMESA-N 413.905 4.768 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl 223082085 ZTGRFQZFSMGZHW-HOTGVXAUSA-N 421.368 4.868 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 223613008 OXKDHJNYJLLRPM-HSZRJFAPSA-N 424.585 4.658 0 40 HJAB COCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 224092091 JHPILZSYTDWHKL-UHFFFAOYSA-N 424.522 4.503 0 40 HJAB CCCC[C@@H](CC)CNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 224100752 IATCYDBMKUJXDC-LJQANCHMSA-N 408.608 4.506 0 40 HJAB Cc1ccc(OCCNC(=O)COc2ccc(C(C)C)cc2Br)cc1C 224250528 FXZRREFTMREOIW-UHFFFAOYSA-N 420.347 4.763 0 40 HJAB CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 224541668 LMCCRVZRDKGSRU-UHFFFAOYSA-N 416.499 4.601 0 40 HJAB COc1ccc(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)cc1 224886893 GQOGXOBLGPAKII-UHFFFAOYSA-N 401.260 4.684 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1C(C)C 225167793 NJUBMSTUQWQLEH-UHFFFAOYSA-N 420.556 4.577 0 40 HJAB Cc1cccc(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)c1C 225818421 KCSULGORQQFDCQ-UHFFFAOYSA-N 400.276 4.687 0 40 HJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)C4(c5ccccc5)CC4)cc32)cc1 225988737 XPLQDKKGDCONIY-UHFFFAOYSA-N 412.489 4.568 0 40 HJAB CCC(=O)N1CCC(Cc2cccc(-c3ccccc3C)c2)(C(=O)NC(C)C)CC1 257230064 GAPZTLRGCQNMMZ-UHFFFAOYSA-N 406.570 4.748 0 40 HJAB COc1cccc([C@@]2(O)CC(C)=NN2C(=O)COc2ccc(C3CCCCC3)cc2)c1 408564371 ZJCQCJHQAZHVJQ-VWLOTQADSA-N 422.525 4.575 0 40 HJAB Cc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1Cl 408662462 DLKUKVCPURRNEQ-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(O)c(Br)c2)S1 408804222 DKOWRWGPJQATAH-UHFFFAOYSA-N 424.727 4.880 0 40 HJAB Cc1cccc(Nc2cc(C3CCN(C(=O)/C=C/c4csc(C)n4)CC3)ccn2)n1 585292277 ZOVAWSXHLCWZFR-VOTSOKGWSA-N 419.554 4.713 0 40 HJAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3ccccc3)CC2)C1 643570918 YLMRHUPJOQATNZ-UHFFFAOYSA-N 406.570 4.646 0 40 HJAB CC(C)(C)n1ncc(C(=O)N2CCCO[C@H](c3ccccc3)C2)c1-c1ccccc1 683114802 QFDZXUDQDOLHTJ-QFIPXVFZSA-N 403.526 4.909 0 40 HJAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)N1CCCCCC1 901454 JUGJOCGUWZVKBX-UHFFFAOYSA-N 401.479 4.719 0 40 HJAB CCOc1ccc(Cc2nc3c4c5c(sc4ncn3n2)C[C@@H](C)CC5)cc1OCC 2790327 RZDSWEMPHKFALM-AWEZNQCLSA-N 422.554 4.852 0 40 HJAB COC(=O)CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)cc1 3104282 COIKPCVGWMTIRT-UHFFFAOYSA-N 414.811 4.976 0 40 HJAB Cc1ccc(-c2cc(C(=O)OCC(=O)NCc3cccs3)c3ccccc3n2)cc1 3362781 SNKANWZELDJPFZ-UHFFFAOYSA-N 416.502 4.745 0 40 HJAB Cc1nc(CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)cs1 3501008 VXZVFGFQJLJQCR-UHFFFAOYSA-N 408.508 4.720 0 40 HJAB CCCCCCC1=NN(C(=O)COc2c(C)cc(C)cc2C)[C@@](O)(C(F)(F)F)C1 4551185 FXCXWJMCYOWVME-FQEVSTJZSA-N 414.468 4.800 0 40 HJAB COc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1ccc(Br)c(C)c1 4852759 KTGKXZMLWBOGBR-DNVCBOLYSA-N 403.276 4.536 0 40 HJAB O=C(CN1CCC(C(=O)c2ccccc2)CC1)Nc1ccc(N2CCCCCC2)cc1 4858902 OIPPIVCORIKUJG-UHFFFAOYSA-N 419.569 4.600 0 40 HJAB Cc1ccc(NC(=O)[C@H](Sc2nnc(-c3ccco3)n2C)c2ccccc2)cc1 5862132 UYJGYEDZUJIDAI-LJQANCHMSA-N 404.495 4.856 0 40 HJAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 6164526 FWIDPYSSYYCBEE-DYESRHJHSA-N 421.493 4.864 0 40 HJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(I)cc1 6249129 FZMBZDMLCAKFQF-UHFFFAOYSA-N 406.267 4.534 0 40 HJAB COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 6638083 OZWJIRUTARKFMR-UHFFFAOYSA-N 416.502 4.524 0 40 HJAB CCOc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC 6876136 AOOFTHWJNWYICF-ZDUSSCGKSA-N 412.313 4.827 0 40 HJAB Cc1c(-c2ccccc2)sc2ncnc(Sc3nnc(CN4CCCC4)o3)c12 8312348 SOVWZTBMAOIHEP-UHFFFAOYSA-N 409.540 4.797 0 40 HJAB Cc1ccc(CSCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 8412776 NIBRHLOAEAKWIV-UHFFFAOYSA-N 411.354 4.632 0 40 HJAB COc1ccccc1-c1nnc(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)o1 8428338 SVJRNXIWHWISTF-LJQANCHMSA-N 409.511 4.591 0 40 HJAB Cc1ccc(NC(=O)Cn2nc(COc3ccccc3C)oc2=S)cc1Cl 8571597 CBJPFWWRFVLIKR-UHFFFAOYSA-N 403.891 4.694 0 40 HJAB Ic1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)o1 9477420 XFIKCNNCHKOQJH-GOSISDBHSA-N 413.218 4.873 0 40 HJAB CCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](c1ccccc1O)C3 10156939 OHDFOSFJIKTKCN-CQSZACIVSA-N 418.884 4.625 0 40 HJAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccc(F)cc4)cc3C[C@@H]2C)cc1 10326638 GKIUNOSWXGNDKB-INIZCTEOSA-N 424.497 4.526 0 40 HJAB O=C(CCCn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccc(Cl)c(Cl)c1 12440972 YHNHTURGAGYVFG-UHFFFAOYSA-N 420.271 4.775 0 40 HJAB CCN(CC)c1ccc(C(=O)OCc2nc3ccccc3c(C)c2C(=O)OC)cc1 12545486 KWVLCIDOIAOJFR-UHFFFAOYSA-N 406.482 4.533 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2nc3ccccc3s2)c(Br)c1 12772571 KXMJMLLMGXKELE-CYBMUJFWSA-N 418.360 4.826 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@H](NCC(=O)Nc2c(C)cccc2C)c2ccccc2)c1 12905904 GHNRRNNQMKTEGI-RUZDIDTESA-N 415.537 4.828 0 40 HJAB O=C(c1ccc(Br)o1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 12976574 YOEINVFBMVQLME-UHFFFAOYSA-N 422.666 4.550 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccco1 13331590 GQAGHXQIKOLOES-UHFFFAOYSA-N 411.266 4.640 0 40 HJAB CCOc1ccc(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C)cc1 13635596 WNULXDKLAWLRJS-UHFFFAOYSA-N 421.888 4.713 0 40 HJAB CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 14091730 QEKNCCCDOVJSTM-UHFFFAOYSA-N 424.570 4.752 0 40 HJAB O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1cccc(Cl)c1 14113861 PRFJEIVCZFSKQT-MRXNPFEDSA-N 400.809 4.728 0 40 HJAB COc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(Cl)cc2)cc1 15413387 AKDWYQNYDWIJQG-QHCPKHFHSA-N 420.896 4.778 0 40 HJAB Cc1cccc(C)c1OC[C@@H](O)Cn1c(COc2ccccc2)nc2ccccc21 16903153 JNKIDKMSQGTALD-FQEVSTJZSA-N 402.494 4.672 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1nccn2nc(-c3ccccc3)cc12 16959562 DPLBJYYIFGKHEN-UHFFFAOYSA-N 424.913 4.789 0 40 HJAB Cc1ccc(OCCCC(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2)c(C)c1 19132800 NJURTZQXLKYWJG-NRFANRHFSA-N 404.514 4.611 0 40 HJAB O=C(CCc1ccccc1)N1CCO[C@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19687744 UWOZXPFCLWEVCH-QHCPKHFHSA-N 406.913 4.935 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)cc1 20109012 DKYHTCFMURMNKE-HSZRJFAPSA-N 420.534 4.603 0 40 HJAB CCC[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccccc3)N2C1=O 21936263 NFBWYWYEQGITHX-RTBURBONSA-N 420.538 4.596 0 40 HJAB CC(C)c1ccccc1N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 22393731 KGAIEPPOTDIQOO-UHFFFAOYSA-N 415.342 4.522 0 40 HJAB O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)Nc1cccs1 22504991 BFPKDHKUNCFSJS-UHFFFAOYSA-N 413.524 4.534 0 40 HJAB Cc1cccc(-n2c(S[C@H](C)c3nc(C(C)(C)C)no3)nc3ccccc3c2=O)n1 24755892 JKPZDFRIICNMHT-CQSZACIVSA-N 421.526 4.623 0 40 HJAB Cc1ccc(C)c(C(=O)Cn2nc(N)n(Nc3ccc(C(C)(C)C)cc3)c2=S)c1 28527379 ZWSBIZCRUIGOEU-UHFFFAOYSA-N 409.559 4.669 0 40 HJAB CC(C)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2cc(Cl)ccc21 32091748 IABWCDXRBHJFDP-OAQYLSRUSA-N 400.910 4.572 0 40 HJAB Cc1cccc(C)c1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 33661236 YSIDJUYWONIYET-HSZRJFAPSA-N 406.507 4.923 0 40 HJAB CCn1nc(C)c(-c2nn3c(Cc4c(Cl)cccc4Cl)nnc3s2)c1C 36365256 XBALLQSWUFDKHG-UHFFFAOYSA-N 407.330 4.584 0 40 HJAB O=C(NCCCc1ccc(Cl)cc1)C1CCN(Cc2ccccc2Cl)CC1 39767150 TYXHJMVNOSNFFK-UHFFFAOYSA-N 405.369 4.954 0 40 HJAB Cc1cc([C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c(C)s1 40080825 TWQHTGBIUNKDGJ-KXBFYZLASA-N 412.580 4.645 0 40 HJAB C[C@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(C(F)(F)F)cc1 40086886 YXZFMZNVBYTTPZ-AWEZNQCLSA-N 413.399 4.844 0 40 HJAB CC(C)c1cc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)nn1C(C)(C)C 44402683 MTMASQUPCAXVBQ-UHFFFAOYSA-N 402.926 4.794 0 40 HJAB Cc1ccc(-c2noc([C@H](C)OC(=O)c3sc(-c4ccccn4)nc3C)n2)cc1F 48249852 GFCQUQOMCQESQZ-ZDUSSCGKSA-N 424.457 4.929 0 40 HJAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N(Cc3ccccn3)C3CC3)c12 48286133 JHQOANITDYYYMB-UHFFFAOYSA-N 402.429 4.537 0 40 HJAB Cc1sc2ncnc(SCC(=O)N[C@H]3CCCOc4ccc(F)cc43)c2c1C 54283374 WZNQTWBPCNJJSX-HNNXBMFYSA-N 417.531 4.569 0 40 HJAB CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 58029586 SWUFIEQSZKXKRR-YCXMXDNOSA-N 419.565 4.620 0 40 HJAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)Nc2ccccc2Cl)cc1 58162360 HZFKLECNTVWLOL-HSZRJFAPSA-N 421.928 4.899 0 40 HJAB Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4nnc(C(F)F)s4)cc3)o2)c1 65552183 AQQAOBRWZFIXQC-UHFFFAOYSA-N 413.409 4.753 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2N(C(C)C)C(C)C)cc1 72213055 GKHFWXOBIXYHKI-QFIPXVFZSA-N 415.603 4.929 0 40 HJAB COc1cccc(OCCc2cc([C@H]3CCN(C/C(C)=C/c4ccccc4)C3)n[nH]2)c1 72371559 BHNMVWAVTHFTAL-QDUHJBTASA-N 417.553 4.933 0 40 HJAB CN1CCCc2cc(C(=O)N3CCC[C@H]3c3cccc(Nc4nccs4)n3)ccc21 72375904 DBPAROGLESZZDM-FQEVSTJZSA-N 419.554 4.641 0 40 HJAB Clc1ccc(Br)c2ccc(N3CCO[C@@H](c4nccs4)C3)nc12 95462960 ZLKJWYWCEJQHSG-CYBMUJFWSA-N 410.724 4.685 0 40 HJAB COc1ccc(N2C(=O)/C(=C\Nc3ccc(C)cc3)c3ccccc3C2=O)cc1OC 105308625 WJAKQODMZAWBGD-QNGOZBTKSA-N 414.461 4.652 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219684891 INHGVLNJUIBJCQ-CXAGYDPISA-N 404.304 4.635 0 40 HJAB CC[C@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1 222537941 LGCVGPGPIRLFTN-QHCPKHFHSA-N 422.550 4.701 0 40 HJAB CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 223053991 GDIJNRVEKISWJU-VWLOTQADSA-N 414.549 4.743 0 40 HJAB CCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 223858969 BRUSWQYSFVASNT-GOSISDBHSA-N 422.550 4.849 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 225226768 IEVHRYIAOOXRLI-OAQYLSRUSA-N 400.950 4.606 0 40 HJAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C)c1ccc(C)cc1C 225717632 CMGPMBVUJAUIDL-SFHVURJKSA-N 418.584 4.690 0 40 HJAB Cc1cc(NC(=O)C(F)(F)F)cc2nc(Cc3ccc(Br)cc3)oc12 226271230 BJUJNOAAYUVEIV-UHFFFAOYSA-N 413.193 4.990 0 40 HJAB Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)s1 257285856 PJEWTHOHJOCYCV-LJQANCHMSA-N 413.518 4.774 0 40 HJAB C[C@H](NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1C)c1ccccc1 408561005 UJIKNQSLJZYDMT-KRWDZBQOSA-N 416.550 4.529 0 40 HJAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2nc(SCc3ccccc3)sc2c1 408751069 WBLFDCRMGKNGRZ-IQGAEYHTSA-N 418.543 4.900 0 40 HJAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 409005469 DUXCJFXBXMRMTD-BEFAXECRSA-N 411.527 4.589 0 40 HJAB CCCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccc(Cl)cc1 409107099 UUHMJHBQMDTRLU-GJZGRUSLSA-N 406.983 4.890 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3OC)cc2)cc1 409176298 JWSMAIUZODYYNB-UHFFFAOYSA-N 405.450 4.703 0 40 HJAB COc1cccc(C(=O)OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 409195274 GXTSLBJDBNVALI-UHFFFAOYSA-N 419.521 4.959 0 40 HJAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c1 409345720 JFEQHMZWKKRXNH-WQRHYEAKSA-N 401.871 4.658 0 40 HJAB Cc1ccccc1-c1ccc(CC2(C(=O)N(C)C3CCN(C)CC3)CCOCC2)cc1 643550416 GOAAOVDRQQJOCH-UHFFFAOYSA-N 420.597 4.554 0 40 HJAB CC(=O)N1CCC(N2CCC3(CC2)CO[C@H](c2ccc(F)cc2)[C@@H](C(C)C)C3)CC1 1615190945 DRCWCDWRRQLSJY-DNQXCXABSA-N 416.581 4.652 0 40 HJAB COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1 688041 VQYVKQPXIGFYJJ-XMMPIXPASA-N 420.534 4.852 0 40 HJAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1cccc2ccccc12 882835 NKDDUIBLRPVOGT-UHFFFAOYSA-N 411.490 4.700 0 40 HJAB COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 2439614 BGOOATJOTYEQMU-QGZVFWFLSA-N 424.865 4.661 0 40 HJAB CCOc1ccc([C@H]2C[C@@H](c3c(Cl)cccc3Cl)n3nc(N)nc3N2)cc1 3642405 NXGPFFHFQKGHBH-CVEARBPZSA-N 404.301 4.712 0 40 HJAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1 4029372 MNZJUZFZFRKBCR-MRXNPFEDSA-N 415.445 4.875 0 40 HJAB biogenic CC(C)Cn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccccc1F 4469194 DPAFCYHTVDQVNV-QAPCUYQASA-N 404.555 4.527 0 40 HJAB CCCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2ccccc2C)c2ccccc21 4590137 PPTGDTFQVVALMR-FXBPSFAMSA-N 421.500 4.991 0 40 HJAB CCCCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(OCC)cc2)cc1 4599656 UDDDHELCQNHLPE-UHFFFAOYSA-N 416.543 4.575 0 40 HJAB COc1cccc(-c2nnc(-c3cccc(NC(=O)c4ccc(F)cc4F)c3)o2)c1 4722492 LWHYMHFQBICUDX-UHFFFAOYSA-N 407.376 4.943 0 40 HJAB CCc1ccc(Nc2nnc(SCC(=O)c3ccc(OC)c(OC)c3)s2)cc1 4895302 HODAACFWGZKDDW-UHFFFAOYSA-N 415.540 4.836 0 40 HJAB COc1cccc(NC(=O)[C@H](Oc2ccc(-c3nnco3)cc2)c2ccccc2)c1 5429297 QDJGSNPBFLSIMR-OAQYLSRUSA-N 401.422 4.504 0 40 HJAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc3ccccc23)cc1 5468268 QZWRQGQQQZIREJ-UHFFFAOYSA-N 410.539 4.903 0 40 HJAB Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1ccc(N2CCCCC2)cc1 5619736 LIXQDRHDSCQWHH-UHFFFAOYSA-N 421.570 4.605 0 40 HJAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1C(=O)c1ccccc1 6085360 BVYHGSSOURLJOS-UHFFFAOYSA-N 417.505 4.616 0 40 HJAB CCCCn1c(-c2ccc(OC)cc2)nc2c(sc3nc(C)cc(COC)c32)c1=O 6659356 XWUXCSOYMWCLFL-UHFFFAOYSA-N 423.538 4.937 0 40 HJAB COc1cc(C(=O)Nc2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(F)cc1 6788743 FJVIQECRCOKVLA-UHFFFAOYSA-N 422.456 4.721 0 40 HJAB CCn1c(C)cc(C(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)c1C 7671960 IQLJBGMTPVWISB-UHFFFAOYSA-N 411.552 4.816 0 40 HJAB O=C(NCCc1ccc2c(c1)OCCO2)[C@H](Sc1ccccc1)c1ccccc1 8076615 FZPKUACEECODKP-HSZRJFAPSA-N 405.519 4.650 0 40 HJAB CC[C@@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc(C)cc1 8133275 WMPGMZRQNDBHQJ-GOSISDBHSA-N 406.511 4.886 0 40 HJAB O=C(NCCOc1ccc2ccccc2c1)c1cccc(NC(=O)c2cccs2)c1 8316241 UDNCVJYAFSVRFD-UHFFFAOYSA-N 416.502 4.962 0 40 HJAB Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)Nc2cc(Cl)ccc2C)c1 8417648 ZUWBZRCYSYFYHY-UHFFFAOYSA-N 416.905 4.556 0 40 HJAB Cc1sc2nc(CSc3nnc(Nc4ccccc4F)s3)[nH]c(=O)c2c1C 9613234 PCQORZWHSRGLCX-UHFFFAOYSA-N 419.532 4.628 0 40 HJAB CCCc1ccc(-c2csc(NC(=O)COc3ccc(C(C)=O)cc3OC)n2)cc1 9781174 CEEHSVPSPQWHNR-UHFFFAOYSA-N 424.522 4.991 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3c(C)cccc3C)c2C)cc1 10314835 PPUARTZUJRNBAM-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB O=C1c2ccccc2N[C@@H](c2cc(Cl)c3c(c2)OCCCO3)N1CC(F)(F)F 12600508 KKPQMTFOTANZMX-QGZVFWFLSA-N 412.795 4.630 0 40 HJAB COc1cc(OC)c(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1Cl 12927592 GBIPSUIVOFZATQ-UHFFFAOYSA-N 413.817 4.714 0 40 HJAB COC(=O)CCCNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 12987658 WPIPTVKARNODAE-UHFFFAOYSA-N 404.495 4.785 0 40 HJAB Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c(Cl)c1 14669518 ALLHFMQHBKZIMO-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB COC(=O)C[C@@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc(Cl)cc1 17587953 IXCVDBZGYGJTQS-CYBMUJFWSA-N 406.916 4.559 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCCN2C(=O)Cc2cccc(Cl)c2)on1 19121849 GWLUJBDHWFFEAL-IBGZPJMESA-N 410.905 4.698 0 40 HJAB Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)C3CCCCC3)CC2)on1 19122777 ZWDURXYNELTCAQ-UHFFFAOYSA-N 411.550 4.547 0 40 HJAB CC1(C)Cc2c(cnn2Cc2cccc(Cl)c2)[C@@H](NC(=O)Cc2ccccc2)C1 19461650 LUGDNRHQFKUVMS-NRFANRHFSA-N 407.945 4.957 0 40 HJAB CCCC(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(=O)NC2CC2)C1 19501222 BBPSPSZOJFEIOU-DEOSSOPVSA-N 410.583 4.645 0 40 HJAB COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(Cc4cccs4)C[C@H]23)c1 19566377 BJGIOAUHGAULBE-WXFUMESZSA-N 424.610 4.763 0 40 HJAB COc1ccccc1-c1noc(C)c1C(=O)N1CCC[C@H](COc2ccccc2F)C1 19579648 NJVROLOAQKZTNW-KRWDZBQOSA-N 424.472 4.729 0 40 HJAB Cc1[nH]c2cccc(C(=O)N3CCCC[C@H]3CCNC(=O)c3ccccc3)c2c1C 19748972 MZKDXDUURATMQE-FQEVSTJZSA-N 403.526 4.600 0 40 HJAB CCOc1ccc(CCNC(=O)c2cccnc2Nc2cccc(C)c2)cc1OCC 22072022 FMVLNJKJSXCTAG-UHFFFAOYSA-N 419.525 4.904 0 40 HJAB Cc1noc(C(C)C)c1C(=O)OCC(=O)N1c2ccccc2CCc2ccccc21 22975397 ONEKNICFBXRMJI-UHFFFAOYSA-N 404.466 4.727 0 40 HJAB C[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2csc(-c3ccccc3Cl)n2)C1=O 24964109 RECODBBBEKAOJQ-HXUWFJFHSA-N 415.877 4.570 0 40 HJAB O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)c1cccc(C(F)(F)F)c1 27921122 PEXYURQOFMMPTL-UHFFFAOYSA-N 424.220 4.965 0 40 HJAB O=C(c1ccc(F)cc1I)N1CCCSc2ccccc21 31700580 MUHJBUXJLOKBSN-UHFFFAOYSA-N 413.255 4.573 0 40 HJAB CC(C)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cc(Cl)ccc21 32074129 RJAOMNIGEOHPDT-HSZRJFAPSA-N 420.900 4.806 0 40 HJAB Cc1cc(C)c2c(=O)cc(CSCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c2c1 33064093 LVAXGAMDLORRNX-UHFFFAOYSA-N 404.894 4.809 0 40 HJAB Cc1ccc2c(C(=O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C)[nH]c2c1 35999905 XRYLEVHEEGBXKR-UHFFFAOYSA-N 415.459 4.808 0 40 HJAB CCOc1cc(C(=O)N2CCCc3cc(OC)ccc32)ccc1OCc1ccncc1 40059742 MALPAMLLEYDWQT-UHFFFAOYSA-N 418.493 4.661 0 40 HJAB O=c1c2cnc3c(-c4ccc(F)cc4)cnn3c2ccn1Cc1ccccc1Cl 40396562 JAWWWWMVKDUUCJ-UHFFFAOYSA-N 404.832 4.552 0 40 HJAB C[C@@H]1CCc2c(sc3nc(-c4ccc(-c5cccc(C(=O)O)c5)o4)[nH]c(=O)c23)C1 41076806 FZWUSULSNNVZNY-LLVKDONJSA-N 406.463 4.735 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(F)c3)cc2Cl)cc1 44947478 GCCGFYXKAHBAEW-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 48374755 KDDHCYNAXCSMEL-IFXJQAMLSA-N 413.880 4.575 0 40 HJAB CC(C)[C@H](C(=O)Nc1ccc(Nc2ccc(F)cc2)c2ccncc12)N1CCCC1=O 72275043 ULOFULVQBAKGFK-HSZRJFAPSA-N 420.488 4.703 0 40 HJAB CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccc(OC)cc3)CC2)c2ccccc21 96053046 ICSQZDCMHDMWDQ-QFIPXVFZSA-N 420.597 4.975 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C 222710736 CKWFHNSTBWBQPP-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 222992895 SREOFLZHRCGDEW-HXUWFJFHSA-N 424.585 4.697 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 223809222 GXLVTQYWPBROIP-NRFANRHFSA-N 418.940 4.745 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 224180370 DGHOHZSBJMKQHY-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 224618010 QEAJFVSBXYSVOF-DEOSSOPVSA-N 424.585 4.734 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 225137412 WRYUPZDJIVBDHU-ZWKOTPCHSA-N 400.950 4.605 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCSCc2ccccc2)c1 225598464 ANKKCWKCBQAOQG-UHFFFAOYSA-N 402.585 4.782 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 225608159 RZIKDQFAUIROHJ-PGRDOPGGSA-N 414.977 4.913 0 40 HJAB CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCCN(Cc4cccc(C(=O)O)c4)[C@H]3C[C@@H]21 257220808 DMGAVNWKNFIBAT-BAMDZGJYSA-N 407.510 4.667 0 40 HJAB Cc1cccc2nc(C(=O)N3CCC[C@H]3c3ncc(Cc4cccc(Cl)c4)o3)cn12 257264983 LWVAMMGVOSYCFD-FQEVSTJZSA-N 420.900 4.852 0 40 HJAB Cc1ccccc1Cc1cccc([C@H]2CN(C(=O)c3nccc4ccccc34)CCO2)n1 257343492 ZTGHRPLWRXVFQQ-RUZDIDTESA-N 423.516 4.743 0 40 HJAB CCCCOc1ccc(C(=O)Oc2ccc(-c3cc(OC)ccc3OC)nn2)cc1 408534216 UGAVEYQNPUYBCW-UHFFFAOYSA-N 408.454 4.559 0 40 HJAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]21)c1ccccc1 409369411 MSANGIVSAPSHGN-UKAVVXHISA-N 420.306 4.844 0 40 HJAB CCCCCCN1C[C@@H]2Oc3cc(-c4ccc(F)cc4F)ccc3C(=O)N(C)[C@@H]2C1 514289991 QROGGVHHKYJECS-GGAORHGYSA-N 414.496 4.729 0 40 HJAB biogenic,in-vitro COc1ccc(-c2cccc(C(=O)N3CCc4nc5ccncc5cc4C3)c2C)cc1 585294089 MQEOGDOOSZETMU-UHFFFAOYSA-N 409.489 4.812 0 40 HJAB O=C(CC1CCC2(CC1)CCN(C(=O)c1cccc(Cl)c1)CC2)N1CCCC1 2055824342 AEXKLENIKDUDDZ-UHFFFAOYSA-N 402.966 4.765 0 40 HJAB COc1ccc(NC(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C2CCCC2)cc1 1327296 MMYIHODEVODQFQ-UHFFFAOYSA-N 421.497 4.522 0 40 HJAB CCCc1nc2ccccc2n1CC(=O)N(c1c(C)cccc1CC)[C@H](C)COC 1470657 CCHSEWZHECKFGV-LJQANCHMSA-N 407.558 4.928 0 40 HJAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 1962654 IQRIKRXJULREPH-UHFFFAOYSA-N 415.489 4.838 0 40 HJAB CCC(=O)N(Cc1ccc(OC)cc1)C(=O)CC[C@]1(C(C)C)CCOC(C)(C)C1 2357826 KPTQCHDSSLJPRC-DEOSSOPVSA-N 403.563 4.972 0 40 HJAB C[C@H](O)CNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 2388820 JGHSMYUMZVAXTQ-ZDUSSCGKSA-N 420.538 4.551 0 40 HJAB CC(C)CCNC(=O)CSc1nc(NCCc2ccccc2)c2ccccc2n1 2941494 STKVJVHSQMVQPD-UHFFFAOYSA-N 408.571 4.539 0 40 HJAB CC(C)N(C(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)C(C)C 3457629 IUJMHJSZBNEXNT-UHFFFAOYSA-N 423.435 4.646 0 40 HJAB C[C@H](Sc1nnc(COc2cccc3ccccc23)n1-c1ccccc1)C(=O)O 5015002 HFLDQTSTAMSRBW-HNNXBMFYSA-N 405.479 4.565 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1oc2ccccc2c1NC(=O)C1CCCCC1 5107114 WBWZEJDSXPEJME-UHFFFAOYSA-N 420.465 4.975 0 40 HJAB COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(=O)Nc2ccc(C)cc2)n1 6463791 NDUJEUIOMSMAKE-LBPRGKRZSA-N 402.907 4.561 0 40 HJAB Cc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccccc3)[C@@H]2c2cccs2)cc1 6648795 GKZNDLUYJYDUBS-NZQKXSOJSA-N 404.535 4.857 0 40 HJAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 7905132 KDCYXZTWPQGBSM-CYBMUJFWSA-N 412.559 4.839 0 40 HJAB COc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)Nc1ccc(Cl)cc1 8113157 XVCWTTNDBLMZJZ-UHFFFAOYSA-N 418.946 4.528 0 40 HJAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C)c(Cl)c4)c3)C(=O)[C@@H]2C1 8472491 RYOWJCCCQQIMLW-RTBURBONSA-N 408.885 4.746 0 40 HJAB CC(C)c1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 8499476 YMHIUAGHIGSUCU-UHFFFAOYSA-N 408.951 4.648 0 40 HJAB COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 8657350 ZECSJLUFFPOTMO-GOSISDBHSA-N 415.468 4.753 0 40 HJAB C[C@H](Nc1ccccc1Oc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 9477502 DGUURSRTSGYCHM-IBGZPJMESA-N 417.509 4.755 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(=O)n(Cc2cccc(F)c2)c1 10187841 UAKZWGCWHGRVMC-UHFFFAOYSA-N 424.781 4.960 0 40 HJAB Cc1ccc(-c2ccc(OCCNC(=O)c3ccc(-c4ccccc4)cc3)nn2)cc1 10335873 NHZNSJDGMFAQHZ-UHFFFAOYSA-N 409.489 4.928 0 40 HJAB O=C(NCC1(c2ccccc2)CCCC1)C1CCN(c2nc3ccccc3o2)CC1 10824383 AKSWXVAZEZDAMR-UHFFFAOYSA-N 403.526 4.672 0 40 HJAB Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)c1 12062367 IYEKFUXXFGOAAE-UHFFFAOYSA-N 423.582 4.774 0 40 HJAB COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(OC)c2)c1 12196657 AVOOUKXSTYTVLC-RCZVLFRGSA-N 416.477 4.955 0 40 HJAB O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1cccc(-c2nc3ccccc3s2)c1 12905045 MFXXMEJYKFLILG-LJQANCHMSA-N 415.474 4.692 0 40 HJAB Cc1scc(-c2nnc(SCC(=O)NCc3ccco3)n2C)c1-c1ccccc1 13330598 PYILPAIKKJNQPI-UHFFFAOYSA-N 424.551 4.521 0 40 HJAB O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1ccccc1C(F)(F)F 14153138 DSDJXYJGUDLWNQ-UHFFFAOYSA-N 412.820 4.942 0 40 HJAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)cc1C 14291130 WTKJQLOXNDLBJC-UHFFFAOYSA-N 413.949 4.514 0 40 HJAB Cc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 15391060 CHKPUQFVLLABRK-GOSISDBHSA-N 420.962 4.529 0 40 HJAB O=C(C1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1)N1CCCCC1 18056879 SGIUEBLBOGTURW-UHFFFAOYSA-N 400.526 4.526 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2cccnc2)C1 19449600 JNQPRHOUNYYZGN-VWLOTQADSA-N 419.594 4.770 0 40 HJAB C[C@@H]1Cc2cc(CN(C)C(=O)CCCc3nc4cc(Cl)ccc4n3C)ccc2O1 19713994 PTQQUNZOLSWPSY-OAHLLOKOSA-N 411.933 4.531 0 40 HJAB COc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccccc2C)no1 21524694 ZYFKCGRZJMIUFG-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CCCC2)cc1 27994059 WAXCKFHMNRXLIS-OAQYLSRUSA-N 406.526 4.934 0 40 HJAB Cc1noc(CSc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)n1 32901997 GJCRESMXMBFRAL-UHFFFAOYSA-N 422.279 4.824 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nc(N3CCCCC3)nc3ccccc23)c1 33114724 AVYFTJZYDXEXMC-UHFFFAOYSA-N 406.555 4.968 0 40 HJAB COc1cc(OC)cc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)c1 33262433 WSNPMAGDHHMPFF-UHFFFAOYSA-N 406.467 4.503 0 40 HJAB O=C(c1cc(C2CC2)nc2onc(-c3ccccc3)c12)N1CCN(c2ccccc2)CC1 36395216 FFLACENMPTYYGF-UHFFFAOYSA-N 424.504 4.730 0 40 HJAB COc1cccc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)c1 36616728 GOEVKTOWOYPYHB-KRWDZBQOSA-N 414.509 4.596 0 40 HJAB C[C@H](NC(=O)c1ccccc1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 39546203 RJJHXLNMLKKLOQ-FDDCHVKYSA-N 423.557 4.569 0 40 HJAB O=C(NCCSCc1ccc(Cl)cc1)C1CCN(Cc2ccc(F)cc2)CC1 39742653 DJCQFXWLGNWKJU-UHFFFAOYSA-N 420.981 4.741 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078990 SIIABKQMGCYBKG-UHFFFAOYSA-N 410.395 4.949 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH]c3=S)cc2)c1 47536426 VBPYWYJWECGJRT-IBGZPJMESA-N 409.511 4.529 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3nc2N2CCCC2)cc1Cl 58280186 ORDMNJWSEKRKKT-UHFFFAOYSA-N 408.889 4.699 0 40 HJAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2NC(=O)c2cccs2)cc1 58439775 FZUKVSYXYGNALY-OAHLLOKOSA-N 422.506 4.747 0 40 HJAB O=C(COc1ccc(I)cc1)Nc1cc(Cl)ccc1Cl 60385466 WICFGNRAFUYTEQ-UHFFFAOYSA-N 422.049 4.616 0 40 HJAB COc1cccc(-c2noc(-c3cn(-c4cccc(F)c4)c(=O)c4ccccc34)n2)c1 67245423 LDDNPRKAATZDTH-UHFFFAOYSA-N 413.408 4.855 0 40 HJAB Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)COc2ccccc2)n1 72376928 ONTDEVPGDUMTRU-FQEVSTJZSA-N 422.916 4.512 0 40 HJAB CCCN(CC)c1ccc(C(=O)NCc2cccc(C(=O)Nc3ccncc3)c2)cc1 78813469 RJCVOFMSJJDZFK-UHFFFAOYSA-N 416.525 4.500 0 40 HJAB COc1ccc2cc([C@@H](C)Sc3nnnn3-c3cccc(NC(C)=O)c3)ccc2c1 78939464 DLWDONFKCHJYMR-CQSZACIVSA-N 419.510 4.636 0 40 HJAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)c2ccccc2)CC1 96604339 HEHUGJFXIXLHGS-UHFFFAOYSA-N 414.505 4.757 0 40 HJAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc34)o2)CC1)c1ccccc1 100219376 URNXSRHRFCNCCW-MSEWRSJXSA-N 412.493 4.989 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 219680132 FZXBECHYAHEVIB-CQSZACIVSA-N 420.303 4.812 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 222596816 DCELAUHTGUWTTF-ZJSXRUAMSA-N 408.586 4.692 0 40 HJAB CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 223054050 GDIJNRVEKISWJU-RUZDIDTESA-N 414.549 4.743 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccco1 223124247 VDENWQPCEJNEPU-QFIPXVFZSA-N 424.928 4.599 0 40 HJAB Fc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccco1 223355938 HNDBXFJFGSKZDV-VXKWHMMOSA-N 418.497 4.777 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 224107595 FRZUANBLQPSBNM-OAQYLSRUSA-N 416.565 4.962 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 224420466 UUGHYVDPYNRLTA-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 225193124 SOCWDSPMPNGKIC-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB Cc1cc(NC(=S)NCc2ccccc2-n2ccnc2C)ccc1Br 225449777 PIYNRTBKTQDUGN-UHFFFAOYSA-N 415.360 4.738 0 40 HJAB O=C(c1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1)N1CCCCC1 225545430 ADVRWFDPVIEAOA-UHFFFAOYSA-N 415.990 4.885 0 40 HJAB Cc1cc(N)c(NC(=O)c2ccccc2Br)cc1N1CCCC[C@@H]1C 226330071 PWXOIKVDQDIVIL-AWEZNQCLSA-N 402.336 4.971 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 255931845 KTMIWWAGVCSACW-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB Cc1nccn1-c1ccc([C@H]2C[C@@H](NC(=O)c3ccccc3)[C@@H]3CCCC[C@H]3O2)cc1 257219130 DFSMTVBDLWJCGH-ZYQDXHPFSA-N 415.537 5.000 0 40 HJAB CCCOc1ccccc1-c1ccc(C(=O)NCCO)c(CCc2ccccc2)c1 257315202 VAJFLOKXYBPPEF-UHFFFAOYSA-N 403.522 4.650 0 40 HJAB Cc1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Cl 408644575 GVIKGNTYJYIRQM-NSHDSACASA-N 416.688 4.904 0 40 HJAB Cc1ccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2ccccc2)cc1C 408696373 ANVNELDFKUWVIH-UHFFFAOYSA-N 411.461 4.591 0 40 HJAB COc1cc(C(=S)N2CCCCC2)ccc1OCCOc1ccc(Cl)cc1 409205537 PDNQCJNICDSRAQ-UHFFFAOYSA-N 405.947 4.968 0 40 HJAB C[C@@H]1CC[C@H](C(F)(F)F)CN1c1cc(N2C[C@@H](C(F)(F)F)CC[C@H]2C)ncn1 681237724 HHENBTHAADGCFO-MQYQWHSLSA-N 410.406 4.811 0 40 HJAB Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CCc4ccc(F)cc4[C@H](C)C3)C2)c1 1144291194 INVAIAXFVUFAEA-QUCCMNQESA-N 423.532 4.566 0 40 HJAB Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccccc1Br 646323 IAUFZIPQLDNCHB-UHFFFAOYSA-N 413.109 4.846 0 40 HJAB O=C(Nc1cccnc1Cl)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 827042 JYPDCVLXBPHCKF-UHFFFAOYSA-N 423.807 4.777 0 40 HJAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(C)n1-c1cccc(Cl)c1 925060 HMSYEOHQIHBWCY-CQSZACIVSA-N 400.935 4.965 0 40 HJAB COc1ccc2cc(C(=O)Nc3ccccc3C(F)(F)F)sc(=O)c2c1OC 937200 ZOCUZUBGHKWUJQ-UHFFFAOYSA-N 409.385 4.550 0 40 HJAB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2C)cc1OCC 958902 PWZFQXKRPJOTES-YRNVUSSQSA-N 417.889 4.641 0 40 HJAB Nc1c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc2n1-c1cccc(F)c1 2290952 PKSPCUICGLSIGF-UHFFFAOYSA-N 415.403 4.686 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1)N(CCCOC(C)C)C3=O 2329050 RKVJSYPTADMRQT-JOCHJYFZSA-N 405.494 4.770 0 40 HJAB Cc1nn2c(N3CCN(c4ccccc4)CC3)c3c(nc2c1-c1ccccc1)CCC3 2441453 OZWUBENGHXBOEE-UHFFFAOYSA-N 409.537 4.520 0 40 HJAB COc1cc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC 2621154 ZWBAQFXYMXGBEA-UHFFFAOYSA-N 403.784 4.566 0 40 HJAB CC(C)c1ccc(/C=C2/N=C(c3ccc(I)cc3)OC2=O)cc1 3092519 RPMGDRLUXCJEIP-GZTJUZNOSA-N 417.246 4.759 0 40 HJAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3cccc(Cl)c3)N2C1=O 3636731 FDXHNMGPBAILOV-DOTOQJQBSA-N 406.935 4.578 0 40 HJAB CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 4066632 UVIDMRLTCLAOKX-RVJKNRRKSA-N 411.329 4.989 0 40 HJAB O=C(O)CCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 4141008 UIZUUVXQIBFHTF-WDPMDDHKSA-N 424.447 4.953 0 40 HJAB CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccc(Cl)cc1 4274940 INVFDUBQQVGYJW-GFCCVEGCSA-N 411.918 4.708 0 40 HJAB CC(=O)N1c2ccc(Br)cc2[C@H](N(C(C)=O)c2ccccc2)C[C@@H]1C 4599587 SZFKGQPECYJXGT-RNODOKPDSA-N 401.304 4.688 0 40 HJAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 5114212 DOIQXQWMLDMQRA-CQSZACIVSA-N 419.433 4.787 0 40 HJAB O=C(C[S@@](=O)c1ccccc1Cl)Nc1nc(-c2ccc(Cl)cc2)cs1 5368680 HKJREQSXCJMMBB-VWLOTQADSA-N 411.335 4.863 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 5477746 XPDVCSRKLMYMHG-UHFFFAOYSA-N 418.522 4.880 0 40 HJAB CCOC(=O)c1c(NC(=O)CSc2ccc(OC)cc2)sc2c1CCCC2 5598540 VIBRMMOPRWDIRL-UHFFFAOYSA-N 405.541 4.543 0 40 HJAB CCOc1ccc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)cc1 6538661 NNILNYYEALZKKQ-UHFFFAOYSA-N 403.554 4.793 0 40 HJAB C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 6881929 OOVDUAQJXORCHU-NSHDSACASA-N 414.720 4.544 0 40 HJAB CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC)c1 7261985 PMAQOBKECVSWTC-QFIPXVFZSA-N 421.493 4.554 0 40 HJAB Cc1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(=O)n(-c2ccccc2)n1C 7598520 RZFGXGVZKRADFX-UHFFFAOYSA-N 421.541 4.580 0 40 HJAB O=C(Nc1ccccc1-c1nc2ccccc2s1)[C@H]1CC(=O)N(C2CCCC2)C1 7779100 ZHXCTASDSLIJKA-HNNXBMFYSA-N 405.523 4.693 0 40 HJAB Nc1c(Br)cc(Cl)c(-c2nc3ncccc3o2)c1Br 8702056 RQEZLRDYYURKRZ-UHFFFAOYSA-N 403.461 4.650 0 40 HJAB O=C(Cc1ccc(Cl)cc1)NCCSc1ncc(C(F)(F)F)cc1Cl 9049516 CUKGTYBHLHNPTK-UHFFFAOYSA-N 409.260 4.858 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1 9376568 XRQRWQFEKJQKSQ-UHFFFAOYSA-N 416.477 4.832 0 40 HJAB Cc1ccc(-c2onc3ccc(C(=O)Nc4ccc(N5CCOCC5)cc4)cc23)cc1 9529655 HKVSPNGNRMCEAP-UHFFFAOYSA-N 413.477 4.892 0 40 HJAB COc1cccc(-c2nnc(SCc3csc(-c4cccs4)n3)n2C)c1 9579273 PYVYLUTVWFPEQI-UHFFFAOYSA-N 400.554 4.968 0 40 HJAB O=C(/C=C/c1cccs1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCO3 9829728 QEFDBUXBOWPWNN-AATRIKPKSA-N 421.503 4.728 0 40 HJAB COc1cccc2c(C)cc3nnc(SCC(=O)c4cc5ccccc5o4)n3c12 11903247 JGTMDQQAYIZTPX-UHFFFAOYSA-N 403.463 4.921 0 40 HJAB CCc1cccc(N2C(=O)N(Cc3ccc(F)cc3)c3ccccc3S2(=O)=O)c1 12414807 ZJGVVJQCYKKXED-UHFFFAOYSA-N 410.470 4.724 0 40 HJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nccn1Cc1ccccc1 12550846 XRHUHDGMMJOUIX-INIZCTEOSA-N 422.579 4.853 0 40 HJAB Cc1cc(C(=O)N2CC=C(c3ccccc3)CC2)c2cnn(Cc3cccs3)c2n1 13002470 JHJGXUKJLHQQIH-UHFFFAOYSA-N 414.534 4.779 0 40 HJAB C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 13038659 SIHZNBQLTNQMRU-AWEZNQCLSA-N 411.855 4.508 0 40 HJAB COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccco2)cc1OC 14608042 HGFLWAZFJWTZPF-OAQYLSRUSA-N 403.438 4.647 0 40 HJAB Nc1c(Cl)c(Cl)nc(C(=O)OCc2ccc(Br)cc2)c1Cl 14704462 UKKCHFCRVYSVEQ-UHFFFAOYSA-N 410.482 4.744 0 40 HJAB COC(=O)c1ccc(C)c(-n2c(N)c(C(=O)Nc3ccccc3C)sc2=S)c1 17135995 GRHFDXSGGDQRQR-UHFFFAOYSA-N 413.524 4.506 0 40 HJAB Cc1cc2ccncc2n1CC1(O)C[C@@H]2CC[C@H](C1)N2Cc1ccc(OC(C)C)cc1 19127148 OBKXOWDLIRLHFO-XZQOPNAISA-N 419.569 4.690 0 40 HJAB Cc1nc([C@@H]2CCCCN2C(=O)C2CCC2)ncc1C(=O)Nc1ccc(Cl)cc1 19753591 IAPKNWLIMKXRMM-IBGZPJMESA-N 412.921 4.544 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(-c2nn3cnnc3s2)c1 20528466 ZYZVQCOWUDPCAM-FNORWQNLSA-N 416.293 4.812 0 40 HJAB O=C(Nc1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1)c1ccco1 22411574 CAXTVELMZQYJDU-UHFFFAOYSA-N 411.266 4.640 0 40 HJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 22519544 VZMZGCXWYJDBOY-HSZRJFAPSA-N 408.929 4.999 0 40 HJAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(-n4cnnn4)c3)o2)cc1 23180538 PMKTXPFRKCWAFN-UHFFFAOYSA-N 422.448 4.545 0 40 HJAB CCOc1ccc(CN(C)C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 24984095 AHUNMABEEDTPHX-QHCPKHFHSA-N 412.530 4.785 0 40 HJAB O=C(c1cccs1)N1CCC(C(=O)N(Cc2ccccc2)c2ccccc2)CC1 25731375 LRIAZEZHUBNQHP-UHFFFAOYSA-N 404.535 4.834 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3noc(-c4ccc(F)cc4)n3)c2)cc1 28221591 NYOZDOOXNWBRPD-UHFFFAOYSA-N 409.442 4.652 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCN1CCc2ccccc21 29521721 KGPBQJUJKFIAJN-UHFFFAOYSA-N 413.880 4.625 0 40 HJAB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1cc(=O)[nH]c2ccccc12 32960812 OVFVJNJTWXCIGC-LJQANCHMSA-N 413.502 4.633 0 40 HJAB CCn1cc(-c2nc(-c3ccccc3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21 33255943 MDDORLVUWCYNEY-UHFFFAOYSA-N 418.472 4.868 0 40 HJAB COc1ccc(Nc2nn3c(C)cc(C)nc3c2NC(=O)c2ccc(C)cc2)cc1 35671229 BRRWCKRBEYZMCL-UHFFFAOYSA-N 401.470 4.659 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 37245757 LOJPGRHPJBGMMF-CDDSOZGUSA-N 404.591 4.775 0 40 HJAB C[C@@H]1Cc2cc(-c3cc(CC(=O)Nc4ccccc4C(F)(F)F)no3)ccc2O1 38498499 XLLUXWYSTXPLHA-GFCCVEGCSA-N 402.372 4.865 0 40 HJAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 40040487 NOASXOWAFIQLPP-OAQYLSRUSA-N 402.498 4.972 0 40 HJAB Cc1cc2nc(CSc3ccc(NC(=O)Nc4ccccc4)cc3)cc(=O)n2o1 41089705 MBAXUTHZXORRCW-UHFFFAOYSA-N 406.467 4.532 0 40 HJAB O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(Cn2ccnc2)cc1 44786603 XMYLXMCTOWJIKD-UHFFFAOYSA-N 420.365 4.901 0 40 HJAB COc1cccc(Oc2ccc(CNC(=O)c3cc4ccc(F)cc4nc3C)cn2)c1 48312271 ADKCDLOKIFLVFQ-UHFFFAOYSA-N 417.440 4.808 0 40 HJAB O=c1[nH]c(N2CCN(c3ccccc3)CC2)nc2c(-c3cccc(Cl)c3)csc12 48988965 ZGVDMGHRQLXUFD-UHFFFAOYSA-N 422.941 4.632 0 40 HJAB COc1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc23)cc1OC 67262187 WECZKHOOCQINMB-UHFFFAOYSA-N 411.465 4.574 0 40 HJAB Nc1nc(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)n1 71977750 OARZQOWZGNPJHN-UHFFFAOYSA-N 405.093 4.918 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(OCc3ccccc3)nc2)cc1 72212057 NTBHAWHKAHUURV-HSZRJFAPSA-N 422.550 4.885 0 40 HJAB Fc1ccc([C@@H](CNc2cc(C(F)(F)F)nc3ccccc23)N2CCOCC2)cc1 89866635 JXKAXIYAJQERSL-HXUWFJFHSA-N 419.422 4.878 0 40 HJAB Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102702856 XDFUWSLMORUIPV-KMDXXIMOSA-N 412.489 4.663 0 40 HJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 219354791 HMGOOZMJJSGUTI-GOSISDBHSA-N 407.495 4.767 0 40 HJAB CCC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224354885 HYKQCHWIACGBTO-FQEVSTJZSA-N 400.950 4.605 0 40 HJAB O=C(NCCc1ccc(F)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 224538327 MJRGBPHGERWMDV-UHFFFAOYSA-N 409.332 4.703 0 40 HJAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc4c(c3)OCO4)o2)c1 224901447 WNWZBQHQHSXYOC-UHFFFAOYSA-N 414.417 4.998 0 40 HJAB COC(=O)c1cccc(NC(=S)NCCCSCc2cccc(C)c2)c1C 225603920 ZHAZKGVUUBBXFL-UHFFFAOYSA-N 402.585 4.700 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(OC2CCOCC2)nc1 225711607 PWTZKRBXADBYIZ-UHFFFAOYSA-N 400.784 4.564 0 40 HJAB CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2ccccn2)CC1 257208499 BMKOXVMFPPLECY-UHFFFAOYSA-N 419.594 4.771 0 40 HJAB C[C@@]1(NC(=O)CCO)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cccc(Cl)c2)C1 257318426 VNWDXOMLHAXLLV-KXTWHKPSSA-N 408.325 4.844 0 40 HJAB O=C(c1ccn(Cc2ccccc2)c1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 541958522 ZWBPDOMICZEAMK-UHFFFAOYSA-N 413.565 4.665 0 40 HJAB O=C(N[C@H]1CCCN(C(=O)c2cc3cccc(F)c3o2)C1)c1ccc2ccccc2c1 674821964 YPOZEXVOHULTBQ-FQEVSTJZSA-N 416.452 4.760 0 40 HJAB CNc1ccc(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)c(Cl)c1 1627522513 GPHBSKGBBKHKIL-UHFFFAOYSA-N 408.889 4.956 0 40 HJAB CCOc1cc(OCC)cc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1 882222 LPZDKEZTZRNJTF-UHFFFAOYSA-N 403.438 4.940 0 40 HJAB CCCCCNC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 2312312 CROZAAOQXXDSGI-UHFFFAOYSA-N 407.905 4.729 0 40 HJAB Clc1ccc(-n2ncc3c2ncn2nc(CCc4ccccc4)nc32)cc1Cl 2435542 URURVBRUBXBKGU-UHFFFAOYSA-N 409.280 4.555 0 40 HJAB COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1F 2618504 OFJOGVAGWFCRAS-UHFFFAOYSA-N 410.445 4.965 0 40 HJAB O=C(N[C@@H](CC(=O)N1CCc2ccccc21)c1ccccc1)c1ccccc1Cl 2652104 LFMWBZPXQUWUQT-NRFANRHFSA-N 404.897 4.791 0 40 HJAB CC(C)Oc1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)cc1 3283947 KWBDZXAGOFJFIG-HNNXBMFYSA-N 410.495 4.781 0 40 HJAB CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O 3950327 OKJHGOPITGTTIM-DEOSSOPVSA-N 422.477 4.969 0 40 HJAB investigational Cc1cccc(N2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)[C@@H](c4ccccc4)N3C2=O)c1 4062736 PJRTZJSMXWTWDQ-LADGPHEKSA-N 407.473 4.959 0 40 HJAB biogenic Cc1ccc(NC(=O)CSc2nnc(COc3cccc4ccccc34)o2)cc1 4129543 JUUJYXIVLYREMM-UHFFFAOYSA-N 405.479 4.841 0 40 HJAB Cc1cc(C)c(S(=O)(=O)NCCc2sc(-c3ccccc3)nc2C)c(C)c1 4392334 KMQWUYCFBCTIQE-UHFFFAOYSA-N 400.569 4.565 0 40 HJAB COc1ccc(CN(CC[C@@]2(c3ccccc3)C[C@@H](C)N(C)C[C@H]2C)C(C)=O)cc1 4785549 UCRIIXJATPHSML-IPVFLDMMSA-N 408.586 4.732 0 40 HJAB COc1ccc(CN(CC[C@@]2(c3ccccc3)C[C@H](C)N(C)C[C@H]2C)C(C)=O)cc1 4785550 UCRIIXJATPHSML-YZIHRLCOSA-N 408.586 4.732 0 40 HJAB C[C@@H]1CCC[C@H](NC(=O)COc2ccc3c(=O)c(-c4ccc(F)cc4)coc3c2)[C@@H]1C 4979833 IZTVWXJSZQAIMY-MCFFVMPBSA-N 423.484 4.919 0 40 HJAB CCOC(=O)N1N=C(c2ccccc2)O[C@@]2(N3CCCC3)CC[C@H](C(C)(C)C)C[C@H]12 5496892 VGGJUABZLUJXJR-SKPFHBQLSA-N 413.562 4.844 0 40 HJAB CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2)c2c[nH]c3ccccc23)cc1 5688271 KSDBBBVPDOIYBB-JOCHJYFZSA-N 401.485 4.935 0 40 HJAB COc1ccc(-c2nnc(SC[C@@H](O)c3ccccc3)n2-c2ccccc2)cc1 5691679 AEDQQBAZOUWVRU-OAQYLSRUSA-N 403.507 4.769 0 40 HJAB COc1ccc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(OC)c1 6083040 AEDIQMYZGMLTQO-XMMPIXPASA-N 415.445 4.966 0 40 HJAB C[C@H](NC(=O)[C@@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc(F)cc1 6549778 PQPLQQUUAPCSMH-LSDHHAIUSA-N 410.518 4.642 0 40 HJAB Cc1cc(I)cnc1NC(=O)c1ccc(-c2ccccc2)cc1 6572485 SYIZGIPQOAUFRP-UHFFFAOYSA-N 414.246 4.914 0 40 HJAB Cc1cc(OCC(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)ccc1Cl 6886939 FRACGYUHZMFEIZ-UHFFFAOYSA-N 402.661 4.516 0 40 HJAB COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3N=C3C=CC(Cl)=NN32)cc1 7002293 IKVMCIBVEMTSMF-NRFANRHFSA-N 403.873 4.746 0 40 HJAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3ccco3)n2C)c1 7090481 SFDUZGKIEQVTES-UHFFFAOYSA-N 418.522 4.709 0 40 HJAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccc(N2CCCC2)cc1 7255730 LIEWLZXBIAMZEF-QHCPKHFHSA-N 423.607 4.996 0 40 HJAB CCOc1cc(/C=C/c2nc3cc(Cl)ccc3o2)ccc1O[C@H](C)C(=O)N(C)C 8321255 RDQYYAQQRDYTSP-DPQIITEBSA-N 414.889 4.906 0 40 HJAB O=C(CCc1nc(-c2cccs2)no1)N1CCC[C@H](c2nc3ccccc3s2)C1 8774331 MVZFZRAYSPAVET-AWEZNQCLSA-N 424.551 4.747 0 40 HJAB CCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(F)cc1 8836440 GTICSUWJLKVVQR-UHFFFAOYSA-N 422.485 4.876 0 40 HJAB O=C(c1ccc(Br)cc1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 8868396 UJSNRWNCRKUVLD-GOSISDBHSA-N 408.723 4.924 0 40 HJAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Sc3ccc(C)cc3)s2)c(OC)c1 9347047 OTJRPKQUIUBCRM-CYBMUJFWSA-N 415.540 4.650 0 40 HJAB Cc1nnc(S[C@H](C)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n1C1CC1 9954671 GGNRRBBBYGBHJF-CQSZACIVSA-N 424.574 4.524 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3ncoc3-c3cccs3)n2)cc1OC 12115131 QGSDAUUGUYFRDH-UHFFFAOYSA-N 413.480 4.796 0 40 HJAB O=C1CCC(C(=O)NC2CCN(C[C@H](c3ccccc3)C3CCCCC3)CC2)CC1 12188828 HLGSVAFITHPFIK-RUZDIDTESA-N 410.602 4.690 0 40 HJAB O=C1c2ccccc2CC[C@@H]1[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 12377422 ZHTXYUBDBDHKCN-CPJSRVTESA-N 417.892 4.520 0 40 HJAB Cc1nc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)n(C[C@H]2CCCO2)c1C 12535295 FEOZNIAGEVJOLK-HXUWFJFHSA-N 415.603 4.598 0 40 HJAB Cc1ccc(-c2nc(SCC(=O)NC[C@H]3CCCO3)[nH]c2-c2ccc(C)cc2)cc1 12588044 IEUTZJFVNJOFHD-HXUWFJFHSA-N 421.566 4.748 0 40 HJAB CCOc1ccccc1-n1c(SCc2c(C)noc2C)nnc1-c1cccnc1 12597971 BDVDRUZIYOURQD-UHFFFAOYSA-N 407.499 4.625 0 40 HJAB Cc1ccc(-c2csc(=O)n2CC(=O)Nc2ncc(Cc3ccccc3)s2)cc1 12779770 DEXMPGYUJYLNMH-UHFFFAOYSA-N 421.547 4.571 0 40 HJAB CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)C1(C)C 12987797 ABQBIWXPMGCECP-REWPJTCUSA-N 415.537 4.690 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(C(=O)c2cccs2)CC1 13464650 ZWSFDCOYDZUPLA-UHFFFAOYSA-N 416.852 4.911 0 40 HJAB O=C(Cc1ccccc1)Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 13549725 KSIAREHZNRZRLF-UHFFFAOYSA-N 409.492 4.898 0 40 HJAB CC[C@H](C)C(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(C(C)C)c1ccccc12 13635249 PHJQBPWBBDAMKC-QLXKLKPCSA-N 415.537 4.597 0 40 HJAB CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714141 BECYCHFQPWOUQH-LJQANCHMSA-N 408.951 4.647 0 40 HJAB CCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2)cc1 15883258 GECWELXXWSNXIR-UHFFFAOYSA-N 400.400 4.730 0 40 HJAB Cc1nc2ccccc2n1CCCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 19719280 YDBNHXJHTLKZNI-OAQYLSRUSA-N 419.525 4.650 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 20241752 GEHHLWSYMVCZMP-UHFFFAOYSA-N 415.537 4.660 0 40 HJAB Cc1ccc(OCCN(C)C(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)cc1 24895170 SONOLPFGNSOHKH-UHFFFAOYSA-N 419.481 4.867 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 25894609 UDPVOLUEQNYKOJ-UHFFFAOYSA-N 410.477 4.809 0 40 HJAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 30862840 QYEUEJUYQPMBBI-UHFFFAOYSA-N 408.523 4.594 0 40 HJAB COc1ccc(-c2ccc(SCc3nc(-c4ccc(C)cc4)no3)nn2)cc1OC 33262516 GXIWHYITQLDCBA-UHFFFAOYSA-N 420.494 4.812 0 40 HJAB Cc1nc(COc2ccccc2C(=O)Oc2ccc(Cl)cc2Br)no1 36646732 WTRWXNFGHJHXFP-UHFFFAOYSA-N 423.650 4.592 0 40 HJAB COc1cc(NC(=O)c2csc(-c3cc4ccccc4n3C)n2)cc(OC)c1OC 36708175 VUBFALQIZQOYRU-UHFFFAOYSA-N 423.494 4.580 0 40 HJAB O=C(Nc1ccc(Cl)cc1)C1CCN(Cc2ccc(Br)cc2)CC1 38833890 RSRRHJMZRYEQES-UHFFFAOYSA-N 407.739 4.953 0 40 HJAB C[C@@H](Sc1ccc(Br)cn1)C(=O)Nc1cccc(Br)c1 48303413 DKNKUOGWXZBNHM-SECBINFHSA-N 416.138 4.726 0 40 HJAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1F 57486723 FSCAQLFDKFWMKK-UHFFFAOYSA-N 410.836 4.945 0 40 HJAB Cc1ccc2nc([C@H]3CCCN3C(=O)Cc3csc(-c4ccsc4)n3)[nH]c2c1 58342306 VTVLTMJOSAHKAM-GOSISDBHSA-N 408.552 4.963 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(C(=O)O)cc2Cl)cc1Cl 59843147 MSLNLAABCQUVBT-UHFFFAOYSA-N 417.701 4.780 0 40 HJAB O=C(O)CC(=O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 67665313 MNQDQKPGBOCXNP-IENJSVCTSA-N 419.452 4.726 0 40 HJAB in-vitro CC(C)Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccccc23)cc1 85568796 NVUHAMMRRJHXMD-UHFFFAOYSA-N 422.550 4.502 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2C)cc1 107726656 SHLQQHAGDBFJNB-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3occc3c2)C1 140566327 SCLNAVQRTFKIFE-RUZDIDTESA-N 424.544 4.769 0 40 HJAB in-vitro O=C(NC(=S)Nc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 201717515 VGMXMPJGTKTAJT-UHFFFAOYSA-N 404.116 4.883 0 40 HJAB O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215181699 VBPXMZCRKBTMBH-FZSIALSZSA-N 408.262 4.959 0 40 HJAB O=C(N1CCS[C@H](c2ccc3c(c2)OCO3)CC1)C1(c2cccs2)CCCC1 219212474 OGHKARDNEJYYLZ-IBGZPJMESA-N 415.580 4.995 0 40 HJAB CC[C@@H](NC(=O)COc1ccc(I)cc1)c1ccc(C)c(C)c1 219836122 OTTXJZRSQHMZLG-GOSISDBHSA-N 423.294 4.554 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 222504042 WQITVMMMVIKMRB-OAQYLSRUSA-N 400.950 4.523 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 223595664 QCORXKFAUBFIHK-KRWDZBQOSA-N 418.990 4.684 0 40 HJAB Cc1c(Cl)cnc(NC(=S)NCc2ccc(Cl)cc2)c1Br 223928986 MGXBICCXSVRBBP-UHFFFAOYSA-N 405.148 4.946 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1 223932965 FIYHKXGEBPFJGP-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1cc(C(=O)Nc2c(C)cccc2C)ccc1N(C)S(=O)(=O)c1ccccc1 224188775 XXYWUWXGAXMDBO-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB COCc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 224539353 OLJKKPSVAOZQRC-UHFFFAOYSA-N 407.341 4.991 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 224655079 YBJVJNLDBBXZDG-XMMPIXPASA-N 408.586 4.734 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 224972314 YGTYBFZXAPUKPI-QFIPXVFZSA-N 414.977 4.505 0 40 HJAB COCc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)c1 225189603 NPIUCEQNVWVGOF-STZFKDTASA-N 406.507 4.613 0 40 HJAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(Cl)c(C(=O)OC)c1 225625634 BJLWOTSJAXNDIG-UHFFFAOYSA-N 420.962 4.835 0 40 HJAB NC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CCC2CCCC2)CC1 257210528 BVABKWFUCGBFRF-UHFFFAOYSA-N 418.581 4.961 0 40 HJAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 408614010 XHLZFPDYMIFDRI-UHFFFAOYSA-N 403.887 4.728 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(F)cc2)cc1 408696306 ZNDYMWDUNHAGQD-UHFFFAOYSA-N 416.456 4.951 0 40 HJAB O=C(NC1CCCCCCC1)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 409003327 RWKFFXWFXYZAND-XMMPIXPASA-N 420.553 4.979 0 40 HJAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(C)[nH]c4ccccc34)C2=O)cc1 409172374 GBIXFJPDLIRHIB-UDWIEESQSA-N 419.506 4.714 0 40 HJAB Cc1cc(Br)cc(C)c1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 409206526 KPJDUTBBSIYGMB-UHFFFAOYSA-N 420.347 4.764 0 40 HJAB Cc1ccnc(SCC(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C[C@@H]4C)n1 575473166 KHIOMYOTBCEAQN-ZDUSSCGKSA-N 423.538 4.588 0 40 HJAB C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 825712 WJJLJYVRHMKFPI-BVZFJXPGSA-N 416.546 4.952 0 40 HJAB COc1cc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc(OC)c1OC 1774302 LFLYZPFJXSAVKZ-UHFFFAOYSA-N 418.902 4.665 0 40 HJAB COc1ccc(C(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(C)cc2)cc1 2353101 IJAVUHBZOKLGCK-UHFFFAOYSA-N 416.506 4.621 0 40 HJAB O=c1c2c3c(sc2n(CCc2ccccc2)c(=O)n1-c1cccc(Cl)c1)CCC3 2409107 XTCBHKXIYIJQEC-UHFFFAOYSA-N 422.937 4.599 0 40 HJAB Cc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccccc2)cc1 2692654 CGEBEDSQNXKVDX-UHFFFAOYSA-N 401.487 4.915 0 40 HJAB CSc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 2704100 CBKIBTCKQFVDLH-NRFANRHFSA-N 414.486 4.968 0 40 HJAB CCc1nnc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)s1 2745970 LNPUGEUQXBUPIH-UHFFFAOYSA-N 420.494 4.585 0 40 HJAB CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)CCC)c2)c1 4089798 VIIOVSVDKHSSSO-UHFFFAOYSA-N 413.543 4.731 0 40 HJAB C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 4481606 JMOWYUSPIOYHOR-STPJHCLOSA-N 408.885 4.837 0 40 HJAB O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cccnc1 5043479 GHUZQHKXTFHDBQ-UHFFFAOYSA-N 408.405 4.661 0 40 HJAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc3ccccc23)no1 5244826 JHAWVUDXBZUHPY-JOCHJYFZSA-N 408.413 4.992 0 40 HJAB O=C(CSc1nc2ccccc2s1)Nc1ccccc1C(=O)NC1CCCC1 5629055 NFWWGDKBCPQGKY-UHFFFAOYSA-N 411.552 4.700 0 40 HJAB CCCCn1c(O)c(C(=O)Nc2cccc(Br)c2)c(=O)c2ccccc21 5737744 XIYYLADXUUTEOJ-UHFFFAOYSA-N 415.287 4.522 0 40 HJAB C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccccc1Cl)c1ccccc1 6128415 CXLZGHQEWOWUSK-MRXNPFEDSA-N 408.885 4.849 0 40 HJAB CC[C@H](C)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 6602201 RFVNMFOWKOEEMM-KRWDZBQOSA-N 410.539 4.613 0 40 HJAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3ccccc3)[C@@H]2c2cccs2)cc1 6648787 GKZNDLUYJYDUBS-NFBKMPQASA-N 404.535 4.857 0 40 HJAB COc1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1 7525746 RLAIZVANUQLCDU-UHFFFAOYSA-N 400.478 4.617 0 40 HJAB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(OCC(C)C)cc4)c3)nn12 8071431 JUCNGEHGPKHJCA-UHFFFAOYSA-N 421.526 4.702 0 40 HJAB COC(=O)c1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1C 8330653 QASGEQQIYOCEKA-UHFFFAOYSA-N 414.505 4.592 0 40 HJAB Cc1cccc(NC(=O)Nc2nc(C)c(C(=O)NCCCc3ccccc3)s2)c1 8770996 ZAECJOUNPOQTCJ-UHFFFAOYSA-N 408.527 4.767 0 40 HJAB CC(=O)Nc1ccc(C(=O)COC(=O)Cc2coc3ccc4ccccc4c23)c(F)c1 8777766 SZUPWPMUDFBVIM-UHFFFAOYSA-N 419.408 4.652 0 40 HJAB COc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2=O)cc1 8816096 CCXNJEPBQAOKQV-SNVBAGLBSA-N 413.688 4.647 0 40 HJAB Cc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)s2)cc1C 9199758 MOBDRDUTJIKHCH-GOSISDBHSA-N 420.538 4.545 0 40 HJAB COc1ccccc1N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccs1 9462769 TWYONDOZMPPEAG-UHFFFAOYSA-N 404.491 4.754 0 40 HJAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3c(C)[nH]c4ccccc34)o2)c(OC)c1 9778958 DUGYFGYGHQDENW-ZDUSSCGKSA-N 423.494 4.907 0 40 HJAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)c3sc(C)nc3C)cc2)n1 12222914 QRRDJWOBMHCNDB-UHFFFAOYSA-N 415.522 4.517 0 40 HJAB Cc1nc([C@H](Cc2ccsc2)NC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)sc1C 12228030 UAUVVJVLCOXNEP-VVLBCNRYSA-N 416.612 4.553 0 40 HJAB COc1ccc([C@@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)c2nccn2C)cc1 12507239 GTDISZYBFOSDHH-QGZVFWFLSA-N 405.285 4.647 0 40 HJAB Cc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 12526045 XVXIPYTWQHSMLW-UHFFFAOYSA-N 414.499 4.705 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CCc1nc2ccccc2s1 12592059 PDSZEIMSWWMNRV-NUJGCVRESA-N 403.544 4.776 0 40 HJAB CCCc1cc(=O)[nH]c(S[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)n1 12761255 QNKJDLISAHXEEH-NRFANRHFSA-N 423.538 4.593 0 40 HJAB O=c1c2c(-c3ccccc3)csc2ncn1Cc1nc(-c2ccccc2Cl)no1 12795096 DWZJIQWJNFCOPB-UHFFFAOYSA-N 420.881 4.877 0 40 HJAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12875378 MWCSZCYOAHNCCF-LSDHHAIUSA-N 420.340 4.671 0 40 HJAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(C(F)(F)F)c1 12935161 VMSUCBISCJPMNL-SFHVURJKSA-N 420.431 4.642 0 40 HJAB O=C(COc1ccc(Br)cc1F)N[C@H](c1ccccc1)c1cccs1 12981741 AUZOKTVDNUYNMV-LJQANCHMSA-N 420.303 4.934 0 40 HJAB c1csc(Cc2nnc(SCc3nnc(-c4cccs4)o3)n2C2CC2)c1 12983341 KBRQSSODEMRWRQ-UHFFFAOYSA-N 401.542 4.669 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(C)ccc3F)C2)c2ccccc12 12994476 QWQACYSLQNLBKT-QGZVFWFLSA-N 420.484 4.787 0 40 HJAB CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)cc1 14609733 NUNZFKFSSZHYQF-UHFFFAOYSA-N 402.429 4.724 0 40 HJAB O=c1cc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)nc2ccccn12 14756722 FNCGLYQLXAIZMQ-UHFFFAOYSA-N 423.501 4.506 0 40 HJAB O=C(C1CC1)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 19294040 HKMVZGHFWOBFQP-OAQYLSRUSA-N 417.488 4.885 0 40 HJAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)Cc3ccccc3OC)c2)cc1 19691364 VPYSZRBYAADRBG-XMMPIXPASA-N 416.521 4.980 0 40 HJAB COc1ccc(CNCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc23)c(OC)c1 19848679 UDGFCQDJYZHSJC-UHFFFAOYSA-N 408.420 4.724 0 40 HJAB COc1ccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1OCc1ccccc1 19900064 ZZVRTZNHXPQCIY-VJTSUQJLSA-N 418.581 4.604 0 40 HJAB O=c1c2cnc(N3CCc4ccccc4C3)nc2ccn1-c1ccc(Cl)c(Cl)c1 19959013 QVQUEAYOHXUZFA-UHFFFAOYSA-N 423.303 4.650 0 40 HJAB O=C(Oc1ccccc1)N(CCCN1CCOCC1)Cc1cccc2ccccc12 20478982 OWYQXRRWUGRKTK-UHFFFAOYSA-N 404.510 4.563 0 40 HJAB COC(=O)Nc1s/c(=N\c2ccccc2)n(C[C@H]2CCCO2)c1-c1ccccc1 26688377 VDSGDPOQITZNNN-GLEDVZQVSA-N 409.511 4.806 0 40 HJAB COc1ccc(-[n+]2cc(-c3ccc(Br)cc3)n3c2SC[C@@H]3C)cc1 27788659 CFYDGJHHXBNPOP-ZDUSSCGKSA-N 402.337 4.870 0 40 HJAB CCCn1nc(C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)c2ccccc2c1=O 40072269 HZOXWDREFSMVDL-UHFFFAOYSA-N 413.905 4.747 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 44881000 JETDLOSDVCUCFG-LJQANCHMSA-N 422.550 4.904 0 40 HJAB Cc1cc(C)cc(-n2ccc(=O)c(-c3nc(-c4cccc(C(F)(F)F)c4)no3)n2)c1 49006355 OLBTVTNCSAPQAK-UHFFFAOYSA-N 412.371 4.585 0 40 HJAB CCN(C(=O)NCc1cccc(OC[C@@H]2CCCO2)c1)[C@H](C)c1ccc(F)cc1 58168881 OFKCGBQORNBDEV-VGSWGCGISA-N 400.494 4.676 0 40 HJAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1cccc(Oc2ccccc2)c1 71283792 WWDXSMGZXJABJX-IBGZPJMESA-N 405.454 4.671 0 40 HJAB CCCOc1ccccc1[C@H](CC(C)C)Nc1nn2c(=O)cc(CC)nc2s1 72307328 OLXMUUXDVKQBCK-KRWDZBQOSA-N 400.548 4.702 0 40 HJAB COc1ccc(Cc2cccc(C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1 72348682 BZFNCGWKTKCCMJ-UHFFFAOYSA-N 404.485 4.840 0 40 HJAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3[C@@H]2CCOC(C)(C)C2)cc1OC 95474590 LHBKRXUQNARFBE-RDTXWAMCSA-N 417.531 4.622 0 40 HJAB COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)C1 95983488 DLBNVIOZQVMSOH-AWEZNQCLSA-N 406.935 4.515 0 40 HJAB COc1cccc(-c2ccc3nc(C4CCN(Cc5ccsc5)CC4)nn3c2)c1 96038220 NDSSZEDEAMYISO-UHFFFAOYSA-N 404.539 4.846 0 40 HJAB O=C(C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21)NCC1CC1 96053099 SHIPHFVJJGWJPX-OAQYLSRUSA-N 422.544 4.643 0 40 HJAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCCc5cccnc5)cc34)co2)cc1 96154305 UHCYRGXSGSACAP-UHFFFAOYSA-N 424.460 4.826 0 40 HJAB CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)c3ccc(C)o3)CC2)c2ccccc21 96242342 PWQWIDHQGGGQQO-IBGZPJMESA-N 408.542 4.508 0 40 HJAB COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1ccc(Br)c(C)c1 102202472 CSMRVMUJXADURM-BEFAXECRSA-N 419.344 4.701 0 40 HJAB CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220571268 FWUXKDACAYOCOK-NRFANRHFSA-N 416.587 4.919 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3C)cc2C)cc1 224001037 CRWHVURSAQIBCG-IBGZPJMESA-N 422.550 4.904 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 224241038 IOUMBAWMQINOLS-XMMPIXPASA-N 406.570 4.712 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 224392110 ZIGMMJVSQLXUIQ-XMMPIXPASA-N 424.560 4.933 0 40 HJAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1cccc2ccccc12 224629326 PAECJDWZNCAZRS-OAQYLSRUSA-N 405.494 4.726 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C 224774966 MQJABNYQGMGEEV-FQEVSTJZSA-N 424.585 4.615 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 225067671 FUNFPSKWTXCIRT-DEOSSOPVSA-N 406.570 4.794 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 225103512 QFEXPOOTQIBJPH-JOCHJYFZSA-N 412.599 4.562 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 225525596 JCYDHWHXUUNHSQ-PGRDOPGGSA-N 414.977 4.913 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 225589188 KDIMIEQNOWZDEN-GCJKJVERSA-N 414.977 4.995 0 40 HJAB CC1CCN(c2cc(C(F)(F)F)nc(NC(=S)N[C@H](C)c3ccccc3)n2)CC1 225963454 BWMMVRKNRAFVPG-CQSZACIVSA-N 423.508 4.779 0 40 HJAB COc1ccc(-c2cc(-c3ccc(Cl)cc3)n(CC(C)C)n2)c(OCC(=O)O)c1 257335267 YJKQWXHAGCONAK-UHFFFAOYSA-N 414.889 4.999 0 40 HJAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408662309 RHCBLHKJGYRMED-LMHXZZLNSA-N 420.295 4.784 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)cc1 408693718 CLADWLNKLDFYEY-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB COc1cc(Cl)c(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC 409005104 DJWFIEYUJPRAOP-WQRHYEAKSA-N 403.887 4.636 0 40 HJAB c1cc(CN2CCCC[C@@H]2c2cn[nH]c2)ccc1CN1CCCC[C@H]1c1cn[nH]c1 512294547 JDXRLAQCZAJNCM-PSWAGMNNSA-N 404.562 4.587 0 40 HJAB Brc1cccc(C2(CNc3ncnc4ccsc34)CCOCC2)c1 613575182 VJHOTEFNCAHCGG-UHFFFAOYSA-N 404.333 4.614 0 40 HJAB Brc1ccc(-c2nn3c(CSCCc4ccccc4)nnc3s2)o1 1501039993 UTTKBQFJCJHWME-UHFFFAOYSA-N 421.345 4.684 0 40 HJAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1cc2cc(Cl)ccc2s1 1664379368 WUHSYJVWHDAPQJ-SFHVURJKSA-N 417.939 4.720 0 40 HJAB O=C(NCc1cc(-c2ccsc2)cs1)C(=O)Nc1ccccc1C(F)(F)F 1775969961 UMRHFUUCSXHUPT-UHFFFAOYSA-N 410.442 4.750 0 40 HJAB O=C(Nc1cccnc1)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O 693000 IQCAEFGTJBLPDU-UHFFFAOYSA-N 419.440 4.802 0 40 HJAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(OC)c(OC)c1 849025 QLPNMFXLSATHRV-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCCCCC4)c3N2)c1 884178 DIJVYYCCNRBEMD-QZTJIDSGSA-N 422.451 4.568 0 40 HJAB CCOc1ccc2cc3c(N)c(C(=O)c4cc(OC)ccc4OC)sc3nc2c1 891646 HAOLTIZDLIBDOO-UHFFFAOYSA-N 408.479 4.679 0 40 HJAB COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OCc1ccc(F)cc1 997381 ROWXIKPEJFTINC-NDENLUEZSA-N 421.399 4.897 0 40 HJAB CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)cc1 1320571 NXYBXJPVTUKPIP-AREMUKBSSA-N 417.480 4.957 0 40 HJAB COc1ccc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1OC 1322728 JEFOPNKBVLVYKF-VWLOTQADSA-N 414.505 4.999 0 40 HJAB biogenic CCOc1ccc(N2C(=O)C[C@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1 1380446 HHPCRBUPRNZKMG-VRAYXWLRSA-N 418.537 4.723 0 40 HJAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1Cc1ccco1 2400686 MKXOZQBJSUFPEC-IBGZPJMESA-N 409.800 4.924 0 40 HJAB Cc1cc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c(C)n1C[C@@H]1CCCO1 3313396 VUSQOVPDYCXBBD-KRWDZBQOSA-N 410.297 4.630 0 40 HJAB COc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2Cl)s1 3494610 ORYYETNECDFIHZ-UHFFFAOYSA-N 406.920 4.675 0 40 HJAB O=C(Nc1ccc(F)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 3644868 UVBMXNYNUASZPX-XMMPIXPASA-N 420.509 4.895 0 40 HJAB O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1ccccc1 4078267 ZLWYFBIKXWLOGA-UHFFFAOYSA-N 406.330 4.845 0 40 HJAB COc1ccc(-c2csc(NC(=O)CSc3ccc(F)cc3)n2)cc1OC 4496726 CKNBYWSKDFBSNT-UHFFFAOYSA-N 404.488 4.697 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2-n2cccc2)c1 4586088 SVAXHKWDZQWKAD-UHFFFAOYSA-N 417.538 4.714 0 40 HJAB CC(C)Oc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 5690078 XHKLKSQZJRXRFJ-LJQANCHMSA-N 401.532 4.893 0 40 HJAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 6128744 OLKBAHMKWDMYFQ-IIBYNOLFSA-N 418.566 4.819 0 40 HJAB Cc1c(CC(=O)Nc2nccs2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 6760424 KLYWFUXOZGXWID-UHFFFAOYSA-N 408.479 4.673 0 40 HJAB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(/Sc1nc2ccccc2[nH]1)C(=O)O 7342972 SWSBMPCDBPPANA-LDADJPATSA-N 412.471 4.535 0 40 HJAB CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 7814407 HMZLRYQVDCHOTL-QVKFZJNVSA-N 403.906 4.782 0 40 HJAB CN(c1c(-c2ccccc2)c2ccccc2[nH]c1=O)S(=O)(=O)/C=C/c1ccccc1 8156444 IGKPUWIUWDGQFI-WUKNDPDISA-N 416.502 4.632 0 40 HJAB CC(C)OC(=O)c1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 9205010 GAUFEKSIMAKJTQ-UHFFFAOYSA-N 403.891 4.512 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1cccnc1Cl 9632000 OPGURGJWSJSHJE-UHFFFAOYSA-N 421.913 4.714 0 40 HJAB COc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc(Cl)c1OCC(N)=O 10816206 UTLWRCRWIFHINF-UHFFFAOYSA-N 418.921 4.712 0 40 HJAB COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccc4nccnc4c3)C2)cc1 12420882 MGFZAJYPURMZIS-OAQYLSRUSA-N 414.490 4.691 0 40 HJAB Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)n(-c2nc(-c3ccccc3)cs2)n1 12441738 USHSWDNHAPSDFI-INIZCTEOSA-N 404.495 4.710 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1F 12547682 QZYNEGDLVRANDI-VWLOTQADSA-N 413.496 4.987 0 40 HJAB NC(=O)c1ccc(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)cc1 12763670 IPQUQTKMCKLKPH-XSFVSMFZSA-N 408.404 4.566 0 40 HJAB COc1ccc(Br)cc1CN(C)C(=O)CCC(=O)c1ccc(C)c(C)c1 14119480 YWTVDBFDHNUJPS-UHFFFAOYSA-N 418.331 4.696 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)c2csc(-c3ccsc3)n2)c(OC)c1 14183889 JFNKVXMALUXRCS-QGZVFWFLSA-N 400.525 4.866 0 40 HJAB Cc1ccc(C)c(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 15391062 NTNFQIBHHRVRDY-GOSISDBHSA-N 420.962 4.529 0 40 HJAB O=C(Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S)Nc1ccccc1Cl 16777955 BLZHLFUXWBDAMY-UHFFFAOYSA-N 415.950 4.867 0 40 HJAB Fc1ccc(CN2CCC(c3n[nH]c(=S)n3Cc3ccco3)CC2)c(Cl)c1 17087575 QVCLKZPGLYNLAS-UHFFFAOYSA-N 406.914 4.754 0 40 HJAB Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1Cl 18260896 OVKLPLUYZNNQGT-UHFFFAOYSA-N 417.720 4.566 0 40 HJAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C2CCCC2)C1 19528854 SMVCBQXZGDOTMG-AREMUKBSSA-N 422.544 4.580 0 40 HJAB Cc1cccn2cc(C(=O)N3CCC[C@H](c4nc5ccccc5n4C(C)C)C3)nc12 19718845 NPGZKFYZXGIFJF-SFHVURJKSA-N 401.514 4.593 0 40 HJAB COc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1-c1ccc(CO)o1 20144361 SXEJASPNYOHHOX-UHFFFAOYSA-N 415.873 4.735 0 40 HJAB CCc1ccc(-c2[nH]nc3nc(-c4ccc(OC)cc4OC)cc(C(=O)O)c23)cc1 20492329 YSIMWCCYVPWBRF-UHFFFAOYSA-N 403.438 4.570 0 40 HJAB Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCc4ccccc4C3)c(O)n2n1 23156995 YKSJKXYNTNGIHL-GOSISDBHSA-N 410.930 4.606 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 24398262 JJNHWHKOFCBDAK-INIZCTEOSA-N 404.539 4.605 0 40 HJAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(NC(=O)C2CC2)cc1 27292315 QUBOTTYCGJROMH-OAHLLOKOSA-N 421.472 4.639 0 40 HJAB CNC(=O)c1c(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)sc2c1CCCC2 27582349 CFQAZPDPADYMKF-UHFFFAOYSA-N 409.511 4.511 0 40 HJAB COc1cc2sc(NC(=S)NC(=O)c3ccc(Cl)cc3)nc2cc1Cl 32127883 APQNDEQYKRMHFU-UHFFFAOYSA-N 412.323 4.739 0 40 HJAB Cc1cc(C)cc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c1 33271978 CBZRMOZJHACKSQ-UHFFFAOYSA-N 406.507 4.670 0 40 HJAB Cc1ccc(NC(=O)COc2ccccc2-c2noc(COc3ccccc3)n2)cc1 33324974 YKMDUNDOPSEOEH-UHFFFAOYSA-N 415.449 4.642 0 40 HJAB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1ccc(Br)o1 35647038 PUZKFUKMNMNHKM-WDZFZDKYSA-N 401.644 4.726 0 40 HJAB COc1cc(/C=C2/SC(=O)NC2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F 43199918 OBBIOCQFTMNSJI-LZYBPNLTSA-N 420.368 4.702 0 40 HJAB O=C(Nc1ccc(Cl)cn1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 58581602 BSSRQNBBMKRXKW-UHFFFAOYSA-N 401.175 4.845 0 40 HJAB C[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 95987408 CBCAQTUVAPGZBX-IBGZPJMESA-N 416.525 4.581 0 40 HJAB O=C(C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21)N1CCCC1 96053205 WCHFIPJZPSQRNP-LJQANCHMSA-N 410.583 4.662 0 40 HJAB C=C/C=C(\C)N(c1ccccc1)c1ncc(C(=O)NCCCCCCC(=O)OC)cn1 98181635 KOLTWQICZYJIRV-XDHOZWIPSA-N 422.529 4.558 0 40 HJAB O=C1[C@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1CCc1ccccc1 102689357 NMCHFINFRORNIA-POYMRFPPSA-N 407.513 4.968 0 40 HJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCN 118926657 RQLXCBXLAWPNRI-NEHZRAFDSA-N 417.634 4.941 0 40 HJAB Cc1cc(OCC(=O)NCCSc2ccc(Cl)cc2)ccc1Br 218821224 NYMMARDBVRMFSG-UHFFFAOYSA-N 414.752 4.698 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(C)cc3C)c2)cc1 222539813 IXXZQXJAEMTURK-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 223223865 SEAVLGFSSWNOAT-HSZRJFAPSA-N 408.586 4.876 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCC(C)C)c1ccccc1 223411654 ONSZFEPBQDZDQQ-QFIPXVFZSA-N 400.950 4.982 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1Cc1ccccn1 223551641 DYZFTPBDWVDEDX-GOTSBHOMSA-N 412.518 4.909 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(C(C)C)cc3)cc2)cc1 224082235 RJZZFLHQUFBXIY-UHFFFAOYSA-N 422.550 4.849 0 40 HJAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1 224114494 DZGYDDGJCVJSIT-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB COCc1cccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 224543815 VQDWXXHAWAUYOU-UHFFFAOYSA-N 407.341 4.991 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 225208545 KLIDKIUIXFYJDT-ZWKOTPCHSA-N 400.950 4.523 0 40 HJAB Cc1ccc(NC(=S)NCCCc2ccccc2Cl)cc1N1CCCC1=O 225542178 STJNEUAFKAJCLU-UHFFFAOYSA-N 401.963 4.694 0 40 HJAB CCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCC[C@@H](C)C1 225715435 UXCNADATRPJALY-YKSBVNFPSA-N 402.579 4.865 0 40 HJAB CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC)cc1 225726911 ZDGNLTUCECEALD-UHFFFAOYSA-N 404.557 4.616 0 40 HJAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC[C@H](Oc2cccc3cccnc23)C1 245130849 VAPRLRYBNFXRSP-FQEVSTJZSA-N 401.441 4.663 0 40 HJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)Cc3ccccc3OC)CC2)n1 257241381 HXVUQVIFLXIJKH-UHFFFAOYSA-N 419.525 4.565 0 40 HJAB CCC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 408547205 WYRJCCYOOHIWDY-OAHLLOKOSA-N 408.951 4.676 0 40 HJAB COCCNC(=S)c1cc(Br)ccc1OCc1ccccc1Cl 408577874 VDUAXDMDQPKGIZ-UHFFFAOYSA-N 414.752 4.593 0 40 HJAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(I)cc2)c(C)c1 408835916 YVAYDXOIHDPCFF-UHFFFAOYSA-N 407.251 4.510 0 40 HJAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)c2ccccc2)CC1 408971449 ONZGQJLQNKBLQP-UHFFFAOYSA-N 400.478 4.970 0 40 HJAB CCOc1ccc([C@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1OC 408974789 DXTPJDZZDJCDAT-QGZVFWFLSA-N 413.524 4.530 0 40 HJAB O=C1N/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1c1cccc(Cl)c1 409066516 AZBZFSKVBARASQ-OMCISZLKSA-N 416.662 4.681 0 40 HJAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCCC[C@H]2C)cc1 409199376 CIBRZMOOAIPQOV-LJQANCHMSA-N 420.582 4.660 0 40 HJAB CC(C)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 409342177 AJBFQXZEQZGSSO-UHFFFAOYSA-N 408.523 4.887 0 40 HJAB C[C@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)c1ccccc1Br 521773612 QDNSHMSFLSVGST-LLVKDONJSA-N 422.266 4.850 0 40 HJAB Cc1nc2cc(NC(=O)N3Cc4ccccc4[C@H](c4cnn(C)c4)C3)ccc2s1 575619754 PKVPFRRXWAQCKW-IBGZPJMESA-N 403.511 4.518 0 40 HJAB Cn1cc([C@H]2CN(C(=O)C3c4ccccc4Oc4ccccc43)Cc3ccccc32)cn1 585407232 HMERVLQJHUFLAU-HSZRJFAPSA-N 421.500 4.832 0 40 HJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1ccc(OC)cc1 942092 WZMHABBTGTVAFX-UHFFFAOYSA-N 411.479 4.618 0 40 HJAB CCOc1ccc([C@@H](NC(=O)/C=C/c2ccco2)c2ccc(OC)c(OC)c2)cc1 2291273 QEHUSASEHIDEIZ-SWDTZWKESA-N 407.466 4.615 0 40 HJAB CCCCNC(=O)/C(=C/c1ccc(OCC)c2ccccc12)NC(=O)c1ccccc1 3009768 LNXUTOUEBPKTQJ-NKFKGCMQSA-N 416.521 4.926 0 40 HJAB CCc1ccc(CC)c(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)c1 3653699 WCEMGBRUMFYHAA-UHFFFAOYSA-N 413.520 4.933 0 40 HJAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Br)o1 4063007 BGXYLYUFBUOJQB-UHFFFAOYSA-N 400.257 4.966 0 40 HJAB aggregator C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N1CCc2ccccc21 5887105 FOKYUJUUAFGEQW-INIZCTEOSA-N 416.506 4.597 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2C)c1 6213907 MLPILMKXESJTAX-UHFFFAOYSA-N 412.486 4.804 0 40 HJAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc(C)cc1C 6359435 VXSIXHMWRRVFTF-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB C[C@H]1CCCN(C(=O)CSc2ncnc3cc(-c4ccc(F)cc4)sc23)C1 6365101 HZGSGMQVWZJHGS-ZDUSSCGKSA-N 401.532 4.848 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(OCc2ccccc2)c1 7668631 QMVPQVIMCNYADP-UHFFFAOYSA-N 400.478 4.754 0 40 HJAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3CC)CC2=O)cc1 7882526 YIWAGBMTWDDENU-INIZCTEOSA-N 415.331 4.566 0 40 HJAB COc1ccc(CCNC(=O)COc2cc(C)c(Cl)cc2C(C)C)cc1OC 8115201 QYNKVCQZLSCXLY-UHFFFAOYSA-N 405.922 4.527 0 40 HJAB COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NC(=O)NC4CCCCC4)C3)c2C)cc1 8636097 BUKVBKRZUVZJEO-UYAOXDASSA-N 408.546 4.542 0 40 HJAB biogenic,in-vitro O=C(Nc1ccccc1F)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9071668 IYPOEBLTCRLXIW-UHFFFAOYSA-N 401.441 4.902 0 40 HJAB Cn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccc2c(c1)CCCC2 9193294 CRCQBJDRLXOBKN-UHFFFAOYSA-N 402.523 4.817 0 40 HJAB Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4cccc(Cl)c4C)c3C)ns2)cc1 9638328 XKGBVUUOEFSHKC-UHFFFAOYSA-N 424.917 4.617 0 40 HJAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cncc(Br)c1 10120084 BTTNARVGFUJOCH-UHFFFAOYSA-N 408.255 4.828 0 40 HJAB COc1ccc(C(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)cc1OC 11530794 LWYAODGXEPJZTI-XMMPIXPASA-N 424.424 4.808 0 40 HJAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)Cc3ccccc3F)cc2)n1 12257042 PVLSOUYBMKJNOA-UHFFFAOYSA-N 412.468 4.512 0 40 HJAB CCc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)s1 12361439 AYNCOPLVGBQXBT-LJQANCHMSA-N 406.960 4.559 0 40 HJAB COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4c(F)cccc4F)c3)cn2n1 12441252 IGDXMMMHTAVMEG-UHFFFAOYSA-N 414.799 4.589 0 40 HJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC)O[C@@H](C)C2 12565257 TZFYSLALCRFMIG-KBPBESRZSA-N 418.921 4.818 0 40 HJAB CCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(COc3ccccc3)o2)cc1 12817815 FQUDYDZAGVYRHO-UHFFFAOYSA-N 421.449 4.637 0 40 HJAB Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccccn1)O2 13036206 YYXLTFWWXAOFCJ-XMSQKQJNSA-N 405.841 4.706 0 40 HJAB COc1cn(-c2ccccc2)nc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 14015012 CJIJLGOUFVTEPW-UHFFFAOYSA-N 410.886 4.910 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccccc1SC[C@@H]1CCCO1 14083673 JAYKVAOMKSPWPJ-FQEVSTJZSA-N 421.566 4.690 0 40 HJAB COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)cc1OC 15081444 IOMIPAVIYYEXFK-CQSZACIVSA-N 409.463 4.605 0 40 HJAB O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1cccc(F)c1 15880639 LOAXRDXUPHBFIS-UHFFFAOYSA-N 404.854 4.761 0 40 HJAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(-n3ccn(C)c3=S)n2)cc1 17180861 DACULAFZFGBLCO-UHFFFAOYSA-N 403.515 4.834 0 40 HJAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1 17963155 YPOJUMNDWYROFC-GFCCVEGCSA-N 421.353 4.726 0 40 HJAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 19692085 RLBNTNMCQZCYDJ-HSZRJFAPSA-N 410.533 4.869 0 40 HJAB CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CC2CCCC2)CC1 19700277 JDRADTYWAWJYBQ-UHFFFAOYSA-N 418.581 4.831 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20489485 RJDPFUXOJSWZME-UHFFFAOYSA-N 414.571 4.686 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)c(Br)c1 20611594 RGSPRAJSXNTQEW-FPYGCLRLSA-N 421.722 4.591 0 40 HJAB O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1c[nH]c2ccccc12 20827369 WOAWVAOPRNGUKH-UHFFFAOYSA-N 409.533 4.758 0 40 HJAB Cc1cccc(Cn2cc(Br)c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)n2)c1 27917544 RYKBAPBYXDEQSM-QZTJIDSGSA-N 410.315 4.745 0 40 HJAB O=C(Nc1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1)[C@H]1CCCO1 28221547 ODJQFJBCOCUWSS-MRXNPFEDSA-N 404.253 4.828 0 40 HJAB COc1ccc(CN(C)C(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 30946106 QGTFZXOYXNOATN-KRWDZBQOSA-N 421.368 4.873 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)c2cc(F)ccc2Br)c(OC)c1 32747575 SFWFCPXKATUFGB-QGZVFWFLSA-N 408.267 4.583 0 40 HJAB O=C(CSc1nnc(SCc2cccs2)s1)Nc1c(F)cccc1F 32823793 FKRNRYKYCQQBKT-UHFFFAOYSA-N 415.537 4.901 0 40 HJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1noc2ccccc12 32900345 WKCCEZFQWYIKJP-QGZVFWFLSA-N 413.477 4.842 0 40 HJAB C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1 35851422 FKXDPPYCCKCVCW-LBPRGKRZSA-N 414.820 4.856 0 40 HJAB COc1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc23)cc1OC 49005436 BNHOIILGGTYLBK-UHFFFAOYSA-N 420.513 4.571 0 40 HJAB CSc1nnc(CN2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)s1 58416060 DPUWXWWFTATMDZ-UHFFFAOYSA-N 414.531 4.604 0 40 HJAB Cc1c(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)oc2c1C(=O)CC(C)(C)C2 58417910 NMZCNNAITKDDLG-IBGZPJMESA-N 421.497 4.920 0 40 HJAB CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(OC)c(OCC)c3)[nH]n2)cc1 72331585 NGXBFGVLPDZDNK-UHFFFAOYSA-N 423.513 4.593 0 40 HJAB COc1c(C)cccc1CN1CCC([C@H](NC(=O)C(C)(C)C)c2nccs2)CC1 72394610 DIOVKHMCSOHPLF-IBGZPJMESA-N 415.603 4.576 0 40 HJAB Cc1cc(Br)cc(CNc2cc(-c3ccncc3)nn2C)c1OC(F)F 95465823 JVIRHBICVZYPMI-UHFFFAOYSA-N 423.261 4.767 0 40 HJAB Cc1sc(Cl)nc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 96230914 URCZPLCVBHLZAL-UHFFFAOYSA-N 411.958 4.652 0 40 HJAB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1 100565906 GOYZKYVQWGNNAH-ACRUOGEOSA-N 422.843 4.530 0 40 HJAB COc1ccc(CCCNC(=O)c2cccc(OCc3ccccc3)c2)cc1OC 218978824 ZJPRUWOMTCGPGX-UHFFFAOYSA-N 405.494 4.645 0 40 HJAB O=C(Nc1ccc(Br)cc1F)c1cnc(-c2ccc(Cl)cc2)nc1 222604816 RVPPZOGLBDRUHS-UHFFFAOYSA-N 406.642 4.951 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(OC)cc3)N21 222707844 RWFVPQPMKPUOHC-URZJWIJPSA-N 404.539 4.860 0 40 HJAB C[C@H](C(=O)NCCC1=CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222915108 JSNBTZCWUWGLHR-HXUWFJFHSA-N 422.544 4.792 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)ccc1C 223071234 YJZUFTIDOIXFQW-OALUTQOASA-N 414.977 4.831 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 223740005 MKYKSMLVUFVNPP-OYADDEIPSA-N 418.493 4.553 0 40 HJAB O=C1CCCN1c1ccc(NC(=S)NCCCSCc2ccccc2F)cc1 225613002 LFUWDVVYEFMLPZ-UHFFFAOYSA-N 417.575 4.562 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)c1 225861859 KHPBBLHIQDLKCV-UHFFFAOYSA-N 418.946 4.891 0 40 HJAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cc(C(C)C)no3)o2)c1 257316699 VGPUSMWWMRNKAP-FQEVSTJZSA-N 409.486 4.753 0 40 HJAB OCc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 389215204 UYFPELVXFLROHN-UHFFFAOYSA-N 406.501 4.936 0 40 HJAB Cc1ccc(-c2nnc(SC(=O)c3ccc(I)cc3)o2)cc1 408599786 KRRKDJMTYGMLTD-UHFFFAOYSA-N 422.247 4.582 0 40 HJAB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc(F)c1 408806912 BNWMKISEECRZSR-SXGWCWSVSA-N 407.850 4.733 0 40 HJAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 409374026 JKMMVCCFJPZIQY-XDHOZWIPSA-N 424.522 4.686 0 40 HJAB C[C@H]1Oc2ccc(NC(=O)NCc3ccc(Oc4ccccc4)cc3)cc2NC1=O 522234587 UGGJUDLKZXXHLG-OAHLLOKOSA-N 403.438 4.520 0 40 HJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1Br 575610474 NPXRGHKJCLVQEY-AWEZNQCLSA-N 408.342 4.703 0 40 HJAB Cc1cccc([C@H](NC(=O)Nc2nc3ccc(Cl)nc3s2)c2ccccn2)c1 1671457219 AAQPRGAHTSWCDX-KRWDZBQOSA-N 409.902 4.959 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Br)o1 851198 YOADCFBYULUUQB-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB O=C(NCc1cccs1)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F 866039 BMVFJJVQORPHOM-HZPDHXFCSA-N 424.423 4.674 0 40 HJAB COc1ccc(CSc2nc(N)c3c4c(sc3n2)CO[C@H](C(C)C)C4)cc1 1296576 ZRXYGJPOLLOREZ-HNNXBMFYSA-N 401.557 4.672 0 40 HJAB Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2cccc(O)c2)n1 1315221 VPXXKRWWLHWHSM-QFIPXVFZSA-N 412.445 4.569 0 40 HJAB FC(F)(F)c1cnc(-n2c3c(c4ccccc42)CC2(CC3)OCCO2)c(Cl)c1 1381924 BRZGXISBIOFLAV-UHFFFAOYSA-N 408.807 4.930 0 40 HJAB Cc1ccc(-c2nc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)no2)cc1 1390531 COYDVRIFNXZISO-UHFFFAOYSA-N 420.513 4.769 0 40 HJAB Oc1ccc(Oc2ccccc2)cc1[C@@](O)(c1nc2ccccc2[nH]1)C(F)(F)F 1424840 OSGQWUSUIXUIHY-HXUWFJFHSA-N 400.356 4.859 0 40 HJAB O=C(c1ccccc1Cl)N1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 1458415 LBHKKZAEUWJNLY-OAQYLSRUSA-N 424.972 4.674 0 40 HJAB CCCCn1c(NC(=O)c2ccccc2)c(C(=O)OCC)c2nc3ccccc3nc21 2280628 WWRDBWVQVPAHMY-UHFFFAOYSA-N 416.481 4.814 0 40 HJAB Cn1cccc1C(=O)O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 2664094 SVPWEKORSRBODY-GOSISDBHSA-N 402.372 4.581 0 40 HJAB CCc1ccccc1NC(=O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 3139314 RZLQACCLGAOOKZ-UHFFFAOYSA-N 417.416 4.686 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cccc(N(C)C)c1)CC2 3224983 WZTBHMXQJORCDD-QHCPKHFHSA-N 422.550 4.619 0 40 HJAB O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(Br)o1 3530879 ZHVCEEXIPATVFP-QGZVFWFLSA-N 418.218 4.718 0 40 HJAB Clc1ccccc1OCc1nnc(SCc2cn3ccccc3n2)n1C1CC1 4408182 ASMKBELRGVSJMR-UHFFFAOYSA-N 411.918 4.785 0 40 HJAB COC(=O)c1ccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)cc1 4616711 NYWYXSRKUKZCNB-UHFFFAOYSA-N 415.489 4.742 0 40 HJAB CCCC(=O)Nc1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 5234515 DVHHEOMCNKAWJE-UHFFFAOYSA-N 417.314 4.541 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(F)c2)N1c1ccccn1 5271763 VTMRAMPFEAOZAB-IBGZPJMESA-N 406.800 4.730 0 40 HJAB Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(F)cc2)no1 5303853 ISHFZFRDNPIXAT-HXUWFJFHSA-N 404.397 4.595 0 40 HJAB CCOC(=O)COc1c(Cl)cc(/C=C2/Sc3ccccc3C2=O)cc1OC 6326350 FHQZJARBGRQUQM-LICLKQGHSA-N 404.871 4.620 0 40 HJAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1 6766796 FCSDUULPKZUVKI-UHFFFAOYSA-N 420.534 4.814 0 40 HJAB aggregator CSc1ccccc1NC(=O)C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccccc1 6844794 WFTLCYVMYXGIAA-LJQANCHMSA-N 418.518 4.875 0 40 HJAB COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)ccc1O 7064864 YQITXDDUZAGSSZ-NMNUPHIUSA-N 401.934 4.923 0 40 HJAB biogenic,in-vitro c1ccc([C@@H]2Sc3nnc([C@H]4CCCO4)n3N=C2c2c[nH]c3ccccc23)cc1 8278813 HOKONEQXAMFALV-QUCCMNQESA-N 401.495 4.710 0 40 HJAB O=C(Nc1ccccc1Cl)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 8286706 UCEKZSKZYSTGQC-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB COc1ccc(-c2nc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)sc2C)cc1 8328070 PWRGEUZSOIIBKK-KRWDZBQOSA-N 400.887 4.723 0 40 HJAB O=C(CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)N1CCCCCC1 9190729 IBRYKHWVIQOLEZ-DEOSSOPVSA-N 401.510 4.506 0 40 HJAB Cc1ccccc1N1C[C@@H](c2nnc(NC(=O)CCC3CCCCC3)s2)CC1=O 9198692 XOVDBIHRWBWTQB-KRWDZBQOSA-N 412.559 4.666 0 40 HJAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(OCc2cscn2)cc1 9366371 KEOFPBLOTNJIBB-UHFFFAOYSA-N 407.539 4.595 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2C)cc1 10336184 PXDOOUPYRPOMMJ-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cc(-c2ccc(Cl)cc2)[nH]n1 10547976 IQCWJXMHDJXEOH-UHFFFAOYSA-N 406.829 4.828 0 40 HJAB O=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1ccccc1C(F)(F)F 11025066 RUFRUOIWSXYMCN-UHFFFAOYSA-N 422.186 4.573 0 40 HJAB CCOC(=O)c1ccc(NCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 11038825 NHZKUZZGALEQJY-UHFFFAOYSA-N 418.449 4.822 0 40 HJAB Fc1ccc2[nH]cc(CCNc3ncc(-c4cnccn4)c(-c4cccs4)n3)c2c1 12184760 HRZRCAXPGOLYTM-UHFFFAOYSA-N 416.485 4.937 0 40 HJAB O=C(/C=C/c1ccccc1F)Nc1ccnn1Cc1cc(Br)cs1 12946269 VFGNOQCLDFVPJE-AATRIKPKSA-N 406.280 4.546 0 40 HJAB Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccc(Br)s3)cs2)cc1 13016705 FFEYCJZALDGOKE-UHFFFAOYSA-N 422.325 4.982 0 40 HJAB Cc1ccc(NC(=O)CCc2ccco2)cc1S(=O)(=O)Nc1ccccc1Cl 13022204 AZIMWVKYTJYELE-UHFFFAOYSA-N 418.902 4.614 0 40 HJAB C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1cccc2ccccc12 13055728 MLSUQUILESWAOU-SFHVURJKSA-N 415.537 4.802 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2CC)cc1 13842244 STFUBKHOOATUIU-UHFFFAOYSA-N 424.570 4.787 0 40 HJAB COc1cccc(/C=C(/C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c2ccccc2)c1 13865423 IPIOFSASIRPEHU-ULPZNOGDSA-N 421.537 4.720 0 40 HJAB O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 13984670 FDKFQXGNIJKQCO-LJQANCHMSA-N 424.497 4.627 0 40 HJAB CCN(CC)Cc1nc(Sc2nnc(C3CC3)n2CC)c2c(C)c(C)sc2n1 14234014 MIHGWQWOYPXMIO-UHFFFAOYSA-N 416.620 4.790 0 40 HJAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 14254191 SPLXEMZDTSYQBG-UHFFFAOYSA-N 421.884 4.720 0 40 HJAB Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3ccc4c(c3)OCO4)[C@H]2c2cccs2)cc1 16018609 YYAHCFSZCUMPQE-JTSKRJEESA-N 420.490 4.518 0 40 HJAB O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2ccc(F)cc2)C1)Nc1ccc(F)cc1 16428379 HRJQDDLRIBCMJZ-HOTGVXAUSA-N 416.472 4.714 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 16591635 XVCZYIFVWVQIPK-YLJYHZDGSA-N 406.448 4.958 0 40 HJAB COc1ccc(C)cc1NC(=O)CSc1nccn2nc(-c3ccc(C)cc3)cc12 17051552 ZVLWLHHANGIGJV-UHFFFAOYSA-N 418.522 4.753 0 40 HJAB C[C@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cc2C1 18039523 OAVDIQADDOMXEP-NSHDSACASA-N 411.354 4.890 0 40 HJAB COc1ccc2c(c1)OC1(CCN(C(=O)c3oc4c(F)cccc4c3C)CC1)CC2=O 19565786 OURLNYRTSGZWPV-UHFFFAOYSA-N 423.440 4.529 0 40 HJAB Cc1cc(NC(=O)C[C@@H](c2c[nH]c3ccccc23)C(C)C)n(Cc2ccncc2)n1 19574576 YHTRBEBBTKYQDA-HXUWFJFHSA-N 401.514 4.885 0 40 HJAB Cc1nc([C@@H]2CCCCN2C2CCCCC2)ncc1C(=O)NCc1ccc(F)cc1 19753228 NEYYCNVZNQPTCJ-QFIPXVFZSA-N 410.537 4.714 0 40 HJAB Cc1nc([C@@H]2CCCN2CCc2ccccc2)ncc1C(=O)Nc1ccc(F)cc1 19755511 WFFLOHGXVQWMJY-QFIPXVFZSA-N 404.489 4.556 0 40 HJAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20447714 RDQVKRANEWHWEB-UHFFFAOYSA-N 407.853 4.523 0 40 HJAB Cc1cc(C)c(NC(=O)CSCc2nc3sc(C)c(C)c3c(=O)[nH]2)c(Cl)c1 22210200 ZLZPOFPRSNILHW-UHFFFAOYSA-N 421.975 4.744 0 40 HJAB CCN(Cc1cccc(F)c1)C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 24984104 BNXNLFAXQXSTDY-QFIPXVFZSA-N 400.494 4.916 0 40 HJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)NC2CCN(Cc3ccccc3)CC2)s1 29562998 QJYWIRLCWKNYLC-UHFFFAOYSA-N 423.557 4.581 0 40 HJAB CCOc1ccc(CCC(=O)Nc2ccc(Br)cc2F)cc1OCC 30751697 CWHJKZIEDHXBKH-UHFFFAOYSA-N 410.283 4.957 0 40 HJAB COc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCCC2)cc1OC 35622763 ZIXUOMBQILWNAQ-UHFFFAOYSA-N 407.518 4.568 0 40 HJAB COc1ccc(-c2cnn3c(C)c(C(=O)Nc4ccc(Cl)cc4)cnc23)cc1OC 38829672 QCLPTPIWTMEFQN-UHFFFAOYSA-N 422.872 4.628 0 40 HJAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC)c4ccccc34)N(C)C2=S)cc1 39556741 ZKJZTVNDHRNZIM-STZFKDTASA-N 405.523 4.664 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc(I)c2)cc1 39995056 HLPOKTFUCQDRSW-UHFFFAOYSA-N 409.267 4.606 0 40 HJAB COc1cc(NC(=O)c2ccc(C)cc2C)c(C(=O)N2[C@H](C)CCC[C@H]2C)cc1OC 40087643 IZUYFAFIVPFMMX-QZTJIDSGSA-N 424.541 4.976 0 40 HJAB Fc1ccc(Oc2nc(N3CCCC3)nc3c2CN(Cc2ccccc2)CC3)cc1 57774614 SIXKSCWGLISHLF-UHFFFAOYSA-N 404.489 4.567 0 40 HJAB O=C(CN1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1)Nc1ccc(F)cc1Cl 72305169 LHFGDVHYBLLJGX-IBGZPJMESA-N 416.859 4.784 0 40 HJAB CC(C)(C(=O)N1CC=C(c2ccnc3[nH]ccc23)CC1)c1cccc(Br)c1 95465430 RSIBRWGSOYTKBW-UHFFFAOYSA-N 424.342 4.919 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1O 214388471 KJBRSYWMGRVXOD-FRKPEAEDSA-N 410.278 4.944 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)ccc1Cl 222844320 IERZULMPLHVALF-HNNXBMFYSA-N 412.873 4.577 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1C 222948746 DOOLSRSADXFKFW-HXUWFJFHSA-N 412.599 4.562 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 223739951 MKYKSMLVUFVNPP-JYBCESJWSA-N 418.493 4.553 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCCCC2)c1 224642414 NFNPXAVEFLRCAK-UHFFFAOYSA-N 407.341 4.675 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 225008562 KAMHQMJCAWXOTQ-PMACEKPBSA-N 412.599 4.560 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 225556045 FBXHBDNAIYPCDH-ZJSXRUAMSA-N 408.586 4.876 0 40 HJAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1cccc(Br)c1 225739073 NJTHZFKEHMJLOM-AWEZNQCLSA-N 404.377 4.577 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)n(C)n1 257228922 FVXADCOJSNVQQW-IBGZPJMESA-N 412.921 4.753 0 40 HJAB O=C(N1CCOC[C@@H](Cc2cncc3ccccc23)C1)C1(c2ccccc2)CCCC1 257236965 HEPUPDHUNYVYIL-NRFANRHFSA-N 414.549 4.764 0 40 HJAB Cc1nc(Cc2ccccc2)sc1C(=O)N1[C@@H]2CN(C)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257286692 PMPGSEWXSGVSGU-CMCWBKRRSA-N 409.599 4.520 0 40 HJAB Cc1cc(S(=O)(=O)N[C@H](C)CCc2ccccc2)ccc1NC(=O)c1ccccc1 408613213 ZSGKUICDWVZTPD-LJQANCHMSA-N 422.550 4.547 0 40 HJAB O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)N1CCCCC1 408704944 WAPLTOWWKRCXRL-QFIPXVFZSA-N 414.958 4.740 0 40 HJAB O=C(c1cc2c(Cl)cccc2[nH]1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 583647583 MUMOMJJBRFKSKD-ZCVTWQBDSA-N 409.961 4.857 0 40 HJAB biogenic CC(=O)N1CCCCCCCN(C(=O)c2cc(CC(C)C)no2)Cc2ccccc21 643553399 RJBOVGYARYQQNR-UHFFFAOYSA-N 411.546 4.833 0 40 HJAB O[C@@H](Cn1nnc2ccccc21)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 626722 OPCSKGOWJUXGNZ-OAHLLOKOSA-N 411.292 4.907 0 40 HJAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1 915965 QKBZXCRUTCHDFC-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB Cc1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c(C)c1 918234 ULFTVBCGOOXBOB-UHFFFAOYSA-N 400.360 4.877 0 40 HJAB CC(C)[C@H](NC(=O)CCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 2318797 GDTJRVIADCRKPU-QHCPKHFHSA-N 406.526 4.747 0 40 HJAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1cc(C(F)(F)F)ccc1Cl 2658963 YWOCDJKOLCIEAX-UHFFFAOYSA-N 410.779 4.565 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(c1cc(C)on1)C3=O 2703592 NWKIKNXLCWAHNE-LJQANCHMSA-N 406.825 4.801 0 40 HJAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCCC1=CCCCC1 3310045 PXNBJTGAGXLSRN-UHFFFAOYSA-N 404.466 4.658 0 40 HJAB O=C1N[C@H](c2cccc(Cl)c2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 4525611 BTLPDUADAMVPBD-FQEVSTJZSA-N 409.942 4.814 0 40 HJAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(-c4cc(C(=O)O)c5ccccc5n4)c3)C(=O)[C@@H]2C1 4554353 KRHLFRKHJGTREM-MDASCCDHSA-N 414.461 4.526 0 40 HJAB O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1O 4819626 QYFDGPJQFCEZDX-UHFFFAOYSA-N 400.356 4.916 0 40 HJAB CCCn1c(SCC(=O)Nc2cccc(CC)c2)nc2c(oc3ccccc32)c1=O 4852715 JSPBRNHDUKKPSD-UHFFFAOYSA-N 421.522 4.846 0 40 HJAB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)no1 5624126 KSTDGGFCHBPUJB-UHFFFAOYSA-N 419.510 4.578 0 40 HJAB COc1ccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccccc2)c(OC)c1 5625607 XDYXRHUNZGDKQD-DEOSSOPVSA-N 411.461 4.844 0 40 HJAB CCOc1ccc(-n2c(SCc3c(C)noc3C)nc3ccccc3c2=O)cc1 6035238 JOPXNSDFSMQLAX-UHFFFAOYSA-N 407.495 4.682 0 40 HJAB CCNC(=O)c1c(NC(=O)Cc2coc3cc(C)cc(C)c23)sc2c1CCCC2 6809836 CPNMWOLRPDRBGG-UHFFFAOYSA-N 410.539 4.921 0 40 HJAB O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1ccc(Cl)cc1C(F)(F)F 6886688 FWHBILANIGQBML-FPYGCLRLSA-N 401.743 4.693 0 40 HJAB Oc1ccccc1-c1nc(/C=C/c2ccccn2)nc(Nc2nc3ccccc3o2)n1 8036230 UNQKHWACYYLTLA-OUKQBFOZSA-N 408.421 4.694 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1ccc(Cl)cc1Cl 8134874 PVYNYKUXOMCCLI-UHFFFAOYSA-N 402.325 4.697 0 40 HJAB CCOC(=O)C1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1 8147417 FJONRAKITIJVIF-UHFFFAOYSA-N 401.919 4.791 0 40 HJAB CCc1cccc(CC)c1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8310332 BOVNIOLDXOTXHD-OAQYLSRUSA-N 408.542 4.748 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1F)c1cccc(Cl)c1 8810216 JKGAUJWXDBIPEG-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 8848694 WAMPVVMTBKNMIU-UHFFFAOYSA-N 422.531 4.928 0 40 HJAB O=C(CCC(=O)c1ccc(Br)cc1)NCCCSc1ccccc1 9217009 NFMBNEIRPSKLME-UHFFFAOYSA-N 406.345 4.711 0 40 HJAB COc1cc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)nc(C)n1 12225263 QIMDHXKWBZVIKZ-UHFFFAOYSA-N 402.376 4.808 0 40 HJAB Cc1ccc(NC(=O)Cc2csc(SCC(=O)c3ccc(F)cc3)n2)cc1F 12444191 IYIQAIRJQCBQBO-UHFFFAOYSA-N 418.490 4.886 0 40 HJAB O=c1c2cc(Br)ccc2nc(SCc2cccnc2)n1-c1ccccc1 12522895 BIJYXGHSJYVYSW-UHFFFAOYSA-N 424.323 4.836 0 40 HJAB CC(=O)Nc1cccc(Nc2nnc(S[C@H](C)c3nc(C(C)(C)C)no3)s2)c1 12537588 SCILNIYRTDAFQC-SNVBAGLBSA-N 418.548 4.774 0 40 HJAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc2ccccc2c1=O 12776642 PUVAAZRGGJKZSB-GFCCVEGCSA-N 421.444 4.555 0 40 HJAB COc1ccccc1CN(C)Cc1nc2sc(C)c(-c3ccc(C)cc3)c2c(=O)[nH]1 12875333 HCDCSADOCJNCJH-UHFFFAOYSA-N 419.550 4.909 0 40 HJAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1oc2c(Cl)cccc2c1C 12921570 XXPOWWDBKHTMJD-UHFFFAOYSA-N 400.862 4.504 0 40 HJAB Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccc(-c2nnc3n2CCCCC3)c1 12931457 PPMOXQXYCKWPGR-GOSISDBHSA-N 404.514 4.694 0 40 HJAB COc1ccc([C@@H](NC(=O)COc2ccc(Br)cc2Cl)C2CC2)cc1 12943226 DRZQWXHBMZKVGI-IBGZPJMESA-N 424.722 4.757 0 40 HJAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(OC(F)F)c(OC)c1 13098492 YRTJOLMFDDZNKS-UHFFFAOYSA-N 420.364 4.577 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)N1c1ccccc1 13810854 XQCFIHZIJUUOLT-NJDAHSKKSA-N 422.843 4.530 0 40 HJAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)Cc2ccccc2)c1C 14405531 PQACSPKUSHTKMO-UHFFFAOYSA-N 404.514 4.734 0 40 HJAB Fc1ccc(Nc2nc(NCc3cccnc3)nc3c2cnn3-c2ccccc2)cc1 17200439 VZYZQSBIRPEPHP-UHFFFAOYSA-N 411.444 4.705 0 40 HJAB Cc1cc(C)n(-c2cccc(C(=O)N3CCC(c4noc5cc(F)ccc45)CC3)c2)n1 19574717 LAIOAQBVCNLZON-UHFFFAOYSA-N 418.472 4.789 0 40 HJAB Cc1noc(C)c1Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)o1 19581031 LSRWBJPCMAHTSQ-KRWDZBQOSA-N 412.461 4.546 0 40 HJAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3cn(C)nc3C)no2)cc1OC 19583849 RMLZIUMENWASPC-HXUWFJFHSA-N 410.518 4.518 0 40 HJAB CC(C)c1ccc(-c2c3c(nc4nc(N5CCCCC5)[nH]c(=O)c24)CCCC3=O)cc1 19820048 FNCPUHACCSEWQH-UHFFFAOYSA-N 416.525 4.618 0 40 HJAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20107334 YGZBGJITPJYYSI-UHFFFAOYSA-N 424.522 4.810 0 40 HJAB Cc1cc(OCC(=O)N2CCCC[C@@H]2CCN2CCCCCC2)cc(C)c1Cl 21170876 QEKNDGZMTJBXMH-HXUWFJFHSA-N 406.998 4.983 0 40 HJAB COc1cccc(CCC(=O)NCCSCc2ccc(Br)s2)c1 23151439 POHPPJHZVKGMBA-UHFFFAOYSA-N 414.390 4.501 0 40 HJAB COCCOc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)ccc1OC 24936406 XCHSYQJAJMSYOV-UHFFFAOYSA-N 405.450 4.597 0 40 HJAB O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCO[C@H](c2ccccc2)C1 27913245 PDCYLFYEWFCIGE-QFIPXVFZSA-N 405.881 4.785 0 40 HJAB Cc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 30853727 FDNSVRDUMFGFOD-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB CC(C)c1c(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cnn1-c1cccc(Cl)c1 32466332 NBNZPCXNQXYGPM-UHFFFAOYSA-N 410.905 4.603 0 40 HJAB Cc1ccccc1OCC(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623025 POZPBAJDXSHYKV-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB Cc1ccc([C@H](NC(=O)NCc2ccc(Cn3cccn3)cc2)c2cccs2)cc1 32802084 QJHXJSQIRYYCDV-QHCPKHFHSA-N 416.550 4.890 0 40 HJAB COc1ccc(Br)c(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c1 58005269 UQYGWJUOHVOLNU-UHFFFAOYSA-N 415.165 4.870 0 40 HJAB O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCc2sccc2[C@@H]1c1ccccc1 58055105 ZBCXATASWJDWBZ-OFNKIYASSA-N 421.566 4.835 0 40 HJAB Cc1cc(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)c2c(C)noc2n1 58310475 ZNBBIRCXUZFCTE-UHFFFAOYSA-N 415.375 4.605 0 40 HJAB C[C@H](NC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1)c1ccncc1 58420364 VQAGYZORJPSBPW-ZDUSSCGKSA-N 413.275 4.914 0 40 HJAB O=[S@](Cc1cc(Cl)c2c(c1)OCCCO2)Cc1cc(-c2ccccc2)on1 72273124 CUWLQXSWEFTWRR-MHZLTWQESA-N 403.887 4.605 0 40 HJAB COc1cc2c(N(C)C(=O)c3cccc(OC)c3OC)cccc2cc1OC(C)C 85367513 SXUGSSASUJWNFS-UHFFFAOYSA-N 409.482 4.929 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1nc(-c2ccccc2Cl)no1 95482371 ZAAPRHZVYNTBKH-OAHLLOKOSA-N 406.269 4.517 0 40 HJAB CCSC1=NC2(CCN(C(=O)Nc3ccccc3F)CC2)N=C1c1ccccc1 96399311 RSTYVUHWXXCNRG-UHFFFAOYSA-N 410.518 4.804 0 40 HJAB Brc1ccc(C2=C[C@@H](c3cccc4ccccc34)n3nnnc3N2)cc1 101070162 NRIVPVSKNITMBB-IBGZPJMESA-N 404.271 4.645 0 40 HJAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1Cl 216395126 WPOOCPHPKOJZRX-UHFFFAOYSA-N 422.717 4.765 0 40 HJAB Cc1cccc(CSCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 222747856 UFUSBTINIAMNCM-UHFFFAOYSA-N 401.919 4.590 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 223980773 PHCXCKHQYOSEOV-UHFFFAOYSA-N 424.522 4.872 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCOc1ccccc1 224061117 MLVFCPGLNICEPL-XMMPIXPASA-N 424.585 4.612 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 224524181 KMYQHXJRMBOLIS-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)c(I)c1 225025047 GMIYHDCKSCRADG-UHFFFAOYSA-N 413.686 4.616 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl 225195617 PAZSGWKSTCYNCU-QGZVFWFLSA-N 418.940 4.745 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cccc2c1CCCC2 225232343 QDICWTLOAHLHFT-HRAATJIYSA-N 409.526 4.760 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 225248491 OJVLDBPISNHLFK-HOTGVXAUSA-N 421.368 4.868 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 225334397 JSOKLMQUDFYCTO-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225698959 ZCCIKFUNKNOCSL-INIZCTEOSA-N 421.368 4.520 0 40 HJAB O=C(O)c1ccc(-c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)o1 226353335 JBZPKZLSYCNZJI-UHFFFAOYSA-N 412.250 4.752 0 40 HJAB O=C1Oc2ccccc2[C@@H]2c3sc(=O)[nH]c3S[C@H](c3ccc(Cl)cc3)[C@@H]12 226807641 IPSHIDQQUQICMR-SOUVJXGZSA-N 401.896 4.604 0 40 HJAB C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCC(Cc2ccccc2)CC1 253395765 CLXMWZDXOUCURE-INIZCTEOSA-N 408.473 4.629 0 40 HJAB biogenic,in-vitro C[C@H](C(=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1)c1ccccc1 257212335 CCWQLVISIOYEQX-IPJJNNNSSA-N 400.526 4.732 0 40 HJAB O=C(c1ccnc(-c2cncnc2)c1)N1CCC[C@@H](Cc2cccc3ccncc23)CC1 257261574 LHXRFAZAGYRJAS-LJQANCHMSA-N 423.520 4.572 0 40 HJAB O=C(O)c1cnc(N2CCCC[C@@H]2Cc2ccccc2)nc1CCc1cccc(F)c1 257339160 ZAKZAAQGQSWDEF-OAQYLSRUSA-N 419.500 4.701 0 40 HJAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Br)cc2Cl)CC1=O 408644413 RCTKVXVDRWBIFX-GXTWGEPZSA-N 421.722 4.651 0 40 HJAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408706731 CUQVMCFNKSEPBM-OAQYLSRUSA-N 416.496 4.517 0 40 HJAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C 409344218 IFCMYQSPIJGVNT-WFASDCNBSA-N 418.950 4.669 0 40 HJAB COc1cccc(C(=O)Nc2ccc3oc(-c4cncc(Br)c4)nc3c2)c1 1263113 ZLWGGNLABRVPPG-UHFFFAOYSA-N 424.254 4.913 0 40 HJAB O=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)Nc1cc(F)ccc1F 3264480 WFXYCLVYPHQQCR-OAQYLSRUSA-N 413.445 4.980 0 40 HJAB O=C(CSc1ccc2c(c1)OCCO2)Nc1nc(-c2cc(F)ccc2F)cs1 3333486 RNXOBTDYMUJVOG-UHFFFAOYSA-N 420.462 4.590 0 40 HJAB COc1ccc(CNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 3371160 YVGQTFAHLCSVPY-QFIPXVFZSA-N 422.912 4.526 0 40 HJAB Cc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)c(Cl)c1 4193150 LHVKQLZLCFPLPY-UHFFFAOYSA-N 407.901 4.825 0 40 HJAB COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)C)c2ccccc2)cc1 4936165 WEEKWKDFVFTXHP-OAQYLSRUSA-N 406.482 4.591 0 40 HJAB C[C@@]12C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]1ON(c1ccccc1)[C@@H]2c1ccccc1 4957697 JMURSCATIIKWMK-LGVFNWMJSA-N 418.880 4.781 0 40 HJAB C[C@@H](Sc1nc(O)cc(-c2ccccc2)n1)C(=O)Nc1nc2ccccc2s1 4999498 JHJNOTWKBRZHKI-GFCCVEGCSA-N 408.508 4.578 0 40 HJAB O=S(=O)(NCCc1csc(-c2cccc(F)c2)n1)c1ccc2ccccc2c1 5137719 INOFMVLTWDDHBE-UHFFFAOYSA-N 412.511 4.623 0 40 HJAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1c(-c2ccccc2)nc2ccccn12 5269063 YYEMUKHNTANRJC-UHFFFAOYSA-N 403.791 4.884 0 40 HJAB Cc1cc(C(=O)CSc2nc(-c3ccncc3)n[nH]2)c(C)n1CCc1ccccc1 5531383 JSNFSTKJQXPFRT-UHFFFAOYSA-N 417.538 4.503 0 40 HJAB Nc1cc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)ccc1Cl 5656331 FZEVEBXLGCEDRO-UHFFFAOYSA-N 410.882 4.909 0 40 HJAB CSc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1 6146480 YZMNXTFYLVKIAE-UHFFFAOYSA-N 416.499 4.601 0 40 HJAB COc1cc(C(=O)OCc2c(C)noc2C)ccc1OCc1ccc(Cl)cc1 6588596 KAKYJDLLADXILF-UHFFFAOYSA-N 401.846 4.889 0 40 HJAB CCOC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 6612694 WYDPOMNGMYWIBA-UHFFFAOYSA-N 408.310 4.896 0 40 HJAB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)no1 6790840 MOTVSYFMAVMXNH-UHFFFAOYSA-N 415.494 4.617 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)cc1C 7605373 GJJHNAFUPIJAMA-UHFFFAOYSA-N 417.918 4.958 0 40 HJAB Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccccc2)cc1Cl 8476995 GGSHZOPSKGDRLC-UHFFFAOYSA-N 402.885 4.826 0 40 HJAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCC[C@H]1c1nc2ccccc2s1 8744911 DQVWVTYRXZCSTP-FQEVSTJZSA-N 402.523 4.778 0 40 HJAB COc1ccc(Nc2nnc(SCC(=O)Nc3ccc(F)cc3Cl)s2)cc1 9663410 CTWXLGJINYWGKQ-UHFFFAOYSA-N 424.910 4.814 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)Nc2nccs2)cc1 9668163 UUGCNWNTCLJHQM-UHFFFAOYSA-N 422.293 4.720 0 40 HJAB CCOC(=O)[C@@H](C)Oc1cc2c(-c3cc4cccc(OC)c4o3)cc(=O)oc2cc1C 9708073 OROFLJOBLXMADI-CQSZACIVSA-N 422.433 4.854 0 40 HJAB biogenic CCN(CC)CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccccc1 10233064 RHPCJQKRCXMDQA-NRFANRHFSA-N 424.928 4.642 0 40 HJAB Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1NS(=O)(=O)c1ccccc1 10363459 XFMXJVSZRFJGBL-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1cc(C)c2sc(N(CCCn3ccnc3)C(=O)Cc3ccccc3)nc2c1 10381595 RMHNNGVXILZLNS-UHFFFAOYSA-N 404.539 4.776 0 40 HJAB CC[C@@H](NC(=O)Cn1c(-c2cccc(C)c2)n[nH]c1=S)c1ccc(Cl)cc1 10423526 ITEMXKUWTXIOGA-QGZVFWFLSA-N 400.935 4.837 0 40 HJAB COc1ccccc1Oc1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 11519883 BJAGZUVDTHTZLL-NRFANRHFSA-N 420.490 4.929 0 40 HJAB Cc1c(C(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)[nH]c2ccc(F)cc12 12185327 IHJOKDAJDJWENB-UHFFFAOYSA-N 421.497 4.960 0 40 HJAB O=C(Nc1ccccc1N1CCCC1=O)c1cc(-c2ccncc2)nc2ccccc12 12526914 WLQJVCAJBYEXIA-UHFFFAOYSA-N 408.461 4.676 0 40 HJAB COC(=O)c1ccc(CN(C)C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc1 12940138 RPDFYSSYFJSXTC-UHFFFAOYSA-N 408.523 4.992 0 40 HJAB O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(OCc2ccccc2)cc1 12948153 YQZAHPZMLSBTMZ-UHFFFAOYSA-N 420.852 4.513 0 40 HJAB CN(Cc1ccccc1OC(F)(F)F)C(=O)Cc1csc(-c2ccsc2)n1 12979004 PPMODZTUJYENFE-UHFFFAOYSA-N 412.458 4.971 0 40 HJAB O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1ccccc1 13450334 RAYXJHGTHOXJBX-UHFFFAOYSA-N 421.444 4.944 0 40 HJAB O=C(CSC(c1ccccc1)c1ccccc1)OCC(=O)N1CCc2ccccc21 14141267 MYGVZAIXESWFIP-UHFFFAOYSA-N 417.530 4.642 0 40 HJAB Cc1ccc(-c2noc(CSc3nnc(-c4ccc(Cl)cc4)n3C)n2)cc1F 14196450 PPEOLGRJLCDWIT-UHFFFAOYSA-N 415.881 4.925 0 40 HJAB CCCn1c(C)cc(-c2csc(NC(=O)c3cc(=O)[nH]c4ccccc34)n2)c1C 16045554 CFTHDJHIDFIPFH-UHFFFAOYSA-N 406.511 4.732 0 40 HJAB CCc1ccc(-c2cc3c(SCC(=O)Nc4cc(F)ccc4F)nccn3n2)cc1 16841674 HUOSBXBUXDFNQC-UHFFFAOYSA-N 424.476 4.968 0 40 HJAB COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)cc1 17012036 DADNCYUFXQSDLQ-UHFFFAOYSA-N 410.524 4.556 0 40 HJAB C[C@@H](NC(=O)COc1ccc(N2CCCC2=O)cc1)c1ccc(-c2ccccc2)cc1 17959957 FBVWYTZHTSQYMN-LJQANCHMSA-N 414.505 4.737 0 40 HJAB CCN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(Cl)s1 18936048 LDQOHMOEPSROTK-UHFFFAOYSA-N 402.951 4.665 0 40 HJAB CC(C)(C)NC(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)C2CC2)C1 19082870 JMNUOPFZTCCTDM-AREMUKBSSA-N 422.544 4.579 0 40 HJAB CCOc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccc(F)cc4)nc32)cc1 21801375 VDCXPHNWIFCVBR-UHFFFAOYSA-N 401.445 4.890 0 40 HJAB COc1cccc(NC(=O)c2cccnc2Nc2ccc(OC(F)(F)F)cc2)c1 22072124 RGRPLMGSTOFTBU-UHFFFAOYSA-N 403.360 4.985 0 40 HJAB O=C(CCCn1c(=O)oc2ccccc21)N1CCc2sccc2[C@H]1c1cccs1 25063419 FRSUHEMFNMVBAF-NRFANRHFSA-N 424.547 4.672 0 40 HJAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1cc(F)ccc1F 32578553 KQSVEDDIRGEMJX-UHFFFAOYSA-N 407.376 4.699 0 40 HJAB CCc1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1 33141795 PAMHXQRSEMXCEQ-UHFFFAOYSA-N 414.552 4.696 0 40 HJAB CC(C)c1nc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccco3)ccc2o1 33216461 GIWNCBRJVDTJTB-LJQANCHMSA-N 417.465 4.524 0 40 HJAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(F)c(F)c1F 35685003 UKMBBSQRNAKXAT-AWEZNQCLSA-N 418.350 4.586 0 40 HJAB O=C(NCCCc1ccccc1Cl)C1CCN(Cc2ccccc2Cl)CC1 39763750 TXKIHKBRCSRLAQ-UHFFFAOYSA-N 405.369 4.954 0 40 HJAB FC(F)(F)c1ccc(-c2noc(CN3CCC(OCc4ccccc4)CC3)n2)cc1 40040769 LPTZVIXRQQWAIM-UHFFFAOYSA-N 417.431 4.937 0 40 HJAB O=C(CSCc1csc(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)OCO2 40067203 RSLXBGMQJHRIOC-UHFFFAOYSA-N 402.472 4.550 0 40 HJAB Cc1nc(-c2ccc(Cl)cc2Cl)sc1C(=O)NCCCCCC(=O)O 40284949 LJMXFEKQKDULJI-UHFFFAOYSA-N 401.315 4.800 0 40 HJAB CC(=O)N[C@H](CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 45767926 RUOYVROGPDHYGU-UXHICEINSA-N 405.325 4.924 0 40 HJAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 69188401 KWQPWQNQJQFZAO-XIKOKIGWSA-N 411.304 4.764 0 40 HJAB CCc1nnc(Nc2cccc(C3CCN(Cc4cccc(OC)c4)CC3)n2)s1 72376141 OPEBDBZKIZWUNS-UHFFFAOYSA-N 409.559 4.627 0 40 HJAB COc1ccc(-c2nc(CC(=O)Nc3cccc4c3ccn4C)cs2)cc1OC 72400565 VQSBOCXULZYYLJ-UHFFFAOYSA-N 407.495 4.500 0 40 HJAB O=C(OCc1ccccc1)N1CCC2(CC1)CNc1cccc(Br)c12 79033759 HDOGWWUPVQLVCT-UHFFFAOYSA-N 401.304 4.545 0 40 HJAB COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc2c1OCO2 85412191 IDVRIMZEXLIAIE-LJQANCHMSA-N 415.515 4.695 0 40 HJAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N(Cc1ccoc1)Cc1cccs1 90612223 PKTRZPUFDUELJH-UHFFFAOYSA-N 415.458 4.892 0 40 HJAB COc1cc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2cccnc2)ccc1OC1CCCC1 100148640 NGHSONWJJVQOSQ-FGZHOGPDSA-N 422.569 4.531 0 40 HJAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c(Cl)c1 216448374 KFSORHJJSGQTBE-UHFFFAOYSA-N 422.717 4.765 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 222858425 MESIFPXFJQGCLM-QHCPKHFHSA-N 406.526 4.797 0 40 HJAB Cc1cc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc(C)c1Br 223205178 YJQZOIGPFBQCKO-OAHLLOKOSA-N 402.332 4.811 0 40 HJAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1Cl 223826755 CZCQEEBTYMJBTA-UHFFFAOYSA-N 417.870 4.720 0 40 HJAB CCCC[C@H](CC)CNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 224100804 IATCYDBMKUJXDC-IBGZPJMESA-N 408.608 4.506 0 40 HJAB CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1 224152078 IVNYSFJSIWLFEO-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 224180047 YUWNFTBNFRHMJU-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 224223854 IYCOMWXAICJKML-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 225281799 FMFLJZWQUOZFIV-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB Cc1ccccc1CN(C(=O)COc1ccccc1C(C)(C)C)[C@@H](C)C(=O)NC(C)C 225495101 CFVFHDNIIGINJP-FQEVSTJZSA-N 424.585 4.613 0 40 HJAB O=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1ccccc1Br 390826890 QPJVQHZJWHYMLF-HNNXBMFYSA-N 414.371 4.640 0 40 HJAB CC(C)(C)SC[C@H]1CCCCN1C(=O)[C@H]1CCCN1c1nc2ccccc2o1 390829060 CONGLJXIRUOSQB-SJLPKXTDSA-N 401.576 4.709 0 40 HJAB O=C(C(c1ccccc1)c1ccccc1)N1CCC(N2CCc3ccccc3C2)CC1 408613027 WLXKKTAGZKQNFI-UHFFFAOYSA-N 410.561 4.868 0 40 HJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408680879 SIDULRPEUIXARA-JOCHJYFZSA-N 420.484 4.594 0 40 HJAB CCc1ccc(N(CC(=O)Nc2ccccc2CC)S(=O)(=O)c2ccccc2)cc1 409023145 PHYFRNMVYPSTIZ-UHFFFAOYSA-N 422.550 4.645 0 40 HJAB CCN1CCN(c2cccc(NC(=O)N3[C@H]4CC[C@@H]3C[C@H](c3ccccc3)C4)c2)CC1 669985084 QMBAOYJSOLWICB-GCARBXITSA-N 418.585 4.771 0 40 HJAB CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)[C@H]1Oc1ccccc1 1219574382 UYIKMFBKKKQWIE-KZNAEPCWSA-N 412.383 4.591 0 40 HJAB Cc1nc(SCC(=O)Nc2nc(C)c(C)s2)c2c3c(sc2n1)C[C@H](C)CC3 1326252 QMENTNMRWGZECI-SECBINFHSA-N 418.613 4.929 0 40 HJAB COc1ccc(CCNC(=O)C[C@H](c2ccccc2)c2cc(C)ccc2O)cc1OC 2093649 QMCCDCLMXCRIPB-OAQYLSRUSA-N 419.521 4.599 0 40 HJAB biogenic Fc1ccc(Br)cc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 2914756 PDPQORMSNISQHG-HOTGVXAUSA-N 407.674 4.979 0 40 HJAB O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 3297591 SJAGVBIBRZPSMH-HSZRJFAPSA-N 420.436 4.834 0 40 HJAB O=C(CSc1nncn1-c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 3429482 MTXWWTRYOBHGQJ-UHFFFAOYSA-N 412.824 4.670 0 40 HJAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)NC1CCCC1 3506410 APCXSPJJTLZXBG-UHFFFAOYSA-N 404.605 4.587 0 40 HJAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 4194947 FGJISCXMOJMXRL-ZDUSSCGKSA-N 407.297 4.774 0 40 HJAB CCCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1 4816787 LEOMQMKFSSWYCJ-PMACEKPBSA-N 410.905 4.808 0 40 HJAB COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)C(C)C)c2ncnn21 4816962 PWHWRKZQKGDSNU-RTBURBONSA-N 410.905 4.664 0 40 HJAB Cc1ccccc1C(=O)c1c(NC(=O)CN2CCC(C)CC2)sc2c1CCCC2 4847621 CFIQPPJPLOKJRW-UHFFFAOYSA-N 410.583 4.837 0 40 HJAB Cc1ccc(C)c(OCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1 4910815 DRQNGQQOSJTSHA-IBGZPJMESA-N 405.542 4.847 0 40 HJAB C=CCOc1ccc(/C=C2\C(=O)N(c3cccc(SC)c3)C(C)=C2C(=O)OC)cc1 6348264 WZVIKVJMXAKPHS-STZFKDTASA-N 421.518 4.851 0 40 HJAB Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)c4ccccc4C3=O)c2)cc1C 6865832 UJQCSTJBBCXWMD-UHFFFAOYSA-N 411.457 4.784 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1CN(C)CC(=O)Nc1ccccc1Cl 7061842 HGLOLGJLZYJSGW-UHFFFAOYSA-N 403.313 4.558 0 40 HJAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1c2ccccc2Oc2ccccc21 7706181 SFDDUFMVWJSUEC-QGZVFWFLSA-N 410.477 4.725 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3)n2CC)cc1 8086175 FQSXONDLRIVDDC-MRXNPFEDSA-N 410.543 4.731 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)o2)cc1OC 8231738 RWBYIRMEBBBUDP-UHFFFAOYSA-N 413.499 4.608 0 40 HJAB C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)NC(c1ccccc1)c1ccccc1 8340305 QRQNXTHKFOYDBF-GOSISDBHSA-N 402.494 4.554 0 40 HJAB C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)NCc1ccccc1 8750789 JAZBUKSBWQFPGO-MRXNPFEDSA-N 410.543 4.840 0 40 HJAB COc1ccc(C(C)=O)cc1CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 9054606 DEOQKQXQROPCOR-XMMPIXPASA-N 407.897 5.000 0 40 HJAB Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1cccc2ccccc12 9413242 FXZWJMJSKFOYKE-UHFFFAOYSA-N 418.547 4.685 0 40 HJAB Cc1ccc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1Cl 9611289 WUEYMTYCEVBGFE-UHFFFAOYSA-N 403.935 4.668 0 40 HJAB C[C@H]1CCCN(c2nc(Nc3cccc(F)c3)c3cnn(-c4ccccc4)c3n2)C1 9622913 YTZKCTWGFUPFAP-INIZCTEOSA-N 402.477 4.935 0 40 HJAB O=C(Nc1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1)c1cccs1 10819894 CKLLWNHOGMOOIA-UHFFFAOYSA-N 418.518 4.736 0 40 HJAB CCCCc1cc(=O)oc2cc(C)c3c(c12)O[C@H](c1ccc(O)c(OC)c1)CC3=O 12296520 POMHTPFXPZXWPY-SFHVURJKSA-N 408.450 4.865 0 40 HJAB biogenic COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)c1 12463066 AWFUVWBKELHOTE-FQEVSTJZSA-N 411.505 4.922 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)N4C[C@H](C)O[C@H](C)C4)cc3)sc2c1 12692046 LPMKVJILDYTVAH-IXDOHACOSA-N 409.555 4.708 0 40 HJAB CCOC(=O)c1ccoc1CNc1cccc(C(=O)N2CCc3sccc3C2)c1C 12752057 JCMGDUUCSOFBAQ-UHFFFAOYSA-N 424.522 4.637 0 40 HJAB COc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 12891295 UDOJVDYYJWRAHT-ZWKOTPCHSA-N 402.494 4.604 0 40 HJAB C[C@H]1C[C@@H](C)CN(C(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)C1 13011052 JOJPEVHSMWWANQ-BGYRXZFFSA-N 403.526 4.629 0 40 HJAB COc1ccc(/C=C2\SC(=O)N(CNc3cccc(C(F)(F)F)c3)C2=O)cc1 13477007 JUOWQLYRWKPKIH-SXGWCWSVSA-N 408.401 4.820 0 40 HJAB COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)c1 13778007 WMMGYLINIRACHC-PXDATVDWSA-N 416.477 4.955 0 40 HJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)NCCC1=CCCCC1 14084778 BNIZPBYACLTOSF-UHFFFAOYSA-N 406.526 4.667 0 40 HJAB O=C(C[C@@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1cccs1 16524503 PBKZHDQECYTBAE-NRFANRHFSA-N 415.873 4.548 0 40 HJAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)C(c1ccccc1)c1ccccc1 17083038 YMZILMWWYYQOMB-UHFFFAOYSA-N 404.579 4.634 0 40 HJAB COc1cc(C2SCCS2)ccc1OC(=O)COc1ccc(F)cc1Cl 18699250 NQYNVGVDLTYHFJ-UHFFFAOYSA-N 414.907 4.951 0 40 HJAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccccc2)C1 19580149 MJSBETOJTGUPFC-VWLOTQADSA-N 418.562 4.578 0 40 HJAB CNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2ccccc2)CC1 19700448 LSAKVUPPDFMFCN-UHFFFAOYSA-N 412.533 4.565 0 40 HJAB Cc1nccn1CC1CCN(Cc2c(-c3ccc(F)cc3)nc3ccccn23)CC1 19715781 RTSREVNBLUZCMA-UHFFFAOYSA-N 403.505 4.558 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1C 20152124 RSOZCSCZCFOLCB-UHFFFAOYSA-N 414.914 4.836 0 40 HJAB CC(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1 20611472 DBIKYPYPGSGIGS-UHFFFAOYSA-N 403.320 4.661 0 40 HJAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(C)s3)c3ccccc32)c(C)c1 21343591 MNBITYOGTVKYMS-XMMPIXPASA-N 405.519 4.681 0 40 HJAB O=C(Cc1ccc(O[C@@H]2CCCCO2)cc1)c1ccc(O[C@@H]2CCCCO2)cc1O 21982286 OWTDXASPDWYLTG-DNQXCXABSA-N 412.482 4.628 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nc(-c2cccnc2)cs1 28718059 KVVMRHXBTIDGMP-UHFFFAOYSA-N 423.523 4.750 0 40 HJAB CC1=C[C@@H](CNC(=O)NC(C)C)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 30880077 SICLGLNLBXTMLQ-VABKMULXSA-N 413.606 4.597 0 40 HJAB biogenic,in-vitro O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)c1csc2c1CCCC2 31648773 AJCSRTDSFFGOLW-UHFFFAOYSA-N 420.490 4.860 0 40 HJAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)cc1 31722884 KRIQFFYTKFEPCK-UHFFFAOYSA-N 421.584 4.501 0 40 HJAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1C(=O)c1ccc(F)cc1 32754682 WDKHAAJEUKNLAY-UHFFFAOYSA-N 416.452 4.545 0 40 HJAB Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c(C)o1 40152251 JNTWQMJURVNIQI-UHFFFAOYSA-N 403.482 4.553 0 40 HJAB C[C@H](OCCCNc1cnn(-c2ccc(F)cc2F)c(=O)c1Cl)c1ccccc1 59376377 UKGPFIWDWBHCKS-AWEZNQCLSA-N 419.859 4.744 0 40 HJAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(OCCn2cccn2)c1 65607952 OWPTWAFOOCBKOB-IBGZPJMESA-N 404.514 4.795 0 40 HJAB Cc1cccc(NC(=O)CSCC(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)c1 72304729 OKQZBNUPNLEPFC-APWZRJJASA-N 400.544 4.568 0 40 HJAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72350225 HQUQNJZBWPDFNX-GOSISDBHSA-N 409.917 4.956 0 40 HJAB Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2F)cc1 79026681 LIRZXBIYIQSFMP-GFCCVEGCSA-N 402.267 4.573 0 40 HJAB O=C(c1cc(Cl)cc(Cl)c1)c1ccccc1CN1CCC2(CC1)OCCO2 85651611 QEEFAXMSCCRYQO-UHFFFAOYSA-N 406.309 4.563 0 40 HJAB COP(=O)(OC)C1(O)[C@H]2CCC[C@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 101032861 FVURVDZRDOAWTJ-CJLFMRGVSA-N 401.443 4.663 0 40 HJAB Cc1cc2c(cc1C)N(CC(=O)N(C)c1ccccc1)C(=O)CC(c1cccs1)=N2 101947686 BGGOLMQDUHTBNJ-UHFFFAOYSA-N 417.534 4.885 0 40 HJAB Cc1cccc(C)c1Oc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2[C@H]2C[C@H]32)cc1 102093636 VJKRAQBZTSCFHW-JVTHYKSUSA-N 403.478 4.803 0 40 HJAB O=C(O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104254938 NYMAXICBMAYDRR-BTJDVMTISA-N 410.939 4.805 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc4ccccc4c3)n2)cc1 219034884 WOBFADMBDPCRJN-KRWDZBQOSA-N 401.466 4.624 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 222487479 STAGCSSXOXKVCK-OAQYLSRUSA-N 400.950 4.523 0 40 HJAB Cc1cc(OCC(=O)NCCOc2ccccc2C(C)(C)C)ccc1Br 223703850 DTOPKCLSDGKPAG-UHFFFAOYSA-N 420.347 4.629 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 223866043 PJFPZJAQDDVLRC-SFHVURJKSA-N 412.961 4.667 0 40 HJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1 224192061 IHOVMIGNOYYZLG-XZOQPEGZSA-N 411.534 4.753 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1cc2ccccc2o1 224564832 ZTNVWPNQOZKMLN-UHFFFAOYSA-N 410.426 4.625 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225122115 GBYGSXAXPZRAEW-KRWDZBQOSA-N 404.919 4.841 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 225281761 FMFLJZWQUOZFIV-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc4cc5ccccc5nc4s3)c2)n1 226095794 HFTZUQGIFQVYOX-UHFFFAOYSA-N 412.474 4.761 0 40 HJAB O=C(c1ccnc(-c2cncnc2)c1)N1CCC[C@@H](Cc2cccc3cnccc23)CC1 257303118 SFVGNUQSGSBYHS-LJQANCHMSA-N 423.520 4.572 0 40 HJAB O=C(N1CCC2(CC1)CO[C@H](Cc1ccccn1)C2)C1(c2cccc(F)c2)CCCC1 257339830 ZDJXTGFYCLWABY-HSZRJFAPSA-N 422.544 4.673 0 40 HJAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)C2(c3ccc(C)cc3)CCCCC2)nc1 257344719 ZYKDRHVMRABUDW-DEOSSOPVSA-N 419.569 4.592 0 40 HJAB Cc1c(Br)ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1C 408644915 TZZYXZLDEOKRRI-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1 408672686 OPEHGRVWPPNGJW-UHFFFAOYSA-N 424.840 4.551 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)cc1Cl 409182208 JIUCDPYVFVRRIY-LZYBPNLTSA-N 421.305 4.977 0 40 HJAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3cc(Cl)ccc3OC)n2C)cc1 409207570 XVDBXQWLCUYZKK-LNVKXUELSA-N 416.930 4.864 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2C)cc1 409382885 XBBABXMMZKQECN-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CCc1cccc(CC)c1S(=O)(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 605580868 KONVOUKLBAKXIR-ZIAGYGMSSA-N 417.415 4.563 0 40 HJAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCc1cc(-c2ccoc2)cs1 1775972323 XHHAUWRRTQTCHU-UHFFFAOYSA-N 401.431 4.647 0 40 HJAB CCOc1ccccc1-c1ccc2c(c1)CNCCCCCCCN2C(=O)COC 2037931627 ITYDTVQAMDSMDQ-UHFFFAOYSA-N 410.558 4.785 0 40 HJAB Cc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)OC3CCCC3)CC2)oc1C 2056225478 NWJANNJMRJBFKK-FQEVSTJZSA-N 402.535 4.682 0 40 HJAB O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1cccc2ccccc12 692392 HPPQVJMOKYNBMB-UHFFFAOYSA-N 418.408 4.809 0 40 HJAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Br)o1 873642 ICMLWLNSTRQHFV-LBPRGKRZSA-N 418.316 4.927 0 40 HJAB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(O)c2)n1 1274469 JHZRKSCZEMGURD-FQEVSTJZSA-N 418.836 4.605 0 40 HJAB COc1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2-c2ccccc2)c1 1379801 JKUIBXVBMCQMIO-HSZRJFAPSA-N 415.493 4.997 0 40 HJAB CCN(CC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 2550468 FDHZHIFMLCDLGZ-UHFFFAOYSA-N 400.935 4.548 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](C)N(C)C2CCCCC2)sc2c1CC[C@@H](C)C2 3252016 JAENTPXHDYDHRN-HUUCEWRRSA-N 406.592 4.641 0 40 HJAB O=c1[nH]c(SCc2cc(Cl)cc3c2OCOC3)nc2sc3c(c12)CCCC3 3349963 YUHNYBORTHFNSA-UHFFFAOYSA-N 420.943 4.676 0 40 HJAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc(OCc2ccccc2)cc1 3402821 RGIMBYLNLIVNMG-UHFFFAOYSA-N 422.535 4.843 0 40 HJAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H](C(=O)O)[C@@H]([C@@]3(C)CCCC[C@H]3C(=O)O)CC[C@]12C 3850281 BWPVHESSENIYDR-TURKOBMGSA-N 422.562 4.912 0 40 HJAB O=C(Nc1cccc2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 3991806 XZYZEAHZCYTYLN-UHFFFAOYSA-N 402.475 4.893 0 40 HJAB COc1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)cc1 4062803 XAXWXKBSOOOXDQ-KMPHKNMPSA-N 421.537 4.612 0 40 HJAB biogenic O=S(=O)(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc2ccccc2c1 4249145 FPVFGRJPQJCJTO-UHFFFAOYSA-N 407.520 4.610 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(OC)c2)cc1 4715834 MRGNQPRYOOUDBA-WIOPSUGQSA-N 416.477 4.955 0 40 HJAB Cc1sc2ncnc(N3CCN(c4ccccn4)CC3)c2c1-c1ccc(F)cc1 4746988 QYGDHFOIDQZGTP-UHFFFAOYSA-N 405.502 4.527 0 40 HJAB CCC(C)(C)NC(=O)[C@@H](OC(=O)c1cc2sccc2n1C(C)C)c1ccccn1 4924316 AIWKJINXMIFTPD-IBGZPJMESA-N 413.543 4.882 0 40 HJAB COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2ccccc2F)cc1O 5557439 KRHVRFFADHHCOK-UHFFFAOYSA-N 417.440 4.825 0 40 HJAB biogenic Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)c(C)c1 5557764 VVWKKGWFWZKDII-UHFFFAOYSA-N 411.552 4.913 0 40 HJAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1 5584040 DDWVNNRXLDSDJR-QGZVFWFLSA-N 415.864 4.767 0 40 HJAB CCOC(=O)c1ccc(NC(=O)CSc2nccc3sc4c(c23)CCC4)cc1 5691357 SISVOAWDNCRDKV-UHFFFAOYSA-N 412.536 4.693 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccccc1Cl 6056795 ZTARXHLSNIDMKR-SNVBAGLBSA-N 402.661 4.596 0 40 HJAB CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nn12 6605251 PFPWLMRVWLPGHU-UHFFFAOYSA-N 405.527 4.965 0 40 HJAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)N(Cc2ccc(F)cc2)c2ccccc23)cc1 6997161 WZPMCCOSAGOXKC-DEOSSOPVSA-N 418.493 4.614 0 40 HJAB COc1ccc(OC)c(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)c1 7063942 FYFQPEGJUYVDHS-UHFFFAOYSA-N 411.458 4.804 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2cc(Cl)ccc2Cl)c1 7481330 MWZBGSMTCCZDFB-KRWDZBQOSA-N 410.297 4.753 0 40 HJAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CC=C(c2ccccc2)CC1 7987293 VTYAANWQNVVBMX-UHFFFAOYSA-N 406.489 4.864 0 40 HJAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 9156493 ATIDUQRAJSCPIL-OAQYLSRUSA-N 404.466 4.908 0 40 HJAB Fc1ccc(N2CCn3c(SCc4ccc(Br)cc4)nnc32)cc1 9574117 WUFRFXKQGDGHMD-UHFFFAOYSA-N 405.296 4.624 0 40 HJAB C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1cccc(C(F)(F)F)c1 10224563 VECAZTCGBVRDGW-XJKSGUPXSA-N 424.850 4.585 0 40 HJAB O=C(NCCCCOc1ccccc1)c1cc2ccccc2cc1NC(=O)C1CC1 10340695 WCIQVUKKASXYQM-UHFFFAOYSA-N 402.494 4.777 0 40 HJAB COc1cc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)cc(OC)c1 10642213 VDJPHYBINFFWSP-UHFFFAOYSA-N 403.438 4.776 0 40 HJAB O=C(N[C@@H](c1nccs1)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 12408209 RRXVUHBFJQNFRY-PZJWPPBQSA-N 409.530 4.666 0 40 HJAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(-n2cnc3ccccc32)cc1 12548244 MJWMENFOJRXJGX-UHFFFAOYSA-N 415.478 4.708 0 40 HJAB Cc1ccc([C@@H](NCC(=O)Nc2cc3c(cc2Cl)OCO3)c2ccccc2)cc1 12747158 BLLPSCBQGLAYRK-QHCPKHFHSA-N 408.885 4.695 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COc1cc(Cl)ccc1Cl 12852860 YTHZNXRKDZHDGX-UHFFFAOYSA-N 418.324 4.550 0 40 HJAB CN1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)c2nc3ccccc3nc21 13005712 VUWJTXMBYQOSFF-UHFFFAOYSA-N 404.857 4.640 0 40 HJAB C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1CN1CCOC1=S 14200345 CRCPGUJCIPLCNA-YOEHRIQHSA-N 411.958 4.904 0 40 HJAB CN1CC2=C(NC(=S)N[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 17250527 AYJMLJPPLPOZKD-JVVYVMHDSA-N 416.377 4.795 0 40 HJAB Cc1cc(C(=O)COC(=O)Cc2noc3ccccc23)c(C)n1CCc1cccs1 18965783 MOJIRNOHGWBVAQ-UHFFFAOYSA-N 422.506 4.519 0 40 HJAB CC(C)c1cc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)on1 19452814 ZUXHDDQTCAHGED-UHFFFAOYSA-N 406.408 4.713 0 40 HJAB O=C(O)/C(=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(=O)c1ccccc1 19721414 MWPBMZUYUCZXPZ-ZSOIEALJSA-N 403.278 4.580 0 40 HJAB Cc1ccc(-c2cc(=O)c3cc(Br)cc(Br)c(=O)c3o2)cc1 19909815 FRXWLCAHMWYJDE-UHFFFAOYSA-N 422.072 4.654 0 40 HJAB COc1cccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 20492921 CGXVNDGNTPJFMJ-CYBMUJFWSA-N 414.354 4.819 0 40 HJAB COc1ccc(Cc2nc3ccccc3n2C[C@H](O)COc2cccc(C)c2C)cc1 21659924 DGBMNRYCLJLXCY-NRFANRHFSA-N 416.521 4.692 0 40 HJAB CCCn1nnnc1NCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 22109519 QABYDDHGUVWOQU-UHFFFAOYSA-N 422.316 4.590 0 40 HJAB O=C(NC1CC1)[C@H](NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1ccccc1 25692405 QOSGHZVUQZOJMJ-ZGIZZGAYSA-N 408.545 4.893 0 40 HJAB COc1cc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)ccc1OCc1c(C)noc1C 26871933 OPSPJKPDOULDEF-HNNXBMFYSA-N 412.461 4.851 0 40 HJAB COc1cc(C(=O)Nc2ccccc2N2CCc3sccc3C2)cc(OC)c1OC 32915675 VITUAAUDRKKVEK-UHFFFAOYSA-N 424.522 4.589 0 40 HJAB CCc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1 33170756 OFBHKALYCNYJEV-UHFFFAOYSA-N 416.525 4.752 0 40 HJAB O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)NCCC1=CCCCC1 33325966 YCBLZVBBTLPYSD-LJQANCHMSA-N 411.571 4.747 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNCS(=O)(=O)c2ccc(F)cc2)C1(C)C 33434062 KYMABHKBLRJVOF-KNQAVFIVSA-N 414.546 4.766 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)c1 33604499 JJGCDEWEUGEWFQ-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CC(C)c1nc2ccccc2c2nnc(SCC(=O)Nc3ccccc3Cl)n12 35314741 VGBVGJSGGNJLMV-UHFFFAOYSA-N 411.918 4.785 0 40 HJAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)ccc1O 36356834 RQYCOOXFAGCBHZ-AWEZNQCLSA-N 403.360 4.729 0 40 HJAB O=C(NCCCc1ccccc1Cl)C1CCN(Cc2cccc(Cl)c2)CC1 39761019 KIGOCYKEQSSMMP-UHFFFAOYSA-N 405.369 4.954 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2ccccc2C)CC1 44855660 SLSYJSQDVDFIKP-QHCPKHFHSA-N 422.569 4.634 0 40 HJAB Cc1cc(-c2cnc(NC3CCN(Cc4ccccc4)CC3)nc2C(C)(C)C)on1 57761357 ZWBBKXYCMPJFSA-UHFFFAOYSA-N 405.546 4.814 0 40 HJAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 58160193 CEFOJDPDABTMED-IBGZPJMESA-N 416.456 4.686 0 40 HJAB CC1=C2C[C@@H]3[C@@H](CN4CCN(c5cc(C)ccc5C)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 61997593 DLJNJIQKCZUWCF-IZJWWWMRSA-N 422.613 4.884 0 40 HJAB biogenic CCOC(=O)c1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1 64471979 PPJOKHPDBFLHOH-UHFFFAOYSA-N 407.445 4.530 0 40 HJAB CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(OC(F)(F)F)cc3)no2)CC1 71768134 BVYKTROYJDNOIS-UHFFFAOYSA-N 413.396 4.750 0 40 HJAB Cc1ccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)c[nH]c23)cc1F 71769105 BFLCGYJFFXXWNP-UHFFFAOYSA-N 410.449 4.942 0 40 HJAB CN(C)c1cccc(-c2nnc(C3(c4cccc(C(F)(F)F)c4)CCOCC3)o2)c1 71889790 BXPNFIKWUFQZFE-UHFFFAOYSA-N 417.431 4.918 0 40 HJAB Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1NC(=O)[C@@H](C)S(C)(=O)=O 79038428 RVPQRIAMBHMZKH-GFCCVEGCSA-N 416.326 4.774 0 40 HJAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cn4ccccc4=O)cc3)cs2)c(C)c1 84142215 PBKBAGCSYRJCCC-UHFFFAOYSA-N 415.518 4.889 0 40 HJAB CC1CCC(N(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C2CC2)CC1 84689292 YHTMVTWYWKXROF-KGXSXCIVSA-N 402.966 4.762 0 40 HJAB CCO[C@@H](C)c1nc(Cn2nc(-c3ccc(Br)cc3)nc2C)cs1 95401594 GDBUDGOJPDZXKJ-NSHDSACASA-N 407.337 4.618 0 40 HJAB BrC1(Br)CC=c2ccccc2=C1c1cccc2ccccc12 95931590 CBLQKUBGOPJBIP-UHFFFAOYSA-N 414.140 4.709 0 40 HJAB COC(=O)c1sccc1NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C 95948736 SAVWDLJBJCOKNG-UHFFFAOYSA-N 400.403 4.724 0 40 HJAB CC/C(=C\C(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1)c1ccc(C)cc1 96035177 JVLVOXCQIOSZIG-AQRXXJNJSA-N 402.498 4.823 0 40 HJAB CCOc1ccc(CC(=O)N2CCC[C@H]2c2nc(-c3ccccc3Cl)no2)cc1 98212186 LNSCWRMFIXNOMG-IBGZPJMESA-N 411.889 4.695 0 40 HJAB Cc1nnc(S/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)O)o1 211530247 ZIFAWXLBUJMCAK-YVLHZVERSA-N 402.859 4.828 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 219615574 BQXHJPYZIGSDOG-INIZCTEOSA-N 406.269 4.517 0 40 HJAB C[C@@H](NC(=O)c1ccccc1NC(=O)COc1cccc(Cl)c1)c1ccccc1 222766035 LMDFSNXDZOSKGT-MRXNPFEDSA-N 408.885 4.849 0 40 HJAB Cc1ccc(CN(C(=O)CCc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 222777979 CQGAQZOIPBFTFW-SFHVURJKSA-N 414.977 4.913 0 40 HJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 222937742 UZVXWXOTODHQBW-SFTDATJTSA-N 421.522 4.668 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 223043027 QVEQECKTQUDJAL-GOSISDBHSA-N 400.950 4.525 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCOc1cccc2ccccc12 223558737 UFVDCLSQCMYOIN-HNNXBMFYSA-N 414.299 4.565 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1c1ccccc1 224160334 ITZTXFDNNVSTLZ-VXKWHMMOSA-N 400.507 4.702 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 225308895 DFWAVNRGTJSLRR-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@H](C)C(=O)NC(C)C 225492746 KIYFADQTKLSTBW-OAQYLSRUSA-N 408.586 4.993 0 40 HJAB CCOC1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCC(C)CC1 225720332 IMEAFNFHNJZXJU-VIHQBZHPSA-N 402.579 4.864 0 40 HJAB C[C@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NCCCc3ccccc3)n2)C1 225967028 JNPICUFAMPOOJI-IYBDPMFKSA-N 418.010 4.532 0 40 HJAB O=C(CCc1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@H]1CC(Oc1ccncc1)C2 253470980 AJBGOKXCZFHCAV-ROUUACIJSA-N 404.432 4.634 0 40 HJAB CCc1nn2c(nnc3c(=O)n([C@@H]4CCC[C@H](C)[C@H]4C)ccc32)c1-c1ccccc1 253561598 CGVGSAQYWHRPKT-FRQCXROJSA-N 401.514 4.666 0 40 HJAB Cc1c(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccccn4)o3)CC2)oc2ccccc12 257303746 SINDTQNPLOTMDP-QAQDUYKDSA-N 416.481 4.890 0 40 HJAB COc1ccc2oc(-c3cccc(NC(=O)c4ccc5c(c4)OCCO5)c3)nc2c1 408621923 MMCLZGBASFCEAF-UHFFFAOYSA-N 402.406 4.527 0 40 HJAB Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c1 408703888 VCNBAVCYYXZVTA-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl 409020887 VDSXQMGANMFYMX-UDWIEESQSA-N 409.848 4.671 0 40 HJAB CCc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccccc2)cc1 409212926 RUQGRTHWCKEZAA-UHFFFAOYSA-N 406.555 4.601 0 40 HJAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(F)cc2F)C1 585262220 GFDNRZRHYYEVEE-VWPQPMDRSA-N 407.432 4.608 0 40 HJAB Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)/C=C/c3cccnc3)C2)n1 585292763 NRNVFIYGRCXLFM-GLCJEOIMSA-N 413.525 4.651 0 40 HJAB COc1cc2cc(C(=O)NCCc3cn(C(C)C)c4ccccc34)[nH]c2cc1OC 604418862 NEYLENMHQYXRQP-UHFFFAOYSA-N 405.498 4.693 0 40 HJAB O=Cc1cn(CC(=O)NCC2(c3ccccc3)CCCCCC2)nc1-c1ccccc1 1136583084 HSXUUXJYAPCLBN-UHFFFAOYSA-N 415.537 4.771 0 40 HJAB CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1C 886982 SUUBJXGRBLNKML-KRWDZBQOSA-N 409.559 4.646 0 40 HJAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(C)ccc1C 907666 UWOXAXARGSJLTM-UHFFFAOYSA-N 409.559 4.566 0 40 HJAB CCOC(=O)COc1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1Cl 1392316 NVXYKDOOFMSDJW-UHFFFAOYSA-N 402.661 4.841 0 40 HJAB O=C(CCCSc1nc2ccccc2s1)Nc1ccccc1N1CCOCC1 2625126 CZILEDDMNSYCOU-UHFFFAOYSA-N 413.568 4.644 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 2656897 PYESLBSGSKZUEA-UHFFFAOYSA-N 408.523 4.636 0 40 HJAB COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1 2970932 OPOHCTHAFLTDIQ-UHFFFAOYSA-N 423.538 4.641 0 40 HJAB CCCCCCOC[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 4027986 OXLUIJSXMUVGQM-CDJZJNNCSA-N 424.578 4.828 0 40 HJAB biogenic C[C@@H]1CCCCN1C(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 5040005 BXXFKIXBUVQSHA-CYBMUJFWSA-N 401.532 4.991 0 40 HJAB CCOc1cccc2sc(N(Cc3cccnc3)C(=O)Cc3ccccc3)nc12 5142163 NYORNANSFYINPM-UHFFFAOYSA-N 403.507 4.866 0 40 HJAB COC(=O)N1CCc2c(sc(NC(=O)C(C)C)c2-c2nc3ccccc3s2)C1 5255487 WWFDDYXYZVKLBK-UHFFFAOYSA-N 415.540 4.744 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 7654423 ZBJLWAQPJWIFTC-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB COc1ccc(-c2cc(NC(=O)c3cccc(N4CCCC4=O)c3)ccc2OC)cc1 8241642 HDQJYUJAMZRDKU-UHFFFAOYSA-N 416.477 4.750 0 40 HJAB O=C(CSc1nncn1-c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 9562320 HUGUHHYFPNEOFN-UHFFFAOYSA-N 412.824 4.670 0 40 HJAB O=C(NCc1nc2ccccc2n1CCCOc1ccccc1Cl)c1ccco1 11667218 XZEDWHMMLISMFN-UHFFFAOYSA-N 409.873 4.682 0 40 HJAB Cc1ccnc(SCc2nc3cc(NC(=O)c4ccccc4Cl)ccc3n2C)n1 12323631 MYISZZQRPRHCMK-UHFFFAOYSA-N 423.929 4.870 0 40 HJAB CCCc1noc([C@@H](C)Sc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)n1 12522249 RIAPGIDGQVDCTE-CYBMUJFWSA-N 418.954 4.710 0 40 HJAB O=c1[nH]c(CSc2nnc(C3CC3)o2)nc2scc(-c3ccccc3Cl)c12 12812332 UVJUEIMDTRBCSY-UHFFFAOYSA-N 416.915 4.858 0 40 HJAB CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]2ON1c1ccccc1 13757852 ZWVOJGSNYJKDCJ-AWDZXFJFSA-N 406.526 4.890 0 40 HJAB COc1cc(C(=O)N(Cc2ccccc2F)C2CC2)ccc1OCc1c(C)noc1C 14188970 RPCNZBXXAYHBFB-UHFFFAOYSA-N 424.472 4.823 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2-n2cccc2)c(C)c1 15882518 ZLSMFSPZPGMCKK-UHFFFAOYSA-N 423.567 4.776 0 40 HJAB Cc1nc2nc(NCc3c(Cl)cccc3Cl)nn2c(O)c1Cc1ccccc1 16956938 RFSHHPILLCFAPT-UHFFFAOYSA-N 414.296 4.648 0 40 HJAB Cc1cc(C)c(O)c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 17087383 SBMXOPSNNFBTHP-UHFFFAOYSA-N 406.507 4.715 0 40 HJAB Cc1nc(CC2CCN(C(=O)[C@@H]3CC34CCC4)CC2)cc(NCc2ccccc2F)n1 19758915 SUJKQLNVUWDRCY-NRFANRHFSA-N 422.548 4.508 0 40 HJAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 20106481 KWIGNAVQCDPFMO-OAHLLOKOSA-N 409.869 4.986 0 40 HJAB CCCC(=O)NC(=S)Nc1cccc2c(Cl)c(C(=O)NC(C)(C)C)sc12 21596014 RYVBKBACNRNYEH-UHFFFAOYSA-N 411.980 4.696 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccc1OC[C@H]1CCCO1 22192268 FDNVFNSRBAVUMI-QGZVFWFLSA-N 422.506 4.555 0 40 HJAB CNC(=O)c1cccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)c1 24039462 CXDBZDVFZSNZDP-UHFFFAOYSA-N 403.507 4.678 0 40 HJAB CCc1ccc(CN(C(=O)c2cc(=O)c3cc(F)ccc3o2)c2ccccn2)cc1 27989074 MFLBAOYPUFHFKR-UHFFFAOYSA-N 402.425 4.737 0 40 HJAB COc1ccc(C)cc1[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 29332597 CWOOGNYKYOGEAX-MGPUTAFESA-N 412.921 4.540 0 40 HJAB C[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 32622307 DUWXTKUGIGGZJI-OAHLLOKOSA-N 403.413 4.949 0 40 HJAB Cc1ccc(CSCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 39753344 QTFSDUZYHNZNOI-UHFFFAOYSA-N 417.018 4.910 0 40 HJAB Cc1ccc(-c2nc(-c3nnc(-c4ccc(C)cc4)s3)c(N3CCOCC3)o2)cc1 41154370 HRJQIYDZFXCDES-UHFFFAOYSA-N 418.522 4.981 0 40 HJAB C[C@H](OC(=O)c1[nH]c2ccccc2c1Cl)C(=O)N1CCC[C@H]1c1cccs1 46350952 YHPTVFCYGXTORX-WFASDCNBSA-N 402.903 4.792 0 40 HJAB COc1cc(OC)c(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1OC 58213081 GWBDCELMZZYBSM-UHFFFAOYSA-N 403.438 4.508 0 40 HJAB CCOC(=O)c1cccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c1 64471910 DSMPHBIHZDPTCW-UHFFFAOYSA-N 421.472 4.920 0 40 HJAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4ccccc4)c(C)c3s2)n1 72228772 RVEGWDNMFBCLSU-UHFFFAOYSA-N 406.511 4.733 0 40 HJAB COc1cc(C)ccc1CN1CCC[C@H]1c1cccc(Nc2nc(C)cc(C)n2)n1 72375726 MCYLFNPWGDUKGD-NRFANRHFSA-N 403.530 4.886 0 40 HJAB Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc(Cl)c4)[C@H]3C2=O)c1 102736840 GVADMOBWKCUKNK-YPAWHYETSA-N 418.880 4.700 0 40 HJAB COc1ccc([C@@H]2CC3=Nc4nonc4N[C@H](c4ccccc4OC)C3=C(O)C2)cc1 102738158 NLIBSMCBAQQREL-SPLOXXLWSA-N 418.453 4.716 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)Nc4cc(Cl)ccc4C)cc3)C(=O)[C@H]12 206659794 XXTXWODEIYNUCR-MTOHEIAKSA-N 420.896 4.602 0 40 HJAB C[C@@](O)(CNC(=O)c1cc(Br)cs1)c1ccc(-c2ccccc2)cc1 206702773 IRGJMMHSNVILPK-HXUWFJFHSA-N 416.340 4.815 0 40 HJAB COc1ccc(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1OC 216451028 HFIYXMDMJNEKGG-UHFFFAOYSA-N 411.885 4.866 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1Cc1ccccc1 222826339 NENWEYNQHCHQKK-PKTZIBPZSA-N 404.583 4.929 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1OC 222955838 GZVBATAPPHAQDA-YADHBBJMSA-N 406.555 4.654 0 40 HJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 222974946 BLUIHSFLUUHWQM-SFHVURJKSA-N 413.905 4.823 0 40 HJAB Cc1cccc(CSCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 223753568 YMDFKAWURGCYJA-HXUWFJFHSA-N 424.610 4.704 0 40 HJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)c1 224224652 IYYCXVZRURDBMN-PKTZIBPZSA-N 411.534 4.753 0 40 HJAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1CSc1ccc(Cl)cc1 224671237 LWWSZLSXVIORIE-GOSISDBHSA-N 405.947 4.940 0 40 HJAB CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225109254 KHXPUZADMWAETE-UHFFFAOYSA-N 415.486 4.629 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 225131456 CZJWLDLZQVIYSY-ZWKOTPCHSA-N 400.950 4.523 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 225188634 ZOCIZZDSFNMJIF-DEOSSOPVSA-N 408.586 4.824 0 40 HJAB CC(C)[C@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 225206653 HLHCXDARBWAKLE-OYHNWAKOSA-N 416.974 4.889 0 40 HJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)c1 225500074 ZWYFBPKIGWAJQR-FQEVSTJZSA-N 400.544 4.946 0 40 HJAB Cc1cccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 225581687 DDYQOSKDWHFEMR-UHFFFAOYSA-N 402.941 4.749 0 40 HJAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C(C)(C)C)CC1 257288823 PVVZTOZPDMSQJU-UHFFFAOYSA-N 420.597 4.996 0 40 HJAB C[C@@]1(NC(=O)CCO)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(Cl)c2O)C1 257310056 UDNALBRPFLAARK-WAOWUJCRSA-N 424.324 4.549 0 40 HJAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(OC)cc3)nc2-c2ccccc2)cc1 408694634 LBMHRTSOYBQTCG-UHFFFAOYSA-N 414.465 4.594 0 40 HJAB Cc1ccc(C)c(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)c1 409176704 VPLPDHYKHWIZPR-UHFFFAOYSA-N 411.841 4.825 0 40 HJAB COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c(Cl)c1Cl 409177634 HDGJWIGONBEAIA-UHFFFAOYSA-N 415.125 4.787 0 40 HJAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CCCN(C(=O)/C=C/c3ccco3)C2)n1 585291999 IDFLLJCMDFZBRI-CSHXORCISA-N 417.513 4.553 0 40 HJAB O=C(NC1CCCC1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 865904 YQTDTAZXRUYQOV-CMPLNLGQSA-N 418.872 4.931 0 40 HJAB Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 1006546 KZKMKZFAZJVZFL-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1cc(=O)oc2c(C)c(OC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 2092055 HEFISVMZNSPVPE-HXUWFJFHSA-N 423.465 4.581 0 40 HJAB biogenic CCCCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC 2109786 OGLZRSRKWCTZHY-BOMYWPOKSA-N 420.553 4.901 0 40 HJAB biogenic COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1 2250175 IRJGTLBCRVKZEP-JWQCQUIFSA-N 422.488 4.808 0 40 HJAB CC[C@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(F)cc1 2706384 BWLJULQKPXUEKR-AWEZNQCLSA-N 403.552 4.996 0 40 HJAB CCCCCC[C@@H](NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 4092784 ZQGDYINMIMYNCY-NRFANRHFSA-N 403.544 4.992 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 4601941 IIMCFJFKLZURLN-UHFFFAOYSA-N 402.494 4.916 0 40 HJAB Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccccc2)cc1C 4835599 HUGVXPBMAHGDME-UHFFFAOYSA-N 406.555 4.656 0 40 HJAB Cc1cc(C)c2nc3s/c(=C\c4ccc(-c5ccc(F)cc5F)o4)c(=O)n3c2c1 4891294 NTMWKNWUISJJBX-GRSHGNNSSA-N 408.429 4.612 0 40 HJAB COc1ccccc1-n1cnnc1S[C@@H](C(=O)c1ccccc1)c1ccccc1 4894835 KSWHQDGEHVEZDF-JOCHJYFZSA-N 401.491 4.992 0 40 HJAB COc1ccc(-c2nc3c(c(SCCN4CCCCC4)n2)COC(C)(C)C3)cc1 5267498 CQKSFCHWSCCWNQ-UHFFFAOYSA-N 413.587 4.582 0 40 HJAB CC(C)c1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1 5305004 ZSEAXAWWJCHJJG-UHFFFAOYSA-N 415.468 4.960 0 40 HJAB Cc1sc2nc(C(C)C)n3c(SCC(=O)NC4CCCCC4)nnc3c2c1C 6232977 NFCLZQXTVTWRTM-UHFFFAOYSA-N 417.604 4.620 0 40 HJAB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C(C)(C)C)cc3n2)cc1 6264769 KXEQDZYFKVJTAA-UHFFFAOYSA-N 423.586 4.931 0 40 HJAB COc1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)cc1 6642424 XAXWXKBSOOOXDQ-PKDKOUGUSA-N 421.537 4.612 0 40 HJAB biogenic N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O 6971820 MXEQPCSTYVOEQI-RGVLZGJSSA-N 407.470 4.534 0 40 HJAB Cc1ccc(CN(C)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(C)c1 7763808 YRDWLFWYXOXDGF-UHFFFAOYSA-N 412.584 4.709 0 40 HJAB C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NC[C@H]1CCCO1 8133065 CNANDYCGCCJFMQ-QFBILLFUSA-N 407.539 4.520 0 40 HJAB CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(OC)c2)c1OC 8720649 AUYJQNRBBYBLGY-HSZRJFAPSA-N 404.466 4.874 0 40 HJAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN(c1ccc(F)cc1)C3 8765523 UHFRYPJGPUQJLO-UHFFFAOYSA-N 403.409 4.964 0 40 HJAB biogenic COc1ccc(-c2nc3cc(NC(=O)COc4ccccc4F)ccc3o2)cc1OC 8903970 OMZRTKSSROUIPE-UHFFFAOYSA-N 422.412 4.669 0 40 HJAB Cc1nc(-c2cccc(NC(=O)CSc3nc4cc(Cl)cnc4[nH]3)c2)cs1 9350357 WGUXPCZZFNFJRT-UHFFFAOYSA-N 415.931 4.774 0 40 HJAB Brc1ccccc1-c1nnc2sc(-c3ccc4ccccc4n3)nn12 9575828 SVTRYSXSMJDOHV-UHFFFAOYSA-N 408.284 4.831 0 40 HJAB O=C(COc1ccc(-c2ccccc2)cc1Cl)c1c[nH]c(C(=O)N2CCCC2)c1 9995983 GBUMLJONEIMJDY-UHFFFAOYSA-N 408.885 4.833 0 40 HJAB COc1ccc(C(=O)N2c3ncnn3[C@H](c3ccc(C)cc3)C[C@@H]2c2ccccc2)cc1 10060303 ZIFDXUHKYVVKFM-RPWUZVMVSA-N 424.504 4.976 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 11094166 VLARLPYJLMHPJI-BTYIYWSLSA-N 402.922 4.734 0 40 HJAB CCOc1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)ccc1O 12736452 OGQBSOBFAVRPBB-ZROIWOOFSA-N 419.865 4.771 0 40 HJAB Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)sc2c1 12741540 UDHUZHRUKDCUHR-UHFFFAOYSA-N 423.519 4.658 0 40 HJAB O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCCC[C@H]1c1nc2ccccc2s1 12854167 FAKMLIICWLGJKJ-CKDFRHGISA-N 406.507 4.835 0 40 HJAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)c1 12993473 SYZNWIYOUODVKI-ZDUSSCGKSA-N 401.532 4.570 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 13141287 UKTYHSBITJZGAP-QHCPKHFHSA-N 423.919 4.981 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)cc1 16844922 IGHSFDBBFALXOF-UHFFFAOYSA-N 421.547 4.701 0 40 HJAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)c1 17088773 WQJGJONJIYIHQC-UHFFFAOYSA-N 411.296 4.502 0 40 HJAB CCN(CC)CCNc1nc(Nc2ccccc2C)c2cnn(-c3ccccc3)c2n1 17287702 HINXPXVHHTWRQH-UHFFFAOYSA-N 415.545 4.621 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1cnc(C(C)C)nc1)CC2 19454112 GUQVJHXLNYGNNZ-DEOSSOPVSA-N 403.526 4.765 0 40 HJAB COc1cc(C)c(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1C 19567270 RCEHUROTKZUMJL-DEOSSOPVSA-N 423.601 4.823 0 40 HJAB CN(C)[C@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccco1 22381634 BRYSAOUPWXDNEP-MRXNPFEDSA-N 422.312 4.593 0 40 HJAB CCN(C(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C)c1nc2ccccc2s1 25064087 LXPCPKCDGFCMLQ-UHFFFAOYSA-N 417.494 4.813 0 40 HJAB C[C@H](C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)n1cccn1 28279477 FFXXXRODNQKTFA-CYBMUJFWSA-N 402.317 4.997 0 40 HJAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 32988925 DTYSSMCNKZHZNU-HSZRJFAPSA-N 404.535 4.926 0 40 HJAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)COc1ccc(Br)cc1 34965906 ODDXXTXQSYQBTF-CYBMUJFWSA-N 421.360 4.855 0 40 HJAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1cc(-c2ccccc2)on1 38677980 ATJQUAXYYSTQSK-UHFFFAOYSA-N 415.474 4.858 0 40 HJAB COc1cc(NC(=O)c2ccc(C)cc2C)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC 40087642 IZUYFAFIVPFMMX-ROUUACIJSA-N 424.541 4.976 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)Cc2cccc(Cl)c2)cc1 40113077 NBWXHCTXRUUQPN-HNNXBMFYSA-N 414.962 4.707 0 40 HJAB O=C(NCc1cccc(NC(=O)C2CC2)c1)Nc1ccccc1N1CCCCCC1 57897300 HJDSJUCXJHFSMW-UHFFFAOYSA-N 406.530 4.737 0 40 HJAB O=C(c1cnc(NCc2sccc2Br)c(Cl)c1)N1CCCCC1 58555316 HHKLBTWZXRSVGV-UHFFFAOYSA-N 414.756 4.797 0 40 HJAB O=C(Nc1cccc(NC(=O)c2ccc3nsnc3c2)c1)c1cccc(Cl)c1 59294614 LPTMHDUKDKRSDB-UHFFFAOYSA-N 408.870 4.849 0 40 HJAB Cn1ccc2cc(C(=O)N3CCc4[nH]c5c(Br)cccc5c4C3)ccc21 70666570 UEMGLIFSVAKYDT-UHFFFAOYSA-N 408.299 4.621 0 40 HJAB biogenic CS(=O)(=O)c1ccccc1NCc1cn(Cc2ccccc2)nc1-c1ccccc1 72235818 ZCQLTPIANAHRPS-UHFFFAOYSA-N 417.534 4.614 0 40 HJAB Cn1cc(CN2CCC(c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)CC2)cn1 72349991 GKGQVAYNNBCJFC-UHFFFAOYSA-N 414.475 4.804 0 40 HJAB C[C@@H]1CN(c2ccc(CNc3nc4cc(C(F)(F)F)ccc4s3)cn2)C[C@@H](C)O1 78904417 ADTQSGNYHWPWKI-CHWSQXEVSA-N 422.476 4.936 0 40 HJAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)Nc1ccccc1C(F)(F)F 89662597 NHYAWKMYZAUJAK-ZDUSSCGKSA-N 401.429 4.617 0 40 HJAB CC(C)CNC(=O)C[C@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 96053511 KMFULCUSOCOWDQ-FQEVSTJZSA-N 412.599 4.811 0 40 HJAB COC(=O)C[C@@H](c1ccsc1)c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 96115080 CCQKIALDOBRBLY-KRWDZBQOSA-N 422.458 4.628 0 40 HJAB biogenic O=C(Nc1ccccc1)c1nnc(/C(Cl)=C\c2cc(Cl)c3c(c2)OCO3)s1 96947727 GVULMOUSUGZYDD-NTUHNPAUSA-N 420.277 4.909 0 40 HJAB CCc1ccc(OCC(=O)NCCCc2ccc(Cl)cc2)c(Br)c1 218863972 PRNVOIFXGCAOCM-UHFFFAOYSA-N 410.739 4.793 0 40 HJAB Cc1ccc(N2CCC(C(=O)N(C)Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 219866790 YHEKQDGGNMWEHA-UHFFFAOYSA-N 424.932 4.573 0 40 HJAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 223408705 MOVNULQONDJVMD-RBUKOAKNSA-N 415.971 4.978 0 40 HJAB CCCC[C@@H](CC)CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 224075052 YHKKTHAGJRXZAS-GOSISDBHSA-N 402.560 4.742 0 40 HJAB Cc1cc(C(=O)Nc2cccc(Cl)c2)ccc1N(C)S(=O)(=O)c1ccccc1 224189308 GXOKSVLVSQDYJU-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 224244401 NJUYTNVHCDOEIX-QGZVFWFLSA-N 418.990 4.622 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1cccc(C)c1 224386068 ICUGESFCFMPBPK-UHFFFAOYSA-N 405.450 4.954 0 40 HJAB Cc1ccc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)cc1 224702283 YAZNRQLWXYUJTJ-NRFANRHFSA-N 422.569 4.548 0 40 HJAB O=C(Cc1cccc(Br)c1)Nc1ccccc1C(=O)NC1CCCCC1 225614714 OVVUKWJAQVQSNH-UHFFFAOYSA-N 415.331 4.693 0 40 HJAB FC(F)(F)c1cccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)c1 225832739 LXVPNIWVOVPZCI-UHFFFAOYSA-N 412.824 4.895 0 40 HJAB Cc1cc(Br)cc(C)c1NC(=O)c1cc(N)ccc1N1CCCCC1 226324361 ANPHRXNVLXZIIR-UHFFFAOYSA-N 402.336 4.891 0 40 HJAB CCOc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)CC(C)C)ccc1O 257241132 HWRQMBMEFJKUFX-VJNJQGDRSA-N 415.574 4.836 0 40 HJAB COc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)c1 408700132 YZPCBGBLZBQUEB-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB Cc1ccc(NC(=O)Cc2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 409343897 DSLTZOOBCOCUCP-UHFFFAOYSA-N 421.353 4.904 0 40 HJAB Cc1cc(C(=O)NCc2cccc3c2OCCCO3)c(C)n1[C@@H](C)c1ccccc1 1150101971 WRVWRKAQZMMGHU-SFHVURJKSA-N 404.510 4.806 0 40 HJAB C[C@H]1CCc2c(sc3ncn4c(SCC(=O)c5ccc(F)cc5)nnc4c23)C1 929593 XYSGUTVLXDXROD-NSHDSACASA-N 412.515 4.578 0 40 HJAB CCOc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc3ccccc23)cc1 1207798 LKPTYTDGCNXEMY-JOCHJYFZSA-N 401.466 4.505 0 40 HJAB CCCCCCn1c(N)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 2371102 VHXDHUPYYZNIIW-UHFFFAOYSA-N 422.554 4.888 0 40 HJAB CCSc1nnc2c(n1)O[C@H](c1ccc(Br)s1)Nc1ccccc1-2 2740706 DGCHTWFIBQRIQL-CQSZACIVSA-N 421.345 4.978 0 40 HJAB O=C(O)c1sccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 3997518 UZXZVDWVZHXFFU-UHFFFAOYSA-N 409.872 4.693 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4Cc5c(c(C)nn5C(C)=O)[C@@]4(C)CC[C@H]32)C1 4023874 LFSRWPRCKLPVBQ-IPGAFUANSA-N 410.558 4.760 0 40 HJAB COc1ccccc1-c1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)no1 4034804 TYBBHDPTXSRXQF-UHFFFAOYSA-N 422.872 4.809 0 40 HJAB aggregator C[C@@H](Sc1nnc(COc2ccc3ccccc3c2)n1C)C(=O)Nc1ccccc1 4130198 GSKRKQTYUCDSIS-MRXNPFEDSA-N 418.522 4.667 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1c[nH]c2ccccc12 4138548 QWJMKHLONCDDCW-UHFFFAOYSA-N 411.918 4.831 0 40 HJAB COc1ccc(CCC(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)cc1 4305551 VCNLBNLWYJZMRZ-QFIPXVFZSA-N 406.551 4.610 0 40 HJAB CNC1(c2nnnn2C(c2ccccc2)c2ccccc2)CCC(C(C)(C)C)CC1 4550225 CPYNDAWLRVXTNJ-UHFFFAOYSA-N 403.574 4.962 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)OCCOc2ccccc2Cl)cc1 4596686 DAQOPYLRDQXMKY-UHFFFAOYSA-N 401.846 4.760 0 40 HJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2OC)n2c(nc3ccccc32)N1 4737142 XRQQGEFNIUFGOG-QFIPXVFZSA-N 421.497 4.686 0 40 HJAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 5101196 SFVLIEZTBJKXKQ-IOWHJBRQSA-N 411.310 4.802 0 40 HJAB Cc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2c(-c4cccs4)ccc(=O)n2C3)cc1 5437648 MWKQFEZYLBYUJU-DLBZAZTESA-N 405.523 4.536 0 40 HJAB biogenic,in-vitro CCc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1 6066727 WOOPLJBAANHQEU-QFBILLFUSA-N 422.550 4.501 0 40 HJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@@H]1c1ccc([N+](=O)[O-])cc1 6570059 MLNRXWJHGOUTRE-LJQANCHMSA-N 411.483 4.712 0 40 HJAB COc1ccc(OC)c(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)c1 6623879 CYIQYCVWJGAGCP-UHFFFAOYSA-N 421.449 4.745 0 40 HJAB biogenic Cc1c(CCC(=O)Nc2ccccn2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 6719186 FKHCPSSYZBRQTE-UHFFFAOYSA-N 402.450 4.693 0 40 HJAB CC1CCN(Cc2csc(NC(=O)/C=C/c3ccc(OC(F)F)cc3)n2)CC1 6881912 QZVFGVGPPDPRDX-QPJJXVBHSA-N 407.486 4.628 0 40 HJAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 7941420 WHEHOCKTOFLHAC-UHFFFAOYSA-N 423.557 4.950 0 40 HJAB Cc1ccc(C)c(OCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)c1 7976180 SZBLSLARQKKCFW-UHFFFAOYSA-N 411.889 4.577 0 40 HJAB CCCOc1ccccc1OCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8103350 UFVVUKAGJOLZTR-QGZVFWFLSA-N 410.539 4.870 0 40 HJAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)cc1Cl 8310367 UGPGYMCPULLOHG-GOSISDBHSA-N 421.324 4.930 0 40 HJAB CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2snnc2CC)cc1 9134322 RHKPNZBKUDGPMZ-UHFFFAOYSA-N 421.478 4.729 0 40 HJAB COc1cccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3ccccn23)c1 9316550 MPFQCMLKAOCXMC-UHFFFAOYSA-N 413.477 4.630 0 40 HJAB Cc1cc2c(cc1C)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4ccccc4c3)CC1)O2 12293600 IVUFUDXYAVTLJF-RPBOFIJWSA-N 417.549 4.841 0 40 HJAB COc1cccc([C@@H]2CCCN2C(=O)COc2cccc(Oc3ccccn3)c2)c1 12544961 ZDUXJYBVCRRTMU-QFIPXVFZSA-N 404.466 4.625 0 40 HJAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1 12631091 URAJLMXKQAKYCG-SMEDBKPVSA-N 424.522 4.847 0 40 HJAB COc1cc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc(Cl)c1OC 12754108 SPGHNITXKRYVAE-UHFFFAOYSA-N 417.918 4.819 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2ccc(Br)cc2)c1 12761045 ZPWRWNVCWSOMHR-LKQLOZHYSA-N 416.315 4.843 0 40 HJAB Cc1cc(C)cc(C(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)c1 13009810 URYKBIUZJUHHCQ-UHFFFAOYSA-N 412.497 4.892 0 40 HJAB COc1ccc([C@H]2SCC(O)=Nc3c2c(C)nn3[C@@H]2CCOC(C)(C)C2)cc1 13123345 WFSCFDJYVYIFDV-DNVCBOLYSA-N 401.532 4.754 0 40 HJAB O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CCCN(Cc2ccccn2)CC1 15062718 UMBHYSZTGSWGLI-UHFFFAOYSA-N 418.541 4.619 0 40 HJAB O=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)Nc1nccs1 15778813 CODARFMKSKHETL-UHFFFAOYSA-N 417.519 4.737 0 40 HJAB CCOC(=O)/C=C/c1ccc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 16304186 MVMWVTZDTZDYHP-NTCAYCPXSA-N 417.509 4.685 0 40 HJAB CCCCn1c(SCc2nc(-c3ccc(C)cc3)no2)nc2ccsc2c1=O 16843273 LZGBCVNPLKWNKR-UHFFFAOYSA-N 412.540 4.909 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1C 17053160 BJOQPOIDWFQXNW-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB COc1cccc(CN2CCC([C@@H](NC(=O)CC3CCCC3)c3ccccn3)CC2)c1 19564839 BKWCKBGCVMUCTN-AREMUKBSSA-N 421.585 4.740 0 40 HJAB COc1ccc2c(c1)OC1(CCN(C(=O)c3oc4ccc(F)cc4c3C)CC1)CC2=O 19565590 NBRSSGLRXDRRCE-UHFFFAOYSA-N 423.440 4.529 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCN(c2ccccn2)CC1 20375008 CPJXNUFCCLRDAJ-VWLOTQADSA-N 410.521 4.618 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20426427 KYMOTTJXKAHOBT-UHFFFAOYSA-N 409.533 4.644 0 40 HJAB Cc1cccc2sc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)nc12 20571081 XUTSGGIKSLDGIZ-UHFFFAOYSA-N 423.519 4.658 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3ccccc3Cl)nnc2c1-c1ccc(OC)cc1 20672956 PREUHPHNJCKMBZ-UHFFFAOYSA-N 421.888 4.576 0 40 HJAB S=c1[nH]nc(-c2ccncc2)n1NCc1cccc(OCc2ccccc2Cl)c1 22110819 DPPFUEYOFCWNIS-UHFFFAOYSA-N 423.929 4.979 0 40 HJAB O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc12)Nc1ccc(O)cc1 28076172 AOHJBJMQSIMPJW-UHFFFAOYSA-N 411.483 4.934 0 40 HJAB O=C(c1ccc(C(F)(F)F)nc1O)N(CCc1ccccc1)Cc1ccccc1 32904839 DYFOFOCMCBZERE-UHFFFAOYSA-N 400.400 4.691 0 40 HJAB CC(=O)N[C@@H](CC(=O)OCc1csc(-c2ccccc2)n1)c1ccccc1Cl 32922368 YZDMZKIERLQJGM-IBGZPJMESA-N 414.914 4.774 0 40 HJAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 35040553 ZRNRPCTXMNDZJT-GKWYLQRDSA-N 404.340 4.838 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)n2)cc1C 36732763 BAYWYUYVEOJHBA-UHFFFAOYSA-N 421.522 4.638 0 40 HJAB C[C@@H](NC(=O)N(C)Cc1ccccc1OC(F)(F)F)c1ccc(-n2ccnc2)cc1 40068792 VKDVMAJMEYUDKE-OAHLLOKOSA-N 418.419 4.674 0 40 HJAB CCOc1cc(C(=O)N2CC=C(c3ccccc3)CC2)ccc1OCc1ccncc1 40068959 JGZBIDYONJDBKX-UHFFFAOYSA-N 414.505 4.989 0 40 HJAB CCCCc1ccc(NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)cc1 46058095 LYAMSZMTBKJFJK-UHFFFAOYSA-N 416.568 4.892 0 40 HJAB CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)c(F)c1 48274929 OKKDFKNKCRHLBV-UHFFFAOYSA-N 413.390 4.648 0 40 HJAB O=C(/C=C/c1ccccc1Cl)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 49030345 UYIXJBCCGVZMBD-MZEUMTGBSA-N 410.901 4.769 0 40 HJAB O=C(OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1cc(Cl)ccc1F 51315287 WUBVYDOPUDJJAU-UHFFFAOYSA-N 416.714 4.785 0 40 HJAB C[C@H]1CCCCN1Cc1cccc(NC(=O)C2CN(Cc3ccc(Cl)cc3)C2)c1 57776098 RYRHRYSOOYIWDJ-SFHVURJKSA-N 411.977 4.785 0 40 HJAB Cn1ncc2c1CCC[C@H]2NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 70012811 DPIAAIPVIGMKSL-CYBMUJFWSA-N 406.330 4.657 0 40 HJAB Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@H]2CCCCN2C(=O)C2CCCC2)n1 72377064 JBZLCEGMNJPODM-GOSISDBHSA-N 418.463 4.988 0 40 HJAB O=c1c(Cl)c(Oc2ccc3c(c2)CCC3)cnn1-c1ccc(C(F)(F)F)cn1 89807663 FMRPHOJYMALIPM-UHFFFAOYSA-N 407.779 4.581 0 40 HJAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C1CC1)[C@H](C)c1ccc2c(c1)OCCCO2 107047408 YJIBVAVZLRYIHI-CZAAIQMYSA-N 407.510 4.712 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 222553846 FCUFTNKFTUNCEZ-NRFANRHFSA-N 400.950 4.523 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSc1ccccc1 222563066 NSBGDHVCGFLLPE-UGKGYDQZSA-N 412.599 4.543 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1C1CCCCC1 223082627 CASZLBYITJZOKT-VXKWHMMOSA-N 403.555 4.573 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 223172758 ROOASSVNXBVFPW-NRFANRHFSA-N 414.977 4.995 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccccn1)c1ccccc1 223410538 CGBRYUVHAHDTAP-HSZRJFAPSA-N 421.928 4.531 0 40 HJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 223722451 FOZJBMYCPAVCBL-QGZVFWFLSA-N 415.540 4.635 0 40 HJAB Cc1ccc(C(=O)NC2CCCCCCC2)cc1N(C)S(=O)(=O)c1ccccc1 224300047 LDLXBAZBZFWCQO-UHFFFAOYSA-N 414.571 4.663 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 225103550 QFEXPOOTQIBJPH-QFIPXVFZSA-N 412.599 4.562 0 40 HJAB COc1ccc(CSCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225132632 SLKXTLBFAMNLGN-UHFFFAOYSA-N 402.541 4.524 0 40 HJAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1ccccc1Sc1ccccc1 225752538 YXCAVPSTCMPPNC-UHFFFAOYSA-N 404.466 4.931 0 40 HJAB Cc1ccc(C(=O)Nc2cccc3ccccc23)cc1S(=O)(=O)N1CCCCCC1 408554400 CPBJZQZAMKLZJQ-UHFFFAOYSA-N 422.550 4.965 0 40 HJAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)c1 408616169 WSFJAUJNUUNVKC-UHFFFAOYSA-N 423.310 4.940 0 40 HJAB CCOc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)ccc1OCC(C)C 409083065 UPQFROJNIOJEGR-UYRXBGFRSA-N 416.587 4.853 0 40 HJAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCC[C@H](c6n[nH]c(C)n6)C5)(C4)C2)C3)cc1 540850251 CLAXRNIWLCTOMC-NRDQXKTASA-N 418.585 4.666 0 40 HJAB O=C(NCc1nccnc1-c1cccs1)c1ccc2noc(-c3ccccc3)c2c1 575621388 WMEBQNDRXIBKHF-UHFFFAOYSA-N 412.474 4.943 0 40 HJAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCC(C)C)c(Cl)c3N2)cc1 867056 WCPYRTAOJUYXQH-UONOGXRCSA-N 414.859 4.891 0 40 HJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3cccs3)cc2c1 1366936 YUNVSQMBCIMUSI-UHFFFAOYSA-N 418.518 4.831 0 40 HJAB Cc1cc(C)n(Cc2ccc(Cl)cc2Cl)c(=O)c1S(=O)(=O)c1ccccc1 1397437 HDZUSZZQDJTLGH-UHFFFAOYSA-N 422.333 4.653 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 2571170 CCPSUXJAHIPNNZ-UHFFFAOYSA-N 413.827 4.901 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccc2c(c1)OCO2 3430097 RATSPEOFIFLCKS-UHFFFAOYSA-N 421.503 4.700 0 40 HJAB COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)NC(C)(C)C)n2)cc1 3645260 HLDXRJRXLPLAOC-UHFFFAOYSA-N 413.465 4.568 0 40 HJAB CC(C)CCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1 4062239 ZBQAHVSFZAWMKF-UHFFFAOYSA-N 410.568 4.830 0 40 HJAB CN1CCN(n2c(-c3ccc(C(C)(C)C)cc3)cs/c2=N\c2ccccc2)CC1 4614530 GRWLJTXFGDEWAZ-BZZOAKBMSA-N 406.599 4.630 0 40 HJAB Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)Cc2ccc(Cl)cc2)cc1 4732448 KMFOSHZHLXZLBC-UHFFFAOYSA-N 417.900 4.797 0 40 HJAB Cc1cc(=O)n2c(n1)NC(Nc1cccc(C)c1C)=N[C@@H]2c1ccc(C(C)C)cc1 4748820 BWUQZXAOKISNMO-QFIPXVFZSA-N 401.514 4.732 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N1CCc2ccccc21 4925737 GIMLBPFWMKSRFX-UHFFFAOYSA-N 408.527 4.725 0 40 HJAB COc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)NCc2ccco2)cc1 4927707 RNDGOPVNGYGSIN-UHFFFAOYSA-N 419.506 4.754 0 40 HJAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(Cl)cc12 4986101 XJDWDPHHRQPYNA-SUNYJGFJSA-N 405.922 4.719 0 40 HJAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@H]3CCCc4ccccc43)o2)cc1 5170161 NPDGFNDSKBFXBT-QRWLVFNGSA-N 423.538 4.810 0 40 HJAB Cc1ccc2nc(NC(=O)CCC(=O)Nc3nc4ccc(C)cc4s3)sc2c1 6279412 NBCTVLKHOJRAFP-UHFFFAOYSA-N 410.524 4.880 0 40 HJAB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)c1 6642245 ROXJCVJZPAJKGV-QDZLFNKNSA-N 421.537 4.612 0 40 HJAB biogenic CCSc1nnc(NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)s1 7149775 GJABXOTXYDWYBF-UHFFFAOYSA-N 415.569 4.920 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnnn2C2CCCC2)c2ccccc2)c1 8074502 FPVLANPHLZDZOR-HXUWFJFHSA-N 407.543 4.877 0 40 HJAB CCCCN1C(=O)CC[C@H](C(=O)NC2CCCCCC2)[C@@H]1c1ccccc1OC 8193306 HEXWYJBOAWORJF-REWPJTCUSA-N 400.563 4.614 0 40 HJAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N[C@H]1CCCc2ccccc21 8230573 DZVBWVGVISLWPC-IERDGZPVSA-N 418.566 4.819 0 40 HJAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCC[C@@H]1c1nc2ccccc2s1 8744910 DQVWVTYRXZCSTP-HXUWFJFHSA-N 402.523 4.778 0 40 HJAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)C3CCCCC3)cc21 9174280 XGFOWEYJPSMCPG-UHFFFAOYSA-N 422.591 4.559 0 40 HJAB O=C(CCc1nc(-c2ccccc2)no1)N1CCc2sccc2[C@H]1c1cccs1 9596746 QLMIFLOAOUQSPV-NRFANRHFSA-N 421.547 4.967 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)o2)cc1 9909523 BODJKDPEMNQPHP-YESZJQIVSA-N 416.591 4.853 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 10365453 IKWQYKYEZRJBKQ-UHFFFAOYSA-N 416.587 4.586 0 40 HJAB COc1ccccc1[C@@H](C)NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 12560038 SPHSEEPPOKVSFR-CQSZACIVSA-N 409.486 4.630 0 40 HJAB Cc1ccccc1NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F 12741109 GQIFSEWCFSAZFR-UHFFFAOYSA-N 414.309 4.866 0 40 HJAB Cc1cc(=O)oc2cc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)ccc12 12944409 MPAOKQSEMIDANX-UHFFFAOYSA-N 413.355 4.558 0 40 HJAB Cc1cc(C)cc(N[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 13038426 VBVUVGORFXSTLM-INIZCTEOSA-N 421.463 4.598 0 40 HJAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CN3CCC[C@@H]3c3cccs3)C2=O)cc1 13102741 LNFWCHZNNUOIQJ-JPYJTQIMSA-N 411.571 4.607 0 40 HJAB COc1ccc(-c2nc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)sc2C)cc1 13145504 SNWGSJYBAYORPL-FQEVSTJZSA-N 424.522 4.937 0 40 HJAB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C)cc1 13841875 LIMMJMVJDBQSKY-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1NS(=O)(=O)c1ccccc1 14155674 CBJKHVXNBCVYRB-UHFFFAOYSA-N 420.412 4.759 0 40 HJAB C[C@H](Sc1ncc(-c2cccc(Br)c2)o1)C(=O)NCc1ccccc1 16843878 CNAXESIMXHYBFR-ZDUSSCGKSA-N 417.328 4.901 0 40 HJAB CCN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2)CC1 17088373 DVIGNZNTCVNDKB-UHFFFAOYSA-N 409.917 4.994 0 40 HJAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccccc1-c1ccccc1 17305978 ORTCOPLRFIOKGX-LJQANCHMSA-N 411.509 4.566 0 40 HJAB Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@@H]2c2ccc(F)cc2)cc1 18093853 GADWBGIFKRVVDO-JOCHJYFZSA-N 417.509 4.703 0 40 HJAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCC(C)CC5)C4=O)cc3)sc2c1 18195415 QWTJMGMRBVRYLJ-HXUWFJFHSA-N 419.550 4.636 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(Cc2cccnc2)C1 19449615 XPHZOZGDRORJCT-RUZDIDTESA-N 419.594 4.770 0 40 HJAB COc1cccc2cc(CN3CC[C@H](c4cc(COc5ccccc5)[nH]n4)C3)oc12 19704278 QKUMSPHYZGOSRM-SFHVURJKSA-N 403.482 4.733 0 40 HJAB CSc1cccc(NC(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)c1 20063229 OVBGXYIZDVVODG-UHFFFAOYSA-N 424.547 4.531 0 40 HJAB CCOC(=O)c1c(NC(=O)C(CC)CC)sc2c1CCN(Cc1ccccc1)C2 20356144 JRHMBEBMDLBRLG-UHFFFAOYSA-N 414.571 4.858 0 40 HJAB CCOc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc(C)s2)cc1 21049018 WTYQQGRIOFQNPI-UHFFFAOYSA-N 410.495 4.616 0 40 HJAB CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2sc3c(c2c1=O)CC[C@H](C)C3 27778193 BFLALDSGQHYASC-RYUDHWBXSA-N 418.588 4.962 0 40 HJAB Cc1cc(N2CCN([C@H](C)c3nc4ccccc4n3C(F)F)CC2)nc(C(C)C)n1 32879219 GFURJQCTYZEIKB-MRXNPFEDSA-N 414.504 4.536 0 40 HJAB Cc1nc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)ccc2o1 40079759 QLPVNTKZBAVIJR-KRWDZBQOSA-N 418.280 4.686 0 40 HJAB COc1cc(C)c([C@@H](C)NC(=O)c2cccnc2SCC(F)(F)F)cc1OC 40134300 AEIVPGOBXUWYEI-GFCCVEGCSA-N 414.449 4.553 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N(Cc1ccccn1)C1CC1 48273265 RUJJJDHQERESAZ-UHFFFAOYSA-N 404.436 4.897 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](C)c1ccc(Br)cc1 57315229 GLMMPQCWGOTTIR-LBPRGKRZSA-N 411.727 4.709 0 40 HJAB CC(C)[C@H](C(=O)N[C@@H]1CCc2cc(Cl)ccc21)n1cnc2cc(F)c(F)cc21 61429303 YRYZMXDXGFUZNJ-YLJYHZDGSA-N 403.860 4.969 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1C[S@](=O)Cc1coc(-c2cccs2)n1 64811947 LXKDIEVWBJXRNS-MHZLTWQESA-N 417.943 5.000 0 40 HJAB O=C(c1ccn(-c2ccccc2)n1)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 65562468 IUHPYRWAQLXLKQ-QFIPXVFZSA-N 415.472 4.769 0 40 HJAB O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1cccc(Cl)c1F 67293326 GFMDHBXMOKKPIP-DAFNUICNSA-N 409.804 4.811 0 40 HJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(F)c2C)nc1 67294434 CZKYIRKTAZOCEZ-RWEWTDSWSA-N 403.413 4.774 0 40 HJAB CCCOc1ccc(CNC(=O)c2sc(NCCc3ccccc3)nc2C)cc1 71326479 VXCGALVIBGZIEI-UHFFFAOYSA-N 409.555 4.825 0 40 HJAB O=C([C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1)N1CCc2ccccc2C1 71852304 MTRSMWJNQZVTQA-LEOXJPRUSA-N 422.956 4.698 0 40 HJAB CCOc1ccc2nc(NS(=O)(=O)c3cc(C(C)C)c(C)cc3OC)sc2c1 72414483 XFBDJFGAGOBWEC-UHFFFAOYSA-N 420.556 4.936 0 40 HJAB COc1cc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)ccc1OC1CCCC1 79045293 IAHNKRCYRHMSIH-KRWDZBQOSA-N 413.539 4.956 0 40 HJAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CNC(=O)Cc1cccc2ccccc12 89558867 UWZMZQIPONNZOZ-QGZVFWFLSA-N 423.582 4.606 0 40 HJAB CN(C)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)nc1 95385790 ZPJWFVFQAMJOEY-UHFFFAOYSA-N 402.429 4.861 0 40 HJAB Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)N2CCCC2)c2ccccc2O3)s1 96053218 FVMNEOFYOQXFAR-HXUWFJFHSA-N 424.610 4.970 0 40 HJAB COc1ccc([C@@H]2CC3=Nc4nonc4N[C@@H](c4ccc(F)cc4)C3=C(O)C2)cc1 102739423 KPKJPAXKIZJFDQ-VLIAUNLRSA-N 406.417 4.846 0 40 HJAB COc1cccc(-c2cc(C(=O)N3CCCC[C@@H](c4ccc(F)cc4)C3)n(C)n2)c1 208002005 RRTPFWMHUCNYNQ-LJQANCHMSA-N 407.489 4.645 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219615760 UCRQPIQVZYOOEH-INIZCTEOSA-N 406.269 4.517 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(C(=O)O)c3)N21 222708786 HAXKPWABYPLQIA-MAODMQOUSA-N 418.522 4.550 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 223814682 PEOVZHWXBRXISI-QHCPKHFHSA-N 412.549 4.790 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223887531 WXYUNSLGVWONGJ-LJQANCHMSA-N 410.533 4.543 0 40 HJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2sccc2C)c(OC)c1 224794554 JGBLSOYYXRVSQG-OALUTQOASA-N 411.552 4.646 0 40 HJAB CCc1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c(Br)c1 224877138 XBZUUCYJWVDHIZ-UHFFFAOYSA-N 418.209 4.928 0 40 HJAB Cc1cc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)ccc1N1CCCC1=O 225578859 LRVCEWWCBYTOMI-SFHVURJKSA-N 409.555 4.711 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225715343 DGVTZKMVEXOKIA-NAZDKBRTSA-N 416.606 4.967 0 40 HJAB Cc1c([C@H](C)[C@@H]2NC[C@H](C)C[C@@H]2O)ccc2c1C[C@@H]1[C@@H]2CC=C2C[C@H](O)CC[C@]21C 248334786 MALFODICFSIXPO-BYJUCANISA-N 409.614 4.595 0 40 HJAB biogenic,in-vitro CN(C(=O)CN1CCC[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)C1CCCCC1 257218992 DFEOHUWDHRGJKZ-JOCHJYFZSA-N 423.576 4.782 0 40 HJAB COc1cccc2c1OC1(CCN(C(=O)C3(C)CCCCC3)CC1)[C@H]1CCCO[C@H]21 257260510 LDESGXWYWIKKFB-PZJWPPBQSA-N 413.558 4.887 0 40 HJAB CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCc2ccc(Cl)c(Cl)c2)=N1 408991339 QEVZQJWCQZRMEY-QGZVFWFLSA-N 406.338 4.686 0 40 HJAB O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)o1 409179328 REZJBJVRIDKWRC-UHFFFAOYSA-N 418.232 4.861 0 40 HJAB C[C@@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccnc(O)c1 502424489 IXTONXJIYMNOTP-OAHLLOKOSA-N 403.457 4.885 0 40 HJAB O=C(O)c1ccc(-c2oc3cc4c(cc3c2-c2cc3c(cc2O)OCO3)OCO4)cc1 524731119 KRUYUOFOTVJTOJ-UHFFFAOYSA-N 418.357 4.628 0 40 HJAB biogenic C[C@H](OC(=O)c1cnnn1-c1c(Cl)cccc1Cl)c1nc2ccccc2o1 1520008109 RFFTZDOWPMHTPJ-JTQLQIEISA-N 403.225 4.633 0 40 HJAB CCOC(=O)C1=C(C)NC(c2nc(Cl)cs2)=N[C@H]1c1ccc(F)cc1Cl 1857793294 KZHFTINKGILWEN-AWEZNQCLSA-N 414.289 4.517 0 40 HJAB COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@@H](C(=O)OC)[C@@H]1c1ccc(C)cc1 626799 UHKVQSSIPLSBFK-YADHBBJMSA-N 405.494 4.675 0 40 HJAB CCCN(CCC)C(=O)c1sc(NC(=O)c2ccccc2C)c(C(=O)OC)c1C 871418 YFYSPIFCMGPNGL-UHFFFAOYSA-N 416.543 4.666 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)c2ccccc12 1431501 KPNUDCZCVRFZLS-UHFFFAOYSA-N 404.491 4.635 0 40 HJAB CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCC2)cc1 1443550 CWIDYEIWBSOKPO-JOCHJYFZSA-N 419.525 4.666 0 40 HJAB CCOP(=O)(CC(=O)NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC 1567842 RYFGYFZBHJEGDD-UHFFFAOYSA-N 413.495 4.870 0 40 HJAB Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCC1=CCCCC1 2291654 BJOYVUVSMQTMTN-UHFFFAOYSA-N 415.497 4.580 0 40 HJAB CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2390122 PVFGJCPKWYSBBI-QFIPXVFZSA-N 415.445 4.839 0 40 HJAB O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(Cl)c(Cl)c1 2514754 OWPLDSHHSJVBQJ-UHFFFAOYSA-N 406.309 4.563 0 40 HJAB O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)NC1CCCCCC1 2649452 NOWRISSMBNGDOR-UHFFFAOYSA-N 415.917 4.915 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)Cc3ccccc3F)ccc21 3234721 WWGZPXTUUHCXMN-UHFFFAOYSA-N 404.441 4.678 0 40 HJAB O=C(Cn1sc2cc(F)ccc2c1=O)Nc1cc(Cl)c(Cl)cc1Cl 4771644 HRNYNDPQCLMRSO-UHFFFAOYSA-N 405.665 4.801 0 40 HJAB O=C(COc1ccc(Br)cc1Cl)NCCSCc1ccccc1 5316431 MSXXEPCUIZKXHI-UHFFFAOYSA-N 414.752 4.531 0 40 HJAB COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cn1 6580641 RFZMMVLLSJZJQQ-UHFFFAOYSA-N 415.449 4.575 0 40 HJAB COc1cccc2c(/C=C(\Sc3nnc(C)o3)C(=O)O)c(-c3ccccc3)[nH]c12 7603658 NLYFMVUKZWMSLE-BOPFTXTBSA-N 407.451 4.753 0 40 HJAB CCc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cn3)cs2)cc1 7722705 BBQKRRMEALANFO-GFCCVEGCSA-N 415.902 4.605 0 40 HJAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 8131921 VYMGMUJNGVMIRK-UHFFFAOYSA-N 417.509 4.794 0 40 HJAB CCOc1cc(-c2cc(=O)n3c(n2)CCCCC3)ccc1OC(=O)c1ccccc1C 8254299 BMNUMDSFCRYGDR-UHFFFAOYSA-N 418.493 4.563 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(I)cc1 8307433 UZOMVJWOCOXOJO-LLVKDONJSA-N 414.674 4.692 0 40 HJAB COP(=O)(OC)c1nc(-c2ccc(Cl)cc2)oc1NCCc1ccccc1 8917028 MVVGYMWMHDVSGF-UHFFFAOYSA-N 406.806 4.761 0 40 HJAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2)C1=O 9234019 KMLGAXOIDGTMNJ-DEDYPNTBSA-N 418.474 4.523 0 40 HJAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 9376973 VIZGRIPGORGJHV-UHFFFAOYSA-N 419.550 4.873 0 40 HJAB C[C@H](NC(=O)CSc1nnc(NCc2ccco2)s1)c1cccc2ccccc12 9580405 AZZQVPJABVGAFL-AWEZNQCLSA-N 424.551 4.866 0 40 HJAB CSc1ccc(CN(C)C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 9791591 CCYNJISDKAYACT-OAQYLSRUSA-N 400.544 4.718 0 40 HJAB O=S(=O)(c1ccccc1)c1[nH]c(-c2ccccc2)nc1SCc1ccccn1 11694971 TTWDLJFZUDUNRT-UHFFFAOYSA-N 407.520 4.597 0 40 HJAB CCN1CCN(c2ccc(NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)cc2)CC1 11951654 VEAPICCSGFAYNQ-MRXNPFEDSA-N 403.979 4.601 0 40 HJAB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)o2)c1 12172863 BTEYLJRPGMXUOC-UHFFFAOYSA-N 421.478 4.638 0 40 HJAB CC(C)Cc1ccc([C@@H](NCc2nnnn2-c2ccccc2)c2cccs2)cc1 12753630 JIOAVXZTVSBXJF-HSZRJFAPSA-N 403.555 4.802 0 40 HJAB COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@H](C)C(C)=O)cc1Cl 13101651 FOQMOQOFJUGZKE-HMHNVIDESA-N 420.943 4.865 0 40 HJAB Fc1ccc(F)c(-c2nnc3sc(-c4cc(-c5ccc(Cl)cc5)n[nH]4)nn23)c1 13571309 GFNLYKYXIQNQSP-UHFFFAOYSA-N 414.828 4.842 0 40 HJAB O=c1oc2c3c(ccc2cc1-c1ccc(Cl)cc1)OCN(Cc1ccncc1)C3 13684191 UFJFSVUJQPYAIV-UHFFFAOYSA-N 404.853 4.861 0 40 HJAB biogenic Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 14003329 LIRBNWMPAUCFFZ-UHFFFAOYSA-N 406.482 4.659 0 40 HJAB Cc1ccc(C2=NN[C@@H](c3ccccc3OS(=O)(=O)c3ccc(C)cc3)S2)cc1 15223654 SVSOUQQJMAWLAQ-JOCHJYFZSA-N 424.547 4.768 0 40 HJAB Cc1ccc2occ(CN(CCCn3ccnc3)Cc3ccccc3F)c(=O)c2c1 19219773 DWDAKGVUPIFPCK-UHFFFAOYSA-N 405.473 4.530 0 40 HJAB O=C(Nc1ccc2c(c1)CCC2)c1ccn(COc2cccc(C(F)(F)F)c2)n1 27973182 OMGUOCBXDWHCEO-UHFFFAOYSA-N 401.388 4.679 0 40 HJAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccnn1Cc1cccc(Cl)c1 29766612 QCCZZHVABGJVCK-UHFFFAOYSA-N 404.901 4.931 0 40 HJAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3cccc(Br)c3)cc2)n1 32578666 BVBOXJYRFHFYQZ-UHFFFAOYSA-N 416.275 4.640 0 40 HJAB Cc1ncc(NC(=O)c2ccc(F)cc2F)n1-c1nc(-c2cccs2)cs1 35682760 DKBFHKCDEJNKJN-UHFFFAOYSA-N 402.451 4.896 0 40 HJAB Cc1ccc(NC(=O)CCCOc2ccccc2)cc1NS(=O)(=O)c1ccccc1 40106665 HMHVLQPJHFXQNH-UHFFFAOYSA-N 424.522 4.594 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875307 CIVLIGJVYIVBGN-OAQYLSRUSA-N 400.950 4.800 0 40 HJAB Cc1noc(C)c1CN(C)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 46408039 PBUGEVSFDGBOGK-UHFFFAOYSA-N 402.450 4.645 0 40 HJAB Cc1ccc(C)n1NC(=O)c1cc2cc(Br)cc(Br)c2o1 59549646 PIUXZKWDWYZGFK-UHFFFAOYSA-N 412.081 4.760 0 40 HJAB Cc1noc(C)c1CSc1nc2ccsc2c(=O)n1Cc1ccccc1F 67259909 MRVASJWKOVEWRV-UHFFFAOYSA-N 401.488 4.543 0 40 HJAB O=C(/C=C/c1nc2ccccc2s1)NCCc1ccc(F)c(Br)c1 71982892 AZRRELMCLXTRKO-BQYQJAHWSA-N 405.292 4.570 0 40 HJAB Cc1cccc(NC(=O)CSCC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)c1 72304727 OKQZBNUPNLEPFC-VQIMIIECSA-N 400.544 4.568 0 40 HJAB CCSCC[C@@H](C)N(C)C(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O 89275249 DKSUAYKXPKMLLT-GOSISDBHSA-N 408.567 4.654 0 40 HJAB COC(=O)C[C@H](c1ccsc1)c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 96115081 CCQKIALDOBRBLY-QGZVFWFLSA-N 422.458 4.628 0 40 HJAB biogenic COc1ccccc1-c1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ccccn2)cc1 100149130 SDJJTVJNJWBLPG-DHIUTWEWSA-N 414.549 4.877 0 40 HJAB O=C(OCCOc1ccc(Br)cc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 101080402 CTLQWEIZKSFKJE-CXTCDGGRSA-N 413.739 4.949 0 40 HJAB Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)C4CCCCC4)cc3)C2=O)cc1 112289647 ZYZGTGKGYGZNDH-OAQYLSRUSA-N 422.550 4.938 0 40 HJAB CCn1ncc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)c1C 118916089 VKRFPVDWWWRUGS-ZCPXYKGGSA-N 410.602 4.889 0 40 HJAB C[C@H]1c2cc(Br)c3c(c2N(C(=O)OC(C)(C)C)C(C)(C)[C@@H]1O)CCC3 141454963 LKLBCJPIEGADQE-APPDUMDISA-N 410.352 4.936 0 40 HJAB CC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(OC)c(C)c1 222718014 AWSCMHDGWFDQLI-KRWDZBQOSA-N 402.343 4.881 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 223404044 USZGJCRXFSYPRB-NRFANRHFSA-N 414.977 4.913 0 40 HJAB CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1 224363745 WPNMAHVGBKPUOX-IBGZPJMESA-N 422.550 4.701 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)c1 224848169 CBVFFEJSRPUHIN-HXUWFJFHSA-N 424.560 4.851 0 40 HJAB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OC)c2)CCC(C)CC1 225856411 MJSFQOSKZDYCPX-BNGSBABLSA-N 405.535 4.965 0 40 HJAB COc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Br)cc2C)o1 227147793 SEIHAOSHABFKDA-UHFFFAOYSA-N 401.260 4.861 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(Cc4ccncc4)c3C)N21 260756086 DDPBXADSUZPBRQ-PTUXOGIPSA-N 417.582 4.923 0 40 HJAB O=C(c1cc2ccc(C(F)(F)F)cc2[nH]1)N1CCc2c(cnn2-c2ccccc2)C1 539877286 HGZHYYDFTDMWSK-UHFFFAOYSA-N 410.399 4.571 0 40 HJAB CCCCN1CCOc2ccccc2CCCCC2(CCN(C(=O)CC)CC2)C1 643588297 CNLAUDZYBXAALQ-UHFFFAOYSA-N 400.607 4.913 0 40 HJAB Cc1c(C(=O)N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)oc2c(F)cccc12 674820710 GCGNHLAFPZSUBQ-INIZCTEOSA-N 420.440 4.661 0 40 HJAB COc1cccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)c1 649114 ZYWGIBOLIUYSGY-UHFFFAOYSA-N 408.408 4.903 0 40 HJAB CCN(CC)C(=O)c1sc(NC(=O)c2cccc3ccccc23)c(C(=O)OC)c1C 667557 BXUYRMONXNCUEJ-UHFFFAOYSA-N 424.522 4.731 0 40 HJAB CN(C(=O)CSc1ncnc2c(-c3cccs3)nsc12)C1CCCCC1 1358733 MKMIRNMRZPCYRB-UHFFFAOYSA-N 404.586 4.698 0 40 HJAB Cc1nc2cc(Cl)c(NC(=O)C3CCCCC3)cc2c(=O)n1Cc1ccccc1 1360583 YKPORMAIXHUITE-UHFFFAOYSA-N 409.917 4.925 0 40 HJAB Cc1cc(-c2ccccc2)nc(-n2cc(C(=O)c3ccc(Cl)cc3Cl)nn2)n1 1393566 XLWABBDUQIBVQC-UHFFFAOYSA-N 410.264 4.571 0 40 HJAB CC[C@H](OC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccco1 1703554 JJTVWUQFVYYFJR-SFHVURJKSA-N 406.504 4.590 0 40 HJAB CCOc1ccc(OCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 2203748 FZNKEMMOLPGRCM-UHFFFAOYSA-N 416.477 4.550 0 40 HJAB S=C(NCc1ccccc1)Nc1cccc(NC(=S)NCc2ccccc2)c1 2289350 IEVVQKPULIGDCA-UHFFFAOYSA-N 406.580 4.660 0 40 HJAB CCOc1ccc(Cc2nc3c4c5c(sc4ncn3n2)C[C@H](C)CC5)cc1OCC 2790328 RZDSWEMPHKFALM-CQSZACIVSA-N 422.554 4.852 0 40 HJAB O=C(Nc1ccc(Cl)cc1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 3015950 AMHPDMZBJIOSNY-UHFFFAOYSA-N 410.260 4.945 0 40 HJAB CN(C(=O)c1cc(Cl)cn(Cc2ccc(C(F)(F)F)cc2)c1=O)c1ccccc1 3134503 PWCINVBRJCAVLA-UHFFFAOYSA-N 420.818 4.845 0 40 HJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)[C@@H](C)[C@@H](O)c3ccccc3)cc12 3235866 SNCBQDISOXPOKY-HRAATJIYSA-N 405.523 4.590 0 40 HJAB CC(C)N(C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1 3237125 GRBVUJQPAFCELZ-UHFFFAOYSA-N 401.462 4.516 0 40 HJAB COc1cc(C(=O)Nc2ccccc2Cl)cc(NC(=O)c2cccs2)c1OC 3400624 HNIRQQGEAGVXAF-UHFFFAOYSA-N 416.886 4.923 0 40 HJAB CCn1c(S[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)nnc1-c1cccs1 3438905 NSYQXSLCRCYJTO-LLVKDONJSA-N 417.585 4.795 0 40 HJAB CC(C)(C)[C@H](/C=C/c1ccc(Cl)cc1Cl)NC(=O)C1(NC=O)CCCCC1 3764879 JXSPHIAJRHIPFH-LNENJAERSA-N 411.373 4.986 0 40 HJAB COc1ccc(Cl)cc1C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 4305559 FTUACGDCRSMWLS-LJQANCHMSA-N 412.942 4.944 0 40 HJAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)sc2c1CCCC2 4558263 MBHVYPOFHFRFGE-GFCCVEGCSA-N 407.919 4.781 0 40 HJAB Clc1ccc(-c2nsc3c(N4CCN(c5ccccc5)CC4)ncnc23)cc1 4857996 PLEHVHVUAPWGKS-UHFFFAOYSA-N 407.930 4.733 0 40 HJAB COc1ccc(C(=O)N2C(=S)C(c3ccc(C)cc3)=NC23CCCC3)cc1OC 4891962 DRFYTHPOVYYYQN-UHFFFAOYSA-N 408.523 4.555 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 5167247 JLYQTAVPLWZAFP-JNFBOQJPSA-N 416.558 4.772 0 40 HJAB in-vitro CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccc(-c2ccccc2)cc1 5233932 YMXVZZUITCXAJX-VWLOTQADSA-N 412.489 4.626 0 40 HJAB O=C(CSc1nncn1-c1ccccc1)Nc1ccccc1Cc1ccccc1 7677581 JWGWGRCSFFZIQM-UHFFFAOYSA-N 400.507 4.589 0 40 HJAB Cc1ccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3ccccc3)n2)cc1 7759414 LZRPLZZLBCXHKV-UHFFFAOYSA-N 411.527 4.569 0 40 HJAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1oc2ccc(OC)cc2c1C 7841884 OOGXCEHZTYWVHG-UHFFFAOYSA-N 414.889 4.812 0 40 HJAB Cc1ccc(NC(=O)C[C@H]2C=CCC2)cc1S(=O)(=O)Nc1ccccc1Cl 8050164 RAQLTPBTCFTGLD-HNNXBMFYSA-N 404.919 4.744 0 40 HJAB O=C(Nc1ccc(F)cc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9071679 HMOFONOTGCOHAW-UHFFFAOYSA-N 401.441 4.902 0 40 HJAB C[C@H](NC(=O)CSc1nnc(NC2CC2)s1)c1ccc(-c2ccccc2)cc1 9216986 CIQMMCZZYKOHKD-AWEZNQCLSA-N 410.568 4.749 0 40 HJAB COc1ccc(CCCc2nnc(SCC(=O)c3ccc(C)cc3)n2C)cc1C 9582618 JLBIPXYPQQFEFQ-UHFFFAOYSA-N 409.555 4.591 0 40 HJAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1Oc1ccccc1 9796004 CSBKAKUVMYTPOO-UHFFFAOYSA-N 422.506 4.516 0 40 HJAB O=C(c1cc(Br)ccc1Cl)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10544481 IADYHOMYQCTRER-GFCCVEGCSA-N 418.722 4.999 0 40 HJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(I)cc1 11637170 YPOWIRPZRGQNBI-QGZVFWFLSA-N 409.267 4.704 0 40 HJAB O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)NC1CCCCCCC1 12516372 KYTXMQFCHCXVBF-UHFFFAOYSA-N 401.576 4.849 0 40 HJAB Cc1ccc(F)c(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)c1 12891154 MCOQLJRHWGVNNS-MRXNPFEDSA-N 424.497 4.526 0 40 HJAB COc1cc(C)c(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)cc1OC 14050394 GXQHBGCMIHLZIO-UHFFFAOYSA-N 423.488 4.858 0 40 HJAB CCOc1ccccc1-c1nnc(NC(=O)c2cc(-c3cccc(F)c3)no2)s1 19666827 JMQMSYZJRJKMCZ-UHFFFAOYSA-N 410.430 4.650 0 40 HJAB Cc1c(CN2CCO[C@@H](c3c(C(N)=O)sc4ccccc34)C2)oc2ccccc12 19697602 TUIHUOLVTKPMRO-LJQANCHMSA-N 406.507 4.628 0 40 HJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 20044126 KXVRNEZCPOEGMR-INIZCTEOSA-N 412.555 4.877 0 40 HJAB O=C([C@@H]1CCCC[C@H]1c1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 24363066 BSYVLPMHZUTQQB-WOJBJXKFSA-N 405.567 4.919 0 40 HJAB CCn1c(S[C@H](C)C(=O)c2c[nH]c3ccccc23)nnc1-c1ccccc1OC 24638304 OEBUFJSQSTXZDH-CQSZACIVSA-N 406.511 4.818 0 40 HJAB Cc1cccc(Cn2cc(Br)c(NC(=O)[C@@H]3C[C@H]3c3ccccc3)n2)c1 27917557 RYKBAPBYXDEQSM-ZWKOTPCHSA-N 410.315 4.745 0 40 HJAB O=C(Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)c1ccc2c(c1)OCO2 28221612 ITOXWRURBMCSEN-UHFFFAOYSA-N 403.369 4.524 0 40 HJAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 29603474 OEVVWADFZKOHGG-AWEZNQCLSA-N 414.889 4.822 0 40 HJAB O=C(O)c1sc2c(c1-c1ccccc1)N=C(O)C[C@]21C(=O)Nc2c(Cl)cccc21 32072486 MRWZLUVIBIBQGC-OAQYLSRUSA-N 424.865 4.997 0 40 HJAB COc1ccc(OC)c(NC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)c1 33147937 ODRMHNKJBGDLEF-UHFFFAOYSA-N 414.465 4.567 0 40 HJAB Cc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccc(F)cc4)n3)c2)cc1 33327322 NBDLBPHDUNDLQZ-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB CCOc1cccc2sc(NC(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)nc12 35316914 LFSLVTAAFARFDL-UHFFFAOYSA-N 406.389 4.842 0 40 HJAB COc1cccc(NC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c23)c1OC 36617345 JHUFKQUYLMZNPU-UHFFFAOYSA-N 407.401 4.607 0 40 HJAB CCOc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c1 41091658 BYLSSTIODDJHHJ-AWEZNQCLSA-N 400.544 4.649 0 40 HJAB CC(C)(C)c1noc(CCCC(=O)Nc2ccc(-n3cnc4ccccc43)cc2)n1 41776731 MKSRRLSNKDLNPV-UHFFFAOYSA-N 403.486 4.667 0 40 HJAB CC1(C)C[C@H](NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc2O1 44918117 DVBXOJVCDQKCPK-RXVVDRJESA-N 412.961 4.971 0 40 HJAB C[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)N1c2ccccc2NC(=O)C1(C)C 57315562 WUFXIJDSHGUTJC-GOSISDBHSA-N 413.521 4.518 0 40 HJAB CCN(Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1)C(C)C 60350599 VVJOUGVWNVXYDD-UHFFFAOYSA-N 402.922 4.984 0 40 HJAB Cc1cc(SCC(=O)N[C@@H](C)CCc2ccccc2)nc(-c2cccc(F)c2)n1 67257397 GWAANPOFCHYXDJ-INIZCTEOSA-N 409.530 4.821 0 40 HJAB COc1ccc2c(c1)[C@H](N(Cc1ccccc1)Cc1nc(CC(C)C)no1)CCO2 72296474 BMXVZUNWKSGYNB-OAQYLSRUSA-N 407.514 4.803 0 40 HJAB CCn1cc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)c(C)n1 72376628 XWRKMKKEZIMVRC-NRFANRHFSA-N 424.980 4.725 0 40 HJAB Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc4nc(C(C)(C)C)[nH]c4c3)cc2)co1 79052771 HQIFNICHLIUXCY-UHFFFAOYSA-N 410.499 4.625 0 40 HJAB C[C@H]1CN(c2ccc(CNCc3cccc(Oc4ccccc4)c3)cn2)C[C@H](C)O1 95348684 ZZFBRRYCLIFFRH-PMACEKPBSA-N 403.526 4.777 0 40 HJAB CCN(CC)CCN(C(=O)[C@H](C)c1c(C)noc1C)c1cccc(C(F)(F)F)c1 95462421 WAEOLJJDKXDRKS-CQSZACIVSA-N 411.468 4.789 0 40 HJAB COc1ccccc1-c1nnc(SCCCn2ccnc2)n1CCc1ccccc1 95468076 KVDLAKSVWWEZNM-UHFFFAOYSA-N 419.554 4.575 0 40 HJAB COc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NC(C)C)c2ccccc23)cc1 96052628 VUVMBBSDCHUKNJ-NRFANRHFSA-N 406.570 4.631 0 40 HJAB Cc1ccc(C(C)C)c(OC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1 102635633 TZXPQXKEBGMTJM-ZCVTWQBDSA-N 415.489 4.649 0 40 HJAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 103053044 LVKKLRKYYAOROG-SFTDATJTSA-N 417.896 4.644 0 40 HJAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 103263138 KTFRQUMDOWLBCX-RYQLBKOJSA-N 408.498 4.721 0 40 HJAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1C 223383670 ANVAFJIFWFSBCG-QGZVFWFLSA-N 405.560 4.792 0 40 HJAB Cc1ccc(CN(C(=O)CSc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 223807723 ZOWWDOXXNLUWBO-LJQANCHMSA-N 410.583 4.563 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 223869516 TXUYSFDRQMJPHY-MRXNPFEDSA-N 421.368 4.706 0 40 HJAB CC(C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224020189 OHPWAHFYBFDOMN-UHFFFAOYSA-N 415.342 4.570 0 40 HJAB CCc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)cc1 224131893 FXIAFFUTFIFLRL-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)c1 224560047 YSUPKBSGSMDFJU-GOSISDBHSA-N 424.522 4.510 0 40 HJAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)s2)c1 224827542 VYYORAIYDAFYOI-VQTJNVASSA-N 411.552 4.646 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 224834434 RIFXWXXLKJFNOY-GOSISDBHSA-N 400.950 4.525 0 40 HJAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCOCC4)cc3)CCCC2)c1 225510211 NXUFVAZMYHKIAC-UHFFFAOYSA-N 422.569 4.547 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 225593004 RCUCIEXLRDCZNK-LJQANCHMSA-N 420.528 4.853 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 225656009 GVABHRQYKATOHW-XXBNENTESA-N 412.549 4.789 0 40 HJAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257233701 GQHVJUCWLKWZGO-LJQANCHMSA-N 406.873 4.772 0 40 HJAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)/C=C/c3ccccc3)cc2)cc1 409183055 QRPMJDPPIQNURR-CXUHLZMHSA-N 400.430 4.654 0 40 HJAB Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](CN4CCC(C)CC4)C3)cc2)nn1 608325219 IMIHFGJWFYAHNF-FQEVSTJZSA-N 423.561 4.553 0 40 HJAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1C[C@@H]2CCCN2c2ccccc21 643173173 WFNKYGZMGOGOEM-FQEVSTJZSA-N 412.537 4.906 0 40 HJAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3ccccc3F)CC2)C1 643570349 ALRMUSAHQGSVFG-UHFFFAOYSA-N 424.560 4.785 0 40 HJAB Cc1ccc([C@@H](NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)c2ccccn2)cc1 685841303 VMLNOMLPYJLUAV-AUSIDOKSSA-N 405.929 4.776 0 40 HJAB COc1ccc(-c2coc3cc(OCCCCCC(=O)O)c(OC)cc3c2=O)cc1 2060990603 FDTXKQFQKSPQSI-UHFFFAOYSA-N 412.438 4.501 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1[C@@H](C)Oc1ccccc1 687649 FMOONCQGVBYSKX-QGZVFWFLSA-N 410.543 4.786 0 40 HJAB Cc1ccc(-n2c(SCC(=O)OC3CCCCC3)nnc2-c2ccncc2)cc1 897262 BIAUBHSKTLOSRF-UHFFFAOYSA-N 408.527 4.606 0 40 HJAB Cc1cc(-c2cccs2)c2c(N)c(C(=O)c3ccc4c(c3)OCCO4)sc2n1 1255538 VUOXHOWBNNGYCJ-UHFFFAOYSA-N 408.504 4.918 0 40 HJAB CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1C[C@H](C)C[C@@H](C)C1 1341181 UUJPOMSUSTWSJI-HZPDHXFCSA-N 408.546 4.767 0 40 HJAB Cc1ccc2c(c1)cc(CN(C(=O)Nc1ccccc1)C1CCCCC1)c1nnnn12 1376902 NIOSTPYMDHWHFC-UHFFFAOYSA-N 414.513 4.953 0 40 HJAB CCCCCSc1nnc2c(n1)O[C@H](c1ccco1)N(C(C)=O)c1ccccc1-2 2094825 MOODDVQAECSCAU-HXUWFJFHSA-N 410.499 4.858 0 40 HJAB COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)c1ccc(Cl)cc1 2315912 KASRXBLNLVCSRX-UHFFFAOYSA-N 407.651 4.623 0 40 HJAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Br)cc3)ccc12 2330532 JJAUCCUZPJGBPZ-UHFFFAOYSA-N 416.271 4.526 0 40 HJAB O=C1C[C@@H](c2ccccc2)Cc2nc3nc(SCc4ccccc4Cl)nn3cc21 2347871 YZYFCNHWRGSTSM-INIZCTEOSA-N 420.925 4.983 0 40 HJAB FC(F)C(F)(F)Oc1cccc(-c2nc3c4c5c(sc4ncn3n2)CCC5)c1 2786912 PUZFGTDTBAWXBY-UHFFFAOYSA-N 408.380 4.731 0 40 HJAB Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)OCC(=O)OC(C)(C)C)cc12 3361188 IFAAJAKHWGNMSK-UHFFFAOYSA-N 406.891 4.547 0 40 HJAB O=C(COC(=O)c1cc2c(s1)CCC2)Nc1cc(C(F)(F)F)ccc1Cl 3440195 RGKYYONTRHXNGX-UHFFFAOYSA-N 403.809 4.705 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCCCC2)cc1OC 4146209 GFJZCDCWXPQGNY-IBGZPJMESA-N 408.498 4.916 0 40 HJAB CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc12 4660884 DAXRFQMKLSUHJG-UHFFFAOYSA-N 419.474 4.946 0 40 HJAB C[C@@H](NC(=O)C1CCN(Cc2cccc(Br)c2)CC1)c1ccccc1 4700185 GLZHNNMBFDIEPO-MRXNPFEDSA-N 401.348 4.539 0 40 HJAB CCOc1ccccc1Nc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)s1 4843447 AZCANRVULTZDQN-ZIAGYGMSSA-N 406.577 4.562 0 40 HJAB CC1(C)C[C@H](NC(=O)c2cccc(F)c2)C[C@](C)(CNC(=O)c2cccc(F)c2)C1 4948403 LDIXUERNYDPSEP-RDPSFJRHSA-N 414.496 4.710 0 40 HJAB COc1cc(OC)c(OC)cc1CNC(=O)CC(c1ccccc1)c1ccccc1 5246246 BXQQPAXTNRGFGQ-UHFFFAOYSA-N 405.494 4.551 0 40 HJAB Cc1cc2nnc(S[C@H](C(=O)N3CCCC3)c3ccccc3)n2c2ccccc12 5278235 DAXOWGOKZRUHMU-NRFANRHFSA-N 402.523 4.647 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)NC3CCCCC3)n2Cc2ccccc2)c1 6668866 FIESMFBHXVWWFV-UHFFFAOYSA-N 420.582 4.843 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(C)n1C1CC1)c1ccccc1 7617388 UBQLTIMVLXMSTK-FQEVSTJZSA-N 408.527 4.711 0 40 HJAB COc1ccc2c(CC(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)coc2c1 7779220 GBLCPIYEIVUCKC-UHFFFAOYSA-N 407.466 4.684 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1oc2ccccc2c1C 7968214 ZEIIBPIEPYEQLG-UHFFFAOYSA-N 404.388 4.861 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H](C)c1ccccc1Br 8022105 RABAACQOYJWQKI-AWEZNQCLSA-N 412.331 4.672 0 40 HJAB Cc1nc(SCC(=O)N[C@@H](C)c2ccc(Br)cc2)n(CC(C)C)c1C 8131072 QOOFJZLVDFPJFF-AWEZNQCLSA-N 424.408 4.888 0 40 HJAB COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NC(=S)Nc4ccccc4)C3)c2C)cc1 8636268 GZKPOXAMTVFQLE-UYAOXDASSA-N 418.566 4.896 0 40 HJAB biogenic,in-vitro Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(c1cccc(C)n1)C3=O 8664927 QUUOAYYIWRJTDY-OAQYLSRUSA-N 400.409 4.694 0 40 HJAB O=C(c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1)N1CCCCCC1 9356435 PHKSPFYSPSWNJB-UHFFFAOYSA-N 408.523 4.657 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NCc1ccc(F)cc1 9987565 LPJRCXGIVMEKRN-UHFFFAOYSA-N 424.526 4.543 0 40 HJAB CSc1ccc(-c2csc(NC(=O)c3cccc(N4CCCC4=O)c3)n2)cc1 11423315 MXOKTCBPOVYVRU-UHFFFAOYSA-N 409.536 4.911 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1Cc1cccnc1 12528126 DPUCKKOSHQHTHU-FQEVSTJZSA-N 402.837 4.587 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc3ncsc3c2)sc2c1CCCS2 12762390 IHTPGTMMIPHILP-UHFFFAOYSA-N 404.538 4.825 0 40 HJAB CCCc1cc(C(=O)N(C)CC(=O)Nc2ccc(OCC)c(OCC)c2)sc1C 12860028 NBFPGHKSWPSDFP-UHFFFAOYSA-N 418.559 4.517 0 40 HJAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12875370 MWCSZCYOAHNCCF-HUUCEWRRSA-N 420.340 4.671 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccc(F)c2c1C(=O)C[C@@H]2C 12931390 GHRYCIHXCBOCAG-RYUDHWBXSA-N 405.853 4.892 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cc2ccccc2c(=O)[nH]1 12933022 AOWQZPSWNKDTCA-UHFFFAOYSA-N 401.491 4.783 0 40 HJAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc2c(c1)CCC2 13121074 SOOKATJEANFWFH-AWEZNQCLSA-N 424.595 4.873 0 40 HJAB O=C1C[C@@H](c2ccccc2)Cc2nc3nc(SCc4ccc(Cl)cc4)nn3cc21 13634246 ZDGUBEAPTQOWEJ-INIZCTEOSA-N 420.925 4.983 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1 13690264 XDGBXQJBDKEAEN-UHFFFAOYSA-N 415.493 4.883 0 40 HJAB Cc1cccc(CC(=O)N2CCC(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)c1 19234650 OKNMJMDARJPEBX-UHFFFAOYSA-N 414.553 4.919 0 40 HJAB COc1cc(CN[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)cc(OC)c1OC 19559847 GSGMYONRFOHVSV-KRWDZBQOSA-N 418.584 4.921 0 40 HJAB Cc1nn(C)cc1CN1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 19694311 RAEJGAAWBANBCX-NRFANRHFSA-N 424.980 4.632 0 40 HJAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2ccnn2C)nc2ccccc12 19716527 HAQCQGLOQYJRSG-JOCHJYFZSA-N 402.473 4.998 0 40 HJAB Cc1nn(-c2ncccn2)c2c1[C@H](c1c(Cl)cccc1Cl)SCC(O)=N2 20744817 WKXYVPAHKIZWNA-OAHLLOKOSA-N 406.298 4.702 0 40 HJAB COc1cc(COC(=O)c2cccc(OCc3cscn3)c2)ccc1OC(F)F 21762782 CABWDFJWTFFADB-UHFFFAOYSA-N 421.421 4.689 0 40 HJAB COc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 22075753 UDPCMHLTSCOCSB-OAQYLSRUSA-N 415.892 4.890 0 40 HJAB O=C(Nc1ccccc1NS(=O)(=O)c1cccs1)c1ccc(Cl)cc1F 23172688 ASNHMCVCMWYFPX-UHFFFAOYSA-N 410.879 4.594 0 40 HJAB NC(=O)Cc1ccc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 24489569 ZIAASDMTFDEHND-UHFFFAOYSA-N 414.383 4.778 0 40 HJAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 24715268 PGCNKIPREANFKT-UHFFFAOYSA-N 410.481 4.912 0 40 HJAB CC[C@@H](C)NC(=O)C[C@@H](c1ccc(OC)cc1)c1cc(Br)ccc1O 27517420 PDNKVTNDTIQLFN-DYVFJYSZSA-N 406.320 4.600 0 40 HJAB Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)N2CCCCCC2)cc1 27584356 YHWZGHFJCCVLIP-JOCHJYFZSA-N 400.950 4.761 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)c2ccccc2C)c1 28935157 HGJFVDDEDBCEPV-IBGZPJMESA-N 422.550 4.904 0 40 HJAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 32769100 GCZMGQMBQHRMGL-UHFFFAOYSA-N 420.490 4.565 0 40 HJAB CCc1ccc2[nH]c(CSCC(=O)Nc3ccc(F)c(Cl)c3)cc(=O)c2c1 33064291 IWBTVFZBWZFEEI-UHFFFAOYSA-N 404.894 4.755 0 40 HJAB CCN1CCN(c2ccccc2NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC1 40103957 UFTODRSXDMBDJJ-KRWDZBQOSA-N 400.954 4.707 0 40 HJAB O=C(NCc1ccccc1)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 40120565 LIXPEWYQYNOVMP-UHFFFAOYSA-N 403.360 4.872 0 40 HJAB CC(=O)NCc1ccc(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)cc1 40157332 NHKRXVCBHWKBKE-HSZRJFAPSA-N 406.913 4.690 0 40 HJAB COc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2-c2ccccc2C)cc1 44086734 XSZWXBHCFHCHHN-UHFFFAOYSA-N 407.539 4.571 0 40 HJAB O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccsc1)Cc1ccccn1 44446168 OXYXHBXRWLHGDO-UHFFFAOYSA-N 412.458 4.553 0 40 HJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875044 VEQAFUJEAZVZMY-HXUWFJFHSA-N 402.538 4.909 0 40 HJAB CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1C 44911673 NYVYKLSOKLTVLZ-UHFFFAOYSA-N 414.933 4.676 0 40 HJAB CC(=O)NCc1ccc(C(=O)CSc2nccn2-c2cccc(Cl)c2C)s1 45527735 HFPZIKSGDSLRII-UHFFFAOYSA-N 419.959 4.507 0 40 HJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 45834510 QELRKJKMBRCPQO-NSHDSACASA-N 414.918 4.754 0 40 HJAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(CC(=O)NCc2cccs2)cc1 49510366 ASEPGAQKTOCMRU-FMIVXFBMSA-N 410.926 4.912 0 40 HJAB C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1nc(-c2ccccc2)c[nH]1 62580816 MYFUDKXDMVHXRO-AWEZNQCLSA-N 422.435 4.820 0 40 HJAB COc1ccc(-n2cc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)cc1 67245181 PUPZXAONPWKAEQ-UHFFFAOYSA-N 413.408 4.855 0 40 HJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C)c(F)c3)oc12 67299099 POQDZHJSYLQMAL-RWEWTDSWSA-N 406.413 4.644 0 40 HJAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)C2CCCCC2)n1 72354679 MSTMQIKJPDKISQ-GOSISDBHSA-N 418.463 4.988 0 40 HJAB CC[C@@H](NC(=O)c1ccccc1)c1nc(-c2cc3cccc(OC)c3oc2=O)cs1 78822979 BGQFFZOHGDZQQZ-QGZVFWFLSA-N 420.490 4.806 0 40 HJAB COC(=O)C[C@H](c1ccccc1)c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 85877948 OTSDTXFYHDCDNR-LJQANCHMSA-N 416.429 4.566 0 40 HJAB biogenic CC(=O)N1CCCc2cc(NC(=O)/C=C/C3=Cc4cc(Cl)ccc4OC3)ccc21 95393442 JKSPPYCWDGOCIA-RUDMXATFSA-N 408.885 4.610 0 40 HJAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)N5CCCC5)cc34)cs2)cc1 96154445 OXYHDNGEFDVXAA-UHFFFAOYSA-N 405.479 4.863 0 40 HJAB CCOc1ccccc1C(=O)NC1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 98212644 LSIHQSMEIYWKJN-UHFFFAOYSA-N 424.932 4.528 0 40 HJAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 205662101 UUXSVYDOGRXESC-XSFVSMFZSA-N 403.821 4.904 0 40 HJAB Cc1cccc(-c2noc(CNC(=O)CSCc3ccc(Cl)cc3Cl)n2)c1 222729354 LJUXWJKXXXXNMW-UHFFFAOYSA-N 422.337 4.901 0 40 HJAB CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)cc1 222842690 RZRURTJJTGZADI-FCHUYYIVSA-N 406.555 4.652 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCSc1ccccc1 223089216 WSUIMXCQNSUMFZ-MSOLQXFVSA-N 416.562 4.640 0 40 HJAB Fc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 223356025 DERUOKWZBMAKRP-FGZHOGPDSA-N 418.497 4.777 0 40 HJAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 223878354 POPMLEJYUYSWHW-DHIUTWEWSA-N 412.518 4.755 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 224264202 MGCHHXUSJVHWMC-MRXNPFEDSA-N 421.368 4.725 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 224740313 CSWWJEOZOXXYGB-INIZCTEOSA-N 421.368 4.788 0 40 HJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2sccc2C)c(OC)c1 224794474 JGBLSOYYXRVSQG-RBUKOAKNSA-N 411.552 4.646 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 225005883 UAQHTXHLEVHHQE-ZWKOTPCHSA-N 400.950 4.605 0 40 HJAB Cc1cc(C)c(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)c(C)c1 225820899 JFSPNDNULXOURT-UHFFFAOYSA-N 414.303 4.996 0 40 HJAB CCOCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C)n1 225862906 FYNKKNZTKQOIRG-UHFFFAOYSA-N 402.922 4.909 0 40 HJAB CCOc1ccc(Cl)cc1S(=O)(=O)NC(c1ccccc1)c1ccccc1 408586815 RLSAFACQKXJJGM-UHFFFAOYSA-N 401.915 4.807 0 40 HJAB O=C(COc1ccc(CNc2cccc(C(=O)O)c2)cc1Cl)Nc1ccccc1 408603645 CCOBGHDXWVUXIL-UHFFFAOYSA-N 410.857 4.668 0 40 HJAB Cc1[nH]c(C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(C)c1C(=O)OC(C)C 505482698 BDWYWECCXBCEGV-GDBMZVCRSA-N 408.420 4.501 0 40 HJAB Cc1cccc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccccc3)nc(C)n2)n1 585292261 KCIYHXVEOWVKNU-JXVRESAISA-N 413.525 4.999 0 40 HJAB Cc1csc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccco3)nc(C)n2)n1 585292965 UUAIILGQMMZYFS-BLGFXRMMSA-N 409.515 4.654 0 40 HJAB Cc1ccnc(Cl)c1NC(=O)c1cc(C(C)(C)C)nn1Cc1ccc(F)cc1 2037846451 YOCNCLCUKFZDJZ-UHFFFAOYSA-N 400.885 4.977 0 40 HJAB COc1cc(NC(=O)c2ccc(N(C)C)cc2)c(Cl)cc1NC(=O)c1ccccc1 670682 PTRCKMUXBWVZSY-UHFFFAOYSA-N 423.900 4.919 0 40 HJAB COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)cc1 779397 UFTQVNFXWXXKEI-UHFFFAOYSA-N 423.538 4.641 0 40 HJAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1ccco1)c1cccc(F)c1 1380210 SSBMAPMYPVJAPJ-QFIPXVFZSA-N 406.457 4.866 0 40 HJAB COc1ccc2cnn(CCCCOc3cc(C(C)C)ccc3C)c(=O)c2c1OC 2201227 GQXSJHJZFMBPBM-UHFFFAOYSA-N 410.514 4.705 0 40 HJAB CC[C@]1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnc(SC)n21 2393764 YWZCOJRDKMMVTE-XMMPIXPASA-N 416.550 4.552 0 40 HJAB CCOc1ncccc1C(=O)O[C@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1 3221218 DNSIRKDTACTQLX-NRFANRHFSA-N 404.466 4.634 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1 3231747 RRXDSPSCFVDCAC-UHFFFAOYSA-N 417.086 4.860 0 40 HJAB aggregator COc1ccc2c(c1)CCc1sc(NC(=O)c3ccccc3Br)nc1-2 3651715 AJNVQWGECFEUDX-UHFFFAOYSA-N 415.312 4.932 0 40 HJAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc12 4340793 FQHXNXOBKNFZCC-UHFFFAOYSA-N 400.386 4.716 0 40 HJAB biogenic O=C(NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccco1 4386835 REFHLYWZQRCIEQ-UHFFFAOYSA-N 411.864 4.833 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)NC3CCCC3)n2-c2ccc(C)cc2)cc1 4541244 CSTVPWIHKLOTFQ-UHFFFAOYSA-N 406.555 4.702 0 40 HJAB COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)cc1 4699968 PKJYYOGRHWGJBE-UHFFFAOYSA-N 411.527 4.601 0 40 HJAB O=C(Nc1ccc(N2CCCCC2=O)cc1)c1cc(Br)ccc1Cl 5441193 GEJWMEWYSKBTGF-UHFFFAOYSA-N 407.695 4.872 0 40 HJAB O=C(Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1)C1CCC1 5652284 CMKHCHXPXIOFQG-UHFFFAOYSA-N 412.483 4.541 0 40 HJAB COC(=O)/C(=C/c1ccc(/C=C(/C(=O)O)c2ccc(OC)cc2)o1)c1ccccc1 5766194 RCJZGELYXLOSJG-NNFYUIBOSA-N 404.418 4.627 0 40 HJAB COCCn1c(C)cc(C2=NN=C(Nc3ccc(Cl)cc3Cl)SC2)c1C 5861380 VFYZURXOKYQZCL-UHFFFAOYSA-N 411.358 4.977 0 40 HJAB aggregator Cc1cc(C2=NN=C(Nc3cccc(Cl)c3)SC2)c(C)n1C[C@H]1CCCO1 5866846 DDTWVLFIDFNENQ-QGZVFWFLSA-N 402.951 4.856 0 40 HJAB COc1ccc(NC(=O)CCC2CCCC2)cc1NS(=O)(=O)c1ccc(F)cc1 6178394 QRPNKGDIRWKVKW-UHFFFAOYSA-N 420.506 4.544 0 40 HJAB COc1cc(CCC(=O)Nc2nc3ccc(Cl)cc3s2)cc(OC)c1OC 6331816 QIPLJHBSUACTPG-UHFFFAOYSA-N 406.891 4.547 0 40 HJAB COc1ccc(Nc2ccccc2NC(=O)CCCn2c(=O)oc3ccccc32)cc1 6582123 SFXVMXKAWZLONV-UHFFFAOYSA-N 417.465 4.766 0 40 HJAB CCCCOc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 6652156 DSNBZHWJICFELD-UHFFFAOYSA-N 414.461 4.918 0 40 HJAB COc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)ccc2N2CCCCCC2)c1 8133132 VCORVLJFQDCECM-UHFFFAOYSA-N 424.950 4.538 0 40 HJAB NC(=O)N[C@H](CC(=O)N1CC[C@H]2CCCC[C@@H]2C1)c1cccc(Oc2ccccc2)c1 8161915 JFTBOLRABAKNCO-KKLQWCBXSA-N 421.541 4.617 0 40 HJAB CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccc(C(C)C)cc2)NC(=S)N1 8769251 IXCBFNNRMZILII-LJQANCHMSA-N 401.482 4.520 0 40 HJAB COc1ccc(-c2noc(CN(C(=O)Nc3cccc(Cl)c3)C(C)C)n2)cc1 9201039 AHGZBNOPZZPLBP-UHFFFAOYSA-N 400.866 4.841 0 40 HJAB CCc1ccc(NC(=O)c2c(N)c(C(=O)c3cccc(OC)c3)n3ccccc23)cc1 9316826 FGOMWQZAMDHBEF-UHFFFAOYSA-N 413.477 4.576 0 40 HJAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)c1ccc[nH]1 9336607 LQYAZXGAVWIDNB-UHFFFAOYSA-N 408.914 4.815 0 40 HJAB CCCCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)c2ccccc12 11613999 NYXABMBKHQUNEG-UHFFFAOYSA-N 413.495 4.908 0 40 HJAB O=C(Nc1ccccc1F)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 11694433 HABLRCWLTMNBIK-UHFFFAOYSA-N 405.404 4.982 0 40 HJAB Fc1ccc(Cn2nnc3c(SCc4cccc(C(F)(F)F)c4)ncnc32)cc1 11758505 QGKPWGLBKYJMFZ-UHFFFAOYSA-N 419.407 4.720 0 40 HJAB CC(C)C(=O)N1CCC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 12220021 JYFBEKOHCJKCSM-ZDUSSCGKSA-N 422.476 4.839 0 40 HJAB Nc1c(C(=O)Nc2nc3ccccc3s2)sc2nc(-c3ccccn3)ccc12 12360451 CRYAACCEHLAGNO-UHFFFAOYSA-N 403.492 4.803 0 40 HJAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N3CCC[C@H](C)C3)c2c1 12437957 WCUGMSRSCMUPKH-INIZCTEOSA-N 424.566 4.929 0 40 HJAB CCOc1ncccc1C(=O)N(Cc1ccccc1)c1nc2ccc(OC)cc2s1 12569398 XDTFZRMKCRHLNE-UHFFFAOYSA-N 419.506 4.946 0 40 HJAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccccc2-c2nc3ccccc3s2)cc1 12929294 KAAVEBVRIJVXQK-UHFFFAOYSA-N 415.518 4.982 0 40 HJAB O=c1c(C(F)(F)F)cccn1Cc1csc(COc2ccc(Cl)cc2)n1 12981609 LPUSULUNWPDHEI-UHFFFAOYSA-N 400.809 4.604 0 40 HJAB O=c1[nH]c2cc3c(cc2cc1CNc1ccc(Oc2ccccc2)cc1)OCCO3 13561331 NBDPXHRPNNHGMD-UHFFFAOYSA-N 400.434 4.704 0 40 HJAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc1 13871297 KXEIEEJNVDMXJF-QGZVFWFLSA-N 424.570 4.865 0 40 HJAB CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 14184104 VGUWKFSNJSZLHW-UHFFFAOYSA-N 410.543 4.943 0 40 HJAB CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C2CCCCC2)C1 19591399 SWQWAUOXHROACM-SANMLTNESA-N 422.544 4.580 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)C2CCCCC2)ccc1Cl 20107410 DLFCPWXDPYOQQD-UHFFFAOYSA-N 420.962 4.854 0 40 HJAB O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc3nc(SCc4ccccc4)nn3cc21 20796195 BJCNHXJFCBFRMQ-INIZCTEOSA-N 420.925 4.983 0 40 HJAB Cc1csc(-n2c(C)cc(-c3csc(CNC(=O)c4ccccc4)n3)c2C)n1 22195138 PNIHMHMYGGCSGI-UHFFFAOYSA-N 408.552 4.913 0 40 HJAB COc1ccc([C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)NC(C)=O)cc1 22866330 PUUCIQLVGPIQPH-HSZRJFAPSA-N 404.466 4.694 0 40 HJAB O=C(CCC(=O)c1ccc(Cl)s1)OCc1cc(Cl)c2c(c1)OCCO2 26172026 XGECYJYYZHIZEA-UHFFFAOYSA-N 401.267 4.532 0 40 HJAB O=C(CCC(=O)c1cccs1)CCC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 27384256 MWZHJKQGXIRQKT-INIZCTEOSA-N 424.522 4.608 0 40 HJAB COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)c(C)c2)c1 28534635 NDWNWGXFNPIEKP-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB COc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 30864204 IJQXMCLQULKZDL-QZTJIDSGSA-N 418.493 4.592 0 40 HJAB CC[C@@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 30867606 PFCHVVOPVHLOQR-OAQYLSRUSA-N 408.523 4.677 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3ccc(C)c(F)c3)c3c(C)nn(C)c3n2)c1 36616178 BQPFVGLEENGGFK-UHFFFAOYSA-N 404.445 4.652 0 40 HJAB CCc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2cccc(C)c2)cc1 38652905 GCRCNYCGHWVKHZ-UHFFFAOYSA-N 414.552 4.696 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c(Br)c1 40140989 TXSPPPMMVYPHJV-AWEZNQCLSA-N 419.319 4.758 0 40 HJAB O=C(COc1cccc(NC(=O)N[C@H]2CCCc3ccccc32)c1)Nc1ccccc1 71942175 NHPWUVCFOCLVIO-QHCPKHFHSA-N 415.493 4.903 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)c1cccs1 72396526 KJOIHCWVOMSEFF-UHFFFAOYSA-N 409.536 4.813 0 40 HJAB CCC(CC)c1cc(C(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)on1 89943186 WWAMBLXBUUAELL-KRWDZBQOSA-N 416.522 4.792 0 40 HJAB Cc1nc(C)c(C(=O)NCc2sc3nc(-c4ccc(F)cc4)cn3c2C)s1 90593739 XINCBHJQJOLZGC-UHFFFAOYSA-N 400.504 4.514 0 40 HJAB COc1ccc(-c2nc(C3CCN(Cc4ccc(C)o4)CC3)cc3c2ncn3C)cc1 96099981 SLXQDPHNXWECRB-UHFFFAOYSA-N 416.525 4.925 0 40 HJAB O=C1C2=C(C(c3ccc(Cl)cc3)=NCCN2)[C@@H](c2ccccc2)N1c1ccccc1 100085160 NUKBFNTXXDFNTC-XMMPIXPASA-N 413.908 4.775 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 102706086 UTTZDGLCMGGDLF-ACRUOGEOSA-N 422.843 4.530 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cc(C)c(Cl)c(C)c1 218926085 LVXVGPYCTQLDHB-GOSISDBHSA-N 403.906 4.763 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1)c1ccccc1C 223945572 SBIOFEKOYFHDCY-JOCHJYFZSA-N 422.550 4.985 0 40 HJAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccc(Cl)c(C)c1 224541316 JOAFFQLFDUHYBS-LJQANCHMSA-N 403.906 4.535 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCCCCC2)cc1 224903758 DCNMOQOZOVXWDH-PGMHBOJBSA-N 412.555 4.757 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 225510885 PLGHVQAXLWNEEN-XUZZJYLKSA-N 408.586 4.958 0 40 HJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225623099 MMBVSYDTAFZLBV-ROKPMTFOSA-N 404.595 4.967 0 40 HJAB COC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OC)ccc1OCC(C)C 225798229 AVDUKHRBBSRILW-UHFFFAOYSA-N 407.551 4.924 0 40 HJAB O=C(Cc1ccc(O)cc1)N1CCCC[C@@H]1c1ccc(Cc2ccc(F)cc2)nc1 257271075 MWROUNKMQRZYQC-XMMPIXPASA-N 404.485 4.813 0 40 HJAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(Cl)cc(OC)c4OC)OCC[C@@]31C2 257286857 PNIQZHRMSIFAQA-LPFAAMOHSA-N 421.965 4.766 0 40 HJAB COc1cccc([C@]2(O)CC(C)=NN2C(=O)COc2ccc(C3CCCCC3)cc2)c1 408564369 ZJCQCJHQAZHVJQ-RUZDIDTESA-N 422.525 4.575 0 40 HJAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CSCN1C(=O)OCc1ccccc1 408736802 IEGJZPICXLWQBU-MRXNPFEDSA-N 411.310 4.644 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc(Cl)c1O 409054767 BNOBPUQKHNQFME-YBEGLDIGSA-N 405.859 4.694 0 40 HJAB CCn1c(SCc2ccc(F)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 409330793 LZUIHJYLAOHTEM-CYBMUJFWSA-N 418.925 4.874 0 40 HJAB COc1cccc2cc(-c3nc4ccccc4c(=O)n3Cc3ccc(C)cc3)c(=O)oc12 1889295578 BNJFXBFKFDJLBF-UHFFFAOYSA-N 424.456 4.535 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2cccc(Cl)c2)sc2c1CC[C@@H](C)C2 643684 PLCZWDSQLGYQEV-GFCCVEGCSA-N 407.919 4.721 0 40 HJAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2cccc(F)c2)C4)cc1 2122653 PQJRHLSZSOEUNB-UHFFFAOYSA-N 403.409 4.964 0 40 HJAB biogenic C[C@@H](OC[C@@H](O)CNCCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 2654406 FUEIDYCCHGOKMA-ACJLOTCBSA-N 402.749 4.918 0 40 HJAB Ic1ccccc1Nc1ncc(-c2nc3ccccc3o2)cn1 3031006 KHWCMKRRNCIFBO-UHFFFAOYSA-N 414.206 4.633 0 40 HJAB O=C(COc1ncnc2sc3c(c12)CCCC3)Nc1cc(Cl)cc(Cl)c1 3272555 GPDYZFGTOFXXST-UHFFFAOYSA-N 408.310 4.894 0 40 HJAB C[C@@H](OC(=O)c1ccc(Cl)cc1N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3275015 ONKFFUTYLNFOJD-MRVPVSSYSA-N 421.202 4.778 0 40 HJAB CCc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)cc1 4240590 DFWZTFFEGNNQLP-HSZRJFAPSA-N 417.509 4.684 0 40 HJAB CCc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(OC)cc1 4518207 PXYLFOVVGXQTEI-UHFFFAOYSA-N 419.529 4.814 0 40 HJAB CCCC(=O)Nc1ccccc1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1 4734819 SMFGJVXKGRRGSA-UHFFFAOYSA-N 414.502 4.874 0 40 HJAB COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCCC[C@@H]4C)c3N2)c1 5017795 TYPHZDMKCNQLCF-MORSLUCNSA-N 422.451 4.567 0 40 HJAB Cc1ccc(-c2n[nH]c(SCC(=O)N(Cc3ccco3)C3=CCCCC3)n2)cc1 5084544 QNXWMPDBMGAQOV-UHFFFAOYSA-N 408.527 4.952 0 40 HJAB O=C(C[S@](=O)c1ccccc1Cl)Nc1nc(-c2ccc(Cl)cc2)cs1 5368666 HKJREQSXCJMMBB-RUZDIDTESA-N 411.335 4.863 0 40 HJAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(C)cc2C)NC(=O)N1 6046509 DRHAETFTFWLWIK-GOSISDBHSA-N 403.404 4.589 0 40 HJAB COc1ccc(Nc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)s2)cc1 6058422 FEHTZONRLQQIAB-UHFFFAOYSA-N 400.529 4.638 0 40 HJAB Cc1ccc(-n2cnnc2SCC(=O)N[C@H]2CCCc3ccccc32)cc1Cl 6103583 YEARYVAEUSEFPC-IBGZPJMESA-N 412.946 4.515 0 40 HJAB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccccc1 6586241 GIPYIHBFJHDVSM-VVKCQPJDSA-N 404.510 4.876 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)o2)c1C 7645815 QYCUZLMTDNXJHH-ZDUSSCGKSA-N 408.483 4.729 0 40 HJAB COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(-c2ccc(Cl)s2)cs1 7737740 NKPBMRJVFXYRJW-UHFFFAOYSA-N 406.916 4.917 0 40 HJAB O=C(c1ccc2ccccc2n1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 8341215 LBDRHSMCRPPKAA-UHFFFAOYSA-N 402.475 4.915 0 40 HJAB CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc4ccccc4c3)cc12 8765771 FFJVMCHGBGCLAN-UHFFFAOYSA-N 421.474 4.839 0 40 HJAB COc1ccc(-c2nonc2NC(=O)c2oc3cc(C)c(C)cc3c2C)cc1OC 9050308 UOHBMCFLVNQNPL-UHFFFAOYSA-N 407.426 4.678 0 40 HJAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 9205239 RXUQDVYHOMOOEG-SFHVURJKSA-N 422.550 4.534 0 40 HJAB O=C(COCC(=O)Nc1ccc(OCc2ccccc2)cc1)Nc1ccc(Cl)cc1 9669283 ZBHSDSZAFOWHBM-UHFFFAOYSA-N 424.884 4.513 0 40 HJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C)cn2)cc1OC 12536372 GZQJDYMGEFSRCG-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB Cc1noc(C)c1CCC(=O)NCCCCOc1ccc(OCc2ccccc2)cc1 12792974 ZWYRYUGQQXVAPZ-UHFFFAOYSA-N 422.525 4.778 0 40 HJAB Cc1cccc(NC(=O)CN(C)Cn2nc(-c3ccccc3Cl)oc2=S)c1C 13073372 QZNWEMBEOKNQAS-UHFFFAOYSA-N 416.934 4.671 0 40 HJAB CCc1cccc(CC)c1NC(=O)[C@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712476 SGYXGWDUJHKPRK-IBGZPJMESA-N 422.978 4.648 0 40 HJAB O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 13984674 FDKFQXGNIJKQCO-IBGZPJMESA-N 424.497 4.627 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2C)c1 14155056 DYALEHPOIKFFLL-UHFFFAOYSA-N 412.555 4.725 0 40 HJAB COc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 16973673 NHKMAKCLPOXCDP-UHFFFAOYSA-N 416.890 4.630 0 40 HJAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(C)cc1C 17087615 PLMYEOABNXHDOG-UHFFFAOYSA-N 407.333 4.510 0 40 HJAB O=C(Nc1ccc(I)cc1F)c1ccc(Cl)c(Cl)c1 17088386 CUQURTYXHMKDMK-UHFFFAOYSA-N 410.013 4.989 0 40 HJAB Cc1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)c2c(C)nn(-c3ccccc3)c2n1 17093092 YCOBBRZFYHZGIR-UHFFFAOYSA-N 422.492 4.534 0 40 HJAB O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 18195569 QNNHWMHBWTXEDI-MCADVSAISA-N 403.522 4.580 0 40 HJAB O=C(N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 19292888 AYRYYEHYEXSHNL-MAUKXSAKSA-N 424.397 4.929 0 40 HJAB COc1ccc2c(c1)c(CN1CCC(O)(c3ccccc3OC)CC1)cn2C(C)C 19454790 ZEAWTMUBUPQNEU-UHFFFAOYSA-N 408.542 4.723 0 40 HJAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N[C@H](C)c1cc4cc(Cl)ccc4o1)(C3)C2 19458492 LNYIWTOQGXXTKZ-OGSJQDARSA-N 414.933 4.739 0 40 HJAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)s1 19564023 KFNLKSIUWLCNHW-LBPRGKRZSA-N 424.448 4.643 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 20311670 BIBOVCPCOSIHJP-ZGRWHYIRSA-N 419.352 4.618 0 40 HJAB Cc1ccc2nsnc2c1NC(=O)C(C)(C)Oc1ccc(Br)cc1 21146915 VFMXGVBJYMFATI-UHFFFAOYSA-N 406.305 4.558 0 40 HJAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cccc2ccccc12 21636950 JGYLIGPOXGFTBC-QUCCMNQESA-N 401.510 4.961 0 40 HJAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 22111565 DWUHAFWNFLIZOM-CQSZACIVSA-N 422.510 4.673 0 40 HJAB Cc1cc(C)c(S(=O)(=O)Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1C 23125823 REBHBEYPZUAHPM-UHFFFAOYSA-N 410.417 4.655 0 40 HJAB Cc1nc2sc([C@H](c3ccccc3)N3CCC(Cc4ccccc4)CC3)c(O)n2n1 23156782 ZDIXKPQMSXJPMV-NRFANRHFSA-N 418.566 4.849 0 40 HJAB O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(F)c(Cl)c1 27933354 CTSZPHNEYGCQPR-UHFFFAOYSA-N 404.795 4.784 0 40 HJAB Cn1ccnc1-c1sc(NC(=O)Cc2c[nH]c3ccccc23)nc1-c1ccccc1 32894186 IWLGPUKBXYFTLJ-UHFFFAOYSA-N 413.506 4.873 0 40 HJAB CC(=O)c1ccc(NC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 32907280 JXCUNEWRBAEONF-UHFFFAOYSA-N 419.447 4.648 0 40 HJAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc2nsnc2c1 38551330 IDNQUARWQPOXKS-UHFFFAOYSA-N 417.313 4.830 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(Cn3ccnc3C)cc2)sc2c1CCCC2 38857852 JDEGQWJQEQVJAB-UHFFFAOYSA-N 423.538 4.609 0 40 HJAB COc1ccc(CCNc2cc(C)nc3c(C)c(-c4ccc(C)cc4)nn23)cc1OC 40216921 FBYRUPGNMZWRJM-UHFFFAOYSA-N 416.525 4.993 0 40 HJAB CC(=O)Nc1cccc([C@H](C)OC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c1 48309354 MHULTSQGQRHQND-HNNXBMFYSA-N 422.506 4.555 0 40 HJAB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(OC)c(C)c1OC)NC2 55028116 ZZIFCXXKAJOHTN-XMMPIXPASA-N 422.525 4.793 0 40 HJAB Cc1cccc(-n2c(SCC(=O)Nc3ccccc3C)nc3ccsc3c2=O)c1 57487417 JJBKJKBOSMPVTH-UHFFFAOYSA-N 421.547 4.795 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1Cl 58264766 MGOFZQXKHSXMRZ-GOSISDBHSA-N 417.918 4.614 0 40 HJAB Cc1c(C(=O)N2c3ccccc3N(C(=O)OC(C)(C)C)C[C@@H]2C)oc2c1C(=O)CCC2 72305140 GWDPOTNIXXVYEE-AWEZNQCLSA-N 424.497 4.897 0 40 HJAB Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2C(=O)c2cc3c(C)cccc3[nH]2)n1 72372631 GHCXGULNEKFNDG-QFIPXVFZSA-N 412.497 4.691 0 40 HJAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3oc4c(F)cccc4c3C)CC1)O2 72390745 HUSAEDFHUMRZLC-UHFFFAOYSA-N 407.441 4.829 0 40 HJAB O=C(Nc1ccc(NS(=O)(=O)c2ccccc2)c(C(F)(F)F)c1)c1ccccc1 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CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 223374668 XKTBHVMYDCYANX-UHFFFAOYSA-N 420.534 4.561 0 40 HJAB CCCc1ccc(OCCNC(=O)COc2cc(C)c(Br)c(C)c2)cc1 224244981 VIUBEXCIGWHMSU-UHFFFAOYSA-N 420.347 4.592 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccco2)N1c1ccc(Br)cc1 224483378 DCWXVKGRPFRGOS-IRXDYDNUSA-N 400.301 4.614 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1CSc1ccccc1 224654276 LFCMXWOXCMARMN-UHFFFAOYSA-N 406.507 4.729 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccnc1 225009003 IFGXHMVZGYXUNT-XZOQPEGZSA-N 417.582 4.799 0 40 HJAB COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225023594 JWQRKTNZLCHEBY-XZOQPEGZSA-N 418.566 4.796 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 225172343 VVWLLBDYJGFYGJ-DLBZAZTESA-N 418.990 4.764 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2cccc(Cl)c2)CC1 225350275 YKUUMLZDMXECKZ-QHCPKHFHSA-N 412.961 4.725 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCSC2CCCCC2)cc1Cl 225358721 KOLYDHNPJOOPJY-UHFFFAOYSA-N 400.997 4.869 0 40 HJAB O=C(c1cnc(OC2CCOCC2)c(Cl)c1)N(Cc1ccccc1)c1ccccn1 238887318 QEZUKDPVDMPSSB-UHFFFAOYSA-N 423.900 4.535 0 40 HJAB O=C(CCCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@H]21 257199090 SCPFIOQUNAJIQW-DJCWJLACSA-N 417.597 4.912 0 40 HJAB O=C(N1CCC2(CC1)C[C@@H](Oc1ccccc1)CO2)C1(c2ccc(F)cc2)CCCC1 257237599 HHEUMWQNEFPWEP-HSZRJFAPSA-N 423.528 4.867 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(COc3cccc4ccccc34)n2C)c1 408595061 KFSXSFUPNQIBKS-UHFFFAOYSA-N 418.522 4.587 0 40 HJAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1 408609821 SDOPSLGFHDBPPN-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CC1=C(C(N)=O)[C@H](c2cccc(Cl)c2Cl)NC(SCc2cccc(F)c2)=N1 408992991 VLFXFONDXZHENR-KRWDZBQOSA-N 424.328 4.826 0 40 HJAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)CN(C(=O)N2CCCC2)c2ccccc23)c1 585103487 GTGYDZFQNJFRQS-UHFFFAOYSA-N 417.553 4.513 0 40 HJAB Cc1c(C(=O)N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)oc2c(F)cccc12 674820711 GCGNHLAFPZSUBQ-MRXNPFEDSA-N 420.440 4.661 0 40 HJAB COC(=O)C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccc(C(F)(F)F)cc1 1637004470 BVZLOMYHXSWSAF-MRXNPFEDSA-N 424.806 4.874 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nn(-c3ccccc3)nc2c1 846106 LDCMILYOOPBXOD-UHFFFAOYSA-N 413.264 4.745 0 40 HJAB O=C(NCc1cccs1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 865671 SQOWGZOEORXAOR-HOCLYGCPSA-N 406.433 4.535 0 40 HJAB C[C@H]1Cc2cc(-c3csc(NC(=O)Cc4cccs4)n3)ccc2N1C(=O)C1CC1 1366382 CIZBZKPUIUBCBA-ZDUSSCGKSA-N 423.563 4.740 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2c(C)c(C)cc3c2ncn3Cc2ccccc2)cc1 1385927 CDCUHJPTYIIQEH-UHFFFAOYSA-N 405.523 4.811 0 40 HJAB Cc1ccnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(F)cc2)c1 2405303 GDIZMLKSTOTXAZ-HXUWFJFHSA-N 404.372 4.524 0 40 HJAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(C(F)(F)F)cc1 3273715 JPDGDGZIYAAGLC-UHFFFAOYSA-N 417.456 4.973 0 40 HJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(N(CC)CC)cc2)c1C 3349375 ZUUPKLCRAMTDKV-UHFFFAOYSA-N 419.525 4.747 0 40 HJAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c1 3352665 KOTVEECNJHYNNA-UHFFFAOYSA-N 414.534 4.980 0 40 HJAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2cc3c(s2)CCCCC3)CC1 3446233 CQGWXOCTGLRKEA-UHFFFAOYSA-N 403.979 4.675 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2cc(C)ccc2Cl)c1 3556386 PANDSZMTHKTHRO-UHFFFAOYSA-N 416.326 4.552 0 40 HJAB CCOC(=O)CCC(=O)Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12 4162557 JGCGCVUDLPKROE-UHFFFAOYSA-N 414.845 4.620 0 40 HJAB COc1ccc(-c2csc(NC(=O)CSc3ccc(C)cc3)n2)c(OC)c1 4496462 FWZDXTDFZWMYAB-UHFFFAOYSA-N 400.525 4.867 0 40 HJAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)o2)cc1 5170153 NPDGFNDSKBFXBT-MGPUTAFESA-N 423.538 4.810 0 40 HJAB CC(C)(C)c1ccc(C(=O)N2CCN(c3nc4c(F)cc(F)cc4s3)CC2)cc1 5182104 HEXKTWOFOZBRHY-UHFFFAOYSA-N 415.509 4.834 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)c4c(C)nn(C(C)=O)c4C[C@H]32)C1 5534120 DLCTVKXJNPOKCT-QKONGSNMSA-N 412.574 4.840 0 40 HJAB COc1cccc([C@H]2c3cc4c(cc3O[C@H](Nc3ccccc3)[C@H]2C)OCO4)c1O 5551708 BEOMZXKHEQYFOO-FKIJXQQXSA-N 405.450 4.728 0 40 HJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 6760268 UJMCAFVKOZIVTG-QMMMGPOBSA-N 413.326 4.540 0 40 HJAB CCc1ccc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 7573688 GIWGXIKOPRUPMU-UHFFFAOYSA-N 400.400 4.730 0 40 HJAB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2 7989935 JBAQREOYBHLJFL-GOSISDBHSA-N 404.491 4.563 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c(C)c1 8499787 ZWRUQSQJIJLVEO-IBGZPJMESA-N 402.494 4.639 0 40 HJAB Cc1cccc(NC(=O)[C@H](C)Sc2nc3sccc3c(=O)n2-c2ccccc2)c1 8719685 BUNIGDRKESHYQY-HNNXBMFYSA-N 421.547 4.875 0 40 HJAB O=C(CCCNC(=O)c1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1 9417467 GSNQJOMNKYFDLA-UHFFFAOYSA-N 406.913 4.756 0 40 HJAB CC(C)n1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1cc2ccccc2o1 9595084 FOIGDJJSOYAIJP-GFCCVEGCSA-N 413.528 4.848 0 40 HJAB CC(C)[C@@H](NC(=O)N(C)Cc1nc2ccccc2s1)c1ccc2c(c1)OCCO2 9792048 KOJBLUUAHUMJSD-OAQYLSRUSA-N 411.527 4.606 0 40 HJAB CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccc(-c3ccccc3)cc2)C1 12365806 IWKZSDWOUQINCP-GOTSBHOMSA-N 405.567 4.900 0 40 HJAB CCC(=O)OC[C@@]12CO[C@@H](c3ccccc3OC(=O)CC)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C 12660496 SILOCWNFXQCZOK-NLLLALBNSA-N 400.515 4.861 0 40 HJAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 12742933 IVEKFTXKOVIUJF-PZJWPPBQSA-N 424.497 4.524 0 40 HJAB O[C@@H](COCc1ccccc1Cl)CSc1nnc(-c2ccc(Cl)cc2)o1 12890612 IAJPEZNOOQNGJQ-HNNXBMFYSA-N 411.310 4.713 0 40 HJAB Cn1c(-c2ccncc2)nn(CN2CCc3sccc3[C@@H]2c2ccccc2)c1=S 14201254 CWNVNMMEDFEETJ-FQEVSTJZSA-N 419.579 4.680 0 40 HJAB O=C(CCNC(=O)c1ccccc1Cl)O[C@H](c1cc(F)cc(F)c1)C(F)(F)F 14241882 POGTYOKRLOFHJA-MRXNPFEDSA-N 421.749 4.585 0 40 HJAB Cc1ccc(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)s1 19216870 CQCDJNCDDGTGCM-UHFFFAOYSA-N 419.554 4.503 0 40 HJAB CC(C)c1nc(C2CCN(C(=O)c3ccccc3F)CC2)ncc1-c1ccncc1 19451548 SVLYEXDXZVYQRM-UHFFFAOYSA-N 404.489 4.821 0 40 HJAB CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(CC2CCCCC2)CC1 19700165 AHRMSKXCKJRMEV-UHFFFAOYSA-N 405.586 4.700 0 40 HJAB O=C(Cc1ccc(Cl)cc1)NC[C@@H](c1ccsc1)N1CCc2ccccc2C1 22766026 VAPLPJYMIYOKKA-QFIPXVFZSA-N 410.970 4.860 0 40 HJAB C[C@@H](NC(=O)Cc1cc(O)nc(SCc2cccc(Cl)c2)n1)c1ccccc1 23138289 OTMGMEYZMOLEJO-CQSZACIVSA-N 413.930 4.548 0 40 HJAB O=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1cc(Cl)ccc1Cl 25946757 LPEAWNDMZQMUGY-UHFFFAOYSA-N 405.325 4.917 0 40 HJAB COc1ccc(C(=O)Nc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)cc1 26504673 UHXJWBAUTAUUBT-GOSISDBHSA-N 402.494 4.699 0 40 HJAB Cc1c(C(=O)N(Cc2cccs2)C2CC2)cnn1-c1ccc(Br)cc1 30301804 BELJPTPVTVGQRK-UHFFFAOYSA-N 416.344 4.810 0 40 HJAB Cc1ccc(C)c(-n2ncc3c2N=C(O)C[C@@]32C(=O)N(CC(C)C)c3ccccc32)c1 32094255 LLPAUDHUEVJMLT-VWLOTQADSA-N 414.509 4.770 0 40 HJAB Cc1ccc(S(=O)(=O)Oc2ccc(C)c3c2C(=O)C[C@@H]3C)c(Br)c1 32770736 OHKWCUZNDVAJRR-LBPRGKRZSA-N 409.301 4.524 0 40 HJAB CC(=O)Nc1ccc(OC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 32988076 GWGUJDLOBZJJSD-UHFFFAOYSA-N 417.490 4.838 0 40 HJAB Cc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)cc1C 33089193 NRMIOTHVDNEFON-ZDUSSCGKSA-N 411.299 4.750 0 40 HJAB COc1ccc(Cn2cnc3c4ccccc4n(Cc4ccc(C)cc4)c3c2=O)cc1 35400210 SVYXYCBEHWNFPI-UHFFFAOYSA-N 409.489 4.765 0 40 HJAB CCOC(=O)c1ccc2nc(NC(=O)c3c(C)noc3-c3ccccc3)sc2c1 35671397 WPLIQDHOYMAMOL-UHFFFAOYSA-N 407.451 4.689 0 40 HJAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)N(Cc1ccccc1F)C1CC1 40131322 PPISBTSGBHBVAN-UHFFFAOYSA-N 413.443 4.640 0 40 HJAB COc1ccccc1-n1cnn(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c1=S 40149157 SJNQCYSJDINZMQ-IBGZPJMESA-N 400.523 4.885 0 40 HJAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4cc(CC)ccc4o3)c2)C1 45887599 STKZYZMKQWJOFM-CQSZACIVSA-N 412.873 4.627 0 40 HJAB O=c1c2ccccc2c(-c2nc(-c3cccc(F)c3)no2)nn1-c1ccc(Cl)cc1 64949891 NOOQVCWZQYBVOW-UHFFFAOYSA-N 418.815 4.895 0 40 HJAB CCOc1ccccc1/N=c1\oc2c(OC)cccc2cc1C(=O)NCc1ccco1 67298957 GVYXBQKBZRYIDQ-LCUIJRPUSA-N 418.449 4.596 0 40 HJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCNC(=O)OCc1ccccc1 71844203 YKWMEDUVWNNPKE-XZOQPEGZSA-N 408.542 4.878 0 40 HJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl 71844421 RZAMSLQVDCEDSR-YLJYHZDGSA-N 419.352 4.908 0 40 HJAB COc1ccc(-c2cc(N3CCC[C@@H](C(=O)Nc4cccc(C)c4C)C3)ncn2)cc1 77191908 BHUJDRLQODACBS-HXUWFJFHSA-N 416.525 4.624 0 40 HJAB O=C1Oc2ccccc2[C@@H]2c3sc(=O)[nH]c3S[C@@H](c3ccc(Cl)cc3)[C@H]12 96306213 IPSHIDQQUQICMR-ZNMIVQPWSA-N 401.896 4.604 0 40 HJAB C[C@@H](NC(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1)c1cccc(C(F)(F)F)c1 96925221 IPNYFKABAUBCKQ-LKBVRNOZSA-N 420.412 4.520 0 40 HJAB COc1ccccc1C(=O)Nc1c(NCc2ccccc2)c2ccccc2oc1=O 101095167 FQNCKARQTABWHW-UHFFFAOYSA-N 400.434 4.666 0 40 HJAB COc1cccc(-c2noc3nc(C)cc(C(=O)N[C@H](C)[C@@H]4C[C@@H]5CC[C@@H]4C5)c23)c1 102448417 VHUMOFQGOJFRHK-NNFUDEMPSA-N 405.498 4.761 0 40 HJAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43CO)N2C1 118936396 NMFWDNZLNHRNAT-VKROHFNGSA-N 413.646 4.627 0 40 HJAB C[C@H](Nc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)O)c1ccccc1 217610636 IKXVPCRAVNLGBP-DLBZAZTESA-N 424.522 4.597 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 222459295 SYMROOQSNUQEBK-JOCHJYFZSA-N 412.599 4.560 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4nccs4)c3C)N21 222675177 FALINYJHFWFHQM-ATZDWAIDSA-N 409.584 4.925 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C 223267747 XHPFFLGUEPRJIR-JOCHJYFZSA-N 424.585 4.713 0 40 HJAB COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1COc1ccc(C)cc1 224127157 FZIFWMNCLFCGGE-UHFFFAOYSA-N 416.521 4.545 0 40 HJAB CCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1COc1ccccc1 224366203 BMRYIGYVGOTTNN-UHFFFAOYSA-N 416.521 4.627 0 40 HJAB O=C(NCCc1ccc(F)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 224544763 ABCABDIGKWLXMM-UHFFFAOYSA-N 409.332 4.703 0 40 HJAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 224562392 AAFQHEKDFRHVTK-SFTDATJTSA-N 406.555 4.824 0 40 HJAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 224620987 DWDJREMLMBORBV-YADHBBJMSA-N 404.539 4.881 0 40 HJAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)C 225112982 SWKMWYGMGWSQRX-HXUWFJFHSA-N 421.368 4.868 0 40 HJAB Cc1cccc(C2(C(=O)Nc3ccc(OCC(=O)N4CCCCC4)cc3)CCCC2)c1 225509306 UENQCIAKIOXFFA-UHFFFAOYSA-N 420.553 4.837 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 225577232 RHGBLRXALBUAEH-GGAORHGYSA-N 424.585 4.713 0 40 HJAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(OC)cc1 225583466 LJNSICWJMBKQJA-JOCHJYFZSA-N 418.940 4.967 0 40 HJAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1 225968642 ABRIWYNBXGBJPJ-UHFFFAOYSA-N 410.495 4.517 0 40 HJAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)c1csc(-c2ccccc2)n1 238878393 OQCGGHKGJAOPKY-HXUWFJFHSA-N 412.561 4.599 0 40 HJAB O=C(N1CCOC[C@H](Cc2cncc3ccccc23)C1)C1(c2ccccc2)CCCC1 257236966 HEPUPDHUNYVYIL-OAQYLSRUSA-N 414.549 4.764 0 40 HJAB CC(C)(C)CC(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)CC1 257303116 SFVCYHRGEHDDGP-UHFFFAOYSA-N 410.533 4.566 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC2CCCCCC2)ccc1Cl 408545278 JVXZKZFZXNLEGF-UHFFFAOYSA-N 420.962 4.902 0 40 HJAB O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1C(=O)N1CCCCC1 408562597 CZWGGXONORAKJS-UHFFFAOYSA-N 420.937 4.977 0 40 HJAB O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408662311 RHCBLHKJGYRMED-TUUBTQOTSA-N 420.295 4.784 0 40 HJAB Cc1ccc(Cl)cc1-n1nc(C(=O)NCc2ccccc2)nc1-c1ccc(F)cc1 408692128 DYPZOUNLGPDAMO-UHFFFAOYSA-N 420.875 4.965 0 40 HJAB C[C@H](c1ccccc1)N1C[C@]2(COCCN(c3ccc4ccccc4c3)C2)CC1=O 585104120 JBNGDROJXZCCIX-IBVKSMDESA-N 400.522 4.656 0 40 HJAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3[C@@H](C)Cc4cc(F)ccc4[C@H]3C)C2)c1 1544830431 VRDNYCFCYLGGIG-ZCNNSNEGSA-N 422.544 4.829 0 40 HJAB COC(=O)c1sc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(C(=O)OC)c1C 673346 XVMVZUJEIOWHEF-FMIVXFBMSA-N 415.511 4.579 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)Nc1ncnc2sc3c(c12)CCCC3 751982 BLFYQRXKJPWDFX-UHFFFAOYSA-N 408.310 4.894 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 863687 XCHAXAUTHCAGNU-UHFFFAOYSA-N 416.506 4.679 0 40 HJAB CC(=O)c1cccc(NC(=O)CSc2nnc3c(C)cc4ccc(C)c(C)c4n23)c1 903135 FFKDRILUHMJCTG-UHFFFAOYSA-N 418.522 4.741 0 40 HJAB C[C@@H](C(=O)OCc1ccccc1)n1cnc2scc(-c3ccc(F)cc3)c2c1=O 956558 CTADFXGDHQXBIL-AWEZNQCLSA-N 408.454 4.569 0 40 HJAB COc1ccccc1/N=c1\scc(-c2ccc(Br)cc2)n1CCCO 2102231 BSKUHEQMYKFAQT-VZCXRCSSSA-N 419.344 4.603 0 40 HJAB CC[C@@H](COC(=O)Nc1ccccc1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1 2266335 OEOUKJYIXQKSIE-HKUYNNGSSA-N 404.919 4.941 0 40 HJAB O=C(NCc1ccccc1Cl)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 2769306 QJKSEPJSWQPIOF-UHFFFAOYSA-N 412.827 4.917 0 40 HJAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1cccc(Br)c1 2963414 JAPCSLKCTRZMJY-BEFAXECRSA-N 419.344 4.782 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1OCc1ccc(F)cc1 3248086 ALNIXPXEHKRQAC-KRWDZBQOSA-N 419.452 4.539 0 40 HJAB CCOc1cc(C(=O)Nc2ccc(F)cc2Cl)cc(Br)c1OC 3330874 AWHIKKGBECPOOT-UHFFFAOYSA-N 402.647 4.901 0 40 HJAB O=S(=O)(NCCCc1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1 3765544 CXIMSIULPIATOA-UHFFFAOYSA-N 422.525 4.740 0 40 HJAB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccccc1F 4656510 OYTYYCZEJMCWLT-CAZKKTPXSA-N 403.840 4.573 0 40 HJAB COc1ccc(CCNc2ncc3c(n2)C[C@H](c2cccc(Cl)c2)CC3=O)cc1 4741301 VYOBORMSNLOFTJ-KRWDZBQOSA-N 407.901 4.706 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1CC(C)C 4860555 HNGQAJSEHROSIX-UHFFFAOYSA-N 414.531 4.632 0 40 HJAB CCCCc1ccc(-n2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)cc1 5066183 UVFQCPVVUYDNQA-UHFFFAOYSA-N 415.541 4.884 0 40 HJAB CCOc1ccc(-c2cn3c(CC(=O)N4c5ccccc5C[C@H]4C)csc3n2)cc1 5146982 AWHHEGMARFOWOH-MRXNPFEDSA-N 417.534 4.982 0 40 HJAB CCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1 5219760 YTYAKTQYQSJGFX-UHFFFAOYSA-N 404.923 4.686 0 40 HJAB O=C(COc1ccc(Br)cc1CO)Nc1ccccc1-c1ccccc1 5468450 UQQSJCVZVLJCAQ-UHFFFAOYSA-N 412.283 4.626 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N(C)CC(=O)Nc1ccccc1C(F)(F)F 8151889 ZHGVGXJBOXHRLK-AWEZNQCLSA-N 417.431 4.637 0 40 HJAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3cccc(Cl)c3)o2)c(OC)c1 8265398 TUAQDLJAOHSVCN-NSHDSACASA-N 404.875 4.771 0 40 HJAB COCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 8469066 UUOVAHJTACCNAY-UHFFFAOYSA-N 404.721 4.970 0 40 HJAB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 8710581 GJTLXKGMMKEKIS-NEPJUHHUSA-N 424.328 4.638 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3O)n2CC(C)C)c1 9095822 VLFUEYDVUFGNJB-UHFFFAOYSA-N 410.543 4.654 0 40 HJAB O=C(CSc1nc2cc(Br)cnc2[nH]1)Nc1cccc2ccccc12 9110674 OSAAUSQFAXQAFF-UHFFFAOYSA-N 413.300 4.604 0 40 HJAB Cc1ccc(NC(=O)Nc2nc(C(=O)NCCc3ccc(Cl)cc3)cs2)cc1 9318157 LUBRXKZSTWIPCD-UHFFFAOYSA-N 414.918 4.721 0 40 HJAB Cc1cc(C(=O)CCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c(C)s1 9481780 IYXMTRLMVQVUPI-UHFFFAOYSA-N 422.554 4.951 0 40 HJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 9485900 BNNLURYNOYCVSI-YOEHRIQHSA-N 412.820 4.567 0 40 HJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10445896 PJOYMGGXEDPJIY-GOSISDBHSA-N 408.542 4.629 0 40 HJAB COc1ccc(NC(=O)CCc2csc(NC(=O)c3cccs3)n2)cc1Cl 11835240 UQBRMMSZYZUIIT-UHFFFAOYSA-N 421.931 4.690 0 40 HJAB O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)CCCN2C(=O)c1cccnc1 11999066 OFIQUDCGMDXMDB-UHFFFAOYSA-N 406.873 4.972 0 40 HJAB COc1cc(/C=C/C2=CCN(C)CC2)ccc1OCC(=O)Nc1cccc(Cl)c1 12143031 AFNHDJKVHVAVHV-VOTSOKGWSA-N 412.917 4.641 0 40 HJAB CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CC=C(c4ccc(F)cc4)CC3)ccc21 12291395 IPIPAPKIFPXDQE-RUZDIDTESA-N 422.544 4.584 0 40 HJAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)COc3ccccc3C)n2)cc1 12441909 CDRDQBRYPXLLKK-UHFFFAOYSA-N 418.522 4.939 0 40 HJAB FC(F)(F)c1cccc(-c2noc(CSc3nncn3-c3ccccc3)n2)c1 12536640 WMEDCTLUGPNJMR-UHFFFAOYSA-N 403.389 4.628 0 40 HJAB CC(C)C[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1 12885351 JEFIPODFFFCMGK-XXFRDUSWSA-N 404.554 4.842 0 40 HJAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(Cc1ccc(C(=O)Nc3ccccc3)cc1)C2=O 12975773 XAVWJXQTTYTAGF-CRICUBBOSA-N 419.525 4.576 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 13013824 XMLSMIJTZAQZBH-HDICACEKSA-N 410.514 4.506 0 40 HJAB Cc1cc(CSc2ccccc2C(=O)OCC(=O)c2ccc(F)cc2F)on1 16542864 QKINNVVJMKASOS-UHFFFAOYSA-N 403.406 4.593 0 40 HJAB Cc1nc2ccc(F)cc2cc1C(=O)Nc1nnc([C@@H](C)Oc2ccccc2)s1 19718109 INQUHKJLERQSBO-CYBMUJFWSA-N 408.458 4.926 0 40 HJAB Cc1ccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)cc1C 19927817 UKMUVNCHRPNGKQ-UHFFFAOYSA-N 417.332 4.582 0 40 HJAB O=C(Cn1c(-c2ccccc2)nc2sc3c(c2c1=O)CCCC3)Nc1ccccc1 19996377 SCYVJEPRPAFYCC-UHFFFAOYSA-N 415.518 4.643 0 40 HJAB CC(C)c1nnc(SCC(=O)N(C)Cc2ccc(Cl)s2)n1Cc1ccco1 29805606 VFBFCFITQWCNOZ-UHFFFAOYSA-N 424.979 4.508 0 40 HJAB O=C(NCc1cccc(Oc2ccccc2)c1)C1CCN(C(=O)c2ccsc2)CC1 32362747 DKYGZWTYEJYFET-UHFFFAOYSA-N 420.534 4.709 0 40 HJAB Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 32593545 AGDQJMUCAPURLA-UHFFFAOYSA-N 409.385 4.692 0 40 HJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 32622303 WIQKITBGQCCKTI-OAHLLOKOSA-N 403.413 4.949 0 40 HJAB O=C(COc1ccccc1-c1noc(-c2cccc(Cl)c2)n1)N1CCCCCC1 33325276 XMKRDZCCNYUHJT-UHFFFAOYSA-N 411.889 4.838 0 40 HJAB Cc1nc2ccccc2n1CC1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 36708727 BQFVVODTQOSOJB-UHFFFAOYSA-N 401.432 4.916 0 40 HJAB CC(=O)Nc1ccc(F)c(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)c1 36717049 NGGRZPDRHKXRKI-UHFFFAOYSA-N 415.515 4.678 0 40 HJAB COc1cc(Nc2c(C(=O)N3CCC[C@@H](C)C3)cnc3nc(C)ccc23)cc(OC)c1 49005404 RPHXZWDVUSFURS-OAHLLOKOSA-N 420.513 4.571 0 40 HJAB O=C(Nc1cccc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1)NC1CC1 56749008 NXMZNJAPNXSYET-UHFFFAOYSA-N 418.472 4.520 0 40 HJAB COc1ccc([C@@H](NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 58158045 DYZQQHXIDHBYBB-XDHUDOTRSA-N 408.929 4.905 0 40 HJAB Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)C[C@@H]2C)c1 61997603 SAOYGWVUOAMNQH-AZFBBSACSA-N 422.613 4.820 0 40 HJAB biogenic COc1ccc(CC(=O)N2CCC(c3cccc(Cc4cccc(F)c4)n3)CC2)cc1 72349578 LSLFNHYTKJQNSX-UHFFFAOYSA-N 418.512 4.769 0 40 HJAB COc1cccc([C@H]2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)c1 89632093 IEKNDCLJILSAOZ-XMMPIXPASA-N 420.534 4.852 0 40 HJAB Cc1sc(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)nc1-c1ccc(Br)cc1 95447020 AIFWEESVMZWMJB-MEBBXXQBSA-N 407.333 4.825 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(F)c(Cl)c2)S1 96118458 NEYDNDXKHZZWSU-WBMJQRKESA-N 409.914 4.985 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1Cl 96957112 FOANQAVZPMKTDD-UHFFFAOYSA-N 400.205 4.822 0 40 HJAB CCOc1ccc(/N=c2/scc(-c3ccc4c(c3)NC(=O)CO4)n2C2CC2)cc1 105756814 GJGQUDVJXZZOAA-GHVJWSGMSA-N 407.495 4.514 0 40 HJAB CN1CCN(c2ccc(NC(=O)CSCc3c(Cl)cccc3Cl)cc2)CC1 113932984 DSAJLZCRUMQTHF-UHFFFAOYSA-N 424.397 4.617 0 40 HJAB CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 223189000 YGFFSUAEGAIAJO-RUZDIDTESA-N 422.544 4.792 0 40 HJAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C 223417496 RVUSRTZKKYHUDH-DHIUTWEWSA-N 420.582 4.701 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1cccc2ccccc12 223767105 KMSHZVDUJHHMRB-SFHVURJKSA-N 422.956 4.979 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(N(CC)S(=O)(=O)c3ccccc3)cc2)cc1 224355050 RFBRKGIPVLVHGH-UHFFFAOYSA-N 424.522 4.553 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 224699314 LVJHDXYVLVTLOB-GOSISDBHSA-N 400.950 4.525 0 40 HJAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)N[C@H](C)CC)cc1 225450449 VAUASSKOZWQDQB-NHCUHLMSSA-N 408.586 4.556 0 40 HJAB S=C(NCc1nc(-c2cccs2)no1)Nc1ccc(OC2CCCC2)cc1 225827648 OGTINXDLNNVBAV-UHFFFAOYSA-N 400.529 4.606 0 40 HJAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2cccnc12 225876419 CFGTTYMMHTYFDY-UHFFFAOYSA-N 410.901 4.974 0 40 HJAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(C[C@H](C)c2ccccc2)C1 247931198 FXAKAGBHVQPKDR-KDYSTLNUSA-N 413.565 4.533 0 40 HJAB CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCCN(Cc4ccc(C(=O)O)cc4)[C@H]3C[C@@H]21 257232531 GLGQSJJXKLCLQI-BAMDZGJYSA-N 407.510 4.667 0 40 HJAB O=C(O)CN(CCCc1ccccc1)C(=O)c1cccc(OCc2cccc(F)c2)c1 257233746 GQOCUXCKMSOZJM-UHFFFAOYSA-N 421.468 4.564 0 40 HJAB O=C(CN1CCC(c2ccc(Cc3ccccc3F)cn2)CC1)Nc1ccc(F)cc1 257322934 WIBWFZSEHRRKKY-UHFFFAOYSA-N 421.491 4.769 0 40 HJAB O=C1N[C@@H](c2cccc(Br)c2)Nc2c1sc(=S)n2-c1ccccc1 408735176 LBNVMHPKDMWYLJ-AWEZNQCLSA-N 418.341 4.885 0 40 HJAB COc1ccc(NC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)cc1OC 500636883 UMZKJLMXKSQBOH-UHFFFAOYSA-N 417.509 4.588 0 40 HJAB O=C(C[C@@H](CN1Cc2ccccc2C1=O)c1ccc(Cl)cc1)N1CCCCCC1 1565525060 ZGLFBGJBYGUMHS-FQEVSTJZSA-N 410.945 4.872 0 40 HJAB O=C(Nc1cccc(Cl)c1)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1775974338 XWBSSCUKFOJINY-GJZGRUSLSA-N 409.715 4.699 0 40 HJAB CC(C)(C)CC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccccn4)n3)ccc21 1355509 OGWKLEFMCBJJPF-UHFFFAOYSA-N 420.538 4.783 0 40 HJAB Cc1ccccc1-n1c(C)nc2c(Br)cc(Br)cc2c1=O 2264331 CJACSOIWUCGWST-UHFFFAOYSA-N 408.093 4.528 0 40 HJAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)NCCC1=CCCCC1 2625307 QDNIJCBWQQJLOC-AWEZNQCLSA-N 404.967 4.623 0 40 HJAB O=C(Nc1cc(Br)c(O)c(Br)c1)c1ccccc1Cl 3076678 JIJBJFIYBIXXLL-UHFFFAOYSA-N 405.473 4.823 0 40 HJAB Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1Cc1ccco1 3338170 VSOKOVOZXXQLBU-UHFFFAOYSA-N 416.271 4.548 0 40 HJAB CC1(C)OC(c2cccc(NC(=O)c3cncc(Br)c3)c2)OC1(C)C 3625044 QBHASJQQAWBZNW-UHFFFAOYSA-N 405.292 4.699 0 40 HJAB Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 4089663 ZJKKGLPQMYJCSH-UHFFFAOYSA-N 421.360 4.980 0 40 HJAB COC(=O)C1=C(C(=O)OC)[C@H](c2ccccc2)N(c2ccccc2)[C@H]1c1ccccc1 4115767 POQQDNGGYUNLCD-ZEQRLZLVSA-N 413.473 4.632 0 40 HJAB Cc1ccc(C)c(C(=O)C[C@]2(O)C(=O)N(CCCc3ccccc3)c3ccccc32)c1 4555124 JCRIKDZHBIGPCH-HHHXNRCGSA-N 413.517 4.743 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2OC)c(OC)c1 4616875 BXEJTVFSQKSIHC-SQJMNOBHSA-N 416.477 4.955 0 40 HJAB CCCCCC(=O)Nc1c(-c2ccc(OC)c(OC)c2)c(=O)c2ccccc2n1C 5021731 GIUNVBOLEGIXLR-UHFFFAOYSA-N 408.498 4.742 0 40 HJAB O=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc2ccccc2n1 5079609 PYDDDEKNTMIFNQ-QFIPXVFZSA-N 400.409 4.911 0 40 HJAB COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)cc1OC 5246166 DZUYAANTVABFAJ-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)N1CCC(Cc2ccccc2)CC1 6048696 XHTNWFHRHOSSQI-UHFFFAOYSA-N 423.528 4.662 0 40 HJAB Cc1cccc(NC(=O)COC(=O)c2oc3ccc(Br)cc3c2C)c1C 6790380 MPJOKYCAMYYIAT-UHFFFAOYSA-N 416.271 4.916 0 40 HJAB C[C@H](Sc1ncccn1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 6913147 GAANEBQMOVUDEK-SUMWQHHRSA-N 412.902 4.582 0 40 HJAB COc1ccc(Nc2nc(Nc3ccc(OC)c(Cl)c3)nc3nccnc23)cc1 9074482 WWUIQFFHZXTTCG-UHFFFAOYSA-N 408.849 4.578 0 40 HJAB COc1cc2c(cc1OC)CN(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC2 9134815 XCHNTWVVVYYLDG-UHFFFAOYSA-N 414.811 4.966 0 40 HJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)C(F)F)cc1 9442893 MKEJTCYHDBGMGZ-UHFFFAOYSA-N 413.751 4.607 0 40 HJAB O=C1NCCCC[C@H]1Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 10990276 VRDGKOMKSFMEOV-QGZVFWFLSA-N 412.540 4.835 0 40 HJAB O=C(Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)c1ccccc1F 11613709 BCOKTWUQHKSWSL-UHFFFAOYSA-N 415.453 4.911 0 40 HJAB CN(C)CCN(C(=O)CCSc1ccc(F)cc1)c1nc2c(F)cccc2s1 12342181 GBYFZDISNBPKSL-UHFFFAOYSA-N 421.538 4.652 0 40 HJAB O=C(NCCCCOc1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12575988 RWNKYTPIQJQDLV-OAQYLSRUSA-N 410.514 4.554 0 40 HJAB O=C(Nc1ccccc1)C1CCN(C(=O)c2cccnc2Sc2ccccc2)CC1 12780353 UQEQNIPTPVUBEO-UHFFFAOYSA-N 417.534 4.724 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(Cl)cc1F 13012910 SLZKMCWENNBSDY-UHFFFAOYSA-N 402.775 4.599 0 40 HJAB COc1ccc(-c2nc(C)c(C(=O)NCCc3ccc(Cl)cc3)s2)cc1OC 13627555 GBZKMOJZTUOKCP-UHFFFAOYSA-N 416.930 4.762 0 40 HJAB CC(C)Cc1cc(-c2nnc3sc(COc4ccc(Cl)cc4Cl)nn23)n[nH]1 13691172 OJSJCMJQRIEVEG-UHFFFAOYSA-N 423.329 4.660 0 40 HJAB CCC(CC)c1nnc(NC(=O)C2=NN(c3ccc(C)c(Cl)c3)C(=O)CC2)s1 14775067 XRJHSMFQCPVKGS-UHFFFAOYSA-N 419.938 4.525 0 40 HJAB CCOC(=O)c1sc2ncnc(Oc3ccc4c(CC)cc(=O)oc4c3)c2c1C 15166657 JEAWFZPLOQFESQ-UHFFFAOYSA-N 410.451 4.638 0 40 HJAB COc1ccccc1-c1cc(C(=O)N(Cc2ccccc2)Cc2cccc(C)n2)[nH]n1 19236115 DRMSNBSHGVFPQO-UHFFFAOYSA-N 412.493 4.631 0 40 HJAB Cc1cccn2c(NC(C)(C)C)c(C3CCN(C(=O)c4cc(C(C)C)on4)CC3)nc12 19237595 OGBVPPFPBVNPCG-UHFFFAOYSA-N 423.561 4.984 0 40 HJAB Cc1ccc(-c2ccsc2C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 19357584 BIHOQTCRJWKDGY-UHFFFAOYSA-N 410.882 4.742 0 40 HJAB Cc1nc([C@H]2CCN(Cc3ccc(F)cc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19753202 CVVBBSGWZFXDSW-KRWDZBQOSA-N 424.907 4.819 0 40 HJAB COc1cccc(-c2nnc(CSc3nnc(-c4ccccc4Cl)o3)o2)c1 19928118 AJLLGACBLLVJBH-UHFFFAOYSA-N 400.847 4.741 0 40 HJAB COc1ccccc1/C=C(\C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 20390025 WBRWDDWQCFCLEO-QQTULTPQSA-N 412.533 4.580 0 40 HJAB Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(F)cc1)C3 20671465 TWNHWWRUSMQQEG-KRWDZBQOSA-N 418.497 4.777 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NCc1cccc(C(F)(F)F)c1 21872834 BVZYNEUNXZUXGW-UHFFFAOYSA-N 401.432 4.757 0 40 HJAB Cc1ccccc1-c1ccc(N2CCC(C(=O)N3c4ccccc4C[C@@H]3C)CC2)nn1 22493775 CTLUZUGOZRMCDL-IBGZPJMESA-N 412.537 4.646 0 40 HJAB C[C@@H]1CCc2nc(NC(=O)c3ccccc3OCc3cn4ccccc4n3)sc2C1 25280196 BRIKJZSKDPTGOF-OAHLLOKOSA-N 418.522 4.747 0 40 HJAB Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@H](c1ccccc1OCc1ccccn1)N3 25308824 UPJQMVQUGKPITF-OAQYLSRUSA-N 416.506 4.741 0 40 HJAB COc1ccccc1OCC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 31182682 UTVBPAQEUGJOHG-UHFFFAOYSA-N 408.401 4.855 0 40 HJAB N#C/C(=C\c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 32788454 JPYGGSUNNWNCJN-IZZDOVSWSA-N 406.623 4.556 0 40 HJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc(F)cc1Br 32895258 FOCVJVWAMPYZLL-UHFFFAOYSA-N 412.209 4.605 0 40 HJAB CCOc1ccc([C@@H](NC(=O)CCCNC(=O)c2ccccc2)c2ccccc2)cc1 32914831 JYWMPERTMLPUJA-VWLOTQADSA-N 416.521 4.501 0 40 HJAB CCOC(=O)c1cccc(Nc2c(-c3ccc(O)c(OC)c3)nc3cc(C)ccn23)c1 35616399 NDYFOVUFDAMHIY-UHFFFAOYSA-N 417.465 4.944 0 40 HJAB COC(=O)c1ccc(-c2nc3ccc(C)cn3c2Nc2cc(OC)ccc2OC)cc1 35616405 ZVMFRTFZPGNRGS-UHFFFAOYSA-N 417.465 4.857 0 40 HJAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 35684684 VLZPBGAOBOEHAY-MRXNPFEDSA-N 416.359 4.620 0 40 HJAB Cc1ccc(-n2c(C)nc3nc(N4c5ccccc5C[C@H]4C)[nH]c(=O)c3c2=S)cc1 40386915 SMQPVAKXAVIERP-CQSZACIVSA-N 415.522 4.538 0 40 HJAB Cc1cccc(CN2CCC(NC(=O)c3cccc4c5c([nH]c34)CCCC5)CC2)c1 46865207 ZYOINBDLAVSLOG-UHFFFAOYSA-N 401.554 4.750 0 40 HJAB C1CCC2(CC1)OC[C@H]([C@@H]1OC3(CCCCC3)O[C@@H]1[C@H]1COC3(CCCCC3)O1)O2 64427920 WGMZNGZBEGHRHH-NCYKPQTJSA-N 422.562 4.582 0 40 HJAB COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)cc1Cl 67293395 KFZAJGLFIFSIHX-LVWGJNHUSA-N 421.840 4.680 0 40 HJAB O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1ccc(F)c(Cl)c1 67299272 ZHBMJKLVWMYWAF-DAFNUICNSA-N 412.804 4.686 0 40 HJAB CC(C)C(=O)N1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 72391347 SZZPMXINWGCCES-OAQYLSRUSA-N 401.514 4.992 0 40 HJAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 85945242 XDFUWSLMORUIPV-SMIHKQSGSA-N 412.489 4.663 0 40 HJAB CC[C@@H](NC(=O)c1cnc(-c2ccccc2)s1)[C@H](c1ccc(C)cc1)n1cncn1 89941945 WJKZLWVLLLYYAT-CTNGQTDRSA-N 417.538 4.508 0 40 HJAB COc1cc(Br)c(CN[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1OC 98081564 RCOZMVOXYMJABW-IBGZPJMESA-N 418.335 4.830 0 40 HJAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Cl)c1OC 106691683 DMTPUYBHCVSJPS-SXGWCWSVSA-N 407.850 4.733 0 40 HJAB CCc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 222785115 ZUPTZQWRLLRHGW-SFHVURJKSA-N 422.550 4.849 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1Cc1cccnc1 223455645 AEECLDBGRANCET-FGZHOGPDSA-N 403.555 4.566 0 40 HJAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCOc3ccc4ccccc4c3)cc2)C1 223618916 PYERJSVMLWECIU-FQEVSTJZSA-N 402.538 4.881 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)NCC(C)C)cc1 224656900 IHHVLXRGNUSIMR-DEOSSOPVSA-N 424.585 4.516 0 40 HJAB CCCOC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCCC1 225654838 HRAXQZMRMFMLKH-BGYRXZFFSA-N 402.579 4.721 0 40 HJAB O=C(NCc1cccc2ccccc12)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225735516 XHHLBBHQNQZAHO-SFHVURJKSA-N 415.415 4.617 0 40 HJAB COc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)cc1C(F)(F)F 225954255 DYOHFYCVFKKAIP-UHFFFAOYSA-N 413.367 4.544 0 40 HJAB CCN(CC)C(=O)Cc1c(C)nc([C@H]2CCN(Cc3ccc(C(C)C)cc3)C2)nc1C 257236625 HCZWPYRIUGRWDZ-QHCPKHFHSA-N 422.617 4.617 0 40 HJAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4cc(C(C)C)n[nH]4)C3)c2)cc1 257242159 IBJAZHKIZXNOTP-LJQANCHMSA-N 418.541 4.932 0 40 HJAB CC[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)C1=O 408545264 XDNPTXHOGREBHN-BUESGFEBSA-N 424.478 4.816 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)cc1Cl 408713062 ITGWJXBILMHLQK-UHFFFAOYSA-N 412.298 4.583 0 40 HJAB O=C(NCc1ccccc1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl 848525 BQJHSSHGNCWBEU-UHFFFAOYSA-N 420.778 4.592 0 40 HJAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3)cc2c1 880259 YFIGCOFHYRHOLD-UHFFFAOYSA-N 412.493 4.720 0 40 HJAB O=C(Nc1ccc(F)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 894119 MURXDPPFACKHBU-HSZRJFAPSA-N 406.482 4.852 0 40 HJAB O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(c2ccc(Cl)cc2)CC1 936500 BQXOMDWUSWCBKS-UHFFFAOYSA-N 418.990 4.899 0 40 HJAB Cc1ccc(-n2c(N)c(C(=O)Nc3cccc(F)c3)c3nc4ccccc4nc32)cc1 2291111 QYFFFWNDSFBSFX-UHFFFAOYSA-N 411.440 4.856 0 40 HJAB COc1ccc(-c2c(NC(=O)c3cccs3)n(-c3ccccc3)nc(C)c2=O)cc1 2323836 DMHCUPVPIWVPMB-UHFFFAOYSA-N 417.490 4.530 0 40 HJAB CCc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)c1 2369700 OKUIBGWAPFRCFW-UHFFFAOYSA-N 422.485 4.876 0 40 HJAB CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2)s1 2428156 VJUXSPIAKYUQME-QGZVFWFLSA-N 423.881 4.610 0 40 HJAB COc1cccc(-n2ccnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)c1 2723150 JIKPGZIYJCIEKG-UHFFFAOYSA-N 407.417 4.631 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1 3358419 TXVKJADUDIBLLI-UHFFFAOYSA-N 409.507 4.603 0 40 HJAB Cc1ccc(S(=O)(=O)Oc2c(C)ccc3c2N(C)[C@@H]2c4ccccc4C[C@H]32)cc1 4114303 ZSYRDYJPMNKALU-FGZHOGPDSA-N 405.519 4.902 0 40 HJAB COc1cccc(C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 4167075 VURSYLDBVHHGRB-UHFFFAOYSA-N 406.429 4.810 0 40 HJAB Cc1ccc(OCCCn2c(CCCNC(=O)c3ccco3)nc3ccccc32)cc1 5235822 PVCATNAQYZOWEX-UHFFFAOYSA-N 417.509 4.769 0 40 HJAB CC(C)C(NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)C(C)C 6325203 BYJAUKLECYPCOF-RUZDIDTESA-N 424.610 4.914 0 40 HJAB CSCC[C@@H](NC(=O)COc1cc(C)ccc1C(C)C)c1nc2ccccc2[nH]1 6506558 HMHQPHCJWOIIIS-HXUWFJFHSA-N 411.571 4.984 0 40 HJAB Cc1nc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2c3c(sc2n1)CCCC3 6881457 YETQJRDWNSVIMZ-QGZVFWFLSA-N 407.539 4.991 0 40 HJAB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1c(F)c(F)c(F)c(F)c1F 6971568 MNAILDCMOYHUIF-UHFFFAOYSA-N 405.282 4.838 0 40 HJAB COc1ccc(NC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1Cl 7014770 ZMFQILUWXDPVBK-UHFFFAOYSA-N 412.873 4.504 0 40 HJAB C[C@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21 7546812 RMTHBIHPXXUYLU-CVDCTZTESA-N 409.533 4.867 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccccc2C(=O)Nc2ccccc2)c1C 7549666 ROAUNXQQOQFJJQ-QGZVFWFLSA-N 404.466 4.737 0 40 HJAB COc1ccccc1/C=C/[C@@H]1Nc2ccccc2C(=O)N1c1ccc2c(c1)OCO2 7884971 HFSRQINIDAQXFS-UQNNOOFXSA-N 400.434 4.536 0 40 HJAB O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccc(Br)o1 8186030 LQOUXIOACDPYLJ-UHFFFAOYSA-N 400.188 4.604 0 40 HJAB COc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1 8613997 ZONAEKBEQSPYLR-GFCCVEGCSA-N 403.891 4.582 0 40 HJAB Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(F)cc2)c1 8664951 HNGRPAKDSOUZLR-OAQYLSRUSA-N 400.409 4.694 0 40 HJAB COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)o1 8861480 VGWYNFPIEIGGFU-UHFFFAOYSA-N 421.478 4.615 0 40 HJAB O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCC(Cc2ccccc2)CC1 9153128 GDYFHEYIHBQGOF-UHFFFAOYSA-N 424.342 4.934 0 40 HJAB O=C(Nc1ccc(Br)cc1-c1nc2ccccc2[nH]c1=O)c1ccccc1 9260562 NNVHTNGBCKJTBR-UHFFFAOYSA-N 420.266 4.605 0 40 HJAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CC[C@@H]2CCCC[C@@H]2C1 9337260 JUZYFADIUXEFIU-RBBKRZOGSA-N 400.526 4.646 0 40 HJAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccccc1C(F)(F)F 9627697 FKNRFJAXTHQQKR-UHFFFAOYSA-N 405.401 4.595 0 40 HJAB Cn1c(SCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)nc2ccccc21 9672286 GEYJAIYIXMXFFW-OAHLLOKOSA-N 422.579 4.681 0 40 HJAB CCc1ccc(-c2ccc3nnc(SCC(=O)Nc4ccc(C)c(F)c4)n3n2)cc1 9829113 QGZCSXXSDZJSRV-UHFFFAOYSA-N 421.501 4.532 0 40 HJAB Cc1cc(Br)ccc1NC(=O)COc1ccc(C)c2c1C(=O)C[C@H]2C 11052834 XVOJPGHFHPOIQP-CYBMUJFWSA-N 402.288 4.773 0 40 HJAB Cc1n[nH]c(C)c1Cc1ccc(NCc2cc(-c3ccc(F)cc3)c[nH]c2=O)cc1 12144084 BLRISMWBVWQFSF-UHFFFAOYSA-N 402.473 4.724 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccnc2)N1Cc1ccccc1 12528125 VRIQXSITVQIFAA-HXUWFJFHSA-N 402.837 4.587 0 40 HJAB C[C@H](C(=O)Nc1c(Cl)cccc1Cl)N1c2cccc3cccc(c23)S1(=O)=O 13566169 RFMAJMSYCAOJBJ-LLVKDONJSA-N 421.305 4.683 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 14404810 ZNODGUHNARPKJO-UHFFFAOYSA-N 424.504 4.923 0 40 HJAB COc1ccc(CCN(C)C(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1OC 15664594 UDVUNOPBCWMWIY-UHFFFAOYSA-N 416.930 4.795 0 40 HJAB C[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)c1cccc(Cl)c1 15766328 DJQPTSIUEWORGK-OAHLLOKOSA-N 409.917 4.657 0 40 HJAB CC(=O)c1cccc(NC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)c1 17051637 JZCGYCPZZAUCSO-UHFFFAOYSA-N 416.506 4.638 0 40 HJAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 17094240 RHXMTXSVTMFJDS-KPKJPENVSA-N 424.957 4.797 0 40 HJAB Cc1cc(-c2cncnc2)cc([C@@H]2CCCN2Cc2cc3ccccc3nc2N(C)C)n1 19691048 MACUHSUXNWBGBI-VWLOTQADSA-N 424.552 4.798 0 40 HJAB CCn1c2ccccc2c2cc(NS(=O)(=O)Cc3ccc(C(=O)OC)cc3)ccc21 20455031 LLFPCZVYIZKVOV-UHFFFAOYSA-N 422.506 4.543 0 40 HJAB COc1cccc(NC(=O)CSc2ccccc2C(=O)NC2CCC(C)CC2)c1 20885828 PTEQNPQMXFDCTO-UHFFFAOYSA-N 412.555 4.735 0 40 HJAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)COc1ccccc1 20972852 ZUKRUJZDFPWDRP-UHFFFAOYSA-N 400.482 4.870 0 40 HJAB COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2ccc(Br)cc2)c1 24936958 VHNQKOAFMHJYJK-CYBMUJFWSA-N 424.360 4.577 0 40 HJAB CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nccn2-c2ccc(C)cc2C)cc1 26035510 GSWYQHJFXOGEQK-QGZVFWFLSA-N 407.539 4.661 0 40 HJAB Clc1cccc(-c2ccc(SCc3nc(-c4ccc5c(c4)OCO5)no3)nn2)c1 33262447 HYHDFLGWYHXRFK-UHFFFAOYSA-N 424.869 4.868 0 40 HJAB Fc1ccc(COc2ccccc2C(=S)N2CCN(Cc3ccccc3)CC2)cc1 34857070 DWLAYHBSZFEZHM-UHFFFAOYSA-N 420.553 4.898 0 40 HJAB COc1cc(OC)c([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)cc1OC 36357662 NATZPTHHBYNJJK-HNNXBMFYSA-N 413.861 4.675 0 40 HJAB COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2F)cc1 40407087 RHYWMRKPJFRJAB-UHFFFAOYSA-N 405.878 4.883 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2CC)sc2c1CCCC2 44842681 TZANFPIZMIHVEV-AWEZNQCLSA-N 401.528 4.772 0 40 HJAB COc1ccccc1N(C)C(=O)c1ccc(Oc2ccccc2Br)nc1 55744926 ANDHYFRBGQEADM-UHFFFAOYSA-N 413.271 4.922 0 40 HJAB O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)NCc1ccccc1 57577728 XJZIBGVXNHVLHM-UHFFFAOYSA-N 420.582 4.783 0 40 HJAB COc1cc(OC)c(C2=CCN([C@H](C)C(=O)c3c[nH]c4ccccc34)CC2)c(OC)c1 57970464 ZISDJACZCDFFGD-MRXNPFEDSA-N 420.509 4.554 0 40 HJAB CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCC[C@H]3c3ccsc3)c2)c1C 58157980 ODDXXXLBXFFZHP-FQEVSTJZSA-N 424.526 4.788 0 40 HJAB CCc1ccccc1NC(=O)c1cnc2scc(-c3ccccc3Cl)n2c1=O 64787991 NDOXHZXJVUVCQN-UHFFFAOYSA-N 409.898 4.891 0 40 HJAB O=C(Nc1cc2c(cc1Cl)OCCCO2)N[C@@H]1CCCOc2ccc(F)cc21 65440031 TYUGGZKMDMEUNG-OAHLLOKOSA-N 406.841 4.676 0 40 HJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(F)c(C)c3)oc12 67299113 ZVIOURPLYHVLBV-RWEWTDSWSA-N 406.413 4.644 0 40 HJAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cccc3cccnc23)C1 72352447 YYQLRBMNZHLZGM-KRWDZBQOSA-N 401.535 4.799 0 40 HJAB CCn1cc(CN2CCC[C@H](c3cc(Cc4ccccc4OC)cc(C)n3)C2)c(C)n1 72354106 CKMKWQJKWPNWBJ-QHCPKHFHSA-N 418.585 4.894 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 100984829 LWGQZJYYCUEDKM-SDHSZQHLSA-N 420.468 4.891 0 40 HJAB COc1ccc([C@@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1OC 216296870 XFPXKCZNXYPDQF-CYBMUJFWSA-N 424.360 4.577 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219322960 UOAPPVVTBQUIFD-INIZCTEOSA-N 420.296 4.859 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1Cc1ccccn1 223557800 CRPYNZXINCRYPS-YADHBBJMSA-N 403.555 4.566 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2CCCc3ccccc32)cc1 224359955 CAQHGMNQGBIURJ-LEYFIJQKSA-N 400.478 4.553 0 40 HJAB Cc1ccccc1CN1CCC(C(=O)NCCOc2ccc(C(C)(C)C)cc2)CC1 224527629 HLQXUINSHDUVGL-UHFFFAOYSA-N 408.586 4.700 0 40 HJAB CCn1c(=O)sc2cc(NC(=O)c3ccc(CN4CCC(C)CC4)cc3)ccc21 225105240 IFXCXNIPKZQYBO-UHFFFAOYSA-N 409.555 4.567 0 40 HJAB Cc1cccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)c1 225497094 GTSUOAWYYDCTJI-KRWDZBQOSA-N 418.990 4.682 0 40 HJAB CC(C)c1ccc(CCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 225566835 CQOXYNMUYPDGOU-MOHJPFBDSA-N 416.521 4.923 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2C)c1 225601452 OVKOYUQOQHKMDW-UHFFFAOYSA-N 402.585 4.782 0 40 HJAB C[C@H](O)c1ccc(C2(CNC(=O)c3cc(Br)cs3)CCCC2)s1 225682757 JCVBBEOCIJMOFG-NSHDSACASA-N 414.390 4.867 0 40 HJAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(OCC)c(OCC)c2)c1 225751128 ZYCCWTLSRDIFIO-OAHLLOKOSA-N 416.543 4.708 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253505495 UWCHXMLXDXSLPL-LNADVXPDSA-N 418.647 4.647 0 40 HJAB Cc1ccc(CN2C(=O)N/C(=C/c3cccc(OCc4ccccc4F)c3)C2=O)cc1 409233102 KFDGZJPTVCTZCA-OEAKJJBVSA-N 416.452 4.806 0 40 HJAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21)c1ccccc1 409368126 SEURBNLSNQWMOS-QCFAMHMHSA-N 420.306 4.844 0 40 HJAB Cc1ccccc1C(=O)N1CCC2(CCCCc3ccccc3OCCN(C)C2)CC1 643570379 CFDUQZRAXGLLQQ-UHFFFAOYSA-N 420.597 4.955 0 40 HJAB O=C(c1cccc(Oc2nccs2)c1)N1CCC(Oc2cncc(Cl)c2)CC1 646327941 WRVHUYUZJUXKED-UHFFFAOYSA-N 415.902 4.667 0 40 HJAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 1254545 JTAFQTRSVZOHBP-SFHVURJKSA-N 404.297 4.877 0 40 HJAB COc1cccc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3F)c(=O)oc12 1342128 OTAJMUSMRKLMHK-UHFFFAOYSA-N 417.436 4.783 0 40 HJAB CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 2424862 RHDVSOHUEGTUTM-QFIPXVFZSA-N 418.537 4.587 0 40 HJAB CC(C)(C)N[C@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 3195643 FSOPIZNZNBUECL-SFTDATJTSA-N 414.958 4.956 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1 3275243 HSGIQHUSXIHIKL-UHFFFAOYSA-N 415.795 4.698 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1 3298748 PIJFMNCXKUOGHA-UHFFFAOYSA-N 404.495 4.665 0 40 HJAB CC(=O)c1ccccc1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 3319150 MSAALOZPNIYQEA-UHFFFAOYSA-N 405.834 4.692 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1cccc(Oc2ccccc2)c1 3415655 PPANQSQYEWABKI-UHFFFAOYSA-N 417.509 4.605 0 40 HJAB COc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cnccn2)cc1 3441977 SYZFYKIUOGLGGS-VMPITWQZSA-N 401.495 4.538 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(O)cc1 4161309 FXIHIPWAZFTFRA-UHFFFAOYSA-N 416.934 4.835 0 40 HJAB CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 4310953 QRTXDHWKAJOJKB-IBGZPJMESA-N 402.325 4.959 0 40 HJAB COc1cccc([C@H]2Nc3c(C(=O)O)cccc3[C@H]3c4ccccc4C[C@H]23)c1OC 4458476 REQDACGXRQSKGJ-XKCSPQBFSA-N 401.462 4.873 0 40 HJAB C[C@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1 4690411 ZPANJEKALVVQIO-VSOYFRJCSA-N 414.461 4.558 0 40 HJAB c1ccc(CC2CCN([C@@H](c3ccncc3)c3nnnn3C3CCCCC3)CC2)cc1 4925504 PNJXCCJIASGSOT-DEOSSOPVSA-N 416.573 4.617 0 40 HJAB CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 6843183 YTJUCPCUHACBPQ-IBGZPJMESA-N 413.930 4.894 0 40 HJAB CC(C)CCNC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 7166145 FEJKXZIGJRZMDB-UHFFFAOYSA-N 414.615 4.640 0 40 HJAB C[C@]12CC[C@@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@](C)(C(=O)O)[C@@H]1C[C@H]1Nc2ccccc2C1=O 8616136 LSPRYAWXULXANH-FFMGNDDFSA-N 423.553 4.668 0 40 HJAB O=S(=O)(c1ccccc1)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccccc1 9060254 YMZUGBLBTLXZEI-HSZRJFAPSA-N 417.534 4.610 0 40 HJAB O=C1C[C@@H](C(=O)N(c2ccccc2)c2nc3ccccc3s2)CN1Cc1ccco1 9256041 KFEMJJXMGGMQOC-MRXNPFEDSA-N 417.490 4.603 0 40 HJAB CC[C@@H](C)Sc1nnc(CNC(=O)c2ccc(OC)cc2)n1C1CCCCC1 9390795 XLTODPMILRMHDF-OAHLLOKOSA-N 402.564 4.613 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 9549700 MXUMXNONTJOWIA-MRXNPFEDSA-N 416.481 4.547 0 40 HJAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)Cn2cnc3ccccc3c2=O)c1 9818125 HMKGHHTYRSFKIE-UHFFFAOYSA-N 419.868 4.789 0 40 HJAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccccc1Br 10139858 DTAKYFQGAQFJMR-UHFFFAOYSA-N 412.331 4.749 0 40 HJAB Cc1cc(F)ccc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21 10433579 DYUIVQDSXOPWQG-UHFFFAOYSA-N 421.859 4.803 0 40 HJAB CC(C)CCn1c(SCC(=O)N(C)[C@H](C)c2ccccc2)nc2ccccc2c1=O 11828999 VLCIPZDYLSXYDU-GOSISDBHSA-N 423.582 4.754 0 40 HJAB Cc1cccc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c1C 12226749 RQCOWPNDAZAHHF-UHFFFAOYSA-N 406.404 4.688 0 40 HJAB COc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3ccccn23)cc1 12342007 SARHUKXBQMXJHX-UHFFFAOYSA-N 413.477 4.630 0 40 HJAB O=C(CSc1nnc(COc2ccccc2Cl)o1)c1ccc2c(c1)CCC2 12675439 MYOPKLSLKJTZLG-UHFFFAOYSA-N 400.887 4.766 0 40 HJAB COc1cc(SC)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 12888011 BKIIRKFHKHCAGQ-UHFFFAOYSA-N 407.417 4.874 0 40 HJAB O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)NCc1ccccc1Cn1cccn1 12933347 UGZGQASUMKYZGY-ZHACJKMWSA-N 418.497 4.524 0 40 HJAB Cc1ccc(OCc2nc3ccccc3n2CC(=O)Nc2ccc(F)c(F)c2)cc1 13040987 IBDBDHDHROATPV-UHFFFAOYSA-N 407.420 4.841 0 40 HJAB CC(C)Cn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nnc1-c1ccccc1F 13141714 MWVIQLJUDIYSJI-TXPKVOOTSA-N 418.582 4.773 0 40 HJAB O=C(Nc1nc([C@@H]2COc3ccccc3O2)cs1)c1ccc(Br)cc1 13721487 YTJWTIIMUNOQFL-INIZCTEOSA-N 417.284 4.670 0 40 HJAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)c3cc(C)ccc3C)cc2c1 13786342 QKIXBHDWPDIUSE-UHFFFAOYSA-N 402.450 4.594 0 40 HJAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c(Br)c1 15426186 UAVASKMDKFXCTG-OAHLLOKOSA-N 416.319 4.640 0 40 HJAB COc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1Cl 16284418 VVTBDMAUYWQFJI-UHFFFAOYSA-N 410.836 4.782 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)N2CCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1 19084506 SSFLTZDTOKNRGQ-GOSISDBHSA-N 411.527 4.838 0 40 HJAB Cc1c(C(=O)N2CCC[C@]3(CCC(=O)N3)[C@H]2c2cccc(F)c2)oc2ccccc12 19566182 QRYQSCYKLTVMPM-VWNXMTODSA-N 406.457 4.506 0 40 HJAB Cc1nc([C@@H]2CCCCN2C(=O)CC(C)C)ncc1C(=O)Nc1ccc(Cl)cc1 19764897 DFVCLDIYDVRELK-IBGZPJMESA-N 414.937 4.790 0 40 HJAB COc1ccc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c(OC)c1OC 20493597 YBNIVRRXBAXODS-VUNQTZOZSA-N 417.505 4.940 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)s1 21755523 IDSBNVPYLKQZMD-UHFFFAOYSA-N 418.565 4.512 0 40 HJAB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccsc3)ccc2C)cc1 22628341 ZRDBUPMPHMDASL-UHFFFAOYSA-N 416.524 4.508 0 40 HJAB CCOC(=O)c1sc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1C 23038961 BCHHPHWDVVFJBA-UHFFFAOYSA-N 412.467 4.639 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1NS(=O)(=O)c1cccs1 23172613 NCQJENCEMFTXGQ-FMIVXFBMSA-N 418.927 4.854 0 40 HJAB Cc1cccc(-n2c(SCC(=O)NC3CCCC3)nnc2-c2ccccc2)c1C 27753119 RBZUHYQACNEYNW-UHFFFAOYSA-N 406.555 4.702 0 40 HJAB CCN(C(=O)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)c1ccc(OC)cc1 28628110 VTBCWDDIVDXFFW-GOSISDBHSA-N 416.783 4.572 0 40 HJAB COc1cc(CN[C@@H](c2ccccc2)c2ccccn2)ccc1OCc1ccncc1 30544727 UMJIMTYNMSCTEB-SANMLTNESA-N 411.505 4.943 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 30852894 YKYQRRROEIZSLK-OSPHWJPCSA-N 420.534 4.853 0 40 HJAB Cc1cc(Sc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)nc(C)n1 32769884 GSNMSUCIFQZQJI-UHFFFAOYSA-N 408.918 4.849 0 40 HJAB COCCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 36624607 KEXJILVHENZVAM-UHFFFAOYSA-N 403.482 4.619 0 40 HJAB Cc1cc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)ccc1Cl 51317174 BNZDTOYHORXLJU-UHFFFAOYSA-N 410.905 4.549 0 40 HJAB O=C(COc1ccc(C2SCCCS2)cc1)N1CCC[C@@H]1c1ccccn1 55520919 VVOKAXZOXZWQBV-LJQANCHMSA-N 400.569 4.693 0 40 HJAB Cc1ccc2nc([C@@H]3CCCN3C(=O)Cc3csc(-c4ccsc4)n3)[nH]c2c1 58342305 VTVLTMJOSAHKAM-SFHVURJKSA-N 408.552 4.963 0 40 HJAB CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1Cl 61341942 SQYUMEPMEATSSJ-UHFFFAOYSA-N 416.886 4.756 0 40 HJAB CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1ccc(C(C)C)cc1 71327869 RRBMDCIIMQYXBH-UHFFFAOYSA-N 417.553 4.986 0 40 HJAB O=C(c1c(O)cc(F)cc1F)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 72311484 CBCVHAVPJGRMLO-INIZCTEOSA-N 403.816 4.691 0 40 HJAB Cc1ccc(C2(CN3CCC(NC(=O)c4c(C)noc4C)CC3)CCCCC2)cc1 72393567 QNAXEJWTTWHDSX-UHFFFAOYSA-N 409.574 4.696 0 40 HJAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(C)s2)C12CCCCC2 79477047 DXCGYTFEQXSGCF-GOSISDBHSA-N 412.559 4.528 0 40 HJAB c1ccc(COc2ccc(CN3CC(c4nc(Cc5ccccc5)no4)C3)cc2)cc1 90563472 QIUZEXFPONOIGQ-UHFFFAOYSA-N 411.505 4.839 0 40 HJAB COc1cccc(C2=N/C(=C\c3sc(Oc4ccccc4)nc3Cl)C(=O)O2)c1 96133920 VALWWWOVVYKFRJ-PTNGSMBKSA-N 412.854 4.942 0 40 HJAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 100408105 MSQSPHQRIUZHIB-AREMUKBSSA-N 414.549 4.916 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103072548 RSMZTOVJYVBCPN-NYYJTOMGSA-N 424.854 4.802 0 40 HJAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCS[C@H](c2cccs2)CC1 219548511 CZWCJIGHMVRSED-HNNXBMFYSA-N 407.504 4.636 0 40 HJAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccccc1Cl 222834615 GNQJTVOOJARIGC-HNNXBMFYSA-N 407.341 4.683 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)CC(C)(C)O2 222855904 FGETXHZIFOXHFQ-KUHUBIRLSA-N 403.906 4.843 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1Cc1ccncc1 223516857 DLAFWCWSRMYRFF-FGZHOGPDSA-N 403.555 4.566 0 40 HJAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 224528088 ZARGHBKZGKTDJW-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB COc1cccc(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)c1 224877834 HGIRCXBZQUKFIZ-UHFFFAOYSA-N 401.260 4.684 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 225056000 XYBVEPPKOPFQDG-UXHICEINSA-N 412.599 4.809 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cccc(C(F)(F)F)c1 225814090 NNNLGGXUQPLPBF-QGZVFWFLSA-N 409.404 4.511 0 40 HJAB O=C(c1ccccc1Cn1cccn1)N1CCC[C@@H](Cc2ccc3ncccc3c2)CC1 257206092 BBURJDSTLIEATN-OAQYLSRUSA-N 424.548 4.965 0 40 HJAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1 409153173 CVJWSEDGTZEFMY-ZHZULCJRSA-N 424.522 4.849 0 40 HJAB COc1ccc(Nc2nc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)cs2)cc1 524816216 BAGDIFAUTCYKBK-SFHVURJKSA-N 423.494 4.601 0 40 HJAB CN(Cc1ccccc1NC(=O)CCCc1ccc2c(c1)CC(=O)N2)C1CCCCC1 591122900 NKUGNLRSBYNZGS-UHFFFAOYSA-N 419.569 4.907 0 40 HJAB COc1cc(NC(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)cc(OC)c1OC 659934468 LJOAMEUHKWAWPO-QGZVFWFLSA-N 421.493 4.709 0 40 HJAB CC(C)(C)OC(=O)c1ccc2c(c1)CCCN2C(=O)c1ncc(Cl)cc1Cl 1531940119 FVJUMQUIMJCFOA-UHFFFAOYSA-N 407.297 4.937 0 40 HJAB O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 1623248347 GVZUQLAEHWGPEA-FPOVZHCZSA-N 411.933 4.864 0 40 HJAB Cc1ccc(C(=O)CN2C(=O)CN=C(c3ccc(C)cc3)c3cc(C)sc32)cc1 924541 WJXUSSIWKNMSNG-UHFFFAOYSA-N 402.519 4.740 0 40 HJAB COc1ccccc1/C=C1/SC(=O)N(CNc2cccc(C(F)(F)F)c2)C1=O 3015133 HXWPLYQZDQLZPS-CXUHLZMHSA-N 408.401 4.820 0 40 HJAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1ccc(Br)cc1 3240179 LCFDHLFATHTWCY-KRWDZBQOSA-N 424.722 4.600 0 40 HJAB Cc1nnc(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)n1Cc1ccccc1 3332611 OACXYRSYXANSRG-ZDUSSCGKSA-N 420.460 4.773 0 40 HJAB O=C1OCC[C@@H]1Sc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1 3347378 OUVWDTHQSQLEQK-FQEVSTJZSA-N 407.539 4.935 0 40 HJAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(C)CC(=O)Nc1ccc(Cl)cc1 3395894 CCYZETWVINEOAS-NSHDSACASA-N 414.720 4.544 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 3403795 IVOAJLKJIMZHQH-AWEZNQCLSA-N 408.329 4.508 0 40 HJAB COc1ccc(CC(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 3407406 XQDCHQHBMRTVTI-UHFFFAOYSA-N 403.301 4.762 0 40 HJAB COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(C)cc2)cc1 4518116 RPEROGXRBJWBJA-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB Cc1cc(NC(=O)CSc2nc(-c3ccc(Br)cc3)cs2)no1 4668944 QACDDJZVSPOQRQ-UHFFFAOYSA-N 410.318 4.600 0 40 HJAB O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4732060 SNOQAMCUTTVEOI-INIZCTEOSA-N 406.482 4.969 0 40 HJAB Cc1ccc(N[C@H]2SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)c1 4748403 GGPKOBXPZLNJLE-INIZCTEOSA-N 405.317 4.700 0 40 HJAB O=C(Nc1ccc(F)cc1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 5184728 RJRFHAZVJBBFBK-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB CCCc1cc(=O)[nH]c(SCc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)n1 5488514 MLCGHVHVXDNUSU-UHFFFAOYSA-N 407.539 4.884 0 40 HJAB COc1cccc(C(=O)Oc2cc(-c3cccc(OC)c3)c3oc(=O)sc3c2)c1 6809720 XQPVCNBVUKZTEJ-UHFFFAOYSA-N 408.431 4.758 0 40 HJAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)N[C@@H](c1ccccc1)c1cccs1 7240579 FPQKWHHNRHXHPJ-KRWDZBQOSA-N 414.943 4.671 0 40 HJAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)N[C@H]1CCSc2ccccc21 7990691 SMGVKMNWCCXMPZ-NRFANRHFSA-N 418.518 4.562 0 40 HJAB COC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 8092322 DOVAWNQSMAHADS-RCCKNPSSSA-N 402.406 4.561 0 40 HJAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCC[C@H]1c1cccs1 8707833 XCBRJVRHCIGVQY-FQEVSTJZSA-N 400.507 4.973 0 40 HJAB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)S(=O)(=O)c2ccccc2)cc1 8773079 TVHPIWCRCAYNML-UHFFFAOYSA-N 418.518 4.540 0 40 HJAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(Cl)ccc3OC)cc21 8959663 UMFLGHGEWDRIKG-UHFFFAOYSA-N 416.905 4.763 0 40 HJAB COc1ccc(CN(C)C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 9112199 PYVPOCOBKHQIAC-UHFFFAOYSA-N 407.495 4.907 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1C 10112456 UGDZDFSJPDDLKK-SFHVURJKSA-N 420.534 4.696 0 40 HJAB Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1cccnc1)O2 10215174 FZSWFHLKWRHBCI-AVRDEDQJSA-N 405.841 4.706 0 40 HJAB COc1ccc(SCC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1 10869177 DEQUEJINLXNXIR-MRXNPFEDSA-N 414.552 4.609 0 40 HJAB Cc1cc(Br)ccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11338179 YIFDMDIZOZUIHQ-UHFFFAOYSA-N 414.278 4.823 0 40 HJAB CCN(C(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C)c1ccccc1 11829641 LTQPGAOYTYWHCD-UHFFFAOYSA-N 409.555 4.588 0 40 HJAB C[C@H]1CCN(C(=O)c2cccc(I)c2)c2ccccc2S1 12864026 IFGHPJHWFUZOHI-LBPRGKRZSA-N 409.292 4.822 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12979500 AALRZYSUYLDMKT-NAVXVDNBSA-N 420.475 4.851 0 40 HJAB CCOc1cc2c(cc1NC(=O)c1cc(Cl)c(OCC)c(OC)c1)O[C@H](C)C2 12996214 SHBYHVSPZAEAAB-GFCCVEGCSA-N 405.878 4.722 0 40 HJAB C[C@@H]1CN([C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(Cl)(Cl)Cl)C[C@@H](C)O1 13551539 MHYOKXMLWSCKNE-PBFPGSCMSA-N 421.796 4.519 0 40 HJAB Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2cccc(F)c2)no1 13571661 XNFYZBWZVKLQQY-LJQANCHMSA-N 424.815 4.940 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3C)C2)c2ccccc12 16884434 JIPKGYUQNNHPQW-QGZVFWFLSA-N 420.484 4.787 0 40 HJAB O=S(=O)(Nc1nc2ccccc2nc1NCc1ccccc1Cl)c1ccccc1 17207398 FMQCLVOOPXUEOO-UHFFFAOYSA-N 424.913 4.696 0 40 HJAB COc1ccc(C)cc1CN1CCC(c2n[nH]cc2C(=O)N(C)C2CCCCC2)CC1 19133345 JUUXHEUHBXHMBJ-UHFFFAOYSA-N 424.589 4.511 0 40 HJAB Cc1cc(C(F)(F)F)c2c(C3CCN(Cc4c[nH]nc4C(C)(C)C)CC3)noc2n1 19569113 HLSNUGQSPSMAKD-UHFFFAOYSA-N 421.467 4.950 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1csc(Nc2ccc(OC(F)F)cc2)n1 23136868 UBECJGHJUYASTP-UHFFFAOYSA-N 419.409 4.512 0 40 HJAB C[C@H](NC(=O)Cc1cc(O)nc(SCc2cccc(Cl)c2)n1)c1ccccc1 23138292 OTMGMEYZMOLEJO-AWEZNQCLSA-N 413.930 4.548 0 40 HJAB CNC(=O)c1cccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)c1C 31982153 IDJYKCQKWCMHPJ-UHFFFAOYSA-N 417.534 4.986 0 40 HJAB Cc1ccc(-n2nnc(-c3nsc(Nc4ccc(Cl)cc4)n3)c2C)cc1F 33302079 PQJZAWFVPIFCNX-UHFFFAOYSA-N 400.870 4.939 0 40 HJAB C[C@@H](NC(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)c(Cl)c1 36394540 HBJPBBQCVUANPA-GFCCVEGCSA-N 407.297 4.598 0 40 HJAB O=C(NCCSCc1cccc(Cl)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38848489 POOQJOPODHSENP-IBGZPJMESA-N 420.981 4.741 0 40 HJAB CSCC[C@@H](NC(=O)CCC(=O)c1cc(C)ccc1C)c1nc2ccccc2[nH]1 39975611 UDRCSAJZQGFLAK-HXUWFJFHSA-N 409.555 4.753 0 40 HJAB O=C(NC1CC1)c1ccc(NC(=O)c2cccnc2SCc2ccc(F)cc2)cc1 40132248 IKLQOQNEAKMGMT-UHFFFAOYSA-N 421.497 4.658 0 40 HJAB COc1ccc(CCN2C(=O)c3c(oc4ccccc4c3=O)[C@@H]2c2ccccc2)cc1 41104991 IANYMDKFRSTSRO-QHCPKHFHSA-N 411.457 4.590 0 40 HJAB Cc1ccccc1-c1csc2c(=O)n(Cc3ccc(N4CCCC4=O)cc3)cnc12 44166975 JBHCFMRMPFUJKO-UHFFFAOYSA-N 415.518 4.609 0 40 HJAB CC(C)Oc1cccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 44916109 FSWZHEZTISLMBX-JOCHJYFZSA-N 412.549 4.574 0 40 HJAB CN(CCCNCc1sc(Sc2ccccc2)nc1Cl)CC(F)(F)F 48260480 QEGMDOVJYZQEDQ-UHFFFAOYSA-N 409.930 4.922 0 40 HJAB C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)o1 48260994 XQIREKVYCABCFS-KBXCAEBGSA-N 401.453 4.735 0 40 HJAB CCCCCCN(CCN1CCOCC1)C(=O)c1sc(-c2ccsc2)nc1C 48309251 FARFRSOYORSPEP-UHFFFAOYSA-N 421.632 4.535 0 40 HJAB O=C(CSc1cc(NCc2ccccc2Cl)ncn1)Nc1cc(F)ccc1F 57505667 MQEWHYRWXJCGLC-UHFFFAOYSA-N 420.872 4.751 0 40 HJAB Cc1c(C(=O)N(C)[C@H](C)c2cccc(-c3ccncc3)c2)nnn1-c1ccc(F)cc1 72295522 BOGCHJBVQMBXDK-MRXNPFEDSA-N 415.472 4.610 0 40 HJAB Cc1nn(-c2ccccc2)c2nc(-c3ccc(Br)cc3)cc(C(=O)O)c12 72333492 MLSRUUGCLMWBTN-UHFFFAOYSA-N 408.255 4.857 0 40 HJAB Cc1ccn2c(CN3CCC[C@H](c4cccc(Nc5ccccn5)n4)C3)c(C)nc2c1 72376099 SEHHMYICDGBTPP-FQEVSTJZSA-N 412.541 4.864 0 40 HJAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@@H](OC(C)=O)[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 90760137 VYZPGMGWYUEREY-STOWRTMJSA-N 418.574 4.708 0 40 HJAB O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NCC1(c2ccncc2)CCCCC1 96011849 VVGBZZPOGDLTSO-UHFFFAOYSA-N 409.917 4.951 0 40 HJAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4c(C(C)C)noc4C)CC3)o2)cn1 100155905 JJSOWNAAFPJEGL-CALCHBBNSA-N 423.517 4.564 0 40 HJAB COc1cccc(C2=CS[C@@H](NC(=O)c3sc4ccccc4c3Cl)N2)c1 101094423 XIZVPUNHFVOOCJ-LJQANCHMSA-N 402.928 4.912 0 40 HJAB COc1cccc(-c2cc(C(=O)N3CCCC[C@H](c4ccc(F)cc4)C3)n(C)n2)c1 208001965 RRTPFWMHUCNYNQ-IBGZPJMESA-N 407.489 4.645 0 40 HJAB O=C(NCc1ccc(C(=O)c2ccsc2)s1)c1cccc(Br)c1 211084612 SNVOOEHRYUFKLE-UHFFFAOYSA-N 406.326 4.733 0 40 HJAB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)cc1 216284049 OUSPECGCPGAHRZ-QHCPKHFHSA-N 422.550 4.985 0 40 HJAB CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220362517 DPNKGFAHXHJEKK-HNNXBMFYSA-N 422.978 4.566 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C(C)C 223456973 QAWFDJCIHSGAQX-VXKWHMMOSA-N 405.571 4.649 0 40 HJAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCOc1ccc2ccccc2c1 223611177 RJEJHECLQLPJTM-UHFFFAOYSA-N 410.322 4.645 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C 223710824 XMQSTWPWBHKUCQ-HSZRJFAPSA-N 408.586 4.611 0 40 HJAB Cc1ccc(C(=O)NC2CCCCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224048307 BHGRHIMUVREWAW-UHFFFAOYSA-N 406.935 4.512 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 224703032 IIAFGOSUBRAGJO-JOCHJYFZSA-N 414.977 4.771 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCSCc2cccc(Cl)c2)c1 225300161 RXRSHRCLJNTDTI-UHFFFAOYSA-N 408.976 4.737 0 40 HJAB S=C(NCCSCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCO2 225340915 HKBMNQFBWUUVOQ-UHFFFAOYSA-N 415.367 4.942 0 40 HJAB CC(C)Oc1ccc(CNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 225447927 JUDKUFRDPGRZAN-UHFFFAOYSA-N 411.571 4.587 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCc2ccc(OC(C)C)cc2)c1 225569227 NMSXJNUIUKCWGJ-UHFFFAOYSA-N 420.962 4.833 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 225661773 OWJRSIVJODUQAW-CVDCTZTESA-N 412.549 4.707 0 40 HJAB Cc1cc(C)cc(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)c1 225818572 HWRAKBLIGZULNX-UHFFFAOYSA-N 400.276 4.687 0 40 HJAB CCC(CC)C(=O)N1CCC(Cc2ccccc2-c2ccccc2C)(C(N)=O)CC1 257219070 DFMMVAKOZAOAHC-UHFFFAOYSA-N 406.570 4.735 0 40 HJAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)NC[C@@H]4CCCOC4)CCOCC3)cc2)c1 257301402 RYHOXOJASJIJFG-QHCPKHFHSA-N 421.581 4.853 0 40 HJAB O=C(N1CC[C@@H](Cc2cccc3ncccc23)C1)C1(Cc2ccccc2)CCOCC1 257302943 SFBNCOHSXVKYIM-QFIPXVFZSA-N 414.549 4.665 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2C)C1 408644817 RWLKDDNNRFCHPN-INIZCTEOSA-N 415.331 4.620 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OC(C)C)C2=O)c(C)c1 409343619 FDWCTCNMZVSIGM-NDENLUEZSA-N 424.522 4.766 0 40 HJAB C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 536763628 OJCOSWPNBGNDBX-BPAFIMBUSA-N 406.448 4.713 0 40 HJAB CN(C)c1nc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cs1 673806604 KFZNYELWIDLSGG-UHFFFAOYSA-N 405.445 4.825 0 40 HJAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)C2)c1 1523602542 OEUJHJTXAQUGAI-LSQMVHIFSA-N 418.581 4.683 0 40 HJAB CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c3cccc(c13)N2 1547138617 DATZWDMQPIUFEG-SFHVURJKSA-N 412.276 4.675 0 40 HJAB biogenic CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)OC1CCCCC1 797567 WJVDRVKZRSDMSC-UHFFFAOYSA-N 408.955 4.532 0 40 HJAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)o2)c1 867617 ZMSGWVMWATWONR-UHFFFAOYSA-N 419.462 4.529 0 40 HJAB NC1=C(c2nc3ccccc3s2)C2=C(CCCC2)[C@]2(O1)C(=O)Nc1ccccc12 1054063 FODIALBLLRUFSJ-HSZRJFAPSA-N 401.491 4.672 0 40 HJAB CC(=O)Nc1cc(-c2ccccc2)nn1-c1nc(-c2cccc(OC(C)=O)c2)cs1 1415860 AJLUJJURQUHBHS-UHFFFAOYSA-N 418.478 4.547 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)COc2ccccc2Br)cc1 1768746 LDCUOWJJOAECOE-UHFFFAOYSA-N 420.303 4.814 0 40 HJAB Cc1ccc(-c2ccc([C@H]3NC(=O)c4c(sc5c4CCN(C)C5)N3)o2)cc1Cl 2273126 DVKCMMXFPYHKNY-IBGZPJMESA-N 413.930 4.812 0 40 HJAB Clc1cccc(-n2ncc3c2ncn2nc(Cc4cccc5ccccc45)nc32)c1 2413787 HTANKVAGNVFGTD-UHFFFAOYSA-N 410.868 4.861 0 40 HJAB COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 2703662 DPYXFZKTWQSHPN-JOCHJYFZSA-N 412.445 4.563 0 40 HJAB CCn1c(C)nc2cc(-c3nn4c(=O)c5c6c(sc5nc4s3)CCCC6)ccc21 3231535 VWJPKHHGAZCZOY-UHFFFAOYSA-N 421.551 4.590 0 40 HJAB CCOc1ccc(Oc2ccc(NC(=O)CSc3nnc4ccccn34)cc2)cc1 3357562 QOCYJHPJWIZIRB-UHFFFAOYSA-N 420.494 4.651 0 40 HJAB COc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cc1OC 4072330 NWYWLTNHFSLQGP-UHFFFAOYSA-N 410.282 4.781 0 40 HJAB O=C(CC1CCCC1)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 4354106 SADPHRXZFQDPPN-UHFFFAOYSA-N 420.465 4.975 0 40 HJAB Cc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1-c1ccccc1C)C(=O)N2C 4866867 WDEKZTUIAJSWBI-HKWRFOASSA-N 407.473 4.520 0 40 HJAB Cc1ccc(N2C[C@H](NC(=O)N(Cc3ccccc3)Cc3ccccc3)CC2=O)cc1 5123305 HXDVDOQWVRHUOI-HSZRJFAPSA-N 413.521 4.512 0 40 HJAB CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C)cc1)N(c1cc(C)on1)C3=O 5322216 GSBJARCWTSOZEH-OAQYLSRUSA-N 400.434 4.710 0 40 HJAB O=C(c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCCc2ccccc21 5948392 FXIWPMWMNLGBND-CRAIPNDOSA-N 416.403 4.729 0 40 HJAB Cc1ccc(NC(=O)N(Cc2ccc(F)cc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 5986855 FRSKLUPIWZVTRN-UHFFFAOYSA-N 416.456 4.605 0 40 HJAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C)c(C)c2)c1 6263883 XSMZTWKCDQBVEW-UHFFFAOYSA-N 403.935 4.822 0 40 HJAB CCCOc1cccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c1 6415455 LRWGILRBOOYYJX-UHFFFAOYSA-N 400.434 4.528 0 40 HJAB O=C(OCc1c(F)cccc1Cl)c1nn(-c2ccccc2)c(=O)c2ccccc12 6647872 UAHWDUORMHUORE-UHFFFAOYSA-N 408.816 4.535 0 40 HJAB CN(C)C(=O)[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 7084933 OPDQGIWFVLOUJP-FQEVSTJZSA-N 418.522 4.508 0 40 HJAB CCn1c(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)nnc1C1CC1 7533893 ZFNGCFGRDBIHTD-UHFFFAOYSA-N 416.566 4.768 0 40 HJAB CCOc1ccc(CN(C)c2nc(-c3cccnc3)nc3ccccc23)cc1OC 7654128 GWMHXHLOZRRYMY-UHFFFAOYSA-N 400.482 4.736 0 40 HJAB C[C@@H]1Oc2c(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cccc2[C@@H]1C 8312286 SDXXGNSWZADFCS-CVEARBPZSA-N 402.498 4.808 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)cc1Br 9198752 TWTCIYBKJVIZOY-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB COc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(C)c3)n2)cc1C 9625662 MOLPIAKCQYQOMN-UHFFFAOYSA-N 410.499 4.594 0 40 HJAB CCCC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 9698597 YEPGCWJYRMEPBQ-UHFFFAOYSA-N 415.493 4.608 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 10449880 GEMCNTGKGLELOW-VOIUYBSRSA-N 418.518 4.645 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 10903469 YALHCGIGRPOBCD-UHFFFAOYSA-N 411.933 4.675 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 10979152 DDOMHLMQJKUTOM-INIZCTEOSA-N 416.525 4.708 0 40 HJAB CN(Cc1nc2ccccc2n1C(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl 12520194 FZXDSNFQNPVOSL-UHFFFAOYSA-N 420.268 4.559 0 40 HJAB COc1cccc(/C=C(/C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)c2ccccc2)c1 12581054 QWFTUYJVLINWFJ-NIVVHPMASA-N 407.510 4.569 0 40 HJAB CCOC(=O)c1ccc(N2C(=O)/C(=C\Nc3ccccc3)c3ccccc3C2=O)cc1 12603274 FHDQWVTWHZDZSS-JWGURIENSA-N 412.445 4.503 0 40 HJAB CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@H]2ON1c1ccccc1 13752125 QGBCDYBRZMPPGI-QQUTXWOLSA-N 406.526 4.890 0 40 HJAB O=C(c1ccc(N2CCCCC2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 14396696 BDFSRYWNHAVHSC-UHFFFAOYSA-N 417.475 4.658 0 40 HJAB COc1ccc(OCCCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 14397029 HXGQZQAKJWCOBB-UHFFFAOYSA-N 410.514 4.509 0 40 HJAB CS(=O)(=O)Cc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2Cl)cc1 14602186 HIHYXFUAZUHXAW-UHFFFAOYSA-N 400.883 4.771 0 40 HJAB O=C(C[C@]1(O)C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1ccco1 16524477 UOHXQCJSRUKBTH-OAQYLSRUSA-N 416.260 4.594 0 40 HJAB COc1cc(NC(=O)COc2ccccc2)ccc1NC(=O)c1ccccc1Cl 17088687 NNFZKKFLAQVPDN-UHFFFAOYSA-N 410.857 4.618 0 40 HJAB Cc1ccc(-n2ncc3c(NCCc4c[nH]c5ccccc45)ncnc32)cc1Cl 17120904 KXFCKKVFBNXGBZ-UHFFFAOYSA-N 402.889 4.913 0 40 HJAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)C1 18068179 MTHRDAKVSAXJLF-HDICACEKSA-N 418.566 4.802 0 40 HJAB Cc1noc2nc([C@@H]3CCCN(C(=O)Cc4cc(F)ccc4F)C3)cc(C(F)F)c12 19563935 DELDLEPHCYUZMF-GFCCVEGCSA-N 421.394 4.696 0 40 HJAB Cc1noc2nc([C@@H]3CCCN(C(=O)c4cc(C(C)C)no4)C3)cc(C(F)(F)F)c12 19564079 KVUOMLPMRYHFHH-GFCCVEGCSA-N 422.407 4.681 0 40 HJAB COc1ccc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c(C)c1C 19577307 DVERTLDTQPTTPZ-DEOSSOPVSA-N 423.601 4.823 0 40 HJAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 19694037 YECNHQJYOWVFBW-GOSISDBHSA-N 412.965 4.759 0 40 HJAB Cc1cc(C)c(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c(-c2cc(C)n[nH]2)c1 19717583 HCIBZCTZZUMDPU-UHFFFAOYSA-N 422.492 4.964 0 40 HJAB Cc1nn2c(nnc3c(=O)n(-c4cccc(Cl)c4Cl)ccc32)c1-c1ccccc1 19818933 RSJRRQVRIVDVPH-UHFFFAOYSA-N 422.275 4.711 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)c1 20107537 BOROSTLGWSYLFG-IBGZPJMESA-N 422.550 4.620 0 40 HJAB CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nccn2-c2cc(C)cc(C)c2)cc1 26046050 VTURYYZVDRRICT-QGZVFWFLSA-N 407.539 4.661 0 40 HJAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3csc(-c4cccnc4)n3)c2)C1 27663278 PSOCBIHFIPHJAY-IYBDPMFKSA-N 413.568 4.539 0 40 HJAB Cc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1NC(=O)c1ccccc1 32827314 AHIZYKQXUGJKAQ-UHFFFAOYSA-N 424.504 4.705 0 40 HJAB CCOC(=O)/C(=C/c1ccccc1C(F)(F)F)c1nc2sc(C)c(C)c2c(=O)[nH]1 33779782 QRVYRTSYRBQVEH-UKTHLTGXSA-N 422.428 4.724 0 40 HJAB COc1cc(CN(C)C(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1OC(F)F 36623041 BIWUMMSHJCSJDT-UHFFFAOYSA-N 420.239 4.884 0 40 HJAB O=C(NCCCc1ccccc1Cl)C1CCN(Cc2ccc(Cl)cc2)CC1 39752640 QDETUSOLWDIIOA-UHFFFAOYSA-N 405.369 4.954 0 40 HJAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1nnnn1-c1ccccc1 40127473 CWZAGWIQRBUFBV-OAHLLOKOSA-N 419.558 4.609 0 40 HJAB CC(C)N(Cc1ccccc1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 40132374 UFUBYZOIXFBQRJ-UHFFFAOYSA-N 407.535 4.711 0 40 HJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OC)c(OC)c1OC 44902420 KKQONLQTOXMXSH-KRWDZBQOSA-N 409.935 4.553 0 40 HJAB CCOc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 46078465 AHEDQIRMZVNCKS-UHFFFAOYSA-N 400.478 4.931 0 40 HJAB O=C(OCc1nc(-c2ccc(Br)cc2)no1)c1ccc(F)c(Cl)c1 51315151 LSEGJNYYAQXSJK-UHFFFAOYSA-N 411.614 4.649 0 40 HJAB CC1(C)Cc2cc(CN3CCC[C@H]3c3cncc(Nc4ccccn4)n3)ccc2O1 72376398 WBYJBXVYAPNIRI-FQEVSTJZSA-N 401.514 4.666 0 40 HJAB C[C@H](NC(=O)c1ccccc1NCc1cccnc1)c1cccc(Br)c1 78995468 XCJPBZHDFTXTCV-HNNXBMFYSA-N 410.315 4.947 0 40 HJAB COc1cc(C(=O)Nc2n[nH]c3c(Cl)cccc23)ccc1OCc1cscn1 89429293 FDERVWRSVPDHIA-UHFFFAOYSA-N 414.874 4.513 0 40 HJAB Cc1ccc2c(CC(=O)Nc3ccc(S(C)(=O)=O)c(C(F)F)c3)coc2c1C 95463541 ONCGUSDFWUGDIN-UHFFFAOYSA-N 407.438 4.572 0 40 HJAB C[C@H](CCc1ccccc1Cl)NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1 141542475 RXOGTENIGNELTE-OAHLLOKOSA-N 422.891 4.940 0 40 HJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(C)cc1C 223077765 MGNLRMMEWFWQCA-NRPPHEFGSA-N 402.494 4.935 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 223595611 QCORXKFAUBFIHK-QGZVFWFLSA-N 418.990 4.684 0 40 HJAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccc(C)cc1 224125587 VRBLFLFHNSGTCY-UHFFFAOYSA-N 404.466 4.793 0 40 HJAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 224621035 DWDJREMLMBORBV-FCHUYYIVSA-N 404.539 4.881 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 224874501 FCALZPFPVWMCPK-IBGZPJMESA-N 412.549 4.825 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 225120934 KQFBTOBAQZTGNJ-UNMCSNQZSA-N 424.585 4.631 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 225243082 JQNXVXLDUOEHBX-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB CCOC(=O)c1cc(NC(=S)N[C@H](C)COc2ccc(C)cc2)ccc1Cl 225642676 WORRQHDIZLOFPM-CQSZACIVSA-N 406.935 4.579 0 40 HJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225738784 HOFCTQOZOSTGMY-JXALWOEJSA-N 404.595 4.967 0 40 HJAB Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 225919171 WOZZVIGYCCOPDT-MRXNPFEDSA-N 421.570 4.768 0 40 HJAB Cc1cc(OCC(=O)Nc2cc(Cl)c3nc(NN)sc3c2)cc(C)c1Cl 226313438 XACGYVVPFYOIOL-UHFFFAOYSA-N 411.314 4.523 0 40 HJAB CCc1ccc(OCC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 408714049 HJOHKTCLRHEJJA-UHFFFAOYSA-N 407.514 4.634 0 40 HJAB COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F 409013388 UUHJCIDZLGNKGH-DEDYPNTBSA-N 418.424 4.511 0 40 HJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(Cl)c3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409101636 WVOQTIMGIAZIQD-DFHBCGBQSA-N 402.844 4.865 0 40 HJAB CCOc1cc(C)c(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1C(C)C 409393680 RZALOWKDDWPDBB-UUYOSTAYSA-N 406.551 4.904 0 40 HJAB C[C@@H]1CC[C@H](C(F)(F)F)CN1c1cc(N2C[C@H](C(F)(F)F)CC[C@H]2C)ncn1 681237725 HHENBTHAADGCFO-SYQHCUMBSA-N 410.406 4.811 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCC2 655388 ZHFGEVORUXINFH-UHFFFAOYSA-N 414.310 4.738 0 40 HJAB CCOc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 780480 IASBBGDPVPUUAH-UHFFFAOYSA-N 421.324 4.883 0 40 HJAB Cc1csc(-c2cc3cc(Br)cc(Br)c3oc2=O)n1 846065 AWPXDRGBSIYAGP-UHFFFAOYSA-N 401.079 4.750 0 40 HJAB COC(=O)c1nc2[nH]n(-c3ccccc3)c(=O)c2c2c1CCCCCCCCCC2 1592562 JFIGBWYMELVELZ-UHFFFAOYSA-N 407.514 4.720 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c1 2075805 IBTOSJSWABFMLO-NQIIRXRSSA-N 412.530 4.741 0 40 HJAB CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccc(Cl)cc2Cl)n1 2183429 JIDHWSBKIVNBSU-UHFFFAOYSA-N 416.378 4.990 0 40 HJAB CCOc1ccc(CONC(=O)COc2ccc(Cl)cc2Cl)cc1Cl 2294490 XAKGVCIWMNXAPA-UHFFFAOYSA-N 404.677 4.672 0 40 HJAB O=C(c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCCCCC1 2336155 YDGCLZKKGWGGAS-DEOSSOPVSA-N 408.567 4.520 0 40 HJAB Cc1ccc(N2C(=O)N(Cc3cc(C)ccc3C)c3ccccc3S2(=O)=O)cc1 2715878 HEQISBDTUCBYPL-UHFFFAOYSA-N 406.507 4.947 0 40 HJAB CCCCNC(=O)OC[C@]12CO[C@@H](c3ccc4c(c3)OCO4)[C@H](C(C)=C[C@@H]1C)[C@H]2C 4023515 IIOVNYVUSZTJQU-RANJDZCOSA-N 415.530 4.848 0 40 HJAB O=c1[nH]c(CSc2nnc(-c3ccco3)n2C2CCCCC2)nc2ccsc12 4492689 HWRDVHFKELQJLT-UHFFFAOYSA-N 413.528 4.634 0 40 HJAB COc1ccc(-c2noc(CN(C(=O)Nc3ccc(C)cc3)C(C)C)n2)cc1OC 4512821 CAJUWHWIBWCKGG-UHFFFAOYSA-N 410.474 4.505 0 40 HJAB Cc1ccc(C)c(NC(=O)O[C@H](C)CNC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1 4833029 ICXMOYCZBCELQD-JKIFEVAISA-N 413.345 4.948 0 40 HJAB O=C(CCn1c(=O)sc2ccccc21)NCCC(c1ccccc1)c1ccccc1 5015011 KVOJSVKNJYGVBM-UHFFFAOYSA-N 416.546 4.792 0 40 HJAB CC1CCN(CC(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccccc2)CC1 5451050 PYZJOABILHYLAO-UHFFFAOYSA-N 410.901 4.784 0 40 HJAB COc1ccc(C2=N/C(=C3/C=C(c4cccs4)Oc4ccccc43)C(=O)O2)cc1 5484307 BIFXMHYGYIVUFE-FXBPSFAMSA-N 401.443 4.905 0 40 HJAB Cc1ccccc1OCc1nc2ccccc2n1C[C@@H](O)COc1c(C)cccc1C 5590213 KMAORXHEWYUQIC-OAQYLSRUSA-N 416.521 4.980 0 40 HJAB CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 5710993 ZXQPFGVRKHFTFV-FDXBNDETSA-N 417.546 4.728 0 40 HJAB biogenic Cc1nn(-c2ccc(Cl)c(Cl)c2)c(N)c1[C@@H]1Sc2ccccc2NC1=O 6784442 YYJFINRNPRQFOD-INIZCTEOSA-N 405.310 4.855 0 40 HJAB COc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c(OC)c1 8071682 AQABGCNTDVDTGL-UHFFFAOYSA-N 416.271 4.656 0 40 HJAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1O 8112368 CYCBDLHJHRGOFJ-FRKPEAEDSA-N 410.278 4.944 0 40 HJAB Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@@H](C)c2ccccn2)c1 8720515 DIXIPLFDAOSSIW-KRWDZBQOSA-N 400.457 4.873 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCNc3cccc(F)c3)cc2)cc1 8783522 MNSKPOUWXYLVGB-UHFFFAOYSA-N 412.486 4.620 0 40 HJAB CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc21 8840924 CHNCAFCNZOGZKM-UHFFFAOYSA-N 424.925 4.605 0 40 HJAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C)cc1 9002250 ZAZCXFVNVUGBFZ-UHFFFAOYSA-N 401.509 4.619 0 40 HJAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1cc(Cl)cc(Cl)c1 9436179 HKVFROFLTHFMFD-UHFFFAOYSA-N 421.236 4.532 0 40 HJAB Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccccc3C)c3ccc(C)cc3c2=O)cc1 9855804 IAINAAHFHIEIIN-UHFFFAOYSA-N 424.500 4.796 0 40 HJAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1Br 11764494 QVYSTPVSLNTAMC-UHFFFAOYSA-N 423.314 4.833 0 40 HJAB Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1 12293488 KAJQPPIXJILCML-BJKOFHAPSA-N 403.522 4.532 0 40 HJAB O=C(NC1CC1)[C@H](Sc1nnc(Nc2ccccc2)s1)c1ccc(F)cc1 12476566 XKMJFIABEMUJQY-MRXNPFEDSA-N 400.504 4.533 0 40 HJAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc3ccccc3c1)n2Cc1ccccc1 12531781 WTPMZTORJJPQTK-UHFFFAOYSA-N 424.504 4.555 0 40 HJAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccccc2N2CCCC2)CC1=O 12537224 YUDBKLFFMHXZFJ-RBUKOAKNSA-N 405.542 4.792 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2ccccc2Cl)cc1 12756761 HBGBRCCVVQYNKV-AWEZNQCLSA-N 400.935 4.837 0 40 HJAB Cc1ccc([C@](O)(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C(F)(F)F)o1 14241788 HASAMKIVRDSMMV-QLJPJBMISA-N 410.219 4.912 0 40 HJAB COc1ccc(OCC(=O)N(C)[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 15670863 FDZVQRWWWPSSRY-VWLOTQADSA-N 400.478 4.803 0 40 HJAB O[C@@]1(c2ccccn2)CC[C@H]2CN(Cc3ccccc3OCc3cccc(F)c3)C[C@H]21 19349442 ZQNNSGCMLTTXQQ-CLLDFNAGSA-N 418.512 4.529 0 40 HJAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ccccc1Oc1ccc(F)cc1 19349980 KRZYOWMCTKQAQJ-UHFFFAOYSA-N 404.401 4.634 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C)cc2)c1 20046931 VSKRNTIPAYIVBJ-SFHVURJKSA-N 424.522 4.510 0 40 HJAB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 20139811 SFLDHGNRHBWQRQ-UHFFFAOYSA-N 416.227 4.668 0 40 HJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1cc(C)ccc1C(C)C 20144126 FTKIVRKPWNTXNC-UHFFFAOYSA-N 409.482 4.897 0 40 HJAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)Nc1ccc(F)c(Cl)c1 21882462 GAQAHMPSLXUMHG-UHFFFAOYSA-N 419.909 4.617 0 40 HJAB CCn1c2ccccc2c2nnc(SCC(=O)N3CCC[C@H]3c3cccs3)nc21 24633706 YOYNILYSKMNEMC-INIZCTEOSA-N 423.567 4.517 0 40 HJAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccnn1Cc1ccc(Cl)cc1 25062366 CMQBESXKLSMYOK-UHFFFAOYSA-N 412.902 4.791 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)c2cc3c(nc4sccn43)s2)cc1OC 25617424 VHVRNNABQCLDMW-ZDUSSCGKSA-N 413.524 4.605 0 40 HJAB Cc1nc2ccc(C(=O)Nc3nnc(SCCc4ccccc4)s3)cc2nc1C 28539729 DWLCICVDWYBFDQ-UHFFFAOYSA-N 421.551 4.685 0 40 HJAB CC(C)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2c(Cl)cccc21 32105228 GHUVHWXBZDXLNY-HSZRJFAPSA-N 420.900 4.806 0 40 HJAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 32197006 PKRSZBHJKSWJOY-UHFFFAOYSA-N 416.569 4.749 0 40 HJAB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Br)c([N+](=O)[O-])c1 32752662 UEAVWSDIALWLJL-KPKJPENVSA-N 420.650 4.865 0 40 HJAB Cc1ccc(-c2nn3c(c2C)N=C(O)C[C@H]3C(=O)Nc2cc(F)c(F)c(F)c2)cc1 35684970 ONAOZWMLCNKCEP-INIZCTEOSA-N 414.387 4.756 0 40 HJAB CCOC(=O)c1cnn(-c2ccc(NC(=O)N3CCC[C@@H]3c3ccsc3)cc2)c1C 40121381 NJJFLOLVOIRJEF-HXUWFJFHSA-N 424.526 4.788 0 40 HJAB COc1cc(C(=O)Nc2nccs2)ccc1OCc1ccc(Br)cc1 40128180 ZUSPCOSQSXYUJZ-UHFFFAOYSA-N 419.300 4.746 0 40 HJAB Cc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 44852906 AHGUTMLPQDVDES-KRWDZBQOSA-N 418.940 4.583 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)NC2CCCCCCC2)cc1 48991075 AKLDKVRLLMUVGB-UHFFFAOYSA-N 420.600 4.724 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1 55688411 FZTHQJWTFGACRQ-UHFFFAOYSA-N 406.935 4.512 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C 57426022 PQTOFGYPZHZYCR-UHFFFAOYSA-N 415.584 4.852 0 40 HJAB CC(C)CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2ccsc2c1=O 57426073 SNFHIEPHTQJVRN-UHFFFAOYSA-N 423.510 4.513 0 40 HJAB CCc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)NCc2ccco2)cc1 67298916 RZBBGAAFWZPZBM-LCUIJRPUSA-N 402.450 4.759 0 40 HJAB O=C(NCc1cccnc1)NC1(Cc2ccc(Br)cc2)CCCCC1 72286678 BXHSYPYIEJUIHQ-UHFFFAOYSA-N 402.336 4.589 0 40 HJAB CCCCOc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)[nH]n2)cc1 72331576 YUUCJCYBBMJCAV-MRXNPFEDSA-N 423.513 4.764 0 40 HJAB c1cnc2ccc(CN3CCCC[C@@H]3c3ccnc(Nc4nccs4)n3)cc2c1 72377994 GTNFVYIIMFNSEP-HXUWFJFHSA-N 402.527 4.952 0 40 HJAB CC(C)(C)OC(=O)Cc1ccccc1NC(=O)CCSc1ccc(F)c(F)c1 78951106 DVAQPVWMDNJHLA-UHFFFAOYSA-N 407.482 4.970 0 40 HJAB CC(C)(C)OC(=O)N1CCN(c2c(Br)cccc2C(F)(F)F)CC1 95081628 TUCSYLUFUDHKLC-UHFFFAOYSA-N 409.246 4.525 0 40 HJAB Fc1c(Br)c(Br)cc(Br)c1Br 96171638 CWUMVTAGPWQJFY-UHFFFAOYSA-N 411.688 4.876 0 40 HJAB CCc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3c2ccc(OC)cc2)cc1 101087103 IHEBUDZREPLZNF-QHCPKHFHSA-N 410.477 4.516 0 40 HJAB C[C@@H](NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)[C@H]1C[C@H]2CC[C@H]1C2 102636473 DVINDJUGXNNONL-ZOBORPQBSA-N 418.419 4.563 0 40 HJAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4cc(F)cc(F)c4)C3=C(O)C2)cc1 102699452 BUFYLCGNQBHVOI-LRTDBIEQSA-N 408.408 4.630 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCC1 222994064 YDYQXVMYNPEXBK-QHCPKHFHSA-N 406.526 4.598 0 40 HJAB CC(C)(C)c1ccc(OCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 223656754 CIWMTNGYFAKEBB-HXUWFJFHSA-N 412.549 4.530 0 40 HJAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(OC)cc1 224602975 NBCUJLNADZPGRA-UHFFFAOYSA-N 417.505 4.871 0 40 HJAB COC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)OCc2ccccc2)[C@@H]1c1ccccc1 245380355 XGDIQUYLBYNUFA-WAPCQROESA-N 400.474 4.716 0 40 HJAB O=C(Nc1cc(CCC2CCN(Cc3ccccn3)CC2)ccn1)c1ccc(F)cc1 257270022 MSMLXSDSBXZAOZ-UHFFFAOYSA-N 418.516 4.713 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(C)c1 408682311 XCKQHCKXOQVIOE-SFHVURJKSA-N 424.522 4.510 0 40 HJAB O=C(O)[C@@H]1CS[C@H](c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)N1 408809090 HUWDGEXYQUYVBT-FUHWJXTLSA-N 407.322 4.785 0 40 HJAB O=C(NC1CCCCCCC1)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 409003325 RWKFFXWFXYZAND-DEOSSOPVSA-N 420.553 4.979 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 409382549 SVYFSTODNKYTIR-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB O=C(c1ccc(Sc2ccc(Cl)cc2)cc1)N1CCS[C@@H]2COCC[C@@H]21 540214744 HNHYINBBUMMWNG-RBUKOAKNSA-N 405.972 4.838 0 40 HJAB Cc1nc(C(C)(C)c2ccccc2)sc1-c1nc(Cc2ccc(C(N)=O)cc2)no1 546331160 GCIBERPZHXPWJA-UHFFFAOYSA-N 418.522 4.517 0 40 HJAB Cc1cccc(C(=O)N2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)c1 2037912584 PCXXJOYBDLEAIF-HSZRJFAPSA-N 401.934 4.701 0 40 HJAB COc1ccc(C)cc1NC(=O)CSc1nnc2c(C)cc3cc(C)c(C)cc3n12 1223261 IXUZCKHXBCRAJF-UHFFFAOYSA-N 420.538 4.856 0 40 HJAB COc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(C(C)C)cc4)no3)C2)c1 1360236 FBPSZRBDRDPXCM-FQEVSTJZSA-N 405.498 4.888 0 40 HJAB COc1cc2c(cc1OC)-c1cc(Oc3cc(Cl)ccc3Cl)nc(=O)n1CC2 2239341 OJXHMBMMAQBMEU-UHFFFAOYSA-N 419.264 4.583 0 40 HJAB COc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1 3240006 YZCFPIQMJWSCPG-UHFFFAOYSA-N 416.506 4.621 0 40 HJAB Cc1cc2oc(=O)cc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)c2cc1Cl 3350435 JOTBQDGDIQPDAW-UHFFFAOYSA-N 404.171 4.637 0 40 HJAB Cc1ccc(-c2csc3ncnc(OCC(=O)NCc4ccc(F)cc4)c23)cc1 3365950 XAADHCIMEBDHOS-UHFFFAOYSA-N 407.470 4.501 0 40 HJAB O=C(c1ccc(-c2ccccc2)cc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccccc1 4286273 DHWWPWWXZPABAP-JOCHJYFZSA-N 410.395 4.963 0 40 HJAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)C2CCCC2)c1 4353872 GPMZRBFSLCSIBP-UHFFFAOYSA-N 408.454 4.831 0 40 HJAB COc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3cccc(OC)c3)o2)c1 4722501 AYCASLARPRSPKO-UHFFFAOYSA-N 401.422 4.673 0 40 HJAB CCCCn1nc(NC(=O)c2ccccc2OC)c2cc3cc(OC)ccc3nc21 5562708 KVZRCANXCHOZOB-UHFFFAOYSA-N 404.470 4.654 0 40 HJAB COc1cc([C@@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1cccc(C)c1 6678789 JPLRPUXIOQWNEG-VFNWGFHPSA-N 423.538 4.777 0 40 HJAB COc1ccc2cc(CN(C)C(=O)CSc3ccc4c(c3)OCCCO4)ccc2c1 7021708 YWXBKPYBFFISSE-UHFFFAOYSA-N 423.534 4.760 0 40 HJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2I)cc1 7073137 AIILOJMEKCUVQZ-CYBMUJFWSA-N 409.267 4.822 0 40 HJAB CCOc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2cccnc2)cc1 7737154 FXROBVVEYYDREM-UHFFFAOYSA-N 418.522 4.899 0 40 HJAB COc1cccc(NC(=O)[C@H](Sc2nnc(NC3CC3)s2)c2ccccc2)c1 7990893 BTJXPYMXTRMXAY-QGZVFWFLSA-N 412.540 4.593 0 40 HJAB CCOC(=O)c1c(NC(=O)Cc2csc(-c3ccccc3)n2)sc2c1CCC2 7995713 WAAFGEVTAVHRGN-UHFFFAOYSA-N 412.536 4.718 0 40 HJAB Cc1ccc(C(=O)CCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1C 8303326 WVAPONZXZFQKSN-UHFFFAOYSA-N 421.324 4.670 0 40 HJAB Fc1ccc(OCCCSc2nc(-c3ccccc3Br)n[nH]2)cc1 8394999 BLQQKLNTRUHSNK-UHFFFAOYSA-N 408.296 4.935 0 40 HJAB COc1ccc(NC(=O)N(Cc2cc(C)cc(C)c2)c2nnc3n2CCCCC3)cc1 8549024 IRTXALQWKCDPDB-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)[nH]2)cc1 9199626 YCUMJOSKXFNREE-UHFFFAOYSA-N 410.543 4.899 0 40 HJAB CCOc1ccc(CC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1 9455087 QLIQVJLUZIJWSN-UHFFFAOYSA-N 416.525 4.714 0 40 HJAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCCCCC2)cc1 11905300 MJPOGSASGJAVCH-HSZRJFAPSA-N 403.526 4.997 0 40 HJAB O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ccc2c(c1)CCC2 12675535 YTTZCRXATDNPLC-UHFFFAOYSA-N 415.902 4.522 0 40 HJAB Cc1nc(CSCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cs1 12785396 MXZXIEPMZHHQQS-UHFFFAOYSA-N 402.516 4.933 0 40 HJAB CCCn1c(SCC(=O)N(C)Cc2ccccc2F)nnc1-c1cccc(C)c1 12911956 SMYYHNYGKXVOMN-UHFFFAOYSA-N 412.534 4.553 0 40 HJAB CCCc1cc(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cs1 19525247 CHRQTTFADGRJFI-FQEVSTJZSA-N 421.570 4.596 0 40 HJAB COc1ccc(OC)c(CN2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1 19574861 ADOTZEHONBSLPV-XVGQJIODSA-N 424.467 4.545 0 40 HJAB O=C(NC1CCCCCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20484395 IDOASWKRTXYURF-UHFFFAOYSA-N 406.935 4.593 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 20610499 QOPDZEXIUOCELK-UHFFFAOYSA-N 416.481 4.813 0 40 HJAB Cc1ccn(-c2ccc(NC(=O)c3ccc(OCc4c(C)noc4C)cc3)cc2)n1 20616311 QJMCYDQYCAGTKS-UHFFFAOYSA-N 402.454 4.617 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cnc2scc(-c3ccc(C)cc3)n2c1=O 20768047 MVZVJEUAEKZWBV-UHFFFAOYSA-N 403.507 4.855 0 40 HJAB O=c1[nH]c(CN2CCc3ccccc3C2)nc2scc(-c3ccc(Cl)cc3)c12 21821788 SOPLYLXNJOUAQD-UHFFFAOYSA-N 407.926 4.863 0 40 HJAB Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1C 24813491 PVOKIYZQSUZTQJ-UHFFFAOYSA-N 415.331 4.557 0 40 HJAB Cc1ccc(C)c(NC(=O)c2c(N)n(C(=O)c3ccc(F)cc3)c3ccccc23)c1 28535241 ALOJTEAKURBXNS-UHFFFAOYSA-N 401.441 4.920 0 40 HJAB CC(=O)c1sc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)nc1-c1ccccc1 28701271 IMUHLGAARNXVGG-LJQANCHMSA-N 422.506 4.823 0 40 HJAB O=C(Nc1nnc(C2CCCCC2)s1)c1cnc2c(cnn2Cc2ccccc2)c1 29090217 IYVLOHDQYZLWTQ-UHFFFAOYSA-N 418.526 4.631 0 40 HJAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccccc1OC(F)F 29195212 ILHJARLGBUJUDM-IBGZPJMESA-N 420.506 4.997 0 40 HJAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2ccccc2OC(F)F)cc1 31079274 QZSBUSWOXRSVCR-UHFFFAOYSA-N 410.464 4.947 0 40 HJAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4cccc(C)c4)cc3)n2)cc1 32578984 KJRWPUXRJXNWCZ-UHFFFAOYSA-N 413.477 4.716 0 40 HJAB CCSCn1nnc(-c2ccc(OC)cc2)c1C(=O)Nc1ccc(Cl)cc1 32611870 ITPYTOHKPXSPOK-UHFFFAOYSA-N 402.907 4.570 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1(c2cccc(Cl)c2)CC1 32764433 IQMQXNVFEGNGPS-UHFFFAOYSA-N 424.850 4.878 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(SCc2cccs2)s1)c1ccccc1 32823795 BWAUVZBXYNQLJN-GFCCVEGCSA-N 407.611 4.861 0 40 HJAB Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNCS(=O)(=O)c2ccc(F)cc2)C1(C)C 33434064 KYMABHKBLRJVOF-DENIHFKCSA-N 414.546 4.766 0 40 HJAB COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1OC 38772566 KKJYTOXHBVAIKH-SFHVURJKSA-N 416.521 4.758 0 40 HJAB Cc1[nH]c(SCC(=O)NCC2(c3ccccc3)CCC2)nc1Cc1ccccc1 40039028 RMEQYKKMQNSCMG-UHFFFAOYSA-N 405.567 4.639 0 40 HJAB COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 44937305 QGCRJNXPOJDESY-XMMPIXPASA-N 412.549 4.950 0 40 HJAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1ccc2ncsc2c1 49509502 BTFIIIZVRVKTPO-UHFFFAOYSA-N 405.504 4.813 0 40 HJAB Cc1ccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)c(Cl)c1 57317297 SXFLKIGBOMUCOA-UHFFFAOYSA-N 421.221 4.821 0 40 HJAB CCOc1cc(CNC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)ccc1OC 57413852 MIKIDOFOZYVAMR-UHFFFAOYSA-N 401.466 4.567 0 40 HJAB O=C(Nc1ccc(CCN2CCSCC2)cc1)c1csc(-c2ccsc2)n1 62582641 HCGDGICGNOIEKJ-UHFFFAOYSA-N 415.609 4.715 0 40 HJAB O=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1ccc(C(F)(F)F)cc1 72330850 ILDCWAPKZJPPBF-UHFFFAOYSA-N 422.186 4.573 0 40 HJAB O=C(Nc1ccc(F)cc1NC(=O)c1cc2ccccc2c(Cl)n1)c1ccccn1 95954858 GCIPOYGYRPVDCI-UHFFFAOYSA-N 420.831 4.927 0 40 HJAB COc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NCC2CC2)c2ccccc23)cc1 96052676 SLZZWDNVAGFQER-JOCHJYFZSA-N 418.581 4.633 0 40 HJAB CN(Cc1ccccn1)C(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96147708 IQGCFYQMZVYCGH-UHFFFAOYSA-N 423.520 4.689 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219326329 OSFAWFVVKINFRD-QGZVFWFLSA-N 420.296 4.859 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2cccc(SC)c2)cc1 223095614 IZMPNJSCSYUVDN-ZHZULCJRSA-N 424.547 4.888 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C 223665817 ZUDGHBNHQDQBNS-HSZRJFAPSA-N 424.585 4.577 0 40 HJAB CCCC[C@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 224088819 VOZGTCMMMYWXKZ-SFHVURJKSA-N 402.560 4.742 0 40 HJAB CC(C)Oc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 224108930 HMZUDJUGSXZZJD-UHFFFAOYSA-N 424.522 4.551 0 40 HJAB Cc1ccccc1OCCNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 224544832 GFFTWBVKXJDRBR-UHFFFAOYSA-N 421.368 4.709 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 224767295 WBWKFMRXMGTIMK-HXUWFJFHSA-N 424.585 4.615 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCCC1 224847935 LUNOMFRLXSALED-IBGZPJMESA-N 410.533 4.543 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 225170582 VXQRYAGLZGJQNF-ZWKOTPCHSA-N 400.950 4.523 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 225240588 LYMXLJHAJLAMJM-DLBZAZTESA-N 418.940 4.744 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 225454219 KCXFNWJDLJXNEN-QGZVFWFLSA-N 418.990 4.515 0 40 HJAB Cc1ccccc1CN(C(=O)CSc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)C 225477477 FBIMIAQDDNAJMI-QGZVFWFLSA-N 418.990 4.682 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 225715267 DFNLXPQWIMXCRU-JXALWOEJSA-N 402.579 4.864 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225719291 IEHVDWKMMXRVFM-FQEVSTJZSA-N 421.368 4.868 0 40 HJAB OCc1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 226340684 LTBGVEIXXOZQFM-UHFFFAOYSA-N 406.501 4.936 0 40 HJAB CCCCc1ccc(-c2nc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)sc2C)cc1 239425753 VEUVAJJBHUDSHS-CADBVGFASA-N 410.539 4.923 0 40 HJAB COc1cccc(CN(CC(=O)O)C(=O)c2ccccc2Oc2ccc(C)cc2)c1 257323567 WKXRBWZNMGVACX-UHFFFAOYSA-N 405.450 4.523 0 40 HJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3cc(F)ccc3F)CC2)n1 257341622 ZLCUFGMQRLPQPL-UHFFFAOYSA-N 411.452 4.905 0 40 HJAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccc(C)c(C)c2)o1 408638289 QUKGKZNDTRVVFT-UHFFFAOYSA-N 403.891 4.746 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 408639618 GCJDZPRCWMRVBP-PBHICJAKSA-N 415.331 4.560 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)cc1 408641326 JXGATEGDILLNBW-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408703027 DDZOCLDOYVSZJO-UHFFFAOYSA-N 414.914 4.729 0 40 HJAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)COc1ccc(Cl)cc1 408714522 SSJASDICEYSREI-UHFFFAOYSA-N 413.905 4.725 0 40 HJAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)c1 409360069 OQLQMJWMYUANSB-DEDYPNTBSA-N 418.474 4.523 0 40 HJAB O[C@H](C1CCN(c2nc(-c3ccccc3C(F)(F)F)cs2)CC1)C(F)(F)F 531966223 RYAVHTHXCNSCFL-CQSZACIVSA-N 410.383 4.969 0 40 HJAB CN1CC2(CCCCc3ccccc3OCC1=O)CCN(CC1CCCCC1)CC2 643588267 CYXVZXRQSKQYGR-UHFFFAOYSA-N 412.618 4.913 0 40 HJAB Brc1ccc2nc(N3CCC(c4nnc(C5CC5)o4)CC3)sc2c1 1888913972 LJTGSKQFKWFRSM-UHFFFAOYSA-N 405.321 4.703 0 40 HJAB Cc1ccc(C)c(OC[C@@]2(O)CN([C@H]3CC[C@H](c4ccccc4)CC3)CC[C@@H]2O)c1C 2037949756 HYLLSVIPGGTLEI-XLXZRNDBSA-N 423.597 4.515 0 40 HJAB O=C(NCc1cccs1)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 674413 YLYOLGJBIXUJEP-OCCSQVGLSA-N 412.462 4.596 0 40 HJAB C[C@H](Sc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)C(=O)Nc1ccccc1 886652 CYRHGTMHNKDFPD-INIZCTEOSA-N 416.506 4.759 0 40 HJAB O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccco1 939534 UNEPQNSJOQNWJW-HSZRJFAPSA-N 401.491 4.907 0 40 HJAB CC1(C)Cc2c(sc3ncn4nc(COc5cccc6ccccc56)nc4c23)CO1 1300302 WCXMWYHCRBNBPC-UHFFFAOYSA-N 416.506 4.923 0 40 HJAB Cc1cc2nc(-c3ccc(SCC(=O)NCCc4ccccc4)nc3)[nH]c2cc1C 1329757 LTKNOAZRRTUGLS-UHFFFAOYSA-N 416.550 4.693 0 40 HJAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ncc(Cl)cc1Cl 2621421 ASAAJVLPVBKVQO-UHFFFAOYSA-N 420.325 4.577 0 40 HJAB Cc1ccccc1O[C@H]1C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 2740864 SRBMJECEOPMKOG-DHIUTWEWSA-N 421.880 4.908 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)NCCC3=CCCCC3)s2)cc1C 3282359 ZEBNGSNTELPBOY-UHFFFAOYSA-N 402.589 4.997 0 40 HJAB Cc1cc(OC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)n(-c2ccc(Cl)cc2)n1 3348803 NJMUOJGGWXVXDU-FQEVSTJZSA-N 412.873 4.611 0 40 HJAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(Br)cc1 4033090 XQCGAFBXQCORRM-UHFFFAOYSA-N 407.271 4.720 0 40 HJAB COCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)c1ccccc1OC 4880846 LNCFMRZQDPCGND-UHFFFAOYSA-N 412.917 4.802 0 40 HJAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 5213566 BQDSKMODOIRYHK-AWEZNQCLSA-N 401.919 4.620 0 40 HJAB C[C@@H]1CCN(C(=O)CSc2nc(-c3cccs3)n[nH]2)c2ccccc2S1 6035348 GMAZVOBLBNBODF-GFCCVEGCSA-N 402.570 4.543 0 40 HJAB COc1ccc(C(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)cc1F 7853058 XOKYVPLAICOQMV-UHFFFAOYSA-N 414.483 4.526 0 40 HJAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O 7882128 CLYDDFTXIJRRON-TZMCWYRMSA-N 410.823 4.907 0 40 HJAB CCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCc2cccs2)c(OC)c1 8339054 SOYNGKNYOPFBFX-UHFFFAOYSA-N 410.952 4.549 0 40 HJAB COc1ccc(N(Cc2cccs2)C(=O)CSc2nc3ccccc3n2C)cc1 8966025 VTAXJRLALLVTKE-UHFFFAOYSA-N 423.563 4.969 0 40 HJAB CCn1c(-n2nc(C)cc2NC(=O)c2cccc(Br)c2)nc2ccccc21 9243532 OCWJXGAZRMFGLT-UHFFFAOYSA-N 424.302 4.565 0 40 HJAB O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1ccccc1F 9366810 RUPHWHKVHUCKJW-UHFFFAOYSA-N 424.320 4.984 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(Br)s1 9500303 MPMZWYLTDDJNME-UHFFFAOYSA-N 422.373 4.688 0 40 HJAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1cccc(Cl)c1 9683242 WMVGSYCYUJBCIM-UHFFFAOYSA-N 420.852 4.621 0 40 HJAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1ccc(Cl)cc1 10448279 LISAKDSHQOEJCD-UHFFFAOYSA-N 418.324 4.601 0 40 HJAB C[C@@H](CNC(=O)COc1cccc2ccccc12)c1nc2ccccc2n1C(F)F 10637003 MKRQOXHZHBKWCF-HNNXBMFYSA-N 409.436 4.883 0 40 HJAB Cc1occc1-c1nc(N2CCC(N3CCCCC3)CC2)ncc1-c1ccncc1 12222823 POSFWTNWHRKUTE-UHFFFAOYSA-N 403.530 4.562 0 40 HJAB CC(C)(C)C(=O)NCCc1nc2ccccc2n1CCOc1ccc2ccccc2c1 12539541 RDKATWFMDASPLQ-UHFFFAOYSA-N 415.537 4.973 0 40 HJAB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2SCC(=O)N2C[C@@H]2CCCO2)cc1 13013745 OJFNMYQBRXBWEC-GBXCKJPGSA-N 419.550 4.601 0 40 HJAB CC(C)[C@@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(=O)N[C@@H]1CCCc2ccccc21 13548452 BZZNNEANKNPIGA-WXFUMESZSA-N 419.569 4.582 0 40 HJAB COc1ccc(Br)cc1CN(C)C(=O)c1ccc(COC(C)C)cc1 14119347 HKTPNRGHXTXFOP-UHFFFAOYSA-N 406.320 4.655 0 40 HJAB O=C(Nc1ccc(Br)cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 14609392 CDCVJJWTPVHOGO-UHFFFAOYSA-N 419.282 4.949 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cccc(N(C)C)c1)CC2 16002272 OUJGYUDOAIVNLL-VWLOTQADSA-N 416.521 4.558 0 40 HJAB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=S)N[C@@H]1c1ccc(F)cc1 16059757 ZPYALHKYKHHNAG-QGZVFWFLSA-N 424.419 4.727 0 40 HJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(I)c(C)n2)cc1 17093778 BBEDTDCYGLLGLQ-LBPRGKRZSA-N 424.282 4.526 0 40 HJAB Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@H]2c2ccc(C)cc2)cc1 18093896 XFKPMLMJZTXYPT-QHCPKHFHSA-N 413.546 4.872 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)N2CCC[C@@H](c3cc4ncccc4cn3)C2)cc1 19084502 JZZODLLTAVTLCU-LJQANCHMSA-N 403.526 4.712 0 40 HJAB Fc1ccc(-c2nc3sccn3c2CN(Cc2ccccn2)C[C@@H]2CCCO2)cc1 19663010 CRUNDFRCVZJROY-FQEVSTJZSA-N 422.529 4.778 0 40 HJAB COc1ccccc1N1CCN(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 20663569 FWGZNSCSDLKNKL-UHFFFAOYSA-N 421.500 4.781 0 40 HJAB Cc1ccn2c(NC(=O)c3ccc4c(c3)OCCCO4)c(-c3ccc(F)cc3)nc2c1 21826802 QCWQPUSZVOLLQM-UHFFFAOYSA-N 417.440 4.862 0 40 HJAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)Cc1nc(-c2cccs2)no1 24572846 IAKNXGIXTUITFT-KRWDZBQOSA-N 405.907 4.578 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CCCC2)cc1 28287937 XDJPBCZBJMRTCY-JOCHJYFZSA-N 406.526 4.934 0 40 HJAB Cc1c([C@H](C)NC(=O)c2cc(C3CC3)on2)cnn1-c1cccc(C(F)(F)F)c1 29295360 CAFTUFNRMAJSOI-NSHDSACASA-N 404.392 4.556 0 40 HJAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(Cc2cc3ccccc3nc2Cl)C1=O 30345921 UFYFRLRUSVEMRM-QFIPXVFZSA-N 405.841 4.602 0 40 HJAB CCOc1ccccc1-c1noc(CSCC(=O)NC2CCCCCCC2)n1 31419404 AOWSUGUVTJXGOU-UHFFFAOYSA-N 403.548 4.598 0 40 HJAB COc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1Cl 40058360 LFEUEPVJUMBPHL-UHFFFAOYSA-N 413.758 4.945 0 40 HJAB O=c1[nH]c(N2CCc3ccccc32)nc2nccc(/C=C/c3ccc(Cl)cc3)c12 40388577 DZPXIDQXTGCXIC-VMPITWQZSA-N 400.869 4.836 0 40 HJAB CC(C)OCCCN1C(=O)c2c(oc3ccccc3c2=O)[C@H]1c1ccc(Cl)cc1 41104996 LLIGJHWESQBFFN-HXUWFJFHSA-N 411.885 4.807 0 40 HJAB COc1ccc(Br)cc1/C=C/C(=O)Nc1c(Cl)ccc2nsnc12 59294302 MTJFRRUXVBVVNS-FARCUNLSSA-N 424.707 4.768 0 40 HJAB Cc1ccc(OCc2nc3ccccc3n2C[C@@H](O)COc2ccc(C)c(C)c2)cc1 82086812 CWSQBFQPUMSWMO-OAQYLSRUSA-N 416.521 4.980 0 40 HJAB O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC(CCCN2CCOCC2)CC1 95946242 FJCRRAKXSPEICW-UHFFFAOYSA-N 423.557 4.835 0 40 HJAB O=S(=O)(Nc1ccc(Cl)cc1)c1cc(Br)cc(C(F)(F)F)c1 98072970 HCWSMPQCMLTUPO-UHFFFAOYSA-N 414.630 4.922 0 40 HJAB CCn1cc(-c2cc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c3ccccc3n2)c(C)n1 102630324 APRSLILKLAXMSM-HYJFEMIMSA-N 402.542 4.981 0 40 HJAB COc1cccc([C@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(O)=C32)c1OC 102740697 LKOILKYLAUZILG-BBATYDOGSA-N 424.482 4.777 0 40 HJAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 109144075 GCTUWNWNOCVPLE-HZMBPMFUSA-N 400.331 4.830 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccccc2C)cc1 223349873 IAHIHVBVLSNWQG-WPGBELRESA-N 420.534 4.713 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223649388 RWZHBFYVJZVCJG-XMSQKQJNSA-N 414.977 4.995 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1C 224975196 ZSROLSJNNYUNGH-WOJBJXKFSA-N 412.599 4.560 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2Br)c(I)c1 225010839 CHKWVNHKFBKIBZ-UHFFFAOYSA-N 416.056 4.614 0 40 HJAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccc(OC)c(C)c1 225036949 VJRSWIIAKYGRGZ-CYBMUJFWSA-N 418.342 4.749 0 40 HJAB CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc2ccccc2c1 225067514 RDKPAVKQFLRHES-UHFFFAOYSA-N 405.903 4.726 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 225207569 XLSRDFUCIZHTPH-CVEARBPZSA-N 421.368 4.868 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 225254326 IXEBKRPRFJZKIR-NRFANRHFSA-N 416.562 4.560 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 225577205 RHGBLRXALBUAEH-JTHBVZDNSA-N 424.585 4.713 0 40 HJAB CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1C(=O)OC 225853768 HHIQLGUTPHHEGM-SBUREZEXSA-N 405.535 4.966 0 40 HJAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)c1 408638362 CICQJFJALIFTFZ-INIZCTEOSA-N 415.331 4.674 0 40 HJAB CCOc1ccc(N2C[C@H](C(=O)NC3CCC(C(C)(C)CC)CC3)CC2=O)cc1 408707107 GXRTZLHMIKXADK-LMDPOFIKSA-N 400.563 4.549 0 40 HJAB COc1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1Br 409051304 KMKKRAKUYZPIPS-UHFFFAOYSA-N 415.312 4.932 0 40 HJAB COc1ccc(C(=O)CCCCC(=O)Nc2ccc(Oc3cnccn3)cc2)cc1 1540946086 SMGODFGRQDQZQP-UHFFFAOYSA-N 405.454 4.659 0 40 HJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1cc(Br)cs1 1775966628 QCUADJTWBHJGDM-HNNXBMFYSA-N 408.342 4.703 0 40 HJAB CC(C)C[C@H](C(=O)NC1CCCC1)N(C(=O)c1ccc(Cl)nc1)c1ccccc1 1328791 MPPMBGBNBVDYOS-HXUWFJFHSA-N 413.949 4.855 0 40 HJAB CCCCOc1ccc(C(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)cc1 2181801 HLLDIEVWAGHEPU-UHFFFAOYSA-N 407.499 4.592 0 40 HJAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccccc2F)cc1 2248468 KZKULMRJPQFDSJ-UHFFFAOYSA-N 404.441 4.680 0 40 HJAB COc1ccc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)cc1OC 2336236 MSPFMGICNPKZKN-UHFFFAOYSA-N 407.282 4.844 0 40 HJAB CCOc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 2887524 ISKUVNFWGKRPSZ-UHFFFAOYSA-N 401.919 4.837 0 40 HJAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)c1ccc(Br)cc1 3220028 XAMVIFSRKLDNQT-UHFFFAOYSA-N 405.263 4.826 0 40 HJAB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)c2cccc(Br)c2)cc1 3349360 OOIREHGTRHIFRY-UHFFFAOYSA-N 419.315 4.942 0 40 HJAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3cccc(Cl)c3)N2C1=O 3636728 FDXHNMGPBAILOV-RDJZCZTQSA-N 406.935 4.578 0 40 HJAB O=C(O)CCC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 4141009 UIZUUVXQIBFHTF-FSHDWPLLSA-N 424.447 4.953 0 40 HJAB O=C(C=Cc1ccc(OCC(=O)c2cc3ccccc3oc2=O)cc1)c1ccccc1 4267861 WKVSQMZZRJLJJT-UHFFFAOYSA-N 410.425 4.951 0 40 HJAB biogenic CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O 4305738 YENSLBUMEMWSDJ-VWLOTQADSA-N 404.510 4.774 0 40 HJAB O=C(Nc1ccccc1)c1ccc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 4313378 HVXVQJLQNVPFRI-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)c(C)c1 4556241 RCURUMVKQYHKLH-SANMLTNESA-N 417.480 4.758 0 40 HJAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)Cc1ccccc1 4703879 FJQHEJLIFYDCMM-UHFFFAOYSA-N 401.491 4.859 0 40 HJAB O=S(=O)(Nc1ccccc1)c1ccccc1C(O)(c1ccccc1)c1ccccc1 4809113 DPRGOSCIGNZHPY-UHFFFAOYSA-N 415.514 4.772 0 40 HJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc(Cl)ccc1OC 4973326 RKZDJTDGINSFGB-UHFFFAOYSA-N 409.829 4.813 0 40 HJAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 5094784 QWAQYPGQLGNARW-MMDVMMEASA-N 411.310 4.802 0 40 HJAB COc1ccc(-c2cc3ccc(OC(=O)c4cccs4)cc3oc2=O)c(OC)c1 5269503 XSGGCJSWSPVEFM-UHFFFAOYSA-N 408.431 4.758 0 40 HJAB biogenic Cc1cccc(C2=N/C(=C/c3ccc(OC(=O)c4ccccc4F)cc3)C(=O)O2)c1 5602713 CLEADQGWHCAKRW-KGENOOAVSA-N 401.393 4.698 0 40 HJAB Cc1cccc(C(=O)N(Cc2ccc(Cl)cc2)Cc2nc3ccccc3c(=O)[nH]2)c1 5626097 PIARGQLBOKLWPZ-UHFFFAOYSA-N 417.896 4.728 0 40 HJAB COc1ccc2c(c1OC)C(=O)N(c1nc(C34CC5CC(CC(C5)C3)C4)cs1)C2 5918486 RKTDKANOXAASNS-UHFFFAOYSA-N 410.539 4.789 0 40 HJAB COC(=O)c1c(NC(=O)CN2CC=C(c3ccccc3)CC2)sc2c1CCCCC2 5944208 NAJOOCQKCGGQMV-UHFFFAOYSA-N 424.566 4.531 0 40 HJAB COc1ccc(OC)c(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c1 6187238 JFWLXFWQXZGHHK-UHFFFAOYSA-N 421.280 4.885 0 40 HJAB O=C(CCSc1ccc(Cl)cc1)Nc1cc(Cl)ccc1N1CCOCC1 6831995 PCLQUHJAGBBDCU-UHFFFAOYSA-N 411.354 4.951 0 40 HJAB CCOc1cc(C(=S)N2CCCC2)cc(Cl)c1OCC(=O)Nc1ccccc1 6959450 RADIZWMVQIAEII-UHFFFAOYSA-N 418.946 4.528 0 40 HJAB COc1ccc(CN(C(=O)/C=C/c2cc(Br)ccc2F)C2CC2)cc1 8164636 KISJYKMJNVIOTE-NYYWCZLTSA-N 404.279 4.801 0 40 HJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(I)cc2C)c1 8481245 JKOWKOKHYIVDSA-CQSZACIVSA-N 409.267 4.622 0 40 HJAB CC(C)(C)c1ccc(OCCCC(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)cc1 9112705 DWHZLQRSPKIOMA-JOCHJYFZSA-N 405.542 4.966 0 40 HJAB CCN1C(=O)c2cc(NC(=O)c3cccc(OC)c3OC)ccc2Oc2ccccc21 9134568 COXQIGBJTNPWBK-UHFFFAOYSA-N 418.449 4.729 0 40 HJAB COc1ccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1Cc1ccccc1 10174424 SUJLQLIWCAYEGL-XMMPIXPASA-N 404.485 4.857 0 40 HJAB COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N3CCCC3)n2)cc1Cl 10213748 USMYZEBLIZQWOJ-UHFFFAOYSA-N 410.909 4.929 0 40 HJAB CS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 10252718 REXLWGGNSDOYHG-UHFFFAOYSA-N 422.531 4.548 0 40 HJAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(C3CC3)nc3ccccc23)c1C 10943577 FEKHHZCWNLQESP-CYBMUJFWSA-N 409.511 4.602 0 40 HJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 11115312 ZQUMZNVEVDFSMK-VXKWHMMOSA-N 407.539 4.820 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(-c3ccc4nnc(-c5ccccn5)n4n3)cc2)cc1C 11665526 LPMDEEDIQBXIJU-UHFFFAOYSA-N 420.476 4.722 0 40 HJAB CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)Cc2c(Cl)cccc2Cl)cc1 12641957 BOEOZWHWEDQURR-UHFFFAOYSA-N 422.308 4.947 0 40 HJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]32CCOC(C)(C)C2)cc1OC 12660902 LWRLBQILWIOHKS-NTKDMRAZSA-N 408.498 4.533 0 40 HJAB biogenic O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 12740530 OXLIRTAAKAZCLE-UHFFFAOYSA-N 405.416 4.572 0 40 HJAB C[C@@H](Nc1ncnc2scc(-c3ccccc3)c12)c1ccc(S(C)(=O)=O)cc1 12748170 HBLZAKRRDVBQMW-CQSZACIVSA-N 409.536 4.935 0 40 HJAB COc1ccc(Br)cc1CN(C)C(=O)COc1cc(C(C)C)ccc1C 13987839 HLOUMXJSDWWECJ-UHFFFAOYSA-N 420.347 4.927 0 40 HJAB C/C=C/c1ccc(OCC(=O)N[C@@H](C)c2ccc(Br)cc2)c(OC)c1 14116745 AVRMISWTZMGENQ-NNTXTVRGSA-N 404.304 4.747 0 40 HJAB CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1 14426373 KFSOVVPPSHGLGP-UHFFFAOYSA-N 402.560 4.675 0 40 HJAB Cc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2ccc(C(F)(F)F)cc2)cc1 16311546 UOHPZZUBBDVWLR-UHFFFAOYSA-N 422.414 4.991 0 40 HJAB O=C1CCC[C@]2(CN(Cc3ccc(-c4ccc(F)cc4)cc3)C[C@H]2c2ccncc2)N1 19334503 YRDFJIRPZMJBGW-AZGAKELHSA-N 415.512 4.526 0 40 HJAB Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(F)cc1)C3 20671462 TWNHWWRUSMQQEG-QGZVFWFLSA-N 418.497 4.777 0 40 HJAB COc1cccc(CN(C)C(=O)Cc2csc(-c3ccccc3Cl)n2)c1OC 21914357 ZCJZWVAPUFLZDE-UHFFFAOYSA-N 416.930 4.682 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(c2ccc(-c3ccco3)nn2)C1 23143007 MMYWSHAJWBWSEL-AWEZNQCLSA-N 416.403 4.611 0 40 HJAB COc1cc(/C=C/C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc(OC)c1 23200132 WNXZLEPONGRUIW-MDWZMJQESA-N 417.465 5.000 0 40 HJAB Cc1cc(OCC(=O)NCCc2csc(-c3ccccc3)n2)cc(C)c1Cl 27993546 BJFVCJLUTIHETC-UHFFFAOYSA-N 400.931 4.818 0 40 HJAB COc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)C(C)C)cc2s1 33000704 RBFLKNNNKRKPJW-UHFFFAOYSA-N 415.540 4.630 0 40 HJAB COc1cc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(C)cc2)ccc1O 35323530 GNUUWQTWNIOKHE-DEOSSOPVSA-N 411.461 4.849 0 40 HJAB COc1cc(-c2nc3cnccn3c2Nc2ccc(C(C)C)cc2)cc(OC)c1O 35606348 NERULCKTMQIECW-UHFFFAOYSA-N 404.470 4.986 0 40 HJAB Cc1occc1C(=O)Nc1cc(NC(=O)c2ccc(Br)cc2)ccc1F 36394806 BSPQFMZCSNYLNL-UHFFFAOYSA-N 417.234 4.994 0 40 HJAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCc1cccc(C(F)(F)F)c1 44142440 RUXFLUCEOBSZLK-UHFFFAOYSA-N 405.420 4.572 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1cccn1C 57481563 WESZFEPIDFFJTJ-VWNXMTODSA-N 403.526 4.859 0 40 HJAB CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2cc(C)ccc2C)c1 57486296 RZXJMNJGVXSVEN-UHFFFAOYSA-N 421.566 4.994 0 40 HJAB Cc1ccc(-c2cc(NC(=O)c3cc(-c4ccco4)nc4onc(C)c34)[nH]n2)s1 58168718 UYHFFDNJBFHGLX-UHFFFAOYSA-N 405.439 4.804 0 40 HJAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CCN(c2ccc(C)cc2C)CC1 59415249 BWCTVXUSZPGGAC-HINZLTGWSA-N 422.613 4.884 0 40 HJAB biogenic Cc1nn(C)c2ncc(NC(=O)c3cc(-c4ccccc4)nc4cc(F)ccc34)cc12 64787372 RCTBHNJYZBPRSZ-UHFFFAOYSA-N 411.440 4.883 0 40 HJAB COc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 67289711 IAMNBRMZTLHVCI-UHFFFAOYSA-N 418.522 4.753 0 40 HJAB Cc1ccnc(Nc2cc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)nc(C)n2)c1 72355966 OOYIDROIIARELN-NRFANRHFSA-N 415.541 4.571 0 40 HJAB Cc1ccccc1-c1nc(C)c(CNC(=O)c2sc(-n3cccc3)nc2C)s1 96342881 TXGLLVZMIXDQED-UHFFFAOYSA-N 408.552 4.913 0 40 HJAB Cc1nn(CCCNC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)c(C)c1Br 102637862 YFMLCRSAVWJEAT-WDEXLOMXSA-N 422.411 4.765 0 40 HJAB COc1cc(C2=N/C(=C/C(Cl)=C/c3ccccc3)C(=O)O2)ccc1OC(F)F 104803860 HFCZGLQTUSFITD-GNESMGCMSA-N 405.784 4.764 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)c(C)c3)[nH]2)c1 216028247 UDIFFKCBAAGLIR-UHFFFAOYSA-N 417.332 4.582 0 40 HJAB C[C@@H]1CN(Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)C[C@@H](C)O1 216839943 RVQGUQMHWMEQJX-ZIAGYGMSSA-N 401.304 4.867 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 223161795 OIKXISDFYZFHJO-FQEVSTJZSA-N 400.950 4.605 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 223412565 DLVGFKJUBDYUSA-MUNMYPBESA-N 418.581 4.580 0 40 HJAB COc1ccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)cc1Cl 223732472 PBPYSJKEWXJUED-UHFFFAOYSA-N 403.887 4.619 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 223738845 NNUWXZJQCMOFNK-DEOSSOPVSA-N 408.586 4.878 0 40 HJAB Cc1cccc(CN(C(=O)Cc2c(F)cccc2Cl)[C@H](C)C(=O)NCC(C)C)c1 224174484 IFBRXCXTEHTVFM-QGZVFWFLSA-N 418.940 4.520 0 40 HJAB Oc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224177195 UBZOBCWDZBFFMD-GOTSBHOMSA-N 412.518 4.755 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 224266950 ZXWDWXKWGPSELG-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB O=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1cc(Cl)ccc1Cl 224287142 XTMZKHKVOSVQDQ-UHFFFAOYSA-N 414.245 4.516 0 40 HJAB COC(=O)c1cc(NC(=S)NCCSCc2cccc(C)c2)ccc1Cl 225338162 SARZZBCERPAGEY-UHFFFAOYSA-N 408.976 4.655 0 40 HJAB COc1cccnc1NC(=S)NCCSCc1ccc(Cl)c(Cl)c1 225347336 ITZSIACFGOGACR-UHFFFAOYSA-N 402.372 4.617 0 40 HJAB CN(C(=O)C(F)(F)F)c1ccc2oc(Cc3ccc(Br)cc3)nc2c1 226271333 WPEJZWQEDQPQNW-UHFFFAOYSA-N 413.193 4.706 0 40 HJAB O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@H](Oc2ccc3ccccc3n2)C1 244986068 JDZRNTDZUOHBAP-NRFANRHFSA-N 422.484 4.759 0 40 HJAB O=C(N1CC[C@H](Cc2cccc3ncccc23)C1)C1(Cc2ccccc2)CCOCC1 257302942 SFBNCOHSXVKYIM-JOCHJYFZSA-N 414.549 4.665 0 40 HJAB CC1(C)[C@H](NC(=O)COc2ccccc2)[C@@]23CCO[C@H](c4ccccc4)[C@H]2C[C@@H]1C3 257319630 VTJLYRZRTKTRDY-VSCLMIGZSA-N 405.538 4.764 0 40 HJAB COc1ccc2ccc(OC)c([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)c2c1 260786540 XZQKKJAVHIIOCD-YKAGIRRDSA-N 405.523 4.841 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1C)c1ccccc1 408561006 UJIKNQSLJZYDMT-QGZVFWFLSA-N 416.550 4.529 0 40 HJAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 408608907 XNCISHRMALCLEV-INIZCTEOSA-N 411.310 4.609 0 40 HJAB Cc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(C)c1 408736527 CEWSOLZLFLTIHD-RXVVDRJESA-N 412.530 4.741 0 40 HJAB COc1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)cc1 409007742 RCDLEIBZXZMORG-UHFFFAOYSA-N 421.478 4.541 0 40 HJAB COc1ccc2ccc(OC)c(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2c1 409072677 KKNQHNLYYNTZFT-XDHOZWIPSA-N 408.841 4.608 0 40 HJAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 409335008 XGAZGEADRWLHGY-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB COc1cccc(CN(C)C(=O)c2ccc(O)c(C)c2)c1OCc1ccccc1F 1617495298 UJXMFNKGKBNWCR-UHFFFAOYSA-N 409.457 4.700 0 40 HJAB O=C(N1CCC2(CC1)C[C@@H](Oc1ccccc1)CO2)C1(c2cccc(F)c2)CCCC1 1848355687 GRRGZSPROHNWBN-HSZRJFAPSA-N 423.528 4.867 0 40 HJAB COc1ccc(NC(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n23)cc1 902958 DDIQWKDFEBLSCI-UHFFFAOYSA-N 406.511 4.547 0 40 HJAB COc1ccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 1004436 IOIVGUCTOIUAPG-UHFFFAOYSA-N 409.829 4.569 0 40 HJAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 2093528 WNCWQNVNJDIVTQ-YJYMSZOUSA-N 417.502 4.563 0 40 HJAB biogenic CCOc1ccc(C(NC(=O)c2ccc(C)cc2)NC(=O)c2ccc(C)cc2)cc1 2172461 DIROVECYUOOJJK-UHFFFAOYSA-N 402.494 4.561 0 40 HJAB CCCCn1c(N)c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc21 2256364 ZCENQXGVSVLKMM-UHFFFAOYSA-N 407.905 4.550 0 40 HJAB COCCCNc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)C[C@@H](C)CC3 2384351 ZRWDPCOAGVIRKJ-ZDUSSCGKSA-N 417.962 4.674 0 40 HJAB CCc1c(C)sc2ncn3nc([C@H](C)Cn4nc(C(F)(F)F)cc4C)nc3c12 2790065 HTGTWDOKXXNVDK-SECBINFHSA-N 408.453 4.537 0 40 HJAB CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 4690527 AWIBUESAHLRWHL-UHFFFAOYSA-N 424.570 4.553 0 40 HJAB C[C@H](O)c1cccc(C(C)(C)O)c1Sc1c(C(C)(C)O)cccc1C(C)(C)O 6437424 IYUOUMGOEFDKAM-AWEZNQCLSA-N 404.572 4.573 0 40 HJAB CCOC(=O)c1sc(N(Cc2ccc(F)cc2)C(=O)/C=C/c2ccco2)nc1C 7271008 HZTOMBFMYWFGOL-ZHACJKMWSA-N 414.458 4.607 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1 8328044 RAFNROBEPVDQRY-FQEVSTJZSA-N 412.486 4.976 0 40 HJAB COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(Br)c3)n2)c1 9443614 WKUVVSDBDVBZSB-UHFFFAOYSA-N 419.300 4.842 0 40 HJAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(C)cc1 9859132 HDWCYNYISGNRES-IBGZPJMESA-N 414.552 4.738 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 10009732 IFEVKPNIWJQOSI-UHFFFAOYSA-N 400.525 4.672 0 40 HJAB COc1ccc(SCC(=O)Nc2nc(-c3ccc(OC)c(C)c3)cs2)cc1 10219181 LANUQGPIRIULIB-UHFFFAOYSA-N 400.525 4.867 0 40 HJAB C[C@@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 10639880 DLYAPCNVDZEEEG-QWHCGFSZSA-N 407.848 4.772 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 11083870 KHWHVSTZOSQNRC-UHFFFAOYSA-N 420.513 4.551 0 40 HJAB COCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccn4c3NC(C)(C)C)C2)cc1 12088132 WVOXLZPDUSHBIT-HXUWFJFHSA-N 420.557 4.711 0 40 HJAB Cc1ccc2oc(CN(Cc3ccco3)C[C@@H](O)Cn3nc(C)cc3C)c(C)c2c1 12186024 GMWNYRLGFSATEZ-HXUWFJFHSA-N 407.514 4.519 0 40 HJAB CSc1ccc(CN(C)C(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 12797983 UXTBGRAUUHYXCG-UHFFFAOYSA-N 412.584 4.687 0 40 HJAB Cc1ccc(NC(=O)c2cc(C)n([C@@H]3CN4CCC3CC4)c2C)cc1C(F)(F)F 12908905 BJGMNRRTSUTDJF-HXUWFJFHSA-N 405.464 4.951 0 40 HJAB Cc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccnc2)N2N=CNC2=N3)cc1 13213785 GXQGUAHMKPPOKP-BJKOFHAPSA-N 407.477 4.503 0 40 HJAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(C)cc2)cc1 13583652 UKOPSROROGPKNS-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB CC[C@@H](C)c1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1 15517264 WDDACCBTCPUAMR-QRWLVFNGSA-N 417.962 4.655 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc1 17091072 VDIXIQYTKRBHLN-UHFFFAOYSA-N 417.490 4.944 0 40 HJAB CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 17093984 WVHNMMJJZAYDSH-UHFFFAOYSA-N 424.522 4.601 0 40 HJAB Cc1cccc2c(-c3ccncc3)c([C@H]3CCCN(C(=O)[C@@H](C)N4CCCC4)C3)[nH]c12 19236513 YFAWISKYCNSWKX-CTNGQTDRSA-N 416.569 4.729 0 40 HJAB Cc1cccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3Cc2c(C)nn(C(C)C)c2C)c1 19713520 BMLVSLMGGZTAGJ-RPBOFIJWSA-N 422.617 4.935 0 40 HJAB Cc1ccccc1-c1n[nH]c(SCc2ccc(I)cc2)n1 20195612 HSLRJXVPBMCEHF-UHFFFAOYSA-N 407.280 4.677 0 40 HJAB CC(C)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(Cl)cc2)c2ccccc21 20738433 ZROHDZKTTQLGLQ-QHCPKHFHSA-N 420.900 4.806 0 40 HJAB Cc1cccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5)nc4nc3C2)c1 20795935 ASVAVWAUFRMTIG-SFHVURJKSA-N 400.507 4.638 0 40 HJAB O=C(Nc1nnc(SCc2ccccc2F)s1)c1cc(-c2cccs2)on1 21524210 HAIBORFJHWMQFT-UHFFFAOYSA-N 418.500 4.938 0 40 HJAB CCOc1ccc(CCC2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 22131066 YEUSYKXXQSYVOO-UHFFFAOYSA-N 420.553 4.697 0 40 HJAB CCOC(=O)c1c(NC(=O)Cc2nc(-c3cccs3)oc2C)sc(C)c1C 22475278 ROLVGLDPCRZRON-UHFFFAOYSA-N 404.513 4.748 0 40 HJAB CC1(C)COc2ccc(NC(=O)NC(c3ccccc3)c3ccccc3)cc2NC1=O 22509224 QTWRNYSKTYIKRX-UHFFFAOYSA-N 415.493 4.955 0 40 HJAB O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCC[C@@H]1Cc1ccccc1 25173834 SAUUZQJNCJNSLZ-HXUWFJFHSA-N 417.475 4.551 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccccc1COc1ccccc1 30511411 RCIAYZBRYZTCNB-UHFFFAOYSA-N 411.505 4.998 0 40 HJAB COc1ccc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)c(OC)c1OC 31398511 FQFRFLMFLPDKPO-UHFFFAOYSA-N 411.429 4.683 0 40 HJAB Cc1[nH]c(SCC(=O)N(C)Cc2ccc(Cl)s2)nc1Cc1ccccc1 32671769 ROFLOXPGWYIOJQ-UHFFFAOYSA-N 405.976 4.775 0 40 HJAB COC(=O)CSC1=N/C(=C/c2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)cc1 33703759 ORBZEJAMNMTQFZ-DEDYPNTBSA-N 408.523 4.768 0 40 HJAB COc1c(Br)cc(Br)cc1CNc1cccc(C(=O)O)c1 35018461 NSAGCZHFHVYYJB-UHFFFAOYSA-N 415.081 4.531 0 40 HJAB CC1(C)CC(N(Cc2ccccn2)Cc2cccn2-c2cccnc2)CC(C)(C)N1 36740504 DZKAYINVHYAILC-UHFFFAOYSA-N 403.574 4.579 0 40 HJAB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccc(CN4CCCCC4)cc3)cc2)C1 38831708 WJUVVGJLJVJPBO-QFIPXVFZSA-N 419.613 4.834 0 40 HJAB O=C(Nc1sc2c(c1C(=O)NCC1(c3ccccc3)CC1)CCC2)c1ccco1 40157354 JICMNWUZZCOGNT-UHFFFAOYSA-N 406.507 4.544 0 40 HJAB Cc1ccc([C@@H](NCC(=O)Nc2ccc(N3CCCC3=O)cc2)c2cccs2)cc1 57435572 XICAEPLVEOYKCK-XMMPIXPASA-N 419.550 4.501 0 40 HJAB c1ccc(OCCN2CCN(c3ncnc4sc(-c5ccccc5)cc34)CC2)cc1 58164521 ADTREOIXOMOXIN-UHFFFAOYSA-N 416.550 4.559 0 40 HJAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-n2cccn2)nc1 58391374 ZSOTXWZCYSAHFF-UHFFFAOYSA-N 400.282 4.557 0 40 HJAB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(Cl)cc3Cl)nn12 59294358 CEHYEJHXOTZUKX-UHFFFAOYSA-N 404.282 4.720 0 40 HJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cc(F)ccc3F)oc12 67295891 NTVUWHHIHKYDHO-CLCOLTQESA-N 413.405 4.661 0 40 HJAB O=C(c1ccc(Sc2ccccn2)cc1)N1CCCN(Cc2ccc(F)cc2)CC1 70006053 QJNLBEBYCUGSBA-UHFFFAOYSA-N 421.541 4.720 0 40 HJAB Cc1ccc(C[C@H](C(=O)O)[C@@H](C)C(=O)Nc2ccc(C)c(Br)c2)cc1 71405932 QGIOWNHMLJCGGK-PBHICJAKSA-N 404.304 4.584 0 40 HJAB Cn1nccc1C(=O)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72350043 BGDIHRNGKVBDSM-INIZCTEOSA-N 414.431 4.521 0 40 HJAB COc1cc(C)c(CN2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)c(C)c1C 72375803 KOENEJMFAVVVIA-OAQYLSRUSA-N 403.530 4.886 0 40 HJAB CCCOC(=O)c1ccc2[nH]c(-c3cc(Br)c(OC)c(OC)c3)nc2c1 85398420 NGMPNBMATYRUDA-UHFFFAOYSA-N 419.275 4.576 0 40 HJAB CC(C)(C)CN(C[C@@H](O)c1ccccc1)C(=O)CCCc1nnc(-c2ccccc2)o1 95451257 HKZHGLWYPRPWRR-OAQYLSRUSA-N 421.541 4.668 0 40 HJAB O=C1Oc2ccccc2[C@H]2c3sc(=O)[nH]c3S[C@@H](c3ccc(Cl)cc3)[C@H]12 96306214 IPSHIDQQUQICMR-KFWWJZLASA-N 401.896 4.604 0 40 HJAB O=C1[C@@H](c2cc(Cl)ccc2Cl)C(=S)N2Cc3[nH]c4ccccc4c3C[C@H]12 101646692 QUVBREBSNOMYTL-QZTJIDSGSA-N 401.318 4.895 0 40 HJAB COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3nc(C)nn32)cc1OC 102703386 NPVVZUYMCFCMLG-UZUQRXQVSA-N 416.481 4.669 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 222497536 BOLBPSTXOYYDEB-YKSBVNFPSA-N 424.585 4.577 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 222996566 YWDSAMNJJREQQT-HXUWFJFHSA-N 412.599 4.729 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 223686721 WAPWANLQAOSIAM-XMMPIXPASA-N 424.585 4.714 0 40 HJAB Cc1ccc(CN(C(=O)CSc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223807744 BXCLCMHBCNRDGI-HXUWFJFHSA-N 424.610 4.872 0 40 HJAB CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223925530 VBEHBTNMFKOATL-UHFFFAOYSA-N 412.536 4.852 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC2CCCCC2)ccc1Cl 223957957 HEFFIIYJKFTNDT-UHFFFAOYSA-N 420.962 4.759 0 40 HJAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)sc2c1CCCC2 224045183 ABNPSEXHDJRBIA-AWEZNQCLSA-N 413.539 4.698 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 225133773 ZCNFVLSJAJXBBE-JOCHJYFZSA-N 412.599 4.729 0 40 HJAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)c1C 408640800 JWHLYLXMLDQVTK-INIZCTEOSA-N 415.331 4.674 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC[C@@H](C)C[C@H]2C1=O 408671853 LRNDWIYNZVSONC-FRFSOERESA-N 410.901 4.826 0 40 HJAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1cc(Br)ccc1O 408838468 FOWBDOWMLLGEGH-AWNIVKPZSA-N 413.054 4.806 0 40 HJAB COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1 409381714 MYIFESBVGNPTFN-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CSCc1c(C(=O)N2CCN[C@H](c3ccccc3Cl)C2)oc2ccccc12 619777505 DGGRNJWBGAFGAA-SFHVURJKSA-N 400.931 4.736 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(CNc2c(C)cccc2C)n1C 888398 JVQAVWLSELVFTB-UHFFFAOYSA-N 423.586 4.646 0 40 HJAB CCc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(C)c(C)c1 1346422 WABXZOAARHDLCG-UHFFFAOYSA-N 417.538 4.726 0 40 HJAB CCCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(F)cc1 2397932 SEFINMAPVGSJIH-UHFFFAOYSA-N 402.495 4.562 0 40 HJAB O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)NCc1ccco1 3227923 JHYFDGZSGYCUKW-UHFFFAOYSA-N 420.852 4.621 0 40 HJAB O=C1/C(=C/c2ccc(Cl)cc2Cl)NC(=S)N1c1ccc(OC(F)F)cc1 3259721 VGKTVUSFOUCTOW-AUWJEWJLSA-N 415.248 4.857 0 40 HJAB CN(C)[C@H](Cc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)C(=O)c1ccccc1 3282636 DVTRUXYSKRGOTE-RCZVLFRGSA-N 405.469 4.789 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)N3c4ccccc4C[C@H]3C)s2)c(C)c1 3297396 NGGDLAGIJIBDDP-OAHLLOKOSA-N 410.568 4.968 0 40 HJAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3553602 XHGIGZPJTMQVNI-KRWDZBQOSA-N 400.544 4.627 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@@]1(C)CCCC[C@H]1[C@H](O)[C@@H]3O 4292991 RPBAJJRDQPLSHK-PWVGKCMYSA-N 406.607 4.566 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 4389751 GUYARDYVEODDND-IRXDYDNUSA-N 423.538 4.547 0 40 HJAB COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cc(C)ccc2C)c1 4518159 QDPCNHABELAJMQ-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCCC2)n1-n1cccc1 4518668 OAMDHMOVRBMHOD-UHFFFAOYSA-N 409.559 4.786 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)Nc3ccccn3)ccc21 4674080 YOWVHRJAQWEGGW-UHFFFAOYSA-N 400.482 4.957 0 40 HJAB COc1cccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1OC 4679916 GLQYFHLNWBPVLQ-UHFFFAOYSA-N 417.549 4.852 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(Cc3cccc4ccccc34)n2C)c1C 4700628 DLTZVXXFPSHMDC-UHFFFAOYSA-N 416.550 4.907 0 40 HJAB Cc1cccc(Cn2c(=O)n(-c3ccc(C)c(C)c3)c(=O)c3c4c(sc32)CCC4)c1 4877793 RTRXDIVZQFXFBH-UHFFFAOYSA-N 416.546 4.676 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(NCc2ccccc2)s1 4997399 INQALKUPOBPPLQ-UHFFFAOYSA-N 404.948 4.843 0 40 HJAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccc(Cl)cc4)ncnc32)cc1 5296067 VMVMWFZSOXCQRZ-UHFFFAOYSA-N 409.902 4.508 0 40 HJAB CC(=O)Nc1ccccc1OCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1 5460151 MKTQEXZCDWNFIE-NRFANRHFSA-N 418.518 4.904 0 40 HJAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)O[C@@H](CC)c2ccco2)cc1 5554948 SOCFYCDQTAQVAV-SFHVURJKSA-N 408.520 4.790 0 40 HJAB O=S(=O)(c1ccc(SC(c2ccccc2)c2ccccc2)nc1)N1CCCC1 5689481 ILQVBYKYULJPRG-UHFFFAOYSA-N 410.564 4.748 0 40 HJAB COc1ccccc1-c1nc(S)c2c(n1)Oc1ccc(Br)cc1C2 6009592 WKEXDPDSSZQUMA-UHFFFAOYSA-N 401.285 4.900 0 40 HJAB O=c1c2ccccc2nc(-c2ccccc2)n1NC(=S)Nc1ccc(Cl)cc1 6575938 LXBVXPNYDRMULD-UHFFFAOYSA-N 406.898 4.657 0 40 HJAB Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 6658433 YJLPANNJOBKUPQ-NRFANRHFSA-N 416.864 4.895 0 40 HJAB O=C(Nc1cc2c(cc1[C@@H](O)c1ccccc1)OCCO2)C12CC3CC(CC(C3)C1)C2 6668098 GBDRMTHKFLQUBB-TWSMWQQMSA-N 419.521 4.694 0 40 HJAB Cc1nnc2c(N[C@@H](C)c3ccccc3)nc3ccc(C(=O)c4ccccc4)cc3n12 6792519 LWANCFNSUMVISE-INIZCTEOSA-N 407.477 4.990 0 40 HJAB C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccccc1-c1ccccc1 6945057 ITBGYINGXWZRHT-GFCCVEGCSA-N 406.433 4.620 0 40 HJAB CC(=O)c1cccc(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c1 7160496 CKEYOQIHACMHJU-UHFFFAOYSA-N 405.401 4.582 0 40 HJAB Cc1ccc(C)c(OCC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)c1 7596696 LUCKAXIPMAWCGT-UHFFFAOYSA-N 413.905 4.823 0 40 HJAB CC(/C=C1\N=C(c2cccc(I)c2)OC1=O)=C\c1ccccc1 8955625 XHFWPMAKSDKPJR-NEOBQEPSSA-N 415.230 4.582 0 40 HJAB C[C@H](Oc1ccc2ccccc2c1Br)C(=O)Nc1ccc2c(c1)OCO2 9216649 CVNOHQFRYYLHML-LBPRGKRZSA-N 414.255 4.737 0 40 HJAB CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)on1 9670602 HPJHOBGWRCJLBA-UHFFFAOYSA-N 423.498 4.544 0 40 HJAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccco4)c3[C@H]2c2cccs2)cc1 9679547 POHKKJOJPVCJCW-HXUWFJFHSA-N 419.462 4.658 0 40 HJAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCC1(c2ccccc2)CCC1 10117112 MLXOSDLAMNFNMF-UHFFFAOYSA-N 419.525 4.983 0 40 HJAB Cc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1 10233076 UERAEPBXDPHXCD-NRFANRHFSA-N 424.928 4.560 0 40 HJAB CC(C)c1cc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)on1 11461433 HQRZRWPHYKMETJ-UHFFFAOYSA-N 421.478 4.616 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)COc2cc(Cl)ccc2Cl)c(OC)c1 11584558 WJUVRZLZZSEIJW-QGZVFWFLSA-N 410.297 4.753 0 40 HJAB O=C(Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1)c1ccc(F)cc1 11665516 YFFHKLXNXYIPTN-UHFFFAOYSA-N 415.453 4.911 0 40 HJAB COc1ccccc1CN(C)C(=O)c1sc(COc2ccc(Cl)cc2)nc1C 12764529 UORDCLWJBKQZBH-UHFFFAOYSA-N 416.930 4.965 0 40 HJAB Cc1ccc(Nc2nc(-c3cc(C)n([C@H]4CCS(=O)(=O)C4)c3C)cs2)cc1F 12873641 YHHMNRZPRVMVAR-INIZCTEOSA-N 419.547 4.779 0 40 HJAB CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1ccc(C)cc1)S(C)(=O)=O 13713692 LNIFIKJHOFOXTO-FQEVSTJZSA-N 402.560 4.610 0 40 HJAB O=C1Nc2ccccc2/C1=C1\SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 15009072 KOWHLTUQBQZLLT-CCEZHUSRSA-N 405.262 4.552 0 40 HJAB COc1cc(CN(Cc2cn3cc(Cl)ccc3n2)C2CC2)ccc1OC(F)F 16424238 YVEOXXRGXFFLBI-UHFFFAOYSA-N 407.848 4.762 0 40 HJAB CC(C)COc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)c1 17089482 XZIQBVAKSXPEEH-UHFFFAOYSA-N 413.326 4.861 0 40 HJAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccc4[nH]c(C(C)C)nc4c3)CC1)O2 19218285 VDMJZXOCADTZSI-UHFFFAOYSA-N 417.509 4.635 0 40 HJAB Cc1nc[nH]c1CN1CCCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 19577034 MZKTWCWCBPKUQA-JCGIZDLHSA-N 410.488 4.585 0 40 HJAB CCOc1ccccc1-c1nnc(NC(=O)c2cc3cccc(OC)c3nc2C)s1 19664772 JGIIJNQKUMCVCS-UHFFFAOYSA-N 420.494 4.721 0 40 HJAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)c2ccccc2)cc1 19694423 GCDHPOIGCWNBFH-QFIPXVFZSA-N 416.525 4.586 0 40 HJAB Cc1cccc(CNc2n[nH]c3nc([C@@H]4CCCN(Cc5ccccc5)C4)ccc23)n1 19742660 WATCIACYONBFPE-HXUWFJFHSA-N 412.541 4.653 0 40 HJAB O=C(Cn1ccc2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19823618 YLWFIZLIYRHENV-UHFFFAOYSA-N 409.533 4.575 0 40 HJAB CC(C)COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 23053679 QVWNQMMNXCQEGI-UHFFFAOYSA-N 404.392 4.573 0 40 HJAB O=C(c1ccccc1C(F)(F)F)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 23140288 AFXCQCDKYXYHFI-GFCCVEGCSA-N 407.417 4.837 0 40 HJAB COc1ccc(-c2nc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)co2)cc1 24829463 VXDPGVPMTVEQBU-UHFFFAOYSA-N 420.490 4.746 0 40 HJAB Cc1ccc2c(c1)[C@]1(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2 28464571 HGURFNINUQLLNN-QPPBQGQZSA-N 415.880 4.997 0 40 HJAB CC(C)n1nccc1NC(=O)COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 32670184 YAWZNQCURFEBPB-UHFFFAOYSA-N 421.375 4.538 0 40 HJAB COc1cc(OC)c(C2=CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(OC)c1 32860128 LTYWQZDHKMCKID-UHFFFAOYSA-N 402.878 4.687 0 40 HJAB COc1ccc(C)cc1NC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 35314847 QDYZOEWHDNCPEJ-UHFFFAOYSA-N 404.495 4.673 0 40 HJAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(Cl)cc12 36390087 XJDWDPHHRQPYNA-PMUMKWKESA-N 405.922 4.719 0 40 HJAB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 39762858 QXGPTUXKLGPMMH-UHFFFAOYSA-N 418.840 4.895 0 40 HJAB Cc1nc(-c2ccccc2)ccc1C(=O)O[C@H](C)C(=O)Nc1cccc2ncccc12 40049404 XZUQXKHGGSSALB-QGZVFWFLSA-N 411.461 4.789 0 40 HJAB O=C(O)c1ccc2c(O)nc(/C(Cl)=C/c3csc(Br)c3)nc2c1 40068671 YQYZMPKUSXNHPB-KMKOMSMNSA-N 411.664 4.595 0 40 HJAB COc1ccccc1OCc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)o1 40131201 VDTWSOZDOIXPPP-UHFFFAOYSA-N 407.451 4.638 0 40 HJAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(NC(=O)C2CC2)c1 44758202 RIGIOLBHCXKTSY-UHFFFAOYSA-N 413.477 4.848 0 40 HJAB O=C(NCc1ccccc1)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078767 MNOGMVCZUDTIDS-UHFFFAOYSA-N 404.897 4.863 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)c1nn2c(CN3CCCCCC3)nnc2s1 49546745 SGMXKDUUJGJJSH-UHFFFAOYSA-N 405.955 4.529 0 40 HJAB COc1ccc2nc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)sc2c1 58406792 ALVKGHZYZZCTGT-UHFFFAOYSA-N 418.400 4.762 0 40 HJAB CSc1nc2ccc(NC(=O)N(Cc3cccnc3)C[C@H]3CCCO3)cc2s1 65588495 JWFJMDCSRUEZFB-MRXNPFEDSA-N 414.556 4.626 0 40 HJAB CC[C@H](C)n1c(SCC(=O)Nc2c(C)cccc2Cl)nc2cc(C)[nH]c2c1=O 67239161 GOKISJFEUTYBHX-ZDUSSCGKSA-N 418.950 4.697 0 40 HJAB O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 72330462 DEONCXUXOAKGMU-GJZUVCINSA-N 417.528 4.533 0 40 HJAB Cc1cc(-c2cc(=O)n(Cc3ccc(F)cc3Cl)nc2-c2cccs2)on1 72337063 LBGJKPMYRLBSTO-UHFFFAOYSA-N 401.850 4.776 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 222782753 QLWHAFDKDWPPFG-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccncc1)c1ccccc1 223410810 BESCTASZUMBLPG-HSZRJFAPSA-N 421.928 4.531 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 223808997 QHJBBLHJHZFWFS-NRFANRHFSA-N 418.940 4.745 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(CC)cc1 224344988 MLZXLVISLAPKTQ-JOCHJYFZSA-N 414.977 4.779 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 224706029 ZYJSWDFPDVTJFD-JOCHJYFZSA-N 414.977 4.852 0 40 HJAB O=C(CSCc1ccc(Br)cc1)Nc1ccc(N2CCCC2)cc1 224899150 IKVMLUQCERYCTO-UHFFFAOYSA-N 405.361 4.921 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cn3nc(C)cc3C)cc1)CC(C)(C)O2 225292657 YKSJXOMSFGZBOZ-QFIPXVFZSA-N 419.525 4.589 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)c1 225672670 RJEIXVAQPNPUSI-IBGZPJMESA-N 414.977 4.689 0 40 HJAB CCc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1 225821426 NFVGXIAFHRXLOI-GOSISDBHSA-N 422.550 4.849 0 40 HJAB COCCC(=O)N[C@@]1(C)C[C@H](c2ccc(Br)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257240541 HTZUYPCOUXFBAS-LUXPHIFBSA-N 424.379 4.627 0 40 HJAB O=C(CNc1ccccc1Cl)N1CCC(c2ccnc(Nc3ccccn3)c2)CC1 257253296 JYIDLCJYEYBUJZ-UHFFFAOYSA-N 421.932 4.692 0 40 HJAB O=C(c1ccc2ccccc2n1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257328945 XHSKPQYUEYDISH-QFIPXVFZSA-N 401.441 4.930 0 40 HJAB O=C(CNC(=O)c1ccc(COc2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1 408562493 QDOJZHWXERTZPN-UHFFFAOYSA-N 419.264 4.534 0 40 HJAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(Br)c(Cl)c1 408597144 XHGIBXGETQDMCG-UHFFFAOYSA-N 418.143 4.812 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1F 408695843 TWMAEDNACONVDX-UHFFFAOYSA-N 403.500 4.927 0 40 HJAB CCc1cccc(C)c1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408702317 BDITWYAANGIVCC-UHFFFAOYSA-N 408.523 4.638 0 40 HJAB Cc1c(F)cccc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 409001553 JAXRZVHHNUIWCG-QHCPKHFHSA-N 418.468 4.836 0 40 HJAB CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1C(C)C 409164390 HWHJKDLMKOOOOM-UHFFFAOYSA-N 424.570 4.752 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(F)c3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409364669 XVWXMPPTVYAGEZ-MUKKUYKPSA-N 400.416 4.741 0 40 HJAB Brc1ccccc1-c1cnc(CSc2n[nH]c(-c3ccccn3)n2)o1 607760935 KVQCRFYVTGOODS-UHFFFAOYSA-N 414.288 4.577 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc(I)cc2C)ccc1Cl 851411 AVXSADKWGVSWAZ-UHFFFAOYSA-N 415.658 4.579 0 40 HJAB Cc1ccc2cc(C)c3nnc(SCC(=O)c4ccc5c(c4)OCCO5)n3c2c1C 877174 KYVVRJQUPMZBKX-UHFFFAOYSA-N 419.506 4.554 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1281206 RYUJXXGZZDODFB-UHFFFAOYSA-N 409.898 4.726 0 40 HJAB CS(=O)(=O)c1cnc(-c2ccccc2)nc1N(Cc1ccccc1)c1ccccc1 1402545 OQXGROJUZUUUBC-UHFFFAOYSA-N 415.518 4.885 0 40 HJAB CCc1c(C)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2oc1=O 2315498 IEBPFYBQDXPNBM-UHFFFAOYSA-N 406.265 4.988 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)c1 2361023 NVJMXKBQCMNZIY-UHFFFAOYSA-N 408.483 4.527 0 40 HJAB O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 3226699 LKFIISIYXOWJND-UHFFFAOYSA-N 413.779 4.504 0 40 HJAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2OC(F)F)s1 3312920 QIHDPIWRTRSDCD-UHFFFAOYSA-N 422.482 4.922 0 40 HJAB COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3CCC(C)C)CC2=O)c1 4033559 IZSQFKFGNVPKEU-QGZVFWFLSA-N 407.514 4.620 0 40 HJAB COc1ccccc1[C@]1(CCNCc2ccc3c(c2)OCO3)CCO[C@H](C(C)C)C1 4046904 NMPJHGCISZRRPQ-LOSJGSFVSA-N 411.542 4.677 0 40 HJAB biogenic O=C(Nc1ccccc1-c1ccccc1)c1cccc(N2CCCCS2(=O)=O)c1 5099847 ZUPFAJZXBZPWMO-UHFFFAOYSA-N 406.507 4.536 0 40 HJAB CSc1nc(SCC(=O)NCc2ccccc2)c2c3c(sc2n1)CCCC3 5267875 OTVKVWIRQGUDEG-UHFFFAOYSA-N 415.609 4.701 0 40 HJAB Cc1ccc(NC(=O)c2cccn(Cc3c(F)cccc3Cl)c2=O)cc1Cl 5269554 SVHRJXXIPBMLAS-UHFFFAOYSA-N 405.256 4.903 0 40 HJAB Cc1c(CC(=O)NCC(C)C)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 5350413 VUULUAIYJHIPAN-UHFFFAOYSA-N 407.441 4.968 0 40 HJAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Br)cc2)N3)C1 6616561 LURPUJUSSIGFBV-INIZCTEOSA-N 406.349 4.706 0 40 HJAB COc1cc([C@@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1cccc(C)c1 6678783 JPLRPUXIOQWNEG-BTYIYWSLSA-N 423.538 4.777 0 40 HJAB CCOc1ccc(-c2nonc2NC(=O)c2oc3ccccc3c2C)cc1OCC 6811520 OUTQZCXBTQIQCF-UHFFFAOYSA-N 407.426 4.841 0 40 HJAB CCN(CC)C(=O)Cn1cc(SCC(=O)Nc2cccc(C)c2C)c2ccccc21 6867042 OZABISNJASPLLX-UHFFFAOYSA-N 423.582 4.857 0 40 HJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 6940263 OVRXRWUQTRJRMY-INIZCTEOSA-N 402.922 4.708 0 40 HJAB COc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 7158641 SDYUBSMTFRFRST-XMMPIXPASA-N 418.493 4.892 0 40 HJAB Cc1cccc(N2C(=O)C3=C(C2=O)[C@H](c2cccc(O)c2)Nc2ccccc2S3)c1 7496292 NYZPAZAYJMZGTR-NRFANRHFSA-N 414.486 4.787 0 40 HJAB CN(C)c1ccc(NC(=O)c2c(O)nnc(-c3ccccc3)c2-c2ccccc2)cc1 8844044 JSZSYWWRZOSIES-UHFFFAOYSA-N 410.477 4.835 0 40 HJAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C)cc1C 9002256 FQGJRTJXZRKUHN-UHFFFAOYSA-N 415.536 4.928 0 40 HJAB CCN(Cc1ccccc1)C(=O)NCCCCCc1nc(-c2ccc(OC)cc2)no1 9460308 UNTUOVHYODOZMV-UHFFFAOYSA-N 422.529 4.690 0 40 HJAB CCOc1ccc(Nc2nc(Nc3ccc(CC)cc3)nc(N3CCCC3)n2)cc1 10213652 DLDMCNKSLGBYBI-UHFFFAOYSA-N 404.518 4.920 0 40 HJAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCCC3)c2c1 12437854 DBIMXIREDGZILL-UHFFFAOYSA-N 410.539 4.765 0 40 HJAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)c1 12557251 RLOBQMNTCZWWJD-UHFFFAOYSA-N 422.531 4.891 0 40 HJAB C/C=C/c1ccc(OCC(=O)Nc2ccnn2Cc2cccc(Cl)c2)c(OC)c1 12746664 ZYTPKZLQHYGYTJ-HWKANZROSA-N 411.889 4.644 0 40 HJAB Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1 13212973 RFOPSMHGICGNHZ-VXKWHMMOSA-N 413.868 4.539 0 40 HJAB CC1=C(CC/C(C)=C/CCC2=CC[C@H](C3=CC(=O)O[C@@H]3O)O[C@H]2O)C(C)(C)CCC1 13555766 FGJIDQWRRLDGDB-LLFZNPFHSA-N 416.558 4.855 0 40 HJAB CCn1c(SCc2ccc(I)cc2)nnc1-c1ccccc1 13945533 HNTIVSWOYUHMRF-UHFFFAOYSA-N 421.307 4.862 0 40 HJAB O=c1/c(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)sc2nc3ccccc3n12 15229340 AMXCUCYYHNVJHK-WOJGMQOQSA-N 412.392 4.736 0 40 HJAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3cc(-c4ccccc4)on3)C2=O)cc1 15551672 UAUMLOUPVHPFMX-DEOSSOPVSA-N 403.482 4.606 0 40 HJAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)o2)cc1C 20196912 FBARVUOJBGUEJF-UHFFFAOYSA-N 401.919 4.970 0 40 HJAB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCc1ccccc1OC)C3 20412282 FXXONCAEXVTMSW-UHFFFAOYSA-N 413.901 4.802 0 40 HJAB Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)nn12 20609760 YVYVSFOOBRLUBY-UHFFFAOYSA-N 404.282 4.720 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCC(=O)c1ccc2c(c1)CCC2 23731060 DMLZLZAWUNQZJT-UHFFFAOYSA-N 415.537 4.599 0 40 HJAB O=C(CSc1nnc(-n2cccc2)n1Cc1ccccc1)Nc1ccccc1Cl 28534750 WAZHABSODBJRJA-UHFFFAOYSA-N 423.929 4.501 0 40 HJAB COc1ccc2c(C)c(CCC(=O)N(C)[C@@H]3CCCc4ccccc43)c(=O)oc2c1 29258861 SCAXQRSKAMWCIF-JOCHJYFZSA-N 405.494 4.579 0 40 HJAB O=c1c(C(F)(F)F)cccn1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 31814835 SVFNXGMHPJWIHI-UHFFFAOYSA-N 417.818 4.967 0 40 HJAB O=C1N[C@@H](c2ccc(OCc3ccccc3)c(Br)c2)Nc2ccccc21 32666127 GGWSNJPKNOHUPQ-FQEVSTJZSA-N 409.283 4.882 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)c2cc(Cl)c(OC)c(Cl)c2)c(OC)c1 32747577 SJRYRYYUEHWHLW-QGZVFWFLSA-N 410.297 4.997 0 40 HJAB CCN(C(=O)c1ccc(OCc2csc(C)n2)c(OC)c1)c1ccc(F)cc1 32765730 NFWBLGALMPJQGB-UHFFFAOYSA-N 400.475 4.845 0 40 HJAB COc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(OC)c1 38834656 WUWWWOHHDGLQTR-UHFFFAOYSA-N 423.340 4.861 0 40 HJAB CC(C)(C)c1nc2cc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)ccc2o1 40081637 NSOWADKPIMOZCR-UHFFFAOYSA-N 411.527 4.678 0 40 HJAB COc1ccc2nc(CN(CCCn3ccnc3)Cc3cccc(F)c3)ccc2c1 43277710 PPYROLHYEYAUCV-UHFFFAOYSA-N 404.489 4.672 0 40 HJAB O=S(=O)(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cc(Cl)ccc1Cl 44892154 FFTOAGUSWOPZDF-HNNXBMFYSA-N 412.298 4.522 0 40 HJAB Cc1sc2ncn(Cc3noc(-c4cccs4)n3)c(=O)c2c1-c1ccccc1 45102692 CNFHTHQIKSTMPL-UHFFFAOYSA-N 406.492 4.593 0 40 HJAB CC(=O)N[C@@H](CC(=O)Nc1cccc2c1CN(CC(C)C)C2)c1ccc(Cl)cc1 89840213 AGEVUZMRFJBXGT-QFIPXVFZSA-N 413.949 4.518 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cccc(Cl)c2F)S1 96117079 BHCBNJYVQWGJGP-BZNIZROVSA-N 409.914 4.985 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cc1nc(C2CC2)no1 96119590 VCFNZOSGGWDDNX-UHFFFAOYSA-N 411.889 4.987 0 40 HJAB CCNC(=O)c1cccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)c1 105039852 CCOPXHORZPOUEL-UFINEARASA-N 402.538 4.913 0 40 HJAB O=C(COc1ccc(Br)cc1Cl)NCc1ccc2ccccc2c1 222787314 DBURSPOAQIIJQH-UHFFFAOYSA-N 404.691 4.951 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 223125662 SYLGIBDJTVCTRQ-GOSISDBHSA-N 400.950 4.525 0 40 HJAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)c1 223792338 GYBOMVJMWWEFPZ-UHFFFAOYSA-N 413.520 4.566 0 40 HJAB Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1S(=O)(=O)N1CCCCCC1 224024440 CSIIIZNAJIXVNV-UHFFFAOYSA-N 408.608 4.504 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@H](C)c3ccccc3C)ccc2C)cc1 224047352 JHHNUCQGRIXKEY-LJQANCHMSA-N 422.550 4.904 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 224399806 MHPPLKMRRWNJDR-HSZRJFAPSA-N 410.533 4.543 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)ccc1Cl 224480281 HOABFJVGRIPGQQ-CQSZACIVSA-N 401.890 4.802 0 40 HJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1cccc(CN2CCCC2)c1 224624564 PPIUMELDMIYZQD-DEOSSOPVSA-N 402.538 4.909 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 225175116 SCAHDTREAAQSMR-ROUUACIJSA-N 400.950 4.605 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)C)cc1 225609866 DXLIHDVBJHKGRJ-INIZCTEOSA-N 421.368 4.786 0 40 HJAB COc1cc(OC)cc(-c2nc3cc(Br)cc(Br)c3[nH]2)c1 226343591 UIBASYWWIUKTMH-UHFFFAOYSA-N 412.081 4.772 0 40 HJAB Cc1cccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)c(Br)c2)c1 226356447 DUWAYPOYBLKVSC-UHFFFAOYSA-N 400.228 4.968 0 40 HJAB O=C(COc1ccccc1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257336056 YMZLJLBOIRVIRC-GOSISDBHSA-N 410.901 4.704 0 40 HJAB COCCN1C(=O)S/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C1=O 409127987 IFHMLUAXERDFOM-UDWIEESQSA-N 410.470 4.511 0 40 HJAB O=C(Nc1ccc(-c2ncco2)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 500405599 LVQVSVOJDDNYCA-UHFFFAOYSA-N 416.334 4.938 0 40 HJAB Cc1ccc(Cc2nc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cs2)cc1 506817477 FQCALZHBSKPEGN-UHFFFAOYSA-N 419.550 4.533 0 40 HJAB CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@H]1Oc1ccccc1 1199187849 USVDDTJQZMZRBD-RCCFBDPRSA-N 412.383 4.591 0 40 HJAB O=C(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(CN2CCCCC2)c1 1543391399 XKWHIXQDXCNDPB-UHFFFAOYSA-N 405.586 4.953 0 40 HJAB Cc1c(Br)cccc1CCNC(=O)N1CCC(c2ccc(O)cc2)CC1 1687563502 DVTURPVXLDWTOQ-UHFFFAOYSA-N 417.347 4.595 0 40 HJAB Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCCN3Cc3ccc(Cl)cn3)n2)n1 2037905343 KMZRCXGMKTYVFS-IBGZPJMESA-N 423.952 4.711 0 40 HJAB O=C(Nc1cccc(Cl)c1)Nc1nonc1NC(=O)Nc1cccc(Cl)c1 1236197 HKALZWVUFIYREB-UHFFFAOYSA-N 407.217 4.664 0 40 HJAB Cc1cc2c3c(c1)[C@](C)(c1ccccc1)CC(C)(C)N3C(=O)/C2=C1\SC(=O)NC1=O 2442543 KWEUVISISCIYTN-YKZVTOKOSA-N 418.518 4.524 0 40 HJAB COc1ccc(CC(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)cc1OC 4063067 FWHLAAFNOIXRPP-UHFFFAOYSA-N 419.506 4.865 0 40 HJAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc(C(=O)c2ccccc2)cc1 4275905 PMIWPWYNWBOGRD-UHFFFAOYSA-N 403.825 4.873 0 40 HJAB Cc1ccc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)c1 4555061 DXZHQHXKIHWIOC-RUZDIDTESA-N 419.908 4.964 0 40 HJAB COc1cccc(CNCc2ccc3c(c2)OCO3)c1OCc1ccccc1Cl 5019751 ZEQIRPNYTLYVRT-UHFFFAOYSA-N 411.885 4.946 0 40 HJAB C1CCC2(CC1)OC[C@@H]([C@@H]1OC3(CCCCC3)O[C@H]1[C@H]1COC3(CCCCC3)O1)O2 5214492 WGMZNGZBEGHRHH-WOZUAGRISA-N 422.562 4.582 0 40 HJAB C[C@@]1(N2CCCCC2)[C@@H](O)c2cc(Br)ccc2O[C@H]1c1ccccc1 5531084 PDCAUFHRAKNQNX-PCCBWWKXSA-N 402.332 4.861 0 40 HJAB CCN(CC)P(=Nc1ccccc1)(c1c(C)[n+](C)c2ccccn12)N(CC)CC 5601743 QEWNNLWPTFIZOH-UHFFFAOYSA-N 412.542 4.744 0 40 HJAB Cc1ccc2c(Cl)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)sc2c1 5619184 AOMGNIRASRPBCH-UHFFFAOYSA-N 411.914 4.913 0 40 HJAB CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@H](C)CC)cc1 5825024 ZOIXLMKIOZWTJH-AUUYWEPGSA-N 403.548 4.903 0 40 HJAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c(C)c1 6947348 CHWICDWCBQEPDZ-UHFFFAOYSA-N 400.544 4.509 0 40 HJAB Cn1c(SCc2nc(-c3ccccc3Cl)no2)nnc1-c1ccc(F)cc1 7087186 YSURJSWRVSZDHM-UHFFFAOYSA-N 401.854 4.617 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2Oc2ccccc2)c1C 7698931 JMQLOJVQAOVCTO-UHFFFAOYSA-N 421.449 4.640 0 40 HJAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)c1 7882307 LKUPFLPMYZSGRC-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB COCCNc1nnc(Sc2ncnc3scc(-c4ccc(C)cc4)c23)s1 8201292 PVODAVLZBWYKMX-UHFFFAOYSA-N 415.569 4.728 0 40 HJAB O=C(Nc1ccc(Cl)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 8379395 IPSNPMOATOQKAG-OAQYLSRUSA-N 412.898 4.960 0 40 HJAB CN(Cc1ccccc1N1CCCC1)C(=O)COc1ccccc1-c1ccccc1 8390192 QMDSCHIUWFPYBI-UHFFFAOYSA-N 400.522 4.991 0 40 HJAB Cc1oc2cc(OCC(=O)N[C@H](C)c3ccco3)ccc2c(=O)c1Oc1ccccc1 9386423 FTGIDSKNBZHCRH-OAHLLOKOSA-N 419.433 4.743 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4cccc(F)c4)ccc32)cc1 10220762 VWLPUEXSHJOONS-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB CS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(s2)-c2cccc4cccc-3c24)cc1 10252747 XFDQZLWWBOLMTE-UHFFFAOYSA-N 420.515 4.528 0 40 HJAB Cc1c(C(=O)OC(C)C)c2cc(OC(=O)c3ccco3)ccc2n1C(=O)c1ccco1 10272065 PJRJYPJJXBIOFY-UHFFFAOYSA-N 421.405 4.609 0 40 HJAB biogenic C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 10449882 GEMCNTGKGLELOW-GYCJOSAFSA-N 418.518 4.645 0 40 HJAB COc1cccc(-c2ccc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)nn2)c1 12140490 KUWDNGKUYBONFZ-UHFFFAOYSA-N 419.428 4.902 0 40 HJAB O=C(Nc1cc(C(=O)N2CCc3sccc3C2)ccc1Cl)c1cccs1 12215840 WHQVSFQFAOLMST-UHFFFAOYSA-N 402.928 4.914 0 40 HJAB O=C(CNc1ccc(Br)cc1)N[C@H](c1ccc(F)cc1)c1cccs1 12536368 YXWVHDSDAXZNQE-LJQANCHMSA-N 419.319 4.967 0 40 HJAB Cn1ccnc1[C@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1ccccc1 12630070 DYCWVYDKXSBKDV-HXUWFJFHSA-N 422.941 4.645 0 40 HJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCCCN1C(=O)c1cccs1 12735727 MEOFTXCDIKCDJW-CYBMUJFWSA-N 414.861 4.636 0 40 HJAB Cc1cccc(Oc2ccccc2NC(=O)Cc2csc(NC(=O)C3CC3)n2)c1 12980429 VWTBKLWIWUUJNB-UHFFFAOYSA-N 407.495 4.774 0 40 HJAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 13010716 PPJJDTQKPDSDER-SFHVURJKSA-N 403.526 4.564 0 40 HJAB Brc1cccc(-c2noc(CSc3nnc(C4CC4)n3C3CC3)n2)c1 13128225 CROJPSSLLLXUHJ-UHFFFAOYSA-N 418.320 4.595 0 40 HJAB CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc(OC)cc2)CC1=O 14095542 ZOCXDKAHHVVZTQ-LJQANCHMSA-N 421.541 4.630 0 40 HJAB C[C@H]1c2ccsc2CCN1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 14233154 XEFQOYXVOCEESW-JKSUJKDBSA-N 411.596 4.683 0 40 HJAB CC[C@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(C)cc1 15310155 MMLOCJHQBNKCNH-FCHUYYIVSA-N 408.542 4.561 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccccc3C)c2)cc1 15685462 CSELQIPIFRECKK-GOSISDBHSA-N 408.523 4.595 0 40 HJAB COc1ccc([C@@H](NC(=O)c2sc3ccccc3c2Cl)c2nccn2C)cc1 16472908 FAMWPMZVLJVRIN-GOSISDBHSA-N 411.914 4.816 0 40 HJAB Cc1cc(NC(=O)COc2ccc(OCc3ccccc3)cc2)n(-c2ccccc2)n1 18195003 QKPIOMCBJHNNHW-UHFFFAOYSA-N 413.477 4.777 0 40 HJAB COc1ccccc1CN1CCC[C@@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 19570219 ABLIGMZVMXTMTD-ATIYNZHBSA-N 421.585 4.740 0 40 HJAB Cc1csc(Nc2cccc(C(=O)N(C)Cc3nnc(-c4ccccc4)o3)c2)n1 19663965 VSDLMYYYAVJIBD-UHFFFAOYSA-N 405.483 4.517 0 40 HJAB CC[C@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 20045899 XSWFTEMFQNSZLL-QFIPXVFZSA-N 422.550 4.701 0 40 HJAB COc1ccc(OCCCCn2c([C@H]3CCCN3C(C)=O)nc3ccccc32)cc1 21787523 MKMSFUBTOQOMDH-HSZRJFAPSA-N 407.514 4.588 0 40 HJAB O=C(c1csc(Nc2cccc3ccccc23)n1)N(CCO)Cc1ccccc1 23213140 LFYFHMIYYBIHQD-UHFFFAOYSA-N 403.507 4.675 0 40 HJAB COc1cc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)cc(OC)c1OC 27664324 FTBJCCSOGGEWPT-UHFFFAOYSA-N 401.459 4.760 0 40 HJAB Cc1sc2ncn(Cc3noc(-c4ccsc4)n3)c(=O)c2c1-c1ccccc1 31699457 DQZWPZVCJSOGJP-UHFFFAOYSA-N 406.492 4.593 0 40 HJAB CCOc1ccc(-c2cc(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)no2)cc1 32593659 GRZBEQQMLITZOA-QHCPKHFHSA-N 419.525 4.697 0 40 HJAB C[C@H](NC(=O)CCC(=O)c1cccs1)c1cccc(NC(=O)c2ccccc2)c1 36394686 SSOWSDRNSMLPGS-INIZCTEOSA-N 406.507 4.841 0 40 HJAB O=C(NCCSCc1ccccc1F)C1CCN(Cc2cccc(Cl)c2)CC1 39766532 WGDJETSGBWJKAF-UHFFFAOYSA-N 420.981 4.741 0 40 HJAB CNC(=O)c1ccc(CN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C2CC2)cc1 43435952 FCQLAEUSTXYZNS-UHFFFAOYSA-N 411.505 4.814 0 40 HJAB CCOC(=O)CCN(Cc1cccnc1)C(=O)CC(c1ccccc1)c1ccccc1 48332471 AEXILHJYWLJIOR-UHFFFAOYSA-N 416.521 4.586 0 40 HJAB Cc1cc(C)nc(Nc2nc(C(=O)Nc3nc4ccc(Cl)cc4s3)cs2)n1 49032303 DSPNWVHSEPBABL-UHFFFAOYSA-N 416.919 4.809 0 40 HJAB CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cc2cc(OC)c(OC)cc2nc1Cl 58161643 KXJVVTABNNZTBR-INIZCTEOSA-N 413.861 4.586 0 40 HJAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@H]3c2ccccc2OC(C)C)c1 61719055 BCGJPLDCNWUKSS-KRWDZBQOSA-N 407.470 4.800 0 40 HJAB Cc1oc(-c2ccc(Cl)cc2)nc1Cn1ccn2nc(-c3ccccc3)cc2c1=O 64977470 KOSGZVHJQMFPOB-UHFFFAOYSA-N 416.868 4.828 0 40 HJAB COc1ccc(-n2c(SCCc3ccccc3)nc3ccccc3c2=O)c(OC)c1 67258877 BYHQDJYNQKLVOC-UHFFFAOYSA-N 418.518 4.738 0 40 HJAB C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)CSc1ccncc1 79019169 GPWHBJJAYPMMTK-GFCCVEGCSA-N 407.326 4.925 0 40 HJAB CCc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 95748928 NSAPJLLDBJTIIN-QHCPKHFHSA-N 401.462 4.913 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 102735469 IGDNOVPTPQAEFM-HKBOAZHASA-N 422.843 4.530 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)COc3cc(OC)cc(OC)c3)ccc21 218892540 DVMUAIQEWIOVSC-UHFFFAOYSA-N 404.466 4.849 0 40 HJAB O=C(NCc1ccccc1Cl)C1CCN(Cc2ccc(Br)cc2)CC1 219422082 ZLXAOWJNUPPKMS-UHFFFAOYSA-N 421.766 4.631 0 40 HJAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCS[C@@H](c2cccs2)CC1 219552228 YDLANPAYBPIPNU-CQSZACIVSA-N 408.397 4.924 0 40 HJAB CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220708495 LCMDJPYNRPVINZ-IBGZPJMESA-N 422.978 4.955 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 222662531 YCHQWYIRDMAILD-LJQANCHMSA-N 418.537 4.551 0 40 HJAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCc2cc(Br)ccc21 222990589 ZFLBQUOPVVIEKR-UHFFFAOYSA-N 407.116 4.507 0 40 HJAB C[C@H]1Cc2cc(Br)cc3c(=O)c(C(=O)Nc4ccccc4Cl)cn1c23 223103960 BAPZEEUIJMDREG-JTQLQIEISA-N 417.690 4.787 0 40 HJAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223355048 IDJNOBIIQLCLGO-DHIUTWEWSA-N 414.534 4.946 0 40 HJAB Fc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 223356075 DERUOKWZBMAKRP-YADHBBJMSA-N 418.497 4.777 0 40 HJAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 223972505 IIRNTDTVKWQDDN-OAHLLOKOSA-N 414.914 4.632 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1F 225034983 TYUXVXTUCKWPFU-QHCPKHFHSA-N 410.533 4.625 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 225277608 JQOFAINVHNZQLS-NRFANRHFSA-N 418.940 4.745 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 225518937 KJDQDLSJHNJTLL-QPPBQGQZSA-N 408.586 4.876 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 225700629 MVXMWMCITFULIT-JOCHJYFZSA-N 412.599 4.809 0 40 HJAB Cc1cc(Nc2ncc(C)s2)cc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 257268706 MMVPDYKUSITGMA-GOSISDBHSA-N 422.554 4.684 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2Cl)cc1 408545702 MRDLAHFTEOJHTC-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccccc1O 408598846 BURNMWGNGZDUEA-UHFFFAOYSA-N 414.490 4.642 0 40 HJAB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2ccccc2Cl)o1 408637460 KRYCKGYKQXFIPC-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 408707342 NETSPZWJMSUINO-UHFFFAOYSA-N 413.304 4.880 0 40 HJAB O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 409022813 GCHTZAFVSOABAC-UHFFFAOYSA-N 421.722 4.593 0 40 HJAB CCc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl 409177490 BHQOBVUCWXXBTB-UHFFFAOYSA-N 411.841 4.770 0 40 HJAB CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccccc3)o2)C1=O 409217569 QDRZKEVAAKIMNL-YBEGLDIGSA-N 417.508 4.666 0 40 HJAB O=C(C[C@H](c1cccc2ccccc12)n1cccc1)N1CC[C@]2(O)CCCC[C@@H]2C1 575443369 QOWFWBDEKGRBJK-YMVVMYQSSA-N 402.538 4.774 0 40 HJAB CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585274693 YMMWIUYBVQSXTA-KJXAQDMKSA-N 409.457 4.519 0 40 HJAB C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2cc3c(s2)CCCCC3)C1=O 1544371956 TWXSNYORJAZVBG-BEFAXECRSA-N 414.546 4.638 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)c1 678154 QYUNJOWKGOVRCB-UHFFFAOYSA-N 409.829 4.813 0 40 HJAB COc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)c(C)c1 919407 CFHKMMUPTWZBEA-PBHICJAKSA-N 420.391 4.706 0 40 HJAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N(c1ccccc1)c1ccccc1 976226 WHANBTDKYMKXRN-UHFFFAOYSA-N 414.534 4.863 0 40 HJAB COc1ccc(Cl)cc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 986854 HMBDRDWKYQYLDZ-BWWMBTDCSA-N 415.876 4.745 0 40 HJAB CC(C)(CNS(=O)(=O)c1ccc2ccccc2c1)SCc1ccc(F)cc1 1401978 SYPNPLYPNFIVND-UHFFFAOYSA-N 403.544 4.969 0 40 HJAB O=C1CSC2=NC3=C(CCc4ccccc43)[C@@H](c3ccc(Br)cc3)N12 1411890 HDAFPNSPZGSCSS-LJQANCHMSA-N 411.324 4.793 0 40 HJAB COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)c1 2434106 NFBZJYRUYPBJHG-LJQANCHMSA-N 422.824 4.501 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)N1CCN(c2ccccc2F)CC1 2513670 LYFNJDDABOFMCX-UHFFFAOYSA-N 401.791 4.852 0 40 HJAB Cc1ccc2c(c1)C1=C([C@@H](c3cccs3)O2)[C@H](c2ccccc2F)N2N=CNC2=N1 2707239 REPITCNPHAZQEL-FCHUYYIVSA-N 416.481 5.000 0 40 HJAB COc1ccc(-n2ccnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 2723189 VWKBLMQOUQJKMS-UHFFFAOYSA-N 407.417 4.631 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)c(Br)c1 3252275 OBNGTNQADACZIT-UHFFFAOYSA-N 417.086 4.860 0 40 HJAB Cc1cc(Cl)ccc1OC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 3279908 ZYRNEYXKFLFVPS-UHFFFAOYSA-N 415.898 4.693 0 40 HJAB CC(=O)c1cc(C)ccc1OCC(=O)NCCC(c1ccccc1)c1ccccc1 3421971 QRUULDSMDBBMSH-UHFFFAOYSA-N 401.506 4.915 0 40 HJAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCCC2)C(=O)N(C)c1ccccc1 3505235 VRKUZXWYBWARBL-KRWDZBQOSA-N 402.494 4.712 0 40 HJAB CC[C@@H](C)NC(=O)c1c(C)nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc12 4181691 JQTIGWBLFAKSGZ-SNVBAGLBSA-N 410.827 4.905 0 40 HJAB Cc1[nH]c(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)nc1Cc1ccccc1 4485580 LUDSNEQOTQRPGV-LBPRGKRZSA-N 405.445 4.846 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2C)c(C)c1 4865495 UXEPCGWIXWYTQT-UHFFFAOYSA-N 412.486 4.804 0 40 HJAB COc1cc2nc(SCc3cccc(Cl)c3)n3nc(C)nc3c2cc1OC 5005749 DVSOLOFEMQXPEI-UHFFFAOYSA-N 400.891 4.549 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc(Cl)c4)[C@@H]3C2=O)cc1 5047495 WNDKNSZFOUQZQR-BDTNDASRSA-N 418.880 4.700 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1c(F)cccc1F 5887384 VGZSBXMPKPBZQG-UHFFFAOYSA-N 412.421 4.536 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(I)cc1C 5960446 OZXIXTUKLTUHJA-UHFFFAOYSA-N 401.631 4.514 0 40 HJAB Cc1ccc(N2C(=O)/C(=C\Nc3cccnc3Cl)c3ccccc3C2=O)cc1C 6083174 KYOLPELHDOUWKK-UYRXBGFRSA-N 403.869 4.992 0 40 HJAB C[C@@H]1CCCN(C(=O)CSc2ncnc3cc(-c4ccc(F)cc4)sc23)C1 6365097 HZGSGMQVWZJHGS-CYBMUJFWSA-N 401.532 4.848 0 40 HJAB COC[C@H](C)n1c(COc2ccccc2F)nn(CN2[C@H](C)CCC[C@H]2C)c1=S 6586390 PVOVWDJZOPIROK-ZACQAIPSSA-N 422.570 4.560 0 40 HJAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(CN(CC)CC)cc2)cc1 6629115 SUGQWQCLCNHDQY-UHFFFAOYSA-N 413.587 4.834 0 40 HJAB COc1cc(OC)cc(C(=O)NCCSCc2c(Cl)cccc2Cl)c1 8108140 LYQUTHJOWJEOPP-UHFFFAOYSA-N 400.327 4.674 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)N2CCC(Cc3ccccc3)CC2)no1 8751511 NMFNLUQKIHRXFS-UHFFFAOYSA-N 407.539 4.765 0 40 HJAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc21 8840604 SGCDUIQKMCRARQ-UHFFFAOYSA-N 420.534 4.844 0 40 HJAB O=C(Nc1cccc(Br)c1)C1CCN(Cc2cccc(Cl)c2)CC1 9063276 YMRPPHRACMQTRE-UHFFFAOYSA-N 407.739 4.953 0 40 HJAB O=C(Cc1ccc2c(c1)OCO2)N(Cc1ccccc1)c1nc2ccccc2s1 9522211 SGYSWKHZRAXAIS-UHFFFAOYSA-N 402.475 4.801 0 40 HJAB Cn1c(SCC(=O)c2ccc[nH]2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 9944389 POVGULAUEAUBRL-CQSZACIVSA-N 414.600 4.998 0 40 HJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10446976 HEKBDXXOAMCCPU-HNNXBMFYSA-N 402.947 4.698 0 40 HJAB CCC(CC)C(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc2nccnc2c1 12322536 XQOKAGPPIVAHBU-HSZRJFAPSA-N 402.498 4.752 0 40 HJAB O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc(-c2ccccc2)cc1 12329412 XSZJQOXYYOOJBR-LOSJGSFVSA-N 415.533 4.738 0 40 HJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(Br)cc3F)cc2)cs1 12615331 CTKOJTSSEINSOZ-UHFFFAOYSA-N 405.292 4.950 0 40 HJAB COc1cc(OC)c(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1OC 12799745 MUMFHEBENWDBFC-UHFFFAOYSA-N 405.494 4.598 0 40 HJAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cn(Cc2ccccc2)nn1 14166892 DDEMNAVSICCKAB-UHFFFAOYSA-N 414.309 4.616 0 40 HJAB CC1=CC(C)(C)N2C(=O)[C@@]3(SCC(=O)N3c3ccc(C)cc3)c3cc(C)cc1c32 14671888 BYZUJYIRFWZLIA-DEOSSOPVSA-N 404.535 4.778 0 40 HJAB CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(Cl)cc2C)n1 15019477 XZBFRIHYOIBMBA-UHFFFAOYSA-N 402.907 4.563 0 40 HJAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2C)cc1 15911167 HVPPCTMOMVRHDU-UHFFFAOYSA-N 422.485 4.930 0 40 HJAB COc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 16120435 GGPWRKPIHKCFEX-UHFFFAOYSA-N 411.104 4.565 0 40 HJAB C[C@@H](NC(=O)CSc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccccc1 16576879 ODNBLEFEKWNGEY-CQSZACIVSA-N 422.531 4.886 0 40 HJAB CCCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3nc(C(C)(C)C)cc3N2)C1 19501262 AVFSHQIBUFUSPQ-IJEWVQPXSA-N 400.489 4.507 0 40 HJAB COc1cc2ccccc2cc1C(=O)Nc1ccc(OC)c(-c2ccc(CO)o2)c1 20139199 YEDQCPBBOJKUMT-UHFFFAOYSA-N 403.434 4.862 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccc(CN2CCCC2=O)c1 21588164 JLVWVRCWKGIGEY-UHFFFAOYSA-N 417.943 4.900 0 40 HJAB COC(=O)CC(=O)C[C@H](O)/C=C/c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C 21989039 GARMPDXDAZRRAW-JXOMPUQVSA-N 423.484 4.925 0 40 HJAB in-vitro CCCOc1cc2sc(NC(=O)COc3ccc(OC)cc3)nc2c2cccnc12 28291195 UYWIZWYAUDAHFV-UHFFFAOYSA-N 423.494 4.659 0 40 HJAB CC[C@@H](NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccccc1 30857810 UMJVKJJWWLUJFS-JOCHJYFZSA-N 422.550 4.534 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCC(c2noc3cc(F)ccc23)CC1 32074056 JIURMMCDPWNXCU-QFIPXVFZSA-N 407.445 4.762 0 40 HJAB CC[C@H](C)Nc1nnc(S[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)s1 32777514 CQEPZPFCKZIYIR-LSDHHAIUSA-N 419.620 4.858 0 40 HJAB CC[C@H]1CCc2sc(C(=O)NC[C@H](c3ccccc3OC)N3CCCC3)cc2C1 32983094 XAJKVMZMGJANRU-FXAWDEMLSA-N 412.599 4.839 0 40 HJAB COc1ccc(-c2nc(CN(C)Cc3cc(Br)ccc3OC)co2)cc1 36694721 IUGYHYSRMYDDAH-UHFFFAOYSA-N 417.303 4.753 0 40 HJAB O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccnc1N1CCCCC1 40133603 ZZWSLTHWFNOXBV-STQMWFEESA-N 423.401 4.711 0 40 HJAB CC1CCC(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 40143591 GRLIJLPXIBAAMC-UHFFFAOYSA-N 419.319 4.532 0 40 HJAB Cc1noc(-c2cccc(NC(=O)c3ccc(OCc4csc(C)n4)cc3)c2)n1 40152764 UJYVFSAPBQHXRI-UHFFFAOYSA-N 406.467 4.641 0 40 HJAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1C(F)(F)F 41077050 XEOMSIRSGRAZBN-UHFFFAOYSA-N 403.404 4.991 0 40 HJAB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1N1C[C@@H](C(=O)O)CC1=O 45887783 BEBQJGYCIZTIKW-NSHDSACASA-N 405.237 4.548 0 40 HJAB CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3Br)c(=N)oc2c1 67341955 JDTYDTMGIHCBML-UHFFFAOYSA-N 414.303 4.773 0 40 HJAB Cc1ccnc(-n2cccc2CN2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)c1 72347912 MUHMQSGVUYTGKX-UHFFFAOYSA-N 422.916 4.579 0 40 HJAB O=C(Nc1ccc(F)cc1)O[C@H]1CCC[C@H](NC(=O)c2cc(-c3ccccc3)on2)C1 77200356 ACSSJRQHXHGPQC-OALUTQOASA-N 423.444 4.770 0 40 HJAB C[C@@H]1CN(Cc2ccccc2)c2ccccc2N(C(=O)CCCNC(=O)C(C)(C)C)C1 84715211 DMZFTYSJNCYSAT-HXUWFJFHSA-N 421.585 4.618 0 40 HJAB O=c1c(Cl)c(N[C@H]2CCSc3c(F)cccc32)cnn1-c1ccc(F)cc1F 89800208 GMVUAISECXCJAK-AWEZNQCLSA-N 423.847 4.952 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCC(C)CC4)cc3)n2)cc1 219236433 PRZXSYRXDQCBLA-UHFFFAOYSA-N 418.541 4.549 0 40 HJAB Cc1ccc(-c2noc(CNC(=O)CCCSc3ccc(Cl)cc3)n2)cc1 222696608 VFGRJNICCZQHJI-UHFFFAOYSA-N 401.919 4.887 0 40 HJAB Cc1cccc(OCCNC(=O)C2CCN(Cc3cccc(Cl)c3Cl)CC2)c1 224540664 DZDCMFILPZBNNC-UHFFFAOYSA-N 421.368 4.709 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 225029019 NRFQJEDTVNFPQP-XMMPIXPASA-N 406.570 4.794 0 40 HJAB CC[C@@H](NC(=S)Nc1cc(C(=O)OC)ccc1Cl)c1ccc(OC)c(OC)c1 225719945 UMUUGEKKTBCXCE-OAHLLOKOSA-N 422.934 4.582 0 40 HJAB Cc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(C(=O)O)o3)c2)c1 226355602 ORTKVDGJSFJZJS-UHFFFAOYSA-N 414.870 4.733 0 40 HJAB Cc1nc(-c2cccc(NC(=O)c3cnc(O[C@H]4CCOC4)c(Cl)c3)c2)cs1 253407466 WLRXLJPEBFPBGM-INIZCTEOSA-N 415.902 4.587 0 40 HJAB Cc1nc(Nc2nccs2)cc(C2CCN(Cc3cccc(F)c3F)CC2)n1 257201992 AJZSRJYQZUOILO-UHFFFAOYSA-N 401.486 4.643 0 40 HJAB Cc1noc(C)c1CC(=O)N1CCC[C@]12CO[C@@H](c1ccc(F)cc1)[C@H](C(C)C)C2 257290367 QCRQPDPAYOMKDV-XWGVYQGASA-N 414.521 4.768 0 40 HJAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)S(=O)(=O)c1ccc(Cl)cc1 408713890 CAUCVHYXLSGPSO-UHFFFAOYSA-N 419.934 4.508 0 40 HJAB Cc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(C)c1 408736522 CEWSOLZLFLTIHD-GHTZIAJQSA-N 412.530 4.741 0 40 HJAB C[C@@H](c1ccccc1)N1C[C@@]2(COCCN(c3ccc4ccccc4c3)C2)CC1=O 585104123 JBNGDROJXZCCIX-RXFWQSSRSA-N 400.522 4.656 0 40 HJAB O=C(O)c1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1COc1ccccc1 585266896 ULKUNWDCHJRGHL-HXUWFJFHSA-N 409.873 4.749 0 40 HJAB CN1CCN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c2ccccc21 599830717 YENRVIAPCLMVSO-UHFFFAOYSA-N 405.445 4.731 0 40 HJAB Cc1cccc(-c2cccc(CNC(=O)N[C@H]3COc4c(F)cc(F)cc4C3)c2)c1 1678070268 HHHUDHJFPSZUDZ-OAQYLSRUSA-N 408.448 4.743 0 40 HJAB O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912038 DMHVVTPHRCMHPP-HXUWFJFHSA-N 412.288 4.569 0 40 HJAB Cc1cccc(Oc2coc3cc(OCC(=O)NC4CCCCC4)ccc3c2=O)c1 956110 AZHRFFLRNYBICH-UHFFFAOYSA-N 407.466 4.721 0 40 HJAB COC(=O)c1ccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1 1448092 PWWOTYTVTGPETK-UHFFFAOYSA-N 422.414 4.653 0 40 HJAB biogenic CC(C)OC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 2214396 SZUGAFIRODQQQU-UHFFFAOYSA-N 414.387 4.740 0 40 HJAB CCN(CC)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccc(C)cc1 2355517 LEXGZUSKRTYCMH-UHFFFAOYSA-N 414.962 4.857 0 40 HJAB CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(OC)cc1)CC2=O)c1ccccc1 2421724 WTEAXSHWWMTPMI-AZUAARDMSA-N 415.493 4.530 0 40 HJAB CCCOc1cc(/C=C2/N=C(c3ccccc3Br)OC2=O)ccc1OC 2844658 ZGVOYXYSORFYCD-LFIBNONCSA-N 416.271 4.591 0 40 HJAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)NCc1ccccc1Cl 3235742 IVMMNSSQRJZODF-UHFFFAOYSA-N 406.309 4.665 0 40 HJAB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2ccccc2OC(F)F)cc1 3282254 AEMWJLQFIUMHLZ-UHFFFAOYSA-N 421.440 4.536 0 40 HJAB COc1cc(CCC(=O)N(C)C(c2ccccc2)c2ccccc2)cc(OC)c1OC 3290696 XRWLZTUIHTUBLR-UHFFFAOYSA-N 419.521 4.893 0 40 HJAB COc1cc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc(OC)c1OC 4330954 ZNXJSWCELSHLNL-UHFFFAOYSA-N 413.282 4.881 0 40 HJAB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(C(C)(C)C)cc3)co2)n1 4377182 ZLLDSXYXJVWELX-UHFFFAOYSA-N 410.495 4.547 0 40 HJAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(Br)c2)N3)C1 4553971 VWFZDOLUABDDFU-MRXNPFEDSA-N 406.349 4.706 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4598687 DIWZYPPIUZLIDV-AWEZNQCLSA-N 400.906 4.638 0 40 HJAB COc1ccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(OC)c1 4602449 YBRZCPMLFGVRQY-UHFFFAOYSA-N 417.549 4.852 0 40 HJAB CC(C)(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 4703064 NUYGDBWAPDGMHQ-AWEZNQCLSA-N 415.331 4.738 0 40 HJAB Cc1ccc(C)c(CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC4CCCC4)cc32)c1 4965756 ARMIEFHVGWJGOA-UHFFFAOYSA-N 406.526 4.680 0 40 HJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccccc1Cl 4973333 FAZQUTFIBIRRQT-UHFFFAOYSA-N 409.829 4.569 0 40 HJAB CC(C)c1ccc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cc1 5135871 ZHVWTYPXNCXUGD-UHFFFAOYSA-N 406.935 4.646 0 40 HJAB CCOC(=O)c1nnc(-c2cccs2)nc1Sc1cccc(C(F)(F)F)c1 5333530 KKZCSKGKKCWGCF-UHFFFAOYSA-N 411.430 4.947 0 40 HJAB CC(C)(C)C(=O)c1cn(CC(=O)NCCOc2ccc(Cl)cc2)c2ccccc12 6186708 ZOMCOMLBGASCJN-UHFFFAOYSA-N 412.917 4.719 0 40 HJAB Cc1oc2c(C)c3oc(=O)c(CC(=O)Nc4ccc5c(c4)OCO5)c(C)c3cc2c1C 6624334 PXKHXKLPEWWBCF-UHFFFAOYSA-N 419.433 4.683 0 40 HJAB biogenic COc1ccc(Br)c(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1 6931564 ORVOMJCEAPQRBF-CQSZACIVSA-N 420.303 4.567 0 40 HJAB Cc1cccc(-c2nnc(SCc3cc(=O)oc4cc5c(cc34)CCC5)n2C)c1 6943939 VZWIUXWEYKLPAZ-UHFFFAOYSA-N 403.507 4.678 0 40 HJAB COc1ccc(NC(=O)Nc2nnc(SCCc3ccccc3)s2)cc1OC 7573106 YDTGNYIKNZVOPW-UHFFFAOYSA-N 416.528 4.534 0 40 HJAB NC(=O)c1c(NC(=O)CCCCc2nc3ccccc3s2)sc2c1CCCC2 7717890 PRVZWLGYEFUWFJ-UHFFFAOYSA-N 413.568 4.687 0 40 HJAB COc1ccc([C@H](CNC(=O)COc2cccc(C)c2)c2c[nH]c3ccccc23)cc1 7889973 GMTNDPIWGBYLLN-QHCPKHFHSA-N 414.505 4.812 0 40 HJAB O=C1O[C@@H](C(=O)Nc2ccccc2-c2nc3ccccc3s2)Cc2ccccc21 8072264 SGHICSAXWVIIJK-LJQANCHMSA-N 400.459 4.684 0 40 HJAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(OCc2cscn2)cc1 8187625 AISPWNSJECHMFU-UHFFFAOYSA-N 404.491 4.684 0 40 HJAB O=C(Nc1ccc(Br)cc1F)C1CCN(Cc2ccc(F)cc2)CC1 9063626 NIVJNGVYDGSHCJ-UHFFFAOYSA-N 409.274 4.578 0 40 HJAB O=c1c(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccc(F)cc2)oc2ccccc12 9418630 FTQXCAFFUTYLPV-UHFFFAOYSA-N 413.401 4.539 0 40 HJAB O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12)c1ccccc1F 9518465 IHMNAWKVAMUXGI-UHFFFAOYSA-N 418.380 4.805 0 40 HJAB O=C(CN1CCSC1=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 9583394 BSFQPSXPRBNXJZ-UHFFFAOYSA-N 423.357 4.708 0 40 HJAB COc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1Cl 10733100 MSELZVNZUNBDJM-UHFFFAOYSA-N 410.857 4.618 0 40 HJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 11115258 ZQUMZNVEVDFSMK-FCHUYYIVSA-N 407.539 4.820 0 40 HJAB Cc1ccc(C2=NO[C@@H](CC3(C(=O)Nc4ccc(C)c(C)c4)CCOCC3)C2)cc1 12365662 AOKIEGDCZNNIMP-JOCHJYFZSA-N 406.526 4.930 0 40 HJAB Cc1nn2c(=O)c(CCC(=O)Nc3ccc(Cl)cc3)c(C)[nH]c2c1-c1ccccc1 12389928 AYFGCEAHRSHBCC-UHFFFAOYSA-N 420.900 4.531 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 12541210 VFBGBPQESIHMFG-XIKOKIGWSA-N 422.287 4.539 0 40 HJAB CCOc1ccc(CN(CC)C(=O)Cc2csc(-c3cccs3)n2)cc1OC 12790466 NPVBATNQQXAUBJ-UHFFFAOYSA-N 416.568 4.870 0 40 HJAB CCNC(=O)COc1ccc(C(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1 12877203 PNAUVNQLFBBGGH-UHFFFAOYSA-N 404.466 4.555 0 40 HJAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(c2ccccc2Cl)CC1 13071425 CWXHMKIYANVBQU-CYBMUJFWSA-N 412.748 4.796 0 40 HJAB Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 13618737 XDFUWSLMORUIPV-HJOGWXRNSA-N 412.489 4.663 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3Cl)n2C)c1 13870576 OTFLRJWWKQXFSH-CQSZACIVSA-N 416.934 4.648 0 40 HJAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 14267877 OCRNQWGEKIEUSX-UHFFFAOYSA-N 413.355 4.920 0 40 HJAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)cc1 14553172 NUZQYGRBVBBPFY-QGZVFWFLSA-N 404.466 4.662 0 40 HJAB O=c1cc(CSc2nnc(Nc3ccccc3)s2)nc2sc3ccccc3n12 16097344 NVTWYQPWAHMQOH-UHFFFAOYSA-N 423.548 4.797 0 40 HJAB O=C(c1cccc(Cn2cccn2)c1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 19293263 YSPMUMUEUXMHQU-UHFFFAOYSA-N 417.509 4.635 0 40 HJAB Cc1c(C(=O)NC2CCC3(CC2)CC(=O)c2ccccc2O3)oc2ccc(F)cc12 19565626 LMTOYRULPYETKF-UHFFFAOYSA-N 407.441 4.957 0 40 HJAB Cc1cc(NC(=O)c2cccc3c(Br)cccc23)cc(C(=O)O)c1O 20139068 WETAHSCFKANLKZ-UHFFFAOYSA-N 400.228 4.567 0 40 HJAB CC[C@H](C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)c1ccccc1 32796118 KBWQIFAGBKKEIJ-FQEVSTJZSA-N 402.450 4.800 0 40 HJAB COc1nc2cc(C)ccc2cc1CN(CCCn1ccnc1)Cc1ccc(C)o1 36740277 FFBKOOWJEDKXEV-UHFFFAOYSA-N 404.514 4.742 0 40 HJAB Cc1c(NC(=O)CCc2ccccc2)cccc1C(=O)N1CCc2sccc2C1 40051540 MXNXWRLJZSTGOJ-UHFFFAOYSA-N 404.535 4.826 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 48374756 KDDHCYNAXCSMEL-AUUYWEPGSA-N 413.880 4.575 0 40 HJAB CCc1cc(=O)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(-c2cccc(Cl)c2)n1 57527674 ZRFCUFLIBHMXTI-UHFFFAOYSA-N 420.271 4.557 0 40 HJAB O=C(CSc1ccccc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 57624574 OCOPGKZZQSYVRP-UHFFFAOYSA-N 417.578 4.740 0 40 HJAB Cc1nccc(-c2cccc(NCC(=O)N3CC[C@@H](C)Sc4ccccc43)c2)n1 57958655 HWUAVCKVGHPPKG-MRXNPFEDSA-N 404.539 4.781 0 40 HJAB CCOC(=O)/C=C/c1cc(Br)c(OCc2ccccc2F)c(OC)c1 62715616 QRNZPGDCUWROBQ-CMDGGOBGSA-N 409.251 4.752 0 40 HJAB Cc1ccc(F)cc1NC(=O)CSc1nc2ccccc2n2c(C(C)C)nnc12 64949252 ZFUIEEQUPUXYLU-UHFFFAOYSA-N 409.490 4.579 0 40 HJAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC1 65514035 DWUBGODDOFPXRS-UHFFFAOYSA-N 414.914 4.837 0 40 HJAB Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(F)c4)nccn3n2)cc1C 67289932 ANHGKTWJVJMPKZ-UHFFFAOYSA-N 406.486 4.883 0 40 HJAB Cc1ccc2nc([C@H]3CCCCN3C(=O)c3ccc(Cn4cc(Cl)cn4)o3)[nH]c2c1 72346796 ZGUSLIKJLPOCJF-LJQANCHMSA-N 423.904 4.730 0 40 HJAB CCc1c(Cl)nc(-c2ccccc2)nc1N1CCC(CC(=O)N2CCCC2)CC1 78876149 IHFPLAIPZGGVOJ-UHFFFAOYSA-N 412.965 4.588 0 40 HJAB O=C(NC1CCCCC1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 78964272 FOQOOVSMYFMBNP-UHFFFAOYSA-N 405.342 4.972 0 40 HJAB COc1ccc(Sc2nsc(NC(=O)c3cc(-c4ccccc4)on3)n2)cc1 80345366 CQZVZBUDZRPFRP-UHFFFAOYSA-N 410.480 4.605 0 40 HJAB COc1ccc([C@H]2SCC(O)=Nc3ncn(-c4ccc(Cl)cc4)c32)cc1O 95475191 XGDJATDZBFUFRF-GOSISDBHSA-N 401.875 4.664 0 40 HJAB CO[C@@H]1CCN(c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)C1 96122281 LUOXUGWHIPNTDN-OAHLLOKOSA-N 409.711 4.580 0 40 HJAB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@H]1CCCN1c1nccs1 96997989 CJRUPCFAXWZXCO-GFCCVEGCSA-N 420.254 4.532 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cc(C)c(Cl)c(C)c1 218926006 LVXVGPYCTQLDHB-SFHVURJKSA-N 403.906 4.763 0 40 HJAB CC[C@@H](C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1)c1ccccc1 220689741 KQWLVGBLFFFMST-PKOBYXMFSA-N 407.489 4.851 0 40 HJAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 222670636 BTGQPNKILNWZKS-QFIPXVFZSA-N 414.977 4.852 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl 223081912 ZTGRFQZFSMGZHW-HZPDHXFCSA-N 421.368 4.868 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 223254331 SNTIJXNGEMZETR-QHCPKHFHSA-N 424.585 4.713 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 223283407 NEXZSQGSAJPZMC-FQEVSTJZSA-N 421.368 4.706 0 40 HJAB Cc1c(Cl)cnc(NC(=S)NCc2ccccc2Cl)c1Br 223933239 OHBHOQRGLVDEIF-UHFFFAOYSA-N 405.148 4.946 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224059544 KWOWMFUWAUFHHD-JOCHJYFZSA-N 414.977 4.649 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224664428 RKIIROGTONVVAK-NRFANRHFSA-N 406.570 4.794 0 40 HJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1Cl 224953707 JOHHNXJGAUTRPG-PMACEKPBSA-N 412.946 4.568 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 225668821 ZOOSCRSTAKBUJH-INIZCTEOSA-N 421.368 4.725 0 40 HJAB CCc1ccc(CC)c(CNC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 225745210 ZIMQLSQZQLUFOW-UHFFFAOYSA-N 422.550 4.542 0 40 HJAB CCOC(=O)/C=C/c1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 226335994 FWGAWJBFNYXHSN-RMKNXTFCSA-N 409.251 4.752 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)ccc1O[C@H](C)CC 260812515 DTGPZUQWSLAFEL-MFEFFIJZSA-N 405.535 4.965 0 40 HJAB CCn1c(Sc2oc(C=O)cc2Br)nnc1-c1ccc(Cl)cc1 408552269 KXZSSKLNKNCZQB-UHFFFAOYSA-N 412.696 4.938 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NC2CCCCCCC2)cc1 408628108 UGJPLGDQQGELCE-UHFFFAOYSA-N 414.571 4.663 0 40 HJAB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OC 408776683 PMWDKQCQGWCKMA-SARUNTBLSA-N 418.946 4.909 0 40 HJAB COc1ccc(-c2nc(Nc3cccc(Cl)c3Cl)sc2CC(=O)O)cc1 408900560 WBWSRIDIWPZKJY-UHFFFAOYSA-N 409.294 5.496 0 40 HJAB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)NC1=S 409005575 FYBILBFZJMYIKR-YVLHZVERSA-N 421.349 4.958 0 40 HJAB CCOC(=O)c1c(NC(=O)CSCc2ccc(OC)cc2)sc2c1CCCC2 409113714 DSEVUFHXHLKANE-UHFFFAOYSA-N 419.568 4.684 0 40 HJAB Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cc2cc(Cl)ccc2o1 409342031 CVRKRQXQQFUKGI-UHFFFAOYSA-N 416.865 4.752 0 40 HJAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3nc(-c4ccccc4)co3)c12 577871141 JDBOZYIVVNUJGT-UHFFFAOYSA-N 409.449 4.851 0 40 HJAB Cc1ccc(OCC(=O)O[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 1514852243 ZQAGGCMVVOBOLO-IBGZPJMESA-N 405.281 4.862 0 40 HJAB O=C(NCc1cccc(Oc2ccccc2F)c1)NCc1nc2c(s1)CCCC2 1682446537 DHTTUACCQRYZFF-UHFFFAOYSA-N 411.502 4.953 0 40 HJAB Cc1ccc2ncc(-c3cccc([C@H]4CCCN(C(=O)C5CCCCC5)C4)n3)n2c1 2037846399 QCSZREXDNNDBQU-FQEVSTJZSA-N 402.542 4.991 0 40 HJAB C[C@H](Oc1ccccc1)C(=O)Nc1cc(C(=O)NC2CCCCC2)ccc1Cl 713034 BDEKDDRDEVBRRU-HNNXBMFYSA-N 400.906 4.809 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)N2C(=O)CSC2=N1 997637 TVKHREASKDRVGS-OAQYLSRUSA-N 405.523 4.709 0 40 HJAB O=C(c1oc2ccccc2c1COc1ccccc1)N1CCN(c2ccccc2)CC1 2620420 JABYENYZVFBUFH-UHFFFAOYSA-N 412.489 4.974 0 40 HJAB CCCN(CC(=O)Nc1ccc(C(C)C)cc1)CC(=O)Nc1ccc(F)c(F)c1F 2651733 IREKNFPUXCFFSE-UHFFFAOYSA-N 421.463 4.517 0 40 HJAB CCOc1ccccc1N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 2742608 QQGMIWQZPMKFNW-UHFFFAOYSA-N 414.505 4.672 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(CCc1ccccc1)C(=O)c1ccco1 4240628 RHMQJGWLLCHORK-JOCHJYFZSA-N 422.550 4.826 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 4506258 LAYGHRAGBLSTQG-UHFFFAOYSA-N 420.512 4.798 0 40 HJAB CCc1ccc(N2C(=O)N(Cc3ccccc3C)c3ccccc3S2(=O)=O)cc1 5043424 KHEHFJKIDKQRDH-UHFFFAOYSA-N 406.507 4.893 0 40 HJAB COc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1ccc(Cl)cc1)CCCS3 5451886 KPCXWJMONCLYAT-UHFFFAOYSA-N 411.914 4.557 0 40 HJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(-c2ccc(C)cc2)n[nH]1 5867228 UMIZDCDVADAIEM-GFCCVEGCSA-N 402.907 4.561 0 40 HJAB CCc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 6066714 WOOPLJBAANHQEU-LPHOPBHVSA-N 422.550 4.501 0 40 HJAB CC(C)c1ccc(-c2noc(CN3c4cccc5cccc(c45)S3(=O)=O)n2)cc1 8006951 AHRFYCULSQMMJN-UHFFFAOYSA-N 405.479 4.722 0 40 HJAB Cc1nc(-c2cccc(NC(=O)CCn3c(=O)oc4cc(Cl)ccc43)c2)cs1 8156907 DMGKTRUVRDGYKX-UHFFFAOYSA-N 413.886 4.709 0 40 HJAB O=C1[C@@H]2[C@H]3C(Cl)=C[C@H](c4ccccc43)[C@H]2C(=O)N1c1cccc(Br)c1 8442566 MCKXPDXJJQJJHD-VDHUWJSZSA-N 414.686 4.572 0 40 HJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 8480121 BHEGKDURQBVPOZ-LJQANCHMSA-N 402.494 4.639 0 40 HJAB CCCn1c(S[C@@H](C)C(=O)Nc2ccccc2F)nc2cc(Cl)ccc2c1=O 8988562 JRJALXLCNKJROD-LBPRGKRZSA-N 419.909 4.718 0 40 HJAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 12136943 JBTDVYNAOSKZSD-NRFANRHFSA-N 400.478 4.515 0 40 HJAB Cc1nc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)n(C[C@@H]2CCCO2)c1C 12535294 FEOZNIAGEVJOLK-FQEVSTJZSA-N 415.603 4.598 0 40 HJAB C[C@@H]1C[C@@H](Sc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)C(=O)O1 12551370 ZQKCLZOGFKLWBB-SJKOYZFVSA-N 406.429 4.900 0 40 HJAB O=C(CSCc1ccc(C(=O)O)cc1)NCCC(c1ccccc1)c1ccccc1 12743209 RXKPYXXFDDJNPB-UHFFFAOYSA-N 419.546 4.956 0 40 HJAB O=C(CCn1cnc2ccc(Cl)cc2c1=O)Nc1ccccc1-c1ccccc1 12823841 GMIBBBQJOWKKDM-UHFFFAOYSA-N 403.869 4.746 0 40 HJAB FC(F)(F)c1nc(NCc2ccccc2)c2nnn(Cc3ccccc3Cl)c2n1 12881090 AZFVROHQEZSHSB-UHFFFAOYSA-N 418.810 4.554 0 40 HJAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(Cl)cc1Cl 12933531 IGDMVBXUVLYJKR-UHFFFAOYSA-N 408.310 4.692 0 40 HJAB CCc1ccccc1NC(=O)CN(C)C(=O)c1sc(-c2ccc(F)cc2)nc1C 12979302 KGSKFHRTUSKRJK-UHFFFAOYSA-N 411.502 4.531 0 40 HJAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccco1 13684030 STXDHCWMKIFOHO-UHFFFAOYSA-N 400.500 4.501 0 40 HJAB COc1ccc([C@]23CCCC(=O)[C@H]2[C@H]2C(=O)CCC[C@@]23c2ccc(OC)cc2)cc1 16954307 BSDPXGJTKANWJY-XDZVQPMWSA-N 404.506 4.632 0 40 HJAB CC(C)c1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)cc1 17087802 MPJIJHJASMKCDH-UHFFFAOYSA-N 407.898 4.648 0 40 HJAB Cc1cc2cc(NC(=O)c3cc(C4CCN(C5CCCC5)CC4)no3)ccc2n1C 19126238 WYXVIBFOTRQEQF-UHFFFAOYSA-N 406.530 4.849 0 40 HJAB CCOc1ccc(CC(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2)cc1 19532973 WPBMSXWZAPEICZ-QHCPKHFHSA-N 416.525 4.542 0 40 HJAB CCCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccccc4C)n3)cc21 19820280 TVEWEKIHQMYHEZ-UHFFFAOYSA-N 407.495 4.506 0 40 HJAB Cc1ccc([C@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCN(C)CC2)cc1 20192882 QPMRIGGEHMPDDV-JOCHJYFZSA-N 423.582 4.855 0 40 HJAB O=c1[nH]c(=S)n(-c2ccc(Cl)cc2)c2c1CN(Cc1ccccc1Cl)CN2 20567586 XOKUFIFQTSTVGZ-UHFFFAOYSA-N 419.337 4.587 0 40 HJAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2cccc3cccnc23)cc1 25811455 XCKSNWSWWQSMGQ-UHFFFAOYSA-N 418.518 4.635 0 40 HJAB CCCCc1ccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 30955410 MBKCWLLMKXNEQS-UHFFFAOYSA-N 418.541 4.930 0 40 HJAB Cc1ccc([C@](O)(CCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)C(F)(F)F)o1 31570837 YHUOYXWXVFWCDG-YVEFUNNKSA-N 421.868 4.678 0 40 HJAB CN(Cc1ccccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O)C1CCCCC1 32754805 DIEPJXIZAWYRFT-JOCHJYFZSA-N 423.582 4.893 0 40 HJAB CCc1ccc(S(=O)(=O)c2c(C(=O)N3CCC(C)CC3)cnc3ccccc23)cc1 33249279 HKLGYOZUZTTZBF-UHFFFAOYSA-N 422.550 4.502 0 40 HJAB Cc1cc(C(=O)Nc2ccc(-n3cccn3)cc2)c2c(C)nn(Cc3ccccc3)c2n1 36616780 FSCUNCZFZRPRTI-UHFFFAOYSA-N 422.492 4.534 0 40 HJAB Cc1nccn1-c1ccc(CN(Cc2cccnc2)C2CC(C)(C)NC(C)(C)C2)cc1 36740542 BELWEFBLHOTSDD-UHFFFAOYSA-N 417.601 4.887 0 40 HJAB CCOc1ccc(-c2nc(C(=O)Nc3cnn(Cc4ccccc4)c3)cs2)cc1 40157520 RPINTRXKZFAHDV-UHFFFAOYSA-N 404.495 4.706 0 40 HJAB CCOc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)no2)cc1 57486811 LOPZGMAHIJSRHX-UHFFFAOYSA-N 402.454 4.551 0 40 HJAB O=C(CNc1ccc2ccccc2c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 57697331 LGYYUXHYPRPBOG-JOCHJYFZSA-N 402.494 4.777 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3cccc(C(N)=O)c3C)c3ccccc3n2)cc1 58787953 YLOLGUQBMLKRGO-UHFFFAOYSA-N 411.461 4.570 0 40 HJAB CSc1cccc(NC(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)c1 61720941 JHCGEHIYTLJYIL-UHFFFAOYSA-N 407.539 4.564 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 72349606 ALANTDCSQRUSPU-UHFFFAOYSA-N 406.476 4.899 0 40 HJAB CC(C)c1nccn1-c1cccc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)n1 72378823 JKNXUQNPKWXPKT-UHFFFAOYSA-N 420.532 4.869 0 40 HJAB Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1)[C@H]1CCC[C@H](C)C1 84235049 QESMUMSYLVWZFD-DJPFJPOOSA-N 422.573 4.705 0 40 HJAB COc1ccc([C@H]2SCC(O)=Nc3ncn(-c4cccc(Cl)c4)c32)cc1O 95473472 NZPNGCGMXVQANC-GOSISDBHSA-N 401.875 4.664 0 40 HJAB CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCCC[C@H]12 103405374 BPRMDKHXSGCKLD-RBBKRZOGSA-N 424.342 4.773 0 40 HJAB Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(Br)c(C)c1)CC(C)(C)O2 218829003 JLFKHEJYBHQWDZ-SFHVURJKSA-N 418.331 4.863 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1Cc1ccco1 223365927 STVLSJMEYIJIKY-FCHUYYIVSA-N 400.507 4.638 0 40 HJAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 223429609 OMKWTBSWKHQLST-YADHBBJMSA-N 406.555 4.645 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 223973124 GRQJRPQQRLHMCQ-DEOSSOPVSA-N 424.585 4.660 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 224180312 DGHOHZSBJMKQHY-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 224585938 BVBJAFHYYJEITR-XMMPIXPASA-N 408.586 4.734 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)cc1 224638380 MXCBKCBZYJUGPQ-SFHVURJKSA-N 414.977 4.777 0 40 HJAB COc1cccc(-c2cnc(CCC(=O)Nc3ccccc3Br)o2)c1 224845372 JRALMRBXCUBJKZ-UHFFFAOYSA-N 401.260 4.684 0 40 HJAB Fc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225022914 BOPQTLVTNNYOPK-FCHUYYIVSA-N 406.530 4.927 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 225525625 JCYDHWHXUUNHSQ-GCJKJVERSA-N 414.977 4.913 0 40 HJAB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C(F)(F)F 225780690 NYBKTDZNOXAXRT-UHFFFAOYSA-N 423.431 4.800 0 40 HJAB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1ccccc1 409026603 UDBGXIPSESMUNH-ZHZULCJRSA-N 413.429 4.567 0 40 HJAB CCN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 409251296 USXJJVPQADYVFS-GIJQJNRQSA-N 414.292 4.909 0 40 HJAB CN(CCOc1cc(Cl)ccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 500232806 DSVOAMDPFGBRSQ-UHFFFAOYSA-N 407.341 4.609 0 40 HJAB FC(F)(F)c1ccc(-n2cncn2)c(-c2noc(CCn3ccc4ccccc43)n2)c1 547171355 DVHCXFAVMBNUBJ-UHFFFAOYSA-N 424.386 4.534 0 40 HJAB Cc1cc(NC2CCN(Cc3cccc(Br)c3)CC2)nc(C2CC2)n1 1163493851 KCNVBXOFOFNISD-UHFFFAOYSA-N 401.352 4.501 0 40 HJAB O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccccc1Br 829613 BKBGOSYIWTVACM-ZROIWOOFSA-N 407.061 4.556 0 40 HJAB CCOc1ccccc1[C@H](OC(=O)c1cccs1)C(=O)NCc1ccc(C)cc1 1328630 YERATYFWXPHFMX-NRFANRHFSA-N 409.507 4.670 0 40 HJAB COc1ccc(NC(=O)CSc2nc(Cc3ccccc3)nc3ccccc23)cc1 1342610 PXGNPLQUANEFLF-UHFFFAOYSA-N 415.518 4.960 0 40 HJAB COc1ccccc1-c1nnc2sc(COc3ccc(Cl)cc3Cl)nn12 2361289 KDEIWIGENYCHKU-UHFFFAOYSA-N 407.282 4.747 0 40 HJAB Nc1c(C(=O)Nc2ccccc2)sc2sc(C(=O)Nc3ccccc3)c(N)c12 2504082 ASJKDHQNDVSWCG-UHFFFAOYSA-N 408.508 4.632 0 40 HJAB O=C(OCc1ccc(Br)cc1)c1ccc(Cn2cc(Cl)cn2)cc1 2782346 CPYXSOPULOHTRG-UHFFFAOYSA-N 405.679 4.704 0 40 HJAB O=C(NCc1ccccc1Cl)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 3012867 JBLSBWGLXZEMBZ-GDBMZVCRSA-N 424.810 4.720 0 40 HJAB O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(Cl)s1 3176566 KRNAHILPHPVUTI-NXEZZACHSA-N 403.356 4.587 0 40 HJAB O=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)N1CCC(Cc2ccccc2)CC1 3218161 BBPBYOIWJMAICJ-UHFFFAOYSA-N 420.336 4.560 0 40 HJAB C[C@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1ccc2c(c1)OCCO2 3448029 RPFGFVHVQXXJMZ-NSHDSACASA-N 417.870 4.510 0 40 HJAB COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)N1CCN(c3ccc(F)cc3)CC1)CC2 3841690 PZYVISGTACAYFQ-AZUAARDMSA-N 424.560 4.541 0 40 HJAB biogenic,in-vitro COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CCCCC2)cc1 4240695 LCDLOVVTFOGANY-QHCPKHFHSA-N 424.541 4.863 0 40 HJAB Cc1cc(C)c2sc(N(CCCN(C)C)C(=O)c3c(F)cccc3F)nc2c1 4359809 QNNRYMRPDHEMLF-UHFFFAOYSA-N 403.498 4.790 0 40 HJAB COc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1 4937245 WLYNHMNNANYQBQ-UHFFFAOYSA-N 405.400 4.568 0 40 HJAB Clc1ccccc1-c1nnc2n1N=C(c1cccc(Br)c1)CS2 5123700 BYQIHMNEDGHFQT-UHFFFAOYSA-N 405.708 4.719 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](C)N(C)C2CCCCC2)sc2c1CC[C@@H](C)C2 5864818 JAENTPXHDYDHRN-CABCVRRESA-N 406.592 4.641 0 40 HJAB C[C@H](NC(=O)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1)c1ccccc1 6522078 JLDNBSINLCOTIM-GBXCKJPGSA-N 400.522 4.858 0 40 HJAB COc1cc([C@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1cccc(C)c1 6678780 JPLRPUXIOQWNEG-YCRPNKLZSA-N 423.538 4.777 0 40 HJAB COc1ccc(-c2c(C)c3ccc(OCCN4CCCCC4)cc3oc2=O)cc1OC 6760383 RZZQKDOHTRTIGR-UHFFFAOYSA-N 423.509 4.650 0 40 HJAB biogenic Cc1ccc(CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 8330591 CDAUFIRUEPSEGW-UHFFFAOYSA-N 401.329 4.740 0 40 HJAB Cc1coc2cc3oc(=O)c(CC(=O)Nc4nc5ccccc5s4)c(C)c3cc12 8511417 ZFYCBBYKYNQGKA-UHFFFAOYSA-N 404.447 4.947 0 40 HJAB biogenic C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1cccc(Oc2ccccc2)c1 8748500 DOBXJSPQSUHLKU-KRWDZBQOSA-N 402.450 4.622 0 40 HJAB COC[C@H](C)n1c(SCc2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 9216756 VNICDVRZCNLCNE-ZDUSSCGKSA-N 408.445 4.915 0 40 HJAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccccc1SCc1ccccc1 9605372 FJXXKASRSJQUDM-UHFFFAOYSA-N 417.538 4.605 0 40 HJAB COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2F)cc1 9665709 LIOVDTCIJCWDLA-UHFFFAOYSA-N 420.465 4.604 0 40 HJAB COc1ccccc1-c1nc2c3ccccc3nc(SCC(=O)c3ccco3)n2n1 10157703 FUFYGEYTYJIOTC-UHFFFAOYSA-N 416.462 4.521 0 40 HJAB CCCCc1ccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 10328579 VKGZEOVGJHMOGA-UHFFFAOYSA-N 416.587 4.831 0 40 HJAB CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2ccccc2C)NC(=S)N1c1ccccc1 10353043 NBQMVJFRRSWXOQ-OAQYLSRUSA-N 418.522 4.640 0 40 HJAB CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2cccs2)NC(=S)N1c1ccc(C)cc1 11553548 XEJJNGVNHVVUCQ-IBGZPJMESA-N 424.551 4.701 0 40 HJAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=S)[C@@H]1c1cc(Cl)ccc1Cl 12360264 QUVBREBSNOMYTL-ZWKOTPCHSA-N 401.318 4.895 0 40 HJAB CCc1nc2ccccc2n1CC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 12506834 REJLBZCIQVDFPQ-IBGZPJMESA-N 404.539 4.962 0 40 HJAB CCOC(=O)c1sc2nc(COc3c(Cl)cccc3Cl)nc(N)c2c1C 12522990 LHBOVIGLUWYVML-UHFFFAOYSA-N 412.298 4.644 0 40 HJAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(Br)cc1Cl 12793084 IUVXVWLOJXPUEG-UHFFFAOYSA-N 423.694 4.929 0 40 HJAB COc1cc(OC)c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1OC 12852444 SHVMSABGHITHNP-UHFFFAOYSA-N 424.478 4.512 0 40 HJAB O=C(CCSCc1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1 13684859 MIPXGFRZDHIWJQ-UHFFFAOYSA-N 404.535 4.879 0 40 HJAB COc1ccc(OC)c(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 14169707 LBHIJCMARMFOFH-NRFANRHFSA-N 400.478 4.747 0 40 HJAB O=C(CSc1ccc2c(c1)CCC2)Nc1cc(C(F)(F)F)ccc1-n1cncn1 14241974 OIDNWNBKTQOPQA-UHFFFAOYSA-N 418.444 4.506 0 40 HJAB FC(F)(F)c1ccc(Cl)c(-n2c(S)nnc2-c2cc(-c3ccco3)n[nH]2)c1 15985554 AZNPSPJCZLPRCJ-UHFFFAOYSA-N 411.796 4.878 0 40 HJAB Cc1cc2c(=O)n(-c3cc(C)n(Cc4ccc(Cl)cc4)n3)c(=S)[nH]c2s1 17082591 BKVKVDOGZNSCFY-UHFFFAOYSA-N 402.932 4.625 0 40 HJAB COc1ccc(C)cc1CC(=O)N1CCCC[C@H]1c1nc(O)cc(-c2ccsc2)n1 19133048 UZVLWIQUBUAHLO-IBGZPJMESA-N 423.538 4.524 0 40 HJAB Cc1cccc(OCCCC(=O)N2CCC[C@H]2c2nnc(-c3ccsc3)o2)c1C 19235709 CBYWIBLAVXCEPK-SFHVURJKSA-N 411.527 4.938 0 40 HJAB O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1 19370377 RUFPBGWSYMMBBG-BKMJKUGQSA-N 417.528 4.533 0 40 HJAB O=C(c1ccccn1)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 19399981 ZHPMXRMBFLFTNU-ZDUSSCGKSA-N 418.444 4.639 0 40 HJAB COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccsc2)C1 19568960 NCCGPZKAXYQFCC-XXBNENTESA-N 421.566 4.535 0 40 HJAB Cc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 19946268 YGDMAJOAWZHUHQ-UHFFFAOYSA-N 422.550 4.952 0 40 HJAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(-c2nc3ccccc3o2)cc1 21531307 NYDJPYKIUANLDH-UHFFFAOYSA-N 400.434 4.837 0 40 HJAB Cc1ccc(-c2nsc(NC(=O)c3cc(=O)c4cc(Cl)ccc4o3)n2)s1 21659735 KBWPTHDZTMAKCJ-UHFFFAOYSA-N 403.872 4.587 0 40 HJAB COc1cccc([C@H](CNC(=O)c2cccnc2Sc2ccc(C)cc2)N(C)C)c1 23187201 LKCNECBQWIPZCV-QFIPXVFZSA-N 421.566 4.583 0 40 HJAB CCCSc1nnc(SC[C@@H]2CSc3nnc(-c4ccccc4)n32)s1 26112387 OCGPNVANAZWMLN-LBPRGKRZSA-N 407.615 4.738 0 40 HJAB COc1cc(CCC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc(OC)c1OC 29240542 WJMHXYDKMIAFLE-CYBMUJFWSA-N 411.420 4.541 0 40 HJAB CCc1cccc(C)c1NC(=O)Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O 32765056 QZMWAVDXIHKRBF-UHFFFAOYSA-N 415.468 4.712 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875304 CIVLIGJVYIVBGN-NRFANRHFSA-N 400.950 4.800 0 40 HJAB COc1ccc(C)cc1NC(=O)c1nnn(-c2ccc(C)c(C)c2)c1-c1cccnc1 49003595 SQXSLOFJEFVLMP-UHFFFAOYSA-N 413.481 4.515 0 40 HJAB CCN(CC)C(=O)c1ccccc1NC(=O)c1cc(Br)ccc1Cl 56340435 NNWNVOSIMDWYOH-UHFFFAOYSA-N 409.711 4.837 0 40 HJAB CC[C@@H](NC(=O)N(C)CC(=O)Nc1c(C)cccc1C)C12CC3CC(CC(C3)C1)C2 58291607 FHCSNOVVJKMYJE-DLBGWLJESA-N 411.590 4.878 0 40 HJAB C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cccc(NC(=O)c2cccs2)c1 63450326 GJKHOTXMPZLFBY-AWEZNQCLSA-N 421.547 4.971 0 40 HJAB CC[C@H](C)n1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2cc(C)[nH]c2c1=O 67238809 JJQSDDYOLLUQMZ-HNNXBMFYSA-N 412.559 4.858 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cnc(N3CCCCC3)cc2C)cc1 72219259 MLMXFDYHVDIWPF-QFIPXVFZSA-N 413.587 4.605 0 40 HJAB Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 78623935 QWHXUZSTRUMLCJ-AHWVRZQESA-N 412.533 4.791 0 40 HJAB Cn1ccnc1SCc1ccc(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)o1 79050548 VEDXYVOAEDTSSQ-HSZRJFAPSA-N 409.555 4.790 0 40 HJAB Cc1nc([C@H](C)N(C)Cc2nc3ccccc3c(=O)[nH]2)oc1-c1ccc(Cl)cc1 89557950 NUUJGWHOGKBUHX-AWEZNQCLSA-N 408.889 4.733 0 40 HJAB CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)c(Br)c2)CC1 95081641 QRRBMMSTMUKSNX-UHFFFAOYSA-N 409.246 4.525 0 40 HJAB COc1ccc(C(=O)Nc2ccc(N3CCC[C@@H]3C(C)C)c(F)c2)c(OC)c1OC 95465071 RRAOUMYVMNECEE-GOSISDBHSA-N 416.493 4.729 0 40 HJAB CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c2c1 100792643 YOFPIQPIAWDZSZ-LZBHBKQYSA-N 411.546 4.789 0 40 HJAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2[C@H]3CC[C@H]2CC(C)(O)C3)cc1 101458926 LPCFFJPAXPLXAP-OALUTQOASA-N 418.537 4.681 0 40 HJAB C[C@H](NC(=S)NC(=O)c1cc(Br)ccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102203028 QYABROLKQQINBV-MRBYEJRBSA-N 415.784 4.532 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)Nc1ccc(Cl)cc1 108902486 CRPKEJDBOWXIDG-OQLLNIDSSA-N 407.278 4.668 0 40 HJAB CCn1c(S/C(=C\c2ccc(OC)cc2)C(=O)O)nnc1-c1ccc(Cl)cc1 211521912 WQDRBZSOEBWRBK-ATVHPVEESA-N 415.902 4.845 0 40 HJAB CCOc1ccc(CNC(=O)c2ccccc2OCc2ccccc2)cc1OCC 218985996 WZPFJEVNAVJPSL-UHFFFAOYSA-N 405.494 4.993 0 40 HJAB O=C(CCc1cccc2ccccc12)Nc1ccccc1C(=O)NCc1cccnc1 222669466 QOLSHENTZCIXDZ-UHFFFAOYSA-N 409.489 4.736 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 223095763 BMOHLXKYDUFJLG-HXUWFJFHSA-N 412.599 4.811 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 224018035 VELBSLLOUSFPKY-MRXNPFEDSA-N 418.990 4.764 0 40 HJAB CCC(CC)NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224068201 YBAQKNPFVGZMEA-UHFFFAOYSA-N 415.342 4.713 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 224768065 VJMHEIGVTHZISH-HXUWFJFHSA-N 412.599 4.562 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1C 224975315 ZSROLSJNNYUNGH-PMACEKPBSA-N 412.599 4.560 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 225131865 KEWFVVJAQRYLSZ-IAGOWNOFSA-N 418.940 4.662 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 225574182 XTHQBFAXTQLYTP-URXFXBBRSA-N 424.585 4.876 0 40 HJAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(Cc2ccc(Cl)cc2F)CC1 225584192 NDOYUIVJPPMLBK-UHFFFAOYSA-N 404.957 4.776 0 40 HJAB O=C(N[C@@H]1CC[C@H]2OCCO[C@H]2C1)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 253472847 QCOKBBAEXPECJU-AHRSYUTCSA-N 406.309 4.727 0 40 HJAB CCCCc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3OC)o2)[nH]n1 257237834 HIJUWYJBHPRGKZ-OAQYLSRUSA-N 422.529 4.707 0 40 HJAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)CC(C)C)cc1OC 257269724 MRCOUSBIYBZIIG-VJNJQGDRSA-N 415.574 4.749 0 40 HJAB Cc1c(F)cccc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 409008451 YUFCCNJTUQFHHZ-UHFFFAOYSA-N 423.469 4.980 0 40 HJAB Cc1cccc(Nc2cc([C@H]3CCCN(C(=O)/C=C/c4csc(C)n4)C3)ccn2)n1 585291902 VHXAUMHSLRWPML-SGQUHAKNSA-N 419.554 4.713 0 40 HJAB COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCCC3)c(OC)c1 647952 CMZPSQOPTJIUBO-UHFFFAOYSA-N 417.527 4.852 0 40 HJAB COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCCCCC3)o2)cc1 1422145 AGEAKWAQLQLLKS-UHFFFAOYSA-N 412.511 4.563 0 40 HJAB O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1ccc(Br)cc1 1505716 BCILXMMOAHQHSN-NTEUORMPSA-N 407.061 4.556 0 40 HJAB CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)cc(CC)c2cc1Cl 2220224 AUZSKIODAIURAP-OAHLLOKOSA-N 423.893 4.608 0 40 HJAB Cc1cc(C)cc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)c1 2253175 CWEOCBXKQCSWMI-UHFFFAOYSA-N 402.498 4.976 0 40 HJAB O=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)Nc1ccc(F)c(Cl)c1 2645999 DPRWPVOOCKGMCG-UHFFFAOYSA-N 415.726 4.622 0 40 HJAB Fc1cccc(Cl)c1[C@@H]1C[C@@H](c2cccc(Br)c2)Nc2ncnn21 2918462 IPVFGCSRHWTELF-GJZGRUSLSA-N 407.674 4.979 0 40 HJAB O=C(CSc1nc(Nc2ccc(F)cc2)c2ccccc2n1)NCc1ccccc1 2948834 IFCXXJRCUQKZPQ-UHFFFAOYSA-N 418.497 4.921 0 40 HJAB O=c1c2ccccc2nc(SCc2cccc(F)c2)n1Cc1ccc2c(c1)OCO2 2970023 QTKLGUJBTAGNTL-UHFFFAOYSA-N 420.465 4.605 0 40 HJAB CCOc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCC 3239192 GXNKPAZENRNLPH-UHFFFAOYSA-N 412.269 4.586 0 40 HJAB CC(C)(C)c1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1 3364641 IUOIIESFBLYJOX-UHFFFAOYSA-N 405.527 4.966 0 40 HJAB COc1ccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2ccccc2OC)cc1 3401952 MKLGKXLLEOYCIM-GOSISDBHSA-N 411.527 4.613 0 40 HJAB COc1ccc(OC)c(NC(=O)CSc2ccc(-c3ccc(Cl)cc3)nn2)c1 4355523 MBTRLMOGKSRAFO-UHFFFAOYSA-N 415.902 4.545 0 40 HJAB CC(C)CCSc1nc2c(c(=O)n1-c1ccc(OC(F)(F)F)cc1)SCC2 4358885 GIOIGEVTGLYFKQ-UHFFFAOYSA-N 416.490 4.918 0 40 HJAB Clc1ccc2c(c1)C1=C([C@H](c3ccccc3)O2)[C@@H](c2cccnc2)N2NC=NC2=N1 5516449 BCWVHXCPRQTUQB-YADHBBJMSA-N 413.868 4.539 0 40 HJAB Clc1ccc(-c2nnc3n2N=C(c2ccccc2Br)CS3)cc1 5531881 KRBOZHAEXVDYTB-UHFFFAOYSA-N 405.708 4.719 0 40 HJAB Cc1cccn2cc(CSc3nnc(-c4cccnc4)n3Cc3ccccc3)nc12 5982325 XSLPGMAJPLAIFH-UHFFFAOYSA-N 412.522 4.637 0 40 HJAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(F)(F)F)c1 6582227 BUNOXCJLDPZECO-UHFFFAOYSA-N 410.395 4.701 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)c3cccc(OCc4ccccc4)c3)n2)c1 7668676 GSKJYXUFZBSXCC-UHFFFAOYSA-N 413.477 4.896 0 40 HJAB CC(C)COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)N3CCCC3)no2)cc1 7996984 JTXIEBOHCAIZAN-OAQYLSRUSA-N 423.513 4.536 0 40 HJAB COc1ccccc1OCCSc1nc2ccccc2c(=O)n1-c1ccccc1 8169382 NVOLHIVZFUSJRE-UHFFFAOYSA-N 404.491 4.565 0 40 HJAB C[C@H]1c2cccc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)c2O[C@@H]1C 8312284 SDXXGNSWZADFCS-HZPDHXFCSA-N 402.498 4.808 0 40 HJAB CN(C)[C@H](CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1 8313455 RRQULPYESXRJRM-RUZDIDTESA-N 424.548 4.631 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 8768895 KJVBOGHMQNLSIH-MDZDMXLPSA-N 402.416 4.596 0 40 HJAB Cc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)NCCc1ccccc1 8847812 DJNIZWZRNWOUOH-UHFFFAOYSA-N 414.918 4.721 0 40 HJAB COc1ccc(CNC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1 8916180 YJCMQJWUZIASLS-UHFFFAOYSA-N 417.893 4.500 0 40 HJAB O=C(/C=C/c1ccccc1)n1nc(NCc2cccs2)nc1NCc1cccs1 9933348 FSOZGZLTNVVFBJ-ZHACJKMWSA-N 421.551 4.979 0 40 HJAB Cn1c(SCC(=O)c2ccc[nH]2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 9944390 POVGULAUEAUBRL-AWEZNQCLSA-N 414.600 4.998 0 40 HJAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 10357344 UUOSSCIKIDOHDS-UHFFFAOYSA-N 408.523 4.676 0 40 HJAB Cc1cccc2sc(NC(=O)c3cc(=O)c(OCc4ccc(F)cc4)co3)nc12 11856872 YTHRXXWLIFMHGV-UHFFFAOYSA-N 410.426 4.528 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)cc1 12137804 WCIPYQXWZXVURO-UHFFFAOYSA-N 424.522 4.553 0 40 HJAB O=C(Nc1nc(CSCc2ccc(F)cc2)cs1)c1ccc2c(c1)OCO2 12230212 DJYZPLZTHJYASY-UHFFFAOYSA-N 402.472 4.697 0 40 HJAB O=C1N(C2CCCC2)C(c2ccccc2)=N[C@]1(Nc1cc(Cl)ccn1)C(F)(F)F 12376082 MZFVDSOMUMCGPO-IBGZPJMESA-N 422.838 4.637 0 40 HJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCc2ccccc2C1 12585882 WLPQOMWWFSVMMW-UHFFFAOYSA-N 420.534 4.589 0 40 HJAB CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2cccc(C)c2)CC1=O 14095560 PERAYRGBEPCVCU-HXUWFJFHSA-N 405.542 4.930 0 40 HJAB COc1ccccc1Cn1ccnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 15825629 ZMUSUCKQUREGKG-UHFFFAOYSA-N 421.444 4.690 0 40 HJAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C4CCOCC4)C3)c(-c3cccnc3)c2c1 19220153 RDBUHWXFTDUEST-HXUWFJFHSA-N 403.526 4.671 0 40 HJAB CNc1cc(C(=O)N2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)ccn1 19690376 CXNVSYYJXKHHJX-FQEVSTJZSA-N 420.944 4.782 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 20460057 GENSBTZKYIDIBQ-HNNXBMFYSA-N 400.906 4.611 0 40 HJAB COc1cc2c(cc1OC)C(=O)N(C)[C@H](c1ccc(-c3nc4ccccc4s3)o1)N2 30541073 OOUFPAZOCSMANQ-HXUWFJFHSA-N 421.478 4.770 0 40 HJAB Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)c1ccccc1Br 32609831 LWJADOAGKTYDDB-UHFFFAOYSA-N 418.266 4.690 0 40 HJAB O=C(NCCCn1cnc2ccccc21)N[C@H](c1ccc(F)cc1)c1cccs1 32794892 WSGYCHUYALZGEU-OAQYLSRUSA-N 408.502 4.716 0 40 HJAB C[C@H](NC(=O)c1ccccc1COc1ccccc1)C(=O)Nc1ccc(Cl)cc1 32926441 UMUHQTJAYWFSIX-INIZCTEOSA-N 408.885 4.676 0 40 HJAB O=C(Nc1ccccc1Cl)C1CCN(Cc2ccc(Br)cc2)CC1 38833778 JMAYEPQMYHWSCT-UHFFFAOYSA-N 407.739 4.953 0 40 HJAB Cc1ccc(CN2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccc(C)cc43)CC2)cc1 44855225 AOPDXRLFFAOOBM-HSZRJFAPSA-N 406.570 4.934 0 40 HJAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1C 48364157 XNPXYHYRSZPTOK-QGZVFWFLSA-N 407.297 4.554 0 40 HJAB CCN(Cc1ccccc1)C(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487280 YHKPHSOQJCFGAJ-UHFFFAOYSA-N 420.900 4.907 0 40 HJAB COc1ccc(-c2csc(CNC(=O)c3ccc(Br)cc3)n2)cc1 72264942 AVOAZFQIBVSANK-UHFFFAOYSA-N 403.301 4.511 0 40 HJAB CN(CCCC(=O)N1CCC[C@H]1c1n[nH]cc1-c1ccc(F)cc1)c1ccccc1 72380412 NHVNIOMNRXSLFN-QFIPXVFZSA-N 406.505 4.796 0 40 HJAB COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCC3)cc1 96344596 CSOSKRIPFQNSPI-QHCPKHFHSA-N 420.553 4.520 0 40 HJAB Brc1cccc(CN2CCN(Cc3cccc(Br)c3)CC2)c1 96769458 KYUSTKYOXPSKCA-UHFFFAOYSA-N 424.180 4.529 0 40 HJAB Cn1cnnc1-c1ccc(NCc2cn(-c3ccccc3Cl)nc2C(C)(C)C)nc1 97162792 JGTDEVLPWDPOBC-UHFFFAOYSA-N 421.936 4.626 0 40 HJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4Cl)[C@H]3C2=O)c1 101087353 GLTQFBFWISJYOZ-VSKRKVRLSA-N 418.880 4.700 0 40 HJAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 103263134 KTFRQUMDOWLBCX-SZMVWBNQSA-N 408.498 4.721 0 40 HJAB Cc1ccccc1C(=O)NCc1nnc(SCc2ccc(Cl)cc2Cl)n1C 107886889 YVDALEQRMZULCU-UHFFFAOYSA-N 421.353 4.653 0 40 HJAB CCCCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 113563801 NODBODXTISENMI-GOSISDBHSA-N 416.930 4.893 0 40 HJAB COc1ccc(Br)c(C(=O)N2CCS[C@H](c3ccccc3F)CC2)c1 219078602 LMKYJFSDSWYZBO-SFHVURJKSA-N 424.335 4.917 0 40 HJAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219350883 UOYVBJKKOKDOPV-KRWDZBQOSA-N 421.893 4.626 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 222497593 BOLBPSTXOYYDEB-RDPSFJRHSA-N 424.585 4.577 0 40 HJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccccc3OC)N21 222683877 IJIZHLNZZIEXKY-KNXBSLHKSA-N 404.539 4.860 0 40 HJAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 222757756 WHHXWKPWZAWQMN-QZTJIDSGSA-N 414.328 4.706 0 40 HJAB COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 222857329 KRUWPAASGAITQU-NHCUHLMSSA-N 421.522 4.509 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2nccs2)c1C 222953291 ACFUEOUUYFHHJZ-RBUKOAKNSA-N 411.600 4.718 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 222982890 BIOWIDHXWLHJPV-SFTDATJTSA-N 421.522 4.812 0 40 HJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 223237352 KIDDHNDUWWBUMT-IBGZPJMESA-N 420.553 4.988 0 40 HJAB CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 223472358 CBKYKOJGTMIYTD-QHCPKHFHSA-N 424.903 4.885 0 40 HJAB CCCOc1ccccc1CCCNC(=S)Nc1cccc(N2CCCC2=O)c1 225626388 LQZJEEILVKOZBD-UHFFFAOYSA-N 411.571 4.521 0 40 HJAB C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 245237697 RKFDHFPSUFILLM-JTSKRJEESA-N 406.526 4.501 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(OC)cc3)N21 260780920 RWFVPQPMKPUOHC-HVETUWLQSA-N 404.539 4.860 0 40 HJAB COc1cccc(CNC(=S)c2cccc(OC)c2OCc2ccc(F)cc2)c1 408573262 JMJXHTSEALDILV-UHFFFAOYSA-N 411.498 4.887 0 40 HJAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1NC(=O)c1ccc(Cl)cc1 408611224 VMEMBCLHFNBFHQ-UHFFFAOYSA-N 406.935 4.512 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)c1 408673207 QEVSTNOHJKPSRG-KNXBSLHKSA-N 418.537 4.989 0 40 HJAB O=C(Cn1ccc(=O)c2cc(Oc3ccccc3)ccc21)N1CCC[C@H]2CCCC[C@H]21 583232071 TXEGLOZSFIFUPW-AUSIDOKSSA-N 416.521 4.975 0 40 HJAB COC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2ccc(C)cc2)c1C 871971 SRAARGIPZIUSCJ-UHFFFAOYSA-N 414.508 4.718 0 40 HJAB CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1cccc(OC)c1 951945 YPLRRDLUXCTZJN-UHFFFAOYSA-N 401.260 4.926 0 40 HJAB CCc1nc(SCC(=O)Nc2ccc(N(C)C)cc2)c2c(C)c(C)sc2n1 1372173 GDYJQWQGBMMBMB-UHFFFAOYSA-N 400.573 4.667 0 40 HJAB COc1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccccc2OC)cc1 2153855 GRPDIUHLLNROLW-NNWMLCPFSA-N 421.537 4.612 0 40 HJAB CCC(CC)COC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 2356355 CVZCBAUFTKFGDE-UHFFFAOYSA-N 420.488 4.947 0 40 HJAB COc1ccc(NC(=O)COc2ccc(Cl)cc2Cc2ccccc2)cc1OC 2629985 LYVBDYFUCAXWTF-UHFFFAOYSA-N 411.885 4.966 0 40 HJAB Cc1ccc2c(c1)C1=C([C@H](c3cccs3)O2)[C@@H](c2ccc(F)cc2)N2NC=NC2=N1 2707230 LMVQSYZTBOVYKZ-YADHBBJMSA-N 416.481 5.000 0 40 HJAB CC(C)Cn1c(SCC(=O)N(c2ccccc2)C(C)C)nc2ccccc2c1=O 3236891 FNGSIULVSOQAGJ-UHFFFAOYSA-N 409.555 4.586 0 40 HJAB O=C(COc1ncnc2ccccc12)Nc1ccc(Cl)cc1C(=O)c1ccccc1 3268922 YTEMYAQPJJDIKM-UHFFFAOYSA-N 417.852 4.532 0 40 HJAB CN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C1CCCCC1 3402388 PZNLUBIDADZITK-UHFFFAOYSA-N 400.592 4.663 0 40 HJAB C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N[C@H]1CCCc2ccccc21 3457682 PJRIJCMZGCGMOG-KSSFIOAISA-N 410.568 4.956 0 40 HJAB CCOC(=O)[C@]1(C)C=C(Nc2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1 3672170 UJECVBORRUKVBJ-FQEVSTJZSA-N 405.281 4.658 0 40 HJAB CC(C)(C)N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CC1=O 4386042 YTFMORJSUYRWDM-MRXNPFEDSA-N 411.933 4.883 0 40 HJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21 4674040 FQJYUDLGAUVCPG-UHFFFAOYSA-N 407.495 4.574 0 40 HJAB CCCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(OC)cc1 4816701 JWDFMWRRUKCZLV-UXHICEINSA-N 410.905 4.808 0 40 HJAB O=c1c2ccccc2nc(CSc2nccn2-c2ccccc2)n1-c1ccccc1 5387644 GRLICBWXDORXDL-UHFFFAOYSA-N 410.502 4.864 0 40 HJAB Cc1cccc(NC(=O)N(CCc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)c1 5626103 CNOXTJCWSVVKNK-UHFFFAOYSA-N 412.493 4.508 0 40 HJAB O=C(NCCSc1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2 6085868 LATGLYDHHAKEEO-UHFFFAOYSA-N 409.393 4.809 0 40 HJAB Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2[S@](=O)c2ccc(Cl)cc2)cc1 6183539 XTPZVMWYKOLMQQ-SANMLTNESA-N 419.955 4.660 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2Cl)cc1C 6707046 UNROTEIVWQMALK-UHFFFAOYSA-N 408.951 4.534 0 40 HJAB COc1ccc([C@@H](NC(=O)CSc2nc3cc(C)ccc3[nH]2)c2ccccc2)cc1 6972221 XOYKIOLUUBCNMX-QHCPKHFHSA-N 417.534 4.878 0 40 HJAB CCn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1cc(Cl)ccc1OC 7605240 XTOIMSLUVONZQO-UHFFFAOYSA-N 403.891 4.618 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 8810359 FWZONDDXJVQFCG-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Cc1cccc2cc(CN(Cc3cccs3)C(=S)NCc3ccco3)c(=O)[nH]c12 8829231 ZMBYYZWZITVFLS-UHFFFAOYSA-N 423.563 4.568 0 40 HJAB COc1cccc(C(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)c1 8959970 ZMBUZBMOGPTSBC-UHFFFAOYSA-N 410.514 4.745 0 40 HJAB COc1ccccc1C(=O)NCCC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 9052288 CANQETWQPGTAMP-UHFFFAOYSA-N 404.466 4.555 0 40 HJAB Cc1oc2cc(OCC(=O)N3CCCCC3)ccc2c(=O)c1-c1ccc(Cl)cc1 9575669 QBMVNJHHYJDBCB-UHFFFAOYSA-N 411.885 4.813 0 40 HJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N[C@H](c1ccc(F)cc1)c1cccs1 9619742 GLSHSDZLWUNBMW-LJQANCHMSA-N 424.526 4.670 0 40 HJAB O=c1[nH]c(CSc2nncn2-c2ccccc2)nc2scc(-c3ccccc3)c12 9635501 WTWXAYBRZBSUJI-UHFFFAOYSA-N 417.519 4.525 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nc3nc(C)cc(C)n3n2)c2ccccc2)c1 9746468 SNVRFYHXGBYASO-FQEVSTJZSA-N 417.538 4.830 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)c1 9883336 GKXJPYMLLIRTFT-GFCCVEGCSA-N 419.428 4.971 0 40 HJAB COc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)ccc1N1CCCC1=O 11257706 OBKRTTPLYZITSB-UHFFFAOYSA-N 414.461 4.698 0 40 HJAB Cc1ccc(-c2ccccc2CC2(C(=O)N[C@H]3CCCOC3)CCOCC2)c(C)c1 12231639 GFHBKDDEPURPAJ-QFIPXVFZSA-N 407.554 4.605 0 40 HJAB COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 12850841 JPGANUKNEKJUMU-KRWDZBQOSA-N 403.478 4.821 0 40 HJAB CC[C@H](CO)Nc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CCC3 13228282 SQXLCCMAPPTYKG-LLVKDONJSA-N 402.589 4.756 0 40 HJAB CC(C)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 14909600 KDNSMNFAUYBRFY-UHFFFAOYSA-N 406.935 4.500 0 40 HJAB Cc1ncc(-c2nc(NC(C)C)cc([C@H]3CCCN(C(=O)CC(C)(C)C)C3)n2)s1 19287360 OWGKVTSSKFNMGZ-INIZCTEOSA-N 415.607 4.871 0 40 HJAB Cn1ccnc1-c1nc(N[C@@H]2CCOc3ccccc32)ncc1-c1ccccc1F 19291619 ISGPYTAORHBARS-LJQANCHMSA-N 401.445 4.619 0 40 HJAB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)N1CCC[C@@H]2CCCC[C@H]21 19354849 BIHLQEJWPWIFQH-XJKSGUPXSA-N 409.477 4.922 0 40 HJAB O=C(CN1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)Nc1ccccc1F 19688229 IBLOZMFRZKLOKH-FQEVSTJZSA-N 421.491 4.769 0 40 HJAB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1)c1ccccc1 20481637 NUXIFTCJNRVYRF-NRFANRHFSA-N 422.550 4.985 0 40 HJAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NCc1ccc(C(=O)O)cc1 20734744 HYBNKTIXWZOCPM-UHFFFAOYSA-N 421.305 4.674 0 40 HJAB O=C(Cn1c(SC(F)F)nc2ccccc21)Nc1ccccc1N1CCCC1 22987627 GPUIZRQMVCKJHW-UHFFFAOYSA-N 402.470 4.590 0 40 HJAB c1ccc(-c2nnc(-c3nnc(SCc4cc(-c5cccs5)on4)o3)o2)cc1 32922488 HKGHBNFLJLRRKP-UHFFFAOYSA-N 409.452 4.795 0 40 HJAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 36020313 XHRLTYUHWGHDCJ-WZAAVQHPSA-N 404.591 4.775 0 40 HJAB in-vitro CSc1cccc(N2C[C@@H](C(=O)Nc3nc4ccc(Cl)cc4s3)CC2=O)c1 40159761 YJRQBRHHKOAUBU-NSHDSACASA-N 417.943 4.663 0 40 HJAB CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(C(=O)c2cccs2)CC1 43388929 HCDBNTXEGUHIAX-UHFFFAOYSA-N 405.951 4.516 0 40 HJAB COc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 46078573 RZYGLFHONFNCJW-UHFFFAOYSA-N 400.478 4.849 0 40 HJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1 57316110 YAHROMSIVKWATH-CQSZACIVSA-N 421.526 4.692 0 40 HJAB C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 58413379 JRTKFYVZDUTRQE-JTQLQIEISA-N 418.437 4.836 0 40 HJAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3cnc(-c4ccccc4)nc3)cc2)n1 58419155 QYDODGHLNVRMLQ-UHFFFAOYSA-N 413.506 4.954 0 40 HJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCNC(=O)OCc1ccccc1 71844204 YKWMEDUVWNNPKE-DHIUTWEWSA-N 408.542 4.878 0 40 HJAB C[C@@H](NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)c1ccncc1 72252873 NFPKKWCOBTZYSV-MRXNPFEDSA-N 420.900 4.541 0 40 HJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(OC)c(OCC)c2)cc1 72329025 YZPIXUAEJVSARY-UHFFFAOYSA-N 423.513 4.593 0 40 HJAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cc(C)no4)C3)c(-c3ccncc3)c2c1 72396807 JVQIDCVUOBAUFJ-SFHVURJKSA-N 400.482 4.855 0 40 HJAB COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@H](c1ccsc1)CC(=O)O2 96116137 XPVCUKONZALYME-HNNXBMFYSA-N 404.443 4.971 0 40 HJAB biogenic O=C(CSC1=N[C@H]2Nc3ccccc3[C@@H]2N=N1)c1ccc(Br)cc1 96191569 IAFNBRWCIVSKTH-JKSUJKDBSA-N 401.289 4.680 0 40 HJAB CCOc1cc(/C=C2/N=C(c3ccccc3OC(F)F)OC2=O)cc(Cl)c1OC 97987616 OYMCSEVRNNLVHJ-NTEUORMPSA-N 423.799 4.693 0 40 HJAB Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1=O 101028598 TXMYRMUHOJDGJQ-BDTNDASRSA-N 418.880 4.700 0 40 HJAB CC[C@]1(C(=O)c2ccccc2)[C@H]2c3ccccc3OC(=O)[C@]21C(=O)Nc1ccccc1 103303625 OEJZGHBJYQRMAI-LPPUWEFUSA-N 411.457 4.607 0 40 HJAB O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1Cc1ccccc1F 214379510 KGOHCTIPFXKGEX-OVCLIPMQSA-N 410.239 4.964 0 40 HJAB Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1 216436514 OJCYDYUIYHRNBQ-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB C[C@H]1Cc2cc(Br)cc3c(=O)c(C(=O)Nc4ccc(Cl)cc4)cn1c23 223104257 HPRGMJXAVWKAES-JTQLQIEISA-N 417.690 4.787 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1Cc1ccccn1 223530677 ORHNJIUANOVOCI-FCHUYYIVSA-N 403.555 4.566 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 224051342 QPFWKPNFVVJYGL-OAHLLOKOSA-N 421.368 4.868 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 224219029 KZFSHPJZQPJGTJ-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224625644 BEPXHTQWZCVESU-DEOSSOPVSA-N 408.586 4.729 0 40 HJAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NCC(C)C)cc1 224967490 OOCWYVIYCXXMLW-RUZDIDTESA-N 422.613 4.804 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 225154162 IOUDODSCSAIHFI-RBUKOAKNSA-N 414.977 4.913 0 40 HJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225688972 XEQZWZBCQYAAAV-YOSAUDMPSA-N 404.595 4.823 0 40 HJAB CNC(=O)c1cc([C@H]2CC[C@H](CNC(=O)CC3CCCC3)CC2)nc2ccccc12 257254240 KCHPJPDHXUGUKN-WGSAOQKQSA-N 407.558 4.565 0 40 HJAB COCc1ccc(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3C)CC2)cc1 257268585 MMHXZUAWPGWVEW-KESTWPANSA-N 418.541 4.630 0 40 HJAB CC(=O)Nc1ccc(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn23)cc1 408679978 XIPDUYFCDZKURV-UHFFFAOYSA-N 411.461 4.695 0 40 HJAB O=C(COC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1)c1ccccc1 408696559 CGAJLCHZPZVXQH-UHFFFAOYSA-N 417.852 4.627 0 40 HJAB CCc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 409026807 YUSCRNTUKVGXBC-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)cc1 409175757 BXNMLGKOCBINPX-GZTJUZNOSA-N 400.887 4.577 0 40 HJAB O=C(C1CC1)N1CCC2(CCCCc3ccccc3OCCN(CC3CC3)C2)CC1 643570627 LGPIAPNPJAFURK-UHFFFAOYSA-N 410.602 4.523 0 40 HJAB Cn1nc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)cc1Cl 1640582967 OTJAWYZILLDTAF-UHFFFAOYSA-N 410.330 4.525 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1nc(-c2ccccc2Cl)no1 1389907 CMOXWDDZGQJGKH-INIZCTEOSA-N 424.309 4.569 0 40 HJAB CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc12 2386795 VTUYTMHCESDPON-CYBMUJFWSA-N 407.905 4.646 0 40 HJAB Cc1cc(F)ccc1S(=O)(=O)Nc1ncnc2scc(-c3ccc(F)cc3)c12 2641815 GCNVQLDKNULWPR-UHFFFAOYSA-N 417.462 4.746 0 40 HJAB Cc1cccc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)CSC3)c1C 3008371 MWRYCMRPYXLKCR-UHFFFAOYSA-N 417.490 4.595 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2ccc3c(c2)OCO3)c2ccccc2)c1 3240367 DPMGVAROIWHFHI-QFIPXVFZSA-N 403.434 4.569 0 40 HJAB COc1ccc(CCn2c(=S)[nH]c3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 3886689 HHRDLHJFYAYKQB-GFCCVEGCSA-N 416.568 4.505 0 40 HJAB CCCCCOc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 4200612 FKPLULRCLVIODN-UHFFFAOYSA-N 418.540 4.521 0 40 HJAB COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CCCCC2)cc1 4240698 LCDLOVVTFOGANY-HSZRJFAPSA-N 424.541 4.863 0 40 HJAB Cc1cc(C)cc(C(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)c1 4374675 YMJHLDCFKWTBIC-UHFFFAOYSA-N 410.930 4.701 0 40 HJAB CCCCc1nc(NCc2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2n1 4966722 PWMZIDCHILTKET-UHFFFAOYSA-N 406.921 4.878 0 40 HJAB Cc1ccc(OC[C@H](O)Cn2c(COc3cccc(C)c3)nc3ccccc32)cc1 5588807 HVKAYTICWFUEKN-HXUWFJFHSA-N 402.494 4.672 0 40 HJAB COc1cccc(/C=C(/C(=O)OCC(=O)N(C)C2CCCCC2)c2ccccc2)c1 6052838 OFPKPFQPLRFLOV-HAVVHWLPSA-N 407.510 4.570 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2ccccc2)c1C 6599498 WOVKDRVHCPOZCH-UHFFFAOYSA-N 408.479 4.738 0 40 HJAB COc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 6719824 RXRUEKGTMXUFRY-VWLOTQADSA-N 400.478 4.583 0 40 HJAB O=C(CSc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 6883698 OIVBCHGJDPRVPA-UHFFFAOYSA-N 412.877 4.944 0 40 HJAB COc1ccc(CCN(C)[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1OC 7390282 NQBXURLLUYOYQZ-IBGZPJMESA-N 418.537 4.872 0 40 HJAB CCOCCCn1c(S[C@H](C)C(=O)c2cc(C)ccc2C)nc2ccccc2c1=O 8283434 XKCKEQKGJISOIJ-GOSISDBHSA-N 424.566 4.803 0 40 HJAB FC(F)(F)c1cc(-n2nnc3c(-c4ccncc4)nccc32)cc(C(F)(F)F)c1 8762457 WGRFRVYWPFFBML-UHFFFAOYSA-N 409.293 4.915 0 40 HJAB CCOc1ccc(-n2c(C)c(C(=O)OCCOC)c3cc(O)c4ccccc4c32)cc1 8783006 GRDFTFFZGHDYAC-UHFFFAOYSA-N 419.477 5.000 0 40 HJAB biogenic,in-vitro Cc1ccc(NC(=O)Cc2nc(CSc3nncn3-c3ccccc3)cs2)cc1 9471064 ZYXNKTXZGXFQSK-UHFFFAOYSA-N 421.551 4.506 0 40 HJAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 9562183 WMGWOZLJDWXWMW-UHFFFAOYSA-N 421.880 4.983 0 40 HJAB COc1cc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc(OC)c1OC 10120165 AQODZLSAGHYVNS-UHFFFAOYSA-N 422.412 4.912 0 40 HJAB COc1ccc2nc(-c3ccc(F)c(NC(=O)c4c(F)cccc4Cl)c3)cn2n1 11693530 YUSPMRLNMGLYJR-UHFFFAOYSA-N 414.799 4.589 0 40 HJAB COc1ccc(S(=O)(=O)Oc2ccc3oc(=O)c(-c4ccccc4)c(C)c3c2)cc1 11866233 SEZOPJYUBBCIKK-UHFFFAOYSA-N 422.458 4.545 0 40 HJAB biogenic CCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)CC2CCCC2)s1 12442962 BAXYRKRLDPQRHW-UHFFFAOYSA-N 403.573 4.557 0 40 HJAB COc1cccc(-n2ccnc2S[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1 12520099 GJONLSUCYIHBIO-FQEVSTJZSA-N 420.494 4.649 0 40 HJAB COc1ccc(CCNC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1 12568394 IVRWCNFOHCVDNP-UHFFFAOYSA-N 414.509 4.660 0 40 HJAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@H]1CCSc2c(F)cccc21 12622167 ORIKFNSTGJRJRH-HNNXBMFYSA-N 424.526 4.652 0 40 HJAB CN1CCN(C(=O)c2ccc(CSc3ccccc3)o2)c2nc3ccccc3nc21 12929296 IPQHQYFYNFTHBM-UHFFFAOYSA-N 416.506 4.612 0 40 HJAB COc1ccc(CCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 13934147 VFQPJWBYXDVFHM-UHFFFAOYSA-N 418.868 4.905 0 40 HJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2c(C)cccc2C)CC1=O 14095529 JEKAYNLGBRLTOX-FQEVSTJZSA-N 405.542 4.848 0 40 HJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2cccc(C)c2)CC1=O 14095559 PERAYRGBEPCVCU-FQEVSTJZSA-N 405.542 4.930 0 40 HJAB CSc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1NC(C)=O 14102912 HXQXPQODYAKZHO-UHFFFAOYSA-N 411.552 4.980 0 40 HJAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc(C)c1 14126526 ATFYYSMLZCMDFG-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc(Cl)cc1 15279476 NTOLGNHOJFNFTP-UHFFFAOYSA-N 417.852 4.627 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 17088783 QWAQYPGQLGNARW-WVGQAWGZSA-N 411.310 4.802 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1Cl 17091285 RXULOPDLIXLSQZ-AWEZNQCLSA-N 417.962 4.854 0 40 HJAB CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)[C@H]1c1ccc(OC)cc1 19165555 BFXBNYSUNSMMGG-ISKFKSNPSA-N 422.525 4.616 0 40 HJAB Cc1ccc(CC(=O)N2CCC(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)cc1 19209365 ASUHKAYOHOKAQA-UHFFFAOYSA-N 414.553 4.919 0 40 HJAB Cc1ccc(NC(=S)Nn2c(-c3ccc(C)cc3)nc3ccccc3c2=O)cc1 19897563 VMDZKLSUWZCOMJ-UHFFFAOYSA-N 400.507 4.621 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 20460056 GENSBTZKYIDIBQ-OAHLLOKOSA-N 400.906 4.611 0 40 HJAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(I)cc1 20494754 KPXPPJWBRIJUSL-ZDUSSCGKSA-N 409.267 4.821 0 40 HJAB Cc1ccc(C(=O)C2CCN(C(=O)c3cc(F)ccc3Br)CC2)c(C)c1 24453871 PDOMNSAJXNHORB-UHFFFAOYSA-N 418.306 4.940 0 40 HJAB Cc1ccccc1-c1nc2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2n1 26533639 MWXJSNYDZXSXLI-XDHOZWIPSA-N 419.893 4.588 0 40 HJAB Cc1csc(=O)n1CCCC(=O)Nc1nc(-c2ccc(F)cc2Cl)cs1 29768862 DLDJHBYYJIESTF-UHFFFAOYSA-N 411.911 4.553 0 40 HJAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1N1CCc2ccccc21 31532577 DDMSWPKKPABYLJ-UHFFFAOYSA-N 413.477 4.708 0 40 HJAB O=C(NCc1ccc(Cl)cc1)c1ccccc1OCc1nc(-c2ccccc2)no1 32578819 IRTVXTHYXVUBJB-UHFFFAOYSA-N 419.868 4.899 0 40 HJAB Cc1cccc(N2CCN(C(=O)CCn3c(C)cc(-c4csc(C)n4)c3C)CC2)c1 32906411 CUCMLOPGPZPQQS-UHFFFAOYSA-N 422.598 4.584 0 40 HJAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(CN2C(=O)CSC2=O)c1 32909294 QKCLRHOHEVRHMO-UHFFFAOYSA-N 414.486 4.706 0 40 HJAB C[C@@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc2c(c1)CC(=O)N2 46207140 KHVSKFTXCWGLRG-GFCCVEGCSA-N 414.383 4.951 0 40 HJAB CCc1cc(CN2CCN(c3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 54350333 UOVPGXZXADRIML-UHFFFAOYSA-N 405.567 4.885 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)c(C)c1 57426233 IKNLWUOVPCRSNX-UHFFFAOYSA-N 415.584 4.770 0 40 HJAB Cc1ccc(CNC(=O)c2cccc(CNCc3ccc(OC(F)F)cc3)c2)cc1 60979148 HHSOOCHVYCAJCA-UHFFFAOYSA-N 410.464 4.816 0 40 HJAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C)s2)C12CCCCC2 71282880 ZPVUNEROJIYEOK-KSSFIOAISA-N 412.559 4.526 0 40 HJAB CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72214494 KZAIZDXKWFDGJY-LJQANCHMSA-N 411.502 4.927 0 40 HJAB COc1ccc2c(c1)N[C@]1(COC3(CCN(Cc4ccccc4)CC3)C1)c1cccn1-2 72327200 XMVCQKULBDXKHK-AREMUKBSSA-N 415.537 4.562 0 40 HJAB O=[S@](Cc1cccc(C(F)(F)F)c1)Cc1cc(Cl)c2c(c1)OCCCO2 84364558 AFUGHAIPVYKGFZ-SANMLTNESA-N 404.837 4.969 0 40 HJAB CC(C)(c1ccccc1)[C@H](OC(=O)c1ccc(N2CCOC2=O)cc1)C(F)(F)F 95983374 QFNAHRHDZLMRFV-SFHVURJKSA-N 407.388 4.709 0 40 HJAB O=C(c1ccsc1)N1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 96038206 PMRURFVRWKCCQG-UHFFFAOYSA-N 406.486 4.617 0 40 HJAB COc1ccccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c21 96115121 XJVIUGDRYMLYCD-MRXNPFEDSA-N 414.413 4.615 0 40 HJAB biogenic CCNC(=O)c1ccc(NC(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)cc1 97164647 COXHPJIBVKBOMJ-DEOSSOPVSA-N 413.521 4.810 0 40 HJAB Cc1nc(C)c(CC(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)s1 100156304 PVGMLRQTVGHYMD-GASCZTMLSA-N 416.572 4.504 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc(F)cc1 102726105 YYRMEMFAUXXGHP-HKBOAZHASA-N 422.843 4.530 0 40 HJAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCSc1ccc(Cl)cc1 222485628 DNQYCVCPYHSQFE-KRWDZBQOSA-N 418.990 4.684 0 40 HJAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 223962456 USERKWVDGATFPG-FCHUYYIVSA-N 419.554 4.600 0 40 HJAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccccc1C 224000166 RMVDUJDRWDIOKT-JOCHJYFZSA-N 422.550 4.985 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1c1ccccc1 224160385 ITZTXFDNNVSTLZ-YADHBBJMSA-N 400.507 4.702 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccccc1 224364445 PQBAEFSZKYEDLH-UHFFFAOYSA-N 405.450 4.688 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 224698040 DASIHOBQDQSLIC-OAQYLSRUSA-N 408.586 4.995 0 40 HJAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O 224858934 OJNANMURXFWONR-IAGOWNOFSA-N 401.944 4.988 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cccc2c1CCCC2 225232312 QDICWTLOAHLHFT-KKSFZXQISA-N 409.526 4.760 0 40 HJAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@H](CC)c3ccc(C)c(C)c3)ccc21 225733860 PIYDUELHDYDCHE-GOSISDBHSA-N 418.584 4.519 0 40 HJAB C[C@H](CN1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1 248137584 AMPDDSIZYOYEQN-KAGYGMCKSA-N 420.582 4.525 0 40 HJAB CNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)CC(C)(C)C)CC1 257217459 CZBBDVVTODXUHS-UHFFFAOYSA-N 412.599 4.749 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1NC(=O)c1ccccc1C 408558779 SZMRGZPLFZFUHR-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccccc2Cl)cc1 408677785 RNJVMPQQWLVJIS-UHFFFAOYSA-N 418.880 4.767 0 40 HJAB Cc1nc(S/C(=C\c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)C(=O)O)n[nH]1 409189870 JQSARTZYXQRSNA-JAIQZWGSSA-N 422.485 4.781 0 40 HJAB O=C(c1cnn2c(-c3ccccc3)ccnc12)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 561133495 QRCWZSXPSHZBBE-BKULYWANSA-N 408.505 4.805 0 40 HJAB C[C@@H](OC(=O)c1cnnn1-c1c(Cl)cccc1Cl)c1nc2ccccc2o1 1520008110 RFFTZDOWPMHTPJ-SNVBAGLBSA-N 403.225 4.633 0 40 HJAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)Nc1cc(Cl)cc(Cl)c1 1565524948 ZEXOODIAJQQFNP-UHFFFAOYSA-N 419.308 4.527 0 40 HJAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3n[nH]c4ccccc34)o2)c1 1848353972 VWUQBQDZZPJOLO-NRFANRHFSA-N 416.481 4.518 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1 1099009 LHPBOBZRONXKMS-UHFFFAOYSA-N 424.913 4.813 0 40 HJAB CCCC(=O)Nc1cc(OC)c(NC(=S)Nc2ccc(CC)cc2)cc1OC 1324314 SPNNLEIVAVHFJE-UHFFFAOYSA-N 401.532 4.814 0 40 HJAB Cc1ccc2cc(-c3nc4ccc(Cl)cn4c3NC[C@@H]3CCCO3)c(=O)[nH]c2c1C 1330176 LSMAYXHBPWLQOP-KRWDZBQOSA-N 422.916 4.704 0 40 HJAB Cc1ccc([C@@H](OC(=O)C2=Cc3ccccc3OC2)C(=O)NC2CCCCC2)cc1 1345107 DOZMJZAODMYEFH-HSZRJFAPSA-N 405.494 4.504 0 40 HJAB CCOc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1OCC 1422706 KHKPNYUJHIOLNT-UHFFFAOYSA-N 408.454 4.511 0 40 HJAB CSc1nc2sc3c(c2c2nnc(SCc4ccccc4F)n12)CCC3 2221118 MNZZXPYXFSJPDY-UHFFFAOYSA-N 402.545 4.981 0 40 HJAB CC(=O)c1ccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1 2253457 ASHGCDHPUGDBPO-UHFFFAOYSA-N 416.481 4.561 0 40 HJAB O=C(Nc1cccc2cccnc12)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 2311030 NVDKPKKBTXJWKB-CJLVFECKSA-N 411.436 4.784 0 40 HJAB COc1ccccc1[C@H](O)[P@@](=O)(OC1CCCCC1)c1ccc(N(C)C)cc1 2366146 DQRJBSVBSJPXDF-DFHRPNOPSA-N 403.459 4.705 0 40 HJAB CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1 2400368 YLLVRCGYKIUTNT-IBGZPJMESA-N 418.474 4.706 0 40 HJAB CCOc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3ccccc3c2=O)cc1 2687013 JGQUNZLEACWGHW-UHFFFAOYSA-N 401.437 4.819 0 40 HJAB COc1ccccc1C(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1F 2721356 VPDRFVNEJLZVCY-MRXNPFEDSA-N 403.457 4.723 0 40 HJAB COc1ccc(Nc2nnc(SCC(=O)c3ccc(OC(F)F)cc3)s2)cc1 3224240 OEUMQEDTAPRAKP-UHFFFAOYSA-N 423.466 4.867 0 40 HJAB O=C(/C=C/c1cccc(C(F)(F)F)c1)OCC(=O)c1ccccc1Br 3297070 NFKZTEXJKMKUOX-CMDGGOBGSA-N 413.189 4.907 0 40 HJAB COc1ccccc1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1ccco1 4231003 FGVVRKVHGDWOQX-UHFFFAOYSA-N 416.477 4.589 0 40 HJAB COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc(F)cc3)n2)c1 4496753 INCPSGXALCLKGO-UHFFFAOYSA-N 404.488 4.697 0 40 HJAB CC(C)c1ccc(Nc2nnc(S[C@@H](C)C(=O)NCc3ccco3)s2)cc1 4835682 PYRGXVVVHDREAZ-ZDUSSCGKSA-N 402.545 4.795 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccccc2C)nc2c(oc3ccccc32)c1=O 4852681 ISPZWTKHTWNSKL-UHFFFAOYSA-N 421.522 4.982 0 40 HJAB CC(C)(C)c1ccc(C(=O)N(c2ccc(Cl)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 5070581 HULCPZJLNPMHHJ-IBGZPJMESA-N 403.931 4.595 0 40 HJAB COc1ccc(-c2c(NC(=O)c3ccccc3)oc3ccccc3c2=O)cc1OC 5205290 HAZZZYSNYMEVJN-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1cccc(Cl)c1 6084134 GEXAAHSOLCBFSX-SNVBAGLBSA-N 402.661 4.596 0 40 HJAB O=C(Nc1ccc(I)cn1)c1cccc2c(Cl)cccc12 6269355 ALNYCZJCKVVJRG-UHFFFAOYSA-N 408.626 4.745 0 40 HJAB CSc1nc(SCC(=O)NC2CCCCC2)c2c3c(sc2n1)CCCC3 6470863 ZSGGAYAXJITINN-UHFFFAOYSA-N 407.630 4.833 0 40 HJAB CCOc1ccc(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)cc1 6609232 UPWTTZOMRZQXQQ-UHFFFAOYSA-N 400.482 4.686 0 40 HJAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2cccs2)n1CC)c1ccccc1 7085000 XGIGYVIQLAROCM-KRWDZBQOSA-N 400.573 4.728 0 40 HJAB Cc1cccc(N2CCN(C(=O)CCC(=O)c3ccc4ccccc4c3)CC2)c1C 7849617 KNKKPBIPZJTXJP-UHFFFAOYSA-N 400.522 4.768 0 40 HJAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)cc1 8657317 UQCUBRVAKLLNER-SFHVURJKSA-N 415.468 4.753 0 40 HJAB Cc1ccc(-c2nnc3sc(Cc4ccc(-c5ccccc5)cc4)nn3c2=O)cc1 8991025 JNLHWZRSOFSHCT-UHFFFAOYSA-N 410.502 4.779 0 40 HJAB CCc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(Cl)cc4)n3)c2C)cc1 9638235 GIPZZVLJAYQTHE-UHFFFAOYSA-N 424.917 4.562 0 40 HJAB Clc1ccc(OCc2nnc(SCc3cscn3)n2Cc2ccco2)cc1 9834260 BKUYMTORWGBKFC-UHFFFAOYSA-N 418.931 4.901 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)CCc3ccccc3)c2)cc1 10335162 GVWZKRFLJSDPMY-LJQANCHMSA-N 422.550 4.547 0 40 HJAB O=C(CSc1ccc(F)cc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 10867632 TWZJRKGDWBZONX-HNNXBMFYSA-N 402.516 4.740 0 40 HJAB CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc(OCc2ccccc2)c1 12628948 NERRDFXHHNCTDC-VWLOTQADSA-N 401.506 4.756 0 40 HJAB C[C@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)c1nnc(-c2ccccc2)o1 12788043 SRNPFAPURSGYIK-INIZCTEOSA-N 400.486 4.895 0 40 HJAB O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)N1CCCc2ccccc21 13524799 DYYDPDVAGXHCSO-UHFFFAOYSA-N 419.481 4.856 0 40 HJAB O=C1c2cc(Cl)ccc2N[C@@]2(C(=O)Nc3ccccc32)N1Cc1ccc(Cl)cc1 14077513 KUXJRDGOEIYQEY-JOCHJYFZSA-N 424.287 4.866 0 40 HJAB COc1cc(/C=C/C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)ccc1OC(F)F 14576851 AWNRRISNSXBELW-WEVVVXLNSA-N 417.408 4.990 0 40 HJAB Cc1ccc(-c2nc(C(=O)N[C@@H](c3ccccc3F)c3nccn3C)cs2)cc1 15497783 FGCKNAVNBGWXEQ-IBGZPJMESA-N 406.486 4.511 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 16960716 GKYLWPFIMRNUCA-UHFFFAOYSA-N 406.463 4.938 0 40 HJAB CC(C)C[C@@H]1[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2ON1c1ccccc1 18098954 VWOCTRMVELYDAU-ZLNRFVROSA-N 400.478 4.564 0 40 HJAB c1cc(CN[C@@H](Cc2ccsc2)c2nccs2)cc(OC[C@H]2CCCO2)c1 19330935 AHAJRUKAXIWTCL-UXHICEINSA-N 400.569 4.836 0 40 HJAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccccc2)C1 19529032 QWLITWQMQYYPAJ-RUZDIDTESA-N 418.562 4.626 0 40 HJAB O=C(c1ccc(Cl)cc1)c1cn(Cc2ccccc2)c2cc3c(cc2c1=O)OCO3 20285308 MRLWHOARKRHGRP-UHFFFAOYSA-N 417.848 4.663 0 40 HJAB CCn1cc(C(=O)Nc2ccc(OC)c(Cl)c2)c(=O)c2cc(C(F)(F)F)ccc21 22236851 WSPLIACWVYOJRC-UHFFFAOYSA-N 424.806 4.955 0 40 HJAB Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)s2)cc1Cl 22867075 JYRQYDKJYOQRRF-MRXNPFEDSA-N 411.914 4.760 0 40 HJAB CCc1cccc(CC)c1NC(=O)CN1CCN(Cc2csc3ccccc23)CC1 22930294 AZHIWAPAIMARES-UHFFFAOYSA-N 421.610 4.782 0 40 HJAB O=C1O[C@@H](C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)Cc2ccccc21 23121132 KBNCWWPLDFQNOL-LJQANCHMSA-N 400.459 4.684 0 40 HJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 24986600 LBCGGRACBSACHX-UHFFFAOYSA-N 410.543 4.520 0 40 HJAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1cccc2ccccc12 28959305 WZZAFQUDMHFJBC-KRWDZBQOSA-N 411.505 4.709 0 40 HJAB Cc1nc(NC(=O)COC(c2ccccc2)c2ccccc2)sc1-c1nccn1C 29582851 JYCGZSGDSXPUJL-UHFFFAOYSA-N 418.522 4.597 0 40 HJAB Cc1ccccc1-c1noc(-c2cccnc2N2CCN(c3ccccc3F)CC2)n1 33004310 NGRQNUINFZDTSN-UHFFFAOYSA-N 415.472 4.573 0 40 HJAB O=C1N=C(O)/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccco1 33768074 PTNIVBGHSWFDRI-XDHOZWIPSA-N 420.396 4.500 0 40 HJAB Cn1c(SCC(=O)c2cccc([C@H]3CC3(Cl)Cl)c2)nnc1-c1ccncc1 35670607 OLQOYEMBIGTKQN-OAHLLOKOSA-N 419.337 4.513 0 40 HJAB CCc1nc2c3cc(OC)c(OC)cc3nc(SCc3cc(C)cc(C)c3)n2n1 43804371 NSXYAIQAMMTTKX-UHFFFAOYSA-N 408.527 4.766 0 40 HJAB CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)cc1 44936086 YEPDFOQGCJUBHX-KNQAVFIVSA-N 400.950 4.828 0 40 HJAB O=C(NC1CC1)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 45679093 SDKTYWVLMLRKIZ-UHFFFAOYSA-N 422.488 4.684 0 40 HJAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CC1 57316843 ZPOVYWQIHHSTLN-UHFFFAOYSA-N 415.537 4.787 0 40 HJAB O=C(NCC1CCN(c2nc3ccccc3s2)CC1)Nc1ccccc1Cl 70931906 JJSQZLBBKIYGOU-UHFFFAOYSA-N 400.935 4.988 0 40 HJAB Cc1cc(CCCC(=O)N2CCC[C@H]2c2cccc(Nc3cnccn3)n2)ccc1F 72375808 FHSRMKWOYPWOEV-NRFANRHFSA-N 419.504 4.749 0 40 HJAB COc1ccc(-c2nc(C)sc2C(=O)Nc2nc(-c3ccncc3)cs2)cc1 72403554 ZPPVSXSNGJNHDR-UHFFFAOYSA-N 408.508 4.898 0 40 HJAB CCOc1cc(C)c(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc23)cc1C 72414348 KEXGQOZFFIOTJL-UHFFFAOYSA-N 422.550 4.501 0 40 HJAB COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)C[C@H]3CCOc4ccccc43)n2)c1 83973766 BAQPDALSLIAGOY-VGOFRKELSA-N 417.509 4.705 0 40 HJAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2ccsc2)cc1 85878070 QCFXAWIMXVAZBP-OAHLLOKOSA-N 420.442 4.677 0 40 HJAB biogenic CCCN(CC)C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 96146555 LXUFIMAZYWOQON-UHFFFAOYSA-N 401.514 4.657 0 40 HJAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C)CC2)on1 100743896 ZGODBYAMLAUZPF-BGTYHANMSA-N 410.562 4.784 0 40 HJAB COc1ccc(-c2csc(C3=C(O)CN(c4cccc(NC(C)=O)c4)C3=N)n2)cc1 102732602 MUHDDVAFYIJAJV-UHFFFAOYSA-N 420.494 4.544 0 40 HJAB C[C@@H](COc1ccc(Cl)cc1)NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 141585408 DZYIFQSMOWBTRR-ZDUSSCGKSA-N 402.281 4.648 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 222411426 CMJULHGUTIIHQK-NRFANRHFSA-N 418.940 4.662 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(O)c(Br)c3)N21 222665644 IHYPZFSBNFQPAP-OAUYIBNBSA-N 404.333 4.529 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 223028284 MRCQWANKUZHVNG-QFIPXVFZSA-N 424.585 4.796 0 40 HJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C 223559023 HIHUCFOLDNPCOQ-OAQYLSRUSA-N 424.585 4.565 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 223679175 ZVCMARLKMDGMER-FQEVSTJZSA-N 402.538 4.634 0 40 HJAB COc1ccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@@H]3C4)CC2)cc1OCc1ccccc1 224086484 ZZVRTZNHXPQCIY-GPXOXTDOSA-N 418.581 4.604 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 225046236 YOSWUXCIXCMJLW-RBUKOAKNSA-N 414.977 4.913 0 40 HJAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1cccc2ccccc12 225408002 ICVYAZVTBLCNDX-KRWDZBQOSA-N 408.929 4.589 0 40 HJAB COc1ccccc1OCc1ccc(C(=O)OCC(=O)c2ccc(C)c(C)c2)cc1 409176323 KOWQRDVIPSVWQQ-UHFFFAOYSA-N 404.462 4.931 0 40 HJAB COc1nc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2s1 580730970 XQQOPNSNGDJLDH-UHFFFAOYSA-N 418.400 4.762 0 40 HJAB CC(C)(CNC(=O)Nc1nnc([C@H]2CCCO2)s1)c1ccc(C(F)(F)F)cc1 1219842030 CCJMXYHZZJQEKN-CYBMUJFWSA-N 414.453 4.508 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 1221531463 SDJSYOYQLWWZSJ-DOADOZAASA-N 407.549 4.799 0 40 HJAB CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O 1615139425 MNXNSACWNJFUFV-SYYKKAFVSA-N 413.901 4.909 0 40 HJAB COC(=O)C1[C@@H](c2ccccc2)C(C(=O)OCc2ccccc2)[C@@H]1c1ccccc1 897536 XGDIQUYLBYNUFA-SSPWFOHLSA-N 400.474 4.716 0 40 HJAB COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(Nc2ccc(F)c(Cl)c2)C1=O 938500 LUKNTPCYCNEKDD-UHFFFAOYSA-N 415.635 4.577 0 40 HJAB COC(=O)c1c(C)n(CCOc2ccccc2OC)c2c1cc(O)c1ccccc12 1097325 OXAOWAONKORWDI-UHFFFAOYSA-N 405.450 4.683 0 40 HJAB O=C(c1ccccc1Cl)c1nn(-c2cccc(Cl)c2)c(=O)cc1C(F)(F)F 1389660 BTKSFAKOVHBPBT-UHFFFAOYSA-N 413.182 4.789 0 40 HJAB Oc1cc2ccccc2cc1-c1nc2c3cnn(-c4cccc(Cl)c4)c3ncn2n1 2231491 ABHJZVBOAUKUAN-UHFFFAOYSA-N 412.840 4.642 0 40 HJAB CCCC(=O)Nc1c(-c2ccc(OC)cc2)c(=O)c(C)nn1-c1ccc(Cl)cc1 2341173 SSPPKVKPFCTWBK-UHFFFAOYSA-N 411.889 4.609 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(C[C@@H]1CCCO1)C3=O 2401848 MAWUZNWSDVGOLX-CVDCTZTESA-N 417.505 4.949 0 40 HJAB CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC)cc1 2446304 XIVUNNKCIZCJLB-UHFFFAOYSA-N 409.559 4.542 0 40 HJAB O=C(Nc1ccccc1Oc1ccccc1)c1cc2c(=O)n3ccccc3nc2s1 3242410 KANLQIWFKKYYCP-UHFFFAOYSA-N 413.458 4.954 0 40 HJAB O=C(NCc1ccccc1)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1Cl 4507421 YJJCILLVGAAMRU-DRVYGDGFSA-N 416.908 4.984 0 40 HJAB COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cc(C)cc(C)c2)c1 4518188 QIMGGVOGUKKREX-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB CCc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1 4610417 YBIUERLUWDGLIX-UHFFFAOYSA-N 417.461 4.550 0 40 HJAB O=C(NC1CCCCC1)N1CCn2cccc2[C@H]1c1ccc(Br)cc1 4854376 PCKXTNGCJDQHAX-LJQANCHMSA-N 402.336 4.698 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nccc(-c2ccc(Br)cc2)n1 4967963 QLSKDIQMEBYKLB-KBPBESRZSA-N 420.376 4.788 0 40 HJAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)o2)cc1 5170179 YCMXYOYKZMNVPG-KBPBESRZSA-N 415.490 4.632 0 40 HJAB C[C@H](Oc1ccccc1)C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 5426620 WJJXEEJDHXFDDS-SFHVURJKSA-N 405.498 4.865 0 40 HJAB COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 6785664 KXPYFYZLHHHPOO-UHFFFAOYSA-N 416.506 4.674 0 40 HJAB C[C@H](Sc1nncs1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 7195301 QCGHKFBDMMYAGI-LBPRGKRZSA-N 412.565 4.858 0 40 HJAB O=C(CCc1nc(-c2ccsc2)no1)N1CCC[C@H](c2nc3ccccc3s2)C1 8736095 YOKNMGJVJBMTDD-AWEZNQCLSA-N 424.551 4.747 0 40 HJAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C 8840972 ONFMXLLOACCNDV-UHFFFAOYSA-N 420.962 4.775 0 40 HJAB CCOC(=O)c1oc2cc(NC(=O)c3ccccc3Br)ccc2c1C 9659920 YTXMEVDZWRAXST-UHFFFAOYSA-N 402.244 4.933 0 40 HJAB biogenic O=C(CSc1nc(C(F)(F)F)nc2ccccc12)Nc1ccnn1C1CCCC1 9814590 ICZWNZJTTUGTBA-UHFFFAOYSA-N 421.448 4.691 0 40 HJAB COc1cccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@H]2c2ccc(C)cc2)c1 10059791 TZTTUFFGQPGCOK-BJKOFHAPSA-N 424.504 4.976 0 40 HJAB COc1cccc(C(=O)N(Cc2ccccn2)c2nc3c(F)cccc3s2)c1OC 10187589 KGNCHWQAMBVDIO-UHFFFAOYSA-N 423.469 4.695 0 40 HJAB CCCOC(=O)c1cccc(NC(=O)CSc2cc(-c3ccccc3)nc(C)n2)c1 12016635 LADMGMLOPSKAMM-UHFFFAOYSA-N 421.522 4.750 0 40 HJAB CC(C)c1ccc(-c2csc(NC(=O)Cn3cccc(C(F)(F)F)c3=O)n2)cc1 12741560 XTYLALFKVKFAEY-UHFFFAOYSA-N 421.444 4.753 0 40 HJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 13710002 SRCSMROVHHBHHL-INIZCTEOSA-N 400.906 4.762 0 40 HJAB COc1ccc(-c2nc(CC(=O)Nc3nc4ccccc4s3)cs2)cc1OC 13731087 UBRGZHKYTRVZII-UHFFFAOYSA-N 411.508 4.618 0 40 HJAB COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN12 13786211 IBFDPFBFOLMWIH-DVECYGJZSA-N 400.434 4.666 0 40 HJAB CCc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C)c4)nccn3n2)cc1 16841610 NWUADFTYODJKLH-UHFFFAOYSA-N 402.523 4.998 0 40 HJAB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 17088409 PYOIYMHBMLGMBA-UHFFFAOYSA-N 410.326 4.715 0 40 HJAB Cc1ccc([C@H](NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2cccnc2)cc1 19136615 RYMWMEKOMPXYQQ-QHCPKHFHSA-N 420.940 4.997 0 40 HJAB O=C(CCc1ccccc1)N1CCC[C@H](c2nnc(-c3nccc4ccccc34)o2)C1 19370737 HATUCVWNYLWEGZ-FQEVSTJZSA-N 412.493 4.624 0 40 HJAB COc1cccc([C@@H]2CN(C(=O)C3CC3)[C@H]3CCN(Cc4cccc(Cl)c4)C[C@H]32)c1 19566149 FOGHCEZBNAMXHI-HJOGWXRNSA-N 424.972 4.575 0 40 HJAB COc1ccccc1CN1CCC[C@H]([C@@H](NC(=O)c2cccs2)c2ccccn2)C1 19570240 BFNRFIIFQPRIMC-WMZHIEFXSA-N 421.566 4.535 0 40 HJAB CCOC(=O)c1cnn(-c2cc(Oc3cc(C)ccc3C)nc(C)n2)c1C(F)(F)F 19910139 NSTQFYZBLFQUTB-UHFFFAOYSA-N 420.391 4.575 0 40 HJAB CN1CCc2c(sc3nc(SCc4c(Cl)cccc4Cl)nc(N)c23)C1 20290085 OFZFYMBDLKMFOA-UHFFFAOYSA-N 411.383 4.861 0 40 HJAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 22917754 YIFVNLSPMKMMPK-UHFFFAOYSA-N 405.435 4.755 0 40 HJAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1cccc(OCc2cscn2)c1 24361555 JIVWRCBVDTXNQG-UHFFFAOYSA-N 417.870 4.504 0 40 HJAB O=C(NCCCn1ccc2ccccc21)c1ccccc1OCc1cn2ccccc2n1 24927771 IVMOTAGUJHXINV-UHFFFAOYSA-N 424.504 4.688 0 40 HJAB COc1cccc([C@H](CNCc2ccc(OCc3ccncc3)cc2)N2CCCC2)c1 30544749 BTJQKBLPNZKSDI-SANMLTNESA-N 417.553 4.596 0 40 HJAB Cc1ccc(-c2noc(COc3ccccc3C(=O)NCc3cccc(C)c3)n2)cc1 32579111 IQHXKFGCOGJCQX-UHFFFAOYSA-N 413.477 4.862 0 40 HJAB CN(C(=O)C[S@](=O)Cc1csc(-c2ccccc2Cl)n1)C1CCCCC1 32801427 CJSYLULNNGVAFY-SANMLTNESA-N 410.992 4.503 0 40 HJAB Cc1ccc(-c2nc(CC(=O)N[C@@H](C)c3cccc(Br)c3)cs2)o1 32816666 DOFYHGMIHTXHGF-LBPRGKRZSA-N 405.317 4.894 0 40 HJAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(c2nc3ccccc3s2)CC1 32856112 YSSHTHZMRVEISO-MRXNPFEDSA-N 411.546 4.834 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1O 33286688 ZXSPJNCHMLHFEZ-MFOYZWKCSA-N 407.850 4.820 0 40 HJAB S=C(Nc1ccc(Cl)cc1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 35781037 LJMIHNWGPQSCOB-XWDORNJCSA-N 402.007 4.932 0 40 HJAB COc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(OC)c1 38834657 XXLLIDQYFZBXBA-UHFFFAOYSA-N 423.340 4.861 0 40 HJAB CC[C@H](C)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2s1 46058576 GBMRIAHHEMBEHZ-HNNXBMFYSA-N 416.568 4.563 0 40 HJAB CN(C[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1)C(=O)OC(C)(C)C 48276504 JFDKEFSDYLPBFK-INIZCTEOSA-N 415.559 4.529 0 40 HJAB CCc1nc(N2CCN(Cc3ccc(Cl)cc3)CC2)c2oc3ccccc3c2n1 57412122 QKBHOYYFPZWFDM-UHFFFAOYSA-N 406.917 4.914 0 40 HJAB CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)cc1 57478563 MPBGUMNISFDQCB-UHFFFAOYSA-N 415.584 4.797 0 40 HJAB CCn1cnnc1C1CCN(C(=O)c2ccccc2Nc2cccc(C)c2C)CC1 72097591 UMFCFTFCAWOQJR-UHFFFAOYSA-N 403.530 4.678 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@H]2c2cc(Nc3nccs3)cc(C)n2)cc1 72372540 CGLZGLGHRIRPGX-NRFANRHFSA-N 422.554 4.895 0 40 HJAB COc1cc(C)c(CN2CCC[C@H]2c2cccc(Nc3cnccn3)n2)c(C)c1C 72375804 KOENEJMFAVVVIA-NRFANRHFSA-N 403.530 4.886 0 40 HJAB C[C@H](Sc1ccccc1Cl)C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 79022638 XJOOPFNTCSLHAG-KGLIPLIRSA-N 401.919 4.672 0 40 HJAB Cc1cc(Br)ccc1NC(=O)COc1ccc(Oc2ccncc2)cc1 79061216 OCNRTGCDDOEDKT-UHFFFAOYSA-N 413.271 4.962 0 40 HJAB COc1ccc(OC)c(C(=O)NCc2sc(-c3ccccc3Cl)nc2C)c1 90593139 GFDIPHUHEXXNDH-UHFFFAOYSA-N 402.903 4.719 0 40 HJAB Cc1nc(C2=C(O)CN(CCC3CCN(Cc4ccccc4)CC3)C2=N)sc1C 102719206 GLMMKQJHDIGTCN-UHFFFAOYSA-N 410.587 4.624 0 40 HJAB Cc1cc(O[C@H]2CCN(C(=O)c3ccc(-c4cccc(Cl)c4)cc3)C2)cc(=O)o1 206964564 DPNQFJGTONTSJH-FQEVSTJZSA-N 409.869 4.562 0 40 HJAB O=C(c1csc(NCc2ccccc2Cl)n1)N1CCO[C@@H](c2ccccc2)C1 218292440 AKLQJWHLRXWXPZ-LJQANCHMSA-N 413.930 4.622 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 223142401 VTEGMSHGZCQXSY-QGZVFWFLSA-N 418.940 4.664 0 40 HJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 223237290 KIDDHNDUWWBUMT-LJQANCHMSA-N 420.553 4.988 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSc1ccc(Cl)cc1 223844105 LLGRXDYSDAZSMP-OAHLLOKOSA-N 422.953 4.515 0 40 HJAB CCc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)cc1 224190648 WHDMEUHRTKHXQR-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(Cl)cc2)cc1 225000257 OMWHYJBPJOZNBW-MOSHPQCFSA-N 410.926 4.797 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)c(C)c1 225738293 KAAGGJDMAGVMIY-UHFFFAOYSA-N 424.547 4.529 0 40 HJAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2c1 225755543 CSPJFAXEVRXJQZ-UHFFFAOYSA-N 408.807 4.929 0 40 HJAB CCOCCOc1ncc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C 225867902 AUMGEKDWIXEAPN-UHFFFAOYSA-N 400.494 4.785 0 40 HJAB CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)n(C)n1 257339478 ZBWUVGCGMBIZKY-HXUWFJFHSA-N 410.493 4.629 0 40 HJAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(N3CCCCC3)o2)S1 408808006 LZVBVIVTKYFJOY-UHFFFAOYSA-N 402.927 4.995 0 40 HJAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OC(=O)c2c(F)cccc2F)cc1 409019876 KPFRUEPMKCIZRD-YBFXNURJSA-N 423.346 4.668 0 40 HJAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 409192403 WUQUPVDIIJBIIE-YBFXNURJSA-N 422.868 4.603 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 409327520 KNMXJCVRYRGWGW-UHFFFAOYSA-N 422.550 4.889 0 40 HJAB CCCOc1c(Cl)cc(C(=O)N[C@H]2CC[C@H](Nc3ccccn3)CC2)cc1OC 516795885 QEBAZKXSWVVCJS-QAQDUYKDSA-N 417.937 4.686 0 40 HJAB Cc1nc([C@@]2(O)CCCN(Cc3ccccc3)CC2)sc1CCOc1ccccc1 607854104 FVGDJMBZTAEHFB-RUZDIDTESA-N 422.594 4.947 0 40 HJAB Fc1ccc2ncnc(NCC3(c4cccc(Br)c4)CCOCC3)c2c1 614309957 WJVKWQZATVMYLW-UHFFFAOYSA-N 416.294 4.692 0 40 HJAB Cc1ccc(CN2CCC3(CCCCc4ccccc4O[C@H](C)C(=O)NC3)CC2)cc1 643588117 AFQRFLFSRLNEFT-JOCHJYFZSA-N 420.597 4.887 0 40 HJAB Cn1ccnc1[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1F 685519146 KYWIHFJDBHHFNU-JENIJYKNSA-N 417.406 4.587 0 40 HJAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1cc2cc(Cl)ccc2s1 1664379367 WUHSYJVWHDAPQJ-GOSISDBHSA-N 417.939 4.720 0 40 HJAB Oc1nc2ccc(-n3c(C(F)(F)F)nc4ccc(C(F)(F)F)nc43)cc2s1 1857797426 BPZAQDCXSKBMKM-UHFFFAOYSA-N 404.295 4.773 0 40 HJAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccccc3C)n2C)cc1 686612 RHBCMRSNXQTMOB-MRXNPFEDSA-N 410.543 4.557 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc4ccc(C)cc4nc3Cl)C2)cc1OC 1261542 YLQFFPNNSPZEEP-HXUWFJFHSA-N 423.900 4.911 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)o1 1439939 MUNAXTDXTIIZCM-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)c1C 2629503 DOOWDZRMTZHOCW-UHFFFAOYSA-N 400.837 4.694 0 40 HJAB Cc1cc(C)c(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1C 2643326 DSRTYDWTPQMFRA-UHFFFAOYSA-N 421.353 4.866 0 40 HJAB COc1cccc(Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3ccccc32)c1 2691889 VIOPKDHBEMVZBJ-UHFFFAOYSA-N 403.865 4.943 0 40 HJAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1sc2cc(Cl)ccc2c1Cl 3336597 RGSANVSVXFHFAK-UHFFFAOYSA-N 420.273 4.661 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc2ccccc2c1=O 3349334 UDSGGGXZZVEQRG-UHFFFAOYSA-N 415.946 4.889 0 40 HJAB O=C(NCCc1ccc(F)cc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 3816439 YYCCEEKJKPRABY-UHFFFAOYSA-N 411.786 4.656 0 40 HJAB O=C1Nc2ccccc2/C1=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 4698827 KOWHLTUQBQZLLT-PFONDFGASA-N 405.262 4.552 0 40 HJAB CN1CCN(c2nc(NC34CC5C[C@](C)(C3)C[C@@](C)(C5)C4)c3ccccc3n2)CC1 4740974 BGLAHJOAUWFLKF-VJMWJIOOSA-N 405.590 4.543 0 40 HJAB Cc1cccc(C(=O)n2nc(-c3cccnc3)nc2NCc2cccc(Cl)c2)c1 4816442 KFTKGOJLWMMKOH-UHFFFAOYSA-N 403.873 4.603 0 40 HJAB Cc1ccc(N2CCN(CCCOC(=O)Nc3cccc4ccccc34)CC2)cc1 4823087 JKKDSEKGGIQFKL-UHFFFAOYSA-N 403.526 4.909 0 40 HJAB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2cccc(O)c2)c1 5349118 GRGDGINFHKTMKW-QFIPXVFZSA-N 412.445 4.569 0 40 HJAB O=C(CSc1nc(-c2ccccc2O)n[nH]1)N(C1CCCCC1)C1CCCCC1 5522534 FZJJNSOHVSVKRI-UHFFFAOYSA-N 414.575 4.763 0 40 HJAB c1ccc(COC[C@@H]2O[C@H]3c4ccccc4CO[C@@H]3[C@@H]2OCc2ccccc2)cc1 5882350 DDSMNKYRACJCFU-SSUZURRFSA-N 402.490 4.828 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccccc2)c1 6097059 VPWDFOVABZMNLF-OAQYLSRUSA-N 420.538 4.679 0 40 HJAB Cc1ccccc1NC(=O)COC(=O)c1oc2ccc(Br)cc2c1C 6839203 UWDRPFAQHZFXBO-UHFFFAOYSA-N 402.244 4.608 0 40 HJAB Cc1nc(NC(=O)c2ccc(Cl)cc2Cl)ccc1I 6960211 MZEUKGZIDCMTBE-UHFFFAOYSA-N 407.038 4.554 0 40 HJAB CCOc1ccc(NC(=O)[C@H](C)Sc2nnc3cc(C)c4ccccc4n23)cc1 7200053 NIOCQTYBMNIPLG-HNNXBMFYSA-N 406.511 4.709 0 40 HJAB CC[C@@H](C)Oc1cccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 7389873 BCBZMOBGGUOZFD-MRXNPFEDSA-N 401.466 4.997 0 40 HJAB COc1ccc2ccccc2c1C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 7389889 NCMAUMDHLQCCFS-UHFFFAOYSA-N 409.917 4.506 0 40 HJAB O=C(COc1ccccc1Cc1ccccc1)Nc1ccnn1Cc1cccs1 7793979 NBZFZONUAKNGBQ-UHFFFAOYSA-N 403.507 4.601 0 40 HJAB COc1cc(CCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc(OC)c1 7948288 UGLAYUQNXTUFFS-JOCHJYFZSA-N 413.564 4.934 0 40 HJAB CCOc1ccc(NC(=O)CN(C)Cc2ccc(C(F)(F)F)cc2)cc1OCC 8092391 USDLJIOINXJISF-UHFFFAOYSA-N 410.436 4.573 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2ccccc2Cl)no1 8314333 RTANHXANRXSTCG-UHFFFAOYSA-N 411.918 4.885 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 8563486 FYRRAHUXQUSUPQ-UHFFFAOYSA-N 405.450 4.573 0 40 HJAB COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 9193038 DQOLYCJVCSLESA-FQEVSTJZSA-N 418.836 4.600 0 40 HJAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C)cc1 9376405 ABKPCYDVIZBXCU-KRWDZBQOSA-N 411.354 4.792 0 40 HJAB CC(C)c1cc(C(=O)Nc2ccc3c(c2)OCCO3)nn1-c1nc2ccccc2s1 12223571 NOHXEYRPUAFRBA-UHFFFAOYSA-N 420.494 4.629 0 40 HJAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)[C@@H](C)n2nc(C(F)F)cc2C)n1 12227902 JVHYAUKRSSNQMA-IUODEOHRSA-N 410.515 4.617 0 40 HJAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)ccc1OC(F)F 12628538 LAYSDDQWONPHMJ-KAMXEHQASA-N 413.424 4.550 0 40 HJAB C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC(c2c[nH]c3ccccc23)CC1 12769761 MUJOACJLXPNKSF-HNNXBMFYSA-N 413.468 4.976 0 40 HJAB O=C(Cc1csc(-c2ccco2)n1)Nc1ncc(Cc2cc(F)cc(F)c2)s1 12822906 AXNKBDXHCPUGTK-UHFFFAOYSA-N 417.462 4.910 0 40 HJAB O=C(Cc1nc(COc2cc(Cl)cc(Cl)c2)cs1)NCc1ccccc1 13009367 OFEFBFQUXWUJOX-UHFFFAOYSA-N 407.322 4.888 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(C)cc2)sc2c1CCCC2 14013356 QCDKJGXJIOHKBN-KRWDZBQOSA-N 401.528 4.908 0 40 HJAB COc1ccc(OC)c([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)c1 15081456 MYWKOYQMHDTZBB-OAHLLOKOSA-N 409.463 4.605 0 40 HJAB COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3ccccc3F)nc12 15881811 FCSDTGANAGKFPM-UHFFFAOYSA-N 423.469 4.695 0 40 HJAB Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccc(F)c(Cl)c3)S2)cc1C 17043618 KWEIWQRVHZNWEL-MRXNPFEDSA-N 405.882 4.535 0 40 HJAB Cn1ccnc1-c1nc(NCc2ccc3c(c2)OCO3)ncc1-c1ccc(Cl)cc1 19291705 LWZSASHJXOOPKB-UHFFFAOYSA-N 419.872 4.538 0 40 HJAB CC[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(Cc4ccncc4C)C3)cc2N1 19500879 RWCYJNURQPBREZ-ZIFCJYIRSA-N 407.484 4.664 0 40 HJAB CCOc1ccc(CN(Cc2ccc(F)cc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 19533173 JXPFKQKYDLYRDO-PXDATVDWSA-N 424.516 4.781 0 40 HJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(I)cc1 20450277 TWHNRXMXCAMZLR-MRXNPFEDSA-N 409.267 4.704 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c(C)c4)cc3n2)cc1Cl 20610703 LHFWAIMAMMEKRC-UHFFFAOYSA-N 406.873 4.952 0 40 HJAB CC(C)c1ccc(S(=O)(=O)N(Cc2nc(-c3cccs3)no2)C(C)(C)C)cc1 22257149 SXIAMZWMBOPWLU-UHFFFAOYSA-N 419.572 4.911 0 40 HJAB CC(C)C(NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)C(C)C 22523351 CMNFDZYYMVIFNM-UHFFFAOYSA-N 408.951 4.551 0 40 HJAB O=C(Nc1ccccc1Br)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 24003960 DVEVIQJFEMGTCB-HNNXBMFYSA-N 409.283 4.594 0 40 HJAB CCCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)n1 24759052 LEPMFQJXFAYDMB-HNNXBMFYSA-N 421.526 4.668 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N(C)c3ccccc3)c2)cc1 30753816 XSNHLIHQZHSSLY-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4ccccc4)nn32)cc1Cl 32095113 XLUQBUDEJBWWTH-INIZCTEOSA-N 410.861 4.692 0 40 HJAB CCc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1 32622748 AVRBKXASRHTUNU-OAQYLSRUSA-N 424.928 4.506 0 40 HJAB COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(OC)c2)cc1 36247422 KYHJBYCNPKXFLS-UHFFFAOYSA-N 417.914 4.753 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1N1CCCC1 40157787 MFJGNMMOYVRNMI-UHFFFAOYSA-N 413.880 4.973 0 40 HJAB O=C(NC(C1CC1)C1CC1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 48288732 VBCCCFKTVGIBCQ-UHFFFAOYSA-N 412.493 4.658 0 40 HJAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)Nc1ccccc1Cc1ccccc1 48324316 RECBUYCWZMGVHO-QFIPXVFZSA-N 421.566 4.534 0 40 HJAB COc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1Br 50547866 KXIFJZGEMILLAQ-DHDCSXOGSA-N 405.273 4.552 0 40 HJAB CC[C@H](C)n1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2ccsc2c1=O 67335124 BKPMMHMJCUODFI-AWEZNQCLSA-N 401.557 4.777 0 40 HJAB COc1ccc(C(=O)N[C@H]2C[C@@H](Cc3cc(COc4ccccc4)on3)C2(C)C)cc1 67890280 RASNQXXGMKFZQL-JPYJTQIMSA-N 420.509 4.649 0 40 HJAB biogenic,in-vitro CC(C)CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nc2ccccc2c1=O 71185302 LPBODLQYSCRZDE-AWEZNQCLSA-N 400.548 4.976 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cc(F)c(F)c(F)c2)S1 96117218 AKPHFWUMNXHGHS-ZBEGNZNMSA-N 411.449 4.610 0 40 HJAB COc1ccc(Cc2nn3c(-c4cccc(Cl)c4Cl)nnc3s2)cc1OC 105880857 SVKFDJKXERXDSA-UHFFFAOYSA-N 421.309 4.768 0 40 HJAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C1=O 205687512 TXAYKBKJQMPSKB-CXUHLZMHSA-N 405.859 4.508 0 40 HJAB C[C@H]1CN(Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)C[C@H](C)O1 216840007 RVQGUQMHWMEQJX-KBPBESRZSA-N 401.304 4.867 0 40 HJAB CCOc1ccc(CCC(=O)NCCCc2cccc(OC(C)C)c2)cc1OCC 219278435 LBKPKWXEEZCFGP-UHFFFAOYSA-N 413.558 4.953 0 40 HJAB Cc1ccccc1CSCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C 222628347 FTKTZIGQIMMFRV-LJQANCHMSA-N 412.599 4.560 0 40 HJAB CCc1ccc(N(CCCC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1 222639258 HQMDNUUCTXOGRR-UHFFFAOYSA-N 410.539 4.587 0 40 HJAB COc1ccc(/C=C(/C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c2ccccc2)cc1 222657234 KCEAZBRIKZMDIR-OZHVRZOASA-N 415.489 4.884 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2cccnc2)c1C 222952721 FJTCCVVLMSPUBX-PKTZIBPZSA-N 419.598 4.716 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 223795580 QZBNLBSABOIMLO-NRFANRHFSA-N 400.950 4.606 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1 224136077 PAGSOXQRHWYMGS-UHFFFAOYSA-N 422.550 4.943 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 225525692 XVPMGEVPKMEJTM-XMSQKQJNSA-N 414.977 4.913 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 225641578 AGHXWAVLVRHSST-XMSQKQJNSA-N 414.977 4.913 0 40 HJAB Cc1noc(C)c1CC(=O)N1CCC[C@]12CO[C@@H](c1cccc(F)c1)[C@H](C(C)C)C2 257279030 OESBJFWWDJDCCZ-XWGVYQGASA-N 414.521 4.768 0 40 HJAB NC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CC2CCCCC2)CC1 257336033 YMWLFNRCJCJOMJ-UHFFFAOYSA-N 418.581 4.961 0 40 HJAB CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1F 408556749 LIBJLGDKXJDSSG-UHFFFAOYSA-N 424.472 4.863 0 40 HJAB O=C(COC(=O)CCCC(=O)Nc1cccc2ccccc12)Nc1cccc(Cl)c1 408643549 BNEJIQMVURZRFK-UHFFFAOYSA-N 424.884 4.784 0 40 HJAB O=C(c1cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2s1)N1CCCC1 408712925 BPMOSPTYTYIVME-UHFFFAOYSA-N 420.943 4.592 0 40 HJAB CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 409106490 NPSMQMULFSVZKX-UHFFFAOYSA-N 414.962 4.909 0 40 HJAB Cc1ccccc1CN(c1ccc(C(=O)Nc2ccccc2C)cc1)S(C)(=O)=O 409139821 CCXMNEMEWLMPIW-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O)Nc1ccc(F)cc1 409165410 XYGJWEPVVSGTKD-OQLLNIDSSA-N 424.375 4.520 0 40 HJAB COc1cc(-c2nnn(Cc3c(F)cccc3Cl)n2)ccc1OCc1ccccc1 919956 KPBJBDSUZYNQMZ-UHFFFAOYSA-N 424.863 4.769 0 40 HJAB Cc1c(OCC(=O)c2ccc3c(c2)OCO3)ccc2c(-c3ccccc3)cc(=O)oc12 2109457 YHPMBWOYLJCYEW-UHFFFAOYSA-N 414.413 4.759 0 40 HJAB biogenic O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1ccc2ccccc2c1 2371636 ILSMJCNOQQSXDE-UHFFFAOYSA-N 418.408 4.809 0 40 HJAB COc1ccccc1CNC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 2621519 PLORYDBLNCEKHO-UHFFFAOYSA-N 421.547 4.775 0 40 HJAB COc1ccccc1Cn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)cc(F)c21 2687702 HGWNURVBUJUUHB-UHFFFAOYSA-N 419.427 4.876 0 40 HJAB O=C(CSc1nncn1-c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 3292773 GTTUKFSDCFDSRY-UHFFFAOYSA-N 412.824 4.670 0 40 HJAB Cc1ccc(-n2c(SCc3cc(=O)c(O)co3)nnc2-c2ccccc2)cc1C 3327261 GHBISFJIEDEBHX-UHFFFAOYSA-N 405.479 4.502 0 40 HJAB Oc1ccccc1N1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 3353876 JRJLIHNZDXMNEW-UHFFFAOYSA-N 405.523 4.704 0 40 HJAB COc1cccc(-c2nnc(SCC(=O)c3ccccc3)n2-c2ccccc2)c1 3364182 NQAQGBQTPSSUHE-UHFFFAOYSA-N 401.491 4.918 0 40 HJAB COc1ccc(OC)c(NC(=O)CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 3398562 QCRUINAIKAHZKO-UHFFFAOYSA-N 422.325 4.792 0 40 HJAB CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 3561245 HGIBPPVAZOFDTF-UHFFFAOYSA-N 400.544 4.627 0 40 HJAB CC1=C(C(=O)O[C@H]2CC[C@@H](C)[C@@H](C)C2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 4066628 UVIDMRLTCLAOKX-YSYLPMMESA-N 411.329 4.989 0 40 HJAB CCOc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\Nc2ccccc2)c1 4679711 ZUPUFQVGCSDOLR-PNHLSOANSA-N 415.449 4.717 0 40 HJAB CC(C)Oc1ccc(C(=O)COC(=O)CSc2nc3ccccc3s2)cc1 4700166 LHFIEVVNPBFUNP-UHFFFAOYSA-N 401.509 4.602 0 40 HJAB O=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc(Cl)cc1 4784369 SLWTXLYAQWMBCB-RUZDIDTESA-N 419.908 4.780 0 40 HJAB CCc1ccc(C(=O)N2CCC[C@H]2c2nnc(SCc3ccccc3)n2C)cc1 5001634 XHZKDHOWYCRXOL-FQEVSTJZSA-N 406.555 4.647 0 40 HJAB Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)no1 5303842 ISHFZFRDNPIXAT-FQEVSTJZSA-N 404.397 4.595 0 40 HJAB CCCc1cc(=O)[nH]c(SCc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n1 5488500 LSTVJYMVZWSUCF-UHFFFAOYSA-N 413.930 4.920 0 40 HJAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cc3ccc(Cl)cc3)c2C(N)=O)C1 5902902 KHLGIGTZRJMGQW-ZDUSSCGKSA-N 404.963 4.833 0 40 HJAB CCCOc1c(Br)cc(C(=O)Nc2ccc(OCC)cc2)cc1OC 6274207 JRVOIFMMBHNQJE-UHFFFAOYSA-N 408.292 4.898 0 40 HJAB COc1cccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)c1OC 6679013 JFBNXYZNRVZXLM-YCRPNKLZSA-N 423.538 4.670 0 40 HJAB c1ccc(-n2c(SCc3cc(-c4ccco4)on3)nnc2N2CCCCC2)cc1 7103460 JXXOVUANHUDDMW-UHFFFAOYSA-N 407.499 4.798 0 40 HJAB CCc1oc2ccccc2c1/C=C/C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 7450167 DGCLHCNORHHLDK-VAWYXSNFSA-N 408.542 4.650 0 40 HJAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3c4c(nc5ccccc35)CCC4)o2)cc1 7477465 WMJBBBREKFOVIK-CQSZACIVSA-N 415.449 4.700 0 40 HJAB COc1ccc(-c2nc(-c3ccc(CC[C@H](C)NC(C)=O)cc3)cs2)cc1OC 7785509 UMLZMWJWDGJNTJ-HNNXBMFYSA-N 410.539 4.952 0 40 HJAB COc1ccc(CCN2C(=O)c3ccccc3N[C@H]2c2ccc(OC)cc2OC)cc1 7884457 PNAUINPJOYNRHV-XMMPIXPASA-N 418.493 4.522 0 40 HJAB O=S(=O)(c1ccc(F)cc1)N(Cc1coc(-c2cccs2)n1)c1ccccc1 8328054 LBJUCARYSIFMLP-UHFFFAOYSA-N 414.483 4.938 0 40 HJAB Cc1nc2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccs3)cc2s1 9377210 DWAJPWXCBUSMDS-GOSISDBHSA-N 421.547 4.646 0 40 HJAB CC(C)(C)C(=O)Nc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)s1 9600160 FVFLXUMTAVEIRM-UHFFFAOYSA-N 419.359 4.560 0 40 HJAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccccc1C(C)C)S(C)(=O)=O 10369688 LMCBSVLLNBJMCG-HNNXBMFYSA-N 408.951 4.565 0 40 HJAB Brc1ccc(CSc2ccc(-c3ccc4c(c3)OCO4)nn2)cc1 10453571 ZFCLAAGIHLSKOL-UHFFFAOYSA-N 401.285 4.927 0 40 HJAB O=C(CCS[C@@H]1CCc2ccccc2N=C1O)NCCc1c[nH]c2ccccc12 12321615 BUYNUHGBEPJARD-OAQYLSRUSA-N 407.539 4.553 0 40 HJAB O=C(O)/C=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 12394684 PGCRWZFJFAOYHV-VOTSOKGWSA-N 412.077 4.888 0 40 HJAB O=C(Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1)c1ccco1 12526237 KPZDSJVUNHWRHE-UHFFFAOYSA-N 424.450 4.647 0 40 HJAB O=C1CN(C(=O)Cc2c(Cl)cccc2Cl)c2ccc(C(F)(F)F)cc2N1 12813750 SFILMSJNRQGJCP-UHFFFAOYSA-N 403.187 4.540 0 40 HJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N[C@@H](c1ccc(F)cc1)c1cccs1 13128810 GLSHSDZLWUNBMW-IBGZPJMESA-N 424.526 4.670 0 40 HJAB O=C(NCc1ccc(F)cc1)C1(Cc2ccccc2-c2cccnc2)CCOCC1 13266931 XRIWFXRSKAVQJX-UHFFFAOYSA-N 404.485 4.543 0 40 HJAB C[C@@H]1CCCC[C@H]1NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 13579435 NHHILIHHXWJECQ-ARELOLJLSA-N 401.510 4.634 0 40 HJAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O 13750563 LUCFPIPCOQPUBK-HXUWFJFHSA-N 411.505 4.922 0 40 HJAB C=Cc1ccc(CN2C(=O)N(Cc3ccc(F)cc3)S(=O)(=O)c3ccccc32)cc1 15868368 HODJNWWIJRUYRN-UHFFFAOYSA-N 422.481 4.800 0 40 HJAB O=C(Cc1ccccc1)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl 16478608 XPNBRKJTTVTDEV-OAQYLSRUSA-N 403.869 4.838 0 40 HJAB COC(=O)NC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc(C)c1C 16689831 AJGXDWGTSFUWQE-UHFFFAOYSA-N 422.506 4.632 0 40 HJAB Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)CCC3CCCCC3)CC2)n1 17012176 QWAZVCJYNBXUNE-UHFFFAOYSA-N 407.562 4.538 0 40 HJAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)cc1 17089699 OHWLFBKXLZAWFU-UHFFFAOYSA-N 413.724 4.546 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 17307475 LUQUKRWEDFKJSN-UHFFFAOYSA-N 400.478 4.931 0 40 HJAB COCc1ccc(C(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cc1 19594416 OKGJLEDHSCENHT-INIZCTEOSA-N 417.431 4.748 0 40 HJAB CCn1cc(CN2CCC(c3cc(Cc4ccccc4OC)cc(C)n3)CC2)c(C)n1 19691844 AMTJFKXBTRJKJL-UHFFFAOYSA-N 418.585 4.894 0 40 HJAB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccccc1C 19818180 JYFGYISWWSHUJH-VXKWHMMOSA-N 419.525 4.506 0 40 HJAB Cc1ccc(-n2ncc(C(=O)N3CCc4ccccc4C3)c2-n2cccc2)cc1Cl 22519997 ZLSUQSKMPCZLCE-UHFFFAOYSA-N 416.912 4.823 0 40 HJAB c1ccc(-c2csc3nc(CN4CCOCC4)nc(N4CCCCCCC4)c23)cc1 25391079 CVZAMNCVPSAEMN-UHFFFAOYSA-N 422.598 4.961 0 40 HJAB Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)N2CCCCCC2)cc1 27584362 YHWZGHFJCCVLIP-QFIPXVFZSA-N 400.950 4.761 0 40 HJAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(Cc2cc3ccccc3nc2Cl)C1=O 30345922 UFYFRLRUSVEMRM-JOCHJYFZSA-N 405.841 4.602 0 40 HJAB CC(C)[C@@H](NCc1ccc(OCc2ccncc2)cc1)c1ccc2c(c1)OCCO2 30545909 QOQMTVFYDWIAQC-RUZDIDTESA-N 404.510 4.919 0 40 HJAB O=c1c2c(ncn1Cc1ccc(F)cc1)c1cc(F)ccc1n2Cc1ccccc1 35400332 ZQDMNSKQQXTIKQ-UHFFFAOYSA-N 401.416 4.726 0 40 HJAB COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38834524 VSJVWLPEHWKBTE-HNNXBMFYSA-N 421.324 4.631 0 40 HJAB O=S(=O)(c1cccc(NCc2csc(-c3cccs3)n2)c1)N1CCCCC1 39987692 NAJKXIULZOYAOA-UHFFFAOYSA-N 419.597 4.658 0 40 HJAB CCOc1ccc([C@H](NC(=O)CSCc2c(C)noc2C)c2ccccc2)cc1 40089222 DDQJQIHNBNRYTE-HSZRJFAPSA-N 410.539 4.829 0 40 HJAB C[C@H](NC(=O)CCNC(=O)c1ccc(F)cc1Cl)c1ccc(Cl)c(Cl)c1 40130325 XSIPCVUCHZBQFD-JTQLQIEISA-N 417.695 4.783 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Oc2ccccc2C(C)C)CC1 44903048 QTOSJQUHFMFFST-SFHVURJKSA-N 400.950 4.888 0 40 HJAB COc1ccc(-c2noc(-c3ccc(NC(=O)COc4cccc(C)c4)cc3)n2)cc1 46018762 SPLNUMHPKFGXMX-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB O=C(OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1ccc2ccccc2n1 51315310 ZMSPIHFIXQSHIV-UHFFFAOYSA-N 415.327 4.540 0 40 HJAB CN1CCCN(c2ccc(NC(=O)N[C@@H](c3cccs3)C(C)(C)C)cc2F)CC1 58008273 ZLKRNYZLPTVBME-FQEVSTJZSA-N 418.582 4.938 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC2(c3ccccc3)CCC2)cc1 58210733 YYYHLFHXWDLFBP-UHFFFAOYSA-N 420.534 4.605 0 40 HJAB COC(=O)CC[C@@H](C)[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[C@H]3O 64220359 GRQROVWZGGDYSW-FSRREMSASA-N 406.607 4.566 0 40 HJAB biogenic Cn1nccc1CN1CCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 72374146 QEQSTAWDQDZKKG-NRFANRHFSA-N 400.448 4.762 0 40 HJAB O=C(Nc1nncs1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 72400955 BKGSBGZSJPSVBF-IBGZPJMESA-N 424.570 4.752 0 40 HJAB O=C(Cc1ccccc1Cl)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 77099578 YYNGVWAMTKSMBJ-UHFFFAOYSA-N 421.806 4.577 0 40 HJAB O=C(N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)C12CC(C(F)(F)F)(C1)C2 97165154 OLRQJGJUQRZRAJ-JEYLPNPQSA-N 412.210 4.765 0 40 HJAB O=C1C2=C(C(c3ccc(Cl)cc3)=NCCN2)[C@H](c2ccccc2)N1c1ccccc1 100085164 NUKBFNTXXDFNTC-DEOSSOPVSA-N 413.908 4.775 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1O 106701790 BLSJLKZETBNCEU-YVLHZVERSA-N 403.887 4.989 0 40 HJAB O=C(CCc1ccc2c(c1)OCO2)NCCSCc1ccc(Cl)c(Cl)c1 222649096 AUGDBUUPSPUWTI-UHFFFAOYSA-N 412.338 4.704 0 40 HJAB Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1S(=O)(=O)Nc1ccccc1 223938031 QMYDBRIWBAQBSK-UHFFFAOYSA-N 402.560 4.740 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 224197879 DUXDOUBVLBYVFP-DEOSSOPVSA-N 406.570 4.712 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C 224222753 TZUXUOVVMMDBPE-QFIPXVFZSA-N 424.585 4.615 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C)c1 224407523 HQZLZVFYPRROCC-QHCPKHFHSA-N 410.533 4.543 0 40 HJAB Cc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCCC2)cc1 224729789 METOGGRXKAAYTE-OAQYLSRUSA-N 422.569 4.548 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 225189036 KVFFBHDENDLVAR-QHCPKHFHSA-N 410.533 4.625 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 225215579 DLQRMSORDHUBQZ-QFIPXVFZSA-N 414.977 4.833 0 40 HJAB COc1cccnc1NC(=S)NCCSCc1c(Cl)cccc1Cl 225366688 YRKSGVLINZAATD-UHFFFAOYSA-N 402.372 4.617 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 225544974 WRVBLVDAJPZHPK-URXFXBBRSA-N 408.586 4.876 0 40 HJAB COc1ccc(-c2nnsc2C(=O)NC(c2ccccc2)c2ccccc2)cc1 225763777 JSZMLKVZRCNVBJ-UHFFFAOYSA-N 401.491 4.733 0 40 HJAB Cc1cccc(-c2nc3sc(=Cc4ccc(-c5ccccc5Cl)o4)c(=O)n3n2)c1 254394413 SQFNFFKEYREADQ-UHFFFAOYSA-N 419.893 4.588 0 40 HJAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccccn2)CC1 257232478 GLAPTNOPICMXFN-UHFFFAOYSA-N 413.565 4.710 0 40 HJAB O=C(NC1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 408549035 VXJYQZZXVGDREC-UHFFFAOYSA-N 406.935 4.593 0 40 HJAB CC(C)Oc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 408617001 DPMVBGUGPKSMAQ-UHFFFAOYSA-N 424.522 4.551 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2c(C)cccc2C)o1 409347166 MMGKXQWTOMJXRW-UHFFFAOYSA-N 411.527 4.867 0 40 HJAB O=C1CCc2cc(C(=O)N3CCC[C@H](c4cccc(C(F)(F)F)c4)C3)c(F)cc2N1 570522007 UHHTUYDPHMFISJ-HNNXBMFYSA-N 420.406 4.749 0 40 HJAB O=C(O)c1ccccc1CN1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 585183193 JQDRMZZOLAPXEJ-SFHVURJKSA-N 410.901 4.997 0 40 HJAB CC(C)(C)c1csc(NC(=O)c2ccc(CN3Cc4ccccc4C3=O)cc2)n1 1565524521 JRGHFKLQBFJLLD-UHFFFAOYSA-N 405.523 4.849 0 40 HJAB C[C@@H](Sc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)C(=O)Nc1ccccc1 886654 CYRHGTMHNKDFPD-MRXNPFEDSA-N 416.506 4.759 0 40 HJAB COc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 937236 KLEKINHNKLCPGC-UHFFFAOYSA-N 424.884 4.927 0 40 HJAB C[C@@]1(c2ccc3noc(-c4ccc(F)cc4)c3c2)NC(=O)N(c2cccc(F)c2)N1 1401680 UARXESVDUXJQAY-JOCHJYFZSA-N 406.392 4.680 0 40 HJAB CSCC[C@@H](NC(=O)c1cccc(Br)c1)c1nc2ccccc2[nH]1 2284757 GIVPCDKKKUQUBK-MRXNPFEDSA-N 404.333 4.550 0 40 HJAB COCCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccccc3)cc12 2328140 RGXNEZBXDJPUML-UHFFFAOYSA-N 419.271 4.886 0 40 HJAB biogenic CCCCc1cc(=O)oc2cc(OC(=O)CCNC(=O)OC(C)(C)C)c(Cl)cc12 2396402 SKIUJARLLTZWOZ-UHFFFAOYSA-N 423.893 4.609 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ncccn1 2424767 QGJKQUXYOCNATG-QGZVFWFLSA-N 424.243 4.640 0 40 HJAB O=S(=O)(CCSc1c(F)c(F)c(F)c(F)c1F)c1ccc(Cl)cc1 2557714 NCOFKIVQWGXENR-UHFFFAOYSA-N 402.793 4.602 0 40 HJAB O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(Br)o1 3183597 URXREQCUJFTCEI-UHFFFAOYSA-N 417.240 4.524 0 40 HJAB Cc1ccc(-n2c(SCc3cn4ccsc4n3)nc3ccccc3c2=O)cc1 3235874 ZJZLRPAGGRICSC-UHFFFAOYSA-N 404.520 4.696 0 40 HJAB Cc1cccc(Nc2nnc(SCC(=O)NCc3ccccc3Cl)s2)c1 3295588 CDDHRYKXSLLNRA-UHFFFAOYSA-N 404.948 4.652 0 40 HJAB CC(=O)c1ccc(N2CCN(c3ncnc4sc(-c5ccccc5)cc34)CC2)cc1 3358987 XIFRVLLVCRPSLE-UHFFFAOYSA-N 414.534 4.888 0 40 HJAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3486471 QIJMBCLYIQHIST-LJQANCHMSA-N 410.495 4.562 0 40 HJAB O=C(O)CCSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1 4126765 ONEYQUFCKREJEN-UHFFFAOYSA-N 405.479 4.566 0 40 HJAB COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(OC)c(OC)c1)O2 4291749 AMXVGDZWMXQINT-BWKNWUBXSA-N 416.477 4.955 0 40 HJAB COc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2OC)c1 4657704 SORGDOSIDVFDNE-LCUIJRPUSA-N 400.434 4.935 0 40 HJAB Cc1nnc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccco2)o1 5858309 VYCOGVCNHBBXCN-UHFFFAOYSA-N 409.515 4.868 0 40 HJAB CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 6046320 QMILGEHVIFZWGN-SFHVURJKSA-N 403.404 4.534 0 40 HJAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1 6386514 SKMBAHGSGXFNBB-UHFFFAOYSA-N 403.935 4.524 0 40 HJAB CCOc1ccc(NC(=O)c2cc(Br)c(OCC)c(OCC)c2)cc1 6439650 VWVNZKPTDILAQD-UHFFFAOYSA-N 408.292 4.898 0 40 HJAB COc1ccc(N(C[C@H]2CC2(Cl)Cl)S(=O)(=O)c2cc(C)ccc2C)cc1 6541694 MMVKMTJQSDOONW-OAHLLOKOSA-N 414.354 4.701 0 40 HJAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@H]1c1cccs1 8023104 BKERSBDDALMURH-RJRNSMGGSA-N 411.523 4.541 0 40 HJAB CCN(CC)c1ccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 10626095 KBALRJRPHJZHNZ-UHFFFAOYSA-N 407.514 4.519 0 40 HJAB CC(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)cc1 11614664 OPGGBQURKXEUAU-OAQYLSRUSA-N 424.928 4.677 0 40 HJAB O=C1Nc2ccc(Cl)cc2[C@]12Oc1ccccc1[C@@H]1CC(c3ccc(F)cc3)=NN12 12130049 SLVBBLSCBBHIBX-REWPJTCUSA-N 419.843 4.828 0 40 HJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN[C@@H](C)c1ccccc1 12599519 MUNZCEBCOXVVOS-INIZCTEOSA-N 408.523 4.881 0 40 HJAB CC(C)CN(CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)C1CC1 12898461 JBBHZYKFIBWNAV-HXUWFJFHSA-N 405.498 4.824 0 40 HJAB Cc1cc(NC(=O)[C@@H](Sc2ncnc3nc[nH]c23)c2ccccc2)ccc1Cl 13572685 GOCJRWGLJFKZRB-KRWDZBQOSA-N 409.902 4.787 0 40 HJAB CC[C@@H](C(=O)Nc1ccc2ccccc2c1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712002 PENOMDSAZSFZKZ-FQEVSTJZSA-N 416.930 4.677 0 40 HJAB CCOc1ccc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)cc1 15881568 RTZWUIRUVNLQIK-UHFFFAOYSA-N 418.497 4.927 0 40 HJAB Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3ccc4c(c3)OCO4)[C@@H]2c2cccs2)cc1 16018610 YYAHCFSZCUMPQE-VGOFRKELSA-N 420.490 4.518 0 40 HJAB COc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 16973591 MGGPZYZLMOPVMF-UHFFFAOYSA-N 424.913 4.789 0 40 HJAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 17315862 LEZHQEVCJZOIJN-UHFFFAOYSA-N 400.478 4.931 0 40 HJAB Cc1cc(C)n([C@H](C)C(=O)Nc2nnc(C(c3ccccc3)c3ccccc3)s2)n1 19716912 JQXJRMKNKUXGHV-QGZVFWFLSA-N 417.538 4.731 0 40 HJAB COc1ccc(Cc2nnc(S[C@H](C)c3nnc(-c4cccc(C)c4)o3)o2)cc1 26563849 MZGPZATYUQXCOZ-CQSZACIVSA-N 408.483 4.881 0 40 HJAB Cc1ccc(OCC(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1C 27747403 YBJWFNVVOASGGX-UHFFFAOYSA-N 401.260 4.738 0 40 HJAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1cccc2ccccc12)C[C@@H]1CCCO1 27990639 HJHDKQPYRBZARR-FQEVSTJZSA-N 413.473 4.768 0 40 HJAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Br)c2ccccc12 41096629 QSKIUMNLOIFMGO-CYBMUJFWSA-N 402.313 4.742 0 40 HJAB CSC(SC)=C1CCC[C@H]2C1=NN(C(=O)CCC(=O)O)[C@@H]2c1ccccc1 51329766 OHBBJEPGVKVFRN-IFXJQAMLSA-N 404.557 4.528 0 40 HJAB CCOc1ccc([C@@H](CNC(=O)[C@H](CC)OCC)c2c[nH]c3ccccc23)cc1OC 60032204 COPBLVUGOXFIHG-KNQAVFIVSA-N 424.541 4.638 0 40 HJAB Cc1cc(C)n(-c2ncc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cn2)n1 77100028 CQKDHUMVTBKNNJ-UHFFFAOYSA-N 410.787 4.595 0 40 HJAB CO[C@H]1CCCN(c2ccc(NC(=O)CCc3ccc(Br)cc3)cc2)C1 96122455 NDLAPMDWIOFHFV-FQEVSTJZSA-N 417.347 4.636 0 40 HJAB COc1ccc(OCCCC(=O)N2CC=C(c3cncc4ccccc34)CC2)cc1 97108942 IMBUMVNKBNIFSN-UHFFFAOYSA-N 402.494 4.718 0 40 HJAB O=C(C1c2ccccc2Oc2ccccc21)N1[C@H]2CC[C@H]1CC(O)(c1ccco1)C2 100128990 XJZKHIMCXMYMMI-IRXDYDNUSA-N 401.462 4.558 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)Nc1c(NC2CCCC2)c2ccccc2oc1=O 101094325 DTLVGIOSXZSWSK-UHFFFAOYSA-N 407.426 4.520 0 40 HJAB CCSc1nnc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)s1 102181802 XISXAOQWBHQULG-CHISNJGVSA-N 416.410 4.713 0 40 HJAB C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1ON(c1ccccc1)[C@H]2c1ccccc1 102697245 JRYISFBJRDAFHH-AWRGLXIESA-N 418.880 4.781 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1cccnc1 222590902 CVGLJZPKXGQJAF-KNXBSLHKSA-N 403.555 4.533 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccnc1 225008926 IFGXHMVZGYXUNT-DHIUTWEWSA-N 417.582 4.799 0 40 HJAB Cc1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)cc1Cl 225772444 UQBFECFOBWGOEB-UHFFFAOYSA-N 403.979 4.608 0 40 HJAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257200836 AFBRQQILKLANJA-QGZVFWFLSA-N 419.504 4.566 0 40 HJAB O=C(O)c1cnc(N2CCC[C@@H]2c2cccc(F)c2)nc1CCCc1ccccc1 257248773 JFDHATQUBVRSPP-JOCHJYFZSA-N 405.473 4.831 0 40 HJAB Fc1ccc(Cc2cccc([C@@H]3CN(Cc4ccc5ncccc5c4)CCO3)n2)cc1 257288220 PTJYIXIQWLBJSR-SANMLTNESA-N 413.496 4.933 0 40 HJAB Cc1ccc(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c(C)c1 409145533 QFRGNRDYBNFAET-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB COc1cc(OC)cc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)c1 670417804 GRIVPWZPUMLFNC-UHFFFAOYSA-N 417.505 4.972 0 40 HJAB COc1cc(NC(=O)c2ccccc2)c(Cl)cc1NC(=O)c1ccc(N(C)C)cc1 671322 ZCKFWWIMSZIXGU-UHFFFAOYSA-N 423.900 4.919 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc(C(C)=O)c1C 707303 RCWUXZWADRVQHX-UHFFFAOYSA-N 400.283 4.995 0 40 HJAB CCN(CC)c1ccc2cc(C(=O)Nc3nc4ccc(OC)cc4s3)c(=O)oc2c1 922653 CBLPONUCNQKKGT-UHFFFAOYSA-N 423.494 4.510 0 40 HJAB CCOC(=O)c1c(N)oc2c(-c3ccc(C)cc3)c3c(C(=O)OCC)c(N)oc3cc12 1424249 HSSMXGMLIVVIHS-UHFFFAOYSA-N 422.437 4.672 0 40 HJAB COc1ccc(OCCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 2199664 QKFLEAUBKAOQPD-UHFFFAOYSA-N 416.477 4.550 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccco2)c1 2453139 YIEKZRFIEQFSEB-UHFFFAOYSA-N 422.485 4.765 0 40 HJAB Cc1cc(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)c(C)n1C[C@@H]1CCCO1 3379093 LMBSTQXUFIDKOE-QHCPKHFHSA-N 417.505 4.777 0 40 HJAB CCN(CC)CCN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=O)Nc1ccccc1 4231257 VBSHHLSLUWGRPE-UHFFFAOYSA-N 420.557 4.521 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)c1C 4400162 HJWJUHSIJAFTIB-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB CCOc1ccc(C(=O)CSc2nnc(Nc3cccc(OC)c3)s2)cc1 4501299 PHQMBBGVSRSYCI-UHFFFAOYSA-N 401.513 4.664 0 40 HJAB CCc1nnsc1C(=O)Nc1c(C(=O)Nc2ccc(C)cc2)oc2ccccc12 4941912 OSCWZFRYQOLVAR-UHFFFAOYSA-N 406.467 4.660 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)c1C 6217537 AZTSBBKHCMLTPB-UHFFFAOYSA-N 413.499 4.501 0 40 HJAB Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)s1 6367016 BLUSJTGPXKEXDR-HNNXBMFYSA-N 410.495 4.523 0 40 HJAB Cc1ccc(C)c(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1 6728358 UATPFJDWFFNBJD-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(OCc2ccc(F)cc2)c1 6988472 JKMPFFAXJUJBEL-UHFFFAOYSA-N 404.441 4.784 0 40 HJAB COc1cc(C(C)=O)ccc1Oc1ncnc2c1cnn2-c1cc(Cl)ccc1C 7444703 UWGSHLLJIYRTIS-UHFFFAOYSA-N 408.845 4.781 0 40 HJAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O 7882368 SKYWDSASKALIMO-SFHVURJKSA-N 416.477 4.788 0 40 HJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4c(OC)cccc4OC)cc3n2)cc1 8087512 NHUPIQBEWGPLFG-UHFFFAOYSA-N 416.481 4.561 0 40 HJAB O=C(c1ccc(Br)s1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8265047 HZIOEQLBMSWALM-CYBMUJFWSA-N 408.317 4.649 0 40 HJAB Cc1ccc2nc(-c3ccc(SCC(=O)N4CCc5ccccc54)nc3)[nH]c2c1 8690280 KQVUGQHCVXZJBT-UHFFFAOYSA-N 400.507 4.615 0 40 HJAB aggregator COc1ccccc1CNC(=O)CSc1nc(-c2cccs2)nc2ccccc12 8981121 FJKLINNXOGPVLD-UHFFFAOYSA-N 421.547 4.775 0 40 HJAB CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc3c2=O)cc1 9855610 DPRMYNFLEVUTIS-UHFFFAOYSA-N 424.500 4.742 0 40 HJAB O=C(COc1ccc(Br)cc1)N(Cc1cccs1)c1ccccn1 11915035 ZMMSACUIGXVYRB-UHFFFAOYSA-N 403.301 4.518 0 40 HJAB CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(Br)cc2)cc1 11917110 AOVGGXFPSWIWPK-UHFFFAOYSA-N 402.248 4.540 0 40 HJAB Cc1ccc([C@@H](C)CCN2CCN(c3c(F)cccc3[C@@H](O)c3cccnc3)CC2)o1 12089605 PDANRJHWMXIYOU-BVZFJXPGSA-N 423.532 4.520 0 40 HJAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1 12556786 JURBLSXDTZNJSE-UHFFFAOYSA-N 415.424 4.835 0 40 HJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](N5CCCCC5)C(=O)[C@@]4(C)CC[C@H]32)C1 12660433 QZQARKHEFRUGSK-QORCOBNDSA-N 415.618 4.994 0 40 HJAB biogenic Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)c1 12674690 VBVBQRRVWHDZCD-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB CC[C@@H](OC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)C(=O)Nc1ccc(F)cc1 12872012 DZRJBVXSDGBLFQ-LJQANCHMSA-N 409.413 4.862 0 40 HJAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 14824661 MDQDBPUWGBCRDQ-UHFFFAOYSA-N 423.325 4.622 0 40 HJAB COc1cc(/C=C/C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc(OC)c1OC 15525236 OPKUKHDIOCUZIE-JXMROGBWSA-N 419.880 4.709 0 40 HJAB CC(C)c1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 16575899 CZHMEZKAEUCZNA-UHFFFAOYSA-N 414.571 4.772 0 40 HJAB Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)C4CCCCC4)cc3)C2=O)cc1 17093220 ZYZGTGKGYGZNDH-NRFANRHFSA-N 422.550 4.938 0 40 HJAB CC(C)c1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c(=O)[nH]1 19453141 OAWHWQXKCQHCEU-UHFFFAOYSA-N 421.444 4.817 0 40 HJAB CCOc1cc(CN[C@@H]2CN3CCC2CC3)ccc1OCc1ccccc1Cl 19922679 DEXPHIKNUGDTNX-OAQYLSRUSA-N 400.950 4.502 0 40 HJAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2)N2CCN(C)CC2)c1C 20192876 SJWVXNOEGXRROR-NRFANRHFSA-N 409.555 4.547 0 40 HJAB CN(Cc1ccc(Br)s1)C(=O)c1ccc(OCc2cccnc2)cc1 23114302 GIGDWEBTWABFOO-UHFFFAOYSA-N 417.328 4.757 0 40 HJAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(-n2cnc3ccccc32)cc1 23739550 KNPLDYCOGKFAAT-RUZDIDTESA-N 410.521 4.592 0 40 HJAB CCOc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)(C)C)cc2)cc1C 27741130 XZTZKKNNKKEOIT-UHFFFAOYSA-N 409.486 4.759 0 40 HJAB CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCCC2)cc1 28291394 FFVSTIWPBQSPFY-JOCHJYFZSA-N 418.537 4.657 0 40 HJAB O=C(NC1CC1)c1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 28687734 ZDDNZFKXGBUYOZ-UHFFFAOYSA-N 419.095 4.840 0 40 HJAB FC(F)(F)c1ccnc(Sc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)n1 29441244 BMMZFNUFMGXSKE-CQSZACIVSA-N 406.433 4.689 0 40 HJAB O=C(C1CCCC1)N1CCCN(c2nc(-c3ccsc3)nc3ccccc23)CC1 32826139 URSNULXAKZMARA-UHFFFAOYSA-N 406.555 4.587 0 40 HJAB COc1ccc(CNC(=O)c2cc(-c3sc(-c4ccc(F)cc4)nc3C)n[nH]2)cc1 38651929 PFYHXLFTAAKFQS-UHFFFAOYSA-N 422.485 4.586 0 40 HJAB COc1cccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)c1 46022252 ZBGOAMPKXWZNEU-UHFFFAOYSA-N 413.568 4.990 0 40 HJAB Cc1ccc(-c2nnc(Cc3nc(-c4ccc(Br)cc4)no3)o2)cc1F 49405235 RZWOFYKKASTNTE-UHFFFAOYSA-N 415.222 4.587 0 40 HJAB COc1ccc(C)cc1NC(=O)CN[C@@H](c1ccc2c(c1)CCC2)c1cccs1 57315474 GRQDNAIPRQVPEF-DEOSSOPVSA-N 406.551 4.872 0 40 HJAB CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC[C@H]3C(=O)Nc3nccs3)cc2C1 58779516 RYOKLJWBGKMFPV-GJZGRUSLSA-N 417.600 4.599 0 40 HJAB Cc1ccccc1C1(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)CCOCC1 65884799 BXYPPCJIKPPWCH-UHFFFAOYSA-N 401.934 4.670 0 40 HJAB COc1ccc(Cn2c(SCCc3ccccc3)nc3ccccc3c2=O)cc1 67258809 XPQWTJFDHCTFPE-UHFFFAOYSA-N 402.519 4.788 0 40 HJAB COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3cccc(C(C)C)c3)oc12 67293740 TXDSBRFIEKEYEU-TZZGGZJJSA-N 420.509 4.706 0 40 HJAB O=C(CCc1cccc(Cl)c1)N1CCC[C@@H](c2ccc(Nc3ncccn3)cn2)C1 72353411 KADVWLOHMJRZHQ-GOSISDBHSA-N 421.932 4.607 0 40 HJAB COc1cc2c(cc1CN1CCC[C@H]1c1cc(Nc3cnccn3)cc(C)n1)CCC2 72372634 FWHNUIHPXDVLFJ-QHCPKHFHSA-N 415.541 4.758 0 40 HJAB Cc1cnc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4ccc(C(C)C)cc4)CC3)o2)cn1 100156179 YDWMQJUEFOUPHD-MSEWRSJXSA-N 419.529 4.662 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1Cc1ccccc1 222826398 NENWEYNQHCHQKK-XZOQPEGZSA-N 404.583 4.929 0 40 HJAB COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1 222932013 JAIOHSZMQLDWAP-FCHUYYIVSA-N 406.555 4.509 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccncc2)c1C 222952952 PPNQUDSCDYIXNM-GOTSBHOMSA-N 419.598 4.716 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 223404492 CFLGGOSDTSCNRO-HXUWFJFHSA-N 418.940 4.744 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 223701874 YMFUUSMUOTTXED-XMMPIXPASA-N 408.586 4.878 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccc(C)cc3C)c2)cc1 223956969 ZSEZHHWHISNAGB-LJQANCHMSA-N 422.550 4.904 0 40 HJAB Cc1cc(C(=O)Nc2ccccc2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224002393 PJVCZERFWIMYGJ-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224194545 AXLKNBZVCRQPFC-UHFFFAOYSA-N 422.550 4.943 0 40 HJAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1 225507369 OEMPXYVQEWXAJD-QFIPXVFZSA-N 403.551 4.773 0 40 HJAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225708858 URSDJMSSYKEHRU-UHFFFAOYSA-N 404.557 4.877 0 40 HJAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)c1cccc(OCc2ccccc2)c1 238861932 KWCYGXYJGQPXOK-XMMPIXPASA-N 402.494 4.558 0 40 HJAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1OCc1ccc(Br)cc1F 261508174 QFGWGBDQJJOSHT-HOTGVXAUSA-N 402.304 4.941 0 40 HJAB CCOc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1 408573746 KGCYRULKCGMZCU-SFHVURJKSA-N 405.947 4.762 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408673574 SZNHKARMIUZAGS-MOXQZVSFSA-N 416.521 4.599 0 40 HJAB CN(C(=O)c1cccc(OCc2cccs2)c1)[C@@H]1CCCN(c2ccccc2)C1=O 522357043 RKWCLNOLUHFPKT-JOCHJYFZSA-N 420.534 4.595 0 40 HJAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C(C)(C)C)cc2)N2C(=O)CCSC2=N1 702241 FKWKIGKJIMAZKW-HXUWFJFHSA-N 414.571 4.834 0 40 HJAB CC(C)COC(=O)Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 724194 OCJTWNHXUMFICZ-UHFFFAOYSA-N 417.314 4.999 0 40 HJAB O=C(O[C@H](C(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1)c1cccs1 1381190 PWBDNQKKPQBVFY-SFHVURJKSA-N 403.862 4.755 0 40 HJAB O=C(NCc1ccc2c(c1)OCO2)c1sc2cc(OC(F)F)ccc2c1Cl 2791197 FWYVUTWNTRSEOK-UHFFFAOYSA-N 411.813 4.815 0 40 HJAB CCc1cccc(/N=c2\oc3c(OC)cccc3cc2C(=O)Nc2nccs2)c1 2951392 JNUWFSNIGVAWBC-FLFQWRMESA-N 405.479 4.945 0 40 HJAB COc1cccc(CC(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)c1 3415567 WXRCWECOFRKAMW-XMMPIXPASA-N 408.425 4.728 0 40 HJAB COCCn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1-c1cccc(C)c1 4444631 PBADKBVNUONWMN-UHFFFAOYSA-N 421.566 4.754 0 40 HJAB CCOc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2OCC)c1 4832067 YGTXATDXQCPBRC-UHFFFAOYSA-N 404.466 4.989 0 40 HJAB CC1CCC(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 4872273 OEXLCNXFRAGYBA-DTMFMLMCSA-N 423.601 4.716 0 40 HJAB COc1ccc(C(=O)N(Cc2cccnc2)c2nc3cc(OC)ccc3s2)cc1 5142285 BRCKLGNOMXSYQV-UHFFFAOYSA-N 405.479 4.556 0 40 HJAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 6732360 AIPDELJBFFTQGS-VWLOTQADSA-N 419.908 4.910 0 40 HJAB CC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 7928824 NXALYAKHCFYZQJ-AWEZNQCLSA-N 416.315 4.705 0 40 HJAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc21 8840769 CKLFSXFUFJPFHL-UHFFFAOYSA-N 400.544 4.690 0 40 HJAB Cc1nnc(SCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)n1C1CC1 9057935 REFKLOFNPDNOIS-HXUWFJFHSA-N 412.946 4.573 0 40 HJAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(N2CCCCC2=O)cc1 9318294 GABSYVUMMZJAKJ-UHFFFAOYSA-N 416.506 4.832 0 40 HJAB COc1cccc(NC(=O)[C@H](Nc2cccc(N3CCCC3=O)c2)c2ccccc2)c1 9547867 LBZCOYNCPBZRCT-XMMPIXPASA-N 415.493 4.614 0 40 HJAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc2c(s1)-c1ccccc1OC2 9678820 NRICQMZHAOQKMZ-UHFFFAOYSA-N 415.478 4.548 0 40 HJAB COc1ccc(C(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)cc1 10453259 YBOHGBKZKGOFIG-UHFFFAOYSA-N 415.312 4.890 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 10777248 NDZRUQWUXGMAFP-UHFFFAOYSA-N 422.435 4.994 0 40 HJAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3ccc4nnc(-c5ccccn5)n4n3)cc2)c1 11665523 NRSAAVHZXYNKTE-UHFFFAOYSA-N 420.476 4.722 0 40 HJAB Cc1ccc(-c2ccccc2CC2(C(=O)NC[C@@H]3CCCO3)CCOCC2)c(C)c1 12231567 LUAUNOCQRYJOAF-QFIPXVFZSA-N 407.554 4.605 0 40 HJAB C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1 12239552 XUXWOQFLZLKUOM-KCQAQPDRSA-N 408.468 4.755 0 40 HJAB O=C1C[C@@H](c2ccccc2)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 12376144 UAUXFRFNBXBZAZ-HNNXBMFYSA-N 403.912 4.708 0 40 HJAB CN(Cc1cccs1)C(=O)CSc1ncc(-c2ccc(Br)cc2)[nH]1 12540278 MSLKFZAINDOABS-UHFFFAOYSA-N 422.373 4.651 0 40 HJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nccn1Cc1ccccc1 12550843 XRHUHDGMMJOUIX-MRXNPFEDSA-N 422.579 4.853 0 40 HJAB Cc1ccc(-c2csc3ncn(CCC(=O)N(C)Cc4cccs4)c(=O)c23)cc1 12849640 JSYOIBVBTLZBBA-UHFFFAOYSA-N 423.563 4.544 0 40 HJAB COc1ccc(CNC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1OC 14121541 QLEYDIBNDQYCQA-UHFFFAOYSA-N 419.506 4.548 0 40 HJAB C[C@H]1CC(=O)c2c(OCC(=O)N[C@H](C)c3ccc(Br)cc3)ccc(F)c21 14369385 CKDWRKZVPVJEHW-NWDGAFQWSA-N 420.278 4.534 0 40 HJAB O=C(Nc1nc(-c2cccs2)cs1)C1CCN(c2nc3ccccc3o2)CC1 14772632 FOCBHIAAKUOIJE-UHFFFAOYSA-N 410.524 4.868 0 40 HJAB CC(=O)N1N=C(c2ccc(C)cc2)Sc2c1nc(-c1ccc(C)cc1)n2C(C)=O 16777598 XLCPPGRQWPVULS-UHFFFAOYSA-N 404.495 4.647 0 40 HJAB CC[C@@H](NC(=O)c1ccc(Cn2nc(C(F)(F)F)cc2C)o1)c1ccc(OC)cc1 19500511 SMRRBISHLCEZSJ-QGZVFWFLSA-N 421.419 4.741 0 40 HJAB Cc1noc(C)c1Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)o1 19581027 LSRWBJPCMAHTSQ-QGZVFWFLSA-N 412.461 4.546 0 40 HJAB COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2cc(C3CC3)nc3ccccc23)cc1 19663512 NWIQRNGTEQFWOF-RUZDIDTESA-N 424.504 4.632 0 40 HJAB CC(=O)Nc1sc2c(c1[C@@H](c1ccccc1Cl)N1CCOCC1)CCCC2 20192292 GWIXXGVQBHXXAE-HXUWFJFHSA-N 404.963 4.660 0 40 HJAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 20451151 QRLXHQHXXZAWJR-UHFFFAOYSA-N 422.532 4.755 0 40 HJAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(OC3CCCC3)c1)SCC(O)=N2 20735471 KPLYQFAPYJWZCV-HXUWFJFHSA-N 421.526 4.716 0 40 HJAB COc1ccc([C@H](C)NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1OC 22245586 TYLJDWSARCBBAW-AWEZNQCLSA-N 411.527 4.728 0 40 HJAB CCOc1ccc(-c2nc(C(=O)Nc3cccc(Cn4ccnc4)c3)cs2)cc1 25181670 RUORBLNAJREDJV-UHFFFAOYSA-N 404.495 4.706 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2ccc(OC)c(Cl)c2)N2CCCCCC2)cc1 27582990 YNEWKIOOUUAMSY-OAQYLSRUSA-N 416.949 4.704 0 40 HJAB biogenic CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCOCC1 28292071 ZERQPOPCOBHWPU-HSZRJFAPSA-N 424.585 4.576 0 40 HJAB CCc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N2CCCC2)cc1 28292701 VZPUGZXNGWKZJH-FQEVSTJZSA-N 424.928 4.576 0 40 HJAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)/C=C/c1csc(C)n1 32809537 BAMWQDGXDKMCNC-SOFGYWHQSA-N 402.497 4.910 0 40 HJAB Cc1ccc(NC(=O)CCc2cccc(F)c2)cc1NS(=O)(=O)c1ccccc1 32930141 SAOUAPMMZMDSFJ-UHFFFAOYSA-N 412.486 4.506 0 40 HJAB COc1ccc(-n2nc(C)c3c(C(=O)Nc4cccc(C(C)=O)c4)cc(C)nc32)cc1 36616531 ZGIQMYLFVNBNOP-UHFFFAOYSA-N 414.465 4.501 0 40 HJAB CC(C)Oc1cccc(CNC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 39773209 NBEBRVREAPQUOQ-UHFFFAOYSA-N 400.950 4.656 0 40 HJAB C[C@@H](Nc1nn2cc(-c3ccccc3)nc2s1)c1ccc(NC(=O)C2CC2)cc1 40067621 XWGNRTOGTTUPPB-CQSZACIVSA-N 403.511 4.979 0 40 HJAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 44408227 SPLRYQBIIXAWSV-XYJFISCASA-N 415.452 4.563 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2ccsc2c1=O 57426282 SVPCZWIEEADRQD-UHFFFAOYSA-N 415.584 4.968 0 40 HJAB CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c1 58022983 ATPHMHJZNUCHTF-UHFFFAOYSA-N 406.364 4.629 0 40 HJAB FC(F)(F)c1cnc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)c(Cl)c1 58428308 LQJOMNBEDCWHCY-UHFFFAOYSA-N 414.811 4.643 0 40 HJAB CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1[C@@H](C)CC 67335146 SNJJMORDXJRWAC-ZDUSSCGKSA-N 401.557 4.722 0 40 HJAB Nc1cc(Cl)c(NC(=O)c2ccc(Br)cc2)cc1N1CCCCC1 72229320 UNBXRCKBWGVKJP-UHFFFAOYSA-N 408.727 4.927 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(F)c1 72330502 OTUMIUCTZRIJTC-YKSBVNFPSA-N 421.491 4.743 0 40 HJAB Cc1ccccc1-c1cncc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)n1 72359837 INOMZZNRMXXZAG-UHFFFAOYSA-N 403.501 4.930 0 40 HJAB Cc1ccc(OC[C@@H](O)Cn2c(Cc3ccccc3C)nc3ccccc32)cc1C 82087059 KDXLERVGXGGSHD-QFIPXVFZSA-N 400.522 4.992 0 40 HJAB O=C(Nc1cc2c(cc1Cl)OCCCO2)N[C@H]1CCCOc2ccc(F)cc21 84459393 TYUGGZKMDMEUNG-HNNXBMFYSA-N 406.841 4.676 0 40 HJAB Cc1ccccc1-c1nc(C)c(CNC(=O)c2ccc(Cn3ccnc3)cc2)s1 96102826 ZFEAOQNJHVFPEI-UHFFFAOYSA-N 402.523 4.602 0 40 HJAB CCn1cc(Br)c(CN(C)C(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)n1 102632786 NKPHXIGQEKHROG-VWQZVHOKSA-N 408.384 4.621 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)cc1 107851959 ASUOXWRHZAOZLM-UHFFFAOYSA-N 410.543 4.557 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 222459240 SYMROOQSNUQEBK-QFIPXVFZSA-N 412.599 4.560 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222827288 FPBJDROALIBLGO-KRWDZBQOSA-N 400.950 4.605 0 40 HJAB C[C@@H](NC(=O)c1ccc(I)cc1)c1ccc2c(c1)CCCC2 222909217 JKJJAHDEIHMAFZ-CYBMUJFWSA-N 405.279 4.661 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 223269525 IDJXTSBGAAQORD-QHCPKHFHSA-N 408.586 4.876 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 223749404 LBBKJATYNILBMS-HXUWFJFHSA-N 406.570 4.658 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 224351596 RTOVGLRTQXKPHF-INIZCTEOSA-N 421.368 4.725 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl 225675930 KXSZFSPJPSRUAX-INIZCTEOSA-N 421.368 4.725 0 40 HJAB Fc1ccc(CCCNC(=S)Nc2nc(Cl)cc(Oc3ccccc3)n2)cc1 225970031 OEWLKLLOVBLKFR-UHFFFAOYSA-N 416.909 4.981 0 40 HJAB CC(=O)N1CCCC[C@@H]2N(C(=O)C(C)(c3ccccc3)c3ccccc3)CCC[C@@]21C 257209189 BPICHSPZMBUCIT-AHWVRZQESA-N 418.581 4.775 0 40 HJAB CCCCN(CCCC)CN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 408726610 MZNRTZWHPHLLSX-XMHGGMMESA-N 406.548 4.600 0 40 HJAB O=C(Cc1noc2ccccc12)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 511020907 ZBOMSIGLFKVZNQ-QGZVFWFLSA-N 422.529 4.672 0 40 HJAB Cc1ccc([C@@H](C)N(C)C(=O)CSCC(=O)N(C)[C@H](C)c2ccc(C)cc2)cc1 534520907 BOAMSAGMTMWAGM-WOJBJXKFSA-N 412.599 4.776 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1Cl 628832 MKZPNLDLEFOEHT-UHFFFAOYSA-N 400.205 4.822 0 40 HJAB CC(C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 674856 FYVPFNWDTUUMHG-TZMCWYRMSA-N 421.250 4.988 0 40 HJAB COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCCCCC4)c3N2)c1 884176 DIJVYYCCNRBEMD-ROUUACIJSA-N 422.451 4.568 0 40 HJAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCCO4)coc2cc1OC(=O)N(C)C 1321572 SLZOGMKDOZJWTJ-UHFFFAOYSA-N 423.465 4.634 0 40 HJAB biogenic COC(=O)c1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 2122093 HXTJUOXOWVEIMM-UHFFFAOYSA-N 413.429 4.603 0 40 HJAB biogenic O=C(CSc1ccc(Br)cc1)Nc1c(F)c(F)c(F)c(F)c1F 2143967 FGSGMAFEVGQHBC-UHFFFAOYSA-N 412.177 4.875 0 40 HJAB CCC[C@@H]1Cc2c(sc3nc(SCC(=O)c4ccc(F)cc4)nc(N)c23)CO1 2235560 LKWJCIJKLVVFOP-CYBMUJFWSA-N 417.531 4.629 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)c2cc(C)n(C)c2C)nc2ccccc2c1=O 2621507 QCNIUIFHVIPJCZ-UHFFFAOYSA-N 417.534 4.624 0 40 HJAB COc1ccc(-n2c(S[C@H]3CCCCC3=O)nnc2-c2ccccc2OC)cc1 2625934 RZIPTUXJRTVRGR-FQEVSTJZSA-N 409.511 4.555 0 40 HJAB CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 2704103 CBKIBTCKQFVDLH-OAQYLSRUSA-N 414.486 4.968 0 40 HJAB O=C(COC(=O)c1ccccc1Br)Nc1ccc(SC(F)F)cc1 3244651 XTQGFMNGGLYJBS-UHFFFAOYSA-N 416.243 4.559 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1c[nH]c2ccccc12 3250117 KLTCMWSNLMWENH-AWEZNQCLSA-N 424.551 4.642 0 40 HJAB O=c1[nH]c(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)nc2ccccc12 3345846 XOZOSUYUGUOAGB-UHFFFAOYSA-N 423.501 4.734 0 40 HJAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 3417812 CBDPNGPJWAGVQJ-IBGZPJMESA-N 417.505 4.618 0 40 HJAB COc1ccc([C@H]2N(c3ccccc3)N=C(C(C)=O)N2c2ccc(C)cc2)cc1OC 3672721 CQZXFOWTWARRBW-RUZDIDTESA-N 415.493 4.940 0 40 HJAB O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1C[C@H]1CCCO1 5129781 BSFKNVXHFYAZRK-CYBMUJFWSA-N 404.894 4.660 0 40 HJAB O=C(CSc1nncn1-c1ccccc1)N(Cc1ccc(F)cc1)C1CCCCC1 5167926 DIXSSRVBWGUPHA-UHFFFAOYSA-N 424.545 4.860 0 40 HJAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1cc2ccccc2o1 6252823 XREDVAMODSZKBI-UHFFFAOYSA-N 409.250 4.565 0 40 HJAB Cc1nc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2s1 6832383 PMMKFRAOJVXOHP-OAHLLOKOSA-N 413.930 4.749 0 40 HJAB CCCN1C(=O)c2ccccc2N[C@H]1c1cn(Cc2ccccc2)nc1-c1cccnc1 7886677 WKUOCDDLCAHKJX-RUZDIDTESA-N 423.520 4.970 0 40 HJAB COc1ccc(C2=NN(C(=O)CNc3cc(F)ccc3C)[C@H](c3ccco3)C2)cc1 7972798 CBHJZEAMBFVLOE-NRFANRHFSA-N 407.445 4.526 0 40 HJAB Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(Cl)c2C)c1 8417645 ITXFDLPLJRMIOU-UHFFFAOYSA-N 416.905 4.556 0 40 HJAB CC(C)Cn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccccc1F 8651405 QIWSNCRWQCXHEC-CQSZACIVSA-N 423.517 4.830 0 40 HJAB CCCCN1C[C@H](c2nc3ccccc3n2CCOc2cccc(C)c2C)CC1=O 8844975 COHXBAXJXYUIMG-HXUWFJFHSA-N 405.542 4.848 0 40 HJAB COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(C)c(C)c2)o1 8883332 GTWXQKVIFTUNBI-UHFFFAOYSA-N 420.490 4.674 0 40 HJAB Nc1c(C(=O)Nc2ccccc2Cl)c2ccccn2c1C(=O)c1ccc(F)cc1 9316925 OCLNALAWRVHDNG-UHFFFAOYSA-N 407.832 4.797 0 40 HJAB O=C(Nc1cccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)c1)C1CC1 9721346 BDYKASOFPWBIPU-UHFFFAOYSA-N 403.507 4.952 0 40 HJAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)c3cc(C)n(C4CC4)c3C)o2)cc1 11645423 XXJATMYKTGORHT-UHFFFAOYSA-N 406.482 4.762 0 40 HJAB Cc1cc(C)cc(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1 11692530 TZXSVETXSZTVFR-UHFFFAOYSA-N 403.482 4.597 0 40 HJAB Cc1ccc([C@H](C)CCN2CCN(c3c(F)cccc3[C@H](O)c3cccnc3)CC2)o1 12089608 PDANRJHWMXIYOU-IQGLISFBSA-N 423.532 4.520 0 40 HJAB COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCCO4)=NN21 12561677 DJWBECKUPRJVFP-CJFMBICVSA-N 414.461 4.709 0 40 HJAB COc1ccc([C@H](CNC(=O)c2cc(F)c(Cl)cc2Cl)N2CCCC2)cc1 12739891 RVAUQBAHZAJSKT-IBGZPJMESA-N 411.304 4.708 0 40 HJAB O=C(COc1ccc(F)cc1Cl)N1CCC(c2nc3ccccc3s2)CC1 12914285 AFTUDAMFVLKYBN-UHFFFAOYSA-N 404.894 4.874 0 40 HJAB CCOc1c(Cl)cc(/C=C2\N=C(c3ccccc3OC(F)F)OC2=O)cc1OC 13072621 DHWBWGBHSKEIGL-ZROIWOOFSA-N 423.799 4.693 0 40 HJAB CC(C)c1ccc(CC(=O)Nc2nnc(-c3ccc(Br)s3)o2)cc1 13667293 QOEMXDFUKSXZNX-UHFFFAOYSA-N 406.305 4.865 0 40 HJAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1C 13722609 RTGFKZCPERHZIM-UHFFFAOYSA-N 410.539 4.908 0 40 HJAB COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1COc1ccc(-c2ccccc2)cc1 13961504 KZNCPDBPSXLOOG-JTHBVZDNSA-N 421.518 4.729 0 40 HJAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCc2sccc2[C@H]1c1ccccc1 14201002 NMINSGQGCLCTLF-XMMPIXPASA-N 421.518 4.512 0 40 HJAB O=C(CCCSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCOCC1 14201366 OWAXRALSCWMRSU-UHFFFAOYSA-N 408.523 4.740 0 40 HJAB CCc1cccc(N2C(=O)N(Cc3ccccc3C)c3ccccc3S2(=O)=O)c1 15827243 YCGFVOLWKPVXBV-UHFFFAOYSA-N 406.507 4.893 0 40 HJAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccc2ccccc2c1 16545790 VSVJYCBQMROSLA-UHFFFAOYSA-N 419.289 4.972 0 40 HJAB Cc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 19946346 UFOUDUUHLUIENU-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1Cl 20152325 CBXHYPJNPFUUFP-UHFFFAOYSA-N 414.914 4.836 0 40 HJAB O=C(NC1CCCCCCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20490192 HVSOSKNCZDDAKT-UHFFFAOYSA-N 420.962 4.984 0 40 HJAB Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 20634851 FTKMUJWVOCTNJX-INIZCTEOSA-N 413.456 4.832 0 40 HJAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NCc2cccs2)c1 20910495 YLGJYZIFJWGRRB-UHFFFAOYSA-N 419.506 4.548 0 40 HJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1C 22522892 ICYYMTLWQVGHKP-GOSISDBHSA-N 424.522 4.510 0 40 HJAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 23623309 QCMFIPIHUYHQLS-UHFFFAOYSA-N 414.914 4.956 0 40 HJAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)CCCOc1ccc(C(C)(C)C)cc1 24836024 UMEDLZFJOVQYNY-UWJYYQICSA-N 408.542 4.537 0 40 HJAB COC(=O)c1ccoc1CSc1nc2ccccc2c(=O)n1-c1ccc(C)c(F)c1 25166235 BFNJRWBMOWWBKB-UHFFFAOYSA-N 424.453 4.505 0 40 HJAB CN(Cc1ccccc1Br)C(=O)c1ccccc1C(=O)c1ccccc1 25351921 RBCOADZUBCJYDI-UHFFFAOYSA-N 408.295 4.952 0 40 HJAB C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)n1cccn1 27127254 WSSXOHMSRMSWMZ-LBPRGKRZSA-N 403.269 4.642 0 40 HJAB CCN(CC)C(=O)COc1ccc(NC(=O)CCCc2cccs2)cc1Cl 31955551 RRIHFRZFNIBIPR-UHFFFAOYSA-N 408.951 4.610 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(Cl)c(OC)c(Cl)c2)c(OC)c1 32747576 SJRYRYYUEHWHLW-KRWDZBQOSA-N 410.297 4.997 0 40 HJAB CC(C)C[C@H](C)n1nccc1NC(=O)c1csc(COc2ccc(F)cc2)n1 36395641 DKOBGTADABYYSF-AWEZNQCLSA-N 402.495 4.917 0 40 HJAB CCc1cccc2c(/C=C3/C(=O)N(CC)C(=S)N3C)cn(Cc3ccccc3)c12 39556823 OJNFBLVJLNRZPC-STZFKDTASA-N 403.551 4.672 0 40 HJAB CCSc1nnc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)s1 40128583 UYOFRGHYRDBPPX-UHFFFAOYSA-N 416.576 4.588 0 40 HJAB Cc1cc(Br)oc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 40140409 PJOGXOVDSBAOHF-LBPRGKRZSA-N 421.316 4.786 0 40 HJAB Cc1c([C@@H](C)NC(=O)CCOc2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 48326236 KJYVUIDJXZHQHY-OAHLLOKOSA-N 417.431 4.846 0 40 HJAB Cc1ccc(COc2coc(CN3CCN(c4cccc(Cl)c4)CC3)cc2=O)cc1 56949880 ORBZFESMSDJIID-UHFFFAOYSA-N 424.928 4.503 0 40 HJAB CCN(CC)C(=O)c1ccc(NC(=O)[C@H](c2ccccc2)N2CCCC2)cc1Cl 58379588 APSIEDJEPMCQDZ-NRFANRHFSA-N 413.949 4.598 0 40 HJAB COc1cc(-c2noc(CCCCCN[C@@H](C)CCc3ccccc3)n2)ccc1O 95407537 JLAOKTJRJVTTJN-SFHVURJKSA-N 409.530 4.775 0 40 HJAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)cc1 95457262 RSDJUUSLMFAHSC-QRWLVFNGSA-N 424.488 4.649 0 40 HJAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OC 106708752 ACUFANCGHQUXQG-YVLHZVERSA-N 403.887 4.902 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219326289 INOQOXMFIJNRIK-KRWDZBQOSA-N 420.296 4.859 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 223135112 BQKPMFAINOYRLL-OAQYLSRUSA-N 408.586 4.824 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 223141810 AOOHHQCQXNOBEL-GOSISDBHSA-N 400.950 4.525 0 40 HJAB COc1ccc2cc(S(=O)(=O)N[C@H]3CC(C)(C)Oc4cc(C)ccc43)ccc2c1 223708915 RKYNWYWNMRXCQE-NRFANRHFSA-N 411.523 4.738 0 40 HJAB CN(c1cccc(C(=O)Nc2ccc(F)cc2)c1)S(=O)(=O)c1ccc(Cl)cc1 224269683 AQBGHEMKFCQQAI-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccccc1 224364296 QJWOKEHIUOHRJP-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)C(C)C)ccc2Cl)c1 225200913 JNJFZMRCJYQMQI-HNNXBMFYSA-N 408.951 4.532 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 225699872 HVCBDWYLMTZHLG-HXUWFJFHSA-N 418.990 4.764 0 40 HJAB O=C(NCCNc1ccnc2cc(Cl)ccc12)c1cc(-c2ccc(F)cc2)on1 225900728 YKQYWHFVPCGBNG-UHFFFAOYSA-N 410.836 4.524 0 40 HJAB CC(C)COc1ccc(NC(=O)C2(C)COC(C(C)C)OC2)cc1C(F)(F)F 225953749 DPNFVQTZZCUKRJ-UHFFFAOYSA-N 403.441 4.714 0 40 HJAB COc1ccc(CCN(CC(=O)O)C(=O)c2ccccc2Oc2ccc(C)cc2)cc1 257222808 DUTNLLFGHINKCK-UHFFFAOYSA-N 419.477 4.565 0 40 HJAB O=C(O)c1cccc(Cl)c1OCC(=O)N(Cc1ccccc1)Cc1ccccc1 257232162 GJRGPLJKYVRBLZ-UHFFFAOYSA-N 409.869 4.646 0 40 HJAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(F)cc(F)c2)C1 257236495 HCLJPTSBOXGJFL-VWPQPMDRSA-N 407.432 4.608 0 40 HJAB CNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)CC(C)(C)C)CC1 257272905 NEIKHRNCQFTVFX-UHFFFAOYSA-N 424.560 4.826 0 40 HJAB CCn1c(Cc2cccc3ccccc23)nnc1S[C@H](C)C(=O)Nc1nccs1 408560679 NGSTYVDBVIDJQO-CQSZACIVSA-N 423.567 4.618 0 40 HJAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 408563742 WZBXUZPNFWMUQP-UHFFFAOYSA-N 416.330 4.668 0 40 HJAB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)N(C)C1=S 409033905 GAWSDKKABBPETR-BOPFTXTBSA-N 421.349 4.992 0 40 HJAB COc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)c1ccco1 409056406 RFDAKUBSXZTREZ-LFIBNONCSA-N 423.808 4.505 0 40 HJAB CC1(C)C[C@@H]2CN(C(=O)c3cccc(C(F)(F)F)n3)CC[C@@H]2N1c1cccc(F)c1 2037988526 RAZLXYSCKGMXKS-KDOFPFPSSA-N 421.438 4.759 0 40 HJAB CCCCCc1cc(=O)oc2c(C(=O)[C@@H](C)CC)c3c(c(O)c12)C[C@@H](O)C(C)(C)O3 2332242471 ULRVFRRDAPOETF-XJKSGUPXSA-N 416.514 4.535 0 40 HJAB COc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)Nc2ccc(C)cc2)cc1 727388 RXPZOJUSRSOVDG-XQNSMLJCSA-N 400.478 4.722 0 40 HJAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)cc1 877961 RZQDWZUJDSIRDS-UHFFFAOYSA-N 400.507 4.974 0 40 HJAB CCC(=O)Nc1ccc(NC(=O)CSc2nc3cc(OC)ccc3cc2C)cc1C 932993 CVUJTVYSTZQBLV-UHFFFAOYSA-N 423.538 4.940 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2nc(-c3ccccc3)nc2N1 956258 KZHLFVXTUGGOEY-HXUWFJFHSA-N 413.506 4.934 0 40 HJAB O=C(Nc1cccc(OC(F)F)c1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 1050555 WTXLUKZZJMONCJ-INIZCTEOSA-N 424.709 4.750 0 40 HJAB Cc1cccc2cc(CN(Cc3ccco3)C(=S)NC3CCCCC3)c(=O)[nH]c12 1224274 ARLXQVOMNZGHHI-UHFFFAOYSA-N 409.555 4.639 0 40 HJAB Cc1ccc2cc(-c3nc4ccc(Cl)cn4c3NC[C@H]3CCCO3)c(=O)[nH]c2c1C 1330174 LSMAYXHBPWLQOP-QGZVFWFLSA-N 422.916 4.704 0 40 HJAB Cc1cc(C)c(S(=O)(=O)c2cccc(Br)c2C)c(OCC(C)C)n1 1392048 DQNDRWDPQMOMGV-UHFFFAOYSA-N 412.349 4.637 0 40 HJAB Cc1cc(OCC(=O)c2c(C)n(C)c3ccccc23)c2c3c(c(=O)oc2c1)CCC3 2094771 WQDXEAKDGDEVCS-UHFFFAOYSA-N 401.462 4.652 0 40 HJAB biogenic CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(C)(C)C)cc1 2424863 RHDVSOHUEGTUTM-JOCHJYFZSA-N 418.537 4.587 0 40 HJAB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc[nH]1 2623224 MDEDGJPJOQRTML-UHFFFAOYSA-N 421.547 4.629 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1 2638419 ZTUYNMPCFZFULI-UHFFFAOYSA-N 423.469 4.964 0 40 HJAB CCN(C(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C)c1ccccc1 2925079 HEXWUSSWJRVDAJ-UHFFFAOYSA-N 415.584 4.649 0 40 HJAB COc1cccc(-n2c(SCCOc3ccc(F)cc3)nc3ccccc3c2=O)c1 3292982 QSRAMGQWGGKGFU-UHFFFAOYSA-N 422.481 4.705 0 40 HJAB Cc1ccc(C)c(Cn2cc(SCC(=O)NC[C@@H]3CCCO3)c3ccccc32)c1 4060872 VIMGTOXFNIDOMW-FQEVSTJZSA-N 408.567 4.694 0 40 HJAB CN(C)CCCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(F)cc2s1 4359629 HNRRHOFGKFFIMM-UHFFFAOYSA-N 414.531 4.644 0 40 HJAB Cc1ccc(Cn2c(SCc3ccc4c(c3)OCO4)nc3ccccc3c2=O)cc1 4411776 AGIRJRSUHCRECG-UHFFFAOYSA-N 416.502 4.774 0 40 HJAB CCOc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 4601954 FYOWOFQSENCZEI-UHFFFAOYSA-N 418.493 4.698 0 40 HJAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1c(Cl)cccc1Cl 5904343 LSMCIWREYPBNIC-UHFFFAOYSA-N 405.281 4.979 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Sc4nncn4C)cc3)sc2c1 6063431 HFEZWROAPQDODK-CYBMUJFWSA-N 409.540 4.520 0 40 HJAB COc1ccc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(OC)c1 6083036 AEDIQMYZGMLTQO-DEOSSOPVSA-N 415.445 4.966 0 40 HJAB Cc1ccc(CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)cc3)n2C)cc1 6300185 KXIATOJZXVACSS-AWEZNQCLSA-N 400.935 4.560 0 40 HJAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)C(C)(C)C 6546023 APIHBCZTZFGJOW-UHFFFAOYSA-N 411.527 4.979 0 40 HJAB CSc1nc2n(n1)[C@@H](c1ccccc1Cl)C(C(=O)Nc1ccccc1)=C(C)N2 6728674 VBBGKPWYKIZHRM-KRWDZBQOSA-N 411.918 4.581 0 40 HJAB Cc1c(CC(=O)NCCc2ccsc2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 6757786 YESAJIRPGUTFFT-UHFFFAOYSA-N 421.518 4.689 0 40 HJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 6953175 IDFZRXUJLLXLBD-CQSZACIVSA-N 400.544 4.647 0 40 HJAB CCc1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c1 7615991 XNXAJODVOMNTKM-UHFFFAOYSA-N 417.896 4.918 0 40 HJAB COc1cccc(NC(=O)[C@@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 7848218 IDOYZBQUAXQXFI-DEOSSOPVSA-N 415.493 4.614 0 40 HJAB CCn1c(-c2ccccc2)nn(CN2CCC[C@H]2c2ccc(OC)cc2OC)c1=S 8151281 LMFCTTJBBAJHLW-FQEVSTJZSA-N 424.570 4.913 0 40 HJAB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)cc2)cc1 8477510 ZPIPOSIEPUQCNW-XSFVSMFZSA-N 406.507 4.551 0 40 HJAB COc1ccc(Nc2nc(COC(=O)CCC(=O)c3ccc(C)cc3)cs2)cc1 8929469 ADDBXFHSRBRPQE-UHFFFAOYSA-N 410.495 4.910 0 40 HJAB O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCCC1=CCCCC1)c1ccccc1 9071559 MKDJXVHMDXTYCZ-GOSISDBHSA-N 409.555 4.822 0 40 HJAB CC[C@@H](C)Nc1nc(Nc2cc(OC)ccc2OC)c2cnn(-c3ccccc3)c2n1 9573593 CTUVQDCPGWRLDG-OAHLLOKOSA-N 418.501 4.787 0 40 HJAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(F)c(F)c1F 9645281 BJOVJOGETXJDQX-LLVKDONJSA-N 418.444 4.681 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)Cc2ccc(Cl)cc2)c1 10186550 RHTIFRZBAHFHHX-UHFFFAOYSA-N 421.859 4.668 0 40 HJAB Cc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 11851844 ICOBNORPOXIMDK-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CC(C)C(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1 11915075 ANCZYSLZUQPMCQ-UHFFFAOYSA-N 408.523 4.677 0 40 HJAB O=C(CSc1nnc(COc2ccccc2)o1)Nc1ccc(Cl)c(Cl)c1 12249354 RGMPLJXRTSAJKS-UHFFFAOYSA-N 410.282 4.686 0 40 HJAB O=C1CCSc2ccc(C(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)cc2N1 12547569 DMIOZAQOCJKZQF-UHFFFAOYSA-N 420.519 4.749 0 40 HJAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)COc1ccc2ccccc2c1 12655038 PLNUXRPLLRGBIT-UHFFFAOYSA-N 407.857 4.581 0 40 HJAB CCC[C@H](C)NC(=O)CSc1nnc(-c2ccccc2OC)n1C1CCCCC1 12743726 HLAXFIKLNGLZIK-INIZCTEOSA-N 416.591 4.856 0 40 HJAB COc1ccc(NC(=O)CN(C)C(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 12861951 MKYLNOMZHVSQFI-UHFFFAOYSA-N 423.321 4.927 0 40 HJAB O=C(Nc1ccc(F)cc1Cl)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12973775 ZANSTOYFGAHSSU-JRUMVTRASA-N 404.913 4.625 0 40 HJAB Cc1ccc([C@@H](C)C(=O)NCc2ccc(-c3ncncc3-c3cc(C)no3)cc2)cc1 19136382 UVWFQXVZQYKFQB-GOSISDBHSA-N 412.493 4.835 0 40 HJAB CC(C)Nc1ncc(-c2ccccn2)c(C2CCN(C(=O)C3CCCCC3)CC2)n1 19450257 ROQFAISLUZQZPN-UHFFFAOYSA-N 407.562 4.645 0 40 HJAB COC(=O)Cn1cc(CN(Cc2cccnc2)Cc2ccccc2F)c2ccccc21 19592511 VETYJVNMYQZJDW-UHFFFAOYSA-N 417.484 4.551 0 40 HJAB COC(C)(C)C(=O)N1CCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 19688492 SSUWWVYPPNCQBO-IBGZPJMESA-N 406.448 4.780 0 40 HJAB O=C1Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccc(Br)cc2)o1 20739698 CFNXNQCVGNRUPP-HNNXBMFYSA-N 416.300 4.545 0 40 HJAB CSc1ccc(C(=O)COC(=O)c2ccccc2CSC2=NCCS2)cc1 21867197 ICAZZCJTYKORAC-UHFFFAOYSA-N 417.577 4.784 0 40 HJAB O=C(c1cccc(OCc2ccccc2Cl)c1)N1CCN(Cc2ccccc2)CC1 22258562 HZGVAEJPQCDBMJ-UHFFFAOYSA-N 420.940 4.877 0 40 HJAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 22326392 BUAIARWWGYEFBO-IBGZPJMESA-N 422.456 4.548 0 40 HJAB COc1ccc(-c2nc(CSc3nc(O)cc(-c4cccnc4)n3)c(C)o2)cc1 23126201 ZAKIRQWQZQNUHH-UHFFFAOYSA-N 406.467 4.509 0 40 HJAB O=C(Nc1ccccc1NC(=O)c1cc2ccccc2oc1=O)c1ccc(Cl)cc1 24644480 QXJCFNQECIDNET-UHFFFAOYSA-N 418.836 4.951 0 40 HJAB O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCC[C@H]1c1ccc(F)cc1 25325959 FGXBZXGABJFNBX-QHCPKHFHSA-N 413.452 4.502 0 40 HJAB O=C(NCc1ccccc1C(F)(F)F)c1ccn(COc2ccccc2Cl)n1 27972499 ZRQCYKXIBHUYOA-UHFFFAOYSA-N 409.795 4.522 0 40 HJAB COc1ccc2c(c1)CCc1cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)sc1-2 32666050 BOZLKTWXNKGUCM-UHFFFAOYSA-N 418.518 4.901 0 40 HJAB COc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1OCc1cccnc1 32832240 UZXDOMFXHGIICV-UHFFFAOYSA-N 406.482 4.810 0 40 HJAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)Nc1cccc(C)c1C 33785205 ATVKTXDYSQWFSN-IBGZPJMESA-N 422.550 4.904 0 40 HJAB CCOc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1 35264150 IFWAJAWRKZAYCI-UHFFFAOYSA-N 420.852 4.792 0 40 HJAB COc1ccc(CNC(=O)c2cc(-c3sc(-c4ccc(C)cc4)nc3C)n[nH]2)cc1 38486711 LLBYVYJJRFLAJQ-UHFFFAOYSA-N 418.522 4.756 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 39757799 AIGDGWVLIGARQN-UHFFFAOYSA-N 412.505 4.633 0 40 HJAB C[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C)c1ccc(-c2ccccc2)cc1 57383330 KQUYWZLZXOKZBO-RTBURBONSA-N 413.521 4.768 0 40 HJAB CN(CCc1ccccc1)c1ncc(-c2ccc(Cl)cc2)c(-c2nccn2C)n1 57775073 LUWOPNOAQYLQFY-UHFFFAOYSA-N 403.917 4.876 0 40 HJAB CC[C@@H](OC)C(=O)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 58432593 GLBRQCMDGRRAEP-OAHLLOKOSA-N 407.239 4.760 0 40 HJAB CCOc1ccc(-c2cc3c(SCC(=O)N(C)C4CCCCC4)nccn3n2)cc1 67290399 DUFIKIGFZOHFBY-UHFFFAOYSA-N 424.570 4.678 0 40 HJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(F)cc3C)oc12 67299102 FCNHZAMUYVTIPY-RWEWTDSWSA-N 406.413 4.644 0 40 HJAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCCC[C@@H]1c1ncc[nH]1 71849882 NFSNAZRHJJUWGB-MRXNPFEDSA-N 412.490 4.538 0 40 HJAB C[C@@H]1C[C@H](OC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)C(=O)O1 72274737 NRAUGSZLFSDERV-XIKOKIGWSA-N 400.427 4.725 0 40 HJAB COc1ccccc1Cc1cccc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72349022 KBFABKJKDVRWGL-JOCHJYFZSA-N 400.522 4.630 0 40 HJAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)ccc12 72374550 FBHAABKWEVGJDR-LJQANCHMSA-N 411.937 4.728 0 40 HJAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ncoc2-c2cccs2)C1 78658473 QHVNPHFQAMSWHO-GJZGRUSLSA-N 409.511 4.774 0 40 HJAB Cc1c(Cl)cccc1NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 102833608 WLQXDTFHUSSCJW-NILVNCKXSA-N 405.329 4.828 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C)C=CC[C@H]2C1=O 136688665 LEKPZBHZKPDGRU-AQKFKSFVSA-N 416.521 4.765 0 40 HJAB Cc1cc(OCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc(C)c1Cl 218927393 AVSJTAJBZZQQSQ-UHFFFAOYSA-N 420.296 4.698 0 40 HJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCSCc1ccccc1F 219467213 GKCYMTUPMUPFEM-UHFFFAOYSA-N 422.525 4.769 0 40 HJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1Cl 223180057 FWHSYJWHWGQHGJ-UHFFFAOYSA-N 422.912 4.964 0 40 HJAB O=C(NCC1CCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 223422306 DLAAKEFJTFXSID-XMMPIXPASA-N 408.567 4.771 0 40 HJAB O=C(NCCOc1cccc2ccccc12)C1CCN(Cc2ccc(Cl)cc2)CC1 223555119 NDQUEUPPVIOELU-UHFFFAOYSA-N 422.956 4.900 0 40 HJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCC 224197521 XRYAPRDCBWQLAF-OAQYLSRUSA-N 400.950 4.606 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 225098447 YVTJZMJVXPURDN-NRFANRHFSA-N 400.950 4.606 0 40 HJAB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C(F)(F)F 225775686 QDQJIHPRMGJDLN-UHFFFAOYSA-N 411.395 4.930 0 40 HJAB Cc1ccc(SCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)cc1 225809808 CUMGTAQHWHOKSO-JWGURIENSA-N 420.534 4.576 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 408670612 IQZBELLKHIHFDQ-LXGCGDOSSA-N 408.885 4.602 0 40 HJAB COc1ccc(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn23)c(OC)c1 408678742 UXZDZWVPVGMYEE-UHFFFAOYSA-N 414.461 4.753 0 40 HJAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(F)c(Cl)c1 408704945 WAVLDTVXSCBSKX-UHFFFAOYSA-N 418.877 4.560 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3c(C)cccc3C)cc2)cc1 409352903 XKRISHZALXJOTC-UHFFFAOYSA-N 422.550 4.984 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)CCCC5)c1 925303 SQHWZYCVWXXXPA-UHFFFAOYSA-N 423.567 4.565 0 40 HJAB Cc1cccc2cc(CN(Cc3cccs3)C(=O)c3ccc(F)cc3)c(=O)[nH]c12 1346757 CXTXWGJCGPAZFR-UHFFFAOYSA-N 406.482 4.880 0 40 HJAB c1ccc2c(c1)CCO[C@@H]2CNCCCCCCCNC[C@H]1OCCc2ccccc21 2098890 RLNGRBNBYVHQMZ-KAYWLYCHSA-N 422.613 4.744 0 40 HJAB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(c1nncs1)C3=O 2426676 MSLYWRIGYGFOMK-IBGZPJMESA-N 417.490 4.826 0 40 HJAB O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)Nc1cccc(Cl)c1 2440492 KGCKBEVXMKGHOH-UHFFFAOYSA-N 421.913 4.714 0 40 HJAB Cc1ccc(CNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 3176383 MWSUICXZMYHUJT-RUZDIDTESA-N 416.546 4.699 0 40 HJAB CCOc1ncccc1C(=O)O[C@@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1 3221219 DNSIRKDTACTQLX-OAQYLSRUSA-N 404.466 4.634 0 40 HJAB CCOCCOC(=O)[C@@H](C)Oc1ccc(Oc2nc(Cl)ccc2Cl)cc1 3311692 PCKCITKNINPHLL-GFCCVEGCSA-N 400.258 4.528 0 40 HJAB O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCN(c2ccccc2)CC1 3442828 ZMJAXAOECJNIHQ-UHFFFAOYSA-N 405.548 4.987 0 40 HJAB COC(=O)CC[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@@]21C 4081646 ZHUOOEGSSFNTNP-YUOXLNDWSA-N 406.607 4.566 0 40 HJAB biogenic,in-vitro CC(=O)c1ccc(NC(=O)c2sc3nc4cc5c(cc4cc3c2N)CCC5)cc1 4929905 LLYKWJVPIFWCLA-UHFFFAOYSA-N 401.491 4.975 0 40 HJAB Cc1ccc(-n2c(S[C@H](C)C(=O)NC3CCCCC3)nc3ccccc3c2=O)cc1 4975392 QREOQOFHPYQJSC-QGZVFWFLSA-N 421.566 4.624 0 40 HJAB C[C@@H]1CCCCN1C(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 5185143 CMLUNZPFZLDEOD-QGZVFWFLSA-N 407.466 4.570 0 40 HJAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 6128746 OLKBAHMKWDMYFQ-KKSFZXQISA-N 418.566 4.819 0 40 HJAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(Cl)cc2)N1Cc1ccncc1 6744693 DCXLYLFDYRDMHY-QFIPXVFZSA-N 416.868 4.576 0 40 HJAB O=C(COC(=O)c1oc2ccccc2c1COc1ccccc1)NC1CCCCC1 6885417 QNEHETXXHIIZGP-UHFFFAOYSA-N 407.466 4.618 0 40 HJAB O=C(NCCc1nc2ccccc2n1Cc1ccccc1F)c1ccc(Cl)cc1 8310772 SUTPQEHAIZVFMA-UHFFFAOYSA-N 407.876 4.850 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)o1 8750380 PINQHHVQUJLADI-UHFFFAOYSA-N 419.462 4.865 0 40 HJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(CCC(=O)O)cc3)ccc21 8778942 SVGGZLVPQWOEBK-UHFFFAOYSA-N 422.506 4.632 0 40 HJAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1 9234424 URAJLMXKQAKYCG-RBYWHNRPSA-N 424.522 4.847 0 40 HJAB Cc1ccnc(N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)c1 9435570 JRPJFBRAPORJHH-JOCHJYFZSA-N 424.426 4.550 0 40 HJAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 9707702 OWBAVFYCOLOXOP-UHFFFAOYSA-N 415.323 4.649 0 40 HJAB COc1ccccc1C(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@@H]1c1ccccc1 10060312 YWBROZUSGPSVMC-DHIUTWEWSA-N 424.504 4.976 0 40 HJAB CCOc1ccc(NC(=O)[C@@H]2Sc3ccc(C)n3N[C@H]2c2ccc(OC)cc2)cc1 11114850 LCSHLLIHLUCRJZ-FCHUYYIVSA-N 423.538 4.602 0 40 HJAB CC[C@@H]1CCCCN1C(=O)COC(=O)/C(=C/c1cccc(OC)c1)c1ccccc1 11203074 MRSACZXPGMDMCO-RZMOPNSYSA-N 407.510 4.570 0 40 HJAB Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@H](c1ccc(N(C)C)cc1)O2)CCCC3 11866506 DPSZDQXJKIOIBA-HXUWFJFHSA-N 403.478 4.753 0 40 HJAB COc1cccc(OC)c1C(=O)N1CCC[C@H](c2cc3c(C)c(OC)ccc3cn2)C1 12187855 VUZFBJQABXUKPN-SFHVURJKSA-N 420.509 4.589 0 40 HJAB CC(C)(C)c1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 12293567 JDWBHSUFEBWAMY-FGZHOGPDSA-N 413.533 4.507 0 40 HJAB O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1cncn1-c1ccc(F)cc1 12535410 YWONSLHTVAHPNY-UHFFFAOYSA-N 414.412 4.589 0 40 HJAB Fc1ccc(OCc2nc(CSc3nnnn3C3CCCCC3)cs2)cc1 12729796 XTQRYCVAYYXMRF-UHFFFAOYSA-N 405.524 4.645 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(Cc1ccccc1F)C(=O)O3 12755076 MPYAHWLOQWJJTH-UHFFFAOYSA-N 406.392 4.522 0 40 HJAB COc1ccc(-c2c(C)nn3c(C)c(C(=O)Nc4ccc(Cl)c(C)c4)nnc23)cc1 13635854 BQPOUHVZEZZYDY-UHFFFAOYSA-N 421.888 4.631 0 40 HJAB CC[C@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1ccc(C)cc1)S(C)(=O)=O 13713689 LNIFIKJHOFOXTO-HXUWFJFHSA-N 402.560 4.610 0 40 HJAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(F)c2)c1 17249631 DVRCHHLBQSYHBL-UHFFFAOYSA-N 408.458 4.622 0 40 HJAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)c1C 19558028 RZRLYBUSUJFSEK-KRWDZBQOSA-N 419.312 4.895 0 40 HJAB Cc1cccc(C)c1NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 19893237 QKKPCABQTRDCLI-UHFFFAOYSA-N 413.565 4.874 0 40 HJAB CN(C(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)C1CCCC1 20106103 PGLKMKNQQFWLSM-XMMPIXPASA-N 408.567 4.518 0 40 HJAB O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1 20611983 ICECBYOZXHRSHW-UHFFFAOYSA-N 421.722 4.593 0 40 HJAB Cc1cccc(CC(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@@H]2c2ccccc2)c1 28047944 WZNHWVBJPINXRG-DEOSSOPVSA-N 404.897 4.761 0 40 HJAB Cc1cccc2c(=O)n(CCC(=O)N(C)[C@H](C)c3ccc(Cl)cc3Cl)cnc12 31337059 HJYVVKZAELLHHI-CQSZACIVSA-N 418.324 4.621 0 40 HJAB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)Nc1cccc2ccccc12 31661977 SEWUPAQKDBOMKR-JOCHJYFZSA-N 409.917 4.688 0 40 HJAB Cc1ccc(-c2ccc(/C=C(\Sc3nc(C)n[nH]3)C(=O)O)o2)c(Br)c1 33738041 GXTOLERPGWXBFN-NVNXTCNLSA-N 420.288 4.662 0 40 HJAB CCCCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1 40915764 AXUIYQAYDSGWBB-JOCHJYFZSA-N 417.513 4.775 0 40 HJAB COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 46079002 KSRXLDHPQWYFCB-UHFFFAOYSA-N 404.441 4.680 0 40 HJAB COc1ccc([C@@H](NCC(=O)N[C@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 58158046 DYZQQHXIDHBYBB-OSPHWJPCSA-N 408.929 4.905 0 40 HJAB O=C(NCCc1cccc(Cl)c1)c1cccc(OCc2cn3ccccc3n2)c1 58245256 MTXNJLRGRGHNGN-UHFFFAOYSA-N 405.885 4.539 0 40 HJAB CCNC(=O)c1cccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)c1 58289456 CCOPXHORZPOUEL-GBXBDOIYSA-N 402.538 4.913 0 40 HJAB CCN(CC)Cc1cccc(CNC(=O)c2cccc(OCc3c(C)noc3C)c2)c1 59266427 HALYDFLRRZDDRC-UHFFFAOYSA-N 421.541 4.642 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1cccc(F)c1 72330498 POCFLAXVMYQDQM-YKSBVNFPSA-N 421.491 4.743 0 40 HJAB COc1cc2c(cc1CN1CCC[C@@H]1c1cc(Nc3cnccn3)cc(C)n1)CCC2 72372635 FWHNUIHPXDVLFJ-HSZRJFAPSA-N 415.541 4.758 0 40 HJAB COc1ccc(-c2ccc(SCc3ccc(N4CCCC4=O)cc3)nn2)cc1OC 90610223 BHBXKHGBLRISNW-UHFFFAOYSA-N 421.522 4.580 0 40 HJAB CC1(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CCN(Cc2ccccc2)CC1 96012342 PGYZDGCZBPCRAJ-QFIPXVFZSA-N 412.961 4.542 0 40 HJAB COc1cccc(C(=O)Nc2c(NCc3ccccc3)c3ccccc3oc2=O)c1 101094529 CQIJELOQAQOUIC-UHFFFAOYSA-N 400.434 4.666 0 40 HJAB CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 223339480 COPBRWUNHWEPPX-VWLOTQADSA-N 400.522 4.525 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1-n1ccnc1C 223740221 ZPVMOWIHLHPIDK-XMMPIXPASA-N 403.526 4.533 0 40 HJAB CC(C)c1ccccc1OCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 223754443 WICODTMGVWSKAC-FQEVSTJZSA-N 422.569 4.665 0 40 HJAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 223866693 CIRAOLPLHZKJOG-XZOQPEGZSA-N 412.518 4.755 0 40 HJAB S=C(NCc1ccc(Cl)cc1)Nc1ccc(N2CCc3ccccc3C2)nc1 223930924 AEURBJVSQZUIAM-UHFFFAOYSA-N 408.958 4.784 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 224387671 DQFXRCGQEKKAEJ-INIZCTEOSA-N 421.368 4.725 0 40 HJAB CC1CCN(Cc2ccc(C(=O)NCc3ccccc3CN3CCCCC3)cc2)CC1 224834370 ZFGNMLFBYONSLQ-UHFFFAOYSA-N 419.613 4.834 0 40 HJAB O=C(c1n[nH]c2ccccc12)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257215633 CQYSOXALAZHRIX-HXUWFJFHSA-N 404.445 4.648 0 40 HJAB CC(C)n1cc(CN2CCC3(CC2)Oc2ccccc2-c2c3cnn2C(C)C)cn1 306135648 OWTVHQSYMMSBTB-UHFFFAOYSA-N 405.546 4.792 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1Cl 408584326 ODTWHYOMWCKAMM-UHFFFAOYSA-N 421.950 4.857 0 40 HJAB O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 408659992 LCQDXCQCNVFQQC-JTYKQXRKSA-N 418.276 4.922 0 40 HJAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCSCc1c(F)cccc1Cl 408678851 IMVWXPWQKHUOLE-QGZVFWFLSA-N 411.926 4.695 0 40 HJAB COc1ccc(Br)c(C(=O)NC[C@@H](c2ccsc2)c2ccco2)c1 670163251 FUDKKFADVHMLRW-HNNXBMFYSA-N 406.301 4.674 0 40 HJAB Cc1ccc(NC(=O)c2ccc(CSc3nnc(-c4ccncc4)n3C)cc2)cc1 624836 GYRLFQIDKCLOKL-UHFFFAOYSA-N 415.522 4.730 0 40 HJAB Cc1cccc([C@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3cc(O)c(Cl)cc32)c1 881879 NBAYWFCTEMAGSW-QVKFZJNVSA-N 402.947 4.611 0 40 HJAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC 937749 IPOJLYRUAKXYRE-INIZCTEOSA-N 421.449 4.680 0 40 HJAB COc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1 1221429 BRFYMHMMDFECRN-UHFFFAOYSA-N 416.506 4.674 0 40 HJAB CCCC(=O)Oc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1OCC 2312900 OLXWTVMUMARZBF-BOPFTXTBSA-N 413.857 4.789 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(c1nccs1)C3=O 2432419 HXIINYULMQZBKF-KRWDZBQOSA-N 408.866 4.961 0 40 HJAB COc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc4c(cc32)OCO4)c1 2689799 XDRFRUSYGNHNGS-UHFFFAOYSA-N 409.445 4.989 0 40 HJAB COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1ccc(F)cc1 2690294 QGJSUQVOKIKCBG-UHFFFAOYSA-N 405.400 4.568 0 40 HJAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 3226459 NKWXERHZBKILRO-UHFFFAOYSA-N 424.884 4.571 0 40 HJAB CCOc1ccc(OCC)c(NC(=O)CSc2ncnc3sc(C)c(C)c23)c1 4167424 KESZYBXITMJQBV-UHFFFAOYSA-N 417.556 4.836 0 40 HJAB CCc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(OC)c2)cc1 4518151 ILYVFEKJIWYNSV-UHFFFAOYSA-N 419.529 4.814 0 40 HJAB O=S(=O)(NCCSCc1cccc(Cl)c1)c1cc(Cl)ccc1Cl 4680182 QQDIDJTXDIQQPG-UHFFFAOYSA-N 410.775 4.859 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(F)c2)cc1 4785568 XHQUDTDIWATJQH-UHFFFAOYSA-N 408.458 4.622 0 40 HJAB COc1ccc(OC)c(-c2nc(Nc3cccc(Cl)c3)sc2CC(=O)O)c1 5023154 DENOEEISCHBDMX-UHFFFAOYSA-N 404.875 4.851 0 40 HJAB COc1ccc(-c2nnc(SCc3cc(C)on3)n2CCc2ccccc2)cc1 5282148 QXSKNEGLDKGJIP-UHFFFAOYSA-N 406.511 4.785 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4C)[C@@H]3C2=O)c(C)c1 5528968 HFOLDOQWPQYRAR-VXNXHJTFSA-N 412.489 4.663 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc2c1CCCC2 6047413 KCPBKDCLSWCTCU-LBPRGKRZSA-N 407.919 4.863 0 40 HJAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2)c1 6052648 KNWQPCKPTPNUPF-UHFFFAOYSA-N 415.902 4.809 0 40 HJAB CCOC(=O)c1c(CSc2nnc(C)n2-c2ccccc2)nc2ccccc2c1C 6110716 QSCRLDDVJQJXIQ-UHFFFAOYSA-N 418.522 4.901 0 40 HJAB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(F)cc1 6323696 HCKGKLGPVMFJDN-WSDLNYQXSA-N 402.267 4.523 0 40 HJAB COc1ccc(OCC(=O)Oc2cc(-c3ccccc3)c3oc(=O)sc3c2)cc1 6809649 IYWJCDLCSROCOJ-UHFFFAOYSA-N 408.431 4.515 0 40 HJAB O=C(COC(=O)COc1ccc2ccccc2c1)Nc1cccc(Cl)c1Cl 6886561 ZXKWQUSBOCILTK-UHFFFAOYSA-N 404.249 4.707 0 40 HJAB Fc1ccc(-c2ccc(CNn3c(-c4ccncc4)n[nH]c3=S)o2)cc1Cl 7602319 OGHPRQJJMBARES-UHFFFAOYSA-N 401.854 4.799 0 40 HJAB CCOCCCNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 8253133 MRNHUXXWYFUCNB-UHFFFAOYSA-N 408.336 4.553 0 40 HJAB COc1ccc(Nc2nnc(SCC(=O)Nc3cccc(Cl)c3C)s2)cc1 9508163 YBODQCHLMQCEBD-UHFFFAOYSA-N 420.947 4.983 0 40 HJAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccc(N(C)C)cc1 9515238 JZPBELSBPRBIOP-LBPRGKRZSA-N 420.460 4.834 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 9725685 HGALRIZKUJFJLW-UHFFFAOYSA-N 420.494 4.657 0 40 HJAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCCc1ccccc1C 9866787 WZWBLDZFVZDDSQ-UHFFFAOYSA-N 408.329 4.515 0 40 HJAB CC(=O)c1cccc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)c1 10278745 REUWAJXXQIQBML-SFHVURJKSA-N 410.520 4.769 0 40 HJAB Cc1ccc([C@H](C)C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)cc1 12181720 YXPZYAXDRKGASW-OJAHFUOMSA-N 416.516 4.533 0 40 HJAB COC(=O)c1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(C)o4)=NN23)cc1 12196903 SLFWKXJAVLHQBD-XXBNENTESA-N 418.449 4.626 0 40 HJAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccccc2Cl)cs1)c1cccs1 12253597 HIDJVXPVAJLFQX-CQSZACIVSA-N 405.932 4.731 0 40 HJAB CSCC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 12542758 IFBOYAFSTRYIPG-ACJLOTCBSA-N 403.935 4.594 0 40 HJAB COc1ccc([C@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)c2nccn2C)cc1 12547731 IEXZRDGHJZSDEB-RTWAWAEBSA-N 411.933 4.728 0 40 HJAB Cc1cc(C(=O)Nc2ccccc2OC(F)F)c2cnn(Cc3cccs3)c2n1 12896923 NZKOPLXOMRITDH-UHFFFAOYSA-N 414.437 4.703 0 40 HJAB CC1CCN(CC(C)(C)CN(Cc2ccncc2)Cc2ccc3c(c2)OCO3)CC1 13989791 IUDOXABSRWPNEK-UHFFFAOYSA-N 409.574 4.571 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)cc1C 14004398 HIIXHZBWKXXKQB-GOSISDBHSA-N 424.522 4.510 0 40 HJAB CCCNC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1-c1cccc(C)c1 16071584 LAVQVGFHVLKLIG-MRXNPFEDSA-N 419.554 4.731 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4cccnc4)nc3c2)c1 17082442 NBYVDGHAKKTGPL-UHFFFAOYSA-N 402.479 4.633 0 40 HJAB Cc1c(NC(=O)c2cc3c(s2)-c2ccccc2CC3)c(=O)n(-c2ccccc2)n1C 17303060 IMHGYYUHTFMCSE-UHFFFAOYSA-N 415.518 4.564 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2)Cc2nc(C)ncc2-c2ccccn2)cc1 19209189 QKFRUKSOLKBPTK-UHFFFAOYSA-N 422.532 4.927 0 40 HJAB COc1ccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CCN(C4CCCC4)C[C@H]23)cc1 19557676 XHBBIYMCDGHSLF-UBFVSLLYSA-N 404.554 4.568 0 40 HJAB O=C(NCc1cccnc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 20729415 PRKGGFKOQDFPJA-QHCPKHFHSA-N 417.553 4.583 0 40 HJAB COc1ccc(-c2nc(COC(=O)c3cc(-c4ccccc4)[nH]n3)cs2)cc1OC 21628583 SPPXZFODJWFHTD-UHFFFAOYSA-N 421.478 4.574 0 40 HJAB COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccc(F)cc1Cl 22074782 LUVUUVGREHCYLJ-OAQYLSRUSA-N 415.892 4.890 0 40 HJAB COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3Cc3ccccc3)s2)cc1OC 25518589 NDAINEUNJXMZJY-LJQANCHMSA-N 422.550 4.983 0 40 HJAB COc1ccc(-c2nsc(NC(=O)c3ccc(OCC(C)C)cc3)n2)cc1OC 27662351 XGEPVISFVSNQSX-UHFFFAOYSA-N 413.499 4.509 0 40 HJAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1 31390765 UZWDHACZVKNQSI-QGZVFWFLSA-N 415.559 4.607 0 40 HJAB C[C@@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)N1CCc2ccccc21 32868663 VVNHYEJKCAKCKC-OAHLLOKOSA-N 401.491 4.960 0 40 HJAB CC(=O)N[C@H](CC(=O)Nc1ccc(C)cc1Br)c1ccccc1Cl 32922397 BXUNTMBCDGGRSE-QGZVFWFLSA-N 409.711 4.617 0 40 HJAB C[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)[C@H]2CCCC[C@H]21 32923107 ARPAUOSNBZKAIQ-WTNAPCKOSA-N 412.555 4.528 0 40 HJAB CCNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2 33470541 HNLZDQYYXZAZRJ-SSZFMOIBSA-N 420.896 4.668 0 40 HJAB Cc1nn(C)cc1-c1nn(-c2ccccc2Cl)c(-c2cn(C)nc2C)c1Cl 36611572 ZUKPDNYBMXIGCO-UHFFFAOYSA-N 401.301 4.597 0 40 HJAB CCOc1ccccc1CCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 39752354 LSBNTHJPIAERBD-UHFFFAOYSA-N 414.977 4.700 0 40 HJAB Cc1nc2nc3ccn([C@@H]4CCC[C@@H](C)[C@@H]4C)c(=O)c3c(-c3ccc(F)cc3)n2n1 40398553 GQUFVIMCKZPHRD-BIENJYKASA-N 405.477 4.551 0 40 HJAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1c(F)cccc1Cl 44900444 BFWYPQXTFBKMGV-LBPRGKRZSA-N 402.318 4.949 0 40 HJAB O=C(c1ccccc1)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 44915867 YGFDIUGNRZPNLS-UHFFFAOYSA-N 416.496 4.907 0 40 HJAB O=C(Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21)Nc1nncs1 57153690 AJJQLRZJJDWQHG-UHFFFAOYSA-N 404.282 4.500 0 40 HJAB Cc1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 67245642 CLTSLXUVZJQXCG-UHFFFAOYSA-N 420.943 4.787 0 40 HJAB COc1ccc(OC[C@H](O)Cn2c(Cc3ccc(Cl)cc3)nc3ccccc32)cc1 82087069 YIFFKYKOSGYNPQ-LJQANCHMSA-N 422.912 4.729 0 40 HJAB O=C(Nc1ccccc1Cl)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207017187 LKFIGELWTKYNNQ-ZDUSSCGKSA-N 402.907 4.938 0 40 HJAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OC(C)=O 214480211 WFAFVSYDWRKMFB-UDWIEESQSA-N 411.479 4.556 0 40 HJAB CCOc1ccc(CCC(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)cc1OCC 219280078 PDSCUHJIMPJEEF-IBGZPJMESA-N 415.530 4.701 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 222948512 IHHVLYXZASCXQN-KRWDZBQOSA-N 418.990 4.766 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccccc1C 223959453 UXNSDALLKVVBDQ-HSZRJFAPSA-N 422.550 4.985 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)cc(C)c1Cl 224614371 OTBMADSHEQNFRE-SFHVURJKSA-N 400.950 4.636 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224686033 GLHGPASJIJZQGU-JOCHJYFZSA-N 400.950 4.800 0 40 HJAB COc1ccc(NC(=O)c2ccc(C)cc2I)cc1Cl 225013882 CWDZOMLCNHAOSJ-UHFFFAOYSA-N 401.631 4.514 0 40 HJAB Cc1ccc(SCCCNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 225588834 IHASSDOKGPUZPT-UHFFFAOYSA-N 413.612 4.899 0 40 HJAB COc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)cc1C 225856071 FENQINBWUAJRKP-XMMPIXPASA-N 409.551 4.997 0 40 HJAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C1=O 408600908 GYHWKJSKLQIJHW-LBFZPMSMSA-N 421.421 4.603 0 40 HJAB Cc1cc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)ccc1Br 408663567 AIHRZWPNLQCYIJ-UHFFFAOYSA-N 417.086 4.860 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(F)cc2)cc1 408699152 RONJGYUHKFPWTE-UHFFFAOYSA-N 416.456 4.951 0 40 HJAB CN(C)c1ccc(NC(=O)c2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 408978118 KQEKVOADMKCXMO-UHFFFAOYSA-N 422.492 4.938 0 40 HJAB O=C(OCc1ccccc1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O 851653 PQYDUWRFKZJTCL-UHFFFAOYSA-N 407.425 4.997 0 40 HJAB Cc1cc(C)cc(NC(=O)N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)c1 1337197 XTXPVFJALLBERH-UHFFFAOYSA-N 410.518 4.920 0 40 HJAB Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)cc1C 1379963 DWXNIUONEDHHJM-HSZRJFAPSA-N 417.509 4.738 0 40 HJAB COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 1850455 JDDPFIMRFNYSGI-VWLOTQADSA-N 417.461 4.581 0 40 HJAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(I)cc1 2144690 UDTUZPOKHGVCLG-UHFFFAOYSA-N 403.672 4.675 0 40 HJAB CC(C)Cn1c(N)c(C(=O)N[C@H](C)CCc2ccccc2)c2nc3ccccc3nc21 2377862 ZAUDYRFZQFMSRL-QGZVFWFLSA-N 415.541 4.574 0 40 HJAB Cc1cc(C)nc(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 2383718 VPEGTMUZTLXPME-UHFFFAOYSA-N 409.355 4.862 0 40 HJAB O=C(Nc1ccc([C@@H]2CC2(Br)Br)cc1)c1cccs1 4699539 BZJVIHOKXDAHDR-NSHDSACASA-N 401.123 4.974 0 40 HJAB CCCN1C(=O)N(c2ccc(C)cc2)[C@@H](N(O)C(=O)Nc2ccc(C)cc2)C1(C)C 4732468 IXKDMZJIZKTBQZ-FQEVSTJZSA-N 410.518 4.983 0 40 HJAB CC(C)(C)P(=NC(=S)NCCCO)(N1CCCCCC1)N1CCCCCC1 5496385 WGGGTCXXWYECGZ-UHFFFAOYSA-N 416.616 4.825 0 40 HJAB Cc1oc2cc(OCC(=O)N[C@H]3CCCC[C@@H]3C)ccc2c(=O)c1-c1ccccc1 5497963 RDUQITYXBDNZHB-KKSFZXQISA-N 405.494 4.842 0 40 HJAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)C1c2ccccc2Oc2ccccc21 5511532 OPTYHPDRICIIRI-FQEVSTJZSA-N 402.494 4.861 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 5701513 OVMYZTHONWWCPK-INIZCTEOSA-N 416.506 4.597 0 40 HJAB CC1CCN(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 6052008 UVVUMMGAJMWVFM-UHFFFAOYSA-N 419.447 4.628 0 40 HJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)c1ccc[nH]1 6228812 XAJDKVAKYOFHMY-UHFFFAOYSA-N 408.914 4.950 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 6362224 OYZFMLBJSDHHOZ-GIDUJCDVSA-N 410.470 4.587 0 40 HJAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1 6569808 NLEMGTFCOMJGLS-UHFFFAOYSA-N 411.571 4.983 0 40 HJAB O=C(CCCSc1nc2ccccc2s1)Nc1ccc(Br)cn1 6784966 UQUUFZNAHDPDDG-UHFFFAOYSA-N 408.346 4.965 0 40 HJAB COc1ccccc1CN1C(=S)SC(C)(C)[C@H]1N(O)C(=O)Nc1ccccc1 6785556 JUPZSMRQADKJOP-QGZVFWFLSA-N 417.556 4.557 0 40 HJAB Cc1cc(I)cc(C)c1NC(=O)Cn1c(C)cc2ccccc21 6963470 ZOQOLWDIZIDZMW-UHFFFAOYSA-N 418.278 4.810 0 40 HJAB O=C(Nc1ccccc1-c1nc2ccccc2s1)[C@H]1CC(=O)N(Cc2ccco2)C1 7987868 VZKWBPDNYZYMIQ-HNNXBMFYSA-N 417.490 4.544 0 40 HJAB CCOc1cc(CNn2c(CC)n[nH]c2=S)ccc1OCc1ccccc1Cl 8339175 TYAVRTKMIXBNSQ-UHFFFAOYSA-N 418.950 4.878 0 40 HJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3c(c2)OCO3)cc1 9500720 DNWFHGLZRKURKB-UHFFFAOYSA-N 413.433 4.529 0 40 HJAB Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)CCc2ccccc2F)o1 10213495 SMUGBHZXKFHXHJ-UHFFFAOYSA-N 407.401 4.515 0 40 HJAB CS(=O)(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 10314668 OXNDWVVSBPBQCL-UHFFFAOYSA-N 416.886 4.756 0 40 HJAB COc1cccc(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c1 10965211 MQVARHQVZBNQSF-UHFFFAOYSA-N 418.371 4.741 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(F)c1 11310770 OMQUUQFAZQPAJM-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB Cc1cccc(C(=O)N2CCOc3ccc(-c4csc(NC(=O)C5CC5)n4)cc32)c1 12292728 PURHHSGXBYNVQT-UHFFFAOYSA-N 419.506 4.506 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(C)ccc3C)C2)c2ccccc12 12746502 ONAMMHZDGYMWJT-IBGZPJMESA-N 416.521 4.956 0 40 HJAB Cc1nn2c(C(F)(F)F)ccnc2c1/C=C/C(=O)N[C@H](c1ccc(F)cc1)C(C)C 12768732 RRJHGPNETLXZCI-SGQUHAKNSA-N 420.410 4.722 0 40 HJAB CCc1ccc([C@H](N[C@@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 12909375 WKFQPRPZMMNQED-BJKOFHAPSA-N 420.578 4.590 0 40 HJAB CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)c1 12919065 PAVDDDSFKNMUJD-UHFFFAOYSA-N 406.467 4.779 0 40 HJAB COc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c2ccccc12 12922472 BCUAJNDDFNUIET-SFHVURJKSA-N 416.521 4.578 0 40 HJAB COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1CC(=O)Nc1ccc(C)cc1C 13770438 ZXPIQNFUJMPRQO-LPPUWEFUSA-N 422.569 4.619 0 40 HJAB Cc1cc(I)ccc1NC(=O)COc1ccc2ccccc2c1 13847590 YKCYHOFYKCPUQU-UHFFFAOYSA-N 417.246 4.770 0 40 HJAB CCc1ccccc1NC(=O)CN(C)C(=O)c1c(-n2cccc2)sc2c1CCCC2 14169737 YRTSWBUNPFEEBB-UHFFFAOYSA-N 421.566 4.691 0 40 HJAB O=C(Nc1cc(F)ccc1F)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 15004650 OZYVCUVSZIZSJP-UHFFFAOYSA-N 412.779 4.671 0 40 HJAB O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](c1cccs1)c1c[nH]c2ccccc12 15479991 RUGJZTUZCCYKAE-SFHVURJKSA-N 405.479 4.628 0 40 HJAB CC(C)C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1 16574973 GECLDKRTFSVPPY-UHFFFAOYSA-N 401.462 4.988 0 40 HJAB O=C(NC(=S)NNc1ccccc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17083328 FQEFAETWGURMSX-UHFFFAOYSA-N 406.294 4.885 0 40 HJAB CCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 17316831 FAPKFEOXUUFZHZ-HXUWFJFHSA-N 419.554 4.935 0 40 HJAB COc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1Cl 18142815 MBQXUVSLGMAGTA-UHFFFAOYSA-N 404.875 4.776 0 40 HJAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1 19236841 VCDXCLFDGWAWMW-OFVILXPXSA-N 417.528 4.912 0 40 HJAB Cc1cccc(C2(C(=O)N[C@H](C)c3nc4ccccc4n3C(C)C)CCOCC2)c1 19662272 GDCQHNPNCVVVCX-LJQANCHMSA-N 405.542 4.851 0 40 HJAB C[C@@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 23181127 NWQBJFCBIOHNOZ-AUSIDOKSSA-N 411.615 4.696 0 40 HJAB Cc1ccc(NC(=O)CSCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 29098604 IKBMSIIHEMRDOR-UHFFFAOYSA-N 411.354 4.632 0 40 HJAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cccnc1Sc1ccccc1 30529230 NOOHHKRGEHXQGK-HXUWFJFHSA-N 419.506 4.603 0 40 HJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 30757148 ROAUITWSMCFJPZ-HXUWFJFHSA-N 420.475 4.828 0 40 HJAB CCn1c(COc2ccccc2)nnc1SCc1cc(=O)c2c(C)ccc(C)c2[nH]1 33063736 ZOEMIGKMXBNEFJ-UHFFFAOYSA-N 420.538 4.628 0 40 HJAB CCOC(=O)c1cc2c(-c3ccccc3)c(C(=O)c3ccccc3)sc2n(C)c1=O 39387259 JEFMDOZPBHYMPA-UHFFFAOYSA-N 417.486 4.675 0 40 HJAB Cc1ccccc1NC(=O)C[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21 39964031 AMUFWIREXPBPSU-QHCPKHFHSA-N 424.504 4.504 0 40 HJAB COc1cc([C@H](C)NC(=O)Cc2csc(-c3ccco3)n2)ccc1OCC(C)C 40087552 BOCRNBWBFDFIHL-HNNXBMFYSA-N 414.527 4.866 0 40 HJAB CN(Cc1ccccc1NC(=O)N1CCN(c2ccc(O)cc2)CC1)C1CCCCC1 40103374 UUWXAXFSQYCDJN-UHFFFAOYSA-N 422.573 4.511 0 40 HJAB C[C@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40105920 UKNLEPBCYARPFA-SNVBAGLBSA-N 406.718 4.589 0 40 HJAB O=C(c1ccc(Cl)cc1-n1cccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1 49551704 XIOUPCGCHPHFLI-UHFFFAOYSA-N 415.320 4.908 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2ccsc2c1=O 57478672 OCZSWOUCQHHSEA-UHFFFAOYSA-N 401.557 4.606 0 40 HJAB Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)c1 72359174 GCBLCDNZFBYLAO-NRFANRHFSA-N 403.501 4.930 0 40 HJAB Cn1cc(CN2CCC[C@H]2c2cccc(Nc3cnccn3)n2)c2cc(F)ccc21 72375754 KSKAOXYDUFMMJS-NRFANRHFSA-N 402.477 4.583 0 40 HJAB O=S(=O)(c1ccccc1)N1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 72391983 AEIAMGIMOJHRMQ-UHFFFAOYSA-N 424.469 4.576 0 40 HJAB CC(C)n1c(CCCCCNC(=O)c2c[nH]c(=O)c3ccccc23)nc2ccccc21 96231202 SQRCHUULOGSTHM-UHFFFAOYSA-N 416.525 4.602 0 40 HJAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1 103449365 QNAKEWMWQZSTSQ-WMZHIEFXSA-N 412.555 4.528 0 40 HJAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OC(F)F 106703178 PMWRYTDHECOFGX-YVLHZVERSA-N 405.422 4.842 0 40 HJAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 111672034 INLWHEUKYMTXSD-MFOYZWKCSA-N 412.312 4.535 0 40 HJAB Cc1ccccc1NC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 113964951 DOSUEXPNVLXIGT-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB COc1ccc(OC)c(-c2cc(C(=O)N3CCCC[C@H](c4ccc(F)cc4)C3)[nH]n2)c1 206669957 PPEWMWOKZDJLAM-KRWDZBQOSA-N 423.488 4.643 0 40 HJAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(OC4CCN(C)CC4)cc3)cc2)C1 219243278 MRKYGNHVHOPDDQ-FQEVSTJZSA-N 421.585 4.644 0 40 HJAB Cc1cccc(CSCCNC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 219676359 KIBHBJTVWFTNMF-HNNXBMFYSA-N 408.361 4.574 0 40 HJAB CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl 222752894 QWSJYVTWQBJIIW-OAHLLOKOSA-N 407.341 4.827 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccc(C)cc3)c2)cc1 223956838 ODZYCTQPALPAHV-GOSISDBHSA-N 408.523 4.595 0 40 HJAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)c1 224130596 DBUWNGWGKCNDJX-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)c1ccc(Br)o1 224336725 WRRLFHBRKHUHJJ-UHFFFAOYSA-N 406.211 4.633 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 224653581 KPVQAEYCFHNXLN-DEOSSOPVSA-N 424.585 4.570 0 40 HJAB CC(C)c1ccc(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1 224664267 MDVKXRHWJKGIRY-UHFFFAOYSA-N 410.624 4.687 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 225015664 KPISSBCHDZMNSS-PMACEKPBSA-N 412.599 4.809 0 40 HJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 225384142 OJSKRUNKYGQNLT-KRWDZBQOSA-N 415.540 4.635 0 40 HJAB CCOc1ccc(CNC(=S)Nc2ccc(OC)c3ncccc23)cc1OCC 225529863 YXEJEURRZSRIHS-UHFFFAOYSA-N 411.527 4.527 0 40 HJAB Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)nc1 238901859 ROJCMFMRTAPLAI-OAHLLOKOSA-N 418.337 4.721 0 40 HJAB Cc1ccccc1N1C[C@H](C(=O)NCCC(c2ccccc2)c2ccccc2)CC1=O 408709286 ZALFNMAWHSWCGH-HSZRJFAPSA-N 412.533 4.686 0 40 HJAB CCCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1OC 409370526 SIGXTFXEYLZODJ-IBGZPJMESA-N 402.516 4.642 0 40 HJAB COc1ccc([C@H](NC(=O)N2CCc3c([nH]c4ccccc34)C2)C(C)C)cc1OC 604403905 DEFSFASOKJKJBR-HSZRJFAPSA-N 407.514 4.650 0 40 HJAB biogenic CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc2ccccc12 888220 ZMCXJDYFZAMPKL-UHFFFAOYSA-N 402.523 4.773 0 40 HJAB Cc1ccc2cc(C)c3nnc(SCC(=O)N4CCCc5ccccc54)n3c2c1C 903190 FBOTYZAISJEWQN-UHFFFAOYSA-N 416.550 4.879 0 40 HJAB Fc1ccc(-c2csc3ncnc(NCCc4ccc5c(c4)OCCO5)c23)cc1 934499 JNFGBVBTVFZIJN-UHFFFAOYSA-N 407.470 4.923 0 40 HJAB O=C(NC(NNc1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 2050520 IQRZILPMBZWFRF-UHFFFAOYSA-N 411.733 4.507 0 40 HJAB CC(C)c1ccc(/C=C/C(=O)NCCNC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 2096217 NGXJKNMNLURHBZ-KAVGSWPWSA-N 404.554 4.892 0 40 HJAB Cc1ccc(-c2c(NC(=O)c3ccccc3F)n(-c3ccccc3)nc(C)c2=O)cc1 2363484 XEDCEDYUCROTOO-UHFFFAOYSA-N 413.452 4.908 0 40 HJAB COc1ccc(-c2nnc(S[C@H]3CCCCC3=O)n2-c2ccc(OC)cc2)cc1 2624373 PUDIJBBUVAHZHL-FQEVSTJZSA-N 409.511 4.555 0 40 HJAB FC(F)c1cc(C(F)F)n2nc(-c3nnc(Cc4ccc(Cl)cc4)o3)cc2n1 2803576 SFUWUUAMJXDDTN-UHFFFAOYSA-N 411.746 4.899 0 40 HJAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1ncc(Cl)cc1Cl 3272585 AIJIEKKFVRLWRJ-UHFFFAOYSA-N 411.260 4.521 0 40 HJAB CCCOc1ccc(CNC(=O)c2sc3nc4cc(OC)ccc4cc3c2N)cc1 4126962 IYRLIEGSWZWQNM-UHFFFAOYSA-N 421.522 4.759 0 40 HJAB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2cc(Cl)ccc21 4553471 HJQKTBOSPHWPGQ-JOCHJYFZSA-N 411.910 4.717 0 40 HJAB CCCCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)cc2)cc1 4599727 WEGPXKKXYPJSFV-UHFFFAOYSA-N 406.935 4.829 0 40 HJAB CCCc1oc2cc(C)c(NS(=O)(=O)c3ccc(C)cc3)cc2c1C(=O)OCC 4735825 PAKRERVAHAMZGS-UHFFFAOYSA-N 415.511 4.980 0 40 HJAB Cc1ccccc1C(=O)c1c(NC(=O)CN2CCCCCC2)sc2c1CCCC2 4847623 NNAOBRLBXLENFG-UHFFFAOYSA-N 410.583 4.981 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(c1nc(C)cs1)C3=O 5155918 VJDRZOQHDLTFJQ-SFHVURJKSA-N 406.438 4.755 0 40 HJAB Oc1ccc2c(c1)Oc1ncn3nc(-c4ccc(F)cc4)nc3c1[C@@H]2c1ccco1 5346517 ILHSGQCJXQODEN-SFHVURJKSA-N 400.369 4.515 0 40 HJAB CCCCc1nc2sc3c(N[C@H](CC)CO)nc(SC)nc3c2c2c1CCC2 5477965 BIQJPISUUKYERV-GFCCVEGCSA-N 416.616 4.976 0 40 HJAB Clc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)c1 5515982 ZOQYDPIIIKWEMA-YADHBBJMSA-N 413.868 4.539 0 40 HJAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)c1 5875967 UYZDSFUMNYQFON-HNNXBMFYSA-N 413.543 4.585 0 40 HJAB COc1ccc(NCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 6161572 KXCDSYVCIORUSS-UHFFFAOYSA-N 421.444 4.812 0 40 HJAB Cc1ccccc1-n1c(SCCOc2ccccc2F)nnc1-c1cccnc1 6257009 PLADSZXLIPQUKT-UHFFFAOYSA-N 406.486 4.948 0 40 HJAB CCOc1ccc([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc1OC 6679004 LEOHBXVJNULNFO-VFNWGFHPSA-N 423.538 4.751 0 40 HJAB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1O 6684032 RQRGEBXAYRORRG-ODCIPOBUSA-N 403.744 4.817 0 40 HJAB CCCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)c1 6752950 SVWWKCVCOSUMJC-HSZRJFAPSA-N 405.498 4.916 0 40 HJAB COc1ccccc1CNC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C 7306142 MPUHHIQCLHJNRN-UHFFFAOYSA-N 416.477 4.962 0 40 HJAB Cc1ccc(NC(=O)CSc2ccc(-c3ccc4c(c3)OCO4)nn2)cc1Cl 7446626 QBTSZOOSFJXVGQ-UHFFFAOYSA-N 413.886 4.565 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(Nc2ccccc2)s1)c1cc2ccccc2o1 7733771 FPICJTRXCHDFBT-CYBMUJFWSA-N 410.524 4.997 0 40 HJAB COc1ccc(SCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 7790544 PSRHOTAJJASRMN-QGZVFWFLSA-N 420.534 4.917 0 40 HJAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)C)cc2)CC1=O 7928754 DATWNKPQITVILC-AWEZNQCLSA-N 401.890 4.605 0 40 HJAB Cc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(N2CCCCCC2)cc1 8191909 NXSQGXJIRVZGSF-UHFFFAOYSA-N 421.570 4.687 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(O)cc1)N(c1nc(C)c(C)s1)C3=O 8642526 GYORGXFHFVLYJT-LJQANCHMSA-N 418.474 4.630 0 40 HJAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(C)c3)CC2=O)c1 8657346 METAOBFUIVQYMC-FQEVSTJZSA-N 411.505 4.922 0 40 HJAB CC(C)Oc1ccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 9062740 URYBLEJRERKQNI-UHFFFAOYSA-N 412.549 4.574 0 40 HJAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)c1 9125744 ADDZWIWWALRQCL-UHFFFAOYSA-N 418.836 4.596 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc2oc(=O)ccc2c1 9290862 QAZOVLYRHPIEIL-FARCUNLSSA-N 419.289 4.626 0 40 HJAB O=C1CCc2cc(-c3csc(NC(=O)c4cccc(C(F)(F)F)c4)n3)ccc2N1 11451205 VJFWODTWDSWPPJ-UHFFFAOYSA-N 417.412 4.966 0 40 HJAB O=C(NCCc1ccc(F)cc1)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12234771 RIZGGVGIQPUXBV-UHFFFAOYSA-N 418.512 4.586 0 40 HJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1nccnc1-c1nc2ccccc2s1 12764825 UFOUARREJDSCKB-UHFFFAOYSA-N 416.384 4.904 0 40 HJAB CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1 12783509 TZQPANLBMTUIHJ-SFHVURJKSA-N 416.518 4.817 0 40 HJAB COC(=O)Cc1ccc(Nc2ncnc3cc(-c4ccc(OC)cc4)sc23)cc1 12789544 IHRKLKMSBSPMBF-UHFFFAOYSA-N 405.479 4.826 0 40 HJAB COCCc1ccc(-c2csc(NC(=O)c3cnc4c(cnn4C(C)C)c3)n2)cc1 12807775 NCIITVRZRVEAEZ-UHFFFAOYSA-N 421.526 4.577 0 40 HJAB COc1ccc(CN(C)C(=O)/C=C/c2cc(C)n(-c3ccnn3C(C)C)c2C)cc1F 12864001 RLXHQBDHZITRQY-CSKARUKUSA-N 424.520 4.691 0 40 HJAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(-c2nnnn2C2CC2)cc1 12866504 TVZBTPBYHWQODL-UHFFFAOYSA-N 409.493 4.836 0 40 HJAB Cc1cc(NC(=O)CN[C@H](c2ccccc2)c2cccs2)n(-c2ccccc2)n1 12904841 FTSGKYREYSFCLA-HSZRJFAPSA-N 402.523 4.560 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1ccc(F)c2c1C(=O)C[C@H]2C 12931397 GHRYCIHXCBOCAG-VXGBXAGGSA-N 405.853 4.892 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)Cc1ccccc1 14405093 WWSDRUAXDPTGTE-UHFFFAOYSA-N 424.504 4.923 0 40 HJAB COc1ccc([C@H]2CCCN2CC(=O)N(Cc2ccccc2)Cc2ccco2)cc1 15300714 JGJJYVOUVJCERA-XMMPIXPASA-N 404.510 4.654 0 40 HJAB Cc1ccc(C)c(OC[C@@H](O)Cn2c(COc3ccccc3)nc3ccccc32)c1 15860752 IZWGILSQQNFYMB-FQEVSTJZSA-N 402.494 4.672 0 40 HJAB O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1Br 16147528 SKZBQNWTUVZIPZ-UHFFFAOYSA-N 414.630 4.922 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1 17087729 ASDJCNWBOIACNX-UHFFFAOYSA-N 407.495 4.584 0 40 HJAB Cc1nc([C@@]2(O)CCCN(C3CCCC3)CC2)sc1CCOc1ccccc1F 19705412 YRNGPYZYZFVAJX-HSZRJFAPSA-N 418.578 4.828 0 40 HJAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1Cl 20456028 AJUREXNCYBRCTQ-UHFFFAOYSA-N 422.717 4.765 0 40 HJAB CCOc1cc2c(cc1NC(=O)Cc1csc(-c3ccsc3)n1)O[C@H](C)C2 21837603 GOWICLZVEZRIAE-GFCCVEGCSA-N 400.525 4.775 0 40 HJAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)C1=O 23763523 RVAIPRWRAXCITE-UHFFFAOYSA-N 423.513 4.617 0 40 HJAB CCCc1noc([C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C)n1 27775461 NHHVDVDTWYZONI-HNNXBMFYSA-N 406.515 4.827 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1 27841019 YOMIFQUMCHVPEN-UHFFFAOYSA-N 420.852 4.792 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 29316957 XBRVLKCUXAHQLJ-KRWDZBQOSA-N 422.838 4.681 0 40 HJAB Cc1cc(C)n(CCCNC(=O)c2cc3occc3n2Cc2ccc(Cl)cc2)n1 36360655 WUDSTJLITQUZER-UHFFFAOYSA-N 410.905 4.569 0 40 HJAB Cc1ccc(CNC(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 40138958 XBVDGHGOTIRILX-JOCHJYFZSA-N 402.473 4.725 0 40 HJAB COc1ccc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc1OC 40143290 ZFXMKZJHRWKSBH-UHFFFAOYSA-N 409.667 4.853 0 40 HJAB O=C(CSCc1ccc(Cl)cc1)NCc1ccc(CN2CCCCC2)cc1 44873324 ULYOQTPJFAYSND-UHFFFAOYSA-N 402.991 4.876 0 40 HJAB CCn1c(SCC(=O)NC[C@@H](C)c2nc3ccccc3s2)nc2ccccc21 57994888 WFOXYSBPTTURCN-CQSZACIVSA-N 410.568 4.678 0 40 HJAB O=C1CCc2cc(C(=O)COc3cc(Cl)c(Cl)cc3Cl)c(F)cc2N1 58377368 IUZFEGCBHQDKTJ-UHFFFAOYSA-N 402.636 4.932 0 40 HJAB C[C@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccc2c(c1)OCO2 58377957 QXBUSGCHBJHPKC-LURJTMIESA-N 408.068 4.915 0 40 HJAB Cc1nc2cc(F)cc(C(=O)Oc3ccc(NC(=O)c4ccccc4)cc3)c2nc1C 58415889 AVFOPVRCCAVWCH-UHFFFAOYSA-N 415.424 4.857 0 40 HJAB Cc1cc(C)cc(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)c1 64787990 RXLICFJZYISLLR-UHFFFAOYSA-N 409.898 4.946 0 40 HJAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cc(F)ccc3Cl)n2)cc1 67257731 GPDRRJALCPGXBB-UHFFFAOYSA-N 417.893 4.984 0 40 HJAB CC(C)[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1nc2ccccc2[nH]1 68785520 KYBKPYPWDONTIU-SCLBCKFNSA-N 416.319 4.606 0 40 HJAB CCOc1ccccc1NC(=O)COc1cccc(-c2nc3cc(F)ccc3n2C)c1 72311171 RWOPNBFQQDUPSY-UHFFFAOYSA-N 419.456 4.796 0 40 HJAB CC1=C[C@@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nc2ccncc2[nH]1 72320822 GKCGTSFMXBFNFR-ACRUOGEOSA-N 402.542 4.785 0 40 HJAB biogenic,in-vitro CC(C)(C)OC(=O)NC[C@@H](NC(=O)CCc1ccncc1)c1ccc2ccccc2c1 95446677 GBUNLCPSLCHYOU-JOCHJYFZSA-N 419.525 4.550 0 40 HJAB O=C(CC1(n2cccc2)CCCCC1)N1CCC(O)(c2ccc(Cl)cc2)CC1 95477869 LQHZVMOIJOQVTA-UHFFFAOYSA-N 400.950 4.701 0 40 HJAB COc1cc([C@@H]2SCC(O)=Nc3ncn(-c4cccc(Cl)c4)c32)ccc1O 95480109 PANYBFHBOXAZDM-SFHVURJKSA-N 401.875 4.664 0 40 HJAB CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1cc(Cl)ccc1Cl 138105595 KHYQDCQDCUAYEC-UHFFFAOYSA-N 423.321 4.551 0 40 HJAB COC(=O)c1c(NC(=O)C2CCN(c3ccc(C)cc3)CC2)sc2c1CCCC2 219856295 VQWSHQXMDOIEGJ-UHFFFAOYSA-N 412.555 4.577 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccccc1 223134439 LWZQKPPADVKWTD-NRFANRHFSA-N 412.599 4.642 0 40 HJAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)c(Cl)c1Cl 223718948 LQHOCNRKTANGPZ-UHFFFAOYSA-N 402.343 4.946 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 224195801 IWMYCWKAUSGZHU-UHFFFAOYSA-N 419.477 4.930 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 224669682 OHXFGIHLQXPFEA-HXUWFJFHSA-N 412.599 4.729 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224836532 BKTOAEKHVNJCKK-FQEVSTJZSA-N 424.560 4.933 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccccc1 225460188 AKGYTIARTXUPRF-DENIHFKCSA-N 412.599 4.891 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2F)c1 225612845 NLEVWSDMIXUTIC-UHFFFAOYSA-N 406.548 4.612 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 225655841 VHYIGVFCTJJENO-IIBYNOLFSA-N 418.940 4.744 0 40 HJAB CCCO[C@](C)(C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1)C1CC1 225672322 BWGUMYLBEUQVIQ-IECBHUPTSA-N 402.579 4.577 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCCc1ccc(Cl)cc1 225690491 BNBFANBVXGXBKE-JWGURIENSA-N 422.912 4.761 0 40 HJAB C[C@@H]1C[C@@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NC3CCCCC3)n2)C1 226009336 FHATVRFDCSKFSB-CHWSQXEVSA-N 415.529 4.597 0 40 HJAB CCOC(=O)c1ccc(OCc2cccc(Br)c2)c(Br)c1 226326098 RCVPHWZLDVZOCY-UHFFFAOYSA-N 414.093 4.967 0 40 HJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3Cl)[C@@](O)(C(F)(F)F)[C@H]2C1 409100205 ULEYWXZFJATTEP-YNKQFZHNSA-N 402.844 4.865 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2Cl)c(C)c1 409382335 RYUMQWIFNBPRFE-UHFFFAOYSA-N 420.962 4.820 0 40 HJAB CCCN1CCCCCCCN(C(=O)c2cccnc2)c2ccc(C(=O)O)cc2C1 643583914 FSRWAILTUKDLCC-UHFFFAOYSA-N 409.530 4.603 0 40 HJAB COc1ccccc1[C@H](C)NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 644631694 FBNQRJIPHZGFCI-ZDUSSCGKSA-N 402.903 4.973 0 40 HJAB O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cc2c(OC(F)(F)F)cccc2[nH]1 1566301014 FCMUQZKOCLLFLM-UHFFFAOYSA-N 422.313 4.987 0 40 HJAB Cc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 666006 NOZNHUHXVJBUSJ-IBGZPJMESA-N 422.550 4.606 0 40 HJAB COc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 937234 AIHZWTRWNVESJA-UHFFFAOYSA-N 404.466 4.582 0 40 HJAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(F)cc3)c2C(N)=O)C1 996449 ASFVAALVCLFLLJ-MUAYPFOZSA-N 400.519 4.789 0 40 HJAB O=C(CSc1ccccc1)c1cc(Br)cc(Br)c1O 1102003 LOCMIEZKPWXLRF-UHFFFAOYSA-N 402.107 4.892 0 40 HJAB O=C(NC1CCCC1)[C@H](c1ccccc1Cl)N(C(=O)Cc1cccs1)C1CC1 1333759 KFUUHMXIHHVEGD-NRFANRHFSA-N 416.974 4.735 0 40 HJAB O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)c1ccc(F)cc1 2358276 LZGGMIYLNQXAPB-UHFFFAOYSA-N 423.469 4.613 0 40 HJAB COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)c1 2412541 QREAWJHIMFWYMM-QGZVFWFLSA-N 424.865 4.661 0 40 HJAB CCOc1ccc(CCn2c(-c3ccco3)nc3ccccc3c2=O)cc1OCC 2428163 IZYIQQRINVUYPH-UHFFFAOYSA-N 404.466 4.697 0 40 HJAB O=C(NN1C(=O)C2(CCCCC2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 2439895 DRSAWBRPYMWNOB-SFHVURJKSA-N 413.315 4.628 0 40 HJAB O=C(CSc1ncnc2ccccc12)Nc1ccc(OCc2ccccc2)cc1 3254332 XYZLTRFPXHAPJF-UHFFFAOYSA-N 401.491 4.940 0 40 HJAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)Nc1ccc(Oc2ccccc2)cc1 3264616 FNAGTDLTDLUHRO-UHFFFAOYSA-N 417.248 4.976 0 40 HJAB COc1ccc(C(=O)NCC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)cc1 3346898 WOKKIUFAFOQXED-UHFFFAOYSA-N 420.534 4.832 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1OC 4087681 PBWMZWAITLCDLA-CSKARUKUSA-N 401.875 4.528 0 40 HJAB O=C(Cc1ccc(F)cc1)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1 4167074 UIKXAZASGHSBEH-UHFFFAOYSA-N 408.420 4.869 0 40 HJAB COc1cccc(-n2c(SCc3cc(C)ccc3C)nc3c(c2=O)SCC3)c1 4358925 IMHAYGCOJCLNMI-UHFFFAOYSA-N 410.564 4.798 0 40 HJAB CC(C)Cn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccccc1F 4469196 DPAFCYHTVDQVNV-CRAIPNDOSA-N 404.555 4.527 0 40 HJAB C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc23)[C@@H]1C 4742807 IMIPXVACLGOPIA-ZEZSNWMHSA-N 415.537 4.654 0 40 HJAB CCSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CCCCC4 4824876 BFXROHVQXMNUFY-UHFFFAOYSA-N 410.568 4.784 0 40 HJAB Cc1ccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc4c(cc32)OCO4)cc1 4937009 POYMKSRPLKSFED-UHFFFAOYSA-N 411.457 4.626 0 40 HJAB CC[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cnc2ccccc2c1=O 5269774 ABHZQPGRKOZNIA-INIZCTEOSA-N 409.795 4.659 0 40 HJAB Cc1ccc(-n2c(SCc3cn4ccccc4n3)nnc2-c2cccnc2)c(C)c1 6365700 OLLJXYXAJZQYPX-UHFFFAOYSA-N 412.522 4.886 0 40 HJAB COc1ccc(-c2nc(NC(=O)CCc3ccc(OC)c(OC)c3)sc2C)cc1 6418207 JLYMNEZGLFSELT-UHFFFAOYSA-N 412.511 4.716 0 40 HJAB CCOC(=O)c1sc2nc(/C=C/c3cccc(C(F)(F)F)c3)[nH]c(=O)c2c1C 6566864 HXDWNFBWZOJVAP-BQYQJAHWSA-N 408.401 4.659 0 40 HJAB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ncccc3C)[C@H]2c2cccs2)cc1 6604519 FCSYWOUWMQJFTQ-RXVVDRJESA-N 405.523 4.883 0 40 HJAB CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cc(C)ccc1C)S2 6812243 NXMXIZFDRGBJPS-SFTDATJTSA-N 421.570 4.554 0 40 HJAB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1cccnc1 6962576 WJGJGHDMDBGEIV-SRZZPIQSSA-N 414.490 4.597 0 40 HJAB COc1ccc(SCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 7790538 PSRHOTAJJASRMN-KRWDZBQOSA-N 420.534 4.917 0 40 HJAB COc1ccc(-c2cc(C(=O)OCc3cc(C)on3)c3ccccc3n2)cc1OC 7818661 AGKVSOZONYGPPE-UHFFFAOYSA-N 404.422 4.572 0 40 HJAB Cc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1C 7834748 IXJCWFCLLYUHKC-KRWDZBQOSA-N 420.582 4.639 0 40 HJAB CC(=O)c1ccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)cc1 9224694 XCERVWJQUMXKEM-UHFFFAOYSA-N 421.460 4.763 0 40 HJAB COc1cccc(-c2cc(OC(=O)COc3cccc(C)c3)cc3sc(=O)oc23)c1 9430779 AMKUUWIAKNSXFV-UHFFFAOYSA-N 422.458 4.823 0 40 HJAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)cc(=O)c3c2)cc1OC 9660148 INBUCRDEEOTYOZ-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB biogenic COc1ccccc1C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccc(C)cc1 10059795 GWXXUXBXSROFJF-XZOQPEGZSA-N 424.504 4.976 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C)c(C)c3)c2C)cc1 10314820 GWSYPGCLHCPAFZ-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1cccc(C)c1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 10325156 ZRSKAFJXQUUMKL-SFHVURJKSA-N 420.534 4.696 0 40 HJAB COc1cccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1OC(F)F 12577104 DYELBXHLLBTHIN-FLVLSHQESA-N 413.424 4.550 0 40 HJAB O=C(NCc1cc(-c2ccc(F)cc2)on1)c1cc(Br)ccc1Cl 12636749 MLADGHALGZJISH-UHFFFAOYSA-N 409.642 4.827 0 40 HJAB CCNC(=O)COc1ccc(/C=C/c2nc(-c3ccccc3)cs2)cc1OCC 12856361 WGBKFUMJEVJLJN-ACCUITESSA-N 408.523 4.894 0 40 HJAB Cc1sc2nc(CSc3ccccc3)nc(NCC(=O)N3CCCC3)c2c1C 12910222 DAMGJHVKJOAVJO-UHFFFAOYSA-N 412.584 4.635 0 40 HJAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ncc(Cl)cc2Cl)cc1 12943777 RXNIQYUDULLJDN-SFHVURJKSA-N 408.329 4.953 0 40 HJAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(COc2ccccc2)cc1 13009123 XDRBZXIJIUFPCP-QHCPKHFHSA-N 404.510 4.816 0 40 HJAB COc1ccc(C(=O)[C@@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)cc1 13163850 WQOUTIICEPJQSQ-LLVKDONJSA-N 418.316 4.606 0 40 HJAB CC[C@H](C(=O)Nc1cccc2ccccc12)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714172 OPLPHDMPAZJOFQ-HXUWFJFHSA-N 416.930 4.677 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCc3sccc3[C@H]2C)cc1 14196492 FFYZZIXFCQZXTO-OAHLLOKOSA-N 415.518 4.515 0 40 HJAB Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 14398805 DYMCYTVGAOKUPW-UHFFFAOYSA-N 416.521 4.765 0 40 HJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14400401 AQSVOFOVZITBBA-CVEARBPZSA-N 402.922 4.891 0 40 HJAB CCc1ccc(O)c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 17087402 HZOZACOHDFCFBD-UHFFFAOYSA-N 406.507 4.660 0 40 HJAB COc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)NCc5ccc6c(c5)OCO6)(C4)C2)C3)cc1 18044058 KYLVRFIATJXRTM-GBXBDOIYSA-N 419.521 4.578 0 40 HJAB CN(Cc1ccsc1)C(=O)COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 18978204 JZGKSJVGHVVEQA-UHFFFAOYSA-N 423.412 4.842 0 40 HJAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3c[nH]nc3C(C)(C)C)cc2n1 19522334 MHQJCMYGUWYNKH-MRXNPFEDSA-N 420.483 4.668 0 40 HJAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Br)cc1 20029884 JLGDKKRPOXYDIZ-VIFPVBQESA-N 409.132 4.795 0 40 HJAB Cc1ccccc1OCC(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 20610653 ZQWMFKYRCSREFW-UHFFFAOYSA-N 400.482 4.870 0 40 HJAB COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cnccc4o3)c2)cc1OC 20737682 DXXKFEGQPZEGRC-UHFFFAOYSA-N 409.829 4.813 0 40 HJAB Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)c3ccccc3Cl)c3ccccc32)c1 21343650 FIBVATDVHYXJJG-VWLOTQADSA-N 419.908 4.964 0 40 HJAB CC(C)CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22256843 BUDVBQATXHQPPJ-UHFFFAOYSA-N 413.543 4.707 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)/C=C/c3ccco3)n2)cc1OC 22462029 PAMXHPLWVUXNCG-ZRDIBKRKSA-N 417.421 4.666 0 40 HJAB Cc1cccc(/N=c2\scc(-c3ccc(Br)cc3)n2CCO)c1C 22855457 XGPIIJWSIBPQNI-VZCXRCSSSA-N 403.345 4.821 0 40 HJAB COc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)ccc1OCc1c(C)noc1C 25162809 LNFGJRSPVZLHSX-OAQYLSRUSA-N 406.482 4.856 0 40 HJAB O=C(c1ccccc1)[C@@H](Sc1nnc(O)n1CCc1ccccc1)c1ccccc1 26265298 SAHWBBPOSRMEGA-QFIPXVFZSA-N 415.518 4.943 0 40 HJAB O=C(CSCc1cccc(Cl)c1)Nc1ccccc1C(=O)N1CCCCC1 27918345 VXQHQNUAUHEWFB-UHFFFAOYSA-N 402.947 4.838 0 40 HJAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)Cc1ccc(F)cc1 32609870 LJHKCMGSWZYWDF-UHFFFAOYSA-N 421.394 4.876 0 40 HJAB Cc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)cc1 38501142 DUODDVYDTWGWEX-UHFFFAOYSA-N 415.468 4.829 0 40 HJAB C[C@H]1CCCCN1Cc1ccc(NC(=O)NCc2ccc(OC(F)F)cc2)cc1 40158644 XXGOVYJGPKSPOK-INIZCTEOSA-N 403.473 4.984 0 40 HJAB COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 44937308 QAMHHBDEPVGGFB-DEOSSOPVSA-N 412.549 4.950 0 40 HJAB CC(C)n1ncc2c(C(=O)N(Cc3ccccn3)C3CC3)cc(-c3ccccc3)nc21 48300045 GHSSFVMCGPIQPQ-UHFFFAOYSA-N 411.509 4.879 0 40 HJAB COc1ccc2sc(OC3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)nc2c1 49443227 CKNAKIYPCBWTLU-UHFFFAOYSA-N 411.527 4.997 0 40 HJAB Cc1[nH]c2ccccc2c1[C@H](c1cccnc1)N1CCN(c2ccccc2F)CC1 54072945 PJKAQXZXTABKHO-VWLOTQADSA-N 400.501 4.922 0 40 HJAB Cc1ccc(C(=O)NC[C@H](C)Nc2ccccc2)cc1NC(=O)c1ccccc1F 72311614 YYWKBQINZCRHJP-KRWDZBQOSA-N 405.473 4.617 0 40 HJAB O=C(Cc1ccc(F)c(Br)c1)Nc1ccnc(Sc2ccccn2)c1 84613290 LOUDMBBWCIIYRJ-UHFFFAOYSA-N 418.291 4.711 0 40 HJAB C[C@@H](NC(=O)C(C)(C)[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccccn1 95451133 BYDAIOVNWBDQOR-WZONZLPQSA-N 404.510 4.598 0 40 HJAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 95471603 ITJZSSQSLBVRLO-UHFFFAOYSA-N 415.342 4.666 0 40 HJAB COC(=O)c1nc(NC(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)sc1C 95475345 SRCMZZBBLJDUPF-HNNXBMFYSA-N 417.918 4.506 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3C)o2)cc1 96246902 PZPOZAYAVAECOD-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2OC(F)F)C[C@H](c2ccccc2O)C1 102623073 CGDBLYUBLXMCFQ-YUNKPMOVSA-N 424.407 4.650 0 40 HJAB COc1cc(Cl)c(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 106707219 JHTNYWBPUWFGCY-NVMNQCDNSA-N 403.887 4.902 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCc1cccc2ccccc12 223191428 YZPYCGNEGOGPJG-HSZRJFAPSA-N 422.956 4.979 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 223730701 XPPPBIWJGIXTNJ-DEOSSOPVSA-N 408.586 4.960 0 40 HJAB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1C 224025662 FJNHQNIYRWEBBL-JOCHJYFZSA-N 408.523 4.677 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl 224639728 UMRIWHOQNOXIGG-INIZCTEOSA-N 421.368 4.868 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 225208705 PIEGWBXIXRUZLC-RBUKOAKNSA-N 414.977 4.831 0 40 HJAB O=C1CCCN1c1cccc(NC(=S)NCCCSCc2ccccc2F)c1 225613463 VZGSQNSFAOXIHV-UHFFFAOYSA-N 417.575 4.562 0 40 HJAB CCc1cc(C(=O)N2CCC3(CC2)CO[C@@H]2c4ccc(C)cc4OC(C)(C)[C@H]2C3)on1 257297242 RGMKBLYHLQFXCC-SIKLNZKXSA-N 424.541 4.717 0 40 HJAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)c1 408576951 ZCDHZTFETBYNEV-CYBMUJFWSA-N 407.499 4.591 0 40 HJAB O=C(Oc1cccc2cccnc12)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408657018 IESIPACAKMHBDB-ZDUSSCGKSA-N 401.249 4.500 0 40 HJAB COc1ccc(N(C)C(=O)c2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 408977859 KFYSRSYHSSUXLY-UHFFFAOYSA-N 423.476 4.905 0 40 HJAB COC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)sc2c1CCCC2 729795 MKWQNJXPJRTMSX-UHFFFAOYSA-N 401.528 4.863 0 40 HJAB Cc1ccccc1NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 858099 HXGNDOPETCWAEC-XMMPIXPASA-N 400.522 4.906 0 40 HJAB CCOC(=O)[C@@H](CC)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 950722 FHMPOSFSXFAVBF-MRXNPFEDSA-N 402.830 4.959 0 40 HJAB biogenic,in-vitro COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cccc(OC)c4)c3n2)cc1 1003197 BQQSPAAIHQPCPR-UHFFFAOYSA-N 424.407 4.603 0 40 HJAB Cc1cc(=O)oc2cc(OCCSc3nnc(-c4cccc(Cl)c4)o3)ccc12 2184310 KLKRGAYKULTOTH-UHFFFAOYSA-N 414.870 4.976 0 40 HJAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccc(C)cc1 3229681 SBGCMRKCQKSCSJ-UHFFFAOYSA-N 417.461 4.634 0 40 HJAB O=C(COC(=O)c1cccc(OC(F)F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 3250012 MZEMVZZBOXNFPL-UHFFFAOYSA-N 423.721 4.756 0 40 HJAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2nc3ccccc3nc2Cl)cc1 3267631 FWKGDFVSORLIAL-UHFFFAOYSA-N 423.925 4.987 0 40 HJAB COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 3771893 SPZJCUDCPCSWCA-UHFFFAOYSA-N 419.428 4.902 0 40 HJAB CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 3864274 IDLBJAWSPQZDTF-HZPDHXFCSA-N 415.511 4.810 0 40 HJAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)c(C)c1 4672245 CDXRNRLTWWNMFS-RUZDIDTESA-N 419.908 4.964 0 40 HJAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc(C(F)(F)F)cc1 5206115 INCKDJFWYMPDLM-UHFFFAOYSA-N 403.404 4.614 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2ccccc2Cl)c1 5259075 XNDFJVMGVOSYPQ-UHFFFAOYSA-N 407.832 4.739 0 40 HJAB CC(=O)c1cccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)c1 5270842 ZJANPCOFTBCJJE-UHFFFAOYSA-N 415.276 4.658 0 40 HJAB Cc1noc(C)c1COc1ccccc1C(=O)OCC(=O)c1c(C)[nH]c2ccccc12 5367945 CADKYKLEIMSPCJ-UHFFFAOYSA-N 418.449 4.700 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)OCc1cn2cc(Cl)ccc2n1 6371255 IYONFIGOAMAEKG-UHFFFAOYSA-N 402.237 4.962 0 40 HJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)OCc1coc(-c2cccs2)n1 6465425 MFSOZVNWNBVUDD-UHFFFAOYSA-N 407.373 4.515 0 40 HJAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3cc(C(C)(C)C)ccc3OC)CC2=O)cc1 6880979 IEMMSXBHTOYMGH-KRWDZBQOSA-N 424.541 4.773 0 40 HJAB CCc1ccc(Nc2nnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)s2)cc1 6908054 ONJASTHWIZRNKI-GFCCVEGCSA-N 409.540 4.934 0 40 HJAB COc1ccc(C(C)=O)cc1CSc1nnc(COc2ccc(Cl)cc2)n1C 7236227 DSRWSFDKCYSBRR-UHFFFAOYSA-N 417.918 4.551 0 40 HJAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(-c2nc3ccccc3s2)o1 7491383 YPHMQUPLJOCWNI-UHFFFAOYSA-N 417.490 4.613 0 40 HJAB CC(C)[C@@H](NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1nc2ccccc2[nH]1 8013506 BSCBUWLXMHGNNQ-OAQYLSRUSA-N 416.529 4.893 0 40 HJAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 8022354 ZRHVTRAQGGZNQG-FQEVSTJZSA-N 413.901 4.733 0 40 HJAB NC(=O)c1c(NC(=O)c2ccccc2OCc2ccccc2)sc2c1CCCC2 8037379 KOLLUWDRDOROOJ-UHFFFAOYSA-N 406.507 4.557 0 40 HJAB CCOc1ccc(CN(C)C(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)cc1 8133984 KZWKHUXEIYWUJY-UHFFFAOYSA-N 408.546 4.619 0 40 HJAB O=C(COc1ccc(-c2ccccc2)cc1Br)NCCc1ccccc1 8566673 SMVPXNJQFYBBNX-UHFFFAOYSA-N 410.311 4.854 0 40 HJAB COc1cc2cc(CN(C(=O)Nc3ccccc3)C3CCCC3)c(=O)[nH]c2cc1OC 8617352 FCXCCTDEFSJNRP-UHFFFAOYSA-N 421.497 4.522 0 40 HJAB OCCn1c(-c2ccccc2)c(-c2ccccc2)c2c1ncn1nc(-c3ccco3)nc21 8995979 BNJFTWYUYVLWFU-UHFFFAOYSA-N 421.460 4.665 0 40 HJAB Cc1ccc(Sc2ccc(NC(=O)Cn3cnc4sccc4c3=O)cc2)cc1C 9166488 SVPOGQMJDWGEPP-UHFFFAOYSA-N 421.547 4.865 0 40 HJAB CCOc1ccc(-n2c(COc3ccc(Br)cc3)nnc2SC)cc1 9540666 ZOKHVIZJGXAQPE-UHFFFAOYSA-N 420.332 4.729 0 40 HJAB O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NC1CCCCCC1 9784875 YRJNGFJEFWYSPF-UHFFFAOYSA-N 406.939 4.822 0 40 HJAB Cc1ccc(NC(=O)C2(C[C@H]3CC(c4cccc(F)c4)=NO3)CCOCC2)cc1C 12365935 MPOMAIXNYMXMPN-OAQYLSRUSA-N 410.489 4.761 0 40 HJAB COc1cc(C(=O)N[C@H](C)Cc2ccc3oc4ccccc4c3c2)cc(OC)c1OC 12401838 MIDCPZNPCJUMAQ-OAHLLOKOSA-N 419.477 4.973 0 40 HJAB CC(=O)Nc1ccc2c(CSc3nccn3-c3ccccc3C)cc(=O)oc2c1 12603343 OMBGKROBWVUDCC-UHFFFAOYSA-N 405.479 4.538 0 40 HJAB CCOC(=O)c1sc(NC(=O)c2ccccc2F)c(C(=O)OC(C)(C)C)c1C 12739182 RVKGBGJTYQJRFD-UHFFFAOYSA-N 407.463 4.580 0 40 HJAB COc1ccc([C@H]2CCCN2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)c(OC)c1 12773068 TUDCCDQDTSKGTK-HXUWFJFHSA-N 424.570 4.738 0 40 HJAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3cccc(Br)c3)ccc12 12780107 UBMHNBLZPUSEFV-LBPRGKRZSA-N 416.271 4.524 0 40 HJAB O=C(CN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)Nc1ccc(F)c(F)c1 12780756 KHHALGVCADTKEB-HSZRJFAPSA-N 419.431 4.598 0 40 HJAB CSc1ccccc1NC(=O)CN(C)Cc1cc(-c2ccc(Cl)cc2)no1 12864317 QKBSJSQCEPIPBU-UHFFFAOYSA-N 401.919 4.787 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)[C@@H](Sc1ncnc2nc[nH]c12)c1ccccc1 13572797 JYAIOCCHWYIJHJ-KRWDZBQOSA-N 409.902 4.787 0 40 HJAB C[C@]12C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1ON(c1ccccc1)[C@@H]2c1ccccc1 13618112 JMURSCATIIKWMK-ZFGGDYGUSA-N 418.880 4.781 0 40 HJAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 14139550 QFOAJDDHUWWHFV-UHFFFAOYSA-N 410.558 4.973 0 40 HJAB Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)N2CCC(C)CC2)o1 15860279 SATICZOVKUCRHO-SFHVURJKSA-N 405.336 4.554 0 40 HJAB Cn1ccnc1[C@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1ccc(Cl)cc1 16262931 BOMMRCYHJPLJRK-GOSISDBHSA-N 400.265 4.993 0 40 HJAB Cc1cc(NC(=O)c2ccc(Br)o2)cc(-c2nc3ncccc3o2)c1O 16269605 RIEFHLSUJRGEAV-UHFFFAOYSA-N 414.215 4.512 0 40 HJAB COc1ccc(C(=O)N(Cc2ccccc2)Cc2nc(C)ncc2-c2ccncc2)cc1 19287006 ROCXVRTWRFCTRZ-UHFFFAOYSA-N 424.504 4.698 0 40 HJAB O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(F)c(F)c3)CC[C@@H]21 19292952 OIGJHOOUOCYAQC-IPJJNNNSSA-N 416.537 4.643 0 40 HJAB Cc1nc([C@@H]2CCCN(Cc3ccc(-c4ccccc4)cc3)C2)ncc1C(=O)N(C)C 19763092 RSMFDTWMIZGYHN-HSZRJFAPSA-N 414.553 4.533 0 40 HJAB O=c1c2nc(N3CCCCC3)sc2c(-c2cccs2)nn1CCc1ccccc1 23108939 RMQUUBTXKRMLSE-UHFFFAOYSA-N 422.579 4.815 0 40 HJAB Cc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)c1ccc(Cl)cc1)S2 27525584 HZFOFOPHMDMCHG-NVXWUHKLSA-N 405.310 4.535 0 40 HJAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cc2ccccc2c(=O)[nH]1 32717051 NARSAGIWHQWUIS-NRFANRHFSA-N 407.473 4.571 0 40 HJAB Cc1c(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(F)cc1 32786733 RQDDCZPRLADAQA-LBPRGKRZSA-N 413.403 4.556 0 40 HJAB Cc1ccc(C)c(N2CCN(c3nccn4nc(-c5ccc(Cl)cc5)cc34)CC2)c1 33048712 XMPJWSSLGBRJKR-UHFFFAOYSA-N 417.944 4.993 0 40 HJAB CCCn1c(=O)c2sccc2n2c(SCc3c(F)cccc3Cl)nnc12 35529150 XAGWZSHJTBZGIP-UHFFFAOYSA-N 408.911 4.601 0 40 HJAB Cn1c(CNC(=O)c2cc3occc3n2Cc2ccccc2Cl)nc2ccccc21 36364991 KPWBORCTSLCIEZ-UHFFFAOYSA-N 418.884 4.753 0 40 HJAB CSc1ccccc1NC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 40134527 JZHUUEYGCACCQK-UHFFFAOYSA-N 420.460 4.806 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCCN1CCC[C@@H](C)C1 48237234 WYYRXKLLJIFSEY-CQSZACIVSA-N 407.917 4.684 0 40 HJAB Cc1cc(NC(=O)CSCC(=O)N(C2CC2)[C@H](C)c2cccc3ccccc23)no1 48303568 CYWGMXJNRBVSJJ-MRXNPFEDSA-N 423.538 4.560 0 40 HJAB Cc1ccc2c(c1)CCCN2C(=O)c1cc(C)nc2c1cnn2Cc1cccs1 48303757 VSFPQBZNJQNXTJ-UHFFFAOYSA-N 402.523 4.751 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccsc2c(=O)n1CC(C)C 57426234 GCJCDTTTYTXCTB-UHFFFAOYSA-N 421.975 4.807 0 40 HJAB CC(C)(C)n1nnnc1[C@@H](c1cccnc1)N(Cc1ccccc1)Cc1cccs1 57710972 SGYJJYITWMLWJY-OAQYLSRUSA-N 418.570 4.676 0 40 HJAB Cc1cccc(NC(=O)CN(C)C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1C 58196028 BJKOJPHYUJLVFE-HSZRJFAPSA-N 411.521 4.954 0 40 HJAB CCC1=NN(C(=O)CCCc2ccccc2)[C@@](O)(c2ccc(Br)cc2)C1 59489028 WIIHKSTVNVGCBB-NRFANRHFSA-N 415.331 4.615 0 40 HJAB Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2cccc(C(C)C)c2)c1 67246447 JQANXPGGEWVAPK-UHFFFAOYSA-N 404.514 4.674 0 40 HJAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccccc1C(F)(F)F 71980534 YJFARKRMFMBQRL-FOCKTWCOSA-N 413.436 4.564 0 40 HJAB Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)c3cccc(N(C)C)c3)C2)n1 72350700 IRINRZCTNYVAIZ-SFHVURJKSA-N 406.555 4.599 0 40 HJAB Cc1cccnc1NC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 72401687 WWQWVQIVLYJPLE-NRFANRHFSA-N 405.542 4.927 0 40 HJAB COc1ccc([C@H]2N=C(c3ccccc3O)C[C@H](c3cc(OC)ccc3OC)N2)cc1 80325078 XLOIZIFVKKWIGH-RDGATRHJSA-N 418.493 4.641 0 40 HJAB Cn1ccnc1SCc1cccc(C(=O)N[C@H]2CCC[C@H]2OCc2ccccc2)c1 89761487 PDKXAWYBSXPKNE-FCHUYYIVSA-N 421.566 4.580 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)[C@@H]1Oc2ccccc2O[C@H]1C 90593221 MFHLLTRGHKLIFL-ORAYPTAESA-N 414.914 4.617 0 40 HJAB O=C(c1cc(-c2ccccc2)no1)N(CC(F)(F)F)[C@H]1CCCc2cccnc21 95462409 KOOSHVRTZARRTD-KRWDZBQOSA-N 401.388 4.819 0 40 HJAB O=C(O)[C@@H]1c2ccc(Br)cc2CCN1c1ccc(Cl)cc1Cl 95627614 XIABTSHFZPCWHF-HNNXBMFYSA-N 401.087 4.944 0 40 HJAB C[C@H](NC(=O)[C@@H](C)OC(=O)C1(c2cccc(F)c2)CCCC1)[C@H]1C[C@@H]2CC[C@@H]1C2 103005114 BHIBQOONCFCENX-AAWZQNATSA-N 401.522 4.510 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219325883 SMCYHLHIDHRNPU-INIZCTEOSA-N 406.269 4.517 0 40 HJAB CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c(Cl)cc1O 222674129 ZLXDCLUODYGBPT-HQOQDVMHSA-N 403.935 4.819 0 40 HJAB Cc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1S(=O)(=O)Nc1ccccc1 222948833 KJQNKKASXABHJF-UHFFFAOYSA-N 422.550 4.547 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)O)o1 222982498 RLBYFUTVLUVFSA-LEWJYISDSA-N 421.522 4.812 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 223355741 PMLPORMWUNAEIN-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 223429672 OMKWTBSWKHQLST-FCHUYYIVSA-N 406.555 4.645 0 40 HJAB Cc1cccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1C 223973406 UIQMJLBSCORGGN-UHFFFAOYSA-N 418.940 4.503 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224104490 HJPGMWCCDLRDTJ-OAQYLSRUSA-N 408.586 4.932 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 225170967 HZGQASQJWLCKEQ-OALUTQOASA-N 414.977 4.831 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCSc1ccccc1 225765207 BFOVBGFJVYUMNN-PGMHBOJBSA-N 422.575 4.736 0 40 HJAB COc1ccc(Cl)cc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 409005022 YSDJQINCPPMCCF-SFHVURJKSA-N 416.905 4.649 0 40 HJAB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1ccccc1F 409019857 YVRIBLOXABMNCE-YBFXNURJSA-N 401.459 4.858 0 40 HJAB Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCCCC3)cc2)cc1Cl 409220980 IUILFBCVGAVIIC-UHFFFAOYSA-N 402.947 4.827 0 40 HJAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1C 409340484 XYISXUHDWURKTK-UHFFFAOYSA-N 424.570 4.865 0 40 HJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3)C2=O)c1C 409358501 UZNXPFSIHAENJL-LICLKQGHSA-N 400.887 4.632 0 40 HJAB Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Sc3nccn3C)n2)c1 847491 UKHVJNBSLMMKII-UHFFFAOYSA-N 403.515 4.860 0 40 HJAB O=C(CSCc1ccccc1)Nc1nnc(CSCc2ccccc2)s1 969003 YOFVHJZYSFMZGF-UHFFFAOYSA-N 401.582 4.843 0 40 HJAB Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)Cc1ccc(Cl)cc1 974219 WCLCYRXUDJJPOU-UHFFFAOYSA-N 410.823 4.930 0 40 HJAB biogenic CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1[C@H](C(=O)OCC)CCC2 1016691 ACHDZAUUCQYXHW-CQSZACIVSA-N 416.499 4.552 0 40 HJAB COc1ccccc1-n1c(SCC(=O)c2ccccc2)nnc1-c1ccccc1 1221449 FCGKKYGBSSAMOW-UHFFFAOYSA-N 401.491 4.918 0 40 HJAB COc1ccc(-c2cc(=O)oc3c(C)c(O[C@H](C(=O)O)c4ccccc4)ccc23)cc1 2115105 BWTANHLMTGIUBP-DEOSSOPVSA-N 416.429 4.982 0 40 HJAB biogenic CCCCSc1nc(N2CCN(CC)CC2)c2c3c(sc2n1)COC(C)(C)C3 2420238 KGNWWZXFGCPDJC-UHFFFAOYSA-N 420.648 4.577 0 40 HJAB Clc1ccc(N2CCN(c3ncnc4sc5c(c34)CCC5)CC2)cc1Cl 2679656 UCGBORMKISFKPM-UHFFFAOYSA-N 405.354 4.813 0 40 HJAB CCOC(=O)c1c(NC(=O)c2nn(C)cc2Cl)sc2c1CC[C@@H](C(C)(C)C)C2 2749968 CWUXISARQHOXJQ-LLVKDONJSA-N 423.966 4.715 0 40 HJAB O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(Cl)c1)c1ccccc1 3169283 FYVVGMMVCLWIBG-UHFFFAOYSA-N 410.886 4.828 0 40 HJAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1cc(Cl)c(Cl)cc1Cl 3316682 LVQVLLKZKIXAEE-UHFFFAOYSA-N 420.701 4.853 0 40 HJAB O=C(Nc1cc2c(cc1Br)OCCO2)C(c1ccccc1)c1ccccc1 3446908 NPYBKZZNOLDVGD-UHFFFAOYSA-N 424.294 4.991 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nc2ccccc2c1=O 3469095 GRRDDGOUJRTXMC-ROUUACIJSA-N 421.566 4.576 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC(C)(C)NC2(C)C 4275300 TXNVOMSTJXDBFL-UHFFFAOYSA-N 420.962 4.990 0 40 HJAB C[C@H]1S[C@]2(C(=O)Nc3ccccc32)N(c2ccc3c(c2)oc2ccccc23)C1=O 4619985 PQDQYYSWUFOQND-JCQPUDPBSA-N 400.459 4.859 0 40 HJAB O=C(N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCCC1)C12CC3CC(CC(C3)C1)C2 4859874 FHXCVNQUQKFLFG-UHFFFAOYSA-N 419.569 4.801 0 40 HJAB O=C(COc1ccc(Cl)cc1Br)NCCSCc1ccccc1 5084962 XQJRIVXDDOAPRG-UHFFFAOYSA-N 414.752 4.531 0 40 HJAB COc1ccc2nc(N(CCN(C)C)C(=O)Cc3cccc4ccccc34)sc2c1 5115110 IIHVDVWKNSCMJC-UHFFFAOYSA-N 419.550 4.595 0 40 HJAB COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)cc2)cc1OC 5256263 HSKOBKUKFOKHRM-NRFANRHFSA-N 411.889 4.796 0 40 HJAB CCOc1c(Cl)cc(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)cc1OC 5367707 ZPKIOEDBSHGNPB-UHFFFAOYSA-N 419.905 4.975 0 40 HJAB CCCCCCS[C@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 5418325 LCPPJWHTLGKDMI-JOCHJYFZSA-N 412.599 4.691 0 40 HJAB COc1ccc(OC)c(-c2csc(NC(=O)CCc3c[nH]c4ccccc34)n2)c1 5632133 VZSBSAGSSGEZEB-UHFFFAOYSA-N 407.495 4.880 0 40 HJAB CC1CCN(C(=S)c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)CC1 6348781 LELJWXGPDFNPOD-UHFFFAOYSA-N 402.947 4.765 0 40 HJAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 6587103 CRRUSOSIBVSAPA-XMMPIXPASA-N 402.494 4.801 0 40 HJAB COc1cc(OC)cc(-c2nnc(S[C@H](C)c3nnc(-c4ccccc4)o3)o2)c1 7780827 PNJLSXWXMYSRPP-GFCCVEGCSA-N 410.455 4.657 0 40 HJAB O=C(/C=C/c1nc2ccccc2s1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8074594 NABSPVAJMDAYTO-DOJUMQAQSA-N 406.507 4.835 0 40 HJAB CCc1nnc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)s1 8719081 LTTIQTNFLULUPR-UHFFFAOYSA-N 423.929 4.788 0 40 HJAB CCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 9062690 XVVGAVHIQNWWCD-UHFFFAOYSA-N 414.977 4.700 0 40 HJAB CC(C)OC(=O)c1cccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1 9205006 YYAKNUAXQAESDO-UHFFFAOYSA-N 403.891 4.512 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)NCCCn2ccc3ccccc32)c1 9379044 DZLGYFLUQKRUQY-UHFFFAOYSA-N 403.482 4.645 0 40 HJAB CC(=O)Nc1ccc(NC(=O)Cc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 9523806 WGDGEBHEPUCBKJ-UHFFFAOYSA-N 415.468 4.968 0 40 HJAB CC(C)n1ncc2c(C(=O)Nc3ccc4c(c3)OCO4)cc(-c3ccccc3)nc21 9530893 VCHHOTPHKVWEKX-UHFFFAOYSA-N 400.438 4.660 0 40 HJAB COc1ccc(OC)c(/C=C/C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 9607989 AUHSRQBBXXFKMK-NOENIZQJSA-N 405.519 4.953 0 40 HJAB Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O 10371659 FLIVINCOFTVURN-UHFFFAOYSA-N 422.978 4.957 0 40 HJAB COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 11284473 NEHSJWSDSUHDIZ-ROUUACIJSA-N 418.493 4.592 0 40 HJAB CC(C)CCn1c(SCC(=O)N(C)[C@@H](C)c2ccccc2)nc2ccccc2c1=O 11828994 VLCIPZDYLSXYDU-SFHVURJKSA-N 423.582 4.754 0 40 HJAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1ccc(Cl)cc1Cl 12232646 FBJVBWCEIRLCOR-UHFFFAOYSA-N 421.305 4.838 0 40 HJAB C/C=C/c1ccc(OCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)c(OC)c1 12777463 SRDJNOWGPCRXSZ-VOTSOKGWSA-N 405.498 4.857 0 40 HJAB CCCOc1c(Br)cc(C(=O)N2CCCc3cccc(F)c32)cc1OC 12811766 SXWQDAHLGHZVAD-UHFFFAOYSA-N 422.294 4.979 0 40 HJAB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccc(Cl)cc1F 12897933 IRNZSHIINMXZHS-UHFFFAOYSA-N 417.893 4.692 0 40 HJAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(COc2ccccc2)cc1 12900046 APLXSJZOSLUQAN-UHFFFAOYSA-N 424.447 4.645 0 40 HJAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)ccc2C)n1CC 14085459 VJQJVADKSXFNNB-UHFFFAOYSA-N 410.543 4.711 0 40 HJAB CCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2F)cc1OC 15582771 WKISKBJGKPDBQU-UHFFFAOYSA-N 402.647 4.901 0 40 HJAB COc1c(F)c(F)c(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(F)c1F 16194431 PSCFTVVDJPMKGJ-UHFFFAOYSA-N 424.375 4.818 0 40 HJAB Cc1c(C(=O)NC[C@H](c2ccccc2)N(C)C)oc2ccc(Br)cc12 16599055 ULVWKIAMCJDSIU-QGZVFWFLSA-N 401.304 4.536 0 40 HJAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(c2oncc2-c2cnccn2)CC1 19374129 DBAAEVADHZBIOE-UHFFFAOYSA-N 424.504 4.747 0 40 HJAB Cc1c(C(=O)N2CCC[C@]3(CCC(=O)N3)[C@H]2c2ccc(F)cc2)oc2ccccc12 19566176 NTADPNZIZAICDB-VWNXMTODSA-N 406.457 4.506 0 40 HJAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCC3)c2c1 20381587 OQSFPFZFZBHMNF-UHFFFAOYSA-N 416.930 4.720 0 40 HJAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccc(F)cc1)c1ccccn1 20732239 GWWVETJXOLZZAM-UHFFFAOYSA-N 406.482 4.886 0 40 HJAB O=C(c1ccc(-c2ccccc2F)o1)N1CCN(Cc2nc3ccccc3s2)CC1 23957142 FPKLPCIMJHAKJC-UHFFFAOYSA-N 421.497 4.653 0 40 HJAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Br)cc2F)no1 24376568 JKHLFDIFUPQNEF-UHFFFAOYSA-N 422.279 4.824 0 40 HJAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccccc4)cc3)C2=O)o1 34690396 XTOVAJQXTAVXTM-DEDYPNTBSA-N 419.458 4.970 0 40 HJAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1 35170665 OYUAUFDWKZCDAV-UHFFFAOYSA-N 421.006 4.765 0 40 HJAB C[C@@H](NC(=O)Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(Cl)cc1Cl 40104072 KWKHMMLKGOERDE-CQSZACIVSA-N 407.345 4.628 0 40 HJAB COc1cccc([C@H]2SCC(O)=Nc3c2cnn3C)c1OCc1cccc(C)c1 49550221 SXASKSDXSCIZTE-OAQYLSRUSA-N 409.511 4.740 0 40 HJAB CN1CCCN(c2ccc(NC(=O)N[C@H](c3cccs3)C(C)(C)C)cc2F)CC1 58008267 ZLKRNYZLPTVBME-HXUWFJFHSA-N 418.582 4.938 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CCc1ccc(F)cc1)CC2 60921621 AJRSFHJAFUZLOE-AREMUKBSSA-N 419.496 4.950 0 40 HJAB FC(F)(F)c1cccc2c(N3CCC4(CCCN4Cc4ncc[nH]4)CC3)ccnc12 72480372 MUQOGEKMIXLPEP-UHFFFAOYSA-N 415.463 4.612 0 40 HJAB CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccccc1OCc1ccccc1)n2C 101488063 IWZBFQCTWLTCJO-OCOZRVBESA-N 418.518 4.959 0 40 HJAB CCc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 166043166 GVNUJPOEJXEXEX-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl 222757656 QCSDCRVBZDQGGL-HNNXBMFYSA-N 407.341 4.683 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 222822558 XNGNWKNTKDBGBO-OAHLLOKOSA-N 421.368 4.868 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 224387623 DQFXRCGQEKKAEJ-MRXNPFEDSA-N 421.368 4.725 0 40 HJAB Cc1cc(C)n(Cc2ccc(C(=O)NCCCc3ccc(OC(C)C)cc3)cc2)n1 225291456 YWIGXPMNIRLCOQ-UHFFFAOYSA-N 405.542 4.698 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 225543889 DBKKRGGZXFCWSW-URXFXBBRSA-N 424.585 4.876 0 40 HJAB CC1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 226069954 NZDKJILBTJCEBK-JOCHJYFZSA-N 405.623 4.889 0 40 HJAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNCc2ccnn2C)CC1 257245205 IOMXDBXOXZNGHH-IYARVYRRSA-N 424.614 4.837 0 40 HJAB CCOC1(C(=O)Nc2ccc(OCCN3CCC[C@H](C)C3)cc2)CCC(C)CC1 260818241 ZAGTXMRRVPGXPW-VIHQBZHPSA-N 402.579 4.721 0 40 HJAB COc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2ccccc2)cc1 408624234 GHEQZVOQSPUXMO-UHFFFAOYSA-N 405.878 4.883 0 40 HJAB Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)Nc1cccc(C)c1C 409382562 UBRNIAVGSRZDFT-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB Cn1cc(C(=O)N2CCC3(CCc4cc(-c5ccoc5)ccc43)CC2)c(C(F)F)n1 585105624 HRGPICCHKCUERU-UHFFFAOYSA-N 411.452 4.738 0 40 HJAB Cc1ccc2c(c1)[C@H](NC(=O)N1CCC[C@H](c3nc(-c4cccc(F)c4)no3)C1)CC2 592546082 PUXSSVUVUMVNHF-GHTZIAJQSA-N 420.488 4.761 0 40 HJAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cccc3ccccc23)n1C 899447 DEGJBRVDTTXKNK-OAHLLOKOSA-N 418.522 4.763 0 40 HJAB COc1cc(-c2nc3ccc(Br)cn3c2NC2CCCC2)ccc1O 904268 GUTZGHYMLUPIPL-UHFFFAOYSA-N 402.292 4.833 0 40 HJAB CCC(=O)Oc1cc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)ccc1OC 994426 YWFINWQYXMFVBL-NVNXTCNLSA-N 420.248 4.662 0 40 HJAB CCOc1ccc(NC(=O)CCSc2nnc3scc(-c4ccccc4)n23)cc1 1100446 RFGWPURZSQYZGL-UHFFFAOYSA-N 424.551 4.977 0 40 HJAB COc1cccc(N2C(=O)C[C@H](c3cn(Cc4ccccc4)c4ccccc34)C2=O)c1 1321752 WQZMFCZDRSEDAU-JOCHJYFZSA-N 410.473 4.745 0 40 HJAB biogenic O=C(Nc1ccc(F)cc1F)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 1400091 LPYNNIYVZYYYOL-UHFFFAOYSA-N 409.219 4.734 0 40 HJAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1 2264033 ZFWMWIUCNBPDOG-UUOWRZLLSA-N 412.264 4.535 0 40 HJAB CC(C)Sc1nnc([C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1 2391979 YBOIOOGZDRFKRI-INIZCTEOSA-N 402.520 4.860 0 40 HJAB CCc1nc(SCC(=O)Nc2cc(C)ccc2OC)c2oc3ccccc3c2n1 2444275 QKSXOUMRVCAGQD-UHFFFAOYSA-N 407.495 4.986 0 40 HJAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 2656107 WFPBKLIWTWKFSI-MRXNPFEDSA-N 410.518 4.567 0 40 HJAB CCN(CC)c1ccc(C(=O)NC(=S)Nc2nc(-c3cccs3)cs2)cc1 3188386 VFFSXVTVHGKFIJ-UHFFFAOYSA-N 416.597 4.845 0 40 HJAB COc1ccc(OC[C@@H](O)CNCc2cccc(C(F)(F)F)c2)c(C(C)(C)C)c1 3372590 FOKJIWSSJAUINK-KRWDZBQOSA-N 411.464 4.541 0 40 HJAB CCc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@H]2c2ccc3c(c2)OCO3)cc1 3672755 GQPVCXZJUNKPFE-VWLOTQADSA-N 413.477 4.906 0 40 HJAB C[C@@H]1CCc2sc(NC(=O)c3ccc(Cc4ccccc4)cc3)c(C(N)=O)c2C1 4177476 UDJDNZHKKFEVEG-OAHLLOKOSA-N 404.535 4.815 0 40 HJAB COc1cccc(C2=NN(C(C)=O)[C@@H](c3cc4ccc(OC)cc4nc3Cl)C2)c1 4306603 XXYIKYWDOMXTBF-OAQYLSRUSA-N 409.873 4.603 0 40 HJAB Cc1cccc(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 4341696 XNRABWUQBRPSCR-UHFFFAOYSA-N 409.902 4.508 0 40 HJAB COc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2C)cc1 4518117 YNFWPNNBFUGXFF-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(OC)cc2)cc1 4600121 BZVBZNXQUHOBFX-LCUIJRPUSA-N 400.434 4.935 0 40 HJAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCc4ccc(Cl)cc4)c(C)c3cc12 4743959 CKPBCQSRUFARQN-UHFFFAOYSA-N 409.869 4.977 0 40 HJAB C[C@@]12C[C@@H](NC(=O)N1c1ccc3c(c1)OCCO3)c1cc(Cl)cc(Cl)c1O2 4852952 CACPIVVJRZXDNT-AUUYWEPGSA-N 407.253 4.534 0 40 HJAB CC(C)C(=O)N1CCCc2cc(NC(=O)c3ccc(Br)cc3)ccc21 5099475 UGUWPHBPYUZHOM-UHFFFAOYSA-N 401.304 4.637 0 40 HJAB Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 5156477 PQVQBGVQNNUUHN-KRWDZBQOSA-N 408.866 4.961 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)/C=C/c1ccccc1Cl 6212207 CYWYSRPOWSFUMQ-FMIVXFBMSA-N 401.890 4.841 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1 6245113 AUCFAFHMVKSMFY-UHFFFAOYSA-N 412.445 4.934 0 40 HJAB CC(C)(C)C(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 6761700 IDYGKKYEVINMJI-UHFFFAOYSA-N 414.914 4.973 0 40 HJAB O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1c(Cl)cccc1Cl 6887205 AHCGTGBYNLSRGX-UHFFFAOYSA-N 404.702 4.921 0 40 HJAB C[C@H](NC(=O)CSc1nncn1-c1ccccc1F)c1cccc2ccccc12 7120749 MJICSXLBNCMYAE-HNNXBMFYSA-N 406.486 4.529 0 40 HJAB O=C(Cc1c(F)cccc1Cl)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 7670555 ZZFIJNSWDZCHJD-ZDUSSCGKSA-N 404.894 4.844 0 40 HJAB CN1/C(=C\C=C2\N=C(c3cccc(OC(F)F)c3)OC2=O)C(C)(C)c2ccccc21 7777501 SXCABEJUBOMWEF-YUQALFBESA-N 410.420 4.787 0 40 HJAB COc1cccc(NC(=O)[C@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 7848212 IDOYZBQUAXQXFI-XMMPIXPASA-N 415.493 4.614 0 40 HJAB CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCOC(C)C)cc1 8022506 KXROKEHGUCCHNT-QFIPXVFZSA-N 407.510 4.642 0 40 HJAB Cc1c(C(=O)CSc2nnc(NC[C@H]3CCCO3)s2)sc2ccccc12 8356531 RXFMNVACVQJDED-GFCCVEGCSA-N 405.570 4.627 0 40 HJAB CS(=O)(=O)Cc1cccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 8877174 LTFSHGZDHRPVIN-UHFFFAOYSA-N 422.531 4.760 0 40 HJAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 9107379 KEQDHJUJFIASCW-UHFFFAOYSA-N 420.896 4.837 0 40 HJAB COC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 9189900 CJXITHWNHJJKNN-DEOSSOPVSA-N 414.436 4.692 0 40 HJAB COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 9193037 DQOLYCJVCSLESA-HXUWFJFHSA-N 418.836 4.600 0 40 HJAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccoc1CSc1ccccc1 9216115 CKVJALBIQLRRMH-UHFFFAOYSA-N 404.491 4.686 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc(C)c2)cc1 10060297 CKBIRYADFKQQJG-ZEQRLZLVSA-N 424.504 4.976 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 11084080 PFMYQEBCSSVDPN-UHFFFAOYSA-N 422.941 4.981 0 40 HJAB O=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)Nc1ccc(F)c(Cl)c1 11835125 DIHPLQYOAFSBND-UHFFFAOYSA-N 421.856 4.898 0 40 HJAB O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc2ccccc2c1 12329519 KRNGRCWYIYOIEG-PKTZIBPZSA-N 423.940 4.877 0 40 HJAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(Cc4ccco4)C[C@@H]4CCCO4)[C@H]3C=C12 12884795 YSZZLAPSDPZFFH-RSLVGPPVSA-N 413.558 4.575 0 40 HJAB biogenic O=C(CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)Nc1ccc(F)cc1 13955653 DVIVITPXSBQELK-DEOSSOPVSA-N 413.452 4.881 0 40 HJAB CN(Cc1ccccc1Cl)C(=O)c1oc2ccccc2c1CSc1ncn[nH]1 14246277 DWZRXQCYAJGSTL-UHFFFAOYSA-N 412.902 4.769 0 40 HJAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)c1 14831691 WXVAWEOTJMXKAC-UHFFFAOYSA-N 413.543 4.587 0 40 HJAB CCc1cccc(CC)c1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 15396909 LRQWQHIMDHCZFP-UHFFFAOYSA-N 422.550 4.645 0 40 HJAB Cc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2cnccn2)cc1 16789572 AWRRESQDNDTLTP-UHFFFAOYSA-N 421.913 4.661 0 40 HJAB CN(CC(=O)Nc1ccccc1Br)C(=O)c1cc(Cl)sc1Cl 18019948 PTNNPCGYKGUMNV-UHFFFAOYSA-N 422.131 4.528 0 40 HJAB O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCCN(C[C@H]2CC=CCC2)C1 19370350 HVAAQCQXBXDJRA-PPJWLVRDSA-N 403.570 4.550 0 40 HJAB Cc1n[nH]c(C)c1[C@H](C)NC(=O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 19748482 VYNAFMMBKLQYBL-AWEZNQCLSA-N 422.495 4.525 0 40 HJAB COC(=O)CCC(=O)Nc1cc(C(F)(F)F)cc2c1S[C@@H]1Nc3ccccc3N21 20220501 URVROCRAPQWHNE-GOSISDBHSA-N 423.416 4.550 0 40 HJAB CC(C)N1C=C(Cc2ccc(F)cc2)C2=C(C1)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 20459291 FADZMELJKLGBMW-QHCPKHFHSA-N 419.475 4.877 0 40 HJAB COc1ccccc1CNc1ncccc1C(=O)Nc1cccc(Br)c1 22072643 NHKUXZUNWVMQSU-UHFFFAOYSA-N 412.287 4.717 0 40 HJAB c1ccc(-c2nc(CN3CCN(Cc4nc5ccccc5s4)CC3)cs2)cc1 22136947 CSTCGNKYFMTOHP-UHFFFAOYSA-N 406.580 4.738 0 40 HJAB CCOCCCNc1nnc(Sc2ncnc3sc4c(c23)CC[C@@H](C)C4)s1 22420288 QLPOSMWLMVBVQF-LLVKDONJSA-N 421.617 4.657 0 40 HJAB CCN(CC)Cc1ccc(CNC(=O)c2ccc(COCC(F)(F)F)cc2)cc1 22467167 YEKBKLNMRGTZCD-UHFFFAOYSA-N 408.464 4.537 0 40 HJAB CC(C)c1ccc([C@@H](C)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 23057338 TUKJYGWWSLYWSB-WZONZLPQSA-N 416.521 4.848 0 40 HJAB O=C(Nc1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1)c1ccco1 23397278 ZUQZPPJLYOVXBD-UHFFFAOYSA-N 411.266 4.640 0 40 HJAB Cc1cccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccc(F)cc3)no2)c1 32623676 XAZCKIOABYCMLR-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB Cc1ccc(-c2nnc(-c3ccc(C(=O)NCCN(C(C)C)C(C)C)cc3)o2)cc1 32841436 QNRXEMLKORMQGD-UHFFFAOYSA-N 406.530 4.561 0 40 HJAB O=C1N/C(=N\c2ccc(Cl)cc2C(F)(F)F)S/C1=C/c1ccc(O)c(O)c1 35644411 CQDCBSARTXEQOY-MKMNVTDBSA-N 414.792 4.662 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1OCC 39756949 ZUJBJZUYPWLTHR-FQEVSTJZSA-N 424.585 4.882 0 40 HJAB COc1ccc(CNCc2c(OC(F)F)ccc3ccccc23)c(OC)c1OC 48747632 UDYULNFRJYWVKH-UHFFFAOYSA-N 403.425 4.757 0 40 HJAB Cc1ccccc1NC(=O)c1cn(Cc2ccc(NC(=O)c3ccccc3)cc2)cn1 49422226 ZXALFWPQDGKJSZ-UHFFFAOYSA-N 410.477 4.744 0 40 HJAB CN(Cc1cnn(-c2ccccc2)c1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 57270786 PJHCICUBIVKZPF-XMMPIXPASA-N 414.484 4.823 0 40 HJAB CCN(C(=O)NCc1cccc(OC[C@@H]2CCCO2)c1)[C@@H](C)c1ccc(F)cc1 58168880 OFKCGBQORNBDEV-JTSKRJEESA-N 400.494 4.676 0 40 HJAB O=C(OCc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 58626456 MZMCZNVMTWHMDG-INIZCTEOSA-N 422.403 4.573 0 40 HJAB CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Nc2ccc(F)cc2)c2ccncc12 72275044 KEGHFWJQQUFMPG-JOCHJYFZSA-N 420.488 4.703 0 40 HJAB O=C(c1nc2ccccc2s1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177487 LWGFAYAPLWJHSL-ZDUSSCGKSA-N 424.526 4.974 0 40 HJAB CCc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 98072948 FGRXCHZYZGMFIV-UHFFFAOYSA-N 408.239 4.831 0 40 HJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]2CC[C@]2(C)c4c(C)nn(C(C)=O)c4C[C@H]32)C1 105364555 DLCTVKXJNPOKCT-KQAJCJRLSA-N 412.574 4.840 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC)cc1 222722466 RCYLRIPLIFFBNY-HNNXBMFYSA-N 421.368 4.652 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 223035696 FQKWGKRFGXOZQM-HNNXBMFYSA-N 405.907 4.576 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1 223035864 OSLWMNHMHWQSDJ-OAQYLSRUSA-N 408.586 4.824 0 40 HJAB Cc1ccc(SCCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 223721970 WEPURJXAHNAHRT-HXUWFJFHSA-N 424.610 4.953 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1c1ccc(OC2CCCC2)cc1 225361811 MCQHNRCVRMUYDV-FCHUYYIVSA-N 404.539 4.908 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 225542763 GMUQMGRRGCRHBC-AVRDEDQJSA-N 414.977 4.913 0 40 HJAB C[C@@H]1CCCN(c2cc(Cl)nc(NC(=S)NCc3ccccc3Cl)n2)C1 225938775 WZLHTNHYKRKGIU-GFCCVEGCSA-N 410.374 4.506 0 40 HJAB O=C(O)/C=C/c1cccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)c1 226323071 QLXBZWXYUXIQDY-CMDGGOBGSA-N 416.911 4.779 0 40 HJAB O=C(c1ccc(-c2ccc(Br)cc2F)o1)n1cc(CO)c2ccccc21 226769319 HUOOIGIKIZGCBH-UHFFFAOYSA-N 414.230 4.984 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3)n2)cc1 408696308 ZNQGTCCGZAPPDY-UHFFFAOYSA-N 404.857 4.849 0 40 HJAB COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(F)cc3)n2)c1 408696946 CNVAMVFQWMZKQZ-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB Cc1ccc(F)cc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 409006291 ISFFNNXBTDSXIL-UHFFFAOYSA-N 423.469 4.980 0 40 HJAB Cc1ccc(-c2nn(CC(=O)Nc3ccc(Br)c(C)c3)c(=S)o2)cc1 409151249 ASLBMYVGKSIJNJ-UHFFFAOYSA-N 418.316 4.891 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cccc(Cl)c2)cc1 409180542 WOTAXDZGYWKXST-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB O=C(NCc1ccc(Cl)cc1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 575616430 ZMDUSWRQHLSPGE-UHFFFAOYSA-N 423.948 4.753 0 40 HJAB CCOc1ccc(CN2CCOCCOc3ccccc3Oc3ncccc3C2)cc1 643563707 NRMUWMVAASUTIH-UHFFFAOYSA-N 420.509 4.684 0 40 HJAB Cc1ccc(CN2CCC3(CCCCc4ccccc4OC[C@@H](C)NC3=O)CC2)cc1 643567269 XIHQDHBPDYJWEA-JOCHJYFZSA-N 420.597 4.887 0 40 HJAB COC(=O)c1c(NC(=O)CSc2ccccn2)sc2c1CC[C@H](C(C)(C)C)C2 1438010 QXXKICNLEKAROL-ZDUSSCGKSA-N 418.584 4.812 0 40 HJAB CCOC(=O)c1ccc(NC(=O)Oc2ccccc2C(=O)OCc2ccccc2)cc1 1753037 YDTXWGPWGNQGSW-UHFFFAOYSA-N 419.433 4.831 0 40 HJAB CCc1ccc(OCCCC(=O)Nc2ccc(I)cc2)cc1 1775892 BHPWMPFNYNONMA-UHFFFAOYSA-N 409.267 4.651 0 40 HJAB CCCCCCNC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 2325278 UKZXQIOZUOLBGE-UHFFFAOYSA-N 419.504 4.664 0 40 HJAB CCOc1ccc(-n2c(N)c(C(=O)O[C@@H](C)CC)c3nc4ccccc4nc32)cc1 2440998 LIISEBNGENBCDN-AWEZNQCLSA-N 404.470 4.510 0 40 HJAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)CCc2ccccc2)c(OC)c1 4064842 LXBRFSSHLGAUPU-HRNNMHKYSA-N 423.553 4.531 0 40 HJAB biogenic COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1 4279907 LARYQKMKRIQRRI-XMMPIXPASA-N 403.478 4.500 0 40 HJAB Cc1oc2cc3oc(=O)c(CC(=O)NCc4cccc(Cl)c4)c(C)c3cc2c1C 4744116 KEZSKHUMZALMBN-UHFFFAOYSA-N 409.869 4.977 0 40 HJAB Cc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2cccc(Cl)c2)cc1 4816440 LYZCVPQVGPEGAN-UHFFFAOYSA-N 403.873 4.603 0 40 HJAB Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4ccccc4)nnc3c2c1C 4848133 XFGVBWSQQIFTCA-UHFFFAOYSA-N 411.556 4.810 0 40 HJAB C[C@]12C[C@H](NC(=O)N1c1ccc3c(c1)OCCO3)c1cc(Cl)cc(Cl)c1O2 4852949 CACPIVVJRZXDNT-LIRRHRJNSA-N 407.253 4.534 0 40 HJAB CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccccc3C)c2=O)cc1 4882476 UEKFKKRVUSUXKW-UHFFFAOYSA-N 420.534 4.586 0 40 HJAB CCCc1nc2sc3c(N[C@H](CC)CO)nc(SC)nc3c2c2c1CCC2 5478011 UBFPVKHCTYWDFI-LLVKDONJSA-N 402.589 4.585 0 40 HJAB COc1ccc(NC(=O)Cc2c(C)c3c(cc(C)c4c(C)coc43)oc2=O)c(OC)c1 6623925 DFILFDIYVJCBNU-UHFFFAOYSA-N 421.449 4.663 0 40 HJAB biogenic CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OCC)cc3)c2C)C1=O 6629521 CXXWEIQUBJBCTP-CPNJWEJPSA-N 412.511 4.717 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)cc1 7496932 PMRBVETXFRZIHN-UHFFFAOYSA-N 413.949 4.595 0 40 HJAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3ccc(F)cc3)sc2n1 7604204 QXJIMGAZPDCZFW-UHFFFAOYSA-N 402.520 4.795 0 40 HJAB CCOC(=O)Nc1cccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 8280689 GBGXUTBVIQEHBH-UHFFFAOYSA-N 406.467 4.884 0 40 HJAB Cc1cccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(F)cc2)c1C 8476596 JWRVSZIVZIUYMD-UHFFFAOYSA-N 400.457 4.620 0 40 HJAB COc1cccc(N2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)o3)CC2)c1 9516097 CHNMPMZRSUPPHC-UHFFFAOYSA-N 419.506 4.527 0 40 HJAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 11647855 RSRQIDDCUJADJA-UHFFFAOYSA-N 424.566 4.778 0 40 HJAB Cc1cccc(OCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1C 12539347 NLXAPXXEURDDHS-UHFFFAOYSA-N 417.509 4.987 0 40 HJAB C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1Br 12689263 NCWOZBHWNWBOAS-INIZCTEOSA-N 401.348 4.926 0 40 HJAB Cc1sc(NC(=O)C[C@@H](C)NC(=O)c2ccccc2)nc1-c1ccc(F)c(F)c1 12766640 QFJZEAAVZDBKRB-GFCCVEGCSA-N 415.465 4.544 0 40 HJAB Cc1ccc(-c2csc3ncn(Cc4noc(-c5ccc(F)cc5)n4)c(=O)c23)cc1 12928274 YJAOPNIANULCOV-UHFFFAOYSA-N 418.453 4.671 0 40 HJAB C[C@H](NCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(-c2ccccc2)cc1 14199163 QUCPJRKJXVVNFM-IBGZPJMESA-N 413.521 4.770 0 40 HJAB C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1CN1CCOC1=S 14200346 CRCPGUJCIPLCNA-PBHICJAKSA-N 411.958 4.904 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3nc(C(C)=O)cs3)c3ccccc3n2)cc1 15575691 LWKIZBHLWAPDJS-UHFFFAOYSA-N 403.463 4.822 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc(Cl)c1C 20061639 VVWWENGLYQQREK-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB COc1c(Cl)cc(C(=O)Nc2ccc(CSc3nc(C)n[nH]3)cc2)cc1Cl 20293600 SOCFMDKQUWHJRJ-UHFFFAOYSA-N 423.325 4.973 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2cccc(OC)c2)sc2c1CCCC2 20492864 QMKOOKIANSULGC-KRWDZBQOSA-N 417.527 4.608 0 40 HJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(C)c4OC)cc3n2)cc1 20611197 BQEAQZUOOZAMFJ-UHFFFAOYSA-N 400.482 4.861 0 40 HJAB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(Br)cc1 20988964 ZXHJASOLFOBBFO-UHFFFAOYSA-N 423.310 4.674 0 40 HJAB CC(C)c1ccccc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O 22382826 FFPQIUQDGBDURX-UHFFFAOYSA-N 415.342 4.522 0 40 HJAB Cc1noc(CSc2ccccc2C(=O)Nc2ccc(Br)cc2F)n1 22522674 GNKNWPIXEZZQAA-UHFFFAOYSA-N 422.279 4.824 0 40 HJAB CCOc1ccc([C@H](c2sc3nc(CC)nn3c2O)N2C[C@@H](C)C[C@@H](C)C2)cc1 22853983 CAGJIBIIVMKPNX-ZRGWGRIASA-N 414.575 4.525 0 40 HJAB COc1ccc(Cl)cc1NC(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1 23141007 CJXPXOGRILPFGO-UHFFFAOYSA-N 418.906 4.872 0 40 HJAB C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(OCc2ccccc2)cc1 24829055 IJGXTYBWDSJKSV-GOSISDBHSA-N 418.493 4.866 0 40 HJAB Cc1c(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)oc2ccc(Cl)cc12 24945253 YZGAJCSHOZAZOU-UHFFFAOYSA-N 409.873 4.682 0 40 HJAB Cc1sc(-c2ccco2)nc1C(=O)N1CCN(Cc2cccc3ccccc23)CC1 24977004 LZBHNNCZEDYJJT-UHFFFAOYSA-N 417.534 4.823 0 40 HJAB Cc1cc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nc2ccccc12 25042092 LEJFDUWWJKTYNL-UHFFFAOYSA-N 409.902 4.508 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc2ccsc2c1=O 27818386 JISQLRBMDBPRSN-UHFFFAOYSA-N 414.339 4.516 0 40 HJAB Cc1cccc(OCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1C 28288039 MTOHRQFUBHLEEM-UHFFFAOYSA-N 400.931 4.818 0 40 HJAB COc1ccccc1O[C@H](C)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 28288558 SLSNICGOSHEXRZ-CQSZACIVSA-N 416.930 4.598 0 40 HJAB CSc1ccccc1NC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 32691273 QMUPHVFHPBKMJK-GFCCVEGCSA-N 419.597 4.584 0 40 HJAB O=C(Cc1csc(-c2cccs2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 32740782 AXSCHBANWATCRQ-MRXNPFEDSA-N 412.536 4.549 0 40 HJAB C=CCOc1ccccc1/C=C1/S/C(=N/c2ccccc2Br)NC1=O 35644805 BGTMREPHTCQLAX-SFQUDFHCSA-N 415.312 4.906 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 36874549 KXZNPMASYURBTA-VLIAUNLRSA-N 402.416 4.847 0 40 HJAB O=C(CSc1ccc(F)cc1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 38518948 LVEKVQAQCQDHAO-UHFFFAOYSA-N 415.465 4.513 0 40 HJAB COc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1OC 38834963 CIRBJEQEFZNVCR-UHFFFAOYSA-N 423.340 4.861 0 40 HJAB O=C(NCCCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 39761401 UUNTXRKDBLDJDT-UHFFFAOYSA-N 405.369 4.954 0 40 HJAB COCCn1c(Sc2nc(-c3ccncc3)nc3ccccc23)nc2ccccc21 40040264 FWURMTVDYCULCF-UHFFFAOYSA-N 413.506 4.839 0 40 HJAB CSc1nccn1-c1cccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 40135756 YQSKDDJLTPVJPM-UHFFFAOYSA-N 403.511 4.649 0 40 HJAB Cc1csc(N(CC(F)(F)F)C(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)n1 40157895 ANFXCMMBXXFILQ-AATRIKPKSA-N 420.888 4.875 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2ccsc2c1=O 57426225 SEHNPAVYCJUQHQ-UHFFFAOYSA-N 415.584 4.968 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H](C(=O)N1CCCCC1)c1ccccc1 58297589 MYZCAWKLSUJJHP-GOSISDBHSA-N 405.420 4.581 0 40 HJAB COc1cccc(Cn2c(SCc3ccc(F)cc3)nc3ccccc3c2=O)c1 67258778 IDWPZOZSSQHGRQ-UHFFFAOYSA-N 406.482 4.885 0 40 HJAB CC(C)CC(=O)N1CCC[C@@H](c2nc(N3CCC[C@@H](C)C3)ncc2-c2cccnc2)C1 72348014 JHRWIUXJRNMLDQ-TZIWHRDSSA-N 421.589 4.527 0 40 HJAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4CCCCC4)C3)c(-c3ccncc3)c2c1 72396629 SYHHILDUADPGGW-OAQYLSRUSA-N 416.569 4.730 0 40 HJAB Cc1ccc(OCCCCNC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc1 78875850 YSEYQCPEYRMWOU-UHFFFAOYSA-N 413.905 4.606 0 40 HJAB O=C(Nc1ccc(Cl)cc1)N1CCC2(CCN(Cc3cccc(F)c3)CC2)C1 96046628 VRMRCVHCQPKLHY-UHFFFAOYSA-N 401.913 4.999 0 40 HJAB COc1ccc2c(ccn2CCC(=O)N[C@@H]2CCCc3c2[nH]c2ccc(OC)cc32)c1 96221378 BFRLXWXWQDKSCX-JOCHJYFZSA-N 417.509 4.724 0 40 HJAB biogenic O=C(Nc1ccccc1)OCC12CO[C@@H](c3ccccc3)N1[C@@H](c1ccccc1)OC2 100081737 PYYKMQXZDSPOMH-HCGNOCCLSA-N 416.477 4.734 0 40 HJAB O=C1/C(=C\Nc2nccs2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 100406729 BMGSYICPAGKWAP-WJDWOHSUSA-N 415.396 4.802 0 40 HJAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C1=O 101047489 FSNRYIANYKCYPE-FSSWDIPSSA-N 418.880 4.700 0 40 HJAB CC[C@H](C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1)c1ccccc1 220689680 KQWLVGBLFFFMST-HKUYNNGSSA-N 407.489 4.851 0 40 HJAB Cc1cccc(CCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c1 223322636 KHZXCSYBNPWYIZ-QJOMJCCJSA-N 418.562 4.885 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 224256786 CAWBHWXZNAKQGO-QHCPKHFHSA-N 424.585 4.615 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccccc1 225460292 AKGYTIARTXUPRF-UGKGYDQZSA-N 412.599 4.891 0 40 HJAB CCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 225715241 DFNLXPQWIMXCRU-NMMYMHLASA-N 402.579 4.864 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)CCc2ccccc2)c1 225840787 YDPBRNAKTFQHDP-URPBSQGJSA-N 418.562 4.965 0 40 HJAB CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 257252375 JUPDJHYLXADPKM-WIYYLYMNSA-N 424.610 4.749 0 40 HJAB CC(=O)NCc1cc([C@@H]2CCCN2Cc2ccccc2OCc2ccccc2)ccn1 257297921 RJIPKYROXBONLD-VWLOTQADSA-N 415.537 4.634 0 40 HJAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1 408564837 GACOZMUPMDFZOD-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408704995 WVBFAGLUUSVXDM-UHFFFAOYSA-N 414.914 4.729 0 40 HJAB CC(C)COc1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 408708533 JOHFUSYENLGCRY-UHFFFAOYSA-N 416.521 4.608 0 40 HJAB CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCc2ccc(Cl)c(Cl)c2)=N1 408991336 QEVZQJWCQZRMEY-KRWDZBQOSA-N 406.338 4.686 0 40 HJAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(OC(C)C)cc2)C1=O 409158774 LRKHWKZEFNXPLN-UNOMPAQXSA-N 424.522 4.766 0 40 HJAB O=C(COc1ccc(C(=S)N2CCCC2)cc1)Nc1cccc(Cl)c1Cl 409247147 CBYOVCGDHRPUHN-UHFFFAOYSA-N 409.338 4.782 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 409329587 GIVSWWLIQFTNQB-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB COc1cccc([C@H](CNC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)OC)c1 1202757573 LTIMJNMIJWPECK-QHCPKHFHSA-N 416.481 4.543 0 40 HJAB O=C(NCc1cccs1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 865673 SQOWGZOEORXAOR-GOEBONIOSA-N 406.433 4.535 0 40 HJAB COc1cc(CNc2cc(C)nc3cc(-c4ccc(C)cc4)nn23)cc(OC)c1OC 1340699 UNNNOBQLTBBRLL-UHFFFAOYSA-N 418.497 4.651 0 40 HJAB Cc1sc(NC(=O)Cc2cccs2)nc1-c1ccc2c(c1)CCN2C(=O)C1CC1 1366384 SUQYTWSOQSREBL-UHFFFAOYSA-N 423.563 4.660 0 40 HJAB O=C(c1ccccc1)[C@H](c1ccccc1)[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 1624365 DUESBWOCHRCRBK-AVRDEDQJSA-N 412.272 4.800 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(F)c2)N1Cc1ccco1 2449790 WCQOYIFFQDHUQL-LJQANCHMSA-N 409.800 4.924 0 40 HJAB COc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 2627889 DSWMNZADQRZLSD-NSHDSACASA-N 423.325 4.702 0 40 HJAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)NC1CCCCC1 2636018 WEQZBBDHYNNQAO-UHFFFAOYSA-N 418.632 4.977 0 40 HJAB COc1cc(-c2nnc(SCCOc3cccc(Cl)c3)o2)cc(OC)c1OC 2650970 QJCVSYUVPSODPP-UHFFFAOYSA-N 422.890 4.587 0 40 HJAB COC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(Cc2ccc(C)cc2)c1=O 2890001 KGALMVAOSCGLCI-UHFFFAOYSA-N 410.473 4.721 0 40 HJAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(N(C)C)cc1)c1ccccc1 3263851 NGBHMUVCEXFXML-QHCPKHFHSA-N 418.493 4.688 0 40 HJAB aggregator O=C(OCc1c(Cl)cccc1Cl)c1cccc(I)c1 3294088 KPCJVYMKKVJOTN-UHFFFAOYSA-N 407.034 4.955 0 40 HJAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1c(Cl)cccc1Cl 3320120 BIKWKWHSTZOFBB-UHFFFAOYSA-N 406.309 4.632 0 40 HJAB O=C(CSc1ccc2c(c1)OCCO2)Nc1nc(-c2ccc(F)c(F)c2)cs1 3403254 GTSXLJWILBWTBN-UHFFFAOYSA-N 420.462 4.590 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1c[nH]c2ccccc12 4138534 BJQJBRBQAJLSQO-UHFFFAOYSA-N 405.527 4.794 0 40 HJAB Cc1coc(C)c1C(=O)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 4555065 QBNZPBPGNUNQII-HSZRJFAPSA-N 409.869 4.557 0 40 HJAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)c(C)c1 4556259 ZBFZEDMBHXLXCI-HHHXNRCGSA-N 413.517 4.928 0 40 HJAB CC(C)COC(=O)N[C@H](C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)C(C)C 4777432 JZWTZKKTSOYQFB-FQEVSTJZSA-N 423.598 4.597 0 40 HJAB Cc1cc(NC(=O)[C@H](CC(C)C)NC(=O)C2CCCCC2)ccc1Br 4872500 VBEYULCPNNZINC-SFHVURJKSA-N 409.368 4.807 0 40 HJAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccn2)cc1 5340811 OWEMZGVYRVVULB-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB COc1ccc([C@H]2c3cc4c(cc3O[C@H](NNc3ccccc3)[C@H]2C)OCO4)cc1 5956698 WFBVRMMXMLCJRR-MRDSIPGCSA-N 404.466 4.527 0 40 HJAB COc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1 6747987 ZYVWDTSWAQEEMR-UHFFFAOYSA-N 403.866 4.822 0 40 HJAB Cc1cccc(C)c1NC(=O)COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1 6868103 MQHNRCSXPUTGRV-UHFFFAOYSA-N 411.457 4.784 0 40 HJAB CCOc1cc(C[C@H]2SC(=O)N(CC)C2=O)ccc1OCc1ccccc1Cl 6952925 PQSFMQBWVJWJNH-LJQANCHMSA-N 419.930 4.944 0 40 HJAB O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H](c2nc3ccccc3s2)C1 7221319 XFBDQLMHIBNFQV-AWEZNQCLSA-N 408.552 4.671 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)N(C)[C@@H](C)c4ccccc4)c(=O)c23)cc1 7375509 WXABSPUBOFDQJY-KRWDZBQOSA-N 417.534 4.653 0 40 HJAB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1 7388202 KFBNJUJBSKDTPR-UHFFFAOYSA-N 415.537 4.787 0 40 HJAB COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c(O)c(OC)c1 7884935 YKEKYWGHWRBCTI-NRFANRHFSA-N 410.857 4.834 0 40 HJAB O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 8093848 SFBPRXGJHUHOAI-SFHVURJKSA-N 402.523 4.561 0 40 HJAB Cc1ccc(-c2csc3ncnc(N4CCN(c5ccc(O)cc5)CC4)c23)cc1 8147001 CBBLJJJNOKKIID-UHFFFAOYSA-N 402.523 4.699 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 8498677 GGAPVSJTFNKOEQ-FQEVSTJZSA-N 400.906 4.762 0 40 HJAB O=S(=O)(c1ccccc1Cl)N1CCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 8649040 LFHVQJUKXYKRAU-HNNXBMFYSA-N 424.309 4.569 0 40 HJAB COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 8726528 NPYOXNPQTBCLNX-GOSISDBHSA-N 419.477 4.883 0 40 HJAB CCCc1nnc(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)s1 9206544 ZBIOSNHZOXBZCR-UHFFFAOYSA-N 423.926 4.618 0 40 HJAB O=C(CNC(=O)c1ccc2ccccc2c1)Nc1ccc(OCc2ccccc2)cc1 9477438 IEYXHIWTJRLSJU-UHFFFAOYSA-N 410.473 4.787 0 40 HJAB Cc1nc(-c2ccc(CNC(=O)c3sc(-c4ccccn4)nc3C)s2)cs1 10105413 YXBYHMNWRAMWLM-UHFFFAOYSA-N 412.565 4.937 0 40 HJAB COc1cccc(CN2Cc3ccccc3OC3(CCC(CN(C)C)CC3)C2)c1OC 12122627 KPQSVQVSIWCBEL-UHFFFAOYSA-N 424.585 4.589 0 40 HJAB COc1cccc(C(=O)c2sc3nc(-c4ccc(OC)c(OC)c4)ccc3c2N)c1 12250930 KIRFOSWKXDHVPA-UHFFFAOYSA-N 420.490 4.802 0 40 HJAB O=S(=O)(c1cccc(Cl)c1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 12361430 MALXZQRVKJAWBI-LJQANCHMSA-N 407.322 4.589 0 40 HJAB O=c1/c(=C/c2cccc(Oc3ccc(Cl)cc3)c2)sc2nc3ccccc3n12 12589866 XZEYHRWIMHJBKY-MOSHPQCFSA-N 404.878 4.903 0 40 HJAB COc1ccc([C@@H](CNC(=O)CCc2ccc(-c3ccccc3)o2)N2CCCC2)cc1 12760477 MLLBRBFXVAIFKH-XMMPIXPASA-N 418.537 4.841 0 40 HJAB Cc1ccc(C)c(Cn2c([C@H](C)NC(=O)COc3ccccc3)nc3ccccc32)c1 13030949 HLNWKRIUUBDJMP-FQEVSTJZSA-N 413.521 4.958 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc(Cl)c4)[C@@H]3C2=O)cc1 13514346 WNDKNSZFOUQZQR-FKBYEOEOSA-N 418.880 4.700 0 40 HJAB O=c1c2c3c(sc2[nH]c(=S)n1-c1ccccc1F)CN(Cc1ccccc1)CC3 14162733 YNKGQNUHTVVLIB-UHFFFAOYSA-N 423.538 4.807 0 40 HJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 14401444 GWXYUZNSFNPPGB-JOCHJYFZSA-N 410.514 4.554 0 40 HJAB Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccc(C)o3)N3CCC(C)CC3)cc(=O)c2c1 15860516 LCZASQIOYWIHAU-HXUWFJFHSA-N 422.525 4.514 0 40 HJAB O=C(CCc1nc(-c2ccsc2)no1)N1CCc2sccc2[C@@H]1c1ccccc1 16963914 DANALHXBTHKJEL-NRFANRHFSA-N 421.547 4.967 0 40 HJAB COc1cc(CN(CCN(C)C)Cc2ccccc2)ccc1OCc1ccccc1 19361817 JQQLEPVHIXSHCN-UHFFFAOYSA-N 404.554 4.838 0 40 HJAB CCC(=O)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 19498752 VGESAWWMUKYQED-KRWDZBQOSA-N 405.477 4.537 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2sc(C)nc2C)n1 19525558 XCWIAZRKUXANTR-IBGZPJMESA-N 421.570 4.932 0 40 HJAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 19694038 YECNHQJYOWVFBW-SFHVURJKSA-N 412.965 4.759 0 40 HJAB Cc1ccc2nc(COc3ccc(C(=O)N4CC[C@@H]5CCCC[C@H]5C4)cc3)cn2c1 23233248 ZNKUVEYZUAZQOY-FPOVZHCZSA-N 403.526 4.874 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 25981560 WKHOLDSSOGEONW-UHFFFAOYSA-N 404.388 4.819 0 40 HJAB CCCn1c(C)c(C(=O)NCCc2cccc3cccnc23)c2cc(OC)ccc21 32076268 YVOKERDVBHYNBR-UHFFFAOYSA-N 401.510 4.889 0 40 HJAB CC(C)C(=O)Nc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)s1 35310832 JBHDICYPASDEBB-UHFFFAOYSA-N 412.540 4.530 0 40 HJAB COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c1 38834767 SHBAGILJAGAORU-CQSZACIVSA-N 423.340 4.861 0 40 HJAB CCOC(=O)c1ccc(-c2ccc(/C=C3/N=C(c4cccc(C)c4)OC3=O)o2)cc1 41108852 CKATWSPUDJNBDA-XSFVSMFZSA-N 401.418 4.776 0 40 HJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(CN2CCCC2)cc1 44872939 SKFRKWHHZHPBLR-XMMPIXPASA-N 402.538 4.909 0 40 HJAB Cc1c(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)cccc1N1CCCC1=O 58394161 CWSWVEUHRGRWRV-UHFFFAOYSA-N 416.403 4.803 0 40 HJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cc(C)cc(C)c3)oc12 67298913 GOSFGNDJMPIEDM-LCUIJRPUSA-N 402.450 4.814 0 40 HJAB CCc1ccc(CNc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc23)cc1 72328486 KCRAOBLXYBCJII-UHFFFAOYSA-N 409.530 4.737 0 40 HJAB Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1 72354009 CJGAPXURISCWET-FQEVSTJZSA-N 420.532 4.986 0 40 HJAB O=C(Nc1ccccc1N1CCCC1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 89814109 UKZVOTRNHCDCBO-IBGZPJMESA-N 404.297 4.725 0 40 HJAB CC(C)c1noc(-c2ccc(NC(=O)C3(OCc4ccccc4)CCOCC3)cc2)n1 89893686 GYADPPQKVXHBER-UHFFFAOYSA-N 421.497 4.565 0 40 HJAB CCOCCCNC(=O)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96037900 JBJPYMCDNDSFMW-UHFFFAOYSA-N 407.495 4.775 0 40 HJAB COc1ccc(Cl)cc1NC(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96096603 XWUPTAAVOKVJFQ-UHFFFAOYSA-N 418.906 4.872 0 40 HJAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@@]6(C)[C@H]5C[C@H]4[C@H]3CN2C1 108235054 NEMWYOKGHGSVSC-GKRMQQBDSA-N 415.662 4.563 0 40 HJAB biogenic CCOC(=O)c1cn(Cc2ccccc2F)c2cc(C(F)(F)F)c(F)cc2c1=O 199801267 BUUSQCRUHYQAGS-UHFFFAOYSA-N 411.326 4.524 0 40 HJAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c(Cl)cc1O 222673947 ZLXDCLUODYGBPT-QQGDVQBRSA-N 403.935 4.819 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl 223132533 MCTOQXBJFMXKES-SJORKVTESA-N 418.940 4.744 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccccc1F 223599047 AJKWUJVLNDIVAE-QFIPXVFZSA-N 401.547 4.912 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 223634406 PFRWVPQMYXAQBI-FQEVSTJZSA-N 402.538 4.634 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 225212649 WVHBKTWYSXBMDR-DEOSSOPVSA-N 424.560 4.933 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 225451841 VGWYXMCDGJGWNE-RBUKOAKNSA-N 414.977 4.647 0 40 HJAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225584670 CBKMDYVZZPVFGP-KRWDZBQOSA-N 402.941 4.829 0 40 HJAB C[C@H]1Cc2ccccc2N1CCCNC(=O)CSCc1ccc(Cl)cc1F 225679520 OBBMIANGXAJETB-HNNXBMFYSA-N 406.954 4.670 0 40 HJAB COc1ccc(-c2nc(N3CCCC[C@H]3CCc3ccccc3)ncc2C(=O)O)cc1 257211490 BZBBYYZNYRBMJT-FQEVSTJZSA-N 417.509 4.842 0 40 HJAB CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@H]2C[C@H]2C)CC1 257238230 HKBITSVJGHKIFI-YKSBVNFPSA-N 418.581 4.687 0 40 HJAB COc1ccccc1CC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257258158 KSPJADHOZQHGAM-LJQANCHMSA-N 424.928 4.876 0 40 HJAB CCCCC(=O)N1CCC[C@@H]1c1ccc(C(=O)O)c(COc2ccc(Cl)cc2)n1 257274949 NNIDUQWUFKSZPN-HXUWFJFHSA-N 416.905 4.866 0 40 HJAB Cc1cccnc1C(=O)N1CCC2(CC1)CO[C@@H]1c3ccccc3OC(C)(C)[C@H]1C2 257330673 XPKVAARAOYYZIK-SIKLNZKXSA-N 406.526 4.561 0 40 HJAB COc1cc(C(=S)N2CCOCC2)ccc1OCc1c(Cl)cccc1Cl 408572343 GIQIWGYHCJJYJH-UHFFFAOYSA-N 412.338 4.589 0 40 HJAB Cc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 409412200 TXMPTAQIKQDZQP-UHFFFAOYSA-N 422.550 4.651 0 40 HJAB COc1cccc(Oc2ccc(NC(=O)N3CC[C@H](CN4CCCCC4)C3)cc2)c1 527083003 UGRKTLYKUNOPDX-LJQANCHMSA-N 409.530 4.827 0 40 HJAB CC1(C)CC[C@H]2C[C@@H](NC(=O)Nc3cccc(N4CCNC4=O)c3)c3cccc1c32 538437448 BNHMMOQWEHXMEW-MGPUTAFESA-N 404.514 4.638 0 40 HJAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(C(=O)c3ccccc3Cl)CC2)c1 585273999 YBVKZCVTTNVYPT-NRFANRHFSA-N 408.325 4.738 0 40 HJAB Cc1cc(NC(=O)N2CCC3(CC2)OCc2ccccc23)cnc1N1CCCC[C@H]1C 679570545 FQNNKQSIHQXYRI-LJQANCHMSA-N 420.557 4.822 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 860565 ONHWSZIYZWNOFV-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB Cc1cc(C)c2cc(CN(Cc3ccccc3)C(=S)NCC(C)C)c(=O)[nH]c2c1 907827 WQEJLEXDAAGJCS-UHFFFAOYSA-N 407.583 4.678 0 40 HJAB COc1ccc(NC(=O)c2ccc(CSc3nc(SC)ns3)cc2)cc1 1083519 ZMNCFLDIQHVVIP-UHFFFAOYSA-N 403.554 4.813 0 40 HJAB Cc1cc2cc(C)c3nnc(SCC(=O)Nc4nc(C)c(C)s4)n3c2cc1C 1223253 VMMQEEYFHCTMTP-UHFFFAOYSA-N 411.556 4.612 0 40 HJAB COc1ccc(NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1 1400785 FPUUZWGZMOHEAJ-UHFFFAOYSA-N 403.507 4.976 0 40 HJAB C[C@@H](O)CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 1447680 NTLBQEVTWTXZGF-CQSZACIVSA-N 412.415 4.899 0 40 HJAB CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccc(Oc2ccccc2)c1 2502852 VGCXFUUORYENPG-OAQYLSRUSA-N 422.506 4.692 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(C(F)(F)F)cc1 2627834 QYLCDPUQWCWUJA-UHFFFAOYSA-N 418.337 4.813 0 40 HJAB O=C(OCc1nnc(-c2ccccc2)o1)c1cn(-c2ccccc2)nc1-c1ccccc1 2645218 WIHADWRSIOVNMX-UHFFFAOYSA-N 422.444 4.946 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4Cc5c(c(C)nn5C(C)=O)[C@@]4(C)CC[C@@H]32)C1 4026049 DLCTVKXJNPOKCT-YMKPZFJOSA-N 412.574 4.840 0 40 HJAB CNC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCCCC2 4326521 XGGICESYPXPPLN-UHFFFAOYSA-N 403.356 4.997 0 40 HJAB C[C@H]1C[C@H](C)CN(C(=O)CCC(=O)Nc2ccc(OCCc3ccccc3)cc2)C1 4682595 NCNMSXIWNRRYJL-PMACEKPBSA-N 408.542 4.531 0 40 HJAB COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)NCc1ccccc1 4880767 MPXXAYOWNGOVIX-UHFFFAOYSA-N 411.933 4.863 0 40 HJAB c1ccc(-c2cc(-c3nnc4n3N=C(c3ccc5ccccc5c3)CS4)n[nH]2)cc1 5461182 BSOFDRLNOYQEHF-UHFFFAOYSA-N 408.490 4.847 0 40 HJAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)NC12CC3CC(CC(C3)C1)C2 6084740 NRYBUYKZDPROGC-UHFFFAOYSA-N 415.961 4.780 0 40 HJAB CCCCCN(CCCCC)C[C@H](C)NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 6264159 ITJXMCCGGULMMX-SFHVURJKSA-N 423.001 4.979 0 40 HJAB COc1cc2c(cc1OC)CN(C(=O)CSc1c(Cl)cccc1Cl)CC2 7006897 UZQIPNARWJXBJZ-UHFFFAOYSA-N 412.338 4.688 0 40 HJAB CCOc1ccccc1NC(=O)[C@H](Sc1nnc(C2CC2)n1C)c1ccccc1 7235183 GZGOBDIMLUNHPR-LJQANCHMSA-N 408.527 4.563 0 40 HJAB CN(Cc1nc2ccccc2s1)C(=O)COc1ccc(OCc2ccccc2)cc1 8264238 BJLIJGODPUDEON-UHFFFAOYSA-N 418.518 4.913 0 40 HJAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(OCC)c(OCC)c1 8917083 AZZQPBOXJIBVGV-QFIPXVFZSA-N 421.493 4.854 0 40 HJAB COc1ccccc1C(=O)Nc1ccc2c(c1)N(CCC(C)C)C(=O)C(C)(C)CO2 8959968 NANCKLJHIDUDRG-UHFFFAOYSA-N 410.514 4.745 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(C)c1 9391290 MKAXLWQRWVRSFR-UHFFFAOYSA-N 414.840 4.749 0 40 HJAB Cc1ccc(Nc2nc(NCc3cccnc3)nc3c2cnn3-c2ccccc2)cc1 9573509 RNLFSDGWFVSIPY-UHFFFAOYSA-N 407.481 4.875 0 40 HJAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1Sc1ccccc1 10334544 YEYZISZCPXSLGM-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB CCOc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)cc1 11835119 TWWDTPBYOQNPPO-UHFFFAOYSA-N 413.474 4.505 0 40 HJAB CCC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cs1 12237286 FIKNHXGGWYTXCS-UHFFFAOYSA-N 409.486 4.891 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3)C2)c2ccccc12 12757854 WPWGFOFEVRBBIK-MRXNPFEDSA-N 422.912 4.993 0 40 HJAB Cc1nn2c(C(F)(F)F)ccnc2c1/C=C/C(=O)N[C@@H](c1ccc(F)cc1)C(C)C 12768727 RRJHGPNETLXZCI-CSHXORCISA-N 420.410 4.722 0 40 HJAB Cc1noc(CSc2nc3cc(Cl)ccc3c(=O)n2-c2cccc(C)c2C)n1 12811352 JZFQBJWIWLSTDC-UHFFFAOYSA-N 412.902 4.640 0 40 HJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 14022754 BTURTRJABKFZHY-DEOSSOPVSA-N 416.521 4.764 0 40 HJAB C[C@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1Cl 15310109 OQIMFYMOSACETL-OXJNMPFZSA-N 414.933 4.516 0 40 HJAB CC(C)c1ccc(-c2cs/c(=N\c3ccccc3)n2CCN2CCOCC2)cc1 16949843 JYBQYBMVZXOMFE-IZHYLOQSSA-N 407.583 4.905 0 40 HJAB Cc1cc(S(=O)(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)ccc1F 17011171 OQLYTABATPBALF-UHFFFAOYSA-N 424.950 4.740 0 40 HJAB Cc1cc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(C(F)(F)F)n3)C2)on1 19119829 AAMFESLWVZWULA-LBPRGKRZSA-N 422.432 4.540 0 40 HJAB CC(=O)Nc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3Cl)o2)c1 19928662 DSTBXRGOHIFYDO-UHFFFAOYSA-N 422.293 4.977 0 40 HJAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1S(=O)(=O)Cc1ccccc1 20522876 KUNPQUYPILLEDY-UHFFFAOYSA-N 409.894 4.822 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Nc1cccc(CO)c1)c1ccccc1 21473280 BRGBUNZNSFRJTF-HXUWFJFHSA-N 400.400 4.990 0 40 HJAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN[C@H](C)c2cccs2)cc1 24985026 CLALINAOLFWYEJ-VGSWGCGISA-N 419.550 4.785 0 40 HJAB Cc1ccc(-n2c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nnc2-c2ccncc2)cc1 26966539 PGQXZEUVVWEKMU-ROUUACIJSA-N 421.570 4.519 0 40 HJAB O=C(Nc1nc(CN2CCCCCC2)cs1)c1csc(Br)c1 30610451 DKEGFQTVSMRPIK-UHFFFAOYSA-N 400.367 4.595 0 40 HJAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cccc(NC(=O)c2ccncc2)c1 31965999 WSPDRWGQWPNPBI-UHFFFAOYSA-N 411.461 4.750 0 40 HJAB O=C([C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2)N1CCCC1 36367246 YTQVZVXJVXCBJM-JOCHJYFZSA-N 406.501 4.895 0 40 HJAB Cc1ccccc1CSCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 39767506 GWABDFVOSXVSLS-UHFFFAOYSA-N 417.018 4.910 0 40 HJAB CC(C)[C@@H](NC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccc(Cl)cc1 41239739 CCHWIKTVFZSOJN-LJQANCHMSA-N 411.889 4.811 0 40 HJAB CCc1cc(=O)n(CC(=O)Nc2ccc(C)cc2Cl)c(-c2cccc(Cl)c2)n1 57527638 JZPLHXZJGUOPLU-UHFFFAOYSA-N 416.308 4.727 0 40 HJAB Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1F 71761702 KXAZOJATAQNFSN-UHFFFAOYSA-N 421.563 4.508 0 40 HJAB CCc1onc(C)c1-c1nc(NCc2ccccc2Cl)ncc1-c1cnccn1 72337524 BSICSDJRNKBBBJ-UHFFFAOYSA-N 406.877 4.725 0 40 HJAB Cc1ccnc(Nc2cc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)nc(C)n2)c1 72355965 OOYIDROIIARELN-OAQYLSRUSA-N 415.541 4.571 0 40 HJAB CC(C)CS(=O)(=O)CCC(=O)N(C)[C@H](c1csc2ccccc12)[C@H]1C[C@H]1C 89922048 JHCZQUCWXFTZIO-KUDFPVQQSA-N 407.601 4.518 0 40 HJAB COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)c2ccccc2)cc1 95945147 NDVUYEDRYIXJQJ-QHCPKHFHSA-N 416.477 4.704 0 40 HJAB CCN(CC)c1ccc(C(=O)/N=c2\sc3cc(Cl)ccc3n2CCOC)cc1 100872504 XPMYAEOCHXDXNH-LNVKXUELSA-N 417.962 4.590 0 40 HJAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl 222903160 BBDABPSFAGDYSO-CYBMUJFWSA-N 411.304 4.576 0 40 HJAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223557092 MRSDGPVEBRWLEE-HSZRJFAPSA-N 410.558 4.728 0 40 HJAB CC[C@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1 224262947 XWSFOXGSLHPVIK-QHCPKHFHSA-N 422.550 4.701 0 40 HJAB Cc1ccc(CN(C(=O)COc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224756661 PMHQNMUYPJMENS-OAQYLSRUSA-N 422.569 4.548 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 225051133 IUXAELSAQHKPDV-MSOLQXFVSA-N 400.950 4.523 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 225094898 SQGFOKQBDKHKTC-UXHICEINSA-N 412.599 4.560 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 225458754 YABRFINKQXVINZ-UGKGYDQZSA-N 412.599 4.809 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)N[C@@H](C)CC)cc1 225577331 AXHBYWMEXYRELH-GBXCKJPGSA-N 424.585 4.658 0 40 HJAB COC(=O)c1cc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)ccc1Cl 225577620 CBHYVMYURPUYJZ-MRXNPFEDSA-N 404.919 4.715 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCCSCc2ccc(F)cc2)c(C)c1 225615974 SOQLZATVVRRTIL-UHFFFAOYSA-N 420.575 4.921 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(OC)c(Cl)c1 225686369 MRWWSAGNFNDADR-INIZCTEOSA-N 406.935 4.946 0 40 HJAB CCOC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@H](C)C3)cc2)CCCCC1 225709294 HITIMQYROAGYIV-PMACEKPBSA-N 402.579 4.721 0 40 HJAB COc1ccccc1CNC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225833184 IBOBIHHSNJKAJU-UHFFFAOYSA-N 413.477 4.661 0 40 HJAB Cc1cc(N2CCCCC2)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 225972077 XXMYRIJQBVOHCI-UHFFFAOYSA-N 409.603 4.574 0 40 HJAB CCCCc1ccc(-c2nc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)sc2C)cc1 239425754 VEUVAJJBHUDSHS-INDMIFKZSA-N 410.539 4.923 0 40 HJAB CC1=CCC[C@H](C)[C@H]1CN1CC[C@]2(COCc3cnc(NCc4ccccc4)nc32)C1 247867228 JLXOAABJPNYWPB-AMZDPNTKSA-N 418.585 4.555 0 40 HJAB COc1cccc(CC(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)c1 257277379 NXSTYOFPGRIOFQ-QFIPXVFZSA-N 408.473 4.709 0 40 HJAB COc1ccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)cc1OC 408676891 OSXSKZVBHXUUIG-UHFFFAOYSA-N 418.424 4.584 0 40 HJAB CC(C)N1C(=O)S/C(=C/c2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)C1=O 409017027 VJDBPJPYNBYHHM-RGVLZGJSSA-N 420.490 4.833 0 40 HJAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CC1CCCC1)CCOCCO2 643572549 HKDNSZNWEJMMFJ-UHFFFAOYSA-N 407.554 4.904 0 40 HJAB CCCn1c(SCc2nc(-c3ccc(C)cc3)no2)nc2ccc(F)cc2c1=O 669560109 NIVFVAVHVYENIN-UHFFFAOYSA-N 410.474 4.596 0 40 HJAB Clc1cncc(OC2CCN(c3nc4cc(Br)ccc4o3)CC2)c1 1612553978 QPEIWAFVUCWMLJ-UHFFFAOYSA-N 408.683 4.687 0 40 HJAB CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1SCC(=O)c1ccccc1 976298 XXBVNERQMPURPS-UHFFFAOYSA-N 420.460 4.904 0 40 HJAB CCOC(=O)c1ccc(NC(=S)N2CCS[C@H]2c2ccc(Cl)cc2)cc1 1101462 RBWUSPJCTRYZMD-KRWDZBQOSA-N 406.960 4.961 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(F)cc1)N(c1ccccn1)C3=O 2703638 NFNLZTYYMHZTBX-OAQYLSRUSA-N 400.409 4.694 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2I)cc1 2746014 QLROOVDMAKUAHE-UHFFFAOYSA-N 423.250 4.500 0 40 HJAB COc1ccc(CN2C(=O)/C(=C\N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3C2=O)cc1 3425817 OBOIWTUNSQCWPD-SOILNGRVSA-N 418.537 4.633 0 40 HJAB COc1ccccc1[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1cc(C)on1 4301846 FDOQHIWTGIMCCS-IBGZPJMESA-N 422.824 4.501 0 40 HJAB COc1ccc(-c2nn(CN3CCCCC3)c(=S)n2-c2ccccc2)cc1OC 4570917 NPWBKOZVRBJRIU-UHFFFAOYSA-N 410.543 4.531 0 40 HJAB CCOc1ccc(-c2cnc(NCc3c(F)cccc3Br)n2C)cc1 4679002 JLAAYPDPCUXCAI-UHFFFAOYSA-N 404.283 5.000 0 40 HJAB C[C@@H](Nc1nc2ccccc2nc1NS(=O)(=O)c1cccs1)c1ccccc1 5557647 MGDNWBHLYUSOKL-CQSZACIVSA-N 410.524 4.665 0 40 HJAB Cc1cccc(COc2ccccc2C(=O)OCc2nnc(-c3ccccc3)o2)c1 5678955 IOQCVQYRNJBFAD-UHFFFAOYSA-N 400.434 4.981 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 5701509 OVMYZTHONWWCPK-MRXNPFEDSA-N 416.506 4.597 0 40 HJAB C[C@H]1CCc2sc(C(=O)O[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)cc2C1 5773212 HJWGKDLZRFXPJD-VHSXEESVSA-N 413.326 4.759 0 40 HJAB CN(C)c1ccc([C@H](CNC(=O)c2ccccc2F)c2c[nH]c3ccccc23)cc1 5898629 ZZVPVFVJAOFNMN-NRFANRHFSA-N 401.485 4.935 0 40 HJAB aggregator CCCCN(C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccccc1 5937343 ZZEVEDRWKQHWQS-UHFFFAOYSA-N 419.502 4.511 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)N1CCC[C@H]2CCCC[C@@H]21 7327707 YMEIZOFDHMIKFK-BEFAXECRSA-N 414.550 4.692 0 40 HJAB O=C(c1ccc(Cl)s1)N(CCCn1ccnc1)c1nc2ccccc2s1 7424424 QELUPKAEIGFRQH-UHFFFAOYSA-N 402.932 4.945 0 40 HJAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3c4c(nc5ccccc35)CCC4)o2)cc1 7477464 WMJBBBREKFOVIK-AWEZNQCLSA-N 415.449 4.700 0 40 HJAB O=C(CNc1ccc(Cl)cc1F)N1N=C(c2cccs2)C[C@@H]1c1ccco1 8192080 OUOHMSCOKDRQQG-MRXNPFEDSA-N 403.866 4.923 0 40 HJAB C[C@H]1Oc2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2NC1=O 8328725 SJYCXBMISCVPHV-OAHLLOKOSA-N 409.445 4.874 0 40 HJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3ccc(C)s3)ccc1O2 8961487 FURUKYHPZQRTGG-UHFFFAOYSA-N 414.508 4.548 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 8983245 HZZUBIVFIFNBHR-HNNXBMFYSA-N 411.889 4.657 0 40 HJAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2C)C1=O 9234038 HBPMFRYEPCADCX-UOEVCUDDSA-N 424.522 4.847 0 40 HJAB O=C(Nc1ccccc1)C1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)CC1 12746483 QXGODPYXDGGNOP-MDZDMXLPSA-N 403.309 4.884 0 40 HJAB Cc1sc2nc(CN3CCCC3)nc(NCc3ccc(CN(C)C)cc3)c2c1C 12798815 UKSIFKJCKRCAQX-UHFFFAOYSA-N 409.603 4.578 0 40 HJAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ncc(-c4ccccc4)o3)C2=O)cc1 13042335 MTGPFYHPSBAFPW-XMMPIXPASA-N 403.482 4.606 0 40 HJAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cc(Cl)cc(Cl)c1 13061238 LNGPBFIWJXJXNO-KRWDZBQOSA-N 407.297 4.540 0 40 HJAB Cc1ccc(NC(=S)N(CCN2CCOCC2)Cc2cccc3ccccc23)cc1 13692588 XHIKBNSBKQWBMC-UHFFFAOYSA-N 419.594 4.679 0 40 HJAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712474 SGYXGWDUJHKPRK-LJQANCHMSA-N 422.978 4.648 0 40 HJAB Cc1cc(C)cc(OCCN(C)C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1 14245288 XMJKUTGJZQYHCN-UHFFFAOYSA-N 406.482 4.608 0 40 HJAB COc1cc(CN(C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)ccc1OC(F)F 15144223 UGAGJRNDRZJARZ-ZDUSSCGKSA-N 412.864 4.717 0 40 HJAB COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(F)cc1F 17092559 ZYEZUQOFCLVFQZ-UHFFFAOYSA-N 421.035 4.751 0 40 HJAB O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccsc2)C1 19370918 TWANSWJNDYJRDR-DHLKQENFSA-N 419.594 4.845 0 40 HJAB COc1ccc(CN(CCCn2ccnc2)Cc2ccc3cc(F)ccc3n2)cc1 19554735 MIQJMMWMLKDXPQ-UHFFFAOYSA-N 404.489 4.672 0 40 HJAB CC(=O)Nc1ccc(CN2CC[C@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)cc1 19696157 NLXZTAUXUNOJPB-SFHVURJKSA-N 424.932 4.590 0 40 HJAB CNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C(C)(C)C)CC1 19700042 OOTWWLTVWILXBM-UHFFFAOYSA-N 406.570 4.605 0 40 HJAB Cc1noc2nc(C(C)C)cc(C(=O)N3CCC[C@H](c4nc5ccccc5n4C)C3)c12 19714752 CTRQXDHJFRQPEQ-INIZCTEOSA-N 417.513 4.561 0 40 HJAB Cc1nn(-c2ccccn2)c2nc(C3CCN(C(=O)CCC4CCCC4)CC3)ccc12 19744703 YTCSKSBKZOKGPC-UHFFFAOYSA-N 417.557 4.800 0 40 HJAB Cc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 19946335 ZBVKMCSCNSESBS-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 20495792 RFHJGCFYKLXJTM-LJQANCHMSA-N 407.558 4.699 0 40 HJAB COc1ccc2cc(CN(C)C(=O)c3ccc(CSc4ncn[nH]4)cc3)ccc2c1 22276019 WCEGTCOVPCYJGC-UHFFFAOYSA-N 418.522 4.531 0 40 HJAB Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)Cc3ccccc3N3CCCC3)c12 23749814 HUKPWRJOIAFOMV-UHFFFAOYSA-N 416.481 4.664 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1COc1ccccc1 24598139 ZTHYUFAFEAPYMT-UHFFFAOYSA-N 402.494 4.593 0 40 HJAB Cc1cc(C)cc(OCC(=O)Nc2cc(-c3ccc(Br)cc3)no2)c1 27747263 NRHKJCGSIIVLSU-UHFFFAOYSA-N 401.260 4.738 0 40 HJAB Cc1ccc(Nc2nnc(SCc3ccccc3Cl)n(-n3cccc3)c2=O)cc1 28536153 WUJYIYKGEGZCEM-UHFFFAOYSA-N 423.929 4.749 0 40 HJAB Cc1cc(C(=O)N[C@H](C)c2cccc(Br)c2)c(C)n1Cc1ccco1 30466480 ZDCPKPHTPFBHJP-CQSZACIVSA-N 401.304 5.000 0 40 HJAB COc1ccc(C)cc1[C@H](C)NC(=O)CCC(=O)CCC(=O)c1ccc(C)s1 30673286 GYEPAYGLLLDYHS-INIZCTEOSA-N 401.528 4.563 0 40 HJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 30751983 AVFPSHWBPUAVMJ-FQEVSTJZSA-N 416.521 4.948 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](C)S(=O)(=O)Cc1ccc(-c2ccccc2)cc1 32929952 MEQNDIAKRVCGLN-SFHVURJKSA-N 423.534 4.613 0 40 HJAB CN(Cc1ccccc1OC(F)(F)F)C(=O)NCc1ccccc1CN1CCCC1 40068827 FHGSNPKEJNASMB-UHFFFAOYSA-N 421.463 4.523 0 40 HJAB CN(C)c1ccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)c(C(F)(F)F)c1 44368162 CLZLLJMLBHTQRT-UHFFFAOYSA-N 402.420 4.843 0 40 HJAB Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccccc3C)CC1)CC(C)(C)O2 44855222 IVNQTMCUJMSECO-QHCPKHFHSA-N 406.570 4.934 0 40 HJAB COc1cc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCCCC2)cc(OC)c1O 71284690 MXPVTTUGLJIUTH-SFHVURJKSA-N 403.504 4.703 0 40 HJAB C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 79022634 XJOOPFNTCSLHAG-KBPBESRZSA-N 401.919 4.672 0 40 HJAB Cc1cccc(C)c1OC[C@H](NC(=O)CCc1nc(C(C)C)no1)c1ccccc1 84225483 OMNACMFXUOEQGK-FQEVSTJZSA-N 407.514 4.679 0 40 HJAB CCOc1ccc([C@H](N)c2n[nH]c(COc3ccc(C(C)(C)C)cc3)n2)cc1OCC 95534608 PMGHPWFBXWIQHQ-QFIPXVFZSA-N 424.545 4.527 0 40 HJAB O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccccc1Br 96119666 WUIRBFQPUPTLJL-UHFFFAOYSA-N 424.254 4.935 0 40 HJAB CCOc1ccc(NC(=O)COc2ccccc2C(=O)Nc2cccc(C)c2C)cc1 96191939 UONAIISETVPYCJ-UHFFFAOYSA-N 418.493 4.972 0 40 HJAB Cc1cccc2c(C(=O)NC(C)(C)CN3CCCCC3)cc(-c3ccccn3)nc12 141551352 AHRALVYRIJHRTI-UHFFFAOYSA-N 402.542 4.600 0 40 HJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1ccc2ccccc2c1 219036040 YXVFCTGKTGURFY-OAHLLOKOSA-N 407.495 4.767 0 40 HJAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 223408665 MOVNULQONDJVMD-MOPGFXCFSA-N 415.971 4.978 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 223638442 BJPNAEHDIFUSKW-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)cc1 224053441 NMOXLZDGOIJOOR-KRWDZBQOSA-N 416.562 4.558 0 40 HJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 224556477 FPFCYBKEPYZSIF-UHFFFAOYSA-N 406.935 4.968 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 225123092 IPJXWSAETNCUMG-XMMPIXPASA-N 424.585 4.796 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2ccccc2Cl)cc1 225471489 KEJIFJBGQASUSB-JWGURIENSA-N 422.912 4.761 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225719404 PGTHBMFZOFNDFR-FQEVSTJZSA-N 421.368 4.868 0 40 HJAB CCOC(=O)c1cc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)ccc1Cl 225791258 FPYJXLFYUAMPNT-HNNXBMFYSA-N 420.962 4.887 0 40 HJAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257200835 AFBRQQILKLANJA-KRWDZBQOSA-N 419.504 4.566 0 40 HJAB Cc1c(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc2n1Cc1ccccc1 408902829 LSYLJMUJALCEIU-IWIPYMOSSA-N 421.525 4.768 0 40 HJAB O=C(CN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O)Nc1ccccc1F 408932810 ZIPSHHOGYRQCBF-DHDCSXOGSA-N 424.375 4.520 0 40 HJAB Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 409025312 SYRWKMGRLNMROP-UHFFFAOYSA-N 404.535 4.797 0 40 HJAB COc1cccc(C(=O)/N=c2\sc(C)c(-c3ccc(Br)cc3)n2C)c1 409197980 SZMBYUMTEJPAIQ-VZCXRCSSSA-N 417.328 4.574 0 40 HJAB CCN1CCCCN(C(=O)CC(C)C)[C@@H](CC(C)C)COc2ccccc2C1=O 643582633 CCZAMJYBZHOLDB-FQEVSTJZSA-N 402.579 4.611 0 40 HJAB O=C(CSc1nnc2ccc3ccccc3n12)Nc1cccc(C(F)(F)F)c1 630202 VTANOCSYCGMGOM-UHFFFAOYSA-N 402.401 4.632 0 40 HJAB COc1cc(C(=O)NCc2cccc3ccccc23)cc(Br)c1OC 667538 ZWHNOFHVLALODW-UHFFFAOYSA-N 400.272 4.550 0 40 HJAB CSc1nc(NCCCCN)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 2417726 MHAJQNNGFRULIL-UHFFFAOYSA-N 401.605 4.724 0 40 HJAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCc1c(F)cccc1Cl 3275873 ALAIWNGTAZVZNR-UHFFFAOYSA-N 413.832 4.745 0 40 HJAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3nnc(-c4ccccc4)o3)cc12 3300840 RPBASTOVYMQETD-UHFFFAOYSA-N 416.462 4.802 0 40 HJAB aggregator COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1c(F)cccc1F)c1ccccc1 3343716 FOEIDVBXJVVYJK-NBVRZTHBSA-N 423.415 4.696 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2 3382397 SSTFUSFPXVHKCF-LLVKDONJSA-N 407.919 4.639 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4032239 UWCHXMLXDXSLPL-QGTQHSOKSA-N 418.647 4.647 0 40 HJAB CCCCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1S[C@@H](C)CC 4087524 OZTVRIRHBDDNAD-BZSISCHUSA-N 404.624 4.801 0 40 HJAB O=C(CSc1nc(-c2ccccc2)ns1)Nc1ccc(Br)cc1 4167238 WIKBCKZRZLXNPT-UHFFFAOYSA-N 406.330 4.698 0 40 HJAB COc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(C)c2)c1 4518094 SQHGZAGXPDOSID-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB CCCOc1c(Cl)cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc1OCC 4670672 FZNNBIIWQBJHAY-PDGQHHTCSA-N 415.873 4.881 0 40 HJAB CCOc1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1 4848828 IIXSMQQSUNLNHV-UHFFFAOYSA-N 403.507 4.629 0 40 HJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F 4936898 ZEEXPTIWZUOXSS-UHFFFAOYSA-N 401.437 4.819 0 40 HJAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc(-c2ccc(Cl)cc2)cs1 4995986 CPHQETPVCFPKLY-QGZVFWFLSA-N 402.859 4.762 0 40 HJAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2cccs2)cc1 5340076 YXZDNGVPLOXQBN-UHFFFAOYSA-N 401.491 4.830 0 40 HJAB O=C1[C@@H](c2ccsc2)N(c2ccc(Cl)cc2)C(=O)CN1c1ccccc1F 5484050 JWRRHUQQQOKAGZ-LJQANCHMSA-N 400.862 4.662 0 40 HJAB c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4ccncc4)=NN23)cc1 5529659 ZMLQAMBOQMCRMN-DEOSSOPVSA-N 410.521 4.617 0 40 HJAB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ncc(Cl)cc1Cl 5752313 WVYLOYRZIXOKFI-UHFFFAOYSA-N 415.276 4.775 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc2c(c1)OCO2 5866629 HHOINDCFAPLVJD-UHFFFAOYSA-N 411.483 4.747 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1Cl 6222336 NTFBZMVBFRUDCV-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 6529816 DHHUIWMQHZDCMB-SDNWHVSQSA-N 402.837 4.793 0 40 HJAB CC1CCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCC(C)CC2)CC1 6725306 TZQPDCPWRNZBLZ-AZTZNTAISA-N 423.601 4.716 0 40 HJAB CCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1C 7638185 QDLQZIIQOIVCJY-MRXNPFEDSA-N 406.482 4.681 0 40 HJAB CC(C)C(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1 8072055 JVYZZFSVXNIXQE-UHFFFAOYSA-N 419.319 4.840 0 40 HJAB Cn1c(S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)nc2ccccc21 8425308 LGGHPUQZNFPSAJ-SFHVURJKSA-N 413.930 4.540 0 40 HJAB Cc1ccc(CSc2nc(CC(=O)NCc3c(F)cccc3F)cs2)cc1 8936764 SNJPLDVQORFITI-UHFFFAOYSA-N 404.507 4.881 0 40 HJAB Cc1ccc2c(C)nc(Nc3nc(C)c(Cc4ccccc4Cl)c(=O)[nH]3)nc2c1 9288018 VUYHDLOIRJGEDM-UHFFFAOYSA-N 405.889 4.626 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1Cc1cccnc1 9293590 PSHFICVKAJQRQR-FQEVSTJZSA-N 420.827 4.726 0 40 HJAB CC(C)[C@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1cccs1 10850705 UJDVDLIOYDFLQL-QHCPKHFHSA-N 422.550 4.570 0 40 HJAB O[C@@H](Cn1c(-c2cscn2)nc2ccccc21)c1cccc(Br)c1 12525324 GJXPKRCKGTVRCA-KRWDZBQOSA-N 400.301 4.656 0 40 HJAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccccc2N2CCCC2)CC1=O 12537223 YUDBKLFFMHXZFJ-RTBURBONSA-N 405.542 4.792 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3cc(Cl)c(OC)c(OC)c3)n2)cc1 12847842 AAPNQJQIPKRIQU-UHFFFAOYSA-N 404.875 4.742 0 40 HJAB COc1ccc(OC)c(NC(=O)C2(c3cccc(Br)c3)CCCC2)c1 12851972 OYWWQJWFXXUCTH-UHFFFAOYSA-N 404.304 4.917 0 40 HJAB CCN(CC(=O)Nc1c(F)cccc1F)Cc1ncc(-c2ccc(Cl)cc2)o1 12983078 OMQROINXILQSTH-UHFFFAOYSA-N 405.832 4.734 0 40 HJAB COC(=O)c1ccc(CNC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 13001350 GQJVAENSDFYLAD-UHFFFAOYSA-N 404.249 4.970 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1 13321210 COMCMSUFENYBLB-UHFFFAOYSA-N 415.818 4.848 0 40 HJAB C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)[C@@H](O)C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C 13432980 XFTFIFNAWKMLKL-YAKMJAOHSA-N 422.949 4.753 0 40 HJAB biogenic,in-vitro C[C@H](Oc1ccc(Br)cc1)c1nc2c3ccccc3[nH]c(=S)n2n1 13497272 PBUIEOUONMVIBU-JTQLQIEISA-N 401.289 4.843 0 40 HJAB COc1ccc(NC(=O)c2sc3c(c2C)[C@H](c2cccc(F)c2)CC(=O)N3)cc1 15106635 HWDQYAGZWUOJCI-KRWDZBQOSA-N 410.470 4.931 0 40 HJAB COc1ccccc1Cn1ccnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 15825632 FTELOIQCFGPMCX-UHFFFAOYSA-N 421.444 4.690 0 40 HJAB CC(C)(C(=O)N[C@@H](Cc1cc(O)nc(C2CC2)n1)c1ccccc1)c1ccc(F)cc1 19085054 SCVIVCWFFOVHLZ-NRFANRHFSA-N 419.500 4.577 0 40 HJAB CC1CCN(C(=O)c2cc([C@@H]3CCCN(Cc4ccccc4Cl)C3)no2)CC1 19496760 AXTQJAJKVWKLGU-GOSISDBHSA-N 401.938 4.580 0 40 HJAB CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(C)ncc2-c2ccncc2)cc1 19532971 WPBMSXWZAPEICZ-HSZRJFAPSA-N 416.525 4.542 0 40 HJAB Cc1nc([C@@H]2CCCCN2C2CCCC2)nc2c1CCC(=O)N2CCc1ccccc1 19696074 YLANPNBTAHOPPP-QHCPKHFHSA-N 418.585 4.777 0 40 HJAB COc1ccc(CN(C)C(=O)CSCc2ccc(Cl)c(Cl)c2)cc1OC 20459943 BESHQLOXMDPYCQ-UHFFFAOYSA-N 414.354 4.902 0 40 HJAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2Cl)CC1 21578012 IHUPQLYUDSGPBD-UHFFFAOYSA-N 420.340 4.694 0 40 HJAB O=C(c1ccc(COCC(F)(F)F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 22326404 VRZHOOVWJPELNR-GOSISDBHSA-N 421.415 4.514 0 40 HJAB CCOc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1 24767537 ZGIYDCYBUVYRAX-XLIONFOSSA-N 407.510 4.826 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 26556419 CCIIRQLNJBUTFQ-DHIUTWEWSA-N 422.525 4.570 0 40 HJAB O=C(Nc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 26780010 SHEJCDLDXXYEGN-UHFFFAOYSA-N 419.865 4.924 0 40 HJAB COc1ccc(-c2c[nH]c3c(SCC(=O)Nc4ccc(C)c(C)c4)ncnc23)cc1 33291874 FHSGPSCZQPPCMP-UHFFFAOYSA-N 418.522 4.981 0 40 HJAB COc1cccc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1 36613902 XGFDUPJKYWMPED-CYBMUJFWSA-N 405.429 4.837 0 40 HJAB CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](c3ccc(N(C)C)cc3)[C@H]1[C@H]2C 38549509 MATUOSYEEAMWHP-OPCLUDPOSA-N 400.563 4.793 0 40 HJAB biogenic Cc1cc(Br)oc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 40140338 YILKEIXRRXYKFH-UHFFFAOYSA-N 415.291 4.588 0 40 HJAB Cn1c2c(sc1=O)[C@@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2c1ccccc1 49548592 JRPSOONCAARCPD-OAHLLOKOSA-N 404.413 4.666 0 40 HJAB O=C(COc1ccc(C2SCCS2)cc1)Nc1cccc(N2CCCC2)c1 55462883 KNFVZMUDZFVYSP-UHFFFAOYSA-N 400.569 4.783 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2SC[C@H](O)c2ccccc2)cc1C 58157578 ZRPUAWLQTYNNPR-NRFANRHFSA-N 413.564 4.930 0 40 HJAB CCOC(=O)[C@H](NCc1cc(=O)oc2cc(C)ccc12)c1cccc2ccccc12 58217989 RGWXYZOWEBPVLT-XMMPIXPASA-N 401.462 4.649 0 40 HJAB CCCCCc1nnc(NC(=O)C(C)(C)Oc2ccc3c(c2)CCCC3=O)s1 58230740 GUFDEFONPKRJJI-UHFFFAOYSA-N 401.532 4.586 0 40 HJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(Cl)cc2)nc1 67294340 QGHNRWMVTUWWJU-LVWGJNHUSA-N 405.841 4.980 0 40 HJAB CSc1cccc(NC(=S)Nc2ccc(I)cc2)c1 71761362 NXMGOUQUGHVQIK-UHFFFAOYSA-N 400.310 4.822 0 40 HJAB CCCOc1ccc(CNC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1 72331502 CNGCUYJWWIVZBW-UHFFFAOYSA-N 401.503 4.602 0 40 HJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2cccc(C)c2)no1 95482496 NSSJXYLOEOSNNY-HXUWFJFHSA-N 407.514 4.816 0 40 HJAB C1CCc2c(sc3nc(C4CC4)nc(NCc4nnc(C5CC5)n4C4CC4)c23)C1 95941770 VZZYSNZUBULOKG-UHFFFAOYSA-N 406.559 4.863 0 40 HJAB COc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c21 96221454 PWAZVNNTXXUOPG-SFHVURJKSA-N 414.413 4.615 0 40 HJAB biogenic COP(=O)(OC)C1(O)[C@@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 101032848 FVURVDZRDOAWTJ-WMDDLZNTSA-N 401.443 4.663 0 40 HJAB CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 102736300 XMMKDNVRLXROGB-XUFNMVPLSA-N 410.489 4.721 0 40 HJAB Cc1cc2oc(=O)cc(CN3c4ccccc4[C@H](C(N)=O)C[C@H]3C)c2cc1C(C)C 106566330 NIWBEZMPSOGMPA-IIBYNOLFSA-N 404.510 4.593 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 223101795 KKYKBIOEOLNTKV-XMMPIXPASA-N 402.538 4.634 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 223239280 PMEYSEPFWDYDSK-GOSISDBHSA-N 416.562 4.560 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1Cc1cccnc1 223469140 DLHHLCIQUBRLRH-XZOQPEGZSA-N 417.582 4.956 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1Cc1ccncc1 223511574 QJRIWRQOPSZRQA-DHIUTWEWSA-N 412.518 4.909 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 223562422 HYVCJAYKWMSTNK-JOCHJYFZSA-N 412.599 4.811 0 40 HJAB CC(C)(C)c1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 224178687 PLPBDRBOSIUHLK-UHFFFAOYSA-N 416.370 4.789 0 40 HJAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COc1ccc(C)c(C)c1 224294604 OVLXJZCNGHATCI-UHFFFAOYSA-N 419.477 4.550 0 40 HJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1cccc(CN2CCCC2)c1 224624516 PPIUMELDMIYZQD-XMMPIXPASA-N 402.538 4.909 0 40 HJAB CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224867078 RJJYXWLUJOAGOX-DEOSSOPVSA-N 406.570 4.794 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 224945390 SVAWQKOFJYEERX-INIZCTEOSA-N 421.368 4.788 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 225661721 OWJRSIVJODUQAW-WMZHIEFXSA-N 412.549 4.707 0 40 HJAB COc1ccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cn1 257268121 MKICKIMJRALWHV-IBGZPJMESA-N 411.889 4.690 0 40 HJAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)C2(c3ccc(C)cc3)CCCCC2)nc1 257344720 ZYKDRHVMRABUDW-XMMPIXPASA-N 419.569 4.592 0 40 HJAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)c(C)c1 408704117 XRULDHHFWSOWMN-UHFFFAOYSA-N 420.962 4.630 0 40 HJAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)CCCOc1ccc(Cl)cc1Cl 408713937 DDLZFCUIVNQFLD-UHFFFAOYSA-N 420.296 4.861 0 40 HJAB CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O 409020367 ONKSCLWQQHJFLL-SJPXOZHESA-N 410.495 4.539 0 40 HJAB CCOC(=O)C1=CNc2c(-c3cccc(Br)c3)cnn2[C@@H]1c1ccccc1 409026143 HJMJALDGLCKKMV-LJQANCHMSA-N 424.298 4.775 0 40 HJAB Cc1cccc(CN2C(=O)N/C(=C/c3cccc(OCc4ccccc4F)c3)C2=O)c1 409243796 UJWCTGWGXJNSHT-OEAKJJBVSA-N 416.452 4.806 0 40 HJAB O=C(NCc1cccc([C@@H]2C[C@H]2C(=O)O)c1)OCC1c2ccccc2-c2ccccc21 1536221593 WLHWYLTWURTYMX-XZOQPEGZSA-N 413.473 4.913 0 40 HJAB C[C@@H]1CN(c2ncnc3scc(-c4ccc(Br)cc4)c23)C[C@@H](C)O1 707035 YBNZRPRBCVXOSG-VXGBXAGGSA-N 404.333 4.734 0 40 HJAB CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1N1C(=O)CCC1=O 708895 DVAUGISBSWQUCJ-UHFFFAOYSA-N 405.475 4.912 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 798532 GAEDSDDFDGNUMX-UHFFFAOYSA-N 404.495 4.626 0 40 HJAB O=C(NCc1ccccc1)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 866475 CJBFKAWJPQWQGP-GDBMZVCRSA-N 406.433 4.535 0 40 HJAB CC(=O)c1cccc(NC(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n23)c1 902970 WVJKXFMLHOCPKW-UHFFFAOYSA-N 418.522 4.741 0 40 HJAB CCOC(=O)COc1ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc2c1 942553 KPFNBZAEHPCOPT-UHFFFAOYSA-N 422.355 4.854 0 40 HJAB biogenic CCOC(=O)c1cnc(SC)nc1Oc1cccc(NC(=O)c2ccc(C)cc2)c1 1394762 PQXUXTRUEFFEMJ-UHFFFAOYSA-N 423.494 4.728 0 40 HJAB aggregator CCOc1ccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)cc1 2246756 BKIIDJXRQLAFRU-UHFFFAOYSA-N 404.470 4.510 0 40 HJAB Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1C[C@@H]1CCCO1 2655565 PTSVKSRMFUUZJH-HNNXBMFYSA-N 410.297 4.630 0 40 HJAB Cc1ccc2c(COC(=O)c3ccccc3NCc3ccco3)cc(=O)oc2c1C 3364761 ANIDGSKPLRMMJT-UHFFFAOYSA-N 403.434 4.972 0 40 HJAB CCOC(=O)[C@@]1(C)C=C(Nc2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1 3672169 UJECVBORRUKVBJ-HXUWFJFHSA-N 405.281 4.658 0 40 HJAB CCOc1ccc2nc(NC(=O)CCC(=O)O[C@H]3CC[C@@H](C)[C@H](C)C3)sc2c1 4112028 HPDUZEAHPLHGLC-FMKPAKJESA-N 404.532 4.782 0 40 HJAB Cc1ccc(C)c(C(=O)COC(=O)c2cccc(NC(=O)Cc3ccccc3)c2)c1 4178458 VEPKVTGUGJCFRY-UHFFFAOYSA-N 401.462 4.524 0 40 HJAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2)c1 4660021 SUACEHFWSHLFRZ-QGZVFWFLSA-N 404.466 4.744 0 40 HJAB CCC(C)(C)NC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)C(C)(C)O2 4965846 TWYDCPCFUHEHHJ-UHFFFAOYSA-N 408.542 4.926 0 40 HJAB C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 5213567 BQDSKMODOIRYHK-CQSZACIVSA-N 401.919 4.620 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)OC(C)C)n2-c2ccc(Cl)cc2)c1 5485269 JKVQUTOJMACAQX-UHFFFAOYSA-N 401.919 4.940 0 40 HJAB COc1cc2c(cc1OC)C1=NC(=O)[C@H](C(C)C)N1C(SCc1ccccc1C)=N2 5756187 KRYIEDFHWXJXGF-FQEVSTJZSA-N 423.538 4.560 0 40 HJAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3nc(C)c(Cl)cc3Cl)n2)cc1 5866050 BMMDDGCMTUEPKK-UHFFFAOYSA-N 408.314 4.521 0 40 HJAB Cc1ccc2c(c1)[C@@]1(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2 6216516 HGURFNINUQLLNN-XUZZJYLKSA-N 415.880 4.997 0 40 HJAB COc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2Cl)cc(OC)c1OC 6810620 VJRTWKCNFJUHFT-UHFFFAOYSA-N 415.873 4.801 0 40 HJAB CC(=O)c1ccc(NC(=O)c2c(O)nnc(-c3ccccc3)c2-c2ccccc2)cc1 7995018 QUOSPBFFNALKID-UHFFFAOYSA-N 409.445 4.971 0 40 HJAB O=C(O)c1ccc(CSc2nnc(SCc3ccc(C(=O)O)cc3)s2)cc1 8716936 UKCZDKFEOZDYFF-UHFFFAOYSA-N 418.521 4.519 0 40 HJAB CCc1nc2ccccc2n1CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 9378145 BGHWCKPAQTZNED-JOCHJYFZSA-N 407.564 4.896 0 40 HJAB Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)n1 9573342 HJYKBRIKCZGQLS-SFHVURJKSA-N 417.513 4.535 0 40 HJAB CCc1nnc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)s1 11474940 XUWJIAZYFBUGBA-UHFFFAOYSA-N 404.495 4.994 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3c(F)cccc3OC)sc2C)cc1OC 11865756 JWMVEAUQXJALKI-UHFFFAOYSA-N 402.447 4.536 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(Br)cc1 12600866 GNKPYOJGVNRVQX-OLMNPRSZSA-N 411.336 4.539 0 40 HJAB CCCN(Cc1ccc(C)cc1)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 12791467 PECAMEAWJNQBTA-UHFFFAOYSA-N 423.582 4.854 0 40 HJAB CC(=O)N(c1nc(/C=C/C(=O)N2c3ccccc3C[C@H]2C)cs1)c1ccccc1F 12792440 DVQPQRUINWOGTD-AYJWMTRPSA-N 421.497 4.958 0 40 HJAB C[C@@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1Cl 12993625 HARWQBBJGPVJRT-GFCCVEGCSA-N 406.313 4.902 0 40 HJAB CC(C)Oc1ccc(CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 13647883 YRCRNVRIOBLWNO-UHFFFAOYSA-N 402.343 4.692 0 40 HJAB COc1cc(CN(C)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)ccc1OC(F)F 15144224 UGAGJRNDRZJARZ-CYBMUJFWSA-N 412.864 4.717 0 40 HJAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc21 16837558 LZOSZPYJYAXROD-UHFFFAOYSA-N 414.571 4.719 0 40 HJAB COc1ccccc1-c1cc2c(SCC(=O)Nc3cc(C)ccc3C)nccn2n1 16842099 DCHILYRBWSZVSI-UHFFFAOYSA-N 418.522 4.753 0 40 HJAB CCOc1ccc(NC(=O)CCc2csc(NC(=O)Nc3ccccc3)n2)cc1 16849054 XXKUVOAPOYMTFY-UHFFFAOYSA-N 410.499 4.757 0 40 HJAB COc1c(Cl)cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1Cl 17089475 BAIQDBIUMUPAAD-MRVPVSSYSA-N 413.326 4.540 0 40 HJAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(-c2cccs2)nc2ccccc12 18156182 JLUCNWXWAXPEPD-UHFFFAOYSA-N 402.475 4.964 0 40 HJAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN3C(=O)CCCn3ccnc3C)c2)c1 19692052 DJWPVAUTLRDJRP-VWLOTQADSA-N 416.569 4.938 0 40 HJAB Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCC1(c2cccc(F)c2)CCOCC1 19716868 DBQDMTMSRYUVAY-UHFFFAOYSA-N 408.517 4.639 0 40 HJAB O=C(O)COc1cc(NC(=O)c2ccc(Cl)cc2)ccc1-c1nc2ccccc2o1 20158296 IHBAMQKWFIPUPN-UHFFFAOYSA-N 422.824 4.864 0 40 HJAB CCCCc1ccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22393449 WITKJDMUYWXXNA-UHFFFAOYSA-N 402.560 4.557 0 40 HJAB CCc1cccc2sc(N(C[C@H]3CCCO3)C(=O)COc3ccc(F)cc3)nc12 22889172 LOHAIQFWSCUCKL-GOSISDBHSA-N 414.502 4.589 0 40 HJAB Cc1cc(C(=O)NCCc2ccc(Br)s2)c(C)n1Cc1ccco1 22994411 SCGNLDHNUCCQIX-UHFFFAOYSA-N 407.333 4.543 0 40 HJAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)CS2 23682262 BXBCNPUTASFPGG-UZLBHIALSA-N 402.903 4.525 0 40 HJAB Cc1nc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)sc1CC(N)=O 24901599 BJCHIJZFVFZERC-OAQYLSRUSA-N 421.547 4.677 0 40 HJAB Cc1cccc(OCCC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1C 24934856 MDKXXANSIQCONI-JOCHJYFZSA-N 403.526 4.511 0 40 HJAB Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCC(C)CC2)o1 28405169 DBFQRPKFWBFNBU-FQEVSTJZSA-N 404.938 4.518 0 40 HJAB COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)cc2)cc1 28527973 QXFOTJMNXXCGQC-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB CC(C)(C)n1nc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1C1CC1 36396912 GUULYDGQKDSOOB-UHFFFAOYSA-N 400.910 4.548 0 40 HJAB COCc1nn2c(C)c(C(=O)Nc3ccccc3)cnc2c1-c1ccc(Cl)cc1 38829777 UDVKMVTVTMSPBY-UHFFFAOYSA-N 406.873 4.757 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)Cc1ccc(Cl)cc1 40112181 VVLLFLFLKWDNDM-CYBMUJFWSA-N 415.946 4.993 0 40 HJAB O=C(NCc1ccccc1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 40287552 NDEKWBYYYZVXJG-HSZRJFAPSA-N 402.538 4.798 0 40 HJAB COc1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)cc1 54363519 RYFGSVILUBMNNA-UHFFFAOYSA-N 411.104 4.565 0 40 HJAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(Cc2ccccc2F)C4)cc1 55402550 VWXXUNQLCXBUNZ-UHFFFAOYSA-N 417.436 4.960 0 40 HJAB biogenic Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(Cl)cc2)cc1C 59502195 CFDSBBIOTMOLAD-UHFFFAOYSA-N 418.880 4.857 0 40 HJAB CCc1ccc(OCC(=O)NCc2ccc(-c3nc4cc(OC)ccc4o3)cc2)cc1 67207108 YVBAKYYJFKBNNR-UHFFFAOYSA-N 416.477 4.761 0 40 HJAB O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(Cc2cccc(Cl)c2)CC1 96625779 HTLLARKJPZIFMU-UHFFFAOYSA-N 410.867 4.887 0 40 HJAB C[C@@H](NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1)[C@@H]1C[C@H]2CC[C@H]1C2 108858663 QLKRCHVENNKNSU-YLAKUSLOSA-N 403.950 4.636 0 40 HJAB O=C(Nc1ccc(F)c(F)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 216310455 JQKNEKLDKJNNDL-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 222555578 KMYZFXVRDSHJHY-FQEVSTJZSA-N 418.990 4.764 0 40 HJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 222941287 KZEGGKFJKISARF-HXUWFJFHSA-N 407.514 4.850 0 40 HJAB Cc1nc(NC(=S)NCCCc2ccc(F)cc2)c(Cl)cc1Br 223965668 QJECPXSQXQFDQL-UHFFFAOYSA-N 416.747 4.864 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 223983630 CPSMHNHZQPPHIV-UHFFFAOYSA-N 424.522 4.619 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 225167265 QBMGQYZUSDAYQT-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 225589159 KDIMIEQNOWZDEN-PGRDOPGGSA-N 414.977 4.995 0 40 HJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)Cc3cccc(F)c3)CC2)n1 257302168 SBTXHQHVUXKBGS-XGAFWQRZSA-N 418.516 4.619 0 40 HJAB OCc1ccccc1CN(Cc1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 257339612 ZCMSWCSSOWQLDV-UHFFFAOYSA-N 401.485 4.770 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2c(C)cccc2C)C1 408639054 DZNHIOWXDLPBEJ-INIZCTEOSA-N 415.331 4.620 0 40 HJAB CCc1nnc(-c2cccc(NC(=O)c3cc(C)n(-c4ccccc4Cl)n3)c2)o1 538458778 PBOXCYPDFJTNEL-UHFFFAOYSA-N 407.861 4.699 0 40 HJAB Fc1ccc(CSc2nc(Nc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 575616922 SWFZXFGKXFHCCK-UHFFFAOYSA-N 405.454 5.534 0 40 HJAB CC(C)(C)c1nc(COC(=O)c2cnn(-c3cccc(Br)c3)c2)cs1 1128492322 ZVSUHKGWFVNSKG-UHFFFAOYSA-N 420.332 4.746 0 40 HJAB CN(Cc1ccccc1)[C@@H]1CC[C@@H](N(CCc2ccccc2)Cc2cccs2)[C@@H]1O 1848354836 NKWNCVNGKMSBJQ-TWJOJJKGSA-N 420.622 4.817 0 40 HJAB COc1ccc2nc3sc(C(=O)Nc4cc(Cl)ccc4OC)c(N)c3cc2c1 862122 INELSLGVNPXNJU-UHFFFAOYSA-N 413.886 4.955 0 40 HJAB O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)Nc1ccccc1 892210 VYBZAEHVMUDRIJ-UHFFFAOYSA-N 416.506 4.577 0 40 HJAB COc1ccccc1NC(=O)COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 937233 YNAHEEDGZNCVPA-UHFFFAOYSA-N 404.466 4.582 0 40 HJAB COC(=O)c1ccc(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)cc1 1324257 HUZLTXWBFABNFH-UHFFFAOYSA-N 408.454 4.929 0 40 HJAB COc1ccc(CNc2c(C)c(C)nc3cc(-c4cccc(F)c4)nn23)c(OC)c1 1355910 QRWQYNFFJWUSQA-UHFFFAOYSA-N 406.461 4.782 0 40 HJAB Cc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1-c1cccc(C(F)(F)F)c1 1401497 VEVQMTANHXTYHQ-UHFFFAOYSA-N 414.309 4.866 0 40 HJAB Cc1cc(C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)c(C)n1Cc1ccco1 2624508 UBLCHYCLQUCRIT-AWEZNQCLSA-N 411.523 4.972 0 40 HJAB O=C1CS[C@@H](c2nn(-c3ccccc3)cc2-c2ccccc2)N1Cc1ccco1 3165890 FFNBDJSCCINUMW-QHCPKHFHSA-N 401.491 4.907 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 3216465 VKSHVEOGTKCZCG-UHFFFAOYSA-N 407.853 4.675 0 40 HJAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 3364025 NYMPISIOEXWHHL-UHFFFAOYSA-N 424.522 4.762 0 40 HJAB CN(C)CCN(C(=O)c1ccc(Cl)s1)c1nc2c(Cl)cccc2s1 4359314 LKQYEEBBQFRIPM-UHFFFAOYSA-N 400.356 4.873 0 40 HJAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc(C(=O)Nc2nccs2)c1 4616458 WJUJITMVLXEIDU-OAHLLOKOSA-N 409.511 4.926 0 40 HJAB CCCN1C(=O)CS[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 4950338 VFEWHDFJBHMHHC-QHCPKHFHSA-N 423.538 4.541 0 40 HJAB Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1 5053880 SBXYGTTZCWHMPV-GOTSBHOMSA-N 414.415 4.769 0 40 HJAB CCOc1cc(C(=O)N[C@H]2CCSc3ccccc32)cc(OCC)c1OCC 5176804 KVPXFNDHRULVDF-KRWDZBQOSA-N 401.528 4.850 0 40 HJAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O 5304733 OXIWTFYAYZQEBU-VWLOTQADSA-N 422.500 4.525 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(OC)cc1 5500694 RKELAPXLJHRMHX-UHFFFAOYSA-N 416.934 4.666 0 40 HJAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1nc2ccccc2c(=O)[nH]1 5857813 TYMMEIJYNWXLSI-CQSZACIVSA-N 419.554 4.869 0 40 HJAB O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc(Oc2ccccc2)cc1 6100470 POKRWUSAUPOTST-UHFFFAOYSA-N 404.451 4.655 0 40 HJAB C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)Nc1ccc(C(F)(F)F)cc1 6121066 MMZPEHFAHGQYLY-FNDVETGQSA-N 414.383 4.837 0 40 HJAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccccc1C 6711113 NZEKABURCBTXEL-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 6790789 XMXSWMUKSUNSML-UHFFFAOYSA-N 414.505 4.844 0 40 HJAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2ccccc2s1 7217406 KGGHXGPRPKLWKX-AWEZNQCLSA-N 412.458 4.841 0 40 HJAB Cc1sc2ncn(CC(=O)c3ccc4c(c3)CCC4)c(=O)c2c1-c1ccccc1 7537501 HPIZHNPBNUAZJQ-UHFFFAOYSA-N 400.503 4.805 0 40 HJAB COc1cc(CC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc(OC)c1OC 7814411 DYOXEZMROZJWSX-UHFFFAOYSA-N 407.466 4.994 0 40 HJAB O=C(COc1cccc(C(=O)NCc2ccccc2)c1)Nc1ccc2ccccc2c1 8121253 OIVSFXBADUAPIK-UHFFFAOYSA-N 410.473 4.787 0 40 HJAB Cc1noc(C)c1CSc1ccccc1C(=O)N(C)Cc1ccc2c(c1)OCO2 8428392 SPQUNAJQJFRNJO-UHFFFAOYSA-N 410.495 4.585 0 40 HJAB Cc1cccc(C)c1NC(=O)CN1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 8981422 RAPRFNYZSAFSBJ-IBGZPJMESA-N 420.553 4.902 0 40 HJAB COc1ccc(N(Cc2cccs2)C(=O)CN2CCc3sccc3[C@@H]2C)cc1 8981666 NYZBEEUDPWNCKS-INIZCTEOSA-N 412.580 4.971 0 40 HJAB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccc(Br)o1 9221084 LZXKFUVYCZWKBO-UHFFFAOYSA-N 400.276 4.833 0 40 HJAB CCn1c2ccccc2c2cc(N[C@H]3C4=C(CCCC4)C(=O)N3CCOC)ccc21 9520009 HLBHYJKGBSYAGJ-XMMPIXPASA-N 403.526 4.912 0 40 HJAB Clc1cccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)c1 9762071 CAYGNNPGGNJXGA-UHFFFAOYSA-N 417.300 4.502 0 40 HJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(C[S@@](C)=O)c1 10030252 FQVUVOIWDQUUQT-MHZLTWQESA-N 401.915 4.751 0 40 HJAB Cc1ccc(C)c(NC(=O)Cc2csc(SCC(=O)c3cccs3)n2)c1 11694984 UFHFWMYAJMCIAB-UHFFFAOYSA-N 402.566 4.978 0 40 HJAB C[C@@H]1C[C@@H](C)CN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)C1 12419518 UPHJAAOGDLQXPI-ZIAGYGMSSA-N 420.918 4.903 0 40 HJAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)c1ccc(O)cc1O 12696899 JBWDLBJFHADRBV-UHFFFAOYSA-N 418.883 4.991 0 40 HJAB CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 13990809 LKJWSIJGMFQZHZ-UHFFFAOYSA-N 416.521 4.800 0 40 HJAB O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1cccc2ccccc12 14195500 JKUYMEMRRLQOFF-UHFFFAOYSA-N 414.336 4.907 0 40 HJAB FC(F)(F)c1cc(SC[C@H]2COc3ccccc3O2)nc2cc3c(cc12)OCO3 16524992 WOEXKSIMGDPAKA-LLVKDONJSA-N 421.396 4.914 0 40 HJAB C[C@H](O)CNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 16576470 UFJWAWLCPUUMFY-NSHDSACASA-N 419.146 4.805 0 40 HJAB C[C@H]1C[C@@H](C)CN([C@@H](c2ccccc2)c2sc3nc(-c4ccco4)nn3c2O)C1 16689773 UXNTVZZJUCUIIL-DAYGRLMNSA-N 408.527 4.824 0 40 HJAB O=C(Nc1cccc(NC(=S)NC(=O)c2cccs2)c1)c1cc2ccccc2o1 17092722 IISDKBUEMIEVNQ-UHFFFAOYSA-N 421.503 4.873 0 40 HJAB O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 17742503 AJPUEPMRXIILFA-UHFFFAOYSA-N 407.301 4.765 0 40 HJAB CCN(C(=O)Cc1ccccc1F)[C@H]1CCO[C@@H](c2ccc(-c3cncnc3)cc2)C1 19711992 FPGGIONVNAWAJC-LADGPHEKSA-N 419.500 4.594 0 40 HJAB COc1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1Br 20142288 ZULWYNWVWWJRHF-UHFFFAOYSA-N 419.058 4.715 0 40 HJAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccccc1 20456705 PENGPZBBQKAMDO-OAQYLSRUSA-N 408.523 4.677 0 40 HJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(N2CCCCS2(=O)=O)c1 21756257 YACCZJQPIZZASF-UHFFFAOYSA-N 422.506 4.661 0 40 HJAB COc1cccc([C@H](NC(=O)N[C@H](C)c2ccc(C(C)C)cc2)c2nccn2C)c1 29729885 IDQZIFQJSMUCNN-VGSWGCGISA-N 406.530 4.702 0 40 HJAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1 32770879 NVQAFXAAMCOOLQ-UHFFFAOYSA-N 414.303 4.665 0 40 HJAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)c(Cl)c2)c1OC 36364840 JNFOEKBKXQSHHV-ZDUSSCGKSA-N 401.825 4.806 0 40 HJAB CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1ccccc1F 40143042 CLMMOJKBAFYWMO-UHFFFAOYSA-N 417.234 4.710 0 40 HJAB COc1ccc(-c2nnc(SC[C@H]3CCOC3)n2C2CCCCC2)cc1OC 42129611 ZYNCENUJDRMFOY-HNNXBMFYSA-N 403.548 4.596 0 40 HJAB Cc1ccc(C)c(N2CCN(c3nc4c(-c5ccccc5)csc4c(=O)[nH]3)CC2)c1 56987116 KZSWVQUSYORFEM-UHFFFAOYSA-N 416.550 4.595 0 40 HJAB C[C@@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 57015942 KIHKEBIYSKTKBZ-AUSIDOKSSA-N 420.582 4.822 0 40 HJAB CCn1c(SCC(=O)NC[C@H](C)c2nc3ccccc3s2)nc2ccccc21 57994890 WFOXYSBPTTURCN-AWEZNQCLSA-N 410.568 4.678 0 40 HJAB Cc1nc(-c2cccc(F)c2)sc1C(=O)Nc1nnc(Cc2ccccc2)s1 61720904 SYGHXVFNZJIIFX-UHFFFAOYSA-N 410.499 4.952 0 40 HJAB CC[C@@H](C)n1c(SCC(=O)Nc2ccc(Cl)cc2F)nc2cc(C)[nH]c2c1=O 67238926 GBDRVTUWXHOUKW-LLVKDONJSA-N 422.913 4.527 0 40 HJAB COc1ccc(-n2c(SCc3cc(F)cc(F)c3)nc3ccccc3c2=O)cc1 67258865 VCNDIUJPKUWSBS-UHFFFAOYSA-N 410.445 4.965 0 40 HJAB O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1cc(F)ccc1Cl 67293317 WWIHEBMUVQQMBR-DAFNUICNSA-N 409.804 4.811 0 40 HJAB CC1(C)C[C@@H](NC(=O)C(C)(C)Oc2ccc([C@@H]3CC3(Cl)Cl)cc2)CCO1 72403504 TXHIXEPDUGQYFH-HOCLYGCPSA-N 400.346 4.579 0 40 HJAB CCCNC(=O)OC[C@]12CO[C@@H](c3ccc(N(C)C)cc3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 100741456 VIRYKNHSXXWHME-VNDAOJNNSA-N 400.563 4.795 0 40 HJAB biogenic O=S(=O)(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccc(Cl)cc1Cl 107864183 KEHIXNOYHZFQGC-UXHICEINSA-N 422.333 4.747 0 40 HJAB Oc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223109460 ASQHHRUYEQHNKA-PKTZIBPZSA-N 418.566 4.883 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1c1ccccc1 224160276 ITZTXFDNNVSTLZ-FGZHOGPDSA-N 400.507 4.702 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 225128376 MFBSMXQGCYYTGV-XMMPIXPASA-N 424.560 4.933 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 225200042 XWVPTSYYNBPTRY-ROUUACIJSA-N 400.950 4.523 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 225378981 LUFXQCVBOSXSRD-VWLOTQADSA-N 420.597 4.836 0 40 HJAB CCc1ccc2oc(-c3ccc(OC)c(OC)c3)cc(=N[C@@H](C(=O)O)C(C)C)c2c1 254297512 PJXWAOOGGCFXNT-HSZRJFAPSA-N 409.482 4.689 0 40 HJAB O=C(O)c1ccc(CN2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)cc1 257207387 BHMZXTVKSNGNMX-IBGZPJMESA-N 410.901 4.997 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2C)cc1 408629913 KHIWJOYVTQHRDK-UHFFFAOYSA-N 414.571 4.947 0 40 HJAB COc1cc(Br)c(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC 408808288 DULUCAOKIOPZBS-SXGWCWSVSA-N 420.284 4.707 0 40 HJAB COC(=O)c1c(NC(=O)CSCc2cc(C)cc(C)c2)sc2c1CCCC2 409109443 DYQQJIRIYPGOAP-UHFFFAOYSA-N 403.569 4.902 0 40 HJAB CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 409216605 JUGJUUXQVHKAPP-UHFFFAOYSA-N 408.571 4.983 0 40 HJAB Cc1cc(Br)ccc1-c1ccc(/C=C/c2nc3ccccc3c(=O)n2N)o1 575414829 WJPBEOCBXWCBDC-DHZHZOJOSA-N 422.282 4.612 0 40 HJAB O=C(N[C@H](Cc1nc(-c2cccc3ncccc23)no1)c1ccccc1)c1ccccc1 671157478 PXJOKIYLHSCPDH-HSZRJFAPSA-N 420.472 4.999 0 40 HJAB C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)CCc1ccc2ccccc2c1 1528017483 LQPXMADUQUBMPT-QFIPXVFZSA-N 416.565 4.522 0 40 HJAB CN(CC1CCN(C(=O)Nc2ccc(F)cc2)CC1)c1cc(C(F)(F)F)ccn1 1888890402 UZJIEOAGLMOWOJ-UHFFFAOYSA-N 410.415 4.620 0 40 HJAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2C)sc2c1CCCCC2 649462 RZIYSIVHKHQZDZ-UHFFFAOYSA-N 416.568 4.629 0 40 HJAB CCc1nnc(NC(=O)CSc2nc(-c3ccccc3)nc3c(C)cccc23)s1 887016 VEPVGDQRVWDHGJ-UHFFFAOYSA-N 421.551 4.750 0 40 HJAB Cc1ccc2cc(CN(Cc3cccs3)C(=O)c3cccs3)c3nnnn3c2c1 1367354 WDLRPEZZOOHJIP-UHFFFAOYSA-N 419.535 4.552 0 40 HJAB Cc1c(OC(=O)CCNC(=O)OC(C)(C)C)ccc2c(-c3ccccc3)cc(=O)oc12 2149005 CMSZHVWUDKOLOR-UHFFFAOYSA-N 423.465 4.589 0 40 HJAB biogenic CCOc1ccc([C@H](NC(=O)c2ccccc2OC)c2ccc(OC)c(OC)c2)cc1 2291592 QFTDZKAGRXAOOW-DEOSSOPVSA-N 421.493 4.631 0 40 HJAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(C)(C)C 2444869 ZBIVMMGMLXWCBY-UHFFFAOYSA-N 424.570 4.905 0 40 HJAB Cc1ccc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1C 3133830 XTSGIEKXXDGXKW-UHFFFAOYSA-N 400.400 4.785 0 40 HJAB O=C(OCC(=O)N1CCc2ccccc2C1)c1cc(-c2ccccc2)nc2ccccc12 3239800 JNVNXDIWLZPDGM-UHFFFAOYSA-N 422.484 4.644 0 40 HJAB CCCCn1c(SCC(=O)c2cc(C)n(C)c2C)nnc1-c1ccc(OC)cc1 4242054 HJXJUOCMTXTEGI-UHFFFAOYSA-N 412.559 4.684 0 40 HJAB COc1ccc(O[C@@H](NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)cc1 5165623 DCUFWGDMUKYHMH-OAHLLOKOSA-N 409.096 4.854 0 40 HJAB CCN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc3ccccc3c2)CC1 5172765 XOQXYSQJAWYKQN-UHFFFAOYSA-N 423.944 4.653 0 40 HJAB O=c1[nH]c(CSc2nnc(-c3ccco3)n2C2CCCCC2)nc2ccccc12 5313055 WJBCZQHGXQNIJF-UHFFFAOYSA-N 407.499 4.572 0 40 HJAB COc1ccc(NC(=O)CSc2ccc(-c3ccc(C)c(C)c3)nn2)cc1OC 5410828 IIQABPINDRJTAN-UHFFFAOYSA-N 409.511 4.508 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2cccs2)nn1-c1ccccc1 6336629 YSNZCPKKEXDVTK-UHFFFAOYSA-N 403.463 4.624 0 40 HJAB COc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1OC 6847545 XFXOCFNPOXNWPI-IBGZPJMESA-N 417.531 4.513 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1cc2ccccc2o1 7229907 KOGMPGONACTIFR-OAHLLOKOSA-N 418.522 4.860 0 40 HJAB CC1(C)Cc2cccc(OCC(=O)N3CCC(c4nc5ccccc5s4)CC3)c2O1 7987969 KJZFJIGEPLNLHD-UHFFFAOYSA-N 422.550 4.795 0 40 HJAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc2c(c1)CCC2 8156498 SFLAOLIDIBTMAN-HNNXBMFYSA-N 404.539 4.753 0 40 HJAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)ccc21 8840545 BWLZRWYQVIUVPP-UHFFFAOYSA-N 414.571 4.719 0 40 HJAB COC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 9189901 CJXITHWNHJJKNN-XMMPIXPASA-N 414.436 4.692 0 40 HJAB CCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccc2c(c1)CCCC2 9193363 NPXHBJDMQDRETR-IAGOWNOFSA-N 412.603 4.725 0 40 HJAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)N[C@@H](c1ccccc1)c1cccs1 9663485 ROZHCDPRIWPLEI-IBGZPJMESA-N 424.526 4.670 0 40 HJAB Cc1c(C(=O)N2CCC(c3nc4ccccc4o3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 9910983 ZEHJHVGOIJSTOS-UHFFFAOYSA-N 405.498 4.639 0 40 HJAB O=C1CCCN1c1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 10372550 FQUBHDWQWPCFDX-IXDOJHRFSA-N 417.534 4.800 0 40 HJAB Cc1nc2ccccc2c(C)c1CC(=O)NCCc1ccc(Br)s1 10821480 LLKLUDMRKYSQIJ-UHFFFAOYSA-N 403.345 4.577 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 11094154 VLARLPYJLMHPJI-QVKFZJNVSA-N 402.922 4.734 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Oc3ccccc3)c2)n2ncnc2N1 12289291 OXCFDRZSOVDVJK-HSZRJFAPSA-N 423.476 4.998 0 40 HJAB Cn1ccnc1[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 12560176 AYRMAZPOFBJLFM-GOSISDBHSA-N 408.716 4.829 0 40 HJAB CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1 12733873 YOZXLCUTKDECEM-UHFFFAOYSA-N 413.587 4.941 0 40 HJAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N[C@@H]1CCSc2c(F)cccc21 12783270 PUCLESQDTFYTPY-OAQYLSRUSA-N 420.509 4.576 0 40 HJAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 12908575 FEUHGTJLHAIDIF-AWEZNQCLSA-N 400.400 4.545 0 40 HJAB NC(=O)c1cccc(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)c1 12947335 WBZVDRSKPFVSFM-DEDYPNTBSA-N 408.404 4.566 0 40 HJAB C[C@H]1C[C@@H](N(c2ccccc2)S(C)(=O)=O)c2ccccc2N1C(=O)c1ccccc1 14607297 RSHDVNNVMVTUMA-FDDCHVKYSA-N 420.534 4.633 0 40 HJAB CSCC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1nnc2ccccn12 15973019 BIVBJFKWTWKWQH-IQIBNGDESA-N 421.353 4.660 0 40 HJAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)OCc1cn2cc(Cl)ccc2n1 17946232 CESMWEQILISMJR-GORDUTHDSA-N 419.264 4.559 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H]([C@@H]1CCCN(Cc3ccccn3)C1)N2 19083909 IGCPSBXJPFOGDX-SUMDDJOVSA-N 421.511 4.775 0 40 HJAB Cn1cc(CN2CCO[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)c2ccccc21 19693274 RINMIGGKPNYVGB-JOCHJYFZSA-N 418.928 4.862 0 40 HJAB CCN(CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)c3c4c(nn3CC)CCCC4)c2)C1 19712243 WNZFKEXYVUCGJK-OFNKIYASSA-N 424.589 4.596 0 40 HJAB CC(C)n1c([C@H]2CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)nc2ccccc21 19716741 IWMBAWYMDHDECQ-INIZCTEOSA-N 421.932 4.938 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 20041453 SWGJBQCVFXGTQO-SFHVURJKSA-N 408.523 4.595 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 26089667 OCVVJOBVDREKDW-UHFFFAOYSA-N 421.547 4.795 0 40 HJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2ccc(Br)cc2)no1 27747223 ZKMJXWZAMBUACI-NSHDSACASA-N 405.223 4.649 0 40 HJAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1ccc2c(c1)CCC2 27936366 JCRFRPRDJJQTHH-JTQLQIEISA-N 416.241 4.661 0 40 HJAB O=C(c1ccc(Cl)o1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 30181191 VLLBCIMGCRBHMN-UHFFFAOYSA-N 404.894 4.759 0 40 HJAB C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)c1nc(C(C)(C)C)no1 31688948 LFKRRYCRQYSQFE-AWEZNQCLSA-N 406.515 4.863 0 40 HJAB Cc1ccc(-c2nc(CC(=O)Nc3cccc(NC(=O)c4cccnc4)c3)cs2)o1 32454316 FKNCBIZIFNDYKZ-UHFFFAOYSA-N 418.478 4.540 0 40 HJAB Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N2CCCC2)cc1 32623514 BGRSMQJUCMFLBE-QHCPKHFHSA-N 403.526 4.834 0 40 HJAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(F)cc1Br 32930561 XHCYKPQCSVUYLY-UHFFFAOYSA-N 401.235 4.706 0 40 HJAB O=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)Nc1cc(F)ccc1F 32932739 HQMPWOMGGHZVDP-UHFFFAOYSA-N 405.788 4.514 0 40 HJAB Cc1ccccc1NC(=O)Nc1ccc(OCc2cc(=O)n3cccc(C)c3n2)cc1 33067878 CBZGPKUYGNMKMO-UHFFFAOYSA-N 414.465 4.534 0 40 HJAB COc1ccc(Nc2c(-c3cc(OC)c(OC)c(OC)c3)nc3ccccn23)cc1 33431716 IJTUGLCWKVKZBJ-UHFFFAOYSA-N 405.454 4.779 0 40 HJAB CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cc(C)ccc1OC 41078098 MHAFDFGXNLMEAH-UHFFFAOYSA-N 407.514 4.906 0 40 HJAB O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Cl)c(Cl)c1)N1CCOCC1 64819980 AGEPPLZHVKOVGE-UHFFFAOYSA-N 420.271 4.897 0 40 HJAB Cc1ccc(-n2nc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)cc1C 64950020 GROJRFDQUJJBND-UHFFFAOYSA-N 412.424 4.859 0 40 HJAB CC(C)(C)c1cc2nc(C3CCN(Cc4cccnc4)CC3)cc(C(F)(F)F)n2n1 72341087 CTEURYQIBCCULX-UHFFFAOYSA-N 417.479 4.820 0 40 HJAB O=[S@](CCSc1nccc(C(F)(F)F)n1)c1cc(Cl)ccc1Cl 95360786 YRNFBHHYZACNED-QHCPKHFHSA-N 401.262 4.702 0 40 HJAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3C)CC2)on1 100743898 ZGODBYAMLAUZPF-NRSFXHEJSA-N 410.562 4.784 0 40 HJAB Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 108029685 ARALYJXUGRLYCL-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB O=C(c1cncc(Br)c1)N1CCS[C@@H](c2ccccc2Cl)CC1 211146788 TVHYHPSTPPXCSK-MRXNPFEDSA-N 411.752 4.818 0 40 HJAB CC[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 219007128 OUAWXJISQHPPBA-XMMPIXPASA-N 421.562 4.756 0 40 HJAB CC[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCCC2 223058617 QOAVZKCVXKQVAO-IBGZPJMESA-N 408.361 4.758 0 40 HJAB COCc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccccc1 223060746 ZJSVXTXKCIZWFG-LLGFUMIMSA-N 416.525 4.855 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 223237029 QLGXGLKKURFYFX-INIZCTEOSA-N 421.368 4.870 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)n2)c1 223301041 NMTQHSIXYBRXGZ-SFHVURJKSA-N 407.514 4.903 0 40 HJAB CCC[C@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 223423706 QJCPAYHJXUPNAR-KRWDZBQOSA-N 418.559 4.962 0 40 HJAB O=C(CSCc1ccc(Br)cc1)NCCOc1ccc(Cl)cc1 223453413 RMJKQEGXRBWRNP-UHFFFAOYSA-N 414.752 4.531 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 223735827 ZSQGHVXPYGFCJR-QHCPKHFHSA-N 424.585 4.714 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(C)cc1 223779575 CFPFICHFOUNUOC-QGZVFWFLSA-N 418.990 4.684 0 40 HJAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1NS(=O)(=O)c1ccccc1 224046278 BCQYQMGFBAORJX-SFHVURJKSA-N 408.523 4.595 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C1CC1 224595530 SZNHQWONXHXBEH-FGZHOGPDSA-N 404.539 4.718 0 40 HJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1Cl 224953750 JOHHNXJGAUTRPG-UXHICEINSA-N 412.946 4.568 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 225194696 ZDSBUKMCKMGQDS-RTBURBONSA-N 414.977 4.831 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 225614813 ICEFGQWSTGSBJP-DYESRHJHSA-N 400.950 4.605 0 40 HJAB S=C(NCC1(c2ccccc2)CCCC1)Nc1nc(Cl)cc(N2CCCC2)n1 225972600 NDBRQQIPWFMGPO-UHFFFAOYSA-N 415.994 4.529 0 40 HJAB COC(=O)/C=C/c1cc(Cl)c(OCc2cccc(Br)c2)c(OC)c1 226337017 VPBPRHAILDZYHO-VOTSOKGWSA-N 411.679 4.876 0 40 HJAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCCN(Cc2ccccc2)C1 260822771 ABWVONLBYQGXMU-AEFFLSMTSA-N 413.359 4.639 0 40 HJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 408563799 QLZQZXWVNNQKJS-KRZKXXONSA-N 400.975 4.678 0 40 HJAB CC[C@@H](C)n1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c2ccccc21 409103493 HFKGTMAXMIYKFN-YFEUJDIGSA-N 400.500 4.600 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(F)c3)[C@](O)(C(F)(F)F)[C@H]2C1 409364666 XVWXMPPTVYAGEZ-FRIZHTMISA-N 400.416 4.741 0 40 HJAB NC(=O)/C=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 409416154 XUVVLPFTBLBAQE-WAYWQWQTSA-N 401.087 4.833 0 40 HJAB CO[C@@H]1CCC[C@H](C(=O)N2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)C1 585262659 PMUUMWVGFWZTPR-ZWKOTPCHSA-N 414.575 4.501 0 40 HJAB Cc1ccccc1C1CC(N(C(=O)c2ccc(NC(=O)C(C)(C)C)nc2)C2CC2)C1 1126595159 GCGZUXHYPPWHFS-UHFFFAOYSA-N 405.542 4.925 0 40 HJAB Cc1ccc(NCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)o2)c(C)c1 870440 XVJQOTIOXCSTJH-UHFFFAOYSA-N 410.543 4.955 0 40 HJAB COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccccn1 937891 GTYFLQUCEDBCCL-UHFFFAOYSA-N 417.284 4.612 0 40 HJAB O=C(Nc1ccc(Cl)cc1)Nc1snnc1C(=O)Nc1ccc(Cl)cc1 1416997 OIKVOALKPBCZIF-UHFFFAOYSA-N 408.270 4.741 0 40 HJAB COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)c(OC)c1 2403211 JEHZEASMFUOJGA-UHFFFAOYSA-N 407.495 4.973 0 40 HJAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4ccc(F)cc4)c3n2)cc1 2769856 FVYKNOFPUPAMOT-UHFFFAOYSA-N 410.399 4.711 0 40 HJAB CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 3296042 LPKUVZSRLMPRJF-ZDUSSCGKSA-N 415.950 4.557 0 40 HJAB CCN(C(=O)COC(=O)c1cc(O)c2ccccc2c1O)c1cccc2ccccc12 3331487 RMCDEMKXJAHXNM-UHFFFAOYSA-N 415.445 4.614 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccco1 3450776 UNBYUCJAEKXCSW-UHFFFAOYSA-N 408.886 4.717 0 40 HJAB Cc1ccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nnc2-c2ccncc2)cc1C 3568385 UECKVQGKDZCBIV-UHFFFAOYSA-N 423.586 4.684 0 40 HJAB C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 4286366 BJLULHBWLRCHEU-LBPRGKRZSA-N 405.281 4.978 0 40 HJAB O=C(NCc1ccc2c(c1)OCO2)c1cc2sccc2n1Cc1ccc(F)cc1 4971340 XHRPIWOTUGFTSF-UHFFFAOYSA-N 408.454 4.549 0 40 HJAB COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCCO4)=NN21 5603182 DJWBECKUPRJVFP-NBGIEHNGSA-N 414.461 4.709 0 40 HJAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 6242938 SGLIZSWRCKUTKI-OAHLLOKOSA-N 422.447 4.972 0 40 HJAB CCc1nnc(S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)O)o1 7342682 ZPTYTNOEPSLTFL-YBEGLDIGSA-N 403.891 4.911 0 40 HJAB CCC(=O)c1ccc(OCC(=O)N(Cc2cccs2)c2ccc(OC)cc2)cc1 8509852 RBOPXGDQAVKUOG-UHFFFAOYSA-N 409.507 4.962 0 40 HJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnc2ccc3ccccc3n12 8845915 ZRQCFTYGQHQODB-GFCCVEGCSA-N 412.902 4.664 0 40 HJAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cc(C)ccc1C 9002257 MACSNCUZFJXRAW-UHFFFAOYSA-N 415.536 4.928 0 40 HJAB O=C(CCn1c(=O)sc2ccccc21)Nc1nc(-c2ccc(Cl)cc2)cs1 9129934 IJDBDAKSNCVQME-UHFFFAOYSA-N 415.927 4.869 0 40 HJAB COc1cc2c(cc1NC(=O)COC(=O)[C@]1(C)CC1(Cl)Cl)oc1ccccc12 9631216 PQPDAUGRHONLRV-IBGZPJMESA-N 422.264 4.660 0 40 HJAB C[C@@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 9910161 OMDROCZAQPXTJL-JPYJTQIMSA-N 414.505 4.900 0 40 HJAB O=C1C[C@@H](C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c2ccccc2N1 10642675 SDFDRUXFBPEBHE-LLVKDONJSA-N 413.193 4.532 0 40 HJAB O=C(Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21)NCc1ccccc1 11695952 YFBRCFJTVSESFM-UHFFFAOYSA-N 408.461 4.675 0 40 HJAB Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 12180361 XPBHXKWXTQLOCE-UHFFFAOYSA-N 420.534 4.530 0 40 HJAB Cc1cc(Sc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)nc(C)n1 12537623 RLRPQPLQFGBXPA-OAHLLOKOSA-N 412.538 4.511 0 40 HJAB Cc1cccnc1-n1c(SC[C@H](O)c2ccc(Cl)cc2)nc2ccccc2c1=O 12633941 WSCUBKYJPFYKCW-IBGZPJMESA-N 423.925 4.568 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 12767797 XHWLQSDUJINAHZ-QFIPXVFZSA-N 412.942 4.996 0 40 HJAB COCCn1c(SCC(=O)N(C)[C@@H](C)c2ccccc2)nc2cc(Cl)ccc21 12820275 KUTFWBCIXJAADW-HNNXBMFYSA-N 417.962 4.648 0 40 HJAB CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2 13378641 WCWOWFQELCQQCI-AUSBBASTSA-N 424.493 4.716 0 40 HJAB biogenic,in-vitro O=C1C[C@H](c2ccco2)Cc2nc3nc(SCc4cccc(Cl)c4)nn3cc21 13634308 SORPYLXGURZHCU-CYBMUJFWSA-N 410.886 4.576 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1 16262978 CRUYYQAENYJSKV-FQEVSTJZSA-N 409.848 4.992 0 40 HJAB Cc1ccc(C(=O)N2CCC[C@@H]2c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)cn1 19214875 YWKHNBAEUVTUHK-QGZVFWFLSA-N 417.435 4.552 0 40 HJAB O=C(N[C@@H](c1ccccn1)C1CCN(Cc2cccc(Cl)c2Cl)CC1)C1CC1 19400854 KHEZHXZNJZYTMR-OAQYLSRUSA-N 418.368 4.868 0 40 HJAB CC(C)C(NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)C(C)C 20239765 GZQYPOYKUYRCBY-DEOSSOPVSA-N 410.583 4.871 0 40 HJAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 22456611 DWRABJNEQIGMGF-UHFFFAOYSA-N 407.841 4.578 0 40 HJAB C[C@@H]1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc2S1 22989884 USGOELSQWZAEQK-CYBMUJFWSA-N 405.445 4.973 0 40 HJAB C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)[C@@H](c1ccccc1)N1CCOCC1 23873050 VNGUSSDYXGOPJD-NLFFAJNJSA-N 400.522 4.545 0 40 HJAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(NC(=O)C2CC2)cc1 27292346 JFLZADRUCFJNMR-MRXNPFEDSA-N 403.482 4.500 0 40 HJAB CCCCNC(=O)c1ccccc1NC(=O)CCc1ccc(OCC)c(OCC)c1 30867473 SJHYVGPIZFQOLK-UHFFFAOYSA-N 412.530 4.585 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1 32578924 QOHZGHVQYXPUTN-INIZCTEOSA-N 409.486 4.515 0 40 HJAB CSc1cccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c1 33272028 MYEFJUZZHMNEGW-UHFFFAOYSA-N 424.547 4.775 0 40 HJAB CCN1CCc2nc(NC(=O)c3cc(-c4ccco4)nc4ccccc34)sc2C1 33421967 GIJGDDUWZDMAIQ-UHFFFAOYSA-N 404.495 4.582 0 40 HJAB Cc1cc(-n2nnc(C(=O)OCc3ccc(Cl)cc3)c2C)ccc1Br 35479026 VSOPUHVQOWZOCN-UHFFFAOYSA-N 420.694 4.657 0 40 HJAB CC(=O)Nc1ccc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)cc1 36391381 VSCXBXSTGHPVKA-UHFFFAOYSA-N 406.526 4.579 0 40 HJAB CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)cc2)CC1 38756846 FJRURYLSMUGYNI-UHFFFAOYSA-N 407.558 4.699 0 40 HJAB CCc1nn2c(ncc3c(=O)n(CCc4ccccc4)ccc32)c1-c1ccc(F)cc1 40396740 HXGSYZNBNHEXBI-UHFFFAOYSA-N 412.468 4.655 0 40 HJAB O=C(NCCOc1ccc(Cl)cc1)c1cc(-c2ccc(Br)cc2)on1 41157560 CRYWSQVVNVHZDO-UHFFFAOYSA-N 421.678 4.566 0 40 HJAB Cc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)CCn3ccnc3)c2)cc1Cl 45811170 LSPDJKSZCNTMAI-BQYQJAHWSA-N 408.889 4.526 0 40 HJAB O=C(c1sccc1Br)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 48333601 FLDOGRGVELRWKM-CQSZACIVSA-N 408.317 4.649 0 40 HJAB C[C@@]1(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2F)CC1(Cl)Cl 58367907 WMLCTOIZUWIOSN-PXNSSMCTSA-N 421.299 4.696 0 40 HJAB Cc1ccc2cc(-c3noc(CCC(=O)Nc4ccc(C(C)C)cc4)n3)c(=O)[nH]c2c1 64789928 YAAIXAMFJIGWQG-UHFFFAOYSA-N 416.481 4.581 0 40 HJAB CN(C(=O)c1[nH]nc(C2CC2)c1Br)C1CCC(c2ccccc2)CC1 65107885 JNYYTOMZBHPEKI-UHFFFAOYSA-N 402.336 4.848 0 40 HJAB Cc1cc(CNC(=O)c2cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3s2)on1 65578721 OCMHDWJIFCWJTD-UHFFFAOYSA-N 420.416 4.641 0 40 HJAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)N(c3ccccc3F)C3CCCC3)c2C)n1 72300865 ZBXOJDNSJQSVCF-UHFFFAOYSA-N 421.520 4.553 0 40 HJAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc(CS(=O)(=O)C(F)F)cc1 79050918 CBMIXAKHJUEWIQ-UHFFFAOYSA-N 415.461 4.667 0 40 HJAB O=C(c1cnn(-c2ccccc2)c1Br)N(Cc1cccs1)C1CC1 96006691 BRHPIEBAACMHEC-UHFFFAOYSA-N 402.317 4.501 0 40 HJAB CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 106106008 RYMZZMVNJRMUDD-HQHMUHMBSA-N 418.574 4.586 0 40 HJAB biogenic CC[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1 216261854 VEBHLFHWNSDGMT-QFIPXVFZSA-N 422.550 4.985 0 40 HJAB CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220716323 KTTLCAXIONESAC-IBGZPJMESA-N 422.978 4.955 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 222409857 ASQOPICDBDYCIV-QHCPKHFHSA-N 424.585 4.829 0 40 HJAB Cc1ccc(CN(C(=O)CCSc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222750762 BGCOYGOFOPXONK-IBGZPJMESA-N 412.599 4.809 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223052873 LHPZQWUWOQFSBH-IBGZPJMESA-N 424.585 4.522 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NC(C)(C)C)cc1 223212729 RLKWEDWAYWDYEJ-HSZRJFAPSA-N 424.585 4.658 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 223222690 NWSWPCACANBXLW-NRFANRHFSA-N 414.977 4.913 0 40 HJAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 224562497 AAFQHEKDFRHVTK-LEWJYISDSA-N 406.555 4.824 0 40 HJAB Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224665302 HEOFGIBGEOPQFF-NRFANRHFSA-N 422.569 4.548 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224757697 BBFHJFPYFDYVLA-IBGZPJMESA-N 410.533 4.543 0 40 HJAB Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1N1CCC[C@H](C)C1 226330446 SALGCWJEMRVQSL-ZDUSSCGKSA-N 402.336 4.828 0 40 HJAB COc1ccccc1-c1ccccc1CN1CCC[C@@H]1c1ccnc(CNC(C)=O)c1 257283175 OXAQCBWRGYTVOQ-RUZDIDTESA-N 415.537 4.730 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2ccc(F)cc2)cc1 408699612 VFIMDIPBTDHEKP-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB Cc1ccc(F)c(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)c1 409179027 PKKFFUTXADDWOM-UHFFFAOYSA-N 415.804 4.656 0 40 HJAB CCC(CC)C(=O)Nc1ccc(C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 524731782 KLHZOSIDWUWTNQ-HXUWFJFHSA-N 424.541 4.570 0 40 HJAB biogenic O=C(Nc1ccc(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)cc1)c1ccccc1 535950159 SBKSKSGJMXJUDV-QFIPXVFZSA-N 424.504 4.593 0 40 HJAB CC1(C)CC[C@@H]2C[C@H](NC(=O)Nc3cccc(N4CCNC4=O)c3)c3cccc1c32 538437449 BNHMMOQWEHXMEW-QRWLVFNGSA-N 404.514 4.638 0 40 HJAB C[C@H](c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(NS(C)(=O)=O)cc2)no1 547010912 LTEJQEFEJWBDTD-SNVBAGLBSA-N 412.298 4.567 0 40 HJAB OC1(COc2ccc(Cl)c(Cl)c2)CCN(Cc2ccc3[nH]ccc3c2)CC1 585270481 LCOYXZGBBOJHBZ-UHFFFAOYSA-N 405.325 4.881 0 40 HJAB CCC(CC)NC(=O)CN1CCCCCOc2ccccc2Oc2ncccc2C1 643575468 ISAJQHXTXDHCAT-UHFFFAOYSA-N 411.546 4.543 0 40 HJAB CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3Br)c(=O)oc2c1 845993 FKIGMPQVUKWOPP-UHFFFAOYSA-N 415.287 4.654 0 40 HJAB CCOC(=S)SCc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 894838 CVTJJWDJGJQTHZ-UHFFFAOYSA-N 424.469 4.959 0 40 HJAB O=c1oc2c(cc(NS(=O)(=O)c3cccc4ccccc34)c3ccccc32)s1 950308 PLHPUIGOCUOCAC-UHFFFAOYSA-N 407.472 4.962 0 40 HJAB C[C@@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 989861 NSOJCOQQFNDQKS-FYSMJZIKSA-N 405.881 4.593 0 40 HJAB Cc1ccc2cc(CN(CCc3ccccc3)C(=O)C3CCCCC3)c(=O)[nH]c2c1 1359112 CRASQXLUIHEBJV-UHFFFAOYSA-N 402.538 4.988 0 40 HJAB COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1 1443357 SAJAIGJMHDAQCV-DEOSSOPVSA-N 418.493 4.892 0 40 HJAB CC[C@H](C)COC(=O)c1c(N)n(-c2ccc(C(C)=O)cc2)c2nc3ccccc3nc12 2394168 AYFSXOADOVKIHH-AWEZNQCLSA-N 416.481 4.561 0 40 HJAB Fc1ccc(Br)cc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 2914760 PDPQORMSNISQHG-JKSUJKDBSA-N 407.674 4.979 0 40 HJAB Cc1ccccc1-n1c(S[C@H]2CCOC2=O)nnc1-c1ccc(C(C)(C)C)cc1 3341038 YSEWGSKLPKFAOT-IBGZPJMESA-N 407.539 4.948 0 40 HJAB Fc1ccccc1Cn1nnc2c(SCc3cccc4ccccc34)ncnc21 4166540 HAMHKBMATSATLY-UHFFFAOYSA-N 401.470 4.854 0 40 HJAB COc1ccc(/C=C/C(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2O)cc1 4680107 NQXXMHIWCGPWTG-JXMROGBWSA-N 418.946 4.878 0 40 HJAB CCCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(C)cc3)nc2cc1Cl 4723356 LRFUFDYBYMSQPS-UHFFFAOYSA-N 415.950 4.776 0 40 HJAB CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 4837405 MAUPZZZEAKRODF-IQJOONFLSA-N 406.861 4.787 0 40 HJAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)Nc1ccc(C)cc1 4931563 GCUZGMXOJAZAJW-UHFFFAOYSA-N 419.456 4.695 0 40 HJAB COc1ccc(C(=O)CSc2nnc(Nc3ccc(C)cc3C)s2)cc1OC 5694612 ADDBOQAUTCRORB-UHFFFAOYSA-N 415.540 4.891 0 40 HJAB CN(Cc1ccccc1)C(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 6759416 AMCVOTITKUZUKX-RTBURBONSA-N 414.431 4.816 0 40 HJAB Cc1cc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nc2c(C)cccc12 7090155 LQCBBFXZHLXSCZ-INIZCTEOSA-N 405.523 4.708 0 40 HJAB O=C(CCc1ccccc1)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 7360904 PXYAEDMXDYQAEN-UHFFFAOYSA-N 414.914 4.712 0 40 HJAB COc1ccc(C)c2sc(N(CCCn3ccnc3)C(=O)c3cccs3)nc12 7424785 LWSKNNTUNROPKQ-UHFFFAOYSA-N 412.540 4.608 0 40 HJAB Cc1ccc(C)c(CN2C(=O)N(c3ccccc3C)S(=O)(=O)c3ccccc32)c1 7615870 IZYYQMDOTOGXJA-UHFFFAOYSA-N 406.507 4.947 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2cnc3ccccc3c2=O)cc1 7786533 UHIVODALFLXXFN-UHFFFAOYSA-N 409.367 4.657 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 7848269 JMKWEAIIORMWLX-HSZRJFAPSA-N 403.457 4.744 0 40 HJAB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 7882324 BXOZHOHVEKYPKG-KRWDZBQOSA-N 404.441 4.918 0 40 HJAB O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7989543 KRLNIKKHKUVMSV-UHFFFAOYSA-N 418.566 4.891 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 8041348 FUIUPANOPFSUIH-FQEVSTJZSA-N 412.873 4.659 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc1 8116206 LXINGMDLEBGCQN-MHWRWJLKSA-N 404.285 4.694 0 40 HJAB Cc1csc(NC(=O)CSc2nnc(-c3ccccc3)n2C2CCCCC2)n1 8297976 OKDQNEYJAQGEKE-UHFFFAOYSA-N 413.572 4.946 0 40 HJAB O=C(CSc1nc2ccccc2s1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8314364 FLHQULLRPUSQRN-INIZCTEOSA-N 412.536 4.523 0 40 HJAB Cc1ccc(C(=O)C[C@H](C(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 8475331 AQHNYCHVLFDWMU-HSZRJFAPSA-N 406.503 4.602 0 40 HJAB CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)cc1OCC 8917249 RGVRQWSXPZVZRE-NRFANRHFSA-N 407.466 4.546 0 40 HJAB CC(=O)Oc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 9135369 WULCZOXTYOBRFN-UHFFFAOYSA-N 416.433 4.555 0 40 HJAB FC(F)(F)c1cccc(-c2nnn(Cc3ncc(-c4ccc(Cl)cc4)o3)n2)c1 9576949 GEJMACNRPSDJIT-UHFFFAOYSA-N 405.767 4.716 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2nc3ccccc3s2)cc1 10287476 BRSQSQFXZBQRJH-UHFFFAOYSA-N 423.567 4.575 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3=CCCCC3)cc2C)cc1 10371773 HXAWZSBVXHPBCO-UHFFFAOYSA-N 412.555 4.725 0 40 HJAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(F)c(F)c1 11225558 FPUYJFBREVWGGP-ZDUSSCGKSA-N 408.452 4.588 0 40 HJAB O=C(CSc1nncn1C1CC1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 11719964 PNNAIVCHBQFWBL-UHFFFAOYSA-N 412.129 4.957 0 40 HJAB O=C(Cc1cnc(-c2c(Cl)cccc2Cl)s1)NCc1ccc2c(c1)OCO2 12408831 SCZVBDACSPNRFW-UHFFFAOYSA-N 421.305 4.705 0 40 HJAB Cc1cc(C2=NN=C(Nc3ccccc3Cl)SC2)c(C)n1C[C@H]1CCCO1 13063234 DGEJZIADVYHFLB-OAHLLOKOSA-N 402.951 4.856 0 40 HJAB CN(CCS(=O)(=O)c1ccc(Cl)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 14814193 QBHOFUWSPWJWAN-JOCHJYFZSA-N 417.933 4.974 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CCC2)C1 19449079 SSNQDZVAJFEEFP-XMMPIXPASA-N 410.583 4.501 0 40 HJAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(C[C@@H](C)c2ccccc2)C1 19456049 FXAKAGBHVQPKDR-ZBLYBZFDSA-N 413.565 4.533 0 40 HJAB COc1ccc(F)cc1-c1ccccc1CC1(C(=O)N2CCCCC2)CCOCC1 19561788 XWHZBBAOLSGKTH-UHFFFAOYSA-N 411.517 4.853 0 40 HJAB Cc1cccc(-c2nnc(CSc3nnc(COc4ccc(Cl)cc4)o3)o2)c1 19929112 OTNCZYHWWISJQB-UHFFFAOYSA-N 414.874 4.953 0 40 HJAB CC(C)Oc1ccc(CNC(=O)CSCc2ccc(Br)cc2)cc1 20041805 KPISLKMAEXYSMH-UHFFFAOYSA-N 408.361 4.786 0 40 HJAB CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(CC)C3 20058039 HJVZVVYKCAZADH-UHFFFAOYSA-N 413.612 4.777 0 40 HJAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1cc(Br)ccc1Cl 20138466 RZSOGSZZLZFLAR-UHFFFAOYSA-N 419.058 4.715 0 40 HJAB c1ccc(-c2nc(NCCN3CCOCC3)c3cc(-c4ccccc4)sc3n2)cc1 21548872 COYSTLIEPLNUQL-UHFFFAOYSA-N 416.550 4.769 0 40 HJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1ccccc1OC 21787009 GXKOKRZWGXHGTM-OAQYLSRUSA-N 421.541 4.978 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)s1 22409487 FPRKZMJVDZBEHR-UHFFFAOYSA-N 401.538 4.837 0 40 HJAB C[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1nnc(-c2cccs2)o1 22977267 RNMVPIWYNVFSDF-GFCCVEGCSA-N 424.457 4.530 0 40 HJAB O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 23140222 ATOKPCLJNLTRTG-ZDUSSCGKSA-N 407.417 4.837 0 40 HJAB C[C@@H](NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 24830064 WKFBDPPDTIJBJV-JPYJTQIMSA-N 416.521 4.625 0 40 HJAB Cc1ccc(-n2c(SCC(=O)N3[C@H](C)CCC[C@H]3C)nnc2-c2ccncc2)cc1 26966508 PGQXZEUVVWEKMU-QZTJIDSGSA-N 421.570 4.519 0 40 HJAB C[C@H](C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)n1cccn1 27127258 WSSXOHMSRMSWMZ-GFCCVEGCSA-N 403.269 4.642 0 40 HJAB C[C@@H](Sc1nnc(-c2ccncc2)o1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 28085616 WAIPFKZRXWGDEQ-SNVBAGLBSA-N 423.479 4.543 0 40 HJAB COc1ccc(NC(=O)N2CCS[C@H]2c2ccc(OC)c(Br)c2)cc1 28232325 DBGZYEUSKCTCSS-KRWDZBQOSA-N 423.332 4.746 0 40 HJAB O=C(c1cc2ccccc2cc1O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 32721464 OSRDYFITHCPHNY-UHFFFAOYSA-N 414.427 4.522 0 40 HJAB CN(Cc1ccccc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O)C1CCCCC1 32754804 DIEPJXIZAWYRFT-QFIPXVFZSA-N 423.582 4.893 0 40 HJAB COc1ccccc1[C@H](C)N(C)C(=O)COc1ccc(Cl)cc1Br 32796588 MKFUCKWBKQYJEO-LBPRGKRZSA-N 412.711 4.710 0 40 HJAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cccc2cc(O)ccc12 35074358 RWGNEVIJLZTCMY-UHFFFAOYSA-N 421.305 4.988 0 40 HJAB CC(C)N(C)S(=O)(=O)c1ccc(NCc2ncc(-c3ccc(Cl)cc3)o2)cc1 40061235 JGOKYUSZYCJIKV-UHFFFAOYSA-N 419.934 4.636 0 40 HJAB CC(=O)Nc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)ccc1F 40132643 RKZJESMSMOTHJQ-UHFFFAOYSA-N 423.492 4.722 0 40 HJAB CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c(Cl)c1 44848789 SKZJIIJAAWJNAR-UHFFFAOYSA-N 402.661 4.841 0 40 HJAB Cn1cccc1[C@@H]1CCCN1Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 57373528 NIYASLUHMRZTFJ-SFHVURJKSA-N 424.957 4.981 0 40 HJAB Fc1ccc(C2=CCN([C@@H](c3ccc(F)cc3)c3nnnn3C3CCCC3)CC2)cc1 57613851 ZRVIQRFZEAMQCH-QHCPKHFHSA-N 421.495 4.945 0 40 HJAB CC(=O)Nc1ccc(C(=O)CN2CCC3(C=Cc4cc(Cl)c(C)cc4O3)CC2)cc1 57773703 BZCXGCDUDUHNLI-UHFFFAOYSA-N 424.928 4.730 0 40 HJAB CC(=O)Nc1sc2c(c1CN1CCN(c3ccccc3Cl)CC1)CCCC2 58167666 VGIREBHMPOCQDU-UHFFFAOYSA-N 403.979 4.561 0 40 HJAB CN(Cc1coc(-c2ccc(F)cc2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 58393587 CXNOADGZESBRKN-OALUTQOASA-N 407.272 4.878 0 40 HJAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(F)cc3)c3cc(Cl)ccc32)cc1 59272745 IKKMDRFKSIVTSJ-XMMPIXPASA-N 423.871 4.795 0 40 HJAB COc1ccc(-n2nc(-c3nc(-c4ccc(C)c(C)c4)no3)c3ccccc3c2=O)cc1 64949676 SDTDPSMVKQDZQI-UHFFFAOYSA-N 424.460 4.728 0 40 HJAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1F 67293019 WHXPHRHRHUOSNZ-IFMSOTMUSA-N 414.864 4.675 0 40 HJAB COc1cccc(CN2CC[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1 72369961 BMYHYRNBTJVJKR-INIZCTEOSA-N 403.404 4.754 0 40 HJAB Cc1nc(CN2CCC3(CC2)C[C@@H](CC(=O)NC2CCC2)c2ccccc23)cs1 96052758 RZSFVWPAWOEZSZ-GOSISDBHSA-N 409.599 4.531 0 40 HJAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 102332415 LMWJKRTVEQKHOC-MISXLKTNSA-N 409.294 4.578 0 40 HJAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)nc1 223086114 SGRADRCXJIEKHW-DHIUTWEWSA-N 417.582 4.881 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 223359735 WYEXCRVDYIXZJE-OAQYLSRUSA-N 414.977 4.913 0 40 HJAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Br)cc1F 223436377 MDDQEDBMMOIBQU-UHFFFAOYSA-N 410.717 4.764 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C(C)C 223492635 OYQUTADMCCWHBY-FGZHOGPDSA-N 405.571 4.649 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 223807245 CASZIJRILFOZTJ-GOSISDBHSA-N 412.961 4.667 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 224664634 LMGUOUDEHNEULX-QHCPKHFHSA-N 424.585 4.570 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 225290421 MBXUFQFVUMIQLC-UHFFFAOYSA-N 405.498 4.757 0 40 HJAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)C1(c2ccccc2)CCOCC1 225625882 ZCPGYIUOQQCTNU-UHFFFAOYSA-N 413.477 4.885 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(Br)c2)cc1Cl 226243766 ZUMICDFBCHEZQU-UHFFFAOYSA-N 413.724 4.552 0 40 HJAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)c1 257307774 TUBUZYZDQLDNMT-JOCHJYFZSA-N 408.473 4.709 0 40 HJAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)ccc1OC(C)C 257335604 YLAQOISWPKBFDT-OPCLUDPOSA-N 401.547 4.501 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC1(c2cccs2)CCOCC1 390827524 HGZJFWGLCLGWGD-UHFFFAOYSA-N 402.903 4.801 0 40 HJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c1 408619954 DWEOWXADZTUGSF-UHFFFAOYSA-N 404.747 4.506 0 40 HJAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)cc1 408640468 IBAOIRTZMXFSIF-KRWDZBQOSA-N 404.441 4.918 0 40 HJAB CC[C@@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703985 HUJOLTKVIXYITP-SZNDQCEHSA-N 402.947 4.643 0 40 HJAB O=C(NC[C@H](c1cccs1)n1cccn1)C1c2ccccc2Oc2ccccc21 575613635 IVQSXHAZYUZRQK-GOSISDBHSA-N 401.491 4.588 0 40 HJAB Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 1520238571 GHGOKIAKHZKFPD-STQMWFEESA-N 407.342 4.525 0 40 HJAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1csc2ccc(Cl)cc12 1655975190 HUKWXHUJMFJJLO-SFHVURJKSA-N 417.939 4.720 0 40 HJAB Nc1ncc(-c2ccccc2)c([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)n1 1848355232 DQIGFNNDPZYEQF-QFIPXVFZSA-N 411.509 4.503 0 40 HJAB NC(=O)c1ccccc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 669412 QBEOCZGQBCFVKU-UHFFFAOYSA-N 401.853 4.906 0 40 HJAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccnc4)cc3)nc2c1 977584 OJWYTDCSYCLUAT-UHFFFAOYSA-N 402.479 4.579 0 40 HJAB COc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5F)CC4)c23)cc1 1094862 GETINGCIUKMAFP-UHFFFAOYSA-N 420.513 4.833 0 40 HJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@@H](C(C)C)OC3 1253920 ZKWOMKVUDBYLKU-INIZCTEOSA-N 416.568 4.665 0 40 HJAB Fc1cccc(-c2cc3nc4c(c(NCc5ccc6c(c5)OCO6)n3n2)CCCC4)c1 1341607 RMYAEETUBAAOOX-UHFFFAOYSA-N 416.456 4.755 0 40 HJAB O=C(CCc1ccccc1)Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1 1363084 FTFSUBAUOJRRIF-UHFFFAOYSA-N 423.516 4.894 0 40 HJAB O=C(c1ccccc1)[C@H](c1ccccc1)[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21 1624262 VWMXTTTURNAMRN-JTSKRJEESA-N 412.272 4.800 0 40 HJAB CCOc1ccc([C@@H](NC(=O)c2ccccc2OC)c2ccc(OC)c(OC)c2)cc1 2291593 QFTDZKAGRXAOOW-XMMPIXPASA-N 421.493 4.631 0 40 HJAB CCOc1ccc(-c2nc(-c3ccc(-c4cccc(OC)c4)nc3OC)no2)cc1 2406672 LYSMGNWTEXCXAX-UHFFFAOYSA-N 403.438 4.882 0 40 HJAB CCCCn1c(SCC(=O)N(CC)c2cccc(C)c2)nc2ccsc2c1=O 2909272 RMNYIOIQFUDBRS-UHFFFAOYSA-N 415.584 4.712 0 40 HJAB COc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1F 3293519 FQVPBKCWXYDLSF-UHFFFAOYSA-N 406.486 4.828 0 40 HJAB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)N1CCc2ccccc2C1 3428595 XFMBJSDKXCLFPI-NSHDSACASA-N 400.853 4.819 0 40 HJAB Cc1sc2ncnc(SCc3nc4sc5c(c4c(=O)[nH]3)CCCC5)c2c1C 3534240 JXEIJKPKVGCJNX-UHFFFAOYSA-N 414.581 4.777 0 40 HJAB COc1ccc(NC(=O)CSc2nccn2-c2cccc(C(F)(F)F)c2)cc1 4248707 UOLJXOQCHLGFKL-UHFFFAOYSA-N 407.417 4.631 0 40 HJAB CS(=O)(=O)c1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 4517750 OTVRLEJYXHQAKA-UHFFFAOYSA-N 408.504 4.619 0 40 HJAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)cc1 4662655 BTRXSUBINBEVPR-VWLOTQADSA-N 419.908 4.698 0 40 HJAB CN(CCc1ccccn1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S 4883124 KUTNCLSYRWQFCJ-UHFFFAOYSA-N 419.529 4.736 0 40 HJAB CCc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CCOC)cc1 6035288 WGLISMIADJUCHF-UHFFFAOYSA-N 415.946 4.782 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1cn(Cc2ccccc2)nc1-c1cccs1 6590645 HUPTUAOUOZPYIO-UHFFFAOYSA-N 417.490 4.683 0 40 HJAB O=C1CCC[C@@H]1Sc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 6932747 XAQGYUQZGUHLPR-KRWDZBQOSA-N 405.306 4.906 0 40 HJAB CCn1c(SCC(=O)c2cc(C)n(CCc3cccs3)c2C)nnc1C1CC1 7618619 CLHFUGSPZYPNJI-UHFFFAOYSA-N 414.600 4.873 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CSCc2ccccc2Cl)c(C)c1 8055070 NSLROGOWMQVDJG-UHFFFAOYSA-N 404.963 4.596 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@H](C(=O)NC3CC3)c3ccccc3)o2)cc1 8394794 UKEBQRZBGDESMK-FQEVSTJZSA-N 422.554 4.695 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(O)cc1)N(c1nc(C)c(C)s1)C3=O 8590316 GYORGXFHFVLYJT-IBGZPJMESA-N 418.474 4.630 0 40 HJAB COc1ccc(-c2cn[nH]c2-c2ccc(OCCN3CCC(C)CC3)cc2O)cc1 8738445 BUTUCYMGZUMXKK-UHFFFAOYSA-N 407.514 4.569 0 40 HJAB COc1ccc(CNC(=O)[C@@H](C)Sc2nccn2-c2cccc(Cl)c2C)cc1 8746452 JBBDISGVPBMLFI-OAHLLOKOSA-N 415.946 4.640 0 40 HJAB CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 8961226 GJXIUKIOVIHIQG-UHFFFAOYSA-N 424.478 4.553 0 40 HJAB Cc1csc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccccc2)n1 9265129 RTHKTNPAOQDTOK-HNNXBMFYSA-N 421.551 4.819 0 40 HJAB C[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NCc1ccc2c(c1)OCO2 9583440 SGWNMXRVUORSDY-SNVBAGLBSA-N 417.836 4.885 0 40 HJAB O=C(OCc1nc(-c2cccs2)no1)c1ccccc1OCCOc1ccccc1 9796254 ZSSOYNICUNLTEI-UHFFFAOYSA-N 422.462 4.613 0 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0 40 HJAB CCCCCC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 12985592 BZDDHTFPWABTTI-UHFFFAOYSA-N 422.934 4.515 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)c1ccccc1F 13266863 ZRGXEDZUILPQMC-UHFFFAOYSA-N 421.497 4.891 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 14012185 YJGSJQDQAGCDLA-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB O=C(CNc1ccccc1I)Nc1cccc(Cl)c1Cl 15289683 CTWHFTVTORLZSR-UHFFFAOYSA-N 421.065 4.649 0 40 HJAB Cc1ccc([C@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccccc2F)cc1 15412622 UTYKXJOSPMPLCN-DEOSSOPVSA-N 402.469 4.872 0 40 HJAB CCOc1ccc(NC(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)cc1 15881506 SJYOVPIHLADINL-UHFFFAOYSA-N 404.470 4.852 0 40 HJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1 17090460 GAOPFNJIVKVPQA-KRWDZBQOSA-N 415.965 4.623 0 40 HJAB Fc1cccc(Nc2noc3c2CN(Cc2ccccc2OC[C@@H]2CCCO2)CC3)c1 19349332 XAVTZGHQQZEGKN-FQEVSTJZSA-N 423.488 4.673 0 40 HJAB CCOc1ccccc1-c1ccccc1NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 19659887 YVIZKXHEJKXKBI-SFHVURJKSA-N 406.526 4.872 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3cccc(C)c3)nnc2c1-c1ccc(Cl)cc1 20672669 JQSQXZIJJRIVEO-UHFFFAOYSA-N 405.889 4.876 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3cc(C)cc(C)c3)cs2)cc1 28288510 GWLCBVSDSMARNI-KRWDZBQOSA-N 410.539 4.562 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C)c3nc(C(C)C)no3)n2C)cc1 31750101 BVEDOGPGPFTSNQ-AWEZNQCLSA-N 400.552 4.688 0 40 HJAB O=C(c1ccccc1OC[C@@H]1CCCO1)N1CCC(c2c[nH]c3ccccc23)CC1 32899605 UHQVVYJXNUAHOL-IBGZPJMESA-N 404.510 4.746 0 40 HJAB COc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccccc3C)no2)cc1 33325019 AYIUIQVIMZAOIP-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB CCSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 44880209 HDUCLHUKDNYVGO-UHFFFAOYSA-N 412.536 4.852 0 40 HJAB CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)CC(C)C)CC1 72345187 ZAPZZGYSYPCURA-UHFFFAOYSA-N 406.570 4.687 0 40 HJAB Cc1noc(C)c1CC(=O)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72350224 HQUQNJZBWPDFNX-SFHVURJKSA-N 409.917 4.956 0 40 HJAB CCn1ncc(CN2CCC[C@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)c1C 72372457 PYVUFQDQGZLVTM-VWLOTQADSA-N 404.558 4.851 0 40 HJAB C[C@@H](c1nc2ccccc2o1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 95465886 NBHFTRJDQLSCMC-ZDUSSCGKSA-N 404.297 4.654 0 40 HJAB COc1ccc(NC(=O)CN[C@H](C)c2nc3ccccc3n2C(C)C)cc1Cl 95941372 OXXBEBBLTYZMHE-CQSZACIVSA-N 400.910 4.569 0 40 HJAB O=C1C[C@H](c2ccccc2OCc2cccc(Cl)c2)c2snc(C(=O)O)c2N1 96335695 TUMLWKURRXGAHS-CQSZACIVSA-N 414.870 4.548 0 40 HJAB CCNC(=O)c1ccc(NC(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)cc1 97164648 COXHPJIBVKBOMJ-XMMPIXPASA-N 413.521 4.810 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 222787484 JWGBYGGBYDOJTK-KRWDZBQOSA-N 400.950 4.605 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 223176725 URTPFAKVMRHOPS-JOCHJYFZSA-N 424.585 4.911 0 40 HJAB COc1cc(C)c([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1C(C)C 223384032 BMWIKZBIKMRFLD-AWEZNQCLSA-N 411.951 4.829 0 40 HJAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCC 223552603 LOTUWZSRZQMOMA-XMMPIXPASA-N 410.558 4.872 0 40 HJAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223557154 MRSDGPVEBRWLEE-QHCPKHFHSA-N 410.558 4.728 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 224197937 DUXDOUBVLBYVFP-XMMPIXPASA-N 406.570 4.712 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F 224283097 JFUHSBUTMZPPAG-HSZRJFAPSA-N 410.533 4.543 0 40 HJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1OCC 225062448 UJENLNOFKMIAGL-UHFFFAOYSA-N 410.514 4.753 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 225080904 HBOUZLWHAVHVHF-SFTDATJTSA-N 424.585 4.829 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl 225691175 GHEMGFNKXYMRER-KRWDZBQOSA-N 418.940 4.601 0 40 HJAB Cc1ccc(C)c([C@@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)c1 225870686 ZMJZYZKQLCBIGH-IQJJTXKVSA-N 402.494 4.853 0 40 HJAB CC(=O)N[C@@]1(C)C[C@H](c2cc(Cl)c3c(c2)OCCCO3)O[C@@H]2C[C@H](C)CC[C@H]21 257273878 NIOSVJXGSCZLPW-SYGKJLKJSA-N 407.938 4.662 0 40 HJAB Cc1cc(C(=O)NC[C@H]2CC[C@H](c3nc(C(C)C)ncc3-c3cc(C)no3)CC2)on1 257338989 YZSUMIXVOWEWSU-QAQDUYKDSA-N 423.517 4.564 0 40 HJAB CCOC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 408550587 DPJLSNHUZGBZHQ-UHFFFAOYSA-N 424.522 4.646 0 40 HJAB CCCCOc1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc1OC 408811424 NRRUDAOEKBIFAE-UHFFFAOYSA-N 401.483 4.776 0 40 HJAB C[C@@H](Nc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccc(Oc2cccnc2)cc1 673488909 VFJNUUWPFOBLEY-MRXNPFEDSA-N 424.464 4.882 0 40 HJAB CCn1c(CNc2ccccc2Cl)nnc1S[C@H](C)C(=O)Nc1ccccc1 900365 RGDIGRUFHAKBLA-CQSZACIVSA-N 415.950 4.683 0 40 HJAB COC(=O)c1c(NC(=O)COc2c(C)ccc(C)c2C)sc2c1CC[C@H](C)C2 951211 FYMGGKQYNGVDKN-LBPRGKRZSA-N 401.528 4.602 0 40 HJAB Cc1nc(SCC(=O)NCc2cccs2)c2c3c(sc2n1)C[C@H](C)CC3 1326301 SHCJAIAVZPXSDW-LLVKDONJSA-N 403.598 4.595 0 40 HJAB CCOC(=O)c1sc2ncn3nc([C@H]4C[C@@H]4c4ccc(Cl)cc4)nc3c2c1C 2791521 RXVSFEPPDMBXRM-KGLIPLIRSA-N 412.902 4.749 0 40 HJAB COc1ccc(-c2nc(NC(=O)CSc3nc4ccccc4o3)sc2C)cc1 3218113 GMOLBELKYLJOSF-UHFFFAOYSA-N 411.508 4.999 0 40 HJAB COc1ccc(/C=C/C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1OC 3228080 WCQJBSSHCKQMAJ-SXKZTFQGSA-N 402.446 4.884 0 40 HJAB COc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2cccc(C)c2C)cc1OC 4059490 BXQKJBRRINDTRE-QHCPKHFHSA-N 421.566 4.924 0 40 HJAB Cc1cccc2c(=O)c(-c3ccc4c(c3)OCO4)c(NC(=O)c3cccs3)oc12 5451290 WATVYZVLAWBKAT-UHFFFAOYSA-N 405.431 4.811 0 40 HJAB Cc1ccc(CN2C(=O)[C@@]3(SCC(=O)N3c3ccc(F)cc3)c3ccccc32)cc1 6997099 KEPVRCMLLDRDBQ-DEOSSOPVSA-N 418.493 4.614 0 40 HJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2Cl)cc1 8090667 OZFAFGLPJRNWDU-UHFFFAOYSA-N 407.326 4.922 0 40 HJAB COc1ccc([C@H](CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)NC(C)=O)cc1 8132428 NULVYMFKNGSTJT-CJAUYULYSA-N 416.521 4.807 0 40 HJAB CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1csc(-c2ccccc2)n1 8152056 JPODWNCBNJWOTJ-UHFFFAOYSA-N 405.445 4.899 0 40 HJAB S=C(NC/C(Br)=C\Br)Nc1cccc2ccccc12 8652000 AZIZQHJEOVVYBO-DHZHZOJOSA-N 400.139 4.757 0 40 HJAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)[C@H]1COc2ccccc2O1 9391420 ZUQMWACXWFZLOG-GFCCVEGCSA-N 413.307 4.957 0 40 HJAB Cc1c(C)n(-c2ccc(Br)cc2)c2ncn3nc(-c4ccncc4)nc3c12 9419909 RZVLBDVZIHWECN-UHFFFAOYSA-N 419.286 4.510 0 40 HJAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1NC(=O)c1ccco1 9549696 RLMNMUXPDNZFCC-KRWDZBQOSA-N 414.465 4.517 0 40 HJAB CC(=O)c1ccccc1OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 9578327 YVVIEBRZSKIZQG-QGZVFWFLSA-N 410.520 4.769 0 40 HJAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 9669861 OUCGKGZYRDRREY-LLVKDONJSA-N 423.325 4.702 0 40 HJAB Cc1csc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)n1 9699363 UIIBUYKGCWVDMJ-UHFFFAOYSA-N 421.979 4.750 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(F)c(F)c3)c2C)cc1 10315054 LWSIZHADUGFQBQ-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB COc1ccccc1NC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1 11865880 KYHZRIZRHPYKHC-UHFFFAOYSA-N 408.401 4.899 0 40 HJAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)c1 12178768 GAYYKGLMHWBCKO-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)N1CCc2ccccc21 12312238 FVCGYNYMQSFNBG-UHFFFAOYSA-N 413.546 4.960 0 40 HJAB CC(C)(C)C(=O)N[C@@H](c1nccs1)C1CCN(Cc2ccc(F)c(F)c2)CC1 12365689 DLCHPURLMAZJDL-GOSISDBHSA-N 407.530 4.537 0 40 HJAB O=C(CNc1ccccc1N1CCCC1=O)Nc1ccc(Cl)cc1C(F)(F)F 12514075 BLFBXPFZBLYFBM-UHFFFAOYSA-N 411.811 4.536 0 40 HJAB CSc1ccc(CN(C)C(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 12822508 WVYVYPAKOWBXIX-UHFFFAOYSA-N 400.525 4.896 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CCSCc1cc(Cl)c2c(c1)OCO2 12847184 OYHUBXZHMCIMDZ-UHFFFAOYSA-N 414.310 4.993 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(Br)cc2Cl)cc1 12887490 HFFDTPVTQQSTHP-KRWDZBQOSA-N 424.722 4.854 0 40 HJAB COc1cc(C)c(NC(=O)c2cccnc2SCc2c(C)noc2C)cc1OC 13007785 FTCCPFSMFCEVRA-UHFFFAOYSA-N 413.499 4.557 0 40 HJAB Cc1cc(C)cc(NC(=O)Cn2c(C)nc3scc(-c4ccccc4)c3c2=O)c1 13016593 GMIOJEYQGUXXNO-UHFFFAOYSA-N 403.507 4.689 0 40 HJAB COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccoc2C)cc1 13150750 UPOCQALDTRDEPC-UHFFFAOYSA-N 420.494 4.575 0 40 HJAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(C)cc1C 14117487 AADFPAJXSNUEFZ-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2cccc(Cl)c2C)cc1 15390893 RJNXGONRCOIBFL-QGZVFWFLSA-N 420.962 4.529 0 40 HJAB O=C(NCCc1cn(C(=O)Nc2ccc(Cl)cc2)cn1)Nc1ccc(Cl)cc1 16428398 MVYRLZXANGFYCS-UHFFFAOYSA-N 418.284 4.634 0 40 HJAB COc1ccc(-c2cn3c(CCC(=O)Nc4ccc(F)c(F)c4)csc3n2)cc1 16848821 PCIYYJFKEZFOSW-UHFFFAOYSA-N 413.449 4.921 0 40 HJAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc(F)cc2)CC1 19236860 RLPNGMULMKPSHG-VWLOTQADSA-N 417.528 4.912 0 40 HJAB CCOc1cc2c(cc1CN[C@@H](Cc1cccs1)c1nc(C)cs1)OCO2 19532513 HMWIOOVADBAQQY-INIZCTEOSA-N 402.541 4.714 0 40 HJAB CN(C)c1ncc(-c2cccc(Cl)c2)c(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)n1 19695101 DSRZABTVKSVFPK-SFHVURJKSA-N 424.976 4.925 0 40 HJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccccc1C 21580044 IETJKJJEZLYIBC-UHFFFAOYSA-N 416.506 4.674 0 40 HJAB CCOc1ccc(CCNC(=O)c2cccnc2Nc2ccccc2F)cc1OCC 22072036 UFADPJGYXUAMOX-UHFFFAOYSA-N 423.488 4.734 0 40 HJAB CC1CCN(C(=O)C[C@@H](c2ccccc2)c2cc(Br)ccc2O)CC1 27578477 ISNJKEHGXWSWAP-SFHVURJKSA-N 402.332 4.935 0 40 HJAB Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)c(C)c2cc1Cl 28287959 AEJZUPYHSJMBED-KRWDZBQOSA-N 418.946 4.568 0 40 HJAB Nc1ccc(S(=O)(=O)Nc2cc(/C=C/c3ccc(Cl)cc3Cl)ccn2)cc1 32604024 KBJMOVJFZDAPSG-OWOJBTEDSA-N 420.321 4.942 0 40 HJAB CCOc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)no2)cc1 32623961 PEBWCZMZXGQAJB-CYBMUJFWSA-N 401.850 4.503 0 40 HJAB C[C@H](NC(=O)c1cc2ccccc2oc1=O)c1cccc(NC(=O)c2ccccc2)c1 32925173 KAFNBVOOSSNGAW-INIZCTEOSA-N 412.445 4.536 0 40 HJAB CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nc3ccccc3s2)[C@H]1c1ccccc1 36354902 MEXCUENPHMSICU-NHCUHLMSSA-N 413.502 4.846 0 40 HJAB O=C(CSCc1ccc(F)cc1)NCCSCc1c(F)cccc1Cl 38755359 MRHIWYUVHGKGFF-UHFFFAOYSA-N 401.931 4.901 0 40 HJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 40056877 JQNGDCQHNQQKFK-HYSAVQALSA-N 416.521 4.904 0 40 HJAB COc1ccc([C@@H](CC(C)C)NC(=O)CSc2ccc(OC)c(OC)c2)cc1 44884492 OLZITXCSJWGSDN-LJQANCHMSA-N 403.544 4.708 0 40 HJAB Cc1ccc(NC(=O)N[C@@H](C(=O)N(C)C)c2ccccc2)c(OCc2ccccc2)c1 58343229 JTEICDCGRFKCDZ-HSZRJFAPSA-N 417.509 4.525 0 40 HJAB Cc1ccc2nc(CN(C3CC3)[C@H](C)c3cccc(C(F)(F)F)c3)cc(=O)n2c1 59578031 NRSPPOUBAVUGLZ-OAHLLOKOSA-N 401.432 4.747 0 40 HJAB Cc1c(CCC(=O)N2CCCC2)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 62001565 RRTGDWSPUPAOFL-UHFFFAOYSA-N 409.526 4.684 0 40 HJAB biogenic C[C@H](CCc1ccccc1)Nc1c(C(=O)N2CCOCC2)cnc2ccc(Cl)cc12 67288430 SIXWIZLASXFHQI-QGZVFWFLSA-N 423.944 4.794 0 40 HJAB Cc1ccc(NC(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)cc1C 71328224 FQZBAUHZTSBLGT-UHFFFAOYSA-N 402.498 4.741 0 40 HJAB CCN(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72214658 GECOLKSEAQGORA-UHFFFAOYSA-N 421.538 4.721 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@H]2c2ccc(Nc3cccc(C)n3)cn2)cc1 72353060 UGJQWGTZUUXZLH-QHCPKHFHSA-N 416.525 4.834 0 40 HJAB O[C@@H](CNCCc1c[nH]c2ccccc12)COc1ccc(Oc2ccccc2)cc1 89845829 PMHWDTKTQOBDRO-FQEVSTJZSA-N 402.494 4.532 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2c(F)cccc2Cl)S1 96117882 OOESTUNTUQANCJ-MEDUHNTESA-N 409.914 4.985 0 40 HJAB COc1cccc(-c2noc3nc(C)cc(C(=O)N[C@@H](C)[C@H]4C[C@H]5CC[C@H]4C5)c23)c1 104070540 VHUMOFQGOJFRHK-IUVQAAGXSA-N 405.498 4.761 0 40 HJAB CN(c1ccc(C(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 113937177 KFUWNDBTCGKAKW-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB C[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 115127508 IXUNXGMHGXDDAF-LBPRGKRZSA-N 412.338 4.875 0 40 HJAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCS[C@H](c2cccs2)CC1 219552161 YDLANPAYBPIPNU-AWEZNQCLSA-N 408.397 4.924 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 222862277 VMVSGPHDNPGYBH-HNNXBMFYSA-N 421.368 4.868 0 40 HJAB CCc1ccc(O[C@H](CC)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 222889927 OCXHQOFMICVSBA-OAQYLSRUSA-N 420.475 4.774 0 40 HJAB CCOc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c1 223560966 GHRRBYMSBGNZDN-QNGOZBTKSA-N 406.507 4.865 0 40 HJAB Cc1cccc(CN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)c1 223807262 JCAKVSRWFOCTJK-SFHVURJKSA-N 412.961 4.667 0 40 HJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 223815086 JKRRTHXHFQMBMB-SFHVURJKSA-N 412.961 4.749 0 40 HJAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 223904151 MNRSDNYCAVSFDB-FCHUYYIVSA-N 405.571 4.707 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 224044909 MNUVILWIQRKSCC-SFHVURJKSA-N 414.977 4.831 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CSc1ccccc1 224604166 BSLDLHIDCDNIET-HSZRJFAPSA-N 424.610 4.687 0 40 HJAB COCc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c1 225189494 TWYVQABMPBVJGP-STZFKDTASA-N 406.507 4.613 0 40 HJAB Cc1ccccc1-c1noc(CN(C)C(=O)CCc2ccc(Cl)cc2Cl)n1 225381357 BBDNBENJSPHNKM-UHFFFAOYSA-N 404.297 4.943 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 225527889 YAAMOQJMLIPUJH-UGKGYDQZSA-N 412.599 4.809 0 40 HJAB Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 260712525 IFESUVYSLLMCAW-LJQANCHMSA-N 423.630 4.962 0 40 HJAB CCOc1ccc2nc(NC(=O)c3c(F)c(F)c(OC)c(F)c3F)sc2c1 408621249 KXXUOKCUTKUCJA-UHFFFAOYSA-N 400.353 4.512 0 40 HJAB COc1cc(OC)c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 409187902 CRNINIOJQBOTQM-LICLKQGHSA-N 405.859 4.607 0 40 HJAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)s1 409220148 YQSLJLHVRZDWQL-VGOFMYFVSA-N 410.879 4.524 0 40 HJAB Cc1ccc2cc(C(=O)N3CCC[C@@H](NC(=O)c4ccc5ccccc5c4)C3)[nH]c2c1 531038933 SIFOVDQZIYXFQM-JOCHJYFZSA-N 411.505 4.664 0 40 HJAB FC(F)(F)c1nc(-c2cccs2)ncc1-c1nnnn1-c1ccc(Cl)cc1 721445 AFPQJEYVQPKFNF-UHFFFAOYSA-N 408.796 4.520 0 40 HJAB CC(=O)Oc1cc2c(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)oc2c2ccccc12 937979 JYDGQVKIFOMJMJ-UHFFFAOYSA-N 422.525 4.859 0 40 HJAB O=C(CSc1nc(COc2ccccc2)nc2ccccc12)Nc1ccccc1 1356068 MBTSJCQDAOSPOW-UHFFFAOYSA-N 401.491 4.940 0 40 HJAB O=C(c1cccc(Cl)c1)c1nn(-c2ccccc2Cl)c(=O)cc1C(F)(F)F 1389657 VNLQHBJXWDXHFR-UHFFFAOYSA-N 413.182 4.789 0 40 HJAB O=C(COC(=O)/C=C/c1ccc(OC(F)F)cc1)Nc1cc(Cl)cc(Cl)c1 3298584 DFRKAVDVHSXKTI-ZZXKWVIFSA-N 416.207 4.790 0 40 HJAB O=C(/C=C/c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)Nc1ccc(O)cc1 3311129 SMGJFFYOGJKQRB-ZAFLOJKISA-N 405.294 4.916 0 40 HJAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)OCO2 3313647 KJODCLKVCNLBKV-MRXNPFEDSA-N 423.296 4.505 0 40 HJAB COc1cc(-c2nnc(SCCOc3ccccc3Cl)o2)cc(OC)c1OC 3318909 ZHRLWZGABPMYTF-UHFFFAOYSA-N 422.890 4.587 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 3483946 GUBFGXFVMDSYFC-QZTJIDSGSA-N 406.555 4.816 0 40 HJAB CCc1ccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nnc2-c2ccncc2)cc1 3587971 SRYRXLYVYSJZTM-UHFFFAOYSA-N 423.586 4.629 0 40 HJAB COc1ccc(Cl)cc1C(=O)CSc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C 4169402 YOBUQUGJWCTUQX-XCLFUZPHSA-N 403.935 4.684 0 40 HJAB Nc1c(C(=O)Nc2ccccc2Br)sc2nc3c(cc12)CCCC3 4211003 GFJFCQOHYDEXFZ-UHFFFAOYSA-N 402.317 4.772 0 40 HJAB Cc1ccn(-c2ccc(NS(=O)(=O)c3ccc4oc5ccccc5c4c3)cc2)n1 4727355 OWTDGEPAIMQAIR-UHFFFAOYSA-N 403.463 4.881 0 40 HJAB C[C@@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 5119284 ZGKOTWYZWLVFKE-LJQANCHMSA-N 401.510 4.629 0 40 HJAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 5501595 FOJLCDMTCVVYAY-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB COc1ccc(CSc2nnc(SCC(=O)Nc3ccc(C)cc3)s2)cc1 5871810 LWRFUPRNFPBZIO-UHFFFAOYSA-N 417.581 4.878 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)cc1 6476860 NTHQRCFOXQOOIS-UHFFFAOYSA-N 412.902 4.921 0 40 HJAB Cc1cc2sc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)nc2cc1Cl 6826393 BWMYGDMZOUQIFS-UHFFFAOYSA-N 410.351 4.967 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@H](Sc1nncn1-c1ccccc1)c1ccccc1 6831649 ULJXNLBYYOIXIK-HXUWFJFHSA-N 404.470 4.879 0 40 HJAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)c(C)cc1Br 7928353 ULJRNVXMDZRCDE-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1 8166611 WEJOVZOXRKJSPM-MHWRWJLKSA-N 404.285 4.694 0 40 HJAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2C)ccc1C 9282838 IMIJFVZDZDLMMA-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB COc1ccc(-c2nnc3sc(COc4cc(C)ccc4C(C)C)nn23)cc1OC 9615180 NDSILRLKIZYHOE-UHFFFAOYSA-N 424.526 4.881 0 40 HJAB O=C(COc1ccc(Br)cc1)Nc1ccc(Br)cc1Cl 9653464 RFNYLKRZSOEYSI-UHFFFAOYSA-N 419.500 4.883 0 40 HJAB CSc1cccc(NC(=O)COC(=O)c2cc(Br)ccc2Cl)c1 9963913 JIZNBOXVKZAUCC-UHFFFAOYSA-N 414.708 4.620 0 40 HJAB O=C(NC1CCCCC1)c1cccc(NC(=O)c2ccccc2Br)c1 10279127 KBQGKFZUIJRHSR-UHFFFAOYSA-N 401.304 4.764 0 40 HJAB CC(=O)N[C@H](CC(=O)OCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1 12175490 WJHFBTLAJAHOJD-MRXNPFEDSA-N 420.943 4.836 0 40 HJAB COCc1ccc(C(=O)N2CCC(c3cc4cc(OC)c(C)cc4cn3)CC2)cc1 12188104 WZRRIQDFKCSWES-UHFFFAOYSA-N 404.510 4.718 0 40 HJAB O=C(CSc1nnnn1C1CCCC1)N1c2ccccc2Sc2ccccc21 12788852 CRAPDFHTXNZBSQ-UHFFFAOYSA-N 409.540 4.710 0 40 HJAB COC(=O)C[C@H](NC(=O)c1csc(-c2cccs2)n1)c1ccccc1Cl 12859395 PQQPWHCYAQSBDE-ZDUSSCGKSA-N 406.916 4.559 0 40 HJAB CCc1nn2c3c(nnc2c1-c1ccccc1OC)C(=O)C[C@H](/C=C/c1ccccc1)C3 14607787 QAHXVTNRYQGJCP-KAUXGEHWSA-N 424.504 4.821 0 40 HJAB CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1 16750161 YILBVTGJKZBEJZ-JOCHJYFZSA-N 405.494 4.716 0 40 HJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4Cl)cc3n2)cc1 17092494 ASGMBRLXAAVAIM-UHFFFAOYSA-N 420.900 4.962 0 40 HJAB CCCCNc1nc(Nc2cc(OC)ccc2OC)c2cnn(-c3ccccc3)c2n1 17270456 YLLJCUYMWTZOKK-UHFFFAOYSA-N 418.501 4.788 0 40 HJAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N[C@@H](C)c1cc4cc(Cl)ccc4o1)(C3)C2 19458494 LNYIWTOQGXXTKZ-DIJNYWGZSA-N 414.933 4.739 0 40 HJAB COC(=O)c1cccc(NC(=O)/C=C/c2ccc(OCc3csc(C)n3)cc2)c1C 23054423 WWRHHZPIMWIIPD-FMIVXFBMSA-N 422.506 4.777 0 40 HJAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1(C)C 24602161 VFPGQEPIQSGMFQ-GDBMZVCRSA-N 415.887 4.641 0 40 HJAB Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4)C3=O)co2)c(C)c1 24758595 DQHBPQCPKDRBRK-QFIPXVFZSA-N 409.873 4.579 0 40 HJAB Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@H]3c3nc4ccccc4s3)o2)cc1 24775923 ZBXAWNHFVVDFTQ-SFHVURJKSA-N 418.522 4.951 0 40 HJAB N[C@@H](Sc1nc(=O)n(Cc2ccccc2)c2c1CCC2)c1cccc2ccccc12 27994064 CFVKCJMCLLFIHA-QHCPKHFHSA-N 413.546 4.683 0 40 HJAB COc1ccccc1NC(=O)c1sc(=S)n2c1nc(O)c1cc(Cl)ccc12 33251333 WDFOTGGULADMHY-UHFFFAOYSA-N 417.899 4.898 0 40 HJAB Cc1ncc(NC(=O)[C@@H](C)Oc2ccccc2)n1-c1nc(-c2ccccc2)cs1 35682934 KCGYLQLOMUXCFW-OAHLLOKOSA-N 404.495 4.710 0 40 HJAB C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)c1ccc2c(c1)NC(=O)CO2 35870853 XNSMBDXHRXPUSQ-VIFPVBQESA-N 404.900 4.644 0 40 HJAB CC(=O)N[C@H](CC(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F)c1ccc(C)cc1 40033796 KDDJFYTUKGKZGQ-KBXCAEBGSA-N 415.440 4.612 0 40 HJAB O=C(Cc1csc(Cc2ccccn2)n1)NCc1ccc(-c2ccc(Cl)cc2)o1 40130932 VLEAAVJJZHRRSQ-UHFFFAOYSA-N 423.925 4.901 0 40 HJAB Cc1nc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)sc1-c1nccn1C 58014666 SGKLGXWGOWBHJS-UHFFFAOYSA-N 422.485 4.822 0 40 HJAB Cc1cc(CNC(=O)c2oc3ccccc3c2CSc2ncccn2)ccc1F 58065304 YPJBLJFDNPZGOH-UHFFFAOYSA-N 407.470 4.893 0 40 HJAB COc1ccc(CC(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)cc1 72349566 LLYYIXNJGDXICA-UHFFFAOYSA-N 400.522 4.630 0 40 HJAB CCOc1ccc(C(=O)NCc2ccc(OCc3ccccc3F)c(OC)c2)cc1 72427749 QDXGJQWYRSYOKY-UHFFFAOYSA-N 409.457 4.742 0 40 HJAB CCCc1nc(C)c(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)s1 79094198 ZNPWJCVPBUAEDE-GOSISDBHSA-N 400.569 4.842 0 40 HJAB Cc1nc2c(cc(OCC(=O)N3CCC[C@H](C(F)(F)F)C3)c3ccsc32)s1 84287018 XAXZHUGYVVHWRK-NSHDSACASA-N 414.474 4.999 0 40 HJAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CNC(=O)Cc1cccc2ccccc12 89558870 UWZMZQIPONNZOZ-KRWDZBQOSA-N 423.582 4.606 0 40 HJAB Cc1ccc(-c2nnc([C@@H](C)N3CCN(Cc4ccc(Cl)s4)CC3)o2)cc1 96124636 XNQAZCDMWGLRTK-OAHLLOKOSA-N 402.951 4.639 0 40 HJAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 109144082 GCTUWNWNOCVPLE-IINYFYTJSA-N 400.331 4.830 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1C1CCCCC1 223082501 CASZLBYITJZOKT-FCHUYYIVSA-N 403.555 4.573 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 223224453 IBFWOEKNAVCRKB-LJQANCHMSA-N 414.977 4.833 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224776028 WWSJHJQREHCMLC-INIZCTEOSA-N 421.368 4.788 0 40 HJAB Cc1cc(OCC(=O)NCc2ccccc2CN2CCCCC2)cc(C)c1Cl 224831124 UDNBWQLMPAHZRX-UHFFFAOYSA-N 400.950 4.638 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 225009686 PMOCMZUDUTXSEP-WOJBJXKFSA-N 410.558 4.521 0 40 HJAB Cc1ccccc1N(CCCC(=O)Nc1ccccc1-c1ccccc1)S(C)(=O)=O 225047322 HDTFDXWHZKWTLV-UHFFFAOYSA-N 422.550 4.847 0 40 HJAB Cc1cc(NC(=S)NCCCSCc2ccccc2)ccc1N1CCCC1=O 225598963 WJTYRCYWYUPEOG-UHFFFAOYSA-N 413.612 4.732 0 40 HJAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(Br)cc1F 225740644 SSBNBCMZLYZFPT-ZDUSSCGKSA-N 422.367 4.716 0 40 HJAB COCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C 225869029 SQQNTDJGDMIOAW-UHFFFAOYSA-N 402.922 4.909 0 40 HJAB C[C@]12C[C@@H]3N[C@H]1CCC[C@H]2N(C(=O)c1nccc2ccccc12)[C@@H]3Cc1ccccc1 257269749 MRFIJBPNTAASRQ-RXQYSTNPSA-N 411.549 4.591 0 40 HJAB Cc1ccc(C2=N/C(=C/c3ccc(OC(=O)c4c(F)cccc4F)cc3)C(=O)O2)cc1 409008930 AJWPJANYUNGVLH-DEDYPNTBSA-N 419.383 4.837 0 40 HJAB O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1ccc(Cl)c(Cl)c1 409151927 CRSSVDIYVDXDCC-UHFFFAOYSA-N 410.282 4.730 0 40 HJAB Cn1c(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@H]32)cc2ccc(Cl)cc21 604404081 BWCXJFJKOLWLLF-HSJYVMOXSA-N 423.988 4.867 0 40 HJAB CC(=O)N1CC2=Nc3cccc4[nH]cc(c34)[C@@H](c3ccc(Br)cc3)C2=C1O 1547205823 MQNBYBUUSNCLFP-GOSISDBHSA-N 422.282 4.780 0 40 HJAB COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2cccc(C)c2C)c1C 871465 VGFIDIGCPFQCEQ-UHFFFAOYSA-N 412.467 4.558 0 40 HJAB Cc1cc2cc(CN(Cc3ccco3)C(=S)NCC(C)C)c(=O)[nH]c2cc1Cl 931566 XRKKUDYWRSJYRQ-UHFFFAOYSA-N 417.962 4.616 0 40 HJAB COc1cccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)n2)c1 1362486 BNABNQIURISULD-OAHLLOKOSA-N 412.877 4.810 0 40 HJAB CCOc1ccccc1NC(=O)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 2725336 VAGFWFRLZDFQFW-QGZVFWFLSA-N 402.756 4.548 0 40 HJAB Cc1cccc(C)c1NC(=O)CCCSc1nnc(-c2ccc3c(c2)OCO3)o1 2725847 VBFBCINMCFZGJD-UHFFFAOYSA-N 411.483 4.593 0 40 HJAB CCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N(CC)CC)c2ccccc12 3009715 VAKWHJCUHFVZIZ-NKFKGCMQSA-N 416.521 4.878 0 40 HJAB CCOC(=O)c1c(NC(=S)Nc2ccc(NC(C)=O)cc2)sc2c1CCCC2 3251678 HKYLYUZRUTWLRX-UHFFFAOYSA-N 417.556 4.571 0 40 HJAB Cc1c([C@@H](C)[C@H]2NC[C@@H](C)C[C@H]2O)ccc2c1C[C@H]1[C@H]2CC=C2C[C@@H](O)CC[C@@]21C 4429990 MALFODICFSIXPO-WZCNQPMBSA-N 409.614 4.595 0 40 HJAB in-vitro CC[C@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1nc2ccccc2s1 5016535 LHRXUGYUXQQIEK-INIZCTEOSA-N 407.524 4.658 0 40 HJAB CCCNC(=O)c1c(N)n(-c2ccc([C@@H](C)CC)cc2)c2nc3ccccc3nc12 5021716 CXXATDQOOFXOLF-HNNXBMFYSA-N 401.514 4.809 0 40 HJAB COc1cc(C=O)cc(Br)c1OCc1cccc(Br)c1 5670116 ZQSLXPGPOOIGDQ-UHFFFAOYSA-N 400.066 4.612 0 40 HJAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N[C@H]1CCCc2ccccc21 6028910 PSJLEVCFYZBIAF-XOBRGWDASA-N 418.522 4.892 0 40 HJAB Cc1ccc(C)c2sc(N(CCCn3ccnc3)C(=O)c3ccc(F)cc3)nc12 7424762 PWRUBOODYGZGJZ-UHFFFAOYSA-N 408.502 4.986 0 40 HJAB C#CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1 7603240 KFQJOSDHPLOQPA-ATVHPVEESA-N 412.854 4.620 0 40 HJAB O=C(O)c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 7603983 GNQFCCFUKNGSPH-UHFFFAOYSA-N 404.029 4.628 0 40 HJAB COc1cccc(CN(C)C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)c1 8188081 MJNUYNBAJBHWDK-AZGAKELHSA-N 405.538 4.603 0 40 HJAB CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccccc1 9250357 GCHQVZWKUOPSQT-UHFFFAOYSA-N 406.507 4.624 0 40 HJAB CCc1ccccc1-n1nnc(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)c1C 9638227 BVQOHNIGXTVLCV-UHFFFAOYSA-N 424.917 4.562 0 40 HJAB O=C(c1ccco1)N1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1 9796605 KAQXIFBBISJIOA-UHFFFAOYSA-N 424.913 4.567 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4ccc(F)cc4)ccc32)cc1 10220763 NLWAFSXBGXKSCY-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB O=C(NCCCNC(=O)C(c1ccccc1)c1ccccc1)c1cc2ccccc2o1 10313437 XCVVCMFFCKPHHY-UHFFFAOYSA-N 412.489 4.501 0 40 HJAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2)cc1)c1cccc(Cl)c1 10331516 BUOPCPCZPFSFIK-UHFFFAOYSA-N 414.914 4.559 0 40 HJAB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc3cccc(Cl)c3n2)CC1 12219481 QPMNMHXSFJWGLD-UHFFFAOYSA-N 411.908 4.655 0 40 HJAB COC(=O)C[C@@H](NC(=O)c1csc(-c2cccs2)n1)c1ccccc1Cl 12859402 PQQPWHCYAQSBDE-CYBMUJFWSA-N 406.916 4.559 0 40 HJAB O=C(CSc1ccc(Cl)cc1)Nc1nnc(Cc2ccc(Cl)s2)o1 13653854 YRHYPIOAMHYTMA-UHFFFAOYSA-N 400.312 4.760 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@@H]3C2=O)c(C)c1 13807149 HFOLDOQWPQYRAR-HJOGWXRNSA-N 412.489 4.663 0 40 HJAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccc2c(c1)OCO2 14250989 IEWFYTCWUUPDHX-UHFFFAOYSA-N 406.385 4.739 0 40 HJAB CCc1ccc([C@@H](NC(=O)c2ccc3c(c2)nnn3CC)c2cccc(F)c2)cc1 14632854 CMCIFZMCLRVEBN-HSZRJFAPSA-N 402.473 4.672 0 40 HJAB COc1ccc(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)Cc2cccs2)cc1 14903582 MWQVNNZWZHCSOC-SFHVURJKSA-N 409.551 4.968 0 40 HJAB COc1ccc(CNc2oc(-c3ccc(Cl)cc3)nc2P(=O)(OC)OC)cc1 16750896 DRGHRURDGKPOFT-UHFFFAOYSA-N 422.805 4.727 0 40 HJAB C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(F)c(F)c1 16912660 NMMYOCNMOSRGPE-INIZCTEOSA-N 422.475 4.848 0 40 HJAB O=C(NC(=S)Nc1cc(Cl)ccc1O)c1cccc(OCc2ccccc2)c1 17089411 ZIFYZYCPKLVIEG-UHFFFAOYSA-N 412.898 4.751 0 40 HJAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cccc(Br)c3)nc12 17092114 QUTZOEFVWMRQHI-UHFFFAOYSA-N 420.357 4.802 0 40 HJAB COc1ccc(COc2ccc(C)nc2-c2ccc(F)cc2)nc1Br 19872920 QYHHHUPKXSCJPQ-UHFFFAOYSA-N 403.251 4.941 0 40 HJAB O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2cc(Cl)ccc2Cl)CC1 19943595 PHPUTGOYXMEPTK-UHFFFAOYSA-N 421.349 4.658 0 40 HJAB Cc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)Nc3ccnc(Cl)c3)cc12 20724456 OTRXUGSVQLESAH-UHFFFAOYSA-N 400.862 4.508 0 40 HJAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 32899934 WBDUKJOSZSMAHM-UHFFFAOYSA-N 424.503 4.551 0 40 HJAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCC(c1ccccc1)c1ccccc1 32963881 RQLJZSXVFJIMLT-GOSISDBHSA-N 420.940 4.797 0 40 HJAB Cc1cc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)n(-c2ccccc2)n1 36413151 VBAFRDBYNDMVPZ-UHFFFAOYSA-N 420.476 4.633 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3cc(C)ccc3C)c3c(C)nn(C)c3n2)c1 36616721 UBTGCOWZMZPCIP-UHFFFAOYSA-N 400.482 4.821 0 40 HJAB Cc1ccc2occ(CN(Cc3ccncc3)C3CC(C)(C)NC(C)(C)C3)c(=O)c2c1 36740550 VLKVEAJGEGIBET-UHFFFAOYSA-N 419.569 4.808 0 40 HJAB C=C1c2ccccc2C(=O)N1CCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 40033939 RPCUSVWBSCGLRB-JOCHJYFZSA-N 420.559 4.801 0 40 HJAB O=C(NCCOc1cccc(Cl)c1)c1ccc(SCc2cscn2)cc1 40113498 UTJPCTFJURAFNL-UHFFFAOYSA-N 404.944 4.898 0 40 HJAB CCOc1ccc(Oc2ccccc2NC(=O)C(=O)c2cnn(C(C)(C)C)c2)cc1 40118658 URUSYVFFBQEHCT-UHFFFAOYSA-N 407.470 4.651 0 40 HJAB CCOc1cc([C@H]2NCc3cc(OCC)c(OCC)cc3-n3cccc32)ccc1O 55028076 OXCXEWMONGDTMR-XMMPIXPASA-N 408.498 4.572 0 40 HJAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 58434667 ZDMCHGBQXPSEAK-HYBUGGRVSA-N 421.585 4.548 0 40 HJAB O=C(CN1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1)Nc1nccs1 72348894 YWRAABKWAUARFQ-INIZCTEOSA-N 412.946 4.677 0 40 HJAB O=S(=O)(Cc1ccccc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349367 VSJFKVVHBDMCLL-NRFANRHFSA-N 424.541 4.521 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 72357973 MMWUHNDHJKJUCS-DEOSSOPVSA-N 404.485 4.726 0 40 HJAB CCc1cccc(C)c1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 98211330 PMSXLSNFOYSKNC-UHFFFAOYSA-N 404.445 4.854 0 40 HJAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)N1CCCc2ccccc21 102229420 AYFXMFGAAXUFOK-UHFFFAOYSA-N 409.489 4.524 0 40 HJAB C[C@@H]1[C@@H](NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)CCC[C@H]1C 108871654 PDMKLCHUTQOBRW-GJYPPUQNSA-N 414.619 4.813 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4ccncc4)c3C)N21 222674755 DDPBXADSUZPBRQ-WTIAFYNJSA-N 417.582 4.923 0 40 HJAB CCCc1ccc(OCCNC(=O)CSCc2ccc(Br)cc2)cc1 223454962 CAXCVALLSICMIT-UHFFFAOYSA-N 422.388 4.830 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC2=CCCCC2)ccc1Cl 223956082 BLLUWSDDJUKNCR-UHFFFAOYSA-N 418.946 4.679 0 40 HJAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NC(C)(C)CC(C)(C)C 224078156 XNWVZPQQDYWDRM-UHFFFAOYSA-N 402.560 4.740 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 224140566 MENHXSPGGGUZMG-XMMPIXPASA-N 422.569 4.548 0 40 HJAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCCCCCC3)c2)c1 224141391 IFGMTDWIXXVTDS-UHFFFAOYSA-N 414.571 4.663 0 40 HJAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)c1 224829928 XTYWVHYSOIMCCT-FCHUYYIVSA-N 422.554 4.658 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1CN1CCCCC1 224837030 CUMBWZQMYUSGEA-QFIPXVFZSA-N 400.950 4.800 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 225585000 WAOURDILXLJVAN-GCJKJVERSA-N 414.977 4.913 0 40 HJAB O=C(O)c1cccc(CN2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)c1 257283299 OXSCZIJXOLHOHN-IBGZPJMESA-N 410.901 4.997 0 40 HJAB COc1cccc(OC)c1C(=O)NCCSCc1c(Cl)cccc1Cl 408576221 ULUZJXCAYKVNPT-UHFFFAOYSA-N 400.327 4.674 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)cc1C 408647888 XVIVIGIWDHEFNA-INIZCTEOSA-N 415.331 4.674 0 40 HJAB Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl 408701788 FTKZDKJODLGVTO-UHFFFAOYSA-N 420.962 4.630 0 40 HJAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)S1 408809014 GRIKCWJVHDTLBB-UHFFFAOYSA-N 413.519 4.562 0 40 HJAB COc1cc(OC)c(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br 408823337 NVVJPHAZAXOKJF-SXGWCWSVSA-N 420.284 4.707 0 40 HJAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccccc3)n2C)c1 409162387 DLAWBVHPOFYACQ-UHFFFAOYSA-N 410.543 4.557 0 40 HJAB CC(=O)N1CCCc2cc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)ccc21 522817885 NIOWIIKTAGGGCQ-UHFFFAOYSA-N 401.510 4.988 0 40 HJAB OCCN1CCC(c2ccnc(Nc3ncc(/C=C/c4ccc(F)cc4)s3)c2)CC1 585262783 FOBIKDBPKCSCSW-ZZXKWVIFSA-N 424.545 4.763 0 40 HJAB CC1(C)CCC(C)(C)N(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)C1 1131430563 DXGSSIDCZMXGTB-UHFFFAOYSA-N 409.555 4.552 0 40 HJAB COc1ccc([C@@H]2SCCN2C(=O)/C=C/c2cccs2)cc1Br 1565523281 KWQASEYQIPUIAS-UABRLCRWSA-N 410.358 4.807 0 40 HJAB COC(=O)c1ccc2c(CNCc3ccccc3)cn(Cc3ccc(OC)cc3)c2c1 1857788535 VVZWFSIHTJAWJA-UHFFFAOYSA-N 414.505 4.775 0 40 HJAB O=C(Nc1cccc(Cl)c1)Oc1cc2sc(=O)oc2cc1Br 1242847 LXUKWPWKINTZPY-UHFFFAOYSA-N 400.637 4.881 0 40 HJAB Cc1sc(NC(=O)C2CC2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 1366516 VRHHVVQONUSQAV-UHFFFAOYSA-N 409.555 4.936 0 40 HJAB CCOC(=O)c1nnc(-c2ccccc2)nc1Sc1cccc(C(F)(F)F)c1 1392071 CRHVUDYZCKDXIA-UHFFFAOYSA-N 405.401 4.885 0 40 HJAB CCc1cccc(C)c1N(C(=O)CSc1nc2cc(C)ccc2[nH]1)[C@@H](C)COC 2666056 GSYKRHBKHPBDPE-KRWDZBQOSA-N 411.571 4.902 0 40 HJAB COC(=O)c1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 3224402 FUNGESHUDOHBFK-UHFFFAOYSA-N 419.915 4.523 0 40 HJAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc(Br)ccc1Cl 3419910 WNWUTOBDSQXBHH-MRXNPFEDSA-N 411.727 4.653 0 40 HJAB COc1cccc(C2=NN(C(C)=O)[C@H](c3cc4ccc(OC)cc4nc3Cl)C2)c1 4306601 XXYIKYWDOMXTBF-NRFANRHFSA-N 409.873 4.603 0 40 HJAB COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 4702368 JPPKLTMBSUZHSO-DEDYPNTBSA-N 418.424 4.511 0 40 HJAB CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccc(Cl)cc1 4814838 LVLPWJYWGGKSMQ-LLVKDONJSA-N 407.952 4.503 0 40 HJAB O=C(Nc1cccc(F)c1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 4967123 YRBUVYZMYKXQMA-UHFFFAOYSA-N 416.909 4.957 0 40 HJAB Cc1ccccc1-c1nc2scc(CCNC(=O)c3c(F)cccc3Cl)n2n1 5166489 IIZHZOBBBXHLFS-UHFFFAOYSA-N 414.893 4.531 0 40 HJAB CCCc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1-n1cccc1 5223807 FZUFKZKPMFMBDL-UHFFFAOYSA-N 417.538 4.801 0 40 HJAB CC(C)c1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 6307430 AFVQFNGSNCXQIT-UHFFFAOYSA-N 415.342 4.522 0 40 HJAB C=CCOc1cccc(/C=C2\C(=O)N(c3cccc(SC)c3)C(C)=C2C(=O)OC)c1 6348309 CXJYYXRFJZWQSL-STZFKDTASA-N 421.518 4.851 0 40 HJAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(OCCC)cc2)c1 6386538 MGKPCLNDEZLLQB-UHFFFAOYSA-N 413.543 4.731 0 40 HJAB O=C(CCc1c[nH]c2ccccc12)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 6589035 HGFAAYQJXQJTPD-UHFFFAOYSA-N 420.900 4.995 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NC1CCCCCC1 6623613 FNMKYKLQLSDWSB-UHFFFAOYSA-N 412.584 4.927 0 40 HJAB COc1ccc(OCCCSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)cc1 7114278 DMTWRIHCNRIPIR-UHFFFAOYSA-N 405.907 4.704 0 40 HJAB C[C@@H]1CSC(N(C(=O)/C=C/c2ccc3c(c2)OCCO3)c2ccc(Cl)cc2)=N1 7778654 ZGCQCQJILGWJLB-WVRVXFOWSA-N 414.914 4.649 0 40 HJAB Cc1ccc(COc2ccc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)cc2)cc1 8373019 OIVJALJWUWLZKA-BUVRLJJBSA-N 412.489 4.975 0 40 HJAB Cc1ccc(C)c(N(CC(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)c1 9426977 WNTFGVWEYRIOHX-UHFFFAOYSA-N 424.522 4.500 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnc(NC[C@H]2CCCO2)s1 9448344 MFICODBVMIPVNQ-CQSZACIVSA-N 421.979 4.569 0 40 HJAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(F)ccc3F)c3ccccc3n2)o1 9632233 HBVRPIDYUZWXFC-UHFFFAOYSA-N 422.387 4.877 0 40 HJAB CCOc1ccc(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1OCC 9668165 MQEZOKYCIILCJY-UHFFFAOYSA-N 424.522 4.979 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)o2)cc1 9879423 KLIDWCSZPIDNDK-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)Nc1c(Cl)cccc1Cl 9957919 CYXKBWFKVAVJTO-UHFFFAOYSA-N 424.265 4.503 0 40 HJAB COc1cc(NC(=O)c2sc(C)nc2-c2ccccc2)ccc1N1CCCC1=O 11447013 OVNXXJFPIAHKSE-UHFFFAOYSA-N 407.495 4.506 0 40 HJAB CC(=O)N1c2ccc(NCc3cc(-c4ccc(Cl)cc4)c[nH]c3=O)cc2C[C@H]1C 12144105 LHDLYKLPNCJWIS-CQSZACIVSA-N 407.901 4.605 0 40 HJAB Cc1ccc2c(C)cc(SCC(=O)Nc3ccc(C(=O)N(C)C)cc3)nc2c1C 12546061 QCXRKRKBPLBMHP-UHFFFAOYSA-N 407.539 4.593 0 40 HJAB O=C(CNCc1c(-c2ccccc2)[nH]c2ccccc12)Nc1ccc(F)c(F)c1F 12567113 FDJJJYFSXPWEHZ-UHFFFAOYSA-N 409.411 4.981 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 12999402 PJWMRABLYRWCKP-CQSZACIVSA-N 400.935 4.837 0 40 HJAB CCOc1ccc2nc(NC(=O)C[C@@H]3c4ccccc4C=CN3C(C)=O)sc2c1 15611232 KYPHDKNTMZJRCR-LJQANCHMSA-N 407.495 4.598 0 40 HJAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 18006266 JLWZJYZXNGYRSD-UHFFFAOYSA-N 420.362 4.815 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O 18148920 KHQSPRMCVPPRPQ-OKILXGFUSA-N 416.399 4.637 0 40 HJAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Nc1cccc(Cl)c1 18171956 PYPWPJNJBWAMBY-UHFFFAOYSA-N 419.909 4.618 0 40 HJAB COc1ccccc1-c1noc(CSc2nnc(-c3c[nH]c4ccccc34)o2)n1 18766675 QEKOTCMVKCBYGN-UHFFFAOYSA-N 405.439 4.569 0 40 HJAB O=C(c1c(F)cccc1F)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 19292639 ZJRVMGYFBAXCIQ-UHFFFAOYSA-N 420.463 4.714 0 40 HJAB O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 19376082 BHBOGBVOYMTWLL-LJQANCHMSA-N 418.541 4.665 0 40 HJAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3c[nH]nc3C(C)(C)C)cc2n1 19522333 MHQJCMYGUWYNKH-INIZCTEOSA-N 420.483 4.668 0 40 HJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 20106113 VTRCKGRNLAPXJD-SFHVURJKSA-N 420.475 4.747 0 40 HJAB Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1 23125774 DXFRJMMLLLBFIP-UHFFFAOYSA-N 420.943 4.787 0 40 HJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N[C@H]1CCC[C@H](C(F)(F)F)C1 25144431 UARVJLRWIFPMFV-JSGCOSHPSA-N 401.816 4.560 0 40 HJAB COc1ccc(NC(=O)c2sc3nc(-c4ccccc4)nc(C)c3c2N)c(OC)c1 27789216 CXRGOPYBUVCLHH-UHFFFAOYSA-N 420.494 4.518 0 40 HJAB O=C(CSCc1ccccc1Cl)Nc1ccccc1C(=O)N1CCCCC1 27919985 NXTMHAQBZXTSOK-UHFFFAOYSA-N 402.947 4.838 0 40 HJAB COc1cccc(OCc2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)o2)c1 28225041 XZJAZLWWEFYQFA-UHFFFAOYSA-N 410.451 4.738 0 40 HJAB Cc1cc(C)c2c(=O)cc(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)oc2c1 28293459 GBKNUICKTUDQSL-GOSISDBHSA-N 424.566 4.818 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)c(Cl)c2)cc1 30752045 TUTHYZJFJFRRRE-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1nc2c(-c3cccs3)nc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2s1 32616343 VURZVSNVAYSQNY-UHFFFAOYSA-N 407.442 4.957 0 40 HJAB CCCOc1c(Cl)cc(C(=O)NCc2ccc(NC(=O)OC)cc2)cc1OCC 32935166 JNJJCDQBCZJKNC-UHFFFAOYSA-N 420.893 4.636 0 40 HJAB CC(C)c1ccc(CN(c2ccc3c(c2)OCO3)S(=O)(=O)c2cccs2)cc1 33808213 OGIRCBYVTBVZRK-UHFFFAOYSA-N 415.536 4.996 0 40 HJAB CCCC(=O)Nc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)s1 35310824 DASBJGKJBTTWTL-UHFFFAOYSA-N 412.540 4.675 0 40 HJAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 36393998 DWYUIXANAMYTFD-CHWSQXEVSA-N 421.324 4.987 0 40 HJAB CSc1ncccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 38708671 QFUAJRSFXJEKDS-UHFFFAOYSA-N 403.507 4.535 0 40 HJAB C[C@@H]1CCCC[C@@H]1N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)n2c1nc1ccccc12 39964058 RKURYZYBBQHUCF-MFMILTCTSA-N 420.488 4.671 0 40 HJAB CC(C)[C@@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(C2CCCCC2)cc1 40058012 UPVWDLWLPLHYJN-HSZRJFAPSA-N 403.526 4.869 0 40 HJAB S=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCN(Cc2ccccn2)CC1 44222115 GBHJQMANXWDKDA-UHFFFAOYSA-N 418.566 4.825 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3)cc2Cl)cc1 44839718 TYMUIEZAGDXAFF-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Oc1c(Cl)cc(Cl)cc1Cl 65566499 DNRHSSJEZDZHDT-UHFFFAOYSA-N 423.639 4.709 0 40 HJAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)NCc2ccccc2)cc1 71328005 YWTQRJSWXDXYCE-UHFFFAOYSA-N 423.582 4.852 0 40 HJAB CN(C)CCCN(C(=O)c1cnn(C(C)(C)C)c1)C(c1ccccc1)c1ccccc1 72277470 LJCRCPDWGFHTAE-UHFFFAOYSA-N 418.585 4.822 0 40 HJAB CC(C)n1c([C@@H]2CCCN(C(=O)Nc3nnc(C4CC4)s3)C2)nc2ccccc21 72305824 DAWQSNDAAXOPDY-OAHLLOKOSA-N 410.547 4.758 0 40 HJAB O=C(/C=C/c1ccc(Br)s1)NCC1(c2ccc(F)cc2)CCOCC1 84393247 LCQCHOHIISMRDE-SOFGYWHQSA-N 424.335 4.528 0 40 HJAB C[C@H](C[C@H](O)c1ccccc1)NC(=O)Cc1csc(-c2ccccc2Cl)n1 84637067 GXAWVBNAJRJYGA-KUHUBIRLSA-N 400.931 4.634 0 40 HJAB Cc1nc(CN2CCC3(CC2)C[C@H](CC(=O)NC2CCC2)c2ccccc23)cs1 96052757 RZSFVWPAWOEZSZ-SFHVURJKSA-N 409.599 4.531 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCOc1cccc2ccccc12 223558677 UFVDCLSQCMYOIN-OAHLLOKOSA-N 414.299 4.565 0 40 HJAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 223877839 CSMBZKSDWSOELN-FCHUYYIVSA-N 404.539 4.881 0 40 HJAB Cc1ccccc1[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(C)C 224025842 QYYZGQSCMRSWRT-HSZRJFAPSA-N 422.550 4.923 0 40 HJAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1C 224337640 SHAGOJJMTFEHNF-UHFFFAOYSA-N 400.522 4.675 0 40 HJAB COc1ccc(C2(CNC(=O)c3ccc(-c4ccsc4)cc3)CCOCC2)cc1 225616760 AJTWWQFAEWYCJO-UHFFFAOYSA-N 407.535 4.902 0 40 HJAB CC(C)Cn1c(C(C)C)nc2c1C1(CCN(C(=O)C3CC3)CC1)Oc1ccccc1-2 306138658 SDTOKFVSNJEQGH-UHFFFAOYSA-N 407.558 4.950 0 40 HJAB C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)c2C(N)=O)C1 408576980 ZGDDHRWPARCTTG-BRADTZPFSA-N 406.507 4.884 0 40 HJAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(C)c1Br 408646162 VRVNVGRSJBADQH-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(OC)c(OC)c3)S2)cc1 408768934 MJDNZNXPFWBOLQ-ZZODWALSSA-N 404.919 4.519 0 40 HJAB Brc1ccc(C(Br)(Br)Br)cc1 1682850 JYAVJLTUVOJMPZ-UHFFFAOYSA-N 407.725 4.744 0 40 HJAB CCc1cc(=O)oc2c(C)c(OCC(=O)c3c(C)n(C)c4ccc(OC)cc34)ccc12 2093879 JNKXPJHOUVWQAG-UHFFFAOYSA-N 419.477 4.734 0 40 HJAB biogenic CC(C)(C)OC(=O)NCCCC(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2096269 GAPKJDLMDLXBDP-UHFFFAOYSA-N 423.465 4.670 0 40 HJAB biogenic COc1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)N(C)C)ccc3c2=O)cc1 2424231 SGXJWDVYEFNRLR-UHFFFAOYSA-N 423.343 4.673 0 40 HJAB biogenic CCCOc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 2502548 VCHBRQAKDFFHRI-HSZRJFAPSA-N 408.523 4.791 0 40 HJAB CCCCOc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 3115018 JGIBJNLPSDPMKF-PDGQHHTCSA-N 400.272 4.973 0 40 HJAB Cc1nn(CCc2nc(-c3ccccc3F)cs2)c2[nH]c(=O)cc(C(F)(F)F)c12 3253399 JZRXMESSAQXLTF-UHFFFAOYSA-N 422.407 4.557 0 40 HJAB O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(c2ccccc2O)CC1 3333147 OKOSBTISJBOLTP-UHFFFAOYSA-N 415.518 4.631 0 40 HJAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1ccc(Br)s1 3548098 VIBNHEZRWCWQSF-UHFFFAOYSA-N 406.257 4.514 0 40 HJAB CC(C)CN(CC(C)C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 3580162 DUSVLVUBEIVVIL-UHFFFAOYSA-N 423.582 4.618 0 40 HJAB CCSc1nnc(CNC(=O)c2cccc3ccccc23)n1-c1cccc(C)c1 4059363 XJRGWOJUSVDKKU-UHFFFAOYSA-N 402.523 4.771 0 40 HJAB CCCNC(=S)N(Cc1ccc(Cl)cc1)Cc1cc2ccc(C)cc2[nH]c1=O 4216040 JNUHGRRVVGCDPZ-UHFFFAOYSA-N 413.974 4.777 0 40 HJAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccccc1-c1ccccc1 4349536 YKOKANVIDLGUIY-UHFFFAOYSA-N 411.490 4.904 0 40 HJAB Cc1ccc(C)c(C(=O)C[C@@]2(O)C(=O)N(CCCc3ccccc3)c3ccccc32)c1 4555123 JCRIKDZHBIGPCH-MHZLTWQESA-N 413.517 4.743 0 40 HJAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc(Cl)c(Cl)c1 5246082 YJYNAJSPICTSMK-UHFFFAOYSA-N 404.297 4.902 0 40 HJAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N1c2ccccc2C[C@H]1C 5359299 RNJRHZHCYYOFHI-ZIAGYGMSSA-N 410.568 4.800 0 40 HJAB Cc1cc(NC(=O)CC[C@H]2COc3ccccc3O2)ccc1NC(=O)c1ccccc1 5424861 YCVHHRGTXWYBGV-FQEVSTJZSA-N 416.477 4.806 0 40 HJAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(N2CCOCC2)cc1 5616403 ZTOBFUSTJWHQBN-UHFFFAOYSA-N 415.704 4.501 0 40 HJAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OCc3cscn3)cc2)cc1 6589962 LIMUNHFIGPHYKY-HNNXBMFYSA-N 411.479 4.549 0 40 HJAB O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 7062490 QRGGRYDBPNNXBF-UHFFFAOYSA-N 404.491 4.946 0 40 HJAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cnn(Cc3ccccc3)c2)cc1 7113112 ZRNMUOORTRYYKW-XMMPIXPASA-N 410.477 4.711 0 40 HJAB CCOC(=O)c1sc(NC(=O)COc2cc(C)c(Cl)cc2C(C)C)nc1C 7973965 CPATWJVLUXKJGD-UHFFFAOYSA-N 410.923 4.731 0 40 HJAB CCOc1ccc(-c2nc(NC(=O)COc3cccc(C(C)=O)c3)sc2C)cc1 7988211 NKAZKMAGLYZYHB-UHFFFAOYSA-N 410.495 4.737 0 40 HJAB C[C@H]1CCc2c(sc3ncn(CC(=O)Nc4ccccc4C(C)(C)C)c(=O)c23)C1 8192871 VCQNGBWFPSUCOD-AWEZNQCLSA-N 409.555 4.519 0 40 HJAB COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)cc1 8657323 SSXMYZIGHRTZRI-HXUWFJFHSA-N 411.505 4.922 0 40 HJAB CCc1ccc(-c2noc(CSc3nnc(-c4ccccc4OC)n3CC)n2)cc1 8941300 BRUDEHJEFLIFNW-UHFFFAOYSA-N 421.526 4.878 0 40 HJAB Cc1noc(C)c1C(=O)O[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 9284446 AHLBXWSZWWRBJF-SFHVURJKSA-N 418.371 4.847 0 40 HJAB COc1cccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccccc3)[nH]2)c1 9674136 IEQWSLUCJOFJFW-UHFFFAOYSA-N 422.535 4.940 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2)nc2cc(Cl)ccc2c1=O 9987800 FQCCYFHRKXMGHY-UHFFFAOYSA-N 419.909 4.576 0 40 HJAB COc1ccc(-c2nc(COC(=O)Cn3c(C)cc4ccccc43)cs2)cc1OC 10622079 SSVCHRLKFGQRKO-UHFFFAOYSA-N 422.506 4.834 0 40 HJAB O=C(Nc1cc(F)cc(F)c1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 10665587 IMJWLXTYMBCZSH-UHFFFAOYSA-N 400.450 4.782 0 40 HJAB O=C(CNc1cccc(Br)c1)N[C@@H](c1ccccc1)c1cccs1 11113523 SHFFMMMVMXZDSQ-IBGZPJMESA-N 401.329 4.828 0 40 HJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 11115225 ZQUMZNVEVDFSMK-FGZHOGPDSA-N 407.539 4.820 0 40 HJAB O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)Nc1ccccc1F 12140483 IMRZGSLNAOXJCD-UHFFFAOYSA-N 418.291 4.776 0 40 HJAB CC1(c2ccccc2)COC2(OC1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12 12402444 OYKOPTZRMUQDTD-UHFFFAOYSA-N 403.453 4.530 0 40 HJAB CSCc1ccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 12777538 FAHFBHVYASINBQ-UHFFFAOYSA-N 423.607 4.631 0 40 HJAB C[C@@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)N(C)c1ccccc1 12976496 SXOAXBZTNRJLBC-MRXNPFEDSA-N 413.539 4.602 0 40 HJAB C[C@@H](Sc1nnc(Cc2cccs2)n1C)C(=O)c1ccc(Br)cc1 13120831 KOQXBZPYQGSMKW-LLVKDONJSA-N 422.373 4.593 0 40 HJAB COc1cc2c(cc1NC(=O)C[C@@](C)(C(=O)O)c1ccccc1)oc1ccccc12 13253572 XPWGIBNTGKXWIZ-XMMPIXPASA-N 403.434 4.966 0 40 HJAB O=C(NCc1cccc(F)c1)C1(Cc2ccccc2-c2cccnc2)CCOCC1 13266933 IJBMURZFBIFWKZ-UHFFFAOYSA-N 404.485 4.543 0 40 HJAB COc1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc(OC)c1OC 16643173 ZEHWUDZYLSEHNA-UHFFFAOYSA-N 415.449 4.575 0 40 HJAB CCOc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1Cl 17092441 GSAVORFWGZZKEZ-UHFFFAOYSA-N 420.852 4.792 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC(Cc3ccccc3)CC2)c1 17166699 PBOOGHXQILRJAJ-UHFFFAOYSA-N 420.582 4.788 0 40 HJAB CC(C)(NC(=O)N1CCCCC1)c1cccc(C(C)(C)NC(=O)N2CCCCC2)c1 19075295 JFIVNXKHTXZXQQ-UHFFFAOYSA-N 414.594 4.548 0 40 HJAB CCOc1ccccc1-c1ccccc1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 19659889 YVIZKXHEJKXKBI-GOSISDBHSA-N 406.526 4.872 0 40 HJAB Cc1nc(CC2CCN(C(=O)[C@H]3CC34CCC4)CC2)cc(NCc2ccccc2F)n1 19758919 SUJKQLNVUWDRCY-OAQYLSRUSA-N 422.548 4.508 0 40 HJAB O=C(c1ccc(-c2ccccc2F)o1)N1CCN(Cc2ccc(Cl)s2)CC1 23873128 SSSMVPXQRTYYIX-UHFFFAOYSA-N 404.894 4.759 0 40 HJAB Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)OCc1ccc(-c2ccccc2)cc1 24137725 YUESQTADVUAZIT-HAHDFKILSA-N 414.440 4.529 0 40 HJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccccc1C(=O)c1ccccc1 24928536 YSAPWMMEBFPKGY-UHFFFAOYSA-N 419.431 4.935 0 40 HJAB COc1ccccc1N(Cc1cccc2cccnc12)S(=O)(=O)c1ccc(F)cc1 25812409 NZYMOZCUDDVKNG-UHFFFAOYSA-N 422.481 4.778 0 40 HJAB COc1ccccc1C(=O)NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1 32126964 BEVZDNLOHVHDHB-UHFFFAOYSA-N 412.323 4.739 0 40 HJAB CCN(CC)Cc1cccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1 32809921 XAMBLWJVQQBSKQ-UHFFFAOYSA-N 404.436 4.536 0 40 HJAB CC(C)Oc1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1 33088704 XSBHNRLHESVKEW-UHFFFAOYSA-N 422.506 4.532 0 40 HJAB CN(C)CCCn1c(S)nnc1-c1ccc(COc2ccc(C(C)(C)C)cc2)o1 33580380 PLLFQEVZZVRUIC-UHFFFAOYSA-N 414.575 4.655 0 40 HJAB Oc1ccc([C@@H]2N=C3SC(c4ccccc4)=NN3C(=S)N2c2ccccc2)cc1 34702572 BIXNUFDJQXRYNP-LJQANCHMSA-N 416.531 4.963 0 40 HJAB Cc1ccc(-c2csc(-c3cc(NC(=O)COc4ccc(F)cc4)n(C)n3)n2)cc1 35683187 IDRUBSXGUGNISF-UHFFFAOYSA-N 422.485 4.676 0 40 HJAB COc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 36454221 GNGRQUTWTDBJEU-UHFFFAOYSA-N 407.341 4.530 0 40 HJAB COc1ccc(CN(C)C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)c(OC)c1 36762341 HWSPSURWXRKHQG-UHFFFAOYSA-N 419.525 4.566 0 40 HJAB O=C(O)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 38204493 GPJVCAWCTLZRCP-NVNXTCNLSA-N 408.262 4.928 0 40 HJAB COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c1 38834763 ZULJKLRUQWNWCW-OAHLLOKOSA-N 423.340 4.861 0 40 HJAB CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 44774948 ARGMKEIULVSZSO-SJORKVTESA-N 406.507 4.733 0 40 HJAB CC[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(OC)cc1 44936371 NIIUHZXZVSTRNF-JOCHJYFZSA-N 418.940 4.967 0 40 HJAB O=C(Nc1ccc(Cn2cnc(C(=O)Nc3ccccc3F)c2)cc1)c1ccccc1 49421928 FFOMKWUDSXXDAM-UHFFFAOYSA-N 414.440 4.575 0 40 HJAB C[C@@H](NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 57486762 YAYSKKNISMLGCE-OAHLLOKOSA-N 406.873 4.736 0 40 HJAB Cc1cc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)n(CC(C)C)c(=O)c2[nH]1 67237685 QNWSPNTZPKHJFU-UHFFFAOYSA-N 412.559 4.543 0 40 HJAB Cn1nc(-c2ccncc2)cc1NC(=O)CCCCc1ccc(Br)cc1 72300846 NNYBOZBVMBKPKI-UHFFFAOYSA-N 413.319 4.596 0 40 HJAB CNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)CC(C)C)CC1 72345306 ASPZWAGOFNJHBZ-UHFFFAOYSA-N 406.570 4.605 0 40 HJAB COc1ccc2nc(Cl)c(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2c1 83970172 SNKACQXGPNLAEI-UHFFFAOYSA-N 423.900 4.775 0 40 HJAB O=C(C[C@@H]1CC2(CCN(C(=O)C3CCCCC3)CC2)Oc2ccccc21)NC1CCC1 96243169 GVFCXIVMGZDECA-HXUWFJFHSA-N 424.585 4.553 0 40 HJAB CCSc1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1)C1=C(O)CC(C)(C)CC1=N2 102665226 ASKFCEHWULLGRB-SFHVURJKSA-N 414.531 4.715 0 40 HJAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1 222387327 YPRKARDIVLLPBT-NRFANRHFSA-N 414.549 4.680 0 40 HJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)O)c3)o2)S1 222630692 NGJCAHJBVGQSGX-CWVNLOTRSA-N 405.479 4.629 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 223311375 PYJVMGALYKIMFV-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB Cc1cc(C(=O)NC2CCCCCC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224005859 HXQSGQRASXPTSE-UHFFFAOYSA-N 420.962 4.902 0 40 HJAB Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)c(C)c1 224119739 AQVSRBUEZFYSDY-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 225614840 ICEFGQWSTGSBJP-LAUBAEHRSA-N 400.950 4.605 0 40 HJAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3cc(OC)cc(OC)c3)nc2c1 226283838 BOYPIZNJCIAECZ-UHFFFAOYSA-N 408.376 4.736 0 40 HJAB Cc1nc(C)c(CC(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)s1 257288709 PVGMLRQTVGHYMD-SHTZXODSSA-N 416.572 4.504 0 40 HJAB COc1ccccc1N1CCC(N(CC(=O)O)Cc2ccc(Cl)c(Cl)c2)CC1 257319567 VTBLFHWLRNTLTR-UHFFFAOYSA-N 423.340 4.558 0 40 HJAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)[C@H]1CCCN1c1nc2ccccc2o1 390829058 CONGLJXIRUOSQB-FUHWJXTLSA-N 401.576 4.709 0 40 HJAB COc1c(C)cccc1C(=O)Nc1ccc(I)cc1Cl 408619441 CBXVTICONWHXDR-UHFFFAOYSA-N 401.631 4.514 0 40 HJAB O=C(Nc1ccc2sc(C(=O)N3CCCC3)cc2c1)c1ccc(F)c(F)c1F 408713183 NHEVIKHZBAJZRU-UHFFFAOYSA-N 404.413 4.807 0 40 HJAB Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1F 919465 OUGJFYLPPFVBNX-CZUORRHYSA-N 408.355 4.836 0 40 HJAB O=C(CSc1nnc2sc3ccccc3n12)Nc1ccccc1C(F)(F)F 948486 CSLYINZKCVWHOH-UHFFFAOYSA-N 408.430 4.694 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 1368489 VFDFRKMPTIWGEI-UHFFFAOYSA-N 404.495 4.626 0 40 HJAB CCCOC(=O)c1ccc(N2COc3ccc4c(CCC)cc(=O)oc4c3C2)cc1 2126058 ZMLDGNRGCRQMOQ-UHFFFAOYSA-N 407.466 4.669 0 40 HJAB biogenic Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(Cc1ccccc1)C3=O 2198123 NNMIHHWWZLHKBD-JOCHJYFZSA-N 411.457 4.861 0 40 HJAB COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)c1 2436590 IVPOVJLAGGNUET-HXUWFJFHSA-N 418.836 4.600 0 40 HJAB C[C@@H](NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1 3303663 DTWNFGWWNHFCKL-MRXNPFEDSA-N 400.434 4.529 0 40 HJAB COc1ccccc1NC(=O)c1ccccc1NC(=O)CCOc1cccc(C)c1 3447731 IXWKARIHYAMQAK-UHFFFAOYSA-N 404.466 4.664 0 40 HJAB CCOc1ccc([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)cc1 3642459 OWKMXQWWXXCDGZ-DLBZAZTESA-N 404.301 4.712 0 40 HJAB COc1ccccc1[C@@]1(CCNCc2ccc3c(c2)OCO3)CCO[C@H](C(C)C)C1 4046901 NMPJHGCISZRRPQ-DQEYMECFSA-N 411.542 4.677 0 40 HJAB biogenic COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3cccs3)c3c([nH]c4ccccc34)[C@H]21 4086669 MBTYOUHHAPXLTE-NYHFZMIOSA-N 416.502 4.937 0 40 HJAB biogenic Cn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1c[nH]c2ccccc12 4138348 XIFRQLSVRVAERT-UHFFFAOYSA-N 413.506 4.847 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 4389752 GUYARDYVEODDND-IAGOWNOFSA-N 423.538 4.547 0 40 HJAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(C(C)C)cc1 4734767 LMYJESHFOMMOJE-QFIPXVFZSA-N 405.498 4.638 0 40 HJAB Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1CCc1ccccc1 6097478 AWPDBBOVHLWEAD-UHFFFAOYSA-N 408.571 4.641 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1F)N(c1nccs1)C3=O 6732808 DIGYQYLEGOFOJD-SFHVURJKSA-N 406.438 4.755 0 40 HJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 6760267 UJMCAFVKOZIVTG-MRVPVSSYSA-N 413.326 4.540 0 40 HJAB O=C(/C=C/c1ccc(-c2ccccc2F)o1)N1CCC(C(=O)N2CCCCCC2)CC1 6987539 BEZKUMAXENPOKZ-ZRDIBKRKSA-N 424.516 4.740 0 40 HJAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CCSc3ccccc32)cc1 8133084 CVXZSRPQSQAGMS-OAQYLSRUSA-N 408.523 4.766 0 40 HJAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2nc3ccccc3s2)o1 8339079 LFVQZQYZXOYIRC-UHFFFAOYSA-N 405.479 4.645 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc2c(ccc3ccccc32)o1 9094908 UOVLTFLNGRDEMA-UHFFFAOYSA-N 420.490 4.623 0 40 HJAB COc1c(Cl)ccc2c(Cl)c(C(=O)NCC(=O)Nc3ccccc3C)sc12 9225848 RYUYITMQWFRMCL-UHFFFAOYSA-N 423.321 4.894 0 40 HJAB O=C(CSc1ccc2c(c1)OCCO2)N1CCC[C@H]1c1nc2ccccc2s1 9592063 QILGCIWUKJPJMV-INIZCTEOSA-N 412.536 4.523 0 40 HJAB CCOC(=O)Cc1csc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)n1 9592413 AGBMJEJNRYNCDI-UHFFFAOYSA-N 419.506 4.509 0 40 HJAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 11717439 INXPKLNCFQBHJU-UHFFFAOYSA-N 407.495 4.847 0 40 HJAB CC[C@H](C)c1ccc(-c2csc(NC(=O)Cn3cnc4sccc4c3=O)n2)cc1 12755961 BZSJDBIJEOGEPQ-ZDUSSCGKSA-N 424.551 4.734 0 40 HJAB O=C(CSc1ncnc2ccccc12)N1N=C(c2cccs2)C[C@H]1c1ccco1 13117029 CQKYYQKFQREYIM-KRWDZBQOSA-N 420.519 4.754 0 40 HJAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)Cc2cccs2)c1 14165191 RDEWOYVAIHPMSQ-UHFFFAOYSA-N 417.534 4.941 0 40 HJAB CC(C)(C)OC(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 14674399 JOMAWHGVPLBLEK-SDNWHVSQSA-N 422.456 4.577 0 40 HJAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(C[C@H]2CC=CCC2)C1 19236812 XOXJGZHJMGRMII-WRALFONMSA-N 403.570 4.929 0 40 HJAB CCCOc1cc2c(cc1CN[C@@H](Cc1cccs1)c1nccs1)OCO2 19503846 GSJRAIUTMVUABN-INIZCTEOSA-N 402.541 4.796 0 40 HJAB CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2Cl)C1 19591739 SNZVTWLNSMPCST-VWLOTQADSA-N 419.956 4.583 0 40 HJAB Cc1cc(C)n(-c2ccc(CCC(=O)Nc3nc(-c4ccccn4)cs3)cc2)n1 19655965 ACKJEEDOWGVXLW-UHFFFAOYSA-N 403.511 4.579 0 40 HJAB C[C@@H](Oc1ccccc1)c1nnc(NC(=O)c2ccc3c(c2)ncn3C2CC2)s1 19714276 GRJNBUNSROFDNA-CYBMUJFWSA-N 405.483 4.615 0 40 HJAB COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(C(C)C)cc2)C4)cc1 20671751 KQUMXJCUMSBSRK-LJQANCHMSA-N 412.493 4.836 0 40 HJAB Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 21703750 VOYLAGURWIXXMI-OAHLLOKOSA-N 412.536 4.929 0 40 HJAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 21923954 KUSJSRUYOKJHBH-UHFFFAOYSA-N 420.456 4.585 0 40 HJAB COc1ccc(C(=O)C2CCN(C(=O)c3c(-n4cccc4)sc(C)c3C)CC2)cc1 26131537 FLSONXKDSDJRFY-UHFFFAOYSA-N 422.550 4.899 0 40 HJAB Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N(C)C)oc2c1C 28290365 IHONNFHXPVRCQL-OAQYLSRUSA-N 420.553 4.740 0 40 HJAB C[C@@H](NS(=O)(=O)c1ccccc1Br)c1ccc(C(F)(F)F)cc1 28328406 KQCZQZYIKZGDBX-SNVBAGLBSA-N 408.239 4.507 0 40 HJAB C[C@@H]1Sc2ccc(C(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)cc2NC1=O 29848589 QCKYHHUAPHTDJB-KKSFZXQISA-N 414.530 4.907 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 30939000 RPNOUINJHCWNDK-MRXNPFEDSA-N 421.324 4.631 0 40 HJAB Cc1[nH]c2ccc(C(=O)N[C@H]3CC4(CCN(C)CC4)Oc4ccccc43)cc2c1C 32676304 VBFIQBHMPRZFCW-QFIPXVFZSA-N 403.526 4.503 0 40 HJAB Cc1ccc(-c2noc([C@H](C)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2)cc1F 32901385 JJEGBUXDECEGPF-FUHWJXTLSA-N 408.477 4.596 0 40 HJAB COc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2cccc(C)c2)n1 33325071 KUONNVAKHTVQQC-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB COc1cc(OC)c([C@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)cc1OC 36357663 NATZPTHHBYNJJK-OAHLLOKOSA-N 413.861 4.675 0 40 HJAB Cc1ccc(-c2csc3c(=O)n(CC(=O)Nc4cc(C)ccc4C)cnc23)cc1 38651713 ZPCHZYXBYRXRJW-UHFFFAOYSA-N 403.507 4.689 0 40 HJAB Cc1cccc(N2CCN(C(=O)c3cc(-c4cccc5ccccc45)[nH]n3)CC2)c1C 44838776 AMDRPFWEYWNQCP-UHFFFAOYSA-N 410.521 4.809 0 40 HJAB CN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccccc1CN(C)C1CCCCC1 57984515 KHQBVADKQQLJIE-NRFANRHFSA-N 423.557 4.755 0 40 HJAB Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 58391500 WRYMQEAEDNIEOP-INIZCTEOSA-N 423.900 4.794 0 40 HJAB CNc1nc2c(s1)[C@H](c1cccc(OC)c1OCCc1ccccc1)CC(O)=N2 61718372 YAFCNMGUDBQKBP-INIZCTEOSA-N 409.511 4.939 0 40 HJAB COc1ccc(N(C)C(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1OC 63831870 RQKVXYCEMFNGSM-UHFFFAOYSA-N 404.825 4.736 0 40 HJAB CC(C)(C)n1ncc2c1N=C1NC(=O)N(c3ccccc3)[C@H]1[C@H]2c1ccc(F)cc1 66091490 QRFAKHADZYSJMT-OALUTQOASA-N 403.461 4.551 0 40 HJAB COc1cccc(OC)c1CN1CCC[C@H]1c1cccc(Nc2ncccc2C)n1 72375503 RJBTVLTXBSWKSL-FQEVSTJZSA-N 404.514 4.883 0 40 HJAB COc1ccc(Sc2nsc(NC(=O)c3cc(-c4cccs4)on3)n2)cc1 80345373 ALNIBUQWBPZQIA-UHFFFAOYSA-N 416.509 4.667 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)CNc1cccc2c1CN(c1ccccn1)C2 89570396 PSDVJQLLLSQIRK-UHFFFAOYSA-N 422.916 4.623 0 40 HJAB Cc1cc(C)c(/C=C/S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c(C)c1 96137171 WVWSNILMEOBPTO-SDNWHVSQSA-N 412.555 4.651 0 40 HJAB COC(=O)N(C1c2ccccc2-c2ccccc21)[C@H](Cc1ccc(OC)cc1)C(=O)O 96329067 JYTPPUVGKXKUAC-JOCHJYFZSA-N 417.461 4.529 0 40 HJAB COc1ccc(C(F)(F)F)cc1N/C=C\c1nnnn1-c1ccc2ccccc2c1 104859107 FMIGUFAJGVNVRR-KHPPLWFESA-N 411.387 4.926 0 40 HJAB O=C(Nc1ccccc1)C1=Cc2ccccc2/C(=N/Nc2ccccc2Cl)C1=O 137006748 PFCKYRLMKCTACE-MEFGMAGPSA-N 401.853 4.761 0 40 HJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 222884335 UJKAJKQISUZQMG-KRWDZBQOSA-N 401.528 4.772 0 40 HJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)n1-c1cccnc1 223090253 LQHMRTPWOISNKW-XZOQPEGZSA-N 417.582 4.881 0 40 HJAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 223188951 YGFFSUAEGAIAJO-VWLOTQADSA-N 422.544 4.792 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccccc2)cc1 223299502 HBYPRJMMSBYYMQ-XLNRJJMWSA-N 404.535 4.576 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 223412619 DLVGFKJUBDYUSA-MLYOZINFSA-N 418.581 4.580 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 223814673 PEOVZHWXBRXISI-HSZRJFAPSA-N 412.549 4.790 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccc1 223967537 YOEGQALRYYEKIW-OAQYLSRUSA-N 412.486 4.508 0 40 HJAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 224002677 FUTWNIKJKBZZCK-UHFFFAOYSA-N 412.511 4.621 0 40 HJAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1ccc(C)cc1 224464641 BMTHILKMHYPHAQ-UHFFFAOYSA-N 405.494 4.911 0 40 HJAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 224598429 YXTXYNPKKLQRCK-VXKWHMMOSA-N 404.539 4.881 0 40 HJAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1cccc2ccccc12 224629289 PAECJDWZNCAZRS-NRFANRHFSA-N 405.494 4.726 0 40 HJAB COc1cc2c(cc1S(=O)(=O)N[C@@H](c1ccccc1)c1cccc(C)c1)CCCC2 225050343 OGFPQVAIXJNQMG-VWLOTQADSA-N 421.562 4.950 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C 225549376 DZNDSIXTYDXREN-QPPBQGQZSA-N 408.586 4.876 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)c1 225738314 BKEKNOKTJVRZDA-UHFFFAOYSA-N 424.547 4.529 0 40 HJAB Cc1ccc(COc2c(Cl)cc(CCc3nnc(N)o3)cc2Br)cc1 226342432 HCXVLXGZHJXQOQ-UHFFFAOYSA-N 422.710 4.740 0 40 HJAB Cc1ccccc1-c1nc2sc(=Cc3ccc(-c4ccccc4Cl)o3)c(=O)n2n1 254615863 MWXJSNYDZXSXLI-UHFFFAOYSA-N 419.893 4.588 0 40 HJAB CCCC(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(=O)NC(C)C)CC1 257343483 ZTESYGVYISCAMO-UHFFFAOYSA-N 406.570 4.830 0 40 HJAB Cc1cc(S(=O)(=O)Nc2ccccc2F)ccc1NC(=O)c1ccc(Cl)cc1 408627060 XTAHKFHKRFPFFV-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 408658865 JCPUCDUWTUNZBC-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 408706485 ZMNFSYCZDZKYCH-UHFFFAOYSA-N 402.560 4.612 0 40 HJAB CCOc1cc(Br)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1O 408902111 KGGPTXGVRKYVIE-OQLLNIDSSA-N 420.284 4.794 0 40 HJAB O=C(Nc1nc([C@@H]2CCCN2Cc2ccc(Cl)nc2)cs1)c1ccc(F)cc1 585294919 LMTWDLCGZQAZMD-KRWDZBQOSA-N 416.909 4.920 0 40 HJAB CCc1ncc(CN2CCC(c3cccc(Nc4ncc(Cl)s4)n3)CC2)cn1 643550409 GGHLEMLLDWPNMN-UHFFFAOYSA-N 414.966 4.667 0 40 HJAB O=C(Nc1cccc(O)c1)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F 675099 ZASXHAMAXCSOQW-ZFWWWQNUSA-N 408.405 4.563 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc(C)cc1 681333 XSAOEPVOMMNYDX-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB CCOc1ccc([C@@H]2Oc3ccc(Br)cc3C=C2[N+](=O)[O-])cc1OCC 718285 MLTNUTWAVASJRD-IBGZPJMESA-N 420.259 4.998 0 40 HJAB CCCN1C(=O)[C@@H](Cc2nc3ccccc3c(=O)n2-c2ccccc2)c2cc(C)ccc21 798137 GVNYBCABIUDOPO-QFIPXVFZSA-N 423.516 4.777 0 40 HJAB O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)N1CCCCCC1 890846 MIZFFEMNNLWVLJ-UHFFFAOYSA-N 413.440 4.796 0 40 HJAB Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)o1 1006108 PPRMEGHEKMYZDK-RQZCQDPDSA-N 419.886 4.896 0 40 HJAB COc1ccc(NC(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCC2)cc1 1378160 UPMUSOPVFRYEMY-UHFFFAOYSA-N 405.498 4.822 0 40 HJAB O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccc(Br)cc1 1443904 ASFPIAFMVGBLJN-UHFFFAOYSA-N 419.278 4.709 0 40 HJAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1C 1850284 LLGYPSREJMDAGM-UHFFFAOYSA-N 408.281 4.755 0 40 HJAB Cc1ccc(NC(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc23)cc1 2299964 MOHPIIKOQKTKCY-UHFFFAOYSA-N 407.477 4.776 0 40 HJAB CCCCSc1nc2nc3c(cc2c(=O)n1-c1ccc(C)cc1)COC(C)(C)C3 2313095 YFYUSNSILSQTFM-UHFFFAOYSA-N 409.555 4.833 0 40 HJAB O=Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 2631142 IDCDIQVAVSZVML-UHFFFAOYSA-N 409.825 4.740 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)c2ccc3c(c2)OCCO3)c2ccccc2)c1 3379096 PIBUBNCOTIVQKO-QHCPKHFHSA-N 417.461 4.611 0 40 HJAB CSc1ccccc1NC(=O)CN(C)C(=O)C(c1ccccc1)c1ccccc1 3407497 IFMVGFSPINSOCN-UHFFFAOYSA-N 404.535 4.638 0 40 HJAB O=C(CCSc1ccc(Cl)cc1)N1CCN(c2nc3ccccc3s2)CC1 4496591 RQFFIVYWKCZUEC-UHFFFAOYSA-N 417.987 4.781 0 40 HJAB CCCC(=O)N1c2ncnn2[C@@H](c2ccccc2OC)C[C@H]1c1ccc(Cl)cc1 4816968 NEWUKJLXTOWTEJ-RBUKOAKNSA-N 410.905 4.808 0 40 HJAB CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 4911157 FZZRORTWRRRVHV-QGZVFWFLSA-N 413.514 4.990 0 40 HJAB COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)cc1 5142424 QNGGSMAJKFVTQI-UHFFFAOYSA-N 411.433 4.825 0 40 HJAB Cc1ccc(CNC(=O)Cc2c(C)c3c(cc(C)c4c(C)c(C)oc43)oc2=O)cc1 5235706 CVIVEUDCIGUSKK-UHFFFAOYSA-N 403.478 4.940 0 40 HJAB O=C(Nc1cc(F)ccc1F)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O 5270847 DZNDTXNLMOGJRP-UHFFFAOYSA-N 409.219 4.734 0 40 HJAB Cc1c(CC(=O)NC2CC2)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 5348723 YNWQGSHTUGTJRI-UHFFFAOYSA-N 407.853 4.989 0 40 HJAB COc1ccc(Nc2nc(COC(=O)CCC(=O)c3cccs3)cs2)cc1 5709651 ZUTPRMJIWHYTML-UHFFFAOYSA-N 402.497 4.663 0 40 HJAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)C1 5990102 MTHRDAKVSAXJLF-ROUUACIJSA-N 418.566 4.802 0 40 HJAB CC(C)COc1ccc(C(=O)Nc2ccc(I)cc2F)cc1 6159666 HQBIXPHKQZIKJZ-UHFFFAOYSA-N 413.230 4.717 0 40 HJAB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c1 6543596 PPRVVFDLWWGEMF-UHFFFAOYSA-N 403.809 4.876 0 40 HJAB COCCCn1c(C)cc(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)c1C 6587142 RDQYBYSJLXPSPT-UHFFFAOYSA-N 419.934 4.820 0 40 HJAB CCOc1ccc(Nc2nc(-c3ccc(NC(=O)CCC(=O)O)cc3)cs2)cc1 6784114 ZWWSEZNMNWQAIG-UHFFFAOYSA-N 411.483 4.756 0 40 HJAB Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1Cl 7615987 QXJFYJCFQAOJFJ-UHFFFAOYSA-N 403.869 4.664 0 40 HJAB O=C(c1cnc(Cl)c(Cl)c1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 7670567 KADBOJHXRYVSAX-LBPRGKRZSA-N 408.310 4.824 0 40 HJAB COc1ccccc1/C=C/[C@H]1Nc2ccccc2C(=O)N1c1ccc2c(c1)OCO2 7884973 HFSRQINIDAQXFS-YYVWFHOOSA-N 400.434 4.536 0 40 HJAB COc1ccc2cc([C@@H](C)C(=O)NCC(=O)Nc3cccc(Cl)c3C)ccc2c1 7990638 BMHOKOSXQMUODA-CQSZACIVSA-N 410.901 4.669 0 40 HJAB O=C(O)COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2Cl)cc1 8703677 UUEWJYJPTPVFAS-OAQYLSRUSA-N 408.841 4.575 0 40 HJAB COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C2CCCCC2)cc1 9234902 XVXFHTUMCTYKSF-UHFFFAOYSA-N 404.510 4.959 0 40 HJAB O=C(Cc1ccc(Cl)cc1Cl)OCc1cc(=O)n2c(n1)sc1ccccc12 9442202 MBUXQTDEVPBVRF-UHFFFAOYSA-N 419.289 4.502 0 40 HJAB Cc1noc(C)c1COc1ccccc1C(=O)NCCCn1ccc2ccccc21 12527728 WVACOKMUXDKKFS-UHFFFAOYSA-N 403.482 4.645 0 40 HJAB Cc1nc(-c2ccco2)nc2sc(C(=O)N3CCC[C@H]3c3cccnc3)c(C)c12 12540563 MBTKYKUJNXITMU-INIZCTEOSA-N 404.495 4.940 0 40 HJAB C[C@@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1cnc2ccccc2n1 12553611 BQYJOLDIVMCAQN-KRWDZBQOSA-N 407.477 4.802 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 12602305 VCVYTUSEDNFFPK-HDICACEKSA-N 402.494 4.848 0 40 HJAB Cc1nc2c(c(C3CCN(C(=O)C4CC4)CC3)nn2Cc2ccccc2)c(C)c1C 12671123 ZKPKJOLSDGLPCZ-UHFFFAOYSA-N 402.542 4.521 0 40 HJAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1 13071118 SZXVRESIKWTLQM-UHFFFAOYSA-N 419.481 4.575 0 40 HJAB Cc1ccc(C)c(NC(=O)O[C@H](C)CNC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1 13601083 ICXMOYCZBCELQD-CKEIUWERSA-N 413.345 4.948 0 40 HJAB CC(=O)Nc1cccc(NC(=O)[C@H](C)SCc2ccc(Br)cc2)c1 16643981 NHFMMHSDEVAFTO-LBPRGKRZSA-N 407.333 4.668 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)n1C 17088595 CRBZVPKHOPPRHC-UHFFFAOYSA-N 410.543 4.557 0 40 HJAB CC(C)C(=O)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 19085512 CTSYXBUYPJBHNJ-GOSISDBHSA-N 419.504 4.783 0 40 HJAB Cc1ccc([C@H](NC(=O)CCn2nc(C(F)(F)F)cc2C)c2ccncc2)cc1C 19213536 GLPSSDLVVAJVOJ-OAQYLSRUSA-N 416.447 4.518 0 40 HJAB Cc1ccc2oc(CN[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C(C)C)c(C)c2c1 19220510 JMBUHPSKSACYBA-HSZRJFAPSA-N 402.498 4.682 0 40 HJAB Cc1ncc(-c2nc(NC(C)C)cc([C@@H]3CCCN(C(=O)CC(C)(C)C)C3)n2)s1 19287359 OWGKVTSSKFNMGZ-MRXNPFEDSA-N 415.607 4.871 0 40 HJAB CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(Cc4cccnc4NC)C3)noc2n1 19522021 QLAOTCXUIXOEOA-CYBMUJFWSA-N 419.451 4.620 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cc(-c3ccc(OC)cc3)cc(C)n2)cc1 19691346 PINMZIDYFKMGIN-RUZDIDTESA-N 416.521 4.980 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2c(-c3ccccc3)c(C)nn2-c2ccccc2)cc1 20636415 VVSAVIPWJNSJGU-UHFFFAOYSA-N 403.507 4.957 0 40 HJAB CC(C)c1ccc(-c2c3c(nc4nc(N5CCCCC5)nc(N)c24)CCCC3=O)cc1 20673567 SODDOLPTLHSNOW-UHFFFAOYSA-N 415.541 4.907 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)Cc2csc(-c3ccccn3)n2)cc1 24393140 UHTMMFOAKCPRRD-OAQYLSRUSA-N 407.539 4.900 0 40 HJAB O=C(c1cccnc1OCC(F)(F)F)N1CCC[C@H](c2nc3ccccc3s2)C1 24552505 POSNDOFXSDRPLD-ZDUSSCGKSA-N 421.444 4.652 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1ccccc1C(F)(F)F 27974762 GBZLYUQARZKOMX-LLVKDONJSA-N 402.210 4.552 0 40 HJAB Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1)C(C)C 30117236 RJGZZCRQBHNQOL-BEFAXECRSA-N 406.448 4.646 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C)cc2)cc1 30751364 DMJCZOSXVNCTRA-SFHVURJKSA-N 424.522 4.510 0 40 HJAB c1ccc(-c2nnc(-c3nnc(SCc4coc(-c5cccs5)n4)o3)o2)cc1 32922493 RNBGGEVTBBYFRM-UHFFFAOYSA-N 409.452 4.795 0 40 HJAB Cc1cccc(NC(=O)COc2ccccc2-c2noc(-c3ccc(F)cc3)n2)c1 33324992 KNJGQBMOFLZYJP-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB C[C@@H](C(=O)Nc1cccc2ccccc12)N1c2cccc3cccc(c23)S1(=O)=O 33649576 HHTITPQUNGGJSU-HNNXBMFYSA-N 402.475 4.529 0 40 HJAB COc1ccc([C@H]2CCCN2Cn2nc(-c3cccs3)c3ccccc3c2=O)cc1 40091153 QXKQTSCRICOWQO-OAQYLSRUSA-N 417.534 4.928 0 40 HJAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCNC(=O)c1ccc(F)cc1Cl 40129800 UKUYWZRAZMZAHK-UHFFFAOYSA-N 417.695 4.564 0 40 HJAB COc1ccccc1OCc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)o1 40130544 ZXTHFCJYKTWVCV-XMMPIXPASA-N 414.461 4.782 0 40 HJAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)N(Cc1ccc(F)cc1)C1CC1 40131573 WWFYLPBOFRKTDV-UHFFFAOYSA-N 413.443 4.640 0 40 HJAB COc1ccc(CN2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccccc2F)cc1 40485382 QNDBVFXZWKOFEC-HSZRJFAPSA-N 419.452 4.896 0 40 HJAB CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(C)c(C)c2)C1 44803574 GQPMOODAIHKAFT-SFHVURJKSA-N 404.514 4.500 0 40 HJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 48310218 ZLBAFLHEKNJAPR-UHFFFAOYSA-N 410.449 4.512 0 40 HJAB O=C(CSc1nccc(N2CCCC2)n1)Nc1ccc(Oc2ccccc2)cc1 49399583 DVCBIFIVBYJRSR-UHFFFAOYSA-N 406.511 4.600 0 40 HJAB COc1cccc(NC(=O)CSc2ccc(-c3nc(-c4ccccc4)no3)cn2)c1 49405472 JFZBMABTUKOYTN-UHFFFAOYSA-N 418.478 4.538 0 40 HJAB CCN(CC)C(=O)c1ccc(NC(=O)CN[C@@H](C)c2cccc3ccccc23)cc1 58159657 NGLFMHOXBZGLAD-SFHVURJKSA-N 403.526 4.611 0 40 HJAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccccc3F)o2)c1 59179631 XDOURCMLFNAKOR-UHFFFAOYSA-N 415.490 4.950 0 40 HJAB COc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1OC 67288466 HQTNXUKITRQCMT-UHFFFAOYSA-N 423.488 4.629 0 40 HJAB CC(=O)N(c1cccc(Cl)c1)c1nc(CN2CCC[C@@H]2[C@@H]2CCCN2C)cs1 89930384 UVPMWWOTYHEZMV-VQTJNVASSA-N 418.994 4.540 0 40 HJAB CCN1CCN(c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c(C)c2)CC1 89977344 VLSFYDNNMLGXCV-UHFFFAOYSA-N 406.452 4.800 0 40 HJAB Cc1cc(Br)ccc1NC(=O)[C@@H](C)n1c(-c2cccs2)n[nH]c1=S 95957174 JRUJEDOWMKBTCE-SNVBAGLBSA-N 423.361 4.940 0 40 HJAB CC(C)n1cc(C(=O)NCCCCCc2nc3ccccc3[nH]2)c2ccccc2c1=O 96223947 OFKXWMIRPHSLML-UHFFFAOYSA-N 416.525 4.602 0 40 HJAB O=c1cc(Cc2ccccc2)[nH]c2c(-c3ccccc3)c(COc3ccccc3)nn12 101375255 LNMROXGZDCEELP-UHFFFAOYSA-N 407.473 4.859 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)NCCCc2ccccc2)c(Br)c1 218883540 OIVFDPXQAZSCSG-UHFFFAOYSA-N 404.348 4.874 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1OC 222955906 GZVBATAPPHAQDA-FCHUYYIVSA-N 406.555 4.654 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 223404178 IHSARIOVQRHABH-NRFANRHFSA-N 414.977 4.913 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)cc1 223785249 VXIXEYOJYZPSNJ-OAQYLSRUSA-N 420.597 4.966 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1ccccc1Cl)[C@H](C)C(=O)NC1CCCC1 223790407 YIRMRNQSBYMLMN-GOSISDBHSA-N 412.961 4.667 0 40 HJAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2Sc2ccccc2)c1 223836844 DWRDSNVBJNPPIP-UHFFFAOYSA-N 413.520 4.734 0 40 HJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 224194830 MYPNZDDRULSPKZ-XZOQPEGZSA-N 411.534 4.753 0 40 HJAB COC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccc(-c3ccccc3)cc2)c1 224224475 TUDLFLNAMCAWDO-SFHVURJKSA-N 405.494 4.706 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 224242254 QKGIMTMJASWEDI-MRXNPFEDSA-N 421.368 4.725 0 40 HJAB CCCOCc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1OCC 224711792 GNQRYDJQYUMODZ-UHFFFAOYSA-N 410.558 4.591 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)CCc3ccc(Cl)c(Cl)c3)n2)c1 225340522 JDPXJAZUXSEXEI-UHFFFAOYSA-N 404.297 4.943 0 40 HJAB C[C@@H]1CCCN(CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)C1 225780070 RMDJRQMKYRIOFK-GOSISDBHSA-N 400.950 4.771 0 40 HJAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2cccnc12 225875963 DCJSDWJNHFRPCS-UHFFFAOYSA-N 408.473 4.848 0 40 HJAB CC[C@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OC 409223490 ZSEVRIPMCJNSJL-BGARDKSCSA-N 414.889 4.619 0 40 HJAB CCCN1C(=O)S/C(=C\c2cn(Cc3ccc(C(=O)OC)o3)c3ccccc23)C1=O 409393792 SECGEOFULNPKAQ-ODLFYWEKSA-N 424.478 4.516 0 40 HJAB COc1cccc([C@@H](CC(=O)O)NC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)c1 537371170 CRJOZGZCDNTZOD-LJQANCHMSA-N 413.470 4.817 0 40 HJAB Fc1ccccc1CN1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 585290693 UCOWINQHNMHIGB-HNNXBMFYSA-N 406.383 4.669 0 40 HJAB CC1(C)C[C@]2(CCCN2C(=O)c2cccc(C(F)(F)F)n2)CN1c1ccc(F)cc1 2037988571 WMYSBUPXFUJTEW-OAQYLSRUSA-N 421.438 4.903 0 40 HJAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1 724758 CMUQSKIJDDMZHX-UHFFFAOYSA-N 417.490 4.939 0 40 HJAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2cccc3ccccc23)o1 870509 JEGDYGQYVSMDKS-UHFFFAOYSA-N 405.479 4.841 0 40 HJAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(OC)cc1 873189 YVPHOJVCQCMAST-UHFFFAOYSA-N 418.522 4.858 0 40 HJAB Cc1cccc(-n2nc3ccc(NC(=O)c4ccc(Br)cc4)cc3n2)c1 885971 NEWURVYLGMIWEK-UHFFFAOYSA-N 407.271 4.744 0 40 HJAB CC(=O)Nc1ccc(C(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)cc1 1329370 JHDKLVQHPYAAIX-UHFFFAOYSA-N 402.479 4.558 0 40 HJAB CCOc1ccc2nc(Cl)c(CN(Cc3ccco3)C(=O)c3cnccn3)cc2c1 1367891 AMDVMKQQHJEVFG-UHFFFAOYSA-N 422.872 4.513 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCc1ccccc1 1417501 RAJHRHQYKBXQSX-UHFFFAOYSA-N 412.518 4.614 0 40 HJAB Cc1nnc(S[C@@H](C)C(=O)c2ccc(Br)cc2)n1Cc1ccccc1 2664956 RIJVUXLJEZTHMY-ZDUSSCGKSA-N 416.344 4.761 0 40 HJAB CCOc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)cc1 3012998 IAFZDGIFIHPFSK-RDJZCZTQSA-N 420.391 4.787 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 3312541 VVFYROLAPNLUIO-UHFFFAOYSA-N 412.946 4.611 0 40 HJAB Cc1c(NC(=O)CC(c2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C 3360246 MSFXNSNEVWXSLB-UHFFFAOYSA-N 411.505 4.645 0 40 HJAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1c(F)cccc1F)c1ccccc1 3390650 XZROOBYNMFQOMP-OAQYLSRUSA-N 411.404 4.900 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 3434019 HNTDYSPWJDYTRV-FQEVSTJZSA-N 415.537 4.868 0 40 HJAB CCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)s1 4036333 VQZRFCWLDLNJNL-UHFFFAOYSA-N 401.538 4.783 0 40 HJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)Nc1ccc(F)cc1F 4601951 OWRMLTDUODIEJU-UHFFFAOYSA-N 410.420 4.577 0 40 HJAB CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc(C)c1-c1ccc(Cl)cc1 4747125 NNSLQOJIFLIQGA-UHFFFAOYSA-N 420.962 4.978 0 40 HJAB CC(=O)Nc1nc2n(n1)[C@H](c1ccccc1Cl)C[C@H](c1ccc(Cl)cc1)N2 5157857 UJZBNLCNDSLHTC-SJORKVTESA-N 402.285 4.690 0 40 HJAB Clc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)c1 5515981 ZOQYDPIIIKWEMA-FCHUYYIVSA-N 413.868 4.539 0 40 HJAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nnc(Nc2ccccc2)s1 6560297 SDMACFISPDSVGL-LLVKDONJSA-N 416.494 4.563 0 40 HJAB CCCNc1c(NS(=O)(=O)c2ccc(CC(C)C)cc2)c(=O)oc2ccccc12 6914089 AAUMVWKHQJMQLP-UHFFFAOYSA-N 414.527 4.614 0 40 HJAB COc1cc(OC)c(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1Cl 7724371 WPDSPTPXYQWNAM-UHFFFAOYSA-N 415.873 5.000 0 40 HJAB COC(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1 7777279 GUTLLGALZWTURY-MRXNPFEDSA-N 409.555 4.945 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 8008043 CBNMIDZTYOMUMN-OAHLLOKOSA-N 402.494 4.772 0 40 HJAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c[nH]c12 8087990 RYCKDLCWXHOEKB-ODLFYWEKSA-N 419.506 4.714 0 40 HJAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N(Cc1ccc(F)cc1)C1CC1 8157271 NHDFYXQSIBMPRY-UHFFFAOYSA-N 412.468 4.878 0 40 HJAB COc1cc(-c2nnc(-c3ccc(C)c(Br)c3)o2)cc(OC)c1OC 8550664 FXWWNHKHIKCWSH-UHFFFAOYSA-N 405.248 4.500 0 40 HJAB O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)Nc1cccc(C(F)(F)F)c1 8608975 UMLZNGPRVMWZGG-UHFFFAOYSA-N 423.394 4.721 0 40 HJAB O=C(COc1ccc(F)cc1Br)Nc1nnc(C2CCCCC2)s1 8776761 MYLOUWNOEBGKDM-UHFFFAOYSA-N 414.300 4.505 0 40 HJAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)NCc1ccc(F)cc1 9507764 LHMGOQYOHRHNEM-UHFFFAOYSA-N 421.472 4.984 0 40 HJAB COc1cccc(-c2noc(COc3ccc(C(=O)c4ccc(F)cc4)cc3)n2)c1 9604018 MSTOLNXJGZIPDG-UHFFFAOYSA-N 404.397 4.694 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1NS(=O)(=O)c1ccccc1 10334168 SNIYBFSDSIHEJL-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1cccc(C(=O)N[C@H](C(=O)OCc2csc(-c3ccccc3)n2)C(C)C)c1 11760829 YSJAODOUHSSCGE-FQEVSTJZSA-N 408.523 4.616 0 40 HJAB CCOC(=O)Cn1c(SCCOc2ccc(Cl)c(C)c2)nc2ccccc21 12062266 YBIGVJSJWGKTOE-UHFFFAOYSA-N 404.919 4.732 0 40 HJAB Cc1cc(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3ccccn3)CC2)cs1 12088824 WOGVKYGDQDUDGA-UHFFFAOYSA-N 421.570 4.749 0 40 HJAB COc1cccc(-n2ccn(CN3CCC(C(=O)c4ccccc4)CC3)c2=S)c1 14311604 PNPJRNGCBKATKO-UHFFFAOYSA-N 407.539 4.569 0 40 HJAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 14861928 UVWGSULBTKPPCK-UHFFFAOYSA-N 412.449 4.557 0 40 HJAB Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)CCOc2ccc(Cl)cc2)o1 15449772 JXDJPGSPPZQVFT-UHFFFAOYSA-N 424.888 4.864 0 40 HJAB CCOc1ccc([C@@H]2CCCN2C(=O)COc2ccc(Br)cc2F)cc1 16141727 JBMMJVCZQHJSTQ-SFHVURJKSA-N 422.294 4.729 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)ccc1Cl 17088130 GJAQKRZBNBFBBM-UHFFFAOYSA-N 408.885 4.847 0 40 HJAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1 17963156 YPOJUMNDWYROFC-LBPRGKRZSA-N 421.353 4.726 0 40 HJAB Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)c3csc(C)c3)cc2)on1 19123918 LOTVOAZSDQJMPZ-UHFFFAOYSA-N 404.495 4.715 0 40 HJAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(Cc2cccc(C)n2)C1 19529147 QICLAFUWDZIEMD-VWLOTQADSA-N 419.594 4.689 0 40 HJAB COCc1cc(CN2CCC[C@@H](c3ccc4c(C)nn(C)c4n3)C2)ccc1OC(C)C 19742508 YXCXPUAYPZSVCG-HXUWFJFHSA-N 422.573 4.590 0 40 HJAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 20610410 WQHUSGPSLBQVGZ-OAHLLOKOSA-N 404.445 4.989 0 40 HJAB C[C@H](Oc1ccccc1)c1nc2ccccc2n1C[C@@H](O)COCc1cccs1 22081426 XBVOBIKFYNGXKR-ZWKOTPCHSA-N 408.523 4.816 0 40 HJAB CC(=O)N[C@@H](CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)c1ccc(Cl)cc1 24835561 ADVNMRGABWSBGG-NRFANRHFSA-N 424.932 4.657 0 40 HJAB COc1ccc(CC(=O)Nc2cccc(-c3noc(-c4cccc(F)c4)n3)c2)cc1 28221620 JWXBLINMIIMDGW-UHFFFAOYSA-N 403.413 4.733 0 40 HJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ncc(I)cc2C)cc1 32125440 DICISJNLXQZCNZ-LBPRGKRZSA-N 424.282 4.526 0 40 HJAB Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCc2ccc(Cl)cc2)n1C 33562493 OLINTANVHOIKLU-CQSZACIVSA-N 400.935 4.560 0 40 HJAB CC(C)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Cl)cc3)ccc2s1 46058750 CUQROYXQFSOPGW-UHFFFAOYSA-N 422.959 4.518 0 40 HJAB O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1cc2c(s1)-c1ccccc1OC2 58378194 YACHNTCGYYKKQA-UHFFFAOYSA-N 401.447 4.722 0 40 HJAB O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1ccc(Br)s1 65577454 ACJJYMXFCSYBMF-UHFFFAOYSA-N 417.781 4.970 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1)c1cccs1 72330404 FICZDQUATVLFHZ-AVRDEDQJSA-N 409.530 4.666 0 40 HJAB COc1cccc(CN(Cc2ccc(F)cc2Br)C2CCC(O)CC2)c1 83973420 BKPFPMFUQVXGPJ-UHFFFAOYSA-N 422.338 4.903 0 40 HJAB Cc1ccc(-c2csc3ncnc(OCC(=O)N[C@H](C)[C@H]4C[C@H]5CC[C@H]4C5)c23)cc1 108837850 FTDWRQXZJBSTKC-KCITZHQASA-N 421.566 4.986 0 40 HJAB CCO/C=C\C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)/C=C/OCC)cc2)cc1 142238891 VRIYNUMNLCUSBU-JRDMOELTSA-N 424.493 4.924 0 40 HJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1c(F)cccc1Cl 216251595 HVHIJCWSTJSWAZ-LJQANCHMSA-N 411.926 4.695 0 40 HJAB CCC1(CC)C[C@H](NC(=O)CN2C(=O)c3cccc4cccc2c34)c2ccccc2O1 224072383 DNFPQEMWLZHMIN-FQEVSTJZSA-N 414.505 4.999 0 40 HJAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)nc1 224156512 HLWHISPUASAFPY-GOTSBHOMSA-N 411.534 4.753 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 225009808 PMOCMZUDUTXSEP-PMACEKPBSA-N 410.558 4.521 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 225491881 HLLRRKJWBHWPGG-IERDGZPVSA-N 418.940 4.744 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)c1 225515269 FWMRKPWGCCTBTL-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB O=C(CSCc1ccc(Cl)cc1F)NCCSCc1ccccc1F 225868464 ZFOKJFJRHQYRJE-UHFFFAOYSA-N 401.931 4.901 0 40 HJAB CC(C)(C)OC(=O)N1CCC(c2cccc(N3CC4(CCCCC4)OC3=O)n2)CC1 257207195 BGTHXZMRIAJKNY-UHFFFAOYSA-N 415.534 4.856 0 40 HJAB CCCCC[C@]1(O)CCN(CC(=O)Nc2cc(C)ccc2C)C[C@@H]1Oc1ccccc1 257215343 CPRPQUDKZKOVIP-AHWVRZQESA-N 424.585 4.707 0 40 HJAB O=C(COc1cccc(F)c1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257235672 GYWFTDPVOPSWEL-FQEVSTJZSA-N 414.864 4.800 0 40 HJAB CCOc1ccc(NC(=O)Cn2cc(C(=O)C(F)(F)F)c3cccc(CC)c32)cc1 409204714 JOUMHQJSJJNESG-UHFFFAOYSA-N 418.415 4.986 0 40 HJAB COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 409380492 FPCYAYNCGIBLGW-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@H](O)c1ccc(-c2ccco2)s1 1775969143 YZKLRRPDMQDCEF-HNNXBMFYSA-N 405.903 4.669 0 40 HJAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccnc3Cl)c2C(N)=O)C1 671540 GOSUHGZTTZFWTE-NSHDSACASA-N 405.951 4.689 0 40 HJAB O=C(Nc1ccc(F)cc1F)[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl 706619 RGVBSWONSNTLDM-GHMZBOCLSA-N 424.658 4.914 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1 873634 FXJHQDIOACLWHR-GFCCVEGCSA-N 418.316 4.927 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3)n2-c2ccccc2)c1 997559 MFIDPLPIBAUBTB-UHFFFAOYSA-N 400.507 4.974 0 40 HJAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCCC1=CCCCC1 2094167 HTMLFEANMCEYET-UHFFFAOYSA-N 403.478 4.846 0 40 HJAB biogenic Cc1ccc(-n2c(SCC(=O)N3CCCC[C@H]3C)nnc2-c2ccccc2)cc1 2653707 LIFPADDCYPGDGN-GOSISDBHSA-N 406.555 4.736 0 40 HJAB CC(=O)[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 2655041 LOKYUZYBROAKTI-AWEZNQCLSA-N 413.688 4.819 0 40 HJAB COc1cc(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc(OC)c1OC 2961255 GVLLVKPGVXPYQS-UHFFFAOYSA-N 421.478 4.636 0 40 HJAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)N[C@H]1CCCc2ccccc21 3297068 VYMPJLLGPZDTFU-KRWDZBQOSA-N 402.281 4.509 0 40 HJAB Cc1ccccc1Nc1nnc(SCC(=O)NCc2ccccc2Cl)s1 3302670 NLABFZDQCKTETA-UHFFFAOYSA-N 404.948 4.652 0 40 HJAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)c2O1 3451876 QTYGCMRHXTUUAS-UHFFFAOYSA-N 419.506 4.794 0 40 HJAB C[C@@H](NC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 4588136 VBDCJUGKEMKKLI-LJQANCHMSA-N 402.494 4.862 0 40 HJAB C=C/C(OC)=C(\C=C(/C)Cl)N(C(=O)NCc1ccccc1)C1=NCCCS1 4966986 YJXSKPHZOKFXAA-CELSGOLJSA-N 405.951 4.878 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(F)cc1F)c1ccccc1 6354495 AVVNHESIACSNFI-OAQYLSRUSA-N 411.404 4.819 0 40 HJAB Cc1cc(NC(=O)COCc2cc(-c3cccs3)on2)ccc1Br 6876563 QWIPPZZCAUYVPA-UHFFFAOYSA-N 407.289 4.629 0 40 HJAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1C(F)(F)F 6887245 XDFYBLRKLTXEGK-UHFFFAOYSA-N 410.779 4.565 0 40 HJAB COc1ccccc1Nc1nc2ccc(C(=O)c3ccccc3)cc2n2c(C)nnc12 6901713 LHMHKVOOLNETAI-UHFFFAOYSA-N 409.449 4.569 0 40 HJAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3Cl)c2C1 6943515 CZVLQHYUZMSCCQ-AWEZNQCLSA-N 408.885 4.809 0 40 HJAB CCOc1ccccc1NC(=O)[C@H](Nc1cccc(NC(C)=O)c1)c1ccccc1 7224500 IOKFMKKKNNAMCR-HSZRJFAPSA-N 403.482 4.836 0 40 HJAB COc1ccc(CCC(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1 9135345 FNNVTMFLAMILOC-UHFFFAOYSA-N 416.477 4.957 0 40 HJAB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)S(=O)(=O)c2ccccc2)cc1 9488555 OJZNGEDWNLEIAZ-UHFFFAOYSA-N 418.518 4.540 0 40 HJAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2nc(-c3cccnc3)cs2)cc1 9798805 DUOJWESXNBNDTB-UHFFFAOYSA-N 420.494 4.570 0 40 HJAB Cc1c(Cl)c(CSc2nnc(NC[C@@H]3CCCO3)s2)nc2ccccc12 9949693 ADAMFMDFILUAOE-LBPRGKRZSA-N 406.964 4.931 0 40 HJAB COc1ccc(SCC(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 10219205 DLGCYGDMGXMOMI-UHFFFAOYSA-N 401.538 4.954 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4ccccc4F)ccc32)cc1 10220761 XJJHNHPQRPWZFV-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB Cn1ccnc1[C@H](NC(=O)NCC(c1ccccc1)c1ccccc1)c1ccccc1 12530293 NBNAQIKCJBYXIM-XMMPIXPASA-N 410.521 4.641 0 40 HJAB Cc1c(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)oc2c(Cl)cccc12 12734078 GQQRFFSIJSVLSZ-UHFFFAOYSA-N 402.922 4.649 0 40 HJAB O=C(Nc1nnc(-c2ccco2)s1)c1csc(COc2ccc(Cl)cc2)n1 12788905 YBHHBDNLUMNGAC-UHFFFAOYSA-N 418.887 4.739 0 40 HJAB CCc1ccc([C@H](Nc2ccc3nnc(C(F)(F)F)n3n2)c2cccs2)cc1 12873858 LMSAIXDGSZWEQC-KRWDZBQOSA-N 403.433 4.969 0 40 HJAB CCc1cccc(CC)c1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 12879148 RDRRRGTVZJLDLZ-UHFFFAOYSA-N 423.563 4.950 0 40 HJAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Br)cc1Br 13098819 VVVKSADXZOPGHG-UHFFFAOYSA-N 419.500 4.883 0 40 HJAB Cc1ccccc1OCC(=O)Nc1c(NC2CCCCC2)c2ccccc2oc1=O 13364912 HQVMDVFLOWQGEP-UHFFFAOYSA-N 406.482 4.864 0 40 HJAB CCc1ccc([C@H](NC(=O)c2ccc3c(c2)nnn3CC)c2cccc(F)c2)cc1 14632855 CMCIFZMCLRVEBN-QHCPKHFHSA-N 402.473 4.672 0 40 HJAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc4ccccc4c3)sc2c1 16321496 DLCVSGISBWKQAZ-UHFFFAOYSA-N 420.519 4.535 0 40 HJAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc2c(O)cccc12 17082437 CGFFXKYEGUQMTM-UHFFFAOYSA-N 402.475 4.834 0 40 HJAB CC1(C)C[C@H](NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)c2ccccc2O1 19715348 ZCVLWUBJYTUPLS-INIZCTEOSA-N 412.440 4.577 0 40 HJAB Cc1cc(NC(=O)Cc2ccc(Br)cc2)ccc1-c1ccc(CO)o1 20137214 QJBHECFLNNDMIA-UHFFFAOYSA-N 400.272 4.691 0 40 HJAB CCCCCn1c(=N)n(C[C@H](O)COc2ccc(Cl)cc2Cl)c2ccccc21 20292130 OKHXCSNDBMDGFZ-INIZCTEOSA-N 422.356 4.859 0 40 HJAB O=C(COc1ccc(Br)cc1)Nc1ccc(N2CCCCC2)c(F)c1 21576398 YJZFPXGWYIVBTP-UHFFFAOYSA-N 407.283 4.596 0 40 HJAB COc1ccccc1OCCCCn1c([C@H]2CCCN2C(C)=O)nc2ccccc21 21787462 ARSQANOVIXCKTB-OAQYLSRUSA-N 407.514 4.588 0 40 HJAB CC(C)CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22257136 UXEUPTVWIPKMEO-UHFFFAOYSA-N 419.572 4.768 0 40 HJAB CC(=O)c1ccccc1OCC[S@@](=O)Cc1coc(-c2ccc(Cl)cc2)n1 24830328 PXFPUYGNTFSKAR-MHZLTWQESA-N 403.887 4.525 0 40 HJAB C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)c1nc(C(C)(C)C)no1 31688943 LFKRRYCRQYSQFE-CQSZACIVSA-N 406.515 4.863 0 40 HJAB COc1ccc(-c2nn3c(c2C)N=C(O)C[C@H]3C(=O)Nc2ccccc2Cl)cc1 32074644 VPTFROOYCKTPHW-KRWDZBQOSA-N 410.861 4.692 0 40 HJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1cccc(Br)c1)CC(O)=N2 32100407 QBUZTXRDGXVNMC-LBPRGKRZSA-N 418.682 4.510 0 40 HJAB Cc1nc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)ccc2o1 40079761 QLPVNTKZBAVIJR-QGZVFWFLSA-N 418.280 4.686 0 40 HJAB CC[C@H](NC(=O)CCc1nc(Cc2ccccc2)no1)C12CC3CC(CC(C3)C1)C2 40133621 UDYQYTNAYRQNGD-OOTRUBSTSA-N 407.558 4.704 0 40 HJAB CC(C)c1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)nn1C(C)(C)C 40140339 LDOUMKUJZHVMMW-UHFFFAOYSA-N 420.561 4.999 0 40 HJAB CC(C)(C)c1nc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)no1 46587842 PGGQVHNVVFERIB-UHFFFAOYSA-N 405.527 4.831 0 40 HJAB O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1cccc(F)c1 57243092 XIDICTIRPMENSV-UHFFFAOYSA-N 407.464 4.539 0 40 HJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(OC)c(OC)c1)CO3 58088663 IGLAVPAHUABJBT-UHFFFAOYSA-N 423.509 4.813 0 40 HJAB biogenic COc1cc(C2SCCS2)ccc1OC(=O)Cc1c(C)nn(C(F)F)c1C 65488611 IWZQOGAMEDWLSD-UHFFFAOYSA-N 414.499 4.530 0 40 HJAB CCOc1ccc(CN2CCC[C@@H]2c2ccc(Nc3cccc(C)n3)cn2)cc1CO 72353204 SBXGEVZEQWFCDI-HSZRJFAPSA-N 418.541 4.757 0 40 HJAB COc1ccc(C)cc1CN1CCC([C@@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 72391123 CVPFYPKQMVNGKF-HSZRJFAPSA-N 409.574 4.514 0 40 HJAB O=C(Cc1ccsc1)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 72393388 VAZVBXLTBLWMQG-UHFFFAOYSA-N 402.991 4.647 0 40 HJAB CCOc1ccc2ccccc2c1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 95348681 ZRIHDJKALVVFLC-RTBURBONSA-N 405.542 4.537 0 40 HJAB COc1ccc(N/C=C2/C(=O)N(c3ccccc3C)C(=O)c3cc(OC)ccc32)cc1 97831254 XJBPIUBVPWTYOH-PXLXIMEGSA-N 414.461 4.652 0 40 HJAB COc1ccc(OC)c(N/C=C2/C(=O)N(c3cccc(C)c3)C(=O)c3ccccc32)c1 97840669 UZBGIHMQFCXKDC-RCCKNPSSSA-N 414.461 4.652 0 40 HJAB O=S(=O)(Nc1ccccc1Cl)c1ccc(Br)c(C(F)(F)F)c1 98072874 NLBRMXBHYFRXAJ-UHFFFAOYSA-N 414.630 4.922 0 40 HJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222795807 DNGMLLQNJQLVPL-OALUTQOASA-N 416.472 4.884 0 40 HJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 222918556 SLDPBQOZYDMNJL-OAQYLSRUSA-N 401.915 4.725 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1Cc1ccncc1 223491486 AIAPOKHUOGAODC-VXKWHMMOSA-N 403.555 4.566 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(CC)cc1 223735906 BVSRRTUOAKTHOY-XMMPIXPASA-N 424.585 4.660 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223916569 QOOMGBDIVZAKHV-UHFFFAOYSA-N 420.412 4.759 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)cc1 224124094 WDUOXUZSMUKEEI-IBGZPJMESA-N 422.550 4.620 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 225125933 LNSIBVCYQZPXDV-RTBURBONSA-N 414.977 4.913 0 40 HJAB Cc1cc(O)c(C2=Nc3ccccc3N[C@@H](c3ccc(OC(F)F)cc3)C2)c(=O)o1 227173281 IGORFQMYNGLKMT-QGZVFWFLSA-N 412.392 4.933 0 40 HJAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccnc(OCC2CCOCC2)c1 244975247 IHXJMWOHAZSJNT-UHFFFAOYSA-N 400.478 4.711 0 40 HJAB COc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1F 394411165 VCGLZNBVIKFPCC-UHFFFAOYSA-N 403.045 4.612 0 40 HJAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 408670465 QFONJXNNOQJMCM-LLVKDONJSA-N 416.688 4.904 0 40 HJAB COc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 408919027 RUCGXIPLGDPXPD-LDADJPATSA-N 411.479 4.536 0 40 HJAB CCOC(=O)N[C@H](CC(=O)Nc1nc(-c2ccccc2)c(C)s1)c1ccccc1 408979323 MMDIJTUTVKWPIG-GOSISDBHSA-N 409.511 4.935 0 40 HJAB CCCNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 409132797 LAXLWLCSDSHDQP-UHFFFAOYSA-N 422.550 4.530 0 40 HJAB Cc1cc2nc3s/c(=C\c4ccccc4OCc4ccccc4)c(=O)n3c2cc1C 409394105 VSZYJDWQPFZRHQ-UCQKPKSFSA-N 412.514 4.653 0 40 HJAB O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 523452458 OIQIWZQOELRNRF-AWEZNQCLSA-N 410.367 4.851 0 40 HJAB O=C(CSCc1ccccc1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 575614663 AHBBPAXRDFFPQG-UHFFFAOYSA-N 420.582 4.650 0 40 HJAB O=C(N[C](Cc1ccc(F)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1560408661 KEGJDAQTBVFGCH-UHFFFAOYSA-N 404.417 4.523 0 40 HJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3ccccc3OC)CC2)n1 1848357488 UCSIUDWOCKXWGW-UHFFFAOYSA-N 405.498 4.636 0 40 HJAB CCc1ccc(-c2nc(NC(=S)NC(=O)c3ccc(OC)cc3)sc2C)cc1 653859 PPTHLDCHUPIMQR-UHFFFAOYSA-N 411.552 4.816 0 40 HJAB COc1ccc(CCC(=O)N(c2nnc(-c3ccncc3)s2)C2CCCC2)cc1 1345667 QXBJYLKULPKHTI-UHFFFAOYSA-N 408.527 4.517 0 40 HJAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3Br)c(Cl)cc12 2252956 NGAKQTLJVPPVEZ-UHFFFAOYSA-N 422.662 4.535 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1C 2328450 UFPLIFMVLLHXLJ-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB COc1ccc(-c2nnc(SCc3ccc(Br)cc3)n2C)cc1OC 2337653 HLFJOLZGFUSPFO-UHFFFAOYSA-N 420.332 4.554 0 40 HJAB COc1cc(NC(=O)c2cc(C)cc(C)c2)c(OC)cc1NC(=O)c1ccccc1 2635739 VFATYYVLNCQPPT-UHFFFAOYSA-N 404.466 4.825 0 40 HJAB O=C(Nn1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O)c1ccccc1 2971451 WQCWTTUTXKIQKL-UHFFFAOYSA-N 421.909 4.726 0 40 HJAB CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCCOC 4028159 SVIXFVXVFZFGKC-CPLSZTBBSA-N 409.611 4.572 0 40 HJAB biogenic COc1ccccc1-c1csc(NC(=O)c2ccc(Br)cc2F)n1 4070176 YOFIOJVNUNFAAD-UHFFFAOYSA-N 407.264 4.973 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccccc1C 4679831 QQEXLNWWSFGGEI-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(C)cc2C)cc1 5219358 MKTCJRDZURCFKV-ZSQFBXSQSA-N 422.569 4.619 0 40 HJAB Cc1cc2nnc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)n2c2ccccc12 5278236 DAXOWGOKZRUHMU-OAQYLSRUSA-N 402.523 4.647 0 40 HJAB Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CNCCCO 5614873 ZGOJBJQCHZHYDJ-HSZRJFAPSA-N 414.549 4.617 0 40 HJAB CSc1ncccc1C(=O)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 6084307 JLYOESPDWXFFIC-QFIPXVFZSA-N 411.454 4.907 0 40 HJAB Cc1c(F)cccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 6418114 GHXJADMFUPEWQL-OXJNMPFZSA-N 416.493 4.571 0 40 HJAB CCCCOC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1 6606160 RIQMLJFEKVXYLO-UHFFFAOYSA-N 411.527 4.687 0 40 HJAB CC(=O)N(c1ccccc1)c1nc(CSc2nncn2-c2ccccc2)cs1 6610464 FHVWAZXGECBKGQ-UHFFFAOYSA-N 407.524 4.701 0 40 HJAB CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 6623206 ZHZJPOBDGNOTHH-UHFFFAOYSA-N 402.560 4.575 0 40 HJAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)Cc2ccc(Cl)cc2)cc1 6630390 SFGSVWYIXSBXRH-UHFFFAOYSA-N 408.885 4.688 0 40 HJAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)NC(c1ccccc1)c1ccccc1 6788754 MLKRMJYNURLEOF-UHFFFAOYSA-N 415.823 4.681 0 40 HJAB CCOc1cc2c(cc1[C@H]1Nc3ccccc3C(=O)N1Cc1ccco1)O[C@H](C)C2 7112957 HCFKAGUULIOCIM-CMJOXMDJSA-N 404.466 4.768 0 40 HJAB CCc1nnc(S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)O)[nH]1 7342426 SMKKCRWRSPUACI-BOPFTXTBSA-N 415.902 4.817 0 40 HJAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 7724259 DUSMAGYTRLDIEN-KRWDZBQOSA-N 420.534 4.641 0 40 HJAB O=C(Nc1cccc(CO)c1)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 8039243 PSSGCTAWZBSYCF-UHFFFAOYSA-N 403.869 4.937 0 40 HJAB COc1ccc(NC(=O)c2ccc(CSc3nnc4n3CCCCC4)cc2)cc1 8262693 PGLPEERYQMBTAI-UHFFFAOYSA-N 408.527 4.558 0 40 HJAB CN(C(=O)COc1ccccc1C(=O)Nc1ccccc1)[C@@H]1CCCc2ccccc21 8271613 FOEVUXWZAQDJLT-HSZRJFAPSA-N 414.505 4.854 0 40 HJAB C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1nc(-c2ccccc2)cs1 9256148 VBXOOPRIRGGUMP-AWEZNQCLSA-N 422.535 4.903 0 40 HJAB O=C(CNc1nc(-c2cccs2)nc2ccccc12)Nc1ccc(F)c(F)c1F 9439682 OGCUXNNHPABUSY-UHFFFAOYSA-N 414.412 4.826 0 40 HJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCC[C@H]1c1nc2ccccc2s1 9446803 UMBOMLPYTAHMLS-KRWDZBQOSA-N 422.485 4.782 0 40 HJAB CC(C)[C@@H](NC(=O)N(C)CCOc1ccccc1Cl)c1ccc2c(c1)OCCO2 9792145 DOUJSXCMDLNDMV-OAQYLSRUSA-N 418.921 4.529 0 40 HJAB COc1cc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc(OC)c1OC 10120036 XPIHVCQBUHHABB-UHFFFAOYSA-N 418.449 4.697 0 40 HJAB COc1ccc2oc(-c3csc(NC(=O)c4cccc(OC)c4OC)n3)cc2c1 10883504 YNGSVJMJLSWAOL-UHFFFAOYSA-N 410.451 4.834 0 40 HJAB O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc(-c2ccccc2)cc1 12329399 XSZJQOXYYOOJBR-JWQCQUIFSA-N 415.533 4.738 0 40 HJAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)NCc3ccco3)s2)cc1Cl 12777088 GMFYPBCGLVJACA-LLVKDONJSA-N 408.936 4.634 0 40 HJAB Cc1ccc(SCCSc2nnc(-c3ccccc3Br)n2N)cc1 13134055 MWBAEWVBXHDTTI-UHFFFAOYSA-N 421.389 4.614 0 40 HJAB O=c1cc(COc2ncnc3ccc(Br)cc23)c2cc3c(cc2o1)CCC3 13149608 JOBZJXQRRZZFSM-UHFFFAOYSA-N 423.266 4.566 0 40 HJAB COc1cccc(NC(=O)[C@@H](Sc2nnc(-c3ccco3)n2C)c2ccccc2)c1 13165376 PTZHNCBZBJLKBG-IBGZPJMESA-N 420.494 4.556 0 40 HJAB CC(C)(C)OC(=O)CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 13987819 BCWGACDLYYGJQX-UHFFFAOYSA-N 400.544 4.721 0 40 HJAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(Cc2nc3ccccc3s2)CC1 14200027 HGEMKHGXOLLFOQ-UHFFFAOYSA-N 421.497 4.653 0 40 HJAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 14404554 XOEWPAWVDQIETH-UHFFFAOYSA-N 403.269 4.838 0 40 HJAB O=C1c2cccc3cccc(c23)C(=O)N1CCCC(=O)N1CCC[C@@H]1c1cccs1 14629042 ZEYKCARDDCYGPE-LJQANCHMSA-N 418.518 4.641 0 40 HJAB C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)c1ccc(F)c(F)c1 14703704 UYNNGSXEBVEDGB-SNVBAGLBSA-N 411.524 4.896 0 40 HJAB Cc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc(C)c1OC(F)F 15504083 VITBPLWWCAQDRO-UZLBHIALSA-N 402.441 4.650 0 40 HJAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCC(=O)c1ccc2c(c1)OCO2 17956067 YYNLDLLWWQZJCR-UHFFFAOYSA-N 415.854 4.540 0 40 HJAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3cc(C(C)C)n[nH]3)c2)cc1 19691075 HDHAONAMKAEIBK-QHCPKHFHSA-N 404.514 4.889 0 40 HJAB CCCCOC(=O)c1ccc2nc(NC(=O)COc3ccccc3Cl)sc2c1 20411542 VVCRHECLWCFFMT-UHFFFAOYSA-N 418.902 4.924 0 40 HJAB CC(/C=N/NC(=O)COc1ccc(Cl)cc1Br)=C\c1ccccc1 21964344 BNKFKJIBFCVSEM-WKOSEXDDSA-N 407.695 4.687 0 40 HJAB Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCCCC2)cc1 27581697 FAUCDLMJJUDHNN-QFIPXVFZSA-N 400.950 4.679 0 40 HJAB Cc1ccc(NC(=O)Nc2nn(Cc3ccccc3F)cc2Br)cc1 28579571 QGIFOFKVSUIKHY-UHFFFAOYSA-N 403.255 4.785 0 40 HJAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nc4ccccc4n3C(F)F)ccc21 31782054 PAMUXXLBNSOPDU-LBPRGKRZSA-N 415.465 4.704 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2cccs2)C1 32988696 CVIGMCQVVALQMI-AEFFLSMTSA-N 402.947 4.617 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 33088672 QJAFAIPZPUQTOT-UHFFFAOYSA-N 412.898 4.706 0 40 HJAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2nc(Cl)ccc2c1 36394873 PNYWOYOBSWFRAZ-UHFFFAOYSA-N 414.336 4.936 0 40 HJAB CCn1ccc(-c2cc(C(=O)N3CCC[C@@H](C)C3)c3c(-c4ccccc4)noc3n2)n1 36618398 SJULROJSOKXYEG-MRXNPFEDSA-N 415.497 4.645 0 40 HJAB CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)[nH]2)C(=O)O)o1 38276171 SRVUNQGYXLXRST-PTNGSMBKSA-N 418.906 4.782 0 40 HJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 38771712 DZKLVDRUEJEOAK-OPATVPMHSA-N 414.549 4.855 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)Cc2cccc(Cl)c2)cc1 40113079 NBWXHCTXRUUQPN-OAHLLOKOSA-N 414.962 4.707 0 40 HJAB CCc1cccc(C)c1NC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 40134477 BQMCULOVULRYNV-UHFFFAOYSA-N 416.447 4.955 0 40 HJAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cccn1Cc1cccs1 40157482 RPDQPYDLVLKYJP-OAQYLSRUSA-N 416.550 4.650 0 40 HJAB CCc1nn2c(ncc3c(=O)n(Cc4ccccc4Cl)ccc32)c1-c1ccccc1 40387838 KGCMIXHDYMBFPF-UHFFFAOYSA-N 414.896 4.975 0 40 HJAB Cc1cc(NC(=O)c2cc(F)c(Cl)cc2Cl)ccc1NC(=O)Cn1cccn1 48373868 BLGSQXYKXVTMTA-UHFFFAOYSA-N 421.259 4.528 0 40 HJAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(c2ccccc2F)CC1 57024337 DAEQHSDUMWCNRZ-IBGZPJMESA-N 403.501 4.642 0 40 HJAB C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 57994965 MYRNJIQMNYQWDR-AAEUAGOBSA-N 415.342 4.563 0 40 HJAB C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 57994968 MYRNJIQMNYQWDR-YPMHNXCESA-N 415.342 4.563 0 40 HJAB O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1cnc(-c2ccccc2)nc1 58426907 GMPRWHBAGBVJJW-UHFFFAOYSA-N 410.930 4.603 0 40 HJAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)c1 59227345 ANXHQTSAKAGVKI-ZDUSSCGKSA-N 410.823 4.967 0 40 HJAB Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3ccc(F)cc3)c(=O)c12 67260393 XYBHMVRYOXTGOA-UHFFFAOYSA-N 424.482 4.732 0 40 HJAB CCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(N[C@H](C)C(C)C)c2C)cc1C 72304066 GODUUXYOHGDTFZ-QGZVFWFLSA-N 417.575 4.774 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(Cc3ccccc3)n2)cc1 72357888 VDXQFWYSTROZKZ-RUZDIDTESA-N 400.522 4.977 0 40 HJAB CCOc1ccc(-c2nc(CC(=O)N3CCC[C@H]3[C@@H]3CCCCC3=O)cs2)cc1 79056498 VGDSXDPEBJTCEJ-PMACEKPBSA-N 412.555 4.502 0 40 HJAB CCOc1cccc2sc(NS(=O)(=O)c3ccc(OC)c(C(C)(C)C)c3)nc12 141522740 USEVDSLGGUNHPU-UHFFFAOYSA-N 420.556 4.802 0 40 HJAB CCOc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1Cl 222646019 XOVYOCYUGZSXJP-UHFFFAOYSA-N 412.839 4.720 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccco2)c1C 222955389 RZPBBOXNYOZNCE-FCHUYYIVSA-N 408.571 4.914 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 223163706 ZZFQLDHLRJAXHV-QHCPKHFHSA-N 424.585 4.876 0 40 HJAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 223852238 TUSGCCXWPSTTAG-VXKWHMMOSA-N 404.539 4.881 0 40 HJAB Cc1c(Br)cnc(NC(=S)NCc2ccc(Cl)cc2)c1Cl 223929067 TVEZXQCLKWYEML-UHFFFAOYSA-N 405.148 4.946 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C 224153229 AOLHDPLHMKTUAD-QHCPKHFHSA-N 422.569 4.548 0 40 HJAB Cc1ccccc1[C@@H](C)NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224301620 OFGBSBGBTJDAJH-LJQANCHMSA-N 422.550 4.620 0 40 HJAB COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)CCCC2 224985010 WDGPOIXYAXSPDP-MRXNPFEDSA-N 401.572 4.911 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCSCc2ccccc2F)c1C 225413463 KFHWGGJDMSKIEM-UHFFFAOYSA-N 406.548 4.531 0 40 HJAB C[C@H](CCc1ccccc1)NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225805854 SSEDCBYFDCGZAW-OAHLLOKOSA-N 417.431 4.826 0 40 HJAB CC1(C(=O)Nc2ccc(OC3CSC3)cc2)COC(c2ccc(Cl)cc2)OC1 225919518 TVMKDQMRDJGBAI-UHFFFAOYSA-N 419.930 4.525 0 40 HJAB CC(C)(C)OC(=O)N(COCC[Si](C)(C)C)c1ncc(Br)s1 396164267 MLNBOWYMQDLFDV-UHFFFAOYSA-N 409.422 4.959 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)c(C)c1 408643850 RYIJXFULKGDZSJ-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(O)/C=C/c1ccccc1)c1ccccc1 1547139789 WCUFFTSGLBHWQV-BZBOJQQWSA-N 422.569 4.791 0 40 HJAB CC(C)(C)c1nc(SCC(=O)Nc2nc3c(s2)CCCC3)c2ccccc2n1 1342514 OLWIOBBJLBPIJD-UHFFFAOYSA-N 412.584 4.993 0 40 HJAB aggregator C[C@@H](NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccccc1 3366232 INDVMLDTRLSURH-CQSZACIVSA-N 407.470 4.754 0 40 HJAB C[C@@H](c1nnc(SCC(=O)c2ccc(F)cc2)n1-c1ccc(Cl)cc1)N(C)C 3376561 KDVJWHSZIAAVNW-ZDUSSCGKSA-N 418.925 4.657 0 40 HJAB CCN(C(=O)COC(=O)c1ccc(Br)cc1)c1cccc2ccccc12 3417161 OGYLOZWAOMVFPD-UHFFFAOYSA-N 412.283 4.812 0 40 HJAB NC(=O)c1c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2c1CCCCC2 4134722 FTQQULVNFUBTOY-UHFFFAOYSA-N 418.518 4.599 0 40 HJAB Cc1ccc(N2C(=O)C[C@@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1F 4889957 AEXSWACXIBOWLT-MIFWMJNYSA-N 406.501 4.772 0 40 HJAB CCOC(=O)c1c(NC(=S)Nc2ccc(OC(F)F)cc2)sc2c1CCC2 5092023 YKQITFCVOBSYGK-UHFFFAOYSA-N 412.483 4.824 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)O 6034042 GLEHQHJDURSEEE-UHFFFAOYSA-N 408.841 4.851 0 40 HJAB CCOC(=O)c1c(CNc2ccccc2)n(C)c2cc(Br)c(OC)cc12 6709911 AVESELKMQJFZJL-UHFFFAOYSA-N 417.303 4.738 0 40 HJAB COc1ccc(-c2c(C)oc3cc(OCCN4CCCCC4)ccc3c2=O)cc1OC 6759214 QWMWBRNZQVDFOC-UHFFFAOYSA-N 423.509 4.650 0 40 HJAB biogenic COc1cccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)c1 8959284 IPTKTLPRLUEIED-UHFFFAOYSA-N 410.514 4.745 0 40 HJAB Cc1c(C)n(-c2nc3ccccc3s2)c2ncn3nc(-c4ccccc4O)nc3c12 9418393 HJAKRHZFIOABJW-UHFFFAOYSA-N 412.478 4.667 0 40 HJAB Cc1oc2cc(OCC(=O)Nc3cccc(O)c3)ccc2c(=O)c1Oc1ccccc1 9481147 ABUKSUXILOTKBT-UHFFFAOYSA-N 417.417 4.617 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccc(Cl)cc1 9499295 WCMYKDBFJPBZBH-UHFFFAOYSA-N 424.913 4.971 0 40 HJAB CN(Cc1ccsc1)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 9866551 MMTXZTIKMGPJSS-UHFFFAOYSA-N 423.567 4.574 0 40 HJAB Cc1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccccc3)CC2)c(Br)c1 9987895 KEMWKAINRMMSPR-MDZDMXLPSA-N 412.327 4.892 0 40 HJAB O=C(c1ccccc1Br)N1CCN(c2cc(Cl)ccc2Cl)CC1 10386816 SKCMWVCJEXBABA-UHFFFAOYSA-N 414.130 4.718 0 40 HJAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cn2cncn2)cc1 10391451 ARZOYISVWSXNBI-UHFFFAOYSA-N 414.309 4.616 0 40 HJAB Cc1ccc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)c(Br)c1 11052574 NXKVFJKWLCGVFO-ZDUSSCGKSA-N 402.288 4.773 0 40 HJAB Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 11689936 YJLFFQJQRNLWHQ-UHFFFAOYSA-N 413.412 4.775 0 40 HJAB Cc1cc(C)c([C@H](C)NC(=O)CSc2nnc(-c3ccccc3C)n2C)cc1C 12769287 PYLLEVTXVSYLLG-SFHVURJKSA-N 408.571 4.685 0 40 HJAB CC(C)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 13679546 HOZSZMYFVVSQBB-UHFFFAOYSA-N 400.525 4.925 0 40 HJAB COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1ccccc1 13923963 AAJOKLSUXNVHML-ZHZULCJRSA-N 413.429 4.567 0 40 HJAB C[C@@H]1CC2(CCCC2)N2C(=O)[C@]3(NCCc4c3[nH]c3ccccc43)c3cc(F)cc1c32 14162435 NIYJZVRPYNEMJD-WZQKQDCOSA-N 415.512 4.863 0 40 HJAB biogenic COc1ccc(CN(C)Cn2nc(-c3cccs3)n(C3CC3)c2=S)cc1OC 14185619 ABHIGQBYOCQWRW-UHFFFAOYSA-N 416.572 4.584 0 40 HJAB Cc1ccc(N2CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)C[C@H]2C)cc1 14216424 HJEZVWPMELFVSJ-QGZVFWFLSA-N 407.539 4.558 0 40 HJAB COc1ccc(C(=O)N2CCn3c4c(c5cc(C)ccc53)CCC[C@H]42)c(OC)c1OC 15084164 XJLXITFUCTXJBU-HXUWFJFHSA-N 420.509 4.509 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1(c2ccccc2)CCOCC1 16968841 RCZQXUFQKQORPS-UHFFFAOYSA-N 410.901 4.782 0 40 HJAB Cc1ccc(-c2cc3c(SCC(=O)Nc4cc(F)ccc4F)nccn3n2)cc1 17051549 YRBAJFDMWNITQM-UHFFFAOYSA-N 410.449 4.714 0 40 HJAB O=c1[nH]c(SCc2ccccc2)nc2sc3c(c12)CCN(Cc1ccccc1)C3 19926526 HVSOFKPFFGMYOR-UHFFFAOYSA-N 419.575 4.835 0 40 HJAB CC[C@H](NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(C)cc1 20039777 HCJFJOVIPDCOOA-FQEVSTJZSA-N 422.550 4.705 0 40 HJAB CCCCCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 20171388 FLHGSLJSHDAQBN-UHFFFAOYSA-N 411.575 4.557 0 40 HJAB C[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(F)cc1 20491604 PNYRWQQPRYWRER-NPMXOYFQSA-N 424.497 4.684 0 40 HJAB CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c1 21006617 LQXLMSFOGQCMCL-UHFFFAOYSA-N 413.495 4.509 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)c1 21975482 MMCQYYBWBHUZOQ-UHFFFAOYSA-N 414.845 4.547 0 40 HJAB CCN(C(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1cccc(Br)c1 27678789 NYHBQQYJRBPTSU-UHFFFAOYSA-N 412.331 4.847 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(=O)c2ccc(Br)cc2o1 27793903 GRNSMFGNBAIBBX-UHFFFAOYSA-N 412.161 4.827 0 40 HJAB COc1cccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(F)cc2)c1 36293379 RTCIOOGXUGTSSP-UHFFFAOYSA-N 414.414 4.659 0 40 HJAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cnc(-c2ccccc2)nc1 40088934 NCZBZWXNVDHLFW-UHFFFAOYSA-N 404.470 4.891 0 40 HJAB Cc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1NS(=O)(=O)c1ccccc1 40106669 HLUIKBZRIBIPAT-ACCUITESSA-N 410.470 4.587 0 40 HJAB O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1csc(-c2ccco2)n1 40145433 QYXXIOHLUYTYMR-UHFFFAOYSA-N 423.416 4.511 0 40 HJAB Cc1ccc(CN(CCCn2ccnc2)Cc2cc(C)n(-c3cccnc3)c2C)o1 43277755 WBJQVXULJROJCD-UHFFFAOYSA-N 403.530 4.680 0 40 HJAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)N[C@H](c1cccs1)C1CCCC1 48481328 KBVPWLCXRDDWNJ-NRFANRHFSA-N 411.571 4.715 0 40 HJAB Cc1ccc(NC(=O)CSc2ncccc2-c2nc(-c3cccs3)no2)cc1 49406948 LEDSPGSQHRGXRN-UHFFFAOYSA-N 408.508 4.899 0 40 HJAB Cc1ccc2c(c1)[C@@]1(Nc3ccccc3C(=O)N1c1ccc(F)c(Cl)c1)C(=O)N2 49947077 XGEUPOKSNXSJRA-QFIPXVFZSA-N 407.832 4.665 0 40 HJAB CCc1nnc2sc(-c3cccc(NC(=O)c4cc(Cl)ccc4Cl)c3)nn12 57316893 ORADXLDNYQXYNC-UHFFFAOYSA-N 418.309 4.974 0 40 HJAB CCCCOc1ccc(C(=O)Nc2cccc(-c3nn4c(CC)nnc4s3)c2)cc1 57316977 MSSSPVLOMHROKD-UHFFFAOYSA-N 421.526 4.846 0 40 HJAB CC(C)(C)n1nnnc1[C@H](c1cccnc1)N(Cc1ccccc1)Cc1cccs1 57710975 SGYJJYITWMLWJY-NRFANRHFSA-N 418.570 4.676 0 40 HJAB C[C@]1(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2F)CC1(Cl)Cl 58367901 WMLCTOIZUWIOSN-YLJYHZDGSA-N 421.299 4.696 0 40 HJAB C[C@@H](NC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1)c1ccc(F)cc1 67323956 JWAIHJRDEBLEDQ-QGZVFWFLSA-N 420.488 4.889 0 40 HJAB C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1F)c1cc2ccccc2o1 72232401 ZRRYTYTXIKGPBH-NSHDSACASA-N 412.280 4.515 0 40 HJAB CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(CCc3ccccc3)C2)c1 72358520 GZYCWOMNHLCFQU-QFIPXVFZSA-N 400.526 4.524 0 40 HJAB CCc1nc2cccnc2n1C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 72366006 ZTEUEQMCEKZPQE-UHFFFAOYSA-N 407.905 4.606 0 40 HJAB COc1cc(NC(=O)N2CCCC[C@@H]2CCc2ccccc2)ccc1N1CCCC1=O 95467040 WWNKTLGWQRFIOI-OAQYLSRUSA-N 421.541 4.841 0 40 HJAB O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N(Cc1ccncc1)Cc1cccnc1 96999880 BVCXHTLVSBVUQA-LEWJYISDSA-N 411.427 4.828 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1F 98072952 TTXXTRWYLAWHNG-UHFFFAOYSA-N 412.202 4.716 0 40 HJAB CC(C)C[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2ON1c1ccccc1 102728610 FNBXZQRPOLLYGF-GUDVDZBRSA-N 419.308 4.718 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=S)SCC(=O)Nc1ccc(OC(F)(F)F)cc1 215716147 DZCGZWACRAAWPY-TXEJJXNPSA-N 406.495 4.805 0 40 HJAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)Cc3ccccc3Cl)C2)n1 220807840 PIAOATMEDCCWKO-QGZVFWFLSA-N 409.917 4.722 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccc(C)cc1 222889649 HWOSCNSRVNYRRQ-QGZVFWFLSA-N 418.990 4.684 0 40 HJAB CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 222932842 YBJUBXSALIQBKW-XZOQPEGZSA-N 420.582 4.900 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 223092053 BSYFGZICZWYLJH-GOSISDBHSA-N 400.950 4.525 0 40 HJAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 223416777 GEMYMUWZHKINSG-VXKWHMMOSA-N 420.582 4.819 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(Cl)c1 224997812 TUYHQWJXADDGKY-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 224999399 XHMSXVSSWUPJHG-UXHICEINSA-N 418.537 4.551 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 225051869 DKGNVDLPDFMTDM-IRXDYDNUSA-N 418.940 4.662 0 40 HJAB O=C(COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1)N1CCCC1 225533762 OYIKTJAHQMITJS-UHFFFAOYSA-N 406.526 4.528 0 40 HJAB NC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)CC2CCCCC2)CC1 257206727 BERPCDBULZXQMH-UHFFFAOYSA-N 418.581 4.961 0 40 HJAB O=C(CNc1ccccc1Cl)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257255965 KJOYGOFLWZYKPM-UHFFFAOYSA-N 421.932 4.692 0 40 HJAB Cc1ncc(CN2CC[C@H](c3cc(COc4cccc(C(F)(F)F)c4)[nH]n3)C2)s1 257321911 WDVGHAOBAOBDRU-AWEZNQCLSA-N 422.476 4.762 0 40 HJAB O=C(NC1CCCCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 408626112 LXDVQEZEBOYTIU-HSZRJFAPSA-N 412.555 4.897 0 40 HJAB CCCc1sc2nc(SCC(=O)OCC)n(-c3cccc(C)c3)c(=O)c2c1C 409119795 QWJHUXKCDLIGQL-UHFFFAOYSA-N 416.568 4.672 0 40 HJAB Cc1ccc(-n2ncc3c(N)c4c(nc32)C[C@@H](c2cc(F)cc(F)c2)CC4=O)cc1C 618257509 YRWBDESNEDJEOR-OAHLLOKOSA-N 418.447 4.810 0 40 HJAB Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C 1634082786 XEZHIJYGLYIJSM-GFCCVEGCSA-N 424.954 4.530 0 40 HJAB Ic1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1 714759 SYRZVRLTIBCPDC-UHFFFAOYSA-N 422.247 4.887 0 40 HJAB O=C(CCN1CCc2ccccc2[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 1293829 MRBRTBIIJAGDSN-XMMPIXPASA-N 413.517 4.721 0 40 HJAB aggregator CCCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 1749325 NACFZTKIMQGZIG-UHFFFAOYSA-N 401.528 4.774 0 40 HJAB CCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)ccc12 2149726 XADGCNMPDAJJQZ-QGZVFWFLSA-N 417.502 4.653 0 40 HJAB biogenic CC(C)CCn1c(N)c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc21 2256430 ULICCDRYLKYGNX-UHFFFAOYSA-N 421.932 4.796 0 40 HJAB Cc1nc(NC(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)c(Cl)cc1Cl 3393638 RLJNHSZFSLRSHP-VIFPVBQESA-N 413.326 4.679 0 40 HJAB Cc1cc(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)nc2c(C)cccc12 3432295 QUUVZVHNLPARDX-UHFFFAOYSA-N 405.523 4.708 0 40 HJAB Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1ccc(F)cc1 4877780 SQFXPPUYKNLCBM-UHFFFAOYSA-N 414.889 4.672 0 40 HJAB COc1ccc(/C=C/c2nc3ccccc3s2)cc1S(=O)(=O)N1CCCCC1 4942373 TXFRZEUDPYLRAI-ZRDIBKRKSA-N 414.552 4.650 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 5415645 VCVYTUSEDNFFPK-ROUUACIJSA-N 402.494 4.848 0 40 HJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@H]1c1ccc([N+](=O)[O-])cc1 6570060 MLNRXWJHGOUTRE-IBGZPJMESA-N 411.483 4.712 0 40 HJAB O=C1O[C@H](C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)Cc2ccccc21 6649374 VXZMPZYBXCVADU-FQEVSTJZSA-N 414.486 4.607 0 40 HJAB O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCC2)cc1 7360554 OUENHVVCMMFICM-SFHVURJKSA-N 420.582 4.715 0 40 HJAB CC(C)Oc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 7363518 WQKLUVGQWRAMIP-UHFFFAOYSA-N 410.495 4.527 0 40 HJAB COc1ccc(-c2noc(CN(C(=O)Cc3ccccc3)C3CCCCC3)n2)cc1 7720742 JAVSUGMCFRIEDN-UHFFFAOYSA-N 405.498 4.649 0 40 HJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCCCC2)cc1OC 7912493 OEESSLZVTXFOSJ-UHFFFAOYSA-N 405.498 4.573 0 40 HJAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1cccc(Br)c1 7922141 DUZJNFUWUFTQLF-GFCCVEGCSA-N 404.333 4.690 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccc(C)c(NC(=O)COc3ccc(C)cc3)c2)cc1 8383016 KHROBEKZEKZVNN-UHFFFAOYSA-N 418.493 4.647 0 40 HJAB COc1ccc(-c2c(C)nn3c(C(F)(F)F)cc(-c4ccncc4)nc23)cc1OC 8569803 GJQVEJUVDFLKND-UHFFFAOYSA-N 414.387 4.803 0 40 HJAB COC(=O)c1ccc2nc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2c1 8904284 XXHRTQCGPIXSGL-UHFFFAOYSA-N 404.875 4.532 0 40 HJAB Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)C[C@H]3c2cccc(F)c2)n1 9164663 IQDJUACFRVWFNF-IBGZPJMESA-N 413.456 4.559 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)c3ccccc3C)c3ncnn32)cc1 9288987 FUCBGPFTGLTKDZ-RPWUZVMVSA-N 424.504 4.976 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C(=O)N(C)C)c3ccccc3)o2)cc1 12552066 HTPORIICLUICBV-LJQANCHMSA-N 410.543 4.504 0 40 HJAB CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)c1ccccn1 12790448 OVTNZRMCXLLFRC-UHFFFAOYSA-N 416.912 4.919 0 40 HJAB COc1cc(OC)c2[nH]c(C(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)cc2c1 12793698 PMAPMMBJVYRDPM-UHFFFAOYSA-N 418.478 4.814 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)N1c1ccccc1 13810855 XQCFIHZIJUUOLT-QHAWAJNXSA-N 422.843 4.530 0 40 HJAB Cc1nc(COc2ccccc2C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)no1 14706660 DKCNFSFSHBNSJF-UHFFFAOYSA-N 406.269 4.536 0 40 HJAB CCOc1ccccc1-c1nc(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cs1 14800340 RLMXPVMUDKZRDO-UHFFFAOYSA-N 418.421 4.712 0 40 HJAB CSc1ccc(CNC(=O)CSc2nccc(-c3ccc(C)c(C)c3)n2)cc1 15829399 IHETVRRXFCYVBK-UHFFFAOYSA-N 409.580 4.891 0 40 HJAB COP(=O)(OC)c1nc(Cc2ccc(Cl)cc2)oc1NCc1ccccc1 16750259 CIYQAZVKIMGKFX-UHFFFAOYSA-N 406.806 4.642 0 40 HJAB COc1ccc(C(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)c(O)c1 18107090 QWHCBIZFAXULQS-UHFFFAOYSA-N 416.271 4.696 0 40 HJAB CC(C)C[C@@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]2ON1c1ccccc1 18129666 KAEVMPMHCQRLOG-LMMKCTJWSA-N 419.308 4.718 0 40 HJAB CN(C)c1ncc(-c2ccccc2F)c([C@H]2CCCN(C(=O)C3CCCCC3)C2)n1 19694524 SSCOIPXNAMSAGT-SFHVURJKSA-N 410.537 4.635 0 40 HJAB COc1ccc(OC)c(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 20029784 MAMXJBZQQBDISO-UHFFFAOYSA-N 407.310 4.923 0 40 HJAB FC(F)(F)c1ccc(N2CCCN(c3ncnc4c3oc3ccccc34)CC2)nc1 23080704 SCMDWPIZWZOZNG-UHFFFAOYSA-N 413.403 4.507 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(Cc2cccc(F)c2)c1 28220446 NRWRSPNZRTWDFI-GFCCVEGCSA-N 408.260 4.783 0 40 HJAB CC1=C[C@@H](CNC(=O)c2ccc(F)cc2)[C@H](C(C)C)C[C@H]1CC(=O)Nc1ccccn1 30882130 OIVAJJZZAYFRRZ-ONTIZHBOSA-N 423.532 4.834 0 40 HJAB biogenic,in-vitro O=C(NCc1ccc(-c2nc3cnccc3o2)cc1)c1ccccc1Br 32104141 KMQKKJJCJRJFMT-UHFFFAOYSA-N 408.255 4.582 0 40 HJAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4ccccc4C)cc3)n2)cc1 32578785 AOJVFJBQWGAOLX-UHFFFAOYSA-N 413.477 4.716 0 40 HJAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 32900002 MYKMTRPGBGZDRL-IBGZPJMESA-N 417.436 4.553 0 40 HJAB O=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)Nc1ccccc1Cl 35598134 QIPOIUSTSZYELA-UHFFFAOYSA-N 405.849 4.703 0 40 HJAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 40104027 MQQQADQKMPWUHO-CQSZACIVSA-N 423.966 4.642 0 40 HJAB CC1(C)C[C@@H](NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c2ccccc2O1 44918360 LLMPTVIJSMXOAB-OAQYLSRUSA-N 412.961 4.971 0 40 HJAB CC1=NN(c2ccc(C(=O)NCc3cccnc3Oc3cccc(F)c3)cc2)CC1 49748808 QUWMQRGFPPSCJK-UHFFFAOYSA-N 404.445 4.529 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 57622111 KWFRJYLIJWHSAG-UHFFFAOYSA-N 424.548 4.671 0 40 HJAB C[C@@H](NC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Cl)cc1Cl 58158846 HDJBPCYZFLOARR-GFCCVEGCSA-N 420.296 4.525 0 40 HJAB CC(=O)NCc1ccc(-c2csc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)o1 72079634 KTYBLHNDLOSVJL-UHFFFAOYSA-N 421.309 4.585 0 40 HJAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72350233 MQTKEQPGYPWJHX-LJQANCHMSA-N 423.944 4.879 0 40 HJAB O=C(NCc1cccs1)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96038133 MUKYCLVXPOVIOJ-UHFFFAOYSA-N 416.481 4.923 0 40 HJAB Cc1ncc(CN2CCCC2)c2cc(-c3cc(=O)oc4cc5c(cc34)CCC5)oc12 96116514 HCNXVAZYVCTAAJ-UHFFFAOYSA-N 400.478 4.994 0 40 HJAB biogenic O=C1C[C@@H](c2ccccc2OCc2cccc(Cl)c2)c2snc(C(=O)O)c2N1 96335694 TUMLWKURRXGAHS-AWEZNQCLSA-N 414.870 4.548 0 40 HJAB Cc1cccc(C)c1OC1CCN(C(=O)c2cc(C(C)C)nc3onc(C)c23)CC1 97428324 NIQFZQJNKGPJJQ-UHFFFAOYSA-N 407.514 4.955 0 40 HJAB Fc1cccc(Cl)c1[C@@H]1C=C(c2cccc(Br)c2)Nc2ncnn21 101100313 MRKFWWYKNVPQMH-HNNXBMFYSA-N 405.658 4.889 0 40 HJAB COC(=O)c1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 216246411 ORIAQANOOXVZIX-UHFFFAOYSA-N 400.478 4.678 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1 218929717 NPWGUKWWQLYHLK-UHFFFAOYSA-N 400.950 4.674 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219322564 PHAYSUYDYZXVOR-HNNXBMFYSA-N 406.269 4.517 0 40 HJAB Cc1ccccc1[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(C)C 223971044 DZFRXEIRGXXNLY-QHCPKHFHSA-N 422.550 4.923 0 40 HJAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1C(=O)NC1CCCCC1 224614974 PIKYXTFDBHKHQR-UHFFFAOYSA-N 406.526 4.645 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc(Cl)cc3F)n2)cc1 225020503 QTBZJAYBJOMJHY-UHFFFAOYSA-N 419.909 4.729 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 225046275 YOSWUXCIXCMJLW-MOPGFXCFSA-N 414.977 4.913 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 225208458 PCEBZANAFURPGS-ROUUACIJSA-N 400.950 4.523 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 225700057 FCTBVQMCEKWFJE-JOCHJYFZSA-N 412.599 4.560 0 40 HJAB CN(C(=O)c1nc(-c2ccn(Cc3cccs3)c2)n2ccccc12)c1ccncc1 306144208 YZHCLNCLCBCYBM-UHFFFAOYSA-N 413.506 4.584 0 40 HJAB OCc1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 311901719 ANGFTBZVOKOURS-UHFFFAOYSA-N 406.501 4.936 0 40 HJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(F)(F)F)cc3)C2=O)c1 408933388 JETYUHQQUVNMRC-YBEGLDIGSA-N 420.412 4.689 0 40 HJAB CC[C@](C)(NC(=O)c1ccc(C(=O)N[C@](C)(CC)C(F)(F)F)s1)C(F)(F)F 531331114 CTCHAOIMHSXALL-OKILXGFUSA-N 418.403 4.670 0 40 HJAB Cc1ccc(-c2ccc(CNc3ccc(NC(=O)[C@@H](C)n4cncn4)cc3)o2)cc1 676319365 QGNKRZPYLDDRJD-QGZVFWFLSA-N 401.470 4.658 0 40 HJAB Cc1cc(CN[C@H](C)[C@H](O)C(F)(F)F)cc(C)c1OCc1ccccc1Cl 1658414970 GLDSPPWQCOYPLO-KUHUBIRLSA-N 401.856 4.937 0 40 HJAB COC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2ccc(F)cc2)c1C 871577 YCGJKAFKKDXSHU-UHFFFAOYSA-N 418.471 4.548 0 40 HJAB O=C(/C=C/c1ccco1)Oc1ccc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1 982339 RBOJZLMNCHZAIX-RJRNSMGGSA-N 420.490 4.693 0 40 HJAB Cc1sc(NC(=O)C2CC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F 1238230 OYWFSQKXRHRACG-UHFFFAOYSA-N 421.497 4.809 0 40 HJAB COc1ccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccccc4Cl)C3)n2)cc1 1362800 NHWMADDURKUQIG-HNNXBMFYSA-N 412.877 4.810 0 40 HJAB COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(F)cc2)cc1 2232097 TVIDULQXFYMDEJ-QFIPXVFZSA-N 415.420 4.686 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(C[C@H]1CCCO1)C3=O 2401847 MAWUZNWSDVGOLX-AUSIDOKSSA-N 417.505 4.949 0 40 HJAB Cc1nn2c(N3CCN(c4ccccc4)CC3)c3c(nc2c1-c1ccccc1)CCCC3 2440393 KAEULOCRTTUJLA-UHFFFAOYSA-N 423.564 4.910 0 40 HJAB CSc1nc(N2CCOCC2)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 2443337 KUJRDAHIUJBIFX-UHFFFAOYSA-N 424.551 4.547 0 40 HJAB CCN(C(=O)COC(=O)c1cnc(Cl)c(Cl)c1)c1cccc2ccccc12 3319281 BXJLEAIBIKSMMX-UHFFFAOYSA-N 403.265 4.752 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Oc2ccccc2C(=O)Nc2ccc(F)c(F)c2)c1 3353494 MWFZPEFYZHIWNG-UHFFFAOYSA-N 417.433 4.602 0 40 HJAB CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 4066607 FAWXECJFJVYKRS-AYPBNUJASA-N 420.509 4.625 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2 4505596 BJTYJPHZPKOYLR-UHFFFAOYSA-N 413.901 4.524 0 40 HJAB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccc(OCc2ccccc2)cc1 5477763 HZKBAAWJGMMBIJ-HPEPBICTSA-N 410.517 4.903 0 40 HJAB Cc1cccc(OC[C@H](O)Cn2c(COc3ccccc3C)nc3ccccc32)c1 5589698 WAFKKTLLKLSIOE-HXUWFJFHSA-N 402.494 4.672 0 40 HJAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1c[nH]c2ccccc12 5860863 BNTITCJIXZOFTG-UHFFFAOYSA-N 411.486 4.842 0 40 HJAB aggregator O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cnc2ccccc2n1 6647081 DDJHXHWMPYUOBO-UHFFFAOYSA-N 400.404 4.891 0 40 HJAB Cc1ccc(C(=O)N[C@H](C(=O)NC(c2ccccc2)c2ccccc2)C(C)C)cc1 6778593 XEIBQHVXLJYIBG-QHCPKHFHSA-N 400.522 4.655 0 40 HJAB CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccc(C)c(C)c1)S2 6812233 STWFHSJWDZLLSP-LEWJYISDSA-N 421.570 4.554 0 40 HJAB COc1ccc(Cn2c(SCc3cccc(OC)c3)nc3ccccc3c2=O)cc1 7536682 ZETVBJCNZULSGN-UHFFFAOYSA-N 418.518 4.754 0 40 HJAB CCOc1ccccc1NC(=O)c1cc2c(N3CCCC3)nc(SC)nc2s1 7604266 DNBNDQOSMUEWBA-UHFFFAOYSA-N 414.556 4.664 0 40 HJAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccc(Br)cc1F 7699837 SGKFAICGAZKLMV-GHXNOFRVSA-N 405.292 4.921 0 40 HJAB Cc1ccc(NC(=O)Cc2nc(-c3cccc(N4CCCC4=O)c3)cs2)c(C)c1 8325900 QMZQZOQARJNSHN-UHFFFAOYSA-N 405.523 4.735 0 40 HJAB CCCCCCC1=NN(C(=O)c2ccc(Br)cc2)[C@@](O)(C(F)(F)F)C1 8441024 SCPNYFGLHWXSSX-INIZCTEOSA-N 421.257 4.872 0 40 HJAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccccc1OCc1ccccc1 8496662 RBDLXRCCVXKKIN-UHFFFAOYSA-N 418.522 4.939 0 40 HJAB Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)c1 8654867 BZUXJRXUYFAGHO-QFIPXVFZSA-N 400.950 4.679 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1C 8840649 JXZRSCNQGNGGNP-UHFFFAOYSA-N 420.534 4.584 0 40 HJAB O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1ccc(F)cc1Cl 9036972 QKSDUQQNTRYLCW-UHFFFAOYSA-N 414.889 4.991 0 40 HJAB CCC(=O)N(c1nnc(SCc2noc(-c3ccc(F)cc3)c2C)s1)C1CC1 9533160 FMPUYGHLBVBJND-UHFFFAOYSA-N 418.519 4.838 0 40 HJAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O 9591275 WSIPAONIILVBKI-NRFANRHFSA-N 420.337 4.503 0 40 HJAB O=C(COc1cccc(F)c1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235680 LZHTVPCIJSORBQ-UHFFFAOYSA-N 404.894 4.874 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10315135 VNCLOOBYEKKLPO-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB CCCN1C(=O)N[C@@H](c2c(Cl)cccc2Cl)C(C(=O)Nc2cc(C)on2)=C1C 10355547 HSPGLTJOEXGDSC-QGZVFWFLSA-N 423.300 4.679 0 40 HJAB O=C(NCCCOC1CCCCC1)C1CCN(C(=O)c2cccc3ccccc23)CC1 11356209 MKFUZBADPSWJSD-UHFFFAOYSA-N 422.569 4.548 0 40 HJAB O=C(CS[C@H]1CCc2ccccc2N=C1O)Nc1ccc(OC(F)(F)F)cc1 11865817 YJTPCVIUJVJCJM-INIZCTEOSA-N 410.417 4.860 0 40 HJAB Cn1ncc(Cl)c1[C@H]1CCCCCN1C(=O)c1cc(-c2ccc(F)cc2)no1 12119584 QRAFBNMBZOGASD-QGZVFWFLSA-N 402.857 4.625 0 40 HJAB COc1ccc(C[C@@H](C)NC(=O)C(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1 12401824 XXVFQCFNVOQYEE-QGZVFWFLSA-N 412.489 4.774 0 40 HJAB CC(C)c1ccc(-c2nc(CC(=O)Nc3ccccc3N3CCOCC3)cs2)cc1 12592781 JFHAPQWXIBPLEC-UHFFFAOYSA-N 421.566 4.951 0 40 HJAB CCOc1ccccc1NC(=O)NCC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 12854429 PZRMTALKYXKJFD-QHCPKHFHSA-N 411.546 4.844 0 40 HJAB CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)n1 13011309 VXQLJOIGJNNWRJ-MRXNPFEDSA-N 420.538 4.942 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CSc1cccc2cccc(Cl)c12 13110196 CQXKTXYDWDSJKX-GASCZTMLSA-N 405.947 4.918 0 40 HJAB CCCCc1ccc(NC(=O)[C@@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 13712636 UYSPENRLLDDBJV-HXUWFJFHSA-N 422.978 4.866 0 40 HJAB COc1ccc([C@H]2CCCN2Cn2nc(-c3cccc(C)c3)n(C)c2=S)c(OC)c1 14185897 JRTZKNKIQMMQTP-HXUWFJFHSA-N 424.570 4.738 0 40 HJAB CCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Br)cc1 14255091 CRPGZOLBDAQZBO-UHFFFAOYSA-N 419.138 4.575 0 40 HJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@H](C)C(=O)c1ccc(F)c(F)c1 14854233 DHKDXZIOBCZDHG-LLVKDONJSA-N 405.397 4.964 0 40 HJAB Cn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1cc2ccccc2o1 15018990 CJKBFDFDVQDCEB-UHFFFAOYSA-N 421.507 4.569 0 40 HJAB COc1cccc(C(=O)N(Cc2ccccc2)Cc2nc(C)ncc2-c2ccncc2)c1 19287008 MPJCEUVQZZCYTH-UHFFFAOYSA-N 424.504 4.698 0 40 HJAB O=C(C1CCC1)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 19373319 KLBBCMIWXPUZKM-UHFFFAOYSA-N 413.525 4.788 0 40 HJAB Cc1cc(C)cc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1 20241795 PRLGPCKYTNDALC-UHFFFAOYSA-N 413.565 4.874 0 40 HJAB CN(Cc1ccccc1N1CCOCC1)C(=O)Cc1coc2ccc3ccccc3c12 24191384 CBBAJMSNCUKKQV-UHFFFAOYSA-N 414.505 4.624 0 40 HJAB COc1cccc(-c2nc(C(=O)Nc3nc4c(s3)CCCCC4)cs2)c1OC 29609671 VWMXUNSDQACIHK-UHFFFAOYSA-N 415.540 4.805 0 40 HJAB Cc1ccc(SCC(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 32930122 FCIIXQYPGJPYPO-UHFFFAOYSA-N 412.536 4.527 0 40 HJAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1OC 33000174 SKKAEANLWCPAGM-UHFFFAOYSA-N 419.840 4.508 0 40 HJAB O=c1/c(=C\c2ccc(OCc3ccccc3Cl)cc2)sc2nc3ccccc3n12 33364996 DBCWZDSPNFPPDI-FYJGNVAPSA-N 418.905 4.689 0 40 HJAB CCCN(Cc1ccccc1)C(=O)Nc1cc2c(cc1Br)OCCO2 40103734 QWYUSODSRIGPSV-UHFFFAOYSA-N 405.292 4.664 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c(Br)c1 40140991 TXSPPPMMVYPHJV-CQSZACIVSA-N 419.319 4.758 0 40 HJAB CCCCOc1ccc(-c2cc(C(=O)Nc3nnc(CCCC)s3)no2)cc1 46086374 CZVHKMPSLFJGCE-UHFFFAOYSA-N 400.504 4.967 0 40 HJAB O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N(C1CCCCC1)C1CC1 48264930 QBTFTPJTVGYFOF-UHFFFAOYSA-N 416.518 4.564 0 40 HJAB CC(C)c1c(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)cnn1-c1cccc(Cl)c1 59303771 VCNVOUVRFADZPM-UHFFFAOYSA-N 424.932 4.532 0 40 HJAB CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 60158766 MVCREXDSLCCZJO-UHFFFAOYSA-N 408.420 4.627 0 40 HJAB CC(C)(C)OC(=O)N1CCN(c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)CC1 63111077 NFUYBVBGUINNNR-UHFFFAOYSA-N 424.476 4.600 0 40 HJAB CC(C)(C)c1cc2nc(C3CCN(C(=O)c4ccco4)CC3)cc(C(F)(F)F)n2n1 72341085 PDCMLBCBKIEPDL-UHFFFAOYSA-N 420.435 4.658 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)cc1 72349556 HKSAVCITBQEGLJ-IBGZPJMESA-N 404.485 4.845 0 40 HJAB COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)CCc3ccccc3)n2)c1 72357769 NLFSOPVSQXVQEF-RUZDIDTESA-N 400.522 4.977 0 40 HJAB O=C(Cc1ccccc1Cl)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177473 FJJXNXGZQFSJTK-HNNXBMFYSA-N 415.921 4.946 0 40 HJAB O=C(c1ccc(Oc2ccc(Br)cc2)nc1)N1CCOc2ccccc21 84582895 BXPDNCLVTYFUJV-UHFFFAOYSA-N 411.255 4.676 0 40 HJAB Cc1ccc(SCCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 95482229 QDRKMCJIUQYLFA-UHFFFAOYSA-N 401.919 4.839 0 40 HJAB N=c1c2c(ncn1Cc1ccco1)Oc1cc(O)ccc1[C@@H]2c1ccccc1Cl 101350807 FJZFDMPHDBIXKC-IBGZPJMESA-N 405.841 4.649 0 40 HJAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 102093650 VWUDQRBJMAYMFX-YKHZUEPJSA-N 409.869 4.840 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 224075099 UHCQNNHPSBPRFU-XMMPIXPASA-N 408.586 4.612 0 40 HJAB Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225023111 UTVFYDYPBUXXHI-VXKWHMMOSA-N 406.530 4.927 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 225085796 NOERQWJLPPHPLJ-OALUTQOASA-N 414.977 4.913 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1 225458957 JHJDGFXUPSGJIL-DENIHFKCSA-N 412.599 4.642 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CSc1ccccc1 225493634 GHUUXJFUNNVLJG-KNQAVFIVSA-N 412.599 4.809 0 40 HJAB Cc1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC(C)C)cc1 225529687 JMLSMXJZZNMAKP-HXUWFJFHSA-N 424.585 4.613 0 40 HJAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)c(C)c1 225667600 XJBWLHRLRMAOGG-MIDMBNTASA-N 402.494 4.853 0 40 HJAB COc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3)n2)c1 408698023 LCGUEBQITLHQEQ-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)cc1OC 409054791 VIKLEZMPQGSSMX-ZHZULCJRSA-N 413.495 4.518 0 40 HJAB Cc1cc(C)cc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)c1 409179200 PTUUHADJVIGCME-UHFFFAOYSA-N 411.841 4.825 0 40 HJAB C[C@@H]1CCC[C@H]2C1=NN(C(=O)c1ccc(-c3ccccc3)cc1)[C@]2(O)C(F)(F)F 409184905 YRWRVIXKEKPKLW-YMTYPPQLSA-N 402.416 4.853 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)cc1 409329430 FULVOQGXLNVAQF-UHFFFAOYSA-N 424.570 4.811 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(F)c3)[C@](O)(C(F)(F)F)[C@@H]2C1 409364673 XVWXMPPTVYAGEZ-ZXYWRSMDSA-N 400.416 4.741 0 40 HJAB CCCCCCOC[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12 504810180 OXLUIJSXMUVGQM-ZSYZGHEHSA-N 424.578 4.828 0 40 HJAB biogenic Cc1cnc(Nc2cccc(CC3CCN(Cc4cnc(C(C)C)nc4)CC3)n2)s1 585263492 NCVIUJLXGBXCEQ-UHFFFAOYSA-N 422.602 4.958 0 40 HJAB CN1CCCCCCN(C(=O)C2CCC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582045 JOIXYEFWBWICLE-GGAORHGYSA-N 412.574 4.651 0 40 HJAB COc1ccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(F)cc2)cc1 704065 WTCRACIGBWPZCE-UHFFFAOYSA-N 414.414 4.659 0 40 HJAB O=C(CSc1nnc2sc3ccccc3n12)Nc1ccc(Cl)c(Cl)c1 723846 IKTALBYQPHVTQW-UHFFFAOYSA-N 409.323 4.982 0 40 HJAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1cccc(Cl)c1 863288 HNUTUAFJKSRNPB-UHFFFAOYSA-N 421.913 4.714 0 40 HJAB O=C(NCc1ccccc1)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F 866028 XIWGMBNNSMJNOY-ZWKOTPCHSA-N 418.394 4.613 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nnc2cc(C)c3cc(C)cc(C)c3n12 902992 IBYWATGVIUJQNP-UHFFFAOYSA-N 420.538 4.937 0 40 HJAB COC(=O)c1c(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc(C(C)=O)c1C 1107930 BJNZYNXKIRYYLW-JOYOIKCWSA-N 404.315 4.575 0 40 HJAB CC[C@@H]1Oc2ccc(C(=O)n3nc(C)cc3C)cc2N(Cc2cc(C)ccc2C)C1=O 1328834 GIWKCMUWXFYCCF-QFIPXVFZSA-N 417.509 4.509 0 40 HJAB CCCOc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1OC 2070837 KDHSFPVZYFGZDM-APSNUPSMSA-N 407.800 4.760 0 40 HJAB O=C(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccc(F)cc1 2256281 FBSNQTQSMFQURC-UHFFFAOYSA-N 409.424 4.850 0 40 HJAB CCCSc1nc(NCCN(CC)CC)c2c3c(sc2n1)COC(C)(C)C3 2398114 GHEKZPDZASVJAS-UHFFFAOYSA-N 408.637 4.798 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 2431892 RDJREMOGCXSIOB-UHFFFAOYSA-N 415.522 4.623 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCc4ccccc43)c2)c1 3328714 JLXHXKMMJFLUDR-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB Cc1cc(C(=O)Nc2nc(C)c(Cc3ccc4c(c3)OCO4)s2)c2ccccc2n1 3336922 FZFNXDHYGNQEJW-UHFFFAOYSA-N 417.490 4.880 0 40 HJAB COc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc(Cl)cc3)nc12 4359725 PZEBBSBMMXXYGY-UHFFFAOYSA-N 403.935 4.557 0 40 HJAB Cc1nc(NCCNC(=O)C23CC4CC(CC(C4)C2)C3)c2c3c(sc2n1)CCCC3 4848572 KDTPWEFZLVWDHB-UHFFFAOYSA-N 424.614 4.623 0 40 HJAB CN(C)c1cccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c1 5403231 CHWWQCQEXRJCET-UHFFFAOYSA-N 404.491 4.739 0 40 HJAB CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)OCCCO2 5407851 YQKBZYGOANVFNO-LJQANCHMSA-N 404.304 4.738 0 40 HJAB Cc1ccc(-c2c(NC(=O)CN3CCCCC3)oc3ccc(Cl)cc3c2=O)cc1 5451734 KWHXKDAXAMRKLZ-UHFFFAOYSA-N 410.901 4.846 0 40 HJAB Cc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCC(=O)N2CCCCC2)cc1 5606459 MNNYCEXBJSHYGI-UHFFFAOYSA-N 411.885 4.813 0 40 HJAB CCCN1C(=O)S/C(=C/c2cc(Br)c(OCC)c(OCC)c2)C1=O 6654766 FZMAGDUXPLYKIL-GXDHUFHOSA-N 414.321 4.693 0 40 HJAB CCOc1cc(C(=S)N2CCCC2)ccc1OCC(=O)Nc1ccc(Cl)cc1 6960823 POUFJOQVASLFFY-UHFFFAOYSA-N 418.946 4.528 0 40 HJAB O=C([C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1)N1CCCC1 7112402 AQGCWYXTPMHCLQ-FQEVSTJZSA-N 422.529 4.875 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1 7598270 FRTADXOBBIAGLX-UHFFFAOYSA-N 412.445 4.979 0 40 HJAB Cc1cccc(CN2C(=O)N(c3c(C)cccc3C)S(=O)(=O)c3ccccc32)c1 7615878 VZPJSYFCQPKUEC-UHFFFAOYSA-N 406.507 4.947 0 40 HJAB C[C@@H](c1ccccc1)n1c(SCC(=O)c2ccc(O)cc2)nc2ccccc2c1=O 7628548 UIUDCILVKAADGW-INIZCTEOSA-N 416.502 4.686 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)c1C 7733726 RSEFEARQHLAODV-HNNXBMFYSA-N 408.527 4.656 0 40 HJAB Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccnn2C2CCN(C)CC2)c1 7778743 DHBKQKYMCDQCPN-UHFFFAOYSA-N 421.570 4.565 0 40 HJAB Cc1n[nH]c2c1[C@@H](c1ccccc1Cl)N(c1ccc(Br)cc1)C2=O 8024897 QNCGVQYTUPXGLL-QGZVFWFLSA-N 402.679 4.884 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(COc2ccccc2)cc1 8312555 BTEDUNNXNHVAQZ-UHFFFAOYSA-N 402.494 4.593 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 8879149 CVEWXPYKAOEYGA-TZIWHRDSSA-N 410.539 4.642 0 40 HJAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc21 8959374 VXKAQAZEHMDHTG-UHFFFAOYSA-N 414.505 4.916 0 40 HJAB O=C(Nc1nonc1-c1ccc2c(c1)CCCC2)c1cc(=O)c2cc(Cl)ccc2o1 9419903 SDEYOIXIOYTYHA-UHFFFAOYSA-N 421.840 4.628 0 40 HJAB Cc1cc(C)nc(SCc2nc3cc(NC(=O)C4CCCCC4)ccc3n2C)n1 9421262 DFFVDYVAUHOQFJ-UHFFFAOYSA-N 409.559 4.791 0 40 HJAB O=C(CCc1nc(-c2cccs2)no1)N1CCC[C@@H]1c1nc2ccccc2s1 9516485 ITUMFOCLMLOLKV-CQSZACIVSA-N 410.524 4.704 0 40 HJAB COc1ccc(NC(=O)Cc2cn(Cc3ccccc3)c3ccccc23)cc1OC 9523524 CLFJZIGNODHATO-UHFFFAOYSA-N 400.478 4.888 0 40 HJAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1ccc(Cl)cc1 9559343 XXXJSYIFOAVBLI-KSSFIOAISA-N 423.694 4.881 0 40 HJAB CC[C@@H](C)Sc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1 11758352 LAMHIBQTZLIGPW-MRXNPFEDSA-N 424.595 4.836 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 12137234 PNPKYJGGZPNPAX-MOPGFXCFSA-N 402.494 4.892 0 40 HJAB CCOc1c(Cl)cc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1OC 12819987 ITSVIIJKKDHZLY-ZDUSSCGKSA-N 423.966 4.688 0 40 HJAB Fc1ccc(-c2nc(Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)cs2)cc1 12999738 AKXRRPHMAODHQJ-UHFFFAOYSA-N 405.380 4.670 0 40 HJAB CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1 16489325 XTUYSTGLEAAUNT-UHFFFAOYSA-N 408.329 4.632 0 40 HJAB CCOc1cc(Cl)c(S(=O)(=O)n2cc(C)nc2-c2ccccc2)cc1Cl 16780532 GLAAIYRYNIIHNP-UHFFFAOYSA-N 411.310 4.801 0 40 HJAB COc1cccc2cc(C(=O)Nc3cc(C)nn3-c3nc4ccccc4s3)oc12 16851042 NEGUVOARSQFGAZ-UHFFFAOYSA-N 404.451 4.798 0 40 HJAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cc(C)cc(C)c1 17087622 RUQZDZIDYXGOFA-UHFFFAOYSA-N 407.333 4.510 0 40 HJAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccccc3Br)sc2c1 17092116 LYKUQXWPYDSNSZ-UHFFFAOYSA-N 420.357 4.802 0 40 HJAB CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cccc(F)c3)CC2)n1 19084741 GKJRNHOMHIBNSD-UHFFFAOYSA-N 418.516 4.995 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H]2c2cc(-c3ccccc3)cc(C)n2)cc1OC 19690756 GIVFYMUCKAIYMR-QHCPKHFHSA-N 416.521 4.980 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)sc2c1CCCC2 19934224 NBNNAYFJPYHJPR-MRXNPFEDSA-N 405.491 4.739 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 21825140 WUKZVUPKNHKEFF-KDURUIRLSA-N 420.582 4.740 0 40 HJAB O=C(CN1CCC[C@@H](C(F)(F)F)C1)Nc1ncc(Cc2ccccc2Cl)s1 22240879 TZWHBFVGQGQRFI-CYBMUJFWSA-N 417.884 4.600 0 40 HJAB C[C@@H](OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)c1c[nH]c2ccccc12 23070445 SNMLBOZQFSKAGN-CQSZACIVSA-N 418.474 4.910 0 40 HJAB COc1ccc(CN[C@H]2c3ccccc3C(=O)N2CCc2ccc(Cl)cc2)cc1 23343426 DKUAWFZSGIVDHU-HSZRJFAPSA-N 406.913 4.836 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1 27396768 RDRSJFMMYAAHMX-HSZRJFAPSA-N 406.482 4.856 0 40 HJAB Cc1ccc(NC(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)c2nnn[nH]2)cc1 27562010 HETTWHNKEQXRSK-SFQUDFHCSA-N 405.845 4.601 0 40 HJAB O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1ccccc1Br 27989259 RHHXOBNQFFMPPA-QGZVFWFLSA-N 407.377 4.858 0 40 HJAB COc1ccc(-c2nc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)no2)cc1 32612003 WWISBOAIBFNGKC-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CCCc2cccs2)cc1 32854654 PMVDUUDQMHHBOQ-UHFFFAOYSA-N 422.550 4.691 0 40 HJAB C[C@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 32868660 YRYQTNZNGCQJFA-ZDUSSCGKSA-N 419.462 4.738 0 40 HJAB O=c1/c(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)sc2nc3ccccc3n12 34968215 LNSQROOKYBCZCG-BKUYFWCQSA-N 418.905 4.689 0 40 HJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(-n2cnc3ccccc32)nc1 36391442 YKCKHQQLGPKKJR-UHFFFAOYSA-N 417.519 4.787 0 40 HJAB COc1cccc([C@@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c1 36611684 YDQPHLSENSSIAI-MRXNPFEDSA-N 400.482 4.537 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3ccc(F)cc3C)c3c(C)nn(C)c3n2)c1 36616172 ZRXCLEZRHXNPHJ-UHFFFAOYSA-N 404.445 4.652 0 40 HJAB COc1ccc(-c2cnn3c(C)c(C(=O)Nc4cccc(Cl)c4)cnc23)cc1OC 38829678 VLQDRZIJCFTAHC-UHFFFAOYSA-N 422.872 4.628 0 40 HJAB CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)CCc1c[nH]c2ccccc12 40152996 YGGXSXFXGHUBGC-UHFFFAOYSA-N 400.526 4.592 0 40 HJAB CCOC(=O)/C=C/c1cc(Br)c(OCc2cccc(C)c2)c(OC)c1 62715482 IAPWUVVLYDPPOA-CMDGGOBGSA-N 405.288 4.921 0 40 HJAB CCOC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c1 67296050 BEVXCFVUYJGDCP-GFMRDNFCSA-N 419.462 4.551 0 40 HJAB CN(Cc1ccc(C(F)(F)F)cc1)Cn1nc(-c2ccccc2F)n(C)c1=S 69005228 RCMYHZAJHLCFMI-UHFFFAOYSA-N 410.440 4.865 0 40 HJAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc2[nH]c(C)c(C)c2c1 69230610 PAUKXEVAFHNTPW-UHFFFAOYSA-N 422.916 4.727 0 40 HJAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2cc3ccc(OC)cc3[nH]2)c1 69929352 NDMYEINJPNFXNU-UHFFFAOYSA-N 415.449 4.690 0 40 HJAB O=C(NC[C@H](O)c1cccc2ccccc12)c1cc(Br)ccc1Cl 70636084 ACOJVJYQTWMVKK-SFHVURJKSA-N 404.691 4.719 0 40 HJAB O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccc(F)cc2)C1)C1CCCC1 72341416 BJZPMXNUCFTXNP-ICSRJNTNSA-N 401.551 4.542 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H](c3cccc(Cc4ccccc4F)n3)C2)cc1 72349573 GLIRMOVFDVIECK-NRFANRHFSA-N 418.512 4.769 0 40 HJAB COc1cc([C@@H]2SCC(O)=Nc3ncn(-c4ccc(Cl)cc4)c32)ccc1O 95479198 NNDXZJVXOALFCT-SFHVURJKSA-N 401.875 4.664 0 40 HJAB CCOC(=O)c1nn(CC(=O)c2cc3c(c4c2CCCC4)CCCC3)c2ccccc12 96191883 UCCCPLOSBOAVSE-UHFFFAOYSA-N 416.521 4.854 0 40 HJAB COC(=O)c1cc(NC(=O)c2occc2CSc2ccccc2)c(F)cc1F 97091096 QZCVZSWNVOMMML-UHFFFAOYSA-N 403.406 4.889 0 40 HJAB C[C@@H](NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)[C@H]1C[C@@H]2CC[C@@H]1C2 101694213 HZWNNSKPSQWJKP-YWTNHNAXSA-N 418.493 4.593 0 40 HJAB CC(C)c1ccccc1OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 222807793 AUAGAVIBQPRWHN-UHFFFAOYSA-N 406.448 4.556 0 40 HJAB Cc1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2F)cc1Cl 224187521 MRCMPGVTJXCJGY-UHFFFAOYSA-N 402.318 4.869 0 40 HJAB CCCc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 224533703 FUXYWOVNNZXWIJ-UHFFFAOYSA-N 414.977 4.700 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 224740489 ZQCYLBMTAKTKNY-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 225072649 BOKHXBDAYZZPEM-JOCHJYFZSA-N 412.599 4.562 0 40 HJAB O=C1CCCN1c1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)cc1 225303613 CZQIDRWVQNEYQW-UHFFFAOYSA-N 420.003 4.687 0 40 HJAB COc1cc(CNC(=S)Nc2ccc(OC)c3ncccc23)ccc1OC(C)C 225532700 JRHOUTJJYROUEA-UHFFFAOYSA-N 411.527 4.526 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCSc2ccc(OC)cc2)c1 225803513 RDJRJLDFWZYMIZ-UHFFFAOYSA-N 418.584 4.649 0 40 HJAB O=C(O)c1cc(Br)cc(Br)c1-c1cc2ccccc2oc1=O 226357530 XVNKGSMKKYVSGR-UHFFFAOYSA-N 424.044 4.683 0 40 HJAB CCOc1ccc(-c2nc(Nc3ccc(C)c(Cl)c3)sc2CC(=O)O)cc1 408900286 USTYHNDFNVVFRZ-UHFFFAOYSA-N 402.903 5.541 0 40 HJAB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Cl)c1OC(C)C 409239788 QIOOVBSLKLSYPW-LFIBNONCSA-N 413.923 4.599 0 40 HJAB Cc1cccc(Nc2cc([C@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)nc(C)n2)n1 585292848 STLMPMPNUZPCJE-ARKBFRDHSA-N 413.525 4.651 0 40 HJAB COc1cccc([C@H](C)C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 1528558741 JSSZBIFABHVDAN-AOMKIAJQSA-N 416.512 4.809 0 40 HJAB Cc1cc(C)cc(C2=CCN([C@@H](C)c3nc(N)nc(Nc4ccccc4)n3)CC2)c1 1559657733 PKXXDCDHVMIPLP-SFHVURJKSA-N 400.530 4.665 0 40 HJAB Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)n1 818263 BIOAKZSNNSQEQI-UHFFFAOYSA-N 404.948 4.525 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(Cl)c2Cl)n2ncnc2N1 956233 WPSURDHVCHCYCE-KRWDZBQOSA-N 400.269 4.513 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccc(Br)cc1 1265734 CVYUGQCGWBZZAH-UHFFFAOYSA-N 418.070 4.561 0 40 HJAB CCCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccccn1 1362630 YGHJACKYAMVPRE-UHFFFAOYSA-N 403.511 4.634 0 40 HJAB O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)C(c1ccccc1)c1ccccc1 2220373 KJULQIBYOYAHLZ-UHFFFAOYSA-N 415.562 4.932 0 40 HJAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccc(C(C)C)cc4)ncnc32)cc1 2453186 AXOPYTMORSEAHI-UHFFFAOYSA-N 417.538 4.978 0 40 HJAB Cc1sc2nc(COC(=O)CSc3ccc4ccccc4c3)[nH]c(=O)c2c1C 2635482 FRWWBMXDXDGXAB-UHFFFAOYSA-N 410.520 4.590 0 40 HJAB CCSc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)s1 2657498 NYZQQBAGQGYWCF-UHFFFAOYSA-N 407.524 4.755 0 40 HJAB O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC1CCCCC1 3242004 JDWHKKKUIRELOO-UHFFFAOYSA-N 411.342 4.578 0 40 HJAB O=C(Oc1ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc2c1)C1CC1 4339967 UFIOUUNSHJYGTN-UHFFFAOYSA-N 408.793 4.535 0 40 HJAB biogenic Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(C)cc3C)c3ccccc32)c(C)c1 4556252 MRCSPYSZWZSZBQ-HHHXNRCGSA-N 413.517 4.928 0 40 HJAB Cc1ccc2c(Cn3cnc4sc(C)c(-c5ccccc5)c4c3=O)cc(=O)oc2c1 5017360 KNAMIKYJWBQFSV-UHFFFAOYSA-N 414.486 4.897 0 40 HJAB CCCCSc1nc(NCCCN(C)C)c2c3c(sc2n1)COC(C)(C)C3 5150416 DTQVXWSGSYQKDO-UHFFFAOYSA-N 408.637 4.798 0 40 HJAB COc1ccc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)cc1 5442497 VQQZFGRORYUERL-HXUWFJFHSA-N 410.857 4.698 0 40 HJAB Cc1ccc(NC(=O)N(CCc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 5625985 CEMLYHLLVSKNHR-UHFFFAOYSA-N 412.493 4.508 0 40 HJAB CCc1ccc(C(=O)OCC(=O)c2cc(C)n(CCc3ccc(OC)cc3)c2C)cc1 5691945 FIPLSMSGCPGPQW-UHFFFAOYSA-N 419.521 4.958 0 40 HJAB COc1cccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 5712153 WSBIZEFWXKVAMB-UHFFFAOYSA-N 412.445 4.706 0 40 HJAB Cc1cc(NS(=O)(=O)c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)no1 6133760 DSZCHOSDUNNHMH-UHFFFAOYSA-N 414.874 4.729 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1C 6270239 JHXYASVLECOHJH-OQLLNIDSSA-N 406.507 4.756 0 40 HJAB Cc1ccc(C)c2sc(N(CCCn3ccnc3)C(=O)COc3ccccc3)nc12 7424776 FYWIZWUOSDGPQC-UHFFFAOYSA-N 420.538 4.612 0 40 HJAB CCc1ccccc1NC(=O)CN(C)C(=O)COc1ccc(Cl)c2ccccc12 8316188 KBBVZIHXKUVWJC-UHFFFAOYSA-N 410.901 4.532 0 40 HJAB O=C(O)[C@H]1CCCN1c1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 8783277 ZLTJKENLHFHCGO-GFCCVEGCSA-N 406.191 4.523 0 40 HJAB biogenic,in-vitro O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccnc2)N1CCc1c[nH]c2ccccc12 8990423 SQRVDKWTCPSVRB-RUZDIDTESA-N 419.488 4.741 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(F)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 9235826 CGTHHUAWOJLGOO-QHAWAJNXSA-N 422.843 4.530 0 40 HJAB Cc1ccc(C(=O)Nc2c(C(=O)NCc3ccccc3)sc3ncccc23)cc1 9482654 XTQRHZFGMMOPBY-UHFFFAOYSA-N 401.491 4.787 0 40 HJAB O=C(CCc1nc(-c2ccsc2)no1)N1CCC[C@@H]1c1nc2ccccc2s1 9516483 NPHMQDRMCIEXTF-OAHLLOKOSA-N 410.524 4.704 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1F 9781903 DAOWTZSCQOHEOJ-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)n2nnc3sc(-c4ccccc4)cc3c2=O)cc1Cl 9971163 JERBJTGZOPDGSH-ZDUSSCGKSA-N 424.913 4.682 0 40 HJAB O=C(NCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc2ccccc2c1 9996113 QKMYVZTXYVRTJA-FQEVSTJZSA-N 415.518 4.543 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 10009706 MEHHCYXMBFKHEM-UHFFFAOYSA-N 406.916 4.763 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 11170488 QAVOLWIHFNXGAA-SFHVURJKSA-N 403.478 4.573 0 40 HJAB COc1cc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)ccc1N1CCCC1=O 12073454 VKLDVFFFQYBTJL-UHFFFAOYSA-N 420.490 4.695 0 40 HJAB Cc1cccc(N(Cc2ccccc2)C(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)c1 12552986 CIVGHDHTDNYBIC-SFHVURJKSA-N 423.538 4.585 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Br)cc1Br 12785623 WHYUAJYCNJKLSL-UHFFFAOYSA-N 408.093 4.874 0 40 HJAB COC(=O)Cc1ccc(OCC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1 12804430 SPQZRKOREDFSQE-UHFFFAOYSA-N 405.450 4.520 0 40 HJAB Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)nn2)n1 13009836 CZHWGTGEORXGSY-UHFFFAOYSA-N 418.888 4.928 0 40 HJAB Cc1c(-c2ccccc2)sc2ncnc(N3CCN(C(=O)c4cccs4)CC3)c12 13117366 HJNDPIVGBASVNW-UHFFFAOYSA-N 420.563 4.691 0 40 HJAB Cc1cc(C(=O)COc2ncnc3sc4c(c23)CCCC4)c(C)n1-c1nccs1 13149109 NYIFXJCJLDXPOB-UHFFFAOYSA-N 424.551 4.696 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 13408972 RPBAJJRDQPLSHK-MWMDTHERSA-N 406.607 4.566 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3c4ccccc4C[C@@H]3C)c2C)cc1 13668633 KXTWDMSDWGJDRB-KRWDZBQOSA-N 420.534 4.696 0 40 HJAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1c(C)cccc1C 14126536 XUYSGOBRJCMHLY-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB CCN1C(SCc2cccc(C(F)(F)F)c2)=NS(=O)(=O)c2ccccc21 15868394 WZYNAVXCOZTOSM-UHFFFAOYSA-N 400.447 4.523 0 40 HJAB O=C(c1ccccc1)N1CCC(NC(=S)Nc2ccc(Cl)cc2Cl)CC1 16705102 MNYRBYFZCYLERT-UHFFFAOYSA-N 408.354 4.585 0 40 HJAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2ccc(Cl)cc2)cc1 17094139 BRCCUYFAWRQLGS-UHFFFAOYSA-N 424.884 4.524 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(C[C@H]2CC=CCC2)C1)c1cccc(F)c1 19400472 QOWLDWRIHCBQLS-PTLVVNQVSA-N 407.533 4.760 0 40 HJAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2ccccc2Cl)C1 19591740 PRHWIWGAUKTEJR-RUZDIDTESA-N 419.956 4.583 0 40 HJAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1cnn(Cc2cccc(F)c2)c1 19718258 VAFOEAPKRDJOAV-UHFFFAOYSA-N 410.836 4.940 0 40 HJAB O=c1[nH]c(CN2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccc(Cl)cc12 23883182 ADDFQFSAAUPMPW-ZDUSSCGKSA-N 410.930 4.566 0 40 HJAB Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N(C)C)cc(=O)c2c1 28289787 NVAQVCNXWDSXKL-NRFANRHFSA-N 420.553 4.740 0 40 HJAB Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N(C)C)cc(=O)c2c1 28289790 NVAQVCNXWDSXKL-OAQYLSRUSA-N 420.553 4.740 0 40 HJAB CN1CCN(c2c(Cl)cccc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 30828132 JFTFEQOCHBUWKQ-UHFFFAOYSA-N 422.356 4.541 0 40 HJAB O=C(CCSc1nnc(-c2ccccc2Br)o1)Nc1ccccc1F 31702549 JAMZOAOFPOGOCI-UHFFFAOYSA-N 422.279 4.759 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)CCc1cccs1 32525096 IMTYNTQTCIYXJT-UHFFFAOYSA-N 401.963 4.854 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)c2sc3nc(C)nc(C)c3c2C)cc1OC 32754677 BXPCUYFCPTZYNO-MRXNPFEDSA-N 411.527 4.611 0 40 HJAB Cc1cc(C)n(-c2cccc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)c2)n1 32915523 DUEYNIAYYPFXDW-UHFFFAOYSA-N 415.472 4.555 0 40 HJAB COc1ccc([C@H](NC(=O)Cn2c(C(F)(F)F)nc3ccc(C)cc32)C2CC2)cc1 35322695 CGDHKBZLAKJTDI-HXUWFJFHSA-N 417.431 4.640 0 40 HJAB COc1ccccc1N1CCN([C@@H](C)C(=O)n2c3ccccc3c3ccccc32)CC1 37100507 USUPQZPLKKDNCA-IBGZPJMESA-N 413.521 4.654 0 40 HJAB CCOc1ccc(-n2nnc(-c3nc(-c4ccc(OC)c(OC)c4)cs3)c2C)cc1 38652117 RQVLEEUAMHSUHR-UHFFFAOYSA-N 422.510 4.782 0 40 HJAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN(Cc3ccc(F)cc3)C1)CC(C)(C)O2 44855211 FEHJMIGOEQMILR-DENIHFKCSA-N 410.533 4.765 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1OCC 44905670 DSPGRHOYKSOWPS-KRWDZBQOSA-N 407.514 4.528 0 40 HJAB COc1ccc(-c2oc(/C=C/C(=O)O)cc2Br)c(Br)c1 57353782 JXQWGJGNRUZCDD-HWKANZROSA-N 402.038 4.578 0 40 HJAB O=C(c1ccc2oc(-c3cc(Cl)cc(Cl)c3Cl)nc2c1)N1CCOCC1 59843018 RQAGERZGTYLUIW-UHFFFAOYSA-N 411.672 4.927 0 40 HJAB Cc1cccc(OC(C)(C)C(=O)N2CCC[C@H]2c2cccc(Nc3nncs3)n2)c1 72375612 XDCSJRWXERDESR-SFHVURJKSA-N 423.542 4.506 0 40 HJAB C[C@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1 85885005 MWBJDDYEYGDWCZ-USARTRBGSA-N 413.646 4.771 0 40 HJAB biogenic,in-vitro COc1cccc([C@H]2SC(C)=Nc3c2c(O)nn3[C@@H]2CCOC(C)(C)C2)c1OC 95480671 OOYQKAXJFIUUGH-FZKQIMNGSA-N 417.531 4.622 0 40 HJAB COC(=O)c1sc(NC(=O)c2cccnc2SC(F)F)nc1C1CCCC1 95939499 BZOWBWYRRNEBHH-UHFFFAOYSA-N 413.471 4.549 0 40 HJAB COc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1O 214788406 KYEWNKMIJJXUJD-LZYBPNLTSA-N 410.278 4.944 0 40 HJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3nc(-c4ccccc4Cl)no3)cc2)C1 219240600 WQUIDTCIFREKOS-MRXNPFEDSA-N 424.932 4.552 0 40 HJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 222986472 FUAJZPRRIQDXAF-KRWDZBQOSA-N 401.528 4.826 0 40 HJAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3CC)ccc21 223115600 GECUODPPEZCATD-UHFFFAOYSA-N 413.543 4.537 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 223814647 GEQJZEYXPHUOHJ-OAQYLSRUSA-N 418.940 4.745 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223918660 IUZXXJSGTCYUPH-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 223966170 YGXPIMLWKCUHHX-UHFFFAOYSA-N 412.486 4.750 0 40 HJAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224076998 NRDKPVZYWPZXNB-HXUWFJFHSA-N 408.586 4.513 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 224633346 RIGRYZJXMBYAJS-QGZVFWFLSA-N 418.990 4.766 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C 225583559 RUTMDOFBJBFNJO-OFNKIYASSA-N 424.585 4.713 0 40 HJAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257227958 FRTALUYYXUBYAO-LJQANCHMSA-N 415.468 4.973 0 40 HJAB O=C(COc1ccccc1F)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257336074 YNAYBAHMZBEGKN-LJQANCHMSA-N 414.864 4.800 0 40 HJAB COc1ccc(NC(=O)COc2ccc(CNc3ccc(C)cc3)cc2OC)cc1 408558665 VCUYCHUXNMISPV-UHFFFAOYSA-N 406.482 4.642 0 40 HJAB COc1ccc(OC)c(N(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 408623205 DTSUZTWTMQLWLB-UHFFFAOYSA-N 417.914 4.753 0 40 HJAB Cc1ccccc1C(=O)NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1 408627632 MUGRKDBKWFHZTR-UHFFFAOYSA-N 401.491 4.608 0 40 HJAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(N3CCCCC3)o2)S1 408810282 PFYIWUBGAAEGKH-UHFFFAOYSA-N 418.926 4.695 0 40 HJAB C[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)c1ccccc1 408972857 WHFHHNCWFWHTPC-AWEZNQCLSA-N 405.325 4.723 0 40 HJAB CCC(CC)NC(=O)CN1CCCCCCCCN(C(C)=O)c2ccccc2C1 643576215 YDKWOLRPOXTYBE-UHFFFAOYSA-N 401.595 4.501 0 40 HJAB CSc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)cc1Cl 1201424241 JSXUATOBGATPNP-UHFFFAOYSA-N 424.353 4.592 0 40 HJAB Cc1cc(OC[C@]2(O)CCCN(C(=O)/C=C/c3ccccc3)CC2)cc(C)c1Cl 1615134634 PWFADOMVKIIAHH-GTCGAKFVSA-N 413.945 4.793 0 40 HJAB COc1ccc(COCc2cccc(NC(=O)N[C@@H](c3cnn(C)c3)C(C)C)c2)cc1 1622986733 VSZRTQBGTFTVJP-HSZRJFAPSA-N 422.529 4.664 0 40 HJAB Cc1cc(OCc2nnc(SCc3cc(=O)[nH]c4ccccc34)o2)ccc1Cl 876105 MXRPMBWNGUIDLO-UHFFFAOYSA-N 413.886 4.744 0 40 HJAB CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4cc(Cl)ccc4O)cc3n2)cc1 994120 ZSYXQUSONFKBMY-UHFFFAOYSA-N 422.872 4.715 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccco1)c1ccc(F)cc1 1380207 VVJVNZAXPRWJRX-JOCHJYFZSA-N 406.457 4.866 0 40 HJAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(C)c(C)c2)cc1 2203298 DXBYAPRKLLUFJY-UHFFFAOYSA-N 400.478 4.768 0 40 HJAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(Cl)s3)c3ccccc32)cc1 4555152 WDXFVPGSPROWFH-QFIPXVFZSA-N 411.910 4.717 0 40 HJAB S=C(NC1CCCCC1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 4967141 MPFMISXLJKAFSS-UHFFFAOYSA-N 421.035 4.793 0 40 HJAB CC(C)c1ccc(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 6346549 FSRFILFDRSYWON-UHFFFAOYSA-N 415.342 4.522 0 40 HJAB CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1 6569596 CGSUSJXJVSANIM-UHFFFAOYSA-N 411.571 4.692 0 40 HJAB O=C(COC(=O)c1cccc(-n2cccc2)c1)Nc1ccccc1Cc1ccccc1 6590653 RZZGIKDSBWFQLK-UHFFFAOYSA-N 410.473 4.864 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1ncnc2sc3c(c12)CCC3 6653608 QFLKGZUBWWMPBM-UHFFFAOYSA-N 405.932 4.573 0 40 HJAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(Br)cc1 6752921 SCZYVZQKIVXKOG-LJQANCHMSA-N 412.287 4.500 0 40 HJAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3cccnc3)o2)c1 6882233 QSKHQWMEKTYOAV-UHFFFAOYSA-N 416.506 4.766 0 40 HJAB COc1ccc(C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)cc1OC 7160693 OVWUCGCUUCCAAJ-UHFFFAOYSA-N 408.401 4.641 0 40 HJAB Cc1ccc2oc(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)cc(=O)c2c1 7313171 UGERDGANWGNRAK-OAHLLOKOSA-N 404.491 4.731 0 40 HJAB COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccn3)c3ccccc3n2)cc1OC 7985643 CYHBEUXBKNUFFF-INIZCTEOSA-N 413.477 4.805 0 40 HJAB CCN(CC)Cc1nc(Sc2nnc(SC)s2)c2c(C)c(C)sc2n1 8200139 MSZFVYRTLLWONM-UHFFFAOYSA-N 411.647 4.875 0 40 HJAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O 8361830 JRIZSAMQKBLQGM-HXUWFJFHSA-N 411.505 4.922 0 40 HJAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCC[C@H]1c1nc2ccccc2s1 9996043 UHOUPGPJYUNBOV-HNNXBMFYSA-N 400.887 4.698 0 40 HJAB O[C@H](CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc2ccccc2c1 12329520 KRNGRCWYIYOIEG-DHIUTWEWSA-N 423.940 4.877 0 40 HJAB Cc1ccc(-c2nc(C)sc2CC(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1 12547400 STKPNBMJCQZHLG-QHCPKHFHSA-N 416.550 4.609 0 40 HJAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 12754746 MSZVOLCPJJCRMY-ZWKOTPCHSA-N 419.550 4.594 0 40 HJAB CC[C@H](Sc1nnc([C@@H](C)Oc2ccc(F)cc2)o1)C(=O)Nc1ccc(F)cc1 12851165 AQUUYFMLDXDEDK-PXAZEXFGSA-N 419.453 4.997 0 40 HJAB Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2C(F)(F)F)cs1 12852290 DKRYYRJWPQNXFT-UHFFFAOYSA-N 424.469 4.889 0 40 HJAB Cc1ccc(O)c(C(=O)c2c[nH]c(-c3nnc4c(Cl)cc(C(F)(F)F)cn34)c2)c1 13109385 HOPMSSVDNJVSKT-UHFFFAOYSA-N 420.778 4.642 0 40 HJAB O=C(Cc1cccs1)N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 15778714 HJZJQRYWVQOMJN-IBGZPJMESA-N 409.898 4.900 0 40 HJAB Clc1ccccc1COc1ccc(Br)cc1CNC[C@@H]1CCCO1 16449949 CTMVKODOQQDHQS-KRWDZBQOSA-N 410.739 4.950 0 40 HJAB COc1c(C)cccc1CN1CCC([C@H](NC(=O)CC(C)C)c2ccccn2)CC1 19235927 SBSYOISJZAMVLC-DEOSSOPVSA-N 409.574 4.514 0 40 HJAB COc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 20610673 VJKDPLDYKPBKBL-UHFFFAOYSA-N 416.481 4.570 0 40 HJAB O=C(Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1ccc2nsnc2c1 21595458 YMMCJSOAEWUPFA-UHFFFAOYSA-N 422.473 4.831 0 40 HJAB O=C(CSCc1ccccc1)Nc1nc(CN2CCc3ccccc3C2)cs1 21681455 MCVLJQUGHXJTEK-UHFFFAOYSA-N 409.580 4.573 0 40 HJAB O=C(COc1ccc(C2SCCS2)cc1)Nc1nc2c(s1)CCCCC2 21902210 INGJYQIMWFUHGJ-UHFFFAOYSA-N 406.598 4.908 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3)ccc2C)cc1 22522964 LPSLJESEWAFVAL-IBGZPJMESA-N 422.550 4.904 0 40 HJAB CCCOc1ccc(-c2csc(NC(=O)CCn3c(=O)oc4ccccc43)n2)cc1 23299145 NJPRZJXADYACND-UHFFFAOYSA-N 423.494 4.536 0 40 HJAB O=c1[nH]c(CN2CCC[C@H](c3nc4ccccc4s3)C2)nc2cc(Cl)ccc12 23883278 HKTFMEMFOZGTTJ-ZDUSSCGKSA-N 410.930 4.566 0 40 HJAB Cc1ccc(C)c(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)n2)c1 24835686 WDEYFKUERDQOQG-MRXNPFEDSA-N 409.511 4.511 0 40 HJAB Cc1cc2oc(=O)cc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)c2cc1Cl 25421835 HXMYLYIOBQUYMC-IBGZPJMESA-N 411.885 4.863 0 40 HJAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)c(C(C)C)cc1Br 32602044 SFQZAQLQZRKJHW-UHFFFAOYSA-N 403.729 4.730 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSCc1cc(=O)c2c(C)cc(C)cc2[nH]1 33064106 BZNVYPMBEFWOKD-UHFFFAOYSA-N 416.930 4.679 0 40 HJAB O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ncc(Cl)cc1Cl 33561423 LKDCFTXZCNDAAF-UHFFFAOYSA-N 417.248 4.976 0 40 HJAB CCCCn1c(=O)c2sccc2n2c(SCc3cccc(Cl)c3)nnc12 35529085 KQNOHRHJCSOJHJ-UHFFFAOYSA-N 404.948 4.852 0 40 HJAB CC(C)[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)N(C)C1CCCCC1 43851937 PFYHTZWTAFFRHL-IBGZPJMESA-N 416.591 4.705 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(CN2CCCCCC2)cc1 44786667 IJLXXSUKPMRELK-UHFFFAOYSA-N 405.542 4.551 0 40 HJAB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1N1C[C@H](C(=O)O)CC1=O 45887778 BEBQJGYCIZTIKW-LLVKDONJSA-N 405.237 4.548 0 40 HJAB CCc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 49545600 WKICFQMMHXPUTN-QHCPKHFHSA-N 420.553 4.776 0 40 HJAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(F)cc3)c3cc(Cl)ccc32)cc1 59272746 IKKMDRFKSIVTSJ-DEOSSOPVSA-N 423.871 4.795 0 40 HJAB O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1Cc1cccnc1 60791781 SBSQVJGUOMIKBY-QFIPXVFZSA-N 415.884 4.892 0 40 HJAB C1CCC2(CC1)O[C@@H]([C@H]1COC3(CCCCC3)O1)[C@H]([C@H]1COC3(CCCCC3)O1)O2 64427922 WGMZNGZBEGHRHH-CGXNFDGLSA-N 422.562 4.582 0 40 HJAB C[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 65519609 VALOPHBMHXOAGE-CQSZACIVSA-N 402.336 4.528 0 40 HJAB CC(C)OCCCn1c(SCc2cc(F)ccc2F)nc2ccccc2c1=O 67259132 WCFHQVXYCPWCBD-UHFFFAOYSA-N 404.482 4.782 0 40 HJAB CC(=O)c1cccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccccc2)c1 71769088 VWXOMQXGAHUHPC-UHFFFAOYSA-N 405.523 4.733 0 40 HJAB COc1cc(-c2nnc(C3(c4cccc(F)c4)CCOCC3)o2)ccc1OC(C)C 71889727 UXYNPAJPCQFXOZ-UHFFFAOYSA-N 412.461 4.768 0 40 HJAB Nc1cc(Cl)c(NC(=O)c2cccc(Br)c2)cc1N1CCCCC1 72229284 BDBMHBBVINHGDU-UHFFFAOYSA-N 408.727 4.927 0 40 HJAB Cn1cc(CN2CCC[C@@H](c3cccc(Nc4ncccn4)n3)C2)c2cc(F)ccc21 72376096 ZCXOZFQRXMMURS-QGZVFWFLSA-N 416.504 4.626 0 40 HJAB Cc1nc(CNC(=O)c2ccn(-c3ccccc3F)n2)oc1-c1ccc(Cl)cc1 79074056 GRYKMEUXZYRORR-UHFFFAOYSA-N 410.836 4.558 0 40 HJAB CCCc1ccc(NC(=O)CNc2cccc(C(=O)N3CCc4ccccc43)c2)cc1 84758993 USIBDWMVJDHKEY-UHFFFAOYSA-N 413.521 4.893 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(OC)c(Cl)c1 89969253 RHMZBSZCTSPJSF-UHFFFAOYSA-N 400.828 4.828 0 40 HJAB Cc1cccc(-c2noc(CNC(=O)CSCc3c(Cl)cccc3Cl)n2)c1 95482231 WKOVPKSQVIDVNX-UHFFFAOYSA-N 422.337 4.901 0 40 HJAB Cc1ccccc1NC(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 96037772 CTQCFUITXUOUNA-UHFFFAOYSA-N 409.493 4.978 0 40 HJAB Cc1cc(NC(=O)[C@@H]2CCCN2c2nc3ccccc3o2)ccc1Br 96122583 SOVSZFSURVSVSD-INIZCTEOSA-N 400.276 4.506 0 40 HJAB O=C(O)c1cccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1 96602363 GFQBHUOARNGAQM-UHFFFAOYSA-N 411.266 4.946 0 40 HJAB Cc1ccc(-n2c(/C(=C\Nc3cccc(Cl)c3)[N+](=O)[O-])nnc2C(F)(F)F)cc1 100136929 CICDAXUGFFWWDD-XNTDXEJSSA-N 423.782 4.935 0 40 HJAB Cc1ccc(-n2ncc(C(=O)N3CC[C@@H]4[C@@H]3[C@@H]4C(F)(F)F)c2C2CC2)cc1Cl 101449319 CDISECXJXZKZIW-FDQGKXFDSA-N 409.839 4.734 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 103150476 ORDAOOOJFRTHML-NILVNCKXSA-N 405.329 4.828 0 40 HJAB CC[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 218988108 CJKUJXSYRSAEGO-QFIPXVFZSA-N 423.534 4.550 0 40 HJAB CCOc1ccc(CCC(=O)N[C@H](CC)c2ccc(OC)c(OC)c2)cc1OCC 219280113 PDSCUHJIMPJEEF-LJQANCHMSA-N 415.530 4.701 0 40 HJAB O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(CN2CCCCCC2)cc1 219964328 LFXNORYLUFDDCO-UHFFFAOYSA-N 424.932 4.696 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 223685231 SDYZBLZXSMGFID-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 223785476 DBWHDQIZNWRTLQ-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225414356 APYCSBOUPHDWJC-QHCPKHFHSA-N 410.533 4.625 0 40 HJAB CCCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C 225876829 HVXLQBZVUPVERB-UHFFFAOYSA-N 402.922 4.909 0 40 HJAB Cc1ccc2c(c1)OC1(CCN(Cc3ccccc3C(=O)O)CC1)[C@H]1CCCO[C@H]21 257210686 BVRYMXHTDMDELE-JTHBVZDNSA-N 407.510 4.588 0 40 HJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C[C@H]2CCCO2)c1 260927648 ZIQKSRZINQKGRX-PTUXOGIPSA-N 418.566 4.548 0 40 HJAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1ccc(Cl)cc1 408953829 YICFGHMCERKBFL-UHFFFAOYSA-N 403.265 4.863 0 40 HJAB Cc1s/c(=N\C(=O)c2ccc(Br)cc2)n(C)c1-c1ccc(F)cc1 409196644 QQEMVAQSDMNCPY-UZYVYHOESA-N 405.292 4.705 0 40 HJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 613377826 VSTZEPDRIZFBNT-IAGOWNOFSA-N 420.384 4.629 0 40 HJAB COc1cc(OC)nc(Oc2ccccc2COC(=O)c2cccc3ccccc23)n1 684961 OAQOPKRAIUDKMK-UHFFFAOYSA-N 416.433 4.796 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)o2)cc1 853590 IMANUPULLFWDLM-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB COc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1OCc1ccccc1C 995893 RPAKCZQQSIVGCH-LDADJPATSA-N 405.475 4.989 0 40 HJAB COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(Br)o2)cc1 1144587 GOWDMCSCCZFOTJ-UHFFFAOYSA-N 415.243 4.555 0 40 HJAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1OCc1ccc(Cl)cc1 1383920 FMRSLHQFDBKMEI-BWWMBTDCSA-N 415.876 4.664 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(c1nc(C)cs1)C3=O 2407692 YAABOMIYSXIPLX-SFHVURJKSA-N 406.438 4.755 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1Cl 2453233 DXJAUQIHAMENNJ-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB COc1ccc(CCNC(=S)N(CCc2ccccc2)CCc2ccccc2)cc1 3347555 QZBYJCQAKKMRCY-UHFFFAOYSA-N 418.606 4.900 0 40 HJAB CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(SC)cc3)N2C1=O 3636757 JOXGTVRRBSEHJW-AEFFLSMTSA-N 418.584 4.646 0 40 HJAB COc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 4512351 STPHRJBNMFMIQH-UHFFFAOYSA-N 412.445 4.706 0 40 HJAB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1cc(OC)ccc1OC 4849348 ZEJGCEKQWJUHLH-UHFFFAOYSA-N 412.511 4.554 0 40 HJAB CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 5673719 XPDHKJJMJIQTOF-WQRHYEAKSA-N 403.887 4.984 0 40 HJAB CCc1ccc2c(c1)C(c1ccncc1)=NNC(c1ccc(Br)cc1)=N2 6134983 IHYMTVWUJZGURH-UHFFFAOYSA-N 405.299 4.840 0 40 HJAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 6553649 YANBFZGERFQDBT-UHFFFAOYSA-N 415.898 4.935 0 40 HJAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCCc4ccsc4)c(C)c3cc12 6624092 PFDZCYKYJBHVNF-UHFFFAOYSA-N 409.507 4.817 0 40 HJAB biogenic Cc1cc(C(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)c(C)s1 7318445 UBAJCBJIDPLFER-UHFFFAOYSA-N 412.584 4.516 0 40 HJAB C[C@H](NC(=O)C(=Cc1ccc(O)cc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 7747013 CDJILDIIGYBPDO-OALUTQOASA-N 414.505 4.530 0 40 HJAB Cc1c(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 7758132 XYSUXNAMCUEWTK-UHFFFAOYSA-N 414.417 4.975 0 40 HJAB COc1ccccc1[C@@H](CNC(=O)c1oc2c(ccc3ccccc32)c1C)N(C)C 7966232 XEJGRBBGHGUZDB-OAQYLSRUSA-N 402.494 4.936 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)c2ccc(OC)c(Br)c2)cc1OCC 8031525 KYRIVZTUKGFZQO-ZDUSSCGKSA-N 422.319 4.746 0 40 HJAB CCN(CC)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c(C)c1 9573705 WGEOFBIUPWZDJJ-UHFFFAOYSA-N 422.554 4.731 0 40 HJAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1C 10009802 AWYOSDRHEHHXRL-UHFFFAOYSA-N 422.550 4.902 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCCCC3)cc2C)cc1 10314367 YKLNFBAGQPXHRQ-UHFFFAOYSA-N 414.571 4.947 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cc1csc(-c2cccc(F)c2)n1 10540793 GLUUXYUQFBGNPL-UHFFFAOYSA-N 406.486 4.933 0 40 HJAB COC(=O)c1ccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)cc1 10748001 UDBRDEVXTDOGBY-UHFFFAOYSA-N 408.435 4.604 0 40 HJAB O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1ccccc1Br 12982705 BPTRUJRJCDDHQU-UHFFFAOYSA-N 411.702 4.845 0 40 HJAB CCCSc1nnc(SCCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)s1 13004849 VJFOXPLDXVZPSE-UHFFFAOYSA-N 423.629 4.777 0 40 HJAB Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(-c2ccc(Cl)cc2Cl)n1 17082141 TXWQNOAJOQJAOG-UHFFFAOYSA-N 401.301 4.597 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)cc2)c1 17082704 UYLQMKISHYJJAH-UHFFFAOYSA-N 403.507 4.683 0 40 HJAB O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1Cl 17092838 YNIQTLRAUCKSCW-UHFFFAOYSA-N 421.909 4.953 0 40 HJAB Cc1cnccc1CN1CCC[C@H]1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1 19239522 QARPJMRDPWWZLG-SFHVURJKSA-N 403.452 4.912 0 40 HJAB CC1CCN(C(=O)c2cc([C@@H]3CCCN(Cc4cccc(Cl)c4)C3)no2)CC1 19496748 LZFUJYCOVZAANP-GOSISDBHSA-N 401.938 4.580 0 40 HJAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)s1 19564018 KFNLKSIUWLCNHW-GFCCVEGCSA-N 424.448 4.643 0 40 HJAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(CCc2ccccc2)C4)cc1 19882457 HNWXMACUDFDAPR-UHFFFAOYSA-N 413.473 4.863 0 40 HJAB biogenic CC[C@@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 20045895 XSWFTEMFQNSZLL-JOCHJYFZSA-N 422.550 4.701 0 40 HJAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(C(=O)O)c(Cl)c1 20144794 AMUJTCWPXJXFOZ-UHFFFAOYSA-N 412.667 4.597 0 40 HJAB CCCOc1ccc([C@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)cc1OCC 20672305 QBWYWEJPXMDWDH-QFIPXVFZSA-N 421.497 4.686 0 40 HJAB CC(C)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2Cl)c2ccccc21 20745147 KRCTZOXJFCNMOR-QHCPKHFHSA-N 420.900 4.806 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2ccc(C)cc2C)cc1 22275357 WTQNVGRWYDCBDW-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1sc2cc(F)ccc2c1Cl 24191599 CYHZFDGMAUYNPW-UHFFFAOYSA-N 418.921 4.803 0 40 HJAB CSCc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)o1 29916820 UTNASPPWDOHFJP-UHFFFAOYSA-N 401.538 4.854 0 40 HJAB COCc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 30517054 LVNUPMVXEUSDQD-UHFFFAOYSA-N 400.272 4.766 0 40 HJAB COc1cccc(CCC(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)c1OC 32721466 YTUKIJHBMJKIST-UHFFFAOYSA-N 415.493 4.898 0 40 HJAB COc1ccc(NC(=O)c2ccc(Br)cc2)cc1OCc1cccnc1 32832164 UFVTYJJPLGVLKR-UHFFFAOYSA-N 413.271 4.684 0 40 HJAB Cn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)nnc1C(F)(F)F 32913798 ZCWHPPCXBLGZQM-UHFFFAOYSA-N 404.870 4.827 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1[nH]c1ccc(F)cc12 33172620 FRPSEIRLGLVSNR-UHFFFAOYSA-N 400.866 4.943 0 40 HJAB CCc1nc2sc([C@H](c3cccc(Cl)c3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 36104805 KNQFVMFTIGUJOB-DCGLDWPTSA-N 404.967 4.780 0 40 HJAB CN(C)C(=O)[C@H](NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1ccccc1 36476317 ISKUUXNONPSLNM-NFBKMPQASA-N 403.551 4.780 0 40 HJAB Cc1ccc(CN2CCC(C(=O)NCc3ccc(CN4CCCCC4)cc3)CC2)cc1 38831239 XDHIFYSRNPUFSH-UHFFFAOYSA-N 419.613 4.509 0 40 HJAB Cc1nccn1Cc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1 38853373 GMZOCMKNJBOJOO-UHFFFAOYSA-N 417.937 4.696 0 40 HJAB Cc1cc(OCCCOc2ccccc2/C=C2/SC(=N)NC2=O)ccc1Cl 41078000 HYSZUKUZXLMEER-LDADJPATSA-N 402.903 4.635 0 40 HJAB Cc1c(C(=O)Nc2nnc(SCc3ccccc3)s2)cnn1-c1ccccc1 53677549 ZJMQUKADRLMGIG-UHFFFAOYSA-N 407.524 4.577 0 40 HJAB O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCc2sccc2[C@H]1c1ccccc1 58055100 ZBCXATASWJDWBZ-NFBKMPQASA-N 421.566 4.835 0 40 HJAB O=C(c1cnc2ccc(F)cc2c1Nc1ccccc1Cl)N1CCSCC1 64471678 ZSYOXAFHHXCZJU-UHFFFAOYSA-N 401.894 4.960 0 40 HJAB COc1ccc(Cl)cc1/N=c1\oc2cc(O)ccc2cc1C(=O)NCc1ccco1 67299335 HONUIUYHTJNVPW-LVWGJNHUSA-N 424.840 4.556 0 40 HJAB Cc1cc(COc2c(F)cc(C[C@@H](C)C(=O)O)cc2F)n(-c2ccc(Cl)cc2)n1 68203223 PAMVQOQTCKJQJK-GFCCVEGCSA-N 420.843 4.955 0 40 HJAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)c(C)c1 68713059 LFSYDGIIKPPUAK-VWLOTQADSA-N 419.908 4.964 0 40 HJAB CN(C(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2O)c1)c1ccccc1 72311412 SGQYBPKBKKFMAR-UHFFFAOYSA-N 414.383 4.940 0 40 HJAB CC(C)COc1ccc(-c2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 72328597 CSUBYUYSTGIYPM-UHFFFAOYSA-N 401.507 4.886 0 40 HJAB COc1ccccc1-c1ccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc1 100149126 SDJJTVJNJWBLPG-GOTSBHOMSA-N 414.549 4.877 0 40 HJAB Cc1c(CO)c2ccccc2n1C(=O)C(C)(C)Oc1ccc(Br)cc1 216931794 HQTNGSOOFOVYRK-UHFFFAOYSA-N 402.288 4.702 0 40 HJAB Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)c1 222702091 IGYNXYVVJUXVGQ-OAQYLSRUSA-N 424.585 4.631 0 40 HJAB COc1ccc(Cl)cc1C(=O)NCCCNc1ccnc2cc(Cl)ccc12 222954457 LABQUXAOCDLEFS-UHFFFAOYSA-N 404.297 4.782 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 222998036 CRSBXFBKTCQAFI-HXUWFJFHSA-N 412.599 4.811 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 223435778 FUPUVMFSUOCGDG-QFIPXVFZSA-N 412.549 4.707 0 40 HJAB CCC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223594164 FDUYKXRSYPTXRA-LAUBAEHRSA-N 400.950 4.605 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 223809387 YLUAODMEHUUTDS-NRFANRHFSA-N 416.562 4.642 0 40 HJAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)c1 224527216 CDVHYSYZXGMLIU-LEWJYISDSA-N 406.555 4.824 0 40 HJAB CCCC[C@@H](CC)CNC(=O)CCCN(c1c(CC)cccc1CC)S(C)(=O)=O 224827264 QATGFJPCCMSTID-LJQANCHMSA-N 424.651 4.690 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 225097973 NOWGGTDVCFXEGY-XMMPIXPASA-N 424.560 4.933 0 40 HJAB S=C(NCCCN1CCc2ccccc2C1)Nc1ccc(OC2CCCC2)cc1 225744014 HNHUJSFJMGXYTM-UHFFFAOYSA-N 409.599 4.743 0 40 HJAB Cc1c(Br)cc(C(=O)Nc2cccc([C@@H](C)O)c2)cc1Br 226274308 XLOLIILAWRPVRH-SNVBAGLBSA-N 413.109 4.826 0 40 HJAB CN[C@@H](C)[C@@H]1[C@H](O)C[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](NC)CC[C@]4(C)[C@@H]3CC[C@]12C 253589694 LNZWKBNRYPYFPA-JKMWNCPLSA-N 404.683 4.838 0 40 HJAB CCc1n[nH]c(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)c1C 257236962 HEPPGNKRCIUGIZ-INIZCTEOSA-N 412.921 4.533 0 40 HJAB C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(Cc3cccnc3)[C@H]1CCCCC(=O)N2 257285412 PGZHXHCOZVGJBG-ONTIZHBOSA-N 417.475 4.865 0 40 HJAB Cc1cc(-c2cncnc2[C@H]2CC[C@H](CNC(=O)[C@@H](C)c3ccccc3)CC2)on1 257338435 YXKAEKNTZIDEGS-BJLQDIEVSA-N 404.514 4.634 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 408626498 HPNNHPPVAZHNIR-UHFFFAOYSA-N 403.507 4.628 0 40 HJAB O=C(O)/C(=C/c1cccc(I)c1)Sc1nc2ccccc2o1 408634368 QEOBUKIARCTKIS-ZROIWOOFSA-N 423.231 4.650 0 40 HJAB CCCCCN1C(=O)S/C(=C\c2cc(Br)c(O)c(OCC)c2)C1=O 409211324 LNHSFKFVVCZYGX-UVTDQMKNSA-N 414.321 4.780 0 40 HJAB CC(C)Cn1ncc(-c2nc(-c3cccc(NC(=O)C(C)C)c3)no2)c1C(F)F 545591868 UVGXYKYKVFYQII-UHFFFAOYSA-N 403.433 4.788 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585148799 HGZFJXGYLFQBRZ-KRWDZBQOSA-N 408.885 4.868 0 40 HJAB CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC(=O)N(C)c2ccccc21 1115876345 PEJPKRYXYZMHGJ-MRXNPFEDSA-N 405.325 4.881 0 40 HJAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)Cc2cccc(C(F)(F)F)c2)nn1 1775975477 HZRPPUSDPFGACF-JWTNVVGKSA-N 420.479 4.532 0 40 HJAB CC1CCN(C(=O)c2nn3c(c2Cl)N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)CC1 675009 CGWDNHDJXRMWKN-DGCLKSJQSA-N 416.831 4.662 0 40 HJAB O=C(Nc1ccc(F)cc1F)[C@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl 706620 RGVBSWONSNTLDM-QWRGUYRKSA-N 424.658 4.914 0 40 HJAB Cc1ccc(OC(=O)c2ccccc2Br)c(-n2nc3ccccc3n2)c1 710832 CFMHPHZULWUIGQ-UHFFFAOYSA-N 408.255 4.711 0 40 HJAB Cc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1C 835249 SMYRLPIWCVDOCS-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 1425254 BOWSCRUZYLRQHG-UHFFFAOYSA-N 422.262 4.782 0 40 HJAB COc1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(OC)cc2)cc1 2156628 XAXWXKBSOOOXDQ-VIINCWQNSA-N 421.537 4.612 0 40 HJAB CC(C)COC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 2256602 PZLVFNRGICBIKL-UHFFFAOYSA-N 408.889 4.681 0 40 HJAB CC(C)COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2621893 YXHFNKTXIQZVBM-CQSZACIVSA-N 409.404 4.924 0 40 HJAB Cc1ccc(-n2c(SCC(=O)c3cccn3C)nnc2-c2ccccc2)cc1C 2631353 HQJZAHUKSYLXNZ-UHFFFAOYSA-N 402.523 4.865 0 40 HJAB CCCCSc1nnc(CSc2ncccn2)n1-c1ccc(OCC)cc1 2706121 CFRYUULNLWBJIL-UHFFFAOYSA-N 401.561 4.641 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1c[nH]c2ccccc12 3250114 KLTCMWSNLMWENH-CQSZACIVSA-N 424.551 4.642 0 40 HJAB CCOc1ccc2ccccc2c1C(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O 4032746 PQBQQOWUXNXBNL-UHFFFAOYSA-N 414.505 4.669 0 40 HJAB O=C(C[C@H](Cc1ccc(Cl)cc1)C(=O)O)NCCC12CC3CC(CC(C3)C1)C2 4698076 LGGFUJZHTJCELL-HJGBXLFDSA-N 403.950 4.696 0 40 HJAB O=C(CSc1nc(-c2ccccc2)[nH]c1-c1ccc(F)cc1)NCc1ccco1 4927702 UXQCREYBIFLJDZ-UHFFFAOYSA-N 407.470 4.884 0 40 HJAB CCOC(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)C1 5146925 SHIKPRWFTKTCPG-QGZVFWFLSA-N 401.466 4.823 0 40 HJAB CCCn1c(S[C@H](C)C(=O)N(C)c2ccccc2)nc2cc(Cl)ccc2c1=O 5568414 SVEVDYCEQJCGGF-CQSZACIVSA-N 415.946 4.604 0 40 HJAB COCCn1c(C)cc(C(=O)CSc2nc(C)nc3sc(C)c(C)c23)c1C 5822776 PZYWHUMAIPIMSC-UHFFFAOYSA-N 403.573 4.656 0 40 HJAB COc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1 6951653 CCPTYGGQJIKNFS-WJDWOHSUSA-N 415.415 4.860 0 40 HJAB CCOc1ccc(C[C@@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCC)c1 6961787 MVHZTGPHDMFPLD-SFHVURJKSA-N 405.903 4.949 0 40 HJAB CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 6963765 WCLLQZMLYJXOOU-UHFFFAOYSA-N 400.482 4.997 0 40 HJAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cc(-c2ccco2)nc2ccccc12 6989241 NWHFPRHOTKRPMF-HSZRJFAPSA-N 412.445 4.672 0 40 HJAB COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cc(C)sc2C)cs1 7763261 YUSDJDCGLXWADZ-UHFFFAOYSA-N 416.524 4.872 0 40 HJAB Cc1ccccc1-c1nnc(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1C 7834752 IXJCWFCLLYUHKC-QGZVFWFLSA-N 420.582 4.639 0 40 HJAB CCN1CCN(c2ccccc2NC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)CC1 7987524 ODUZCKSXNSXCIJ-LJQANCHMSA-N 417.553 4.733 0 40 HJAB CC(=O)N[C@@H](CC(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1)c1ccccc1 7990910 YIGJOCFYXWTCLO-IBGZPJMESA-N 408.527 4.535 0 40 HJAB COc1ccc(OCc2nnc(SCc3cscn3)n2-c2ccccc2)cc1 8156502 ANFCUCJESRFDQZ-UHFFFAOYSA-N 410.524 4.604 0 40 HJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc2ccccc2c1 8412834 MNROIPVABSJMLL-UHFFFAOYSA-N 401.293 4.786 0 40 HJAB Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)Nc2ccccc2C)n1 9250028 ARZXUERURALHBV-UHFFFAOYSA-N 405.523 4.990 0 40 HJAB Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccccc4Cl)c3C)ns2)cc1C 9638672 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COc1ccc(-c2nc(CC(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)cs2)cc1 13731571 FDENCJIVKDISNQ-HNNXBMFYSA-N 405.523 4.590 0 40 HJAB COc1cc2sc(NC(=O)c3ccc(Br)cc3)nc2c2cccnc12 13733178 VMVAGWAYIQDKBJ-UHFFFAOYSA-N 414.284 4.868 0 40 HJAB Cc1ccc(NC(=O)Cc2nc(-c3cc(C)n(C[C@@H]4CCCO4)c3C)cs2)cc1 14168242 JPRQJCQDPAWBLE-IBGZPJMESA-N 409.555 4.897 0 40 HJAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1 19348957 SWDNPTPLKQAUPZ-PXDATVDWSA-N 409.549 4.871 0 40 HJAB CCC(=O)N1CCC[C@@H](c2cc(Oc3cccc(F)c3)nc(-c3ccncc3)n2)C1 19498727 MCSLWCXUVNLSFM-QGZVFWFLSA-N 406.461 4.586 0 40 HJAB CN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccc(Cl)cc2)S1(=O)=O 20063408 PJLAYJFVVRYPLL-UHFFFAOYSA-N 424.909 4.518 0 40 HJAB Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)sc21 20616946 NSPNUWKZHQOGNU-UHFFFAOYSA-N 416.428 4.892 0 40 HJAB CCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2ccc(CC)cc2)n2c1nc1ccccc12 20638335 AOPMPPGJEYOLEU-YADHBBJMSA-N 419.525 4.514 0 40 HJAB CSc1nc(C)c(CCC(=O)Nc2ccc(Br)cc2Cl)c(C)n1 24969153 FDRXOMYLTAZTHN-UHFFFAOYSA-N 414.756 4.803 0 40 HJAB COc1cc(C(=O)Nc2ccc(C)c3ncccc23)cc(OC)c1Br 24989657 YTXFRHVTTIFIEK-UHFFFAOYSA-N 401.260 4.575 0 40 HJAB CCSc1ncc(Br)c(C(=O)Nc2ccc(Cl)cc2Cl)n1 27743168 MHYMYHBRWGBYHR-UHFFFAOYSA-N 407.120 4.910 0 40 HJAB Cc1cc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)ccc1Cl 33014493 JRTZPUQTNQNGDB-UHFFFAOYSA-N 415.946 4.766 0 40 HJAB CCOc1ccc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N=C2O)cc1OCC 33732859 INKIZHXRHRWJMI-QGOAFFKASA-N 424.522 4.718 0 40 HJAB CCC(CC)c1cc(C)nn2c(-c3sc(N4CCOCC4)nc3Cl)c(C)nc12 34661491 PHKJVUUMSPASRG-UHFFFAOYSA-N 419.982 4.863 0 40 HJAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 44852672 DIICXXXABWXOGN-NRFANRHFSA-N 414.549 4.751 0 40 HJAB Cc1ccc2c(Nc3ccc(Br)cc3)c(C(=O)N3CCCC3)cnc2n1 49004581 HQMQMQBGSNLGMU-UHFFFAOYSA-N 411.303 4.680 0 40 HJAB CC(C)CCn1c(SCC(=O)Nc2cc(F)ccc2F)nc2ccsc2c1=O 57426048 ZIFKQLSPTCXLNZ-UHFFFAOYSA-N 423.510 4.513 0 40 HJAB Cc1c(C(=O)N2c3ccccc3N(C(=O)OC(C)(C)C)C[C@H]2C)oc2c1C(=O)CCC2 72305141 GWDPOTNIXXVYEE-CQSZACIVSA-N 424.497 4.897 0 40 HJAB COc1ccccc1OCCc1cc([C@H]2CCN(C/C(C)=C/c3ccccc3)C2)n[nH]1 72371557 CTKUNJVSUCVAOV-PTMWEUFISA-N 417.553 4.933 0 40 HJAB COc1ccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c(OC)c1 102738486 PXVWUDVTKJICNL-WYRIXSBYSA-N 424.482 4.777 0 40 HJAB O=C(NCc1ccc([C@H](O)c2ccco2)s1)C1c2ccccc2Oc2ccccc21 206684939 WFSJYQCAYWEMTC-HSZRJFAPSA-N 417.486 4.977 0 40 HJAB O=C(c1nccc2ccccc12)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 220700918 BLMPPACWJVEJGE-MRXNPFEDSA-N 416.456 4.519 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 223058263 CFSVJFNTNLLPGX-JKSUJKDBSA-N 421.368 4.868 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 223177677 LOTOWSZTYWGBRT-IBGZPJMESA-N 414.977 4.833 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 223656076 XOHOQOGPYFKKCW-JOCHJYFZSA-N 412.599 4.811 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 223686595 QEWSMRQQHGBWLS-XMMPIXPASA-N 424.585 4.714 0 40 HJAB COc1ccc(CCNC(=O)c2ccc(OC)c(CSc3ccccc3)c2)cc1 224322410 QSOXQWAOZZBMJF-UHFFFAOYSA-N 407.535 4.969 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 224778755 LXUDUSWBOWEQDP-KRWDZBQOSA-N 418.990 4.766 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(Br)c2)c(I)c1 225009900 OQEZSQLSAXLTKR-UHFFFAOYSA-N 416.056 4.614 0 40 HJAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1C 225147954 GFGONCUOOKXWHP-FGZHOGPDSA-N 420.538 4.817 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 225535697 JASYKGXBJQLBSE-QGZVFWFLSA-N 418.990 4.515 0 40 HJAB COC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCCC2)ccc1OC 225765103 IAOQCKLPAQKDGK-UHFFFAOYSA-N 401.890 4.976 0 40 HJAB O=C(NCC[C@@H]1CCCCN1C(=O)C1(c2ccc(F)cc2)CCCC1)c1ccccc1 257217820 DATLNXXXYGLTTD-QHCPKHFHSA-N 422.544 4.839 0 40 HJAB O=C(COc1ccc(F)cc1F)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257225383 FFYKPDUSTKMFJW-HXUWFJFHSA-N 412.436 4.676 0 40 HJAB CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccccc1OC 408558322 SYUDJUYVSROABD-UHFFFAOYSA-N 406.482 4.724 0 40 HJAB CCc1nnc(S/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)O)o1 408632259 PKHWNZOXBLKHQG-ODLFYWEKSA-N 423.469 4.992 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)NCCC(c3ccccc3)c3ccccc3)CC2=O)cc1 408708586 QUNCKQQGQIHMLP-QHCPKHFHSA-N 412.533 4.686 0 40 HJAB Cc1nc(CC2CC2)oc1-c1nc(Cc2ccc(OCc3ccccn3)cc2)no1 554794711 NTZDJQIDUBJLFA-UHFFFAOYSA-N 402.454 4.550 0 40 HJAB CCOc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc3ccccc23)cc1 1207796 LKPTYTDGCNXEMY-QFIPXVFZSA-N 401.466 4.505 0 40 HJAB O=C1C=C(N2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(Cl)cc1 1441836 LMSLZTHKUOVPTR-UHFFFAOYSA-N 423.925 4.586 0 40 HJAB c1ccc(C[C@@H](CCNCc2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)cc1 1824702 UWNSISRMZOSORT-OAQYLSRUSA-N 403.478 4.650 0 40 HJAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Br)cc3Cl)ccc12 2092161 JWICTIIRXVKDJY-UHFFFAOYSA-N 422.662 4.535 0 40 HJAB biogenic CCCCCCOC(=O)c1ccc(N[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 2271318 CONREPWKWWRCCM-NRFANRHFSA-N 413.470 4.722 0 40 HJAB CC(C)(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2414548 QZFHWIGNZAQFCY-GCJKJVERSA-N 417.505 4.815 0 40 HJAB COc1cccc(OC)c1-c1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1 2414591 MWGLYKRCCVMBSB-UHFFFAOYSA-N 407.282 4.844 0 40 HJAB O=C(OC1CCCCCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 2651873 PARIQVUEQIBRKK-UHFFFAOYSA-N 413.539 4.708 0 40 HJAB Cc1cccc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2)C3=O)c1C 2716347 BFEGDSQYXXMYJE-UHFFFAOYSA-N 414.505 4.519 0 40 HJAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(Br)cc2)c1 2723017 KCZATNOERSHQSC-UHFFFAOYSA-N 402.317 4.674 0 40 HJAB COc1ccc(NC(=O)[C@@H](Nc2ccc3c(c2)OCO3)c2ccccc2)cc1Cl 3354499 YRWRXVKWBMBPIO-NRFANRHFSA-N 410.857 4.869 0 40 HJAB CC[C@@H](C)Sc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1C 4062265 VJGVRTRTBQBPIO-OAHLLOKOSA-N 410.568 4.891 0 40 HJAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2cccc3ccccc23)NC(=S)N1 4262963 MUONHKGMEUWOSK-QFIPXVFZSA-N 401.535 4.888 0 40 HJAB CNC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CCCC2 4348799 LLLNCSNJEUCVBV-UHFFFAOYSA-N 404.535 4.757 0 40 HJAB Cc1ccc(/C=C/C(=O)NCCCCCCNC(=O)/C=C/c2ccc(C)cc2)cc1 4523389 KZTDMQYWPNRVTJ-YTEMWHBBSA-N 404.554 4.823 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nccn(-c3ccc(C)c(Cl)c3)c2=O)c1 4853076 ARNDIXZBLWGITI-UHFFFAOYSA-N 413.930 4.542 0 40 HJAB COc1cc2nc(NCc3ccccc3)n3nc(-c4ccccc4)nc3c2cc1OC 5055234 SVXVCXSOYWWPHD-UHFFFAOYSA-N 411.465 4.574 0 40 HJAB COc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)C2)cc1 5359630 KKQVXHHNGCODNA-JOCHJYFZSA-N 401.422 4.595 0 40 HJAB CC1=C(CC/C(C)=C\CCC2=CC[C@H](C3=CC(=O)O[C@@H]3O)O[C@H]2O)C(C)(C)CCC1 5663735 FGJIDQWRRLDGDB-VXXCOBBESA-N 416.558 4.855 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1 6433172 TUWHFCDZIBYEGF-UHFFFAOYSA-N 422.550 4.560 0 40 HJAB Cc1cccc(-c2noc(CN(C(=O)c3ccc4c(c3)OCO4)C3CCCCC3)n2)c1 7759766 LBEMKSLJQIXVAJ-UHFFFAOYSA-N 419.481 4.749 0 40 HJAB C[C@H](Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1)C(N)=O 8316183 RZCXLILWVYMZJB-NSHDSACASA-N 410.886 4.571 0 40 HJAB COc1ccc(C[C@@H](NC(=O)Cc2c[nH]c3ccccc23)c2ccc(OC)cc2)cc1 8326432 DUHPROXAQCUGKE-RUZDIDTESA-N 414.505 4.828 0 40 HJAB COc1ccc(C(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)cc1F 8851853 HRVLVXLYPFCDPG-UHFFFAOYSA-N 409.457 4.694 0 40 HJAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCCC1)c1ccc(-c2ccccc2)cc1 8900173 DAXPUFGYJWEVDT-QFIPXVFZSA-N 412.580 4.531 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)c1C 8918806 FIHSUSDQCWBQEK-UHFFFAOYSA-N 414.893 4.588 0 40 HJAB CCCn1nc(NS(=O)(=O)c2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21 9332707 BOQCSEYLCFJNGE-UHFFFAOYSA-N 414.918 4.757 0 40 HJAB COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(F)cc2)cc1OC 9347856 ACZLFLHXIRYTNN-UHFFFAOYSA-N 419.408 4.869 0 40 HJAB O=C(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 9588394 XPTWOQNXIVSTAL-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4cc(OC)cc(OC)c4)sc3n2)cc1 10069246 HQFDGDCWAVGEIJ-UHFFFAOYSA-N 423.494 4.649 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccccc2)cc1 12507944 PNKXSFSYPNUWHM-GOSISDBHSA-N 408.523 4.629 0 40 HJAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1OC(C)C 12750067 GNQZTJIPKCPPOQ-WUTDNEBXSA-N 423.509 4.631 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)[C@@H]1CCCN1C(=O)c1ccccc1 12770133 VDFVWTBOXZXCMN-NRFANRHFSA-N 417.534 4.542 0 40 HJAB Cc1nc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)nn1-c1ccc(F)cc1 12820040 DMIYUKHUMYMSKU-GOSISDBHSA-N 421.501 4.692 0 40 HJAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(Br)cc3)cs2)cc1 12863650 JHHPAKHNRLZAKL-UHFFFAOYSA-N 417.328 4.974 0 40 HJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(I)c1 12916237 LWFPVLSHZWMWCD-NSHDSACASA-N 422.291 4.734 0 40 HJAB C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)[C@H](O)C[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C 13432975 XFTFIFNAWKMLKL-MIIFNERISA-N 422.949 4.753 0 40 HJAB biogenic,in-vitro O=C(O)C[C@@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 13828181 VGYFMXBACGZSIL-VVZAMHAXSA-N 421.468 4.518 0 40 HJAB investigational CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3)n2CC)cc1 13871518 ZOLAFGAGGKXVGO-INIZCTEOSA-N 410.543 4.731 0 40 HJAB CC(C)O[C@H]1c2ncc(-c3ccccc3)cc2Sc2nc(-c3cccnc3)nn21 19450388 WBSAAHKYRJIBID-NRFANRHFSA-N 401.495 4.839 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cc1 19554167 LCTGIGUJNNBXRB-OAHLLOKOSA-N 417.431 4.539 0 40 HJAB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)o1 19928398 OPARGTZTPPWCJL-UHFFFAOYSA-N 421.478 4.541 0 40 HJAB O=C(NCCC1=CCCCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 20062099 XRRCJQYANXNRJX-UHFFFAOYSA-N 424.994 4.525 0 40 HJAB S=c1[nH]nc(-c2ccncc2)n1NCc1ccccc1OCc1ccc(Cl)cc1 22110539 GGHURLASMDOGHF-UHFFFAOYSA-N 423.929 4.979 0 40 HJAB Cc1nc(C(C)(C)C)nc2sc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c(C)c12 22508467 IRACKSAOSDRIMI-UHFFFAOYSA-N 422.554 4.985 0 40 HJAB O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1cncc(Br)c1 22615225 QMOCSHZQGSEFCO-UHFFFAOYSA-N 409.589 4.691 0 40 HJAB COc1cc(C2SCCS2)ccc1OC(=O)c1cc(Cl)c2c(c1)OCCO2 25730211 FODFLQIUQCODPC-UHFFFAOYSA-N 424.927 4.818 0 40 HJAB Cc1ccc(-n2cnnc2SCC(=O)N2CCC(CCc3ccccc3)CC2)cc1 26666506 MXQSGPFUKMXBMZ-UHFFFAOYSA-N 420.582 4.539 0 40 HJAB COc1ccc2nc(NC(=O)c3ccc(Cn4nc(C)c(Cl)c4C)o3)sc2c1 27981173 FQDCRQOIHYPWOM-UHFFFAOYSA-N 416.890 4.665 0 40 HJAB Cc1cccc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@H]2c2ccc(F)cc2)c1 28048122 XRVAASKHPVYDLQ-JOCHJYFZSA-N 408.860 4.971 0 40 HJAB O=C(NCCC/C(=N/O)c1ccccc1)c1cc(-c2cccnc2)nc2ccccc12 30795636 CBWIWHBYXYIDBB-IADYIPOJSA-N 410.477 4.685 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2cccs2)C1 32988693 CVIGMCQVVALQMI-SJLPKXTDSA-N 402.947 4.617 0 40 HJAB COC(=O)c1ccc(/C=C2/SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1 33752233 CWOUKFMAKZXQQX-RQZCQDPDSA-N 416.886 4.541 0 40 HJAB COc1ccc(OC)c(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c1 38834764 ZULJKLRUQWNWCW-HNNXBMFYSA-N 423.340 4.861 0 40 HJAB CN(C)[C@@H](CNC(=O)c1ccccc1SC[C@@H]1CCCO1)c1ccccc1Cl 40047562 NWEFIXPIUWHVQA-JXFKEZNVSA-N 418.990 4.644 0 40 HJAB C[C@H](c1ccccc1Cl)N(C(=O)C1CCN(C(=O)c2ccco2)CC1)C1CC1 40070292 UXVDYBJCEPABQB-OAHLLOKOSA-N 400.906 4.537 0 40 HJAB CCc1cccc(C)c1NC(=O)CSC1=Nc2ccccc2NC(CC(=O)OC)=C1 49421650 IQHPDGDODPZNOV-UHFFFAOYSA-N 423.538 4.832 0 40 HJAB CSCc1nc2ccccc2n1CC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 58297235 SJAPAPKBQXLRDI-NRFANRHFSA-N 405.567 4.968 0 40 HJAB CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1nc2ccccc2[nH]1 68785514 KYBKPYPWDONTIU-ACJLOTCBSA-N 416.319 4.606 0 40 HJAB CCN(CC)Cc1nnc2sc(-c3cc(-c4cccs4)nc4ccccc34)nn12 71260575 ZUABJZWGMNVOOD-UHFFFAOYSA-N 420.567 4.971 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Br)cc2)n2nc(C)cc2N1 72332695 SDKWNTAWASBBBH-HXUWFJFHSA-N 423.314 4.882 0 40 HJAB Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)c3ccc(N(C)C)cc3)C2)n1 72350695 HAXIYLDOFCIFTL-GOSISDBHSA-N 406.555 4.599 0 40 HJAB C[C@H]1CCc2onc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccc(Cl)cc3)c2C1 72396986 JJRHFXFKYMQIRY-LIRRHRJNSA-N 424.932 4.505 0 40 HJAB CC(C)CS(=O)(=O)CCC(=O)N(C)[C@H](c1csc2ccccc12)[C@@H]1C[C@@H]1C 89922053 JHCZQUCWXFTZIO-XPIZARPCSA-N 407.601 4.518 0 40 HJAB O=C(C[C@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21)NCC1CC1 96053090 DIUZCCHLTVDQGY-FQEVSTJZSA-N 410.583 4.565 0 40 HJAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)Nc5cccnc5)cc34)co2)cc1 96154284 ZYVLPJQKLSAVNI-UHFFFAOYSA-N 412.405 4.806 0 40 HJAB Cc1sc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)nc1-c1ccc(Cl)cc1Cl 102342677 ZYJKAIFSLASNEB-CHPZLBCBSA-N 423.321 4.887 0 40 HJAB COc1ccc([C@@H]2CC3=Nc4nonc4N[C@H](c4ccc(OC)cc4)C3=C(O)C2)cc1 102751383 QHGRGAQCABWDTJ-QVKFZJNVSA-N 418.453 4.716 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)cc1 136693918 LNJWLEAQFHWGMC-ZNOIYHFQSA-N 410.901 4.826 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC)cc1 222769740 SMNFZPIJYIOCGU-HNNXBMFYSA-N 421.368 4.652 0 40 HJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 222986420 FUAJZPRRIQDXAF-QGZVFWFLSA-N 401.528 4.826 0 40 HJAB COc1cc(C)c([C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1C(C)C 223271267 NPCKNIGPMHNGEZ-HNNXBMFYSA-N 401.503 4.644 0 40 HJAB Cc1cc(NC(=S)NCC2(c3ccccc3)CCCC2)ncc1Br 223972221 JCBPYKHJAFJACX-UHFFFAOYSA-N 404.377 4.951 0 40 HJAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 224421071 XOHVAVPJRQOSHG-FGZHOGPDSA-N 415.497 4.584 0 40 HJAB O=C(COc1cccc2c1CCCC2)NCCSCc1c(F)cccc1Cl 224636466 QCMLGEMXSYYQMP-UHFFFAOYSA-N 407.938 4.786 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCc2ccc(OC(C)C)cc2)cc1Cl 225447463 GAEPSGLJBBGMLK-UHFFFAOYSA-N 406.935 4.791 0 40 HJAB CC(c1ccccc1)(c1ccccc1)n1nnnc1-c1ccccc1Br 390822488 ASCJIPMWEHQIMA-UHFFFAOYSA-N 405.299 4.914 0 40 HJAB CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585272689 MCBUFSAPYCFXOD-YFVAEKQCSA-N 417.864 4.658 0 40 HJAB COc1ccc(-c2cc(C(=O)NCCOc3ccccc3-c3ccccc3)n[nH]2)cc1 1583623537 QKHIXAVDZYZISY-UHFFFAOYSA-N 413.477 4.561 0 40 HJAB Nc1ncc(-c2ccccc2)c([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)n1 1848355231 DQIGFNNDPZYEQF-JOCHJYFZSA-N 411.509 4.503 0 40 HJAB COc1ccccc1C(=O)N[C@@H](Nc1cc(C)ccc1C)C(Cl)(Cl)Cl 808600 AYZRPBQSVIEEFM-QGZVFWFLSA-N 401.721 4.850 0 40 HJAB Cc1c(O)ccc2c1O[C@@]1(C[C@@H]2c2ccccc2Cl)CC(C)(C)NC(=S)N1 875564 CIODQKZTZULPIE-VFNWGFHPSA-N 402.947 4.611 0 40 HJAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(O)cc1 886688 QRLJUXFLRQVHOC-UHFFFAOYSA-N 404.495 4.555 0 40 HJAB COC(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 990315 XXYYNFAMJZWMOT-UHFFFAOYSA-N 419.047 4.887 0 40 HJAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O 993264 KYWMTFHBMWEDQH-JSGCOSHPSA-N 421.722 4.651 0 40 HJAB Brc1cccc(-c2nnc(SCc3ccon3)n2-c2ccccc2)c1 1074125 LKEPSWXHYUYUTJ-UHFFFAOYSA-N 413.300 4.977 0 40 HJAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(N[C@H](CC)CO)ncnc32)cc1 1447731 PCOCZDLXNHUKPS-GOSISDBHSA-N 402.498 4.669 0 40 HJAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)Nc4c(F)cccc4F)c23)C1 1465342 CMAUAMKYABGOCR-SNVBAGLBSA-N 405.495 4.825 0 40 HJAB CCCCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@@H](C)C(=O)OCC 2029209 IMMIMLBZICLAAC-AWEZNQCLSA-N 415.511 4.898 0 40 HJAB COc1cc(C(=O)OCc2ccc(C)cc2)cc(NC(=O)c2cccs2)c1OC 2642259 WDFIJCBTBYALCU-UHFFFAOYSA-N 411.479 4.683 0 40 HJAB CCn1cc(-c2ccnc(SCC(=O)Nc3c(Cl)cccc3Cl)n2)c(C)n1 2731605 MQUSCEAKEVENNM-UHFFFAOYSA-N 422.341 4.706 0 40 HJAB COc1ccc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1Cl 3345859 ZFBPRNDIUSIAEJ-UHFFFAOYSA-N 413.832 4.736 0 40 HJAB COc1cc2c(cc1OC)CN(c1ncnc3scc(-c4ccccc4)c13)CC2 3365391 FWSQJMLUYZGPTA-UHFFFAOYSA-N 403.507 4.938 0 40 HJAB CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccc(C)cc3)N2C1=O 3636786 GLKVUAJFDILJOY-CTNGQTDRSA-N 420.534 4.777 0 40 HJAB Cc1cccc(-n2nc3c(c2NC(=O)c2cccc4ccccc24)C[S@](=O)C3)c1C 4224970 VZNBUMSFTHHNAK-SSEXGKCCSA-N 415.518 4.657 0 40 HJAB CC(=O)Nc1ccc(NC(=O)CCCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 4433302 IELQRTRXKQECIJ-UHFFFAOYSA-N 420.513 4.954 0 40 HJAB COc1ccc(-c2nnc(S[C@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)o2)cc1 4475382 NYXJFXJPUFQGIG-LLVKDONJSA-N 414.512 4.513 0 40 HJAB CCc1cc(I)ccc1NC(=O)c1ccc(OC(C)C)cc1 4703988 GFQJDRBVKDRAQC-UHFFFAOYSA-N 409.267 4.893 0 40 HJAB CCCc1cc(=O)[nH]c(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 5126466 ALLGUJNTAHLONN-UHFFFAOYSA-N 409.536 4.644 0 40 HJAB O=C(c1nc2ccccc2s1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 5181235 CFVDDNFQFPIMTL-UHFFFAOYSA-N 414.943 4.522 0 40 HJAB COc1ccc(Br)c(C(=O)Nc2ccc(Br)cc2F)c1 6377204 GWONRUMBSXFCSS-UHFFFAOYSA-N 403.045 4.612 0 40 HJAB Cc1cc2oc(=O)cc(C)c2cc1O[C@H](C)C(=O)Nc1ccc(Br)cc1 6922352 CJDZPHZDIOAGFL-CYBMUJFWSA-N 416.271 4.578 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cccnc1Cl)c1ccccc1 6929499 NBIRRGHTJKUEOV-IBGZPJMESA-N 410.857 4.589 0 40 HJAB CC[C@H](C)Oc1cccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 7389877 BCBZMOBGGUOZFD-INIZCTEOSA-N 401.466 4.997 0 40 HJAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 7607202 WXXWORPXSCHHCB-AEFFLSMTSA-N 411.546 4.662 0 40 HJAB C[C@H]1CCc2sc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc2C1 7814277 YLBFGJZECWIHIE-NSHDSACASA-N 406.433 4.725 0 40 HJAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 7881797 WZFIZRNHRGTTRH-HXUWFJFHSA-N 400.478 4.775 0 40 HJAB COc1ccc(N(Cc2cccs2)C(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 8040052 GXSOUNBNGJMATO-JOCHJYFZSA-N 408.523 4.557 0 40 HJAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1)c1ccco1 8073434 MLFHWWWVCDSICO-QHCPKHFHSA-N 410.473 4.926 0 40 HJAB CCc1ccc(NC(=O)COc2ccc(C(=S)N3CCCC3)cc2Cl)cc1 8086102 YGBZXQURYQVILH-UHFFFAOYSA-N 402.947 4.691 0 40 HJAB Cc1ccc(C(=O)OCc2ccc(Br)cc2)cc1NC(=O)c1ccco1 8185592 PZUMNBPBYQYPGP-UHFFFAOYSA-N 414.255 4.960 0 40 HJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 8480532 SWYNXPUMGXHBTQ-FQEVSTJZSA-N 410.514 4.508 0 40 HJAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1ccco1 8923566 FTTPZRQMUKLINN-NRFANRHFSA-N 416.260 4.594 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 9062973 YXKXKHSXLYWCOG-UHFFFAOYSA-N 408.542 4.803 0 40 HJAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1CCSc1ccc(F)cc1 9154287 UJLURRLNNGZNSZ-XMMPIXPASA-N 420.509 4.608 0 40 HJAB Cc1sc2nc([C@@H](C)Sc3nnc(NCc4ccco4)s3)[nH]c(=O)c2c1C 9724127 ITJQONGHPQLPHK-SNVBAGLBSA-N 419.557 4.511 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)c(C)c3)cc2)c(C)c1 10009805 RCNVMQPBAIQKRW-UHFFFAOYSA-N 422.550 4.902 0 40 HJAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)c2ccc3ncccc3c2)C1 12144391 WOXDXLZNUPTYRX-QFIPXVFZSA-N 409.493 4.530 0 40 HJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(OC(F)(F)F)cc1 12884938 SMSILNAIEUHOAC-UHFFFAOYSA-N 424.400 4.730 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 12936983 DOTAWEKLSPEVFN-HXUWFJFHSA-N 420.465 4.526 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)COc2ccc(Cl)cc2Cl)c(OC)c1 12947504 PZLIFYCGLPBPRW-QGZVFWFLSA-N 410.297 4.753 0 40 HJAB Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nn2)n1 13009838 VSQRPRYASLBQAE-UHFFFAOYSA-N 418.888 4.928 0 40 HJAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 13010714 PPJJDTQKPDSDER-GOSISDBHSA-N 403.526 4.564 0 40 HJAB CC(C)c1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 13074255 ZZFZPKWYXQGXLU-UHFFFAOYSA-N 422.447 4.683 0 40 HJAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1C 14123305 FOGSLBUORYJYPZ-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB CCc1nc2sc([C@H](c3ccc(C(F)(F)F)cc3)N3CCC[C@@H](C)C3)c(O)n2n1 16690048 FBNLDIQREBTOAP-WBMJQRKESA-N 424.492 4.899 0 40 HJAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@H](C)c3ccccc3)C1)N2 19127386 SNAIHGDBIWYVPQ-OQIJWPOYSA-N 420.479 4.521 0 40 HJAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 19219224 BNUYXGDPPAFICD-DHIUTWEWSA-N 409.570 4.677 0 40 HJAB O=C(COc1ccccc1F)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19350188 ADCQNWBDZZAOQS-CYBMUJFWSA-N 421.394 4.506 0 40 HJAB O=C1CSc2ccc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)cc2N1 24384343 KXTSLLULCXIXHP-MRXNPFEDSA-N 409.536 4.708 0 40 HJAB CCC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 24977919 CWBRFSASRUHUSM-LIRRHRJNSA-N 407.341 4.639 0 40 HJAB Cc1cccc(C)c1-c1cs/c(=N\c2cccs2)n1CCCN1CCOCC1 27788891 OJAMZJQHLJCOBR-FCQUAONHSA-N 413.612 4.850 0 40 HJAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Cn2cc(Br)cn2)cc1 27970021 UGFUZVJRNJGIDJ-HXUWFJFHSA-N 410.315 4.501 0 40 HJAB Cc1cc2nc(C)c(CCC(=O)Nc3cccc(C4SCCS4)c3)c(C)n2n1 28689733 ZIMKFBQDXGQCGG-UHFFFAOYSA-N 412.584 4.704 0 40 HJAB O=C(/C=C/c1ccc(-c2ccccc2)s1)NC[C@H](c1cccs1)N1CCOCC1 29844202 WKWHHJNVYVTOGH-WAEYIKQSSA-N 424.591 4.680 0 40 HJAB C[C@H]1Sc2ccc(C(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)cc2NC1=O 29848595 QCKYHHUAPHTDJB-IERDGZPVSA-N 414.530 4.907 0 40 HJAB CSc1ccccc1NC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 32691275 QMUPHVFHPBKMJK-LBPRGKRZSA-N 419.597 4.584 0 40 HJAB Cc1nc(-c2ccccn2)sc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32747550 MOJJBOYOKQTXAO-UHFFFAOYSA-N 421.522 4.827 0 40 HJAB O=C(NCc1ccccc1OC(F)F)c1cccc(NC(=O)c2ccc(F)cc2)c1 32914407 UNXBIQNLBCGABX-UHFFFAOYSA-N 414.383 4.609 0 40 HJAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(CN2CCCCCC2)cc1 38831666 HAJIGMGOIIUOJJ-UHFFFAOYSA-N 419.613 4.979 0 40 HJAB Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@@H](c1ccccc1Cl)N(C)C 40103838 DUAWVWQHYQQSEM-NRFANRHFSA-N 400.954 4.673 0 40 HJAB CNC(=O)c1ccc(CN(C(=O)Nc2ccccc2Cc2ccccc2)C2CC2)cc1 43333977 UVGGNGVUOFJYNB-UHFFFAOYSA-N 413.521 4.834 0 40 HJAB C[C@H](NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(Br)c1 58225833 FGWOUUREGYAIFG-NSHDSACASA-N 422.266 4.649 0 40 HJAB CCN(Cc1ccccc1)C(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 96146337 WMMHMYQGEXZXQO-UHFFFAOYSA-N 409.493 4.575 0 40 HJAB CC1(C)Cc2cccc(OCC(=O)N3CCS[C@@H](c4cccs4)CC3)c2O1 219461716 UIUKNJYIJBPKPT-GOSISDBHSA-N 403.569 4.547 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)cc(C)c1 222560379 IRWRRKWMGVTTQW-YKSBVNFPSA-N 424.585 4.577 0 40 HJAB O=C(CCc1ccc2c(c1)OCO2)NCCSCc1c(Cl)cccc1Cl 222649453 DZZPTUJBLHSMKG-UHFFFAOYSA-N 412.338 4.704 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C 222710748 UEZJIUJBUPQNSX-JOCHJYFZSA-N 414.977 4.852 0 40 HJAB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2c(C)noc2C)c1 223362266 YBKLXNQPVJTKCD-UHFFFAOYSA-N 408.863 4.547 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 223545018 PKQAWXRANKDHTH-QGZVFWFLSA-N 417.918 4.972 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 224169057 XJJOYCDDDVYHIA-QHCPKHFHSA-N 424.585 4.615 0 40 HJAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COCc1ccccc1 224353831 BEQLESWQEHFDCK-UHFFFAOYSA-N 404.466 4.623 0 40 HJAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 224428424 VHHJYYGDJZCPJN-VXKWHMMOSA-N 418.497 4.841 0 40 HJAB CCCC[C@H](CC)CNC(=O)CCCN(c1cccc2ccccc12)S(C)(=O)=O 224682614 ASUPOXGRHNRCDT-IBGZPJMESA-N 418.603 4.719 0 40 HJAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)c1 224829970 XTYWVHYSOIMCCT-FGZHOGPDSA-N 422.554 4.658 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 224961085 VMIJSRXPISEAAL-DEOSSOPVSA-N 408.586 4.550 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 224974883 VYKNTRPYPWGXIO-DLBZAZTESA-N 418.990 4.764 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 225013870 WTECDBPWTGUCFR-VQTJNVASSA-N 412.599 4.728 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 225283768 PWDYQNPMHNKBAZ-CVEARBPZSA-N 421.368 4.868 0 40 HJAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(Br)cc1 225810589 VYTBJVDHUKFNMY-UHFFFAOYSA-N 406.667 4.724 0 40 HJAB CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)[C@H]2C[C@H]2C)CC1 257213771 CJALHDUETIJAIH-YKSBVNFPSA-N 418.581 4.605 0 40 HJAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O 408673388 WSMPXOMJIJULRA-SFHVURJKSA-N 421.880 4.974 0 40 HJAB O=C1N/C(=C\c2cccn2-c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Cl)cc1 408942388 XQMXLXOUEIYULX-UNOMPAQXSA-N 412.276 4.877 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(C)c3O)[C@@](O)(C(F)(F)F)[C@@H]2C1 409364594 XPWWXZDDODFYTR-RCDCFZSISA-N 412.452 4.616 0 40 HJAB C[C@@H](Nc1ccc2c(c1)CCC(=O)N2)c1nc(-c2cccc(C(F)(F)F)c2)no1 522278045 GOLOHIOCNFOVGV-LLVKDONJSA-N 402.376 4.813 0 40 HJAB O=C(c1cccc2ncccc12)N1CCC2(CC1)C[C@@H](Oc1cccc(Cl)c1)CO2 585261722 BTOWGYSZQRTVPA-LJQANCHMSA-N 422.912 4.731 0 40 HJAB O[C@@]1(COc2ccc(Cl)cc2)COCCN([C@H]2CC[C@H](c3ccccc3)CC2)C1 585282010 FMJNWMLOUWFYQV-KIFXHHALSA-N 415.961 4.509 0 40 HJAB CC1(C)SC(=S)N(Cc2ccc(F)cc2)[C@H]1N(O)C(=O)Nc1ccccc1 1278763 ZUHDUGKHVXNUBS-INIZCTEOSA-N 405.520 4.687 0 40 HJAB Cc1ccc2cc(CN(C(=O)NCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 1352763 DZEQTHCQUBUYPL-UHFFFAOYSA-N 403.526 4.881 0 40 HJAB Cc1ccccc1C(=O)NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 1408529 PHSKFTCIVBTYCM-UHFFFAOYSA-N 422.897 4.978 0 40 HJAB CC[C@@H](C)OC(=O)[C@@H](C)n1cnc2scc(-c3ccc(OC(C)C)cc3)c2c1=O 1784785 OOQWFVMURNJBRG-HUUCEWRRSA-N 414.527 4.815 0 40 HJAB CCOC(=O)CCc1c(C)c2ccc(OCc3cccc(Cl)c3)cc2oc1=O 2094744 XHFAPRUFYWDGJV-UHFFFAOYSA-N 400.858 4.830 0 40 HJAB biogenic Cc1ccc(-n2c(SCC(=O)c3ccccc3Cl)nnc2-c2cnccn2)cc1 2354032 VDQUFVCEVMRVBT-UHFFFAOYSA-N 421.913 4.661 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(Cl)cc1)N(C[C@@H]1CCCO1)C3=O 2440537 GHTQSABTGXKPGM-UWJYYQICSA-N 423.896 4.787 0 40 HJAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1Cl 3312919 QYCBINJBLQWKTF-UHFFFAOYSA-N 405.281 4.979 0 40 HJAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1oc2ccccc2c1C 3352253 XZDXYAXWSQFORC-UHFFFAOYSA-N 424.497 4.628 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(Cc1ccccc1F)C(=O)c1ccco1 4240764 PIQOITXBNLLLPL-HSZRJFAPSA-N 420.484 4.861 0 40 HJAB O=C(CSc1nncn1-c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 4835263 ASNWQPRCNXQKQN-UHFFFAOYSA-N 402.479 4.790 0 40 HJAB Cc1ccc2nc(NC(=O)c3cccn(Cc4ccc(Cl)cc4)c3=O)sc2c1 5269423 VDNLHSCVQZWKNB-UHFFFAOYSA-N 409.898 4.720 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccccc1Cl 5477696 JTFYBGAVJRYIAU-UHFFFAOYSA-N 408.861 4.627 0 40 HJAB CC(C)COc1cccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)c1 5976973 AJEXUFAKJGEQBB-UHFFFAOYSA-N 413.326 4.861 0 40 HJAB COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1F)oc1ccccc12 6059344 KWJWTTTUKQOGCP-CYBMUJFWSA-N 407.397 4.918 0 40 HJAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccco2)[C@@H]1c1cccs1 6875792 UYIQNKDFHFCARH-SFTDATJTSA-N 408.523 4.594 0 40 HJAB Cc1ccc(S[C@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 7181170 IDTOUEDDLGNVMZ-MRXNPFEDSA-N 408.489 4.843 0 40 HJAB COc1ccc(C(C)=O)cc1CC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 7989191 MGGKAVWQCRCVNA-UHFFFAOYSA-N 413.477 4.702 0 40 HJAB Cc1ccc(C)c(C(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)c1 8188667 DDXHJXZOFSXXSO-INIZCTEOSA-N 412.534 4.621 0 40 HJAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(C)ccc21 9077699 PYTNTNJBUUJIMZ-QOCHGBHMSA-N 423.321 4.622 0 40 HJAB COc1ccc(C)cc1NC(=O)CNc1ccc(Br)c(C(F)(F)F)c1 9492730 OIEVJJQMXRMFEE-UHFFFAOYSA-N 417.225 4.836 0 40 HJAB Cc1cccc(N2CCN(C(=O)CCc3ncc(-c4ccc(C)c(C)c4)o3)CC2)c1 10262488 BYSLYXZRBWFPMA-UHFFFAOYSA-N 403.526 4.548 0 40 HJAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C4CCCC4)C3)cc2N1 12160747 VESDVEQQFAZFNM-HYVNUMGLSA-N 412.500 4.723 0 40 HJAB CCCCN(CC)C(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=S)[nH]c2c1 12522720 IDYBQWTYVGIBKV-UHFFFAOYSA-N 409.555 4.564 0 40 HJAB CC(=O)c1c(C)nc(-c2ccco2)nc1S[C@@H](C)C(=O)Nc1ccc(C)cc1C 12765613 LNJXYQVZZRFYNU-INIZCTEOSA-N 409.511 4.984 0 40 HJAB CCN(CC)C(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)N[C@@H]1c1ccc(F)cc1 13061544 PPDABIKZBZBVTE-HXUWFJFHSA-N 415.896 4.892 0 40 HJAB CCCc1nc2oc3c(NCc4ccncc4)ncnc3c2c2c1COC(C)(C)C2 13207106 GZUKJXFLDZBREP-UHFFFAOYSA-N 403.486 4.582 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)CSc2ncnc3sccc23)cc1 14068634 WYSRJRLPDNMWAC-SFHVURJKSA-N 413.568 4.936 0 40 HJAB Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c(C)c1 14426540 SNGCBYIIWKANDS-IAGOWNOFSA-N 414.571 4.531 0 40 HJAB CC(C)(C)c1ccc(OCCn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1 15922096 XSPVAZDWGCYJAN-UHFFFAOYSA-N 417.509 4.936 0 40 HJAB Cc1ccc(C(=O)[C@@H]2C(/C=C/c3ccccc3)=NO[C@@]23C(=O)Nc2ccccc23)cc1 15971884 VJVMMTXDAXEZJD-AOUFBRLBSA-N 408.457 4.741 0 40 HJAB Cc1ccc2nc(Nc3nc(C)c(Cc4cccc(Cl)c4)c(=O)[nH]3)nc(C)c2c1 18222495 HZOZAOLGARPJKC-UHFFFAOYSA-N 405.889 4.626 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)COc2ccccc2)n1 19525520 PNHCVOJBFUDHAZ-QFIPXVFZSA-N 416.525 4.624 0 40 HJAB COc1ccccc1-c1noc(C)c1C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 19579664 YEOPJNJHMQNXDP-QFIPXVFZSA-N 422.481 4.557 0 40 HJAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)n1 19691939 BCYGHFMQJWBTCT-QHCPKHFHSA-N 407.489 4.631 0 40 HJAB CCOc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1Br 20142364 FOTGJVZUEHUCOZ-UHFFFAOYSA-N 416.271 4.852 0 40 HJAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccc(Cl)c1 20151851 AOALTQOQANSZLA-UHFFFAOYSA-N 421.305 4.873 0 40 HJAB Cc1ccc([C@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCOCC2)cc1 20192387 LSKZGAAFJPREHM-OAQYLSRUSA-N 410.539 4.940 0 40 HJAB COc1cc(CN(C)C(=O)[C@@]2(C)CC2(Cl)Cl)ccc1OCc1ccccc1 23040255 CXMAXYVUNNOHPR-HXUWFJFHSA-N 408.325 4.817 0 40 HJAB CCCc1ccc(-c2nc(NC(=O)c3cc4c([nH]c3=O)CCCC4=O)sc2C)cc1 30014063 OGUNCMZOANLBEO-UHFFFAOYSA-N 421.522 4.531 0 40 HJAB C[C@@H](NC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1)c1ccc(F)cc1 32578858 MYNNPMIXUXJNAF-MRXNPFEDSA-N 417.440 4.946 0 40 HJAB CCCOc1c(Cl)cc(C(=O)NC[C@@H]2COc3ccccc3C2)cc1OCC 32744639 ALGQNPCFFZMFPB-OAHLLOKOSA-N 403.906 4.509 0 40 HJAB COc1ccc(-c2nnc(Sc3ncnc4sc5c(c34)CCCCC5)n2C)cc1 40020254 SPRIWCAUTRCDOI-UHFFFAOYSA-N 423.567 4.916 0 40 HJAB Cc1cc([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c(C)s1 40080822 TWQHTGBIUNKDGJ-BEFAXECRSA-N 412.580 4.645 0 40 HJAB COc1ccccc1-n1cnn(CN[C@H](c2ccc(F)cc2)C(C)(C)C)c1=S 40149156 SJNQCYSJDINZMQ-LJQANCHMSA-N 400.523 4.885 0 40 HJAB COc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 41076873 RBZHXNBTKYYLMZ-UHFFFAOYSA-N 421.497 4.963 0 40 HJAB O=C(CNc1ccc2ccccc2c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 57697336 LGYYUXHYPRPBOG-QFIPXVFZSA-N 402.494 4.777 0 40 HJAB O=C(Nc1cc(NC(=O)N2CCc3sccc3C2)ccc1F)C1CCCCC1 58202031 ZLYRWYGYYBBECQ-UHFFFAOYSA-N 401.507 4.996 0 40 HJAB Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)/C=C/c2ccccc2)c(C)c1 59502355 IQMUDAFHLSPQLN-FYWRMAATSA-N 410.473 4.604 0 40 HJAB COc1ccc(OC)c(-n2c(SCc3ccc(F)cc3)nc3ccccc3c2=O)c1 67258959 GDHDOBOGFLBZED-UHFFFAOYSA-N 422.481 4.834 0 40 HJAB Cc1noc(C)c1CN1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 69902458 VRLSDBNTSWYSBY-HSZRJFAPSA-N 410.562 4.980 0 40 HJAB COc1ccc(-c2noc(C3(c4ccc(Br)cc4)CCOCC3)n2)cc1 69972599 UHWLTLSANUFAFU-UHFFFAOYSA-N 415.287 4.604 0 40 HJAB Cn1ccnc1CN1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72350008 GQQNKFGUTANESO-KRWDZBQOSA-N 400.448 4.881 0 40 HJAB NC(=O)c1sc2ccccc2c1[C@H]1CCN(CCCCOCc2ccccc2)C1 72352256 SOCFPURKFSIQES-IBGZPJMESA-N 408.567 4.787 0 40 HJAB Cc1cccc2c(-c3ccncc3)c([C@@H]3CCCN(C(=O)c4cnn(C)c4C)C3)[nH]c12 72396758 RMPDJRXCYSCHHM-LJQANCHMSA-N 413.525 4.600 0 40 HJAB CCN(C(=O)CCc1ncc(-c2ccc(C)cc2)o1)[C@@H](COC)Cc1ccccc1 78971444 HZMGXVGFMHNXFA-JOCHJYFZSA-N 406.526 4.689 0 40 HJAB CC[C@](C)(NC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)c1nccs1 89942124 UAHLDFGEMSETEZ-IBGZPJMESA-N 402.907 4.803 0 40 HJAB CC1(C)C[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C[C@](C)(CNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1 102635354 BCUCJWQATQBQSA-VABZBLMYSA-N 414.634 4.676 0 40 HJAB CCc1nc(S/C(=C\c2cccc(OCc3ccccc3Cl)c2)C(=O)O)n[nH]1 213392923 BRYDVEQXVLZCBW-BOPFTXTBSA-N 415.902 4.817 0 40 HJAB Cc1cc(C(=O)O)ccc1-c1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222633421 AINGBCIQLFNDAV-WVFSVQOHSA-N 419.506 4.938 0 40 HJAB O=C(COc1ccc(Cl)cc1Br)NCc1cccc2ccccc12 222863238 OEUJVJROUYAPJU-UHFFFAOYSA-N 404.691 4.951 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 223099825 SDPUOOVOSJUTFA-UHFFFAOYSA-N 417.690 4.534 0 40 HJAB Cc1ccc(OCCCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)cc1 224130937 XSXGBLUIFZKSDA-QFIPXVFZSA-N 424.585 4.652 0 40 HJAB CCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224891924 CEOOWRAQZBNKBT-QFIPXVFZSA-N 412.961 4.749 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 225167921 JIMSKMOAYNFQBX-IBGZPJMESA-N 414.977 4.833 0 40 HJAB CO[C@@]1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225636668 KNHXFUCDABLGTH-REHUZNOOSA-N 402.579 4.721 0 40 HJAB CCOC(=O)c1cccc(NC(=S)N[C@H](CC)c2ccc(OC)c(OC)c2)c1C 225720225 SDHWOZZRDDMYST-QGZVFWFLSA-N 416.543 4.627 0 40 HJAB CCc1ccc(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)cc1 225818633 LKDDRJMWWAPDOF-UHFFFAOYSA-N 400.276 4.633 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@H]2CC=C(C)C[C@H]2C1=O 408683903 NRYDBUUBOSIRNT-PZJWPPBQSA-N 416.521 4.909 0 40 HJAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O 409177717 CHKUONJLLFVBLM-GEEUODSKSA-N 406.507 4.925 0 40 HJAB C[C@H](OC[C@H](O)CN[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(Cl)cc1 538234573 SOSOMHAQINXBRQ-RBHHUKDOSA-N 403.950 4.536 0 40 HJAB Cc1cnc(N2CCN(C(=O)c3cc(C)c(-c4ccc(F)cc4)s3)CC2)s1 605377184 YZUMELKAPNSCME-UHFFFAOYSA-N 401.532 4.590 0 40 HJAB Cc1ccc(Nc2cc(C)nc(C3CCN(C(=O)c4cnc(C)cn4)CC3)c2)cc1 2037834574 RCYURVMRCBDFQP-UHFFFAOYSA-N 401.514 4.560 0 40 HJAB CC1=C(c2cc(C(=O)Nc3cc(C)ccc3C)nc(N)n2)Sc2ccccc2N1 634433 FUJKDFADGSCOND-UHFFFAOYSA-N 403.511 4.834 0 40 HJAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)cc4OC)c(N)c3cc2C1 661901 JRDCOXUENSTSHW-GFCCVEGCSA-N 411.527 4.663 0 40 HJAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCN(c2ccccc2)CC1 663230 KXBORXYZEORVDK-UHFFFAOYSA-N 416.308 4.919 0 40 HJAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)NCc3ccco3)C3CCCCC3)cc2c1 875500 XKJHGIWZURPBBV-UHFFFAOYSA-N 423.582 4.947 0 40 HJAB CCOC(=O)c1cnc2ccccc2c1Nc1ccc(I)cc1 940224 UBNBMDLIBUXIPJ-UHFFFAOYSA-N 418.234 4.760 0 40 HJAB COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2C1=O 1436505 CJNZDVSWJFFDCZ-UHFFFAOYSA-N 422.440 4.901 0 40 HJAB Clc1ccc(-n2ncc3c(N4CCC(Cc5ccccc5)CC4)ncnc32)cc1 2374001 JFRFDMWUTRYSDQ-UHFFFAOYSA-N 403.917 4.928 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1CC 2451252 HCNCXMMKKUDYDP-UHFFFAOYSA-N 400.935 4.912 0 40 HJAB Cc1ccc(CSc2nc3ccccc3c(=O)n2CCn2cc(Cl)cn2)cc1 2733783 WFWVUMLACDHKIO-UHFFFAOYSA-N 410.930 4.547 0 40 HJAB O[C@H](COc1c(F)c(F)c(F)c(F)c1F)CSc1nc2ccccc2s1 2750474 QHLXKJCOQCQHHL-SSDOTTSWSA-N 407.385 4.524 0 40 HJAB COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2[C@H](C)c2ccccc2)o1 3306186 OPABRZFBIVHOBS-OAHLLOKOSA-N 420.490 4.678 0 40 HJAB Nc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 3309133 RZRYITMCQMKZNL-UHFFFAOYSA-N 422.790 4.890 0 40 HJAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)Nc1ccccc1C(F)(F)F 3348490 IUJRSSZAWVDTDD-UHFFFAOYSA-N 409.379 4.838 0 40 HJAB Cc1ccc(-c2cnc(SCCNC(=O)c3cccc(C(F)(F)F)c3)[nH]2)cc1 4315447 AMTOKDIRPGYNIV-UHFFFAOYSA-N 405.445 4.926 0 40 HJAB O=C1Nc2c(C(F)(F)F)cccc2[C@]12Nc1ccccc1-c1nc3ccccc3n12 4625914 LBGJYVCNBVTCJE-OAQYLSRUSA-N 406.367 4.801 0 40 HJAB CC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1C1CCCC1 4728707 KVYGRSSNIBUFQH-FQEVSTJZSA-N 408.502 4.899 0 40 HJAB CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccc(Cl)cc1 4814837 LVLPWJYWGGKSMQ-NSHDSACASA-N 407.952 4.503 0 40 HJAB Cc1ccc(C(=O)c2cn(Cc3ccccc3)c3cc4c(cc3c2=O)OCO4)cc1C 4936824 BEUYNIFGUGTLTG-UHFFFAOYSA-N 411.457 4.626 0 40 HJAB CS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1 5223113 NMELLATXSSJQIF-UHFFFAOYSA-N 408.504 4.619 0 40 HJAB COc1ccc(Nc2nnc(SCC(=O)Nc3c(C)cccc3C)s2)cc1 6058429 JEJSAMVRJOOXAB-UHFFFAOYSA-N 400.529 4.638 0 40 HJAB Cc1c(O)ccc2c(CSc3nnc(C4CC4)n3Cc3ccccc3)cc(=O)oc12 6531875 VODPEPUWTVUQKW-UHFFFAOYSA-N 419.506 4.617 0 40 HJAB CCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1 6648556 KFRFKROVVSLXMY-UHFFFAOYSA-N 400.592 4.976 0 40 HJAB CCCN1C(=O)S/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)C1=O 6654760 AOQNVOBVWIFSFM-NTEUORMPSA-N 414.321 4.691 0 40 HJAB CCCN1C(=O)S[C@H](Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 6879255 XEQVBECDMXGBHE-LJQANCHMSA-N 419.930 4.944 0 40 HJAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 7171812 CPANEABFFDHKDD-OAHLLOKOSA-N 404.539 4.753 0 40 HJAB Cc1ccc(-n2c(CCC(=O)NCCC3=CCCCC3)nc3ccccc3c2=O)cc1 7988437 PYVJHIJWSMJNLG-UHFFFAOYSA-N 415.537 4.633 0 40 HJAB Cc1nc(-c2cccc(NC(=O)CNC(=O)Cc3cccc4ccccc34)c2)cs1 8390159 OTGGDYOZYUDRMT-UHFFFAOYSA-N 415.518 4.569 0 40 HJAB Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccco1)[C@H]3c1ccc(F)cc1 8612860 PLCAQJQZQOFKOJ-NRFANRHFSA-N 403.409 4.887 0 40 HJAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 8767104 ITYIHQAVUJWPAZ-INIZCTEOSA-N 410.301 4.564 0 40 HJAB COc1ccccc1CCNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 8900542 RFGCQYXCHMRYEH-UHFFFAOYSA-N 423.513 4.575 0 40 HJAB COc1ccc(CCNC(=O)Cc2csc(SCc3ccc(C)cc3)n2)cc1 8936382 JRHJXWXTAREZGR-UHFFFAOYSA-N 412.580 4.654 0 40 HJAB COc1cc([C@@H]2S[C@@H](C)C(=O)N2CCc2ccccc2)cc(OC)c1OC(F)F 9442170 UDBQLGBBBVRTSZ-RBZFPXEDSA-N 423.481 4.510 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccc(Cl)cc1Cl 9582907 TYVHRNQARJXKGJ-UHFFFAOYSA-N 423.325 4.708 0 40 HJAB Cc1c(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)sc2ccccc12 9910325 MMFIOBJIDMJDNY-QHCPKHFHSA-N 418.474 4.606 0 40 HJAB O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)Nc1cccc(C(F)(F)F)c1 10132015 UVZQRASRTLJMKH-UHFFFAOYSA-N 423.394 4.721 0 40 HJAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cccc(OC(C)C)c1 10314633 YJNXHFSNMKKLJK-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB CC(C)CN1Cc2cccc(C(=O)N3[C@H]4CC[C@@H]3CC(c3ccc(F)cc3)C4)c2C1=O 12181145 DYAWHOGVJUXOLE-XDNSSPFJSA-N 420.528 4.988 0 40 HJAB O=C(COc1ccc(Cl)cc1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 12226360 SMIOMQKDSIFGPA-UHFFFAOYSA-N 412.795 4.725 0 40 HJAB COc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 12409584 YKDUCAGZBHFRKL-UHFFFAOYSA-N 408.845 4.501 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCN(C)Cc1ccccc1 12767304 HXOUMHWVXKXNRN-UHFFFAOYSA-N 415.896 4.694 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3CCCCCC3)cc2)cc1 13671190 RTSXJWBPGCYEQB-UHFFFAOYSA-N 414.571 4.886 0 40 HJAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc1 13871296 KXEIEEJNVDMXJF-KRWDZBQOSA-N 424.570 4.865 0 40 HJAB CC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c1 14154576 WFVVTTBSYUOVCO-UHFFFAOYSA-N 422.506 4.559 0 40 HJAB COc1ccccc1[C@H]1CC(=O)c2cnc3c(-c4ccc(F)cc4)c(C)nn3c2C1 14163801 LJNHVTXTFZHFRT-MRXNPFEDSA-N 401.441 4.765 0 40 HJAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)c1C 14785160 INEKMDSFZXEEQQ-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB COc1ccc(-c2noc(CCC(=O)Nc3cccc(Cl)c3Cl)n2)cc1OC 15425689 OGTFWNCGNPATMA-UHFFFAOYSA-N 422.268 4.632 0 40 HJAB FC(F)(F)c1ccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc1 17083176 CFBKQKKWZDXEIM-QPJJXVBHSA-N 405.489 4.733 0 40 HJAB COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1OC 18120475 DBRAYNCMXAFDST-UHFFFAOYSA-N 408.420 4.504 0 40 HJAB CC(=O)N[C@H](CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1)c1cccs1 21309660 WRAIHIFOIMRUFC-HXUWFJFHSA-N 421.522 4.515 0 40 HJAB CCOc1ccc(-c2nsc(NC(=O)[C@@H](CC)Oc3ccc(F)cc3)n2)cc1 28287931 LVXDJGBLPGSVLJ-QGZVFWFLSA-N 401.463 4.539 0 40 HJAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 29570325 KXMOJGQYYDTLME-MRXNPFEDSA-N 422.456 4.563 0 40 HJAB O=C(O)c1sc2c(c1-c1ccccc1)N=C(O)C[C@@]21C(=O)Nc2c(Cl)cccc21 32072484 MRWZLUVIBIBQGC-NRFANRHFSA-N 424.865 4.997 0 40 HJAB COc1ccc(C(=O)Nc2c(C)nn(COc3cccc(C(F)(F)F)c3)c2C)cc1 32610640 ZUOXMLSPIUSXPR-UHFFFAOYSA-N 419.403 4.816 0 40 HJAB CC(=O)Nc1cccc(-n2cnnc2SCCOc2ccc3ccccc3c2)c1 36395213 CLVFDIHZPQGVJB-UHFFFAOYSA-N 404.495 4.550 0 40 HJAB C[C@H]1Cc2cc(-c3cc(COC(=O)CSc4nc5ccccc5o4)no3)ccc2O1 38758127 RWOOTRBBOFGZTO-ZDUSSCGKSA-N 422.462 4.642 0 40 HJAB CCc1cccc(C)c1N(C(=O)Cn1c(C2CC2)nc2ccccc21)[C@H](C)COC 39907688 GNLWFQSCSUUJLB-GOSISDBHSA-N 405.542 4.853 0 40 HJAB Cc1c(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)oc2c1C(=O)CCC2 40134211 MEXDUQSPXSOAGV-INIZCTEOSA-N 416.477 4.850 0 40 HJAB Cc1sc(NC(=O)c2ccco2)c(CN2CCN(c3ccccc3F)CC2)c1C 54072982 DIJJPECVZRLDED-UHFFFAOYSA-N 413.518 4.672 0 40 HJAB COCc1c(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)oc2ccccc12 57464382 ILSRFHHGHSWQMW-UHFFFAOYSA-N 403.482 4.654 0 40 HJAB Cc1nn(Cc2ccccc2)c(Cl)c1CN(C)C[C@H]1CCN(Cc2ccccc2)C1 72305301 UTNYFCMHJPYVOA-HSZRJFAPSA-N 423.004 4.847 0 40 HJAB Cn1cc(CN2CCC[C@@H](c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)C2)cn1 72349993 RXFSJXRKCKEWKL-LJQANCHMSA-N 414.475 4.804 0 40 HJAB COc1c(C)cc(CN(C)C(=O)c2cc3ccccc3nc2N2CCCC2)cc1C 78908667 MIYLRGXMVHDCMP-UHFFFAOYSA-N 403.526 4.733 0 40 HJAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@H]1CC(=O)N1CCC[C@H]1C1CCCC1 89800389 IHAMICQVNZUZEK-RDJZCZTQSA-N 412.477 4.690 0 40 HJAB O=C(NCc1ccc(C(=O)c2ccccc2)s1)c1cc(Br)cs1 96119926 GJSGAKJAXFTAHE-UHFFFAOYSA-N 406.326 4.733 0 40 HJAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 97117420 OESZVJCUTJOTOW-FCHUYYIVSA-N 408.542 4.529 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)cc(C)c1 222560438 IRWRRKWMGVTTQW-RDPSFJRHSA-N 424.585 4.577 0 40 HJAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 223472309 CBKYKOJGTMIYTD-HSZRJFAPSA-N 424.903 4.885 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 224242481 GDWBCUFITGMECL-HSZRJFAPSA-N 424.610 4.953 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3cccc(C)c3C)ccc2C)cc1 224305993 ALIOZNYPNRBSKZ-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB Cc1ccccc1OCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 224380659 VFJSUIQMLULHIL-UHFFFAOYSA-N 407.535 4.975 0 40 HJAB CCc1ccc(CC)c(CNC(=O)COc2ccc(Cl)cc2Br)c1 224417489 WQLAAJDTRKUTNM-UHFFFAOYSA-N 410.739 4.923 0 40 HJAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1ccc(OC)cc1 224603107 LHTJWXVZHKWVOK-UHFFFAOYSA-N 421.493 4.612 0 40 HJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224630619 VTMFWMKABVPYEZ-FQEVSTJZSA-N 421.368 4.522 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 225120894 KQFBTOBAQZTGNJ-IRLDBZIGSA-N 424.585 4.631 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1C 225270447 RDUKWKILVOIVLZ-UHFFFAOYSA-N 407.495 4.656 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 225486554 OHMMIGLPPSBTOM-AVRDEDQJSA-N 414.977 4.995 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 225543764 TXOKWPJOQZXWTO-URXFXBBRSA-N 424.585 4.713 0 40 HJAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)CCOCC2)cc1 225568920 PSFBUDMKAMEUQH-UHFFFAOYSA-N 422.569 4.547 0 40 HJAB CO[C@]1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225635724 NIUCCHZYCQURBK-DBYOASNMSA-N 402.579 4.577 0 40 HJAB Cc1ccc(CNC(=S)Nc2nc(N3CCCC[C@@H]3C)cc(C(F)(F)F)n2)cc1 225946270 GNLWMADJOVPVKZ-AWEZNQCLSA-N 423.508 4.669 0 40 HJAB COc1cc(CCc2nc(N3CCC[C@@H]3c3ccccc3)ncc2C(=O)O)ccc1C 257216097 CTBKIOUAKHMTDX-JOCHJYFZSA-N 417.509 4.619 0 40 HJAB CCCO[C@](C)(C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1)C1CC1 260814621 LNRVPQDYNMRIBY-CYFREDJKSA-N 402.579 4.721 0 40 HJAB O=C1S/C(=C\c2ccccc2I)C(=O)N1c1ccccc1 408552834 VYPJQLRYZVNZRZ-UVTDQMKNSA-N 407.232 4.532 0 40 HJAB Cc1ccc([C@H](CCC(=O)O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 408604018 CRCFCEWIGOGMGB-QHCPKHFHSA-N 422.569 4.656 0 40 HJAB Nc1c2c(nc3c1cnn3-c1cccc(F)c1)C[C@@H](c1ccc(Cl)cc1)CC2=O 618256953 OYSLWPZHFCJZAX-CYBMUJFWSA-N 406.848 4.708 0 40 HJAB Cc1nn(Cc2ccccc2)c(N)c1C(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 1138010480 HOZAYKDZSKJVQA-JOCHJYFZSA-N 402.542 4.923 0 40 HJAB CC(C)=CC(=O)OC[C@]1(O)C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CCCC(C)(C)[C@H]1C[C@H]3O 1615811898 HGXSLFHBGBEREA-AONLGMNESA-N 404.591 4.631 0 40 HJAB biogenic CC(C)CN1C(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2C1=O 692653 RCMZEYPVAPVAHW-UHFFFAOYSA-N 412.489 4.709 0 40 HJAB COc1ccc(-c2csc(-n3nc(-c4ccc(OC)cc4)cc3NC(C)=O)n2)cc1 1415852 QBMNPGJNSHLVTL-UHFFFAOYSA-N 420.494 4.638 0 40 HJAB CCOc1ccc(C(=O)c2cn(Cc3ccccc3)c3c(F)cc(F)cc3c2=O)cc1 2687680 UPIMUEVSXADSOE-UHFFFAOYSA-N 419.427 4.958 0 40 HJAB Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(O)c4)c3n2)cc1 2756315 ZSNPHIKZRNEMFP-UHFFFAOYSA-N 412.371 4.681 0 40 HJAB Cc1sc2ncn3nc([C@@H](C)n4nc(C(F)(F)F)cc4C4CC4)nc3c2c1C 2788923 SRAUYVOUZKHZLI-SECBINFHSA-N 406.437 4.658 0 40 HJAB Cc1cccc(Nc2nnc(SCC(=O)Nc3c(F)cccc3F)s2)c1C 3235163 LKWIUJQYCVRVMR-UHFFFAOYSA-N 406.483 4.908 0 40 HJAB CN(C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)C1CCCCC1 3250812 DGRDQKQKGWOUQI-UHFFFAOYSA-N 412.584 4.879 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12 3314728 XOSIBQZEKCBPBJ-UHFFFAOYSA-N 414.889 4.643 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)NCCC3=CCCCC3)n2C(C)C)cc1 3361426 OEDARDOKSAOSJI-UHFFFAOYSA-N 414.575 4.633 0 40 HJAB COc1cc2c(cc1N[C@@H]1OC(=O)c3c1ccc(OC)c3OC)oc1ccccc12 3999912 LDSRSSNPXDMHOZ-JOCHJYFZSA-N 405.406 4.893 0 40 HJAB biogenic COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4)ccc3o2)cc1 4705262 QQEONEFHGLDAHF-UHFFFAOYSA-N 403.463 4.630 0 40 HJAB O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)C1(c2ccccc2)CCCCC1 5001904 MUYBZPZTQBMYRM-UHFFFAOYSA-N 408.933 4.686 0 40 HJAB COc1ccc(Cl)cc1C(=O)NCCc1sc(-c2ccc(F)cc2)nc1C 5108242 QRYYVBBRMGAISD-UHFFFAOYSA-N 404.894 4.892 0 40 HJAB CC(C)Sc1nc2sc3c(c2c2nnc(SCCN(C)C)n12)[C@H](C)CCC3 5556563 XNRKNWWODPFFLO-GFCCVEGCSA-N 421.661 4.933 0 40 HJAB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(Cl)c2Cl)c1 5842402 UTJKBZCALTYFSK-UHFFFAOYSA-N 410.326 4.715 0 40 HJAB COc1ccc(-c2csc(NC(=O)CCCOc3ccc(C(C)=O)cc3)n2)cc1 6341582 UWHANUSGIGQZML-UHFFFAOYSA-N 410.495 4.819 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)c1 6471483 WUFXKOVQZSXUJW-GOSISDBHSA-N 408.523 4.595 0 40 HJAB Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)c1C 6479104 BSEUBPAGNUKCHX-UHFFFAOYSA-N 411.457 4.784 0 40 HJAB Cc1nnc(S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)O)o1 7603519 DPFOLGDOAQEGBO-YVLHZVERSA-N 402.859 4.828 0 40 HJAB Cc1nnc(S/C(=C\c2ccccc2OCc2cccc(Cl)c2)C(=O)O)o1 7603754 NWXBLTRPUHCZKZ-YVLHZVERSA-N 402.859 4.828 0 40 HJAB Cc1cc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc(C)c1Br 7882195 OHKCLUMNIQHZOO-DOTOQJQBSA-N 415.331 4.614 0 40 HJAB Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(F)cc2)c(C)c1 8476431 GQVJTNMNVXUARG-UHFFFAOYSA-N 400.457 4.620 0 40 HJAB CCOc1ccc(N2C[C@@H](CNC(=O)Nc3ccc(C(C)(C)C)cc3)CC2=O)cc1 9039587 PNJDXWDOEXSNDK-QGZVFWFLSA-N 409.530 4.557 0 40 HJAB CC(C)COc1cccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 9305143 MATXXSHECMLOGD-UHFFFAOYSA-N 401.466 4.855 0 40 HJAB O=C(Cc1ccc(Br)cc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 9720550 ALNVEOFJGLHCAK-UHFFFAOYSA-N 422.735 4.726 0 40 HJAB Cc1ccc2nc(CSc3nnc(N4CCCC4)n3-c3cccc(Cl)c3)cn2c1 9731356 PFGLHOYINYAIIF-UHFFFAOYSA-N 424.961 4.769 0 40 HJAB COc1cc(CSCc2csc(NC(=O)c3cccc(F)c3)n2)cc(OC)c1 12230249 QYDFETJMFQOGCH-UHFFFAOYSA-N 418.515 4.985 0 40 HJAB CSc1ccc(-c2noc(CSc3nc(-c4ccccc4)cc(=O)[nH]3)n2)cc1 12414995 GHLOPGSESKMBQS-UHFFFAOYSA-N 408.508 4.501 0 40 HJAB Cc1ccccc1-c1nc(COC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)c(C)o1 12415626 PQSZGKBNGIYESB-UHFFFAOYSA-N 422.872 4.858 0 40 HJAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC[C@H](C)C3)c2c1 12437902 BURXHQCKGIOXRQ-KRWDZBQOSA-N 410.539 4.621 0 40 HJAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O 12637152 KWJBCDUPLBTVMR-HXUWFJFHSA-N 411.505 4.808 0 40 HJAB O=C(CCCNC(=O)c1ccsc1)Nc1cccc(NC(=O)Nc2ccccc2)c1 12824378 PCCVNCRCAWCQBY-UHFFFAOYSA-N 422.510 4.541 0 40 HJAB Cc1cc(-c2cnc(NC[C@@H](c3ccccc3F)N(C)C)nc2-c2ccoc2C)on1 13226699 LTZYTHXDCZPJRK-FQEVSTJZSA-N 421.476 4.862 0 40 HJAB C[C@H](NC(=O)Cc1csc(SCC(=O)c2cccs2)n1)c1ccccc1 13654039 PKFRZGDYJLSIRV-ZDUSSCGKSA-N 402.566 4.600 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)c(C)c3)cc2)c1 13679717 VMYLFDZZKUFVCS-UHFFFAOYSA-N 408.523 4.594 0 40 HJAB COC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccccc1C(F)(F)F 13686246 LNQQIKJLUNIPGB-KRWDZBQOSA-N 406.429 4.588 0 40 HJAB Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)c1 14117147 KTWALOQFHWQWRP-UHFFFAOYSA-N 424.570 4.865 0 40 HJAB O=C(Cc1noc2ccccc12)Nc1ccnn1Cc1ccc(Cl)cc1Cl 14236791 DEJISEBBUYJRKW-UHFFFAOYSA-N 401.253 4.561 0 40 HJAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3oc4ccccc4c3C)n2)cc1 14246157 QKAKTCHLYJRXKA-UHFFFAOYSA-N 405.479 4.753 0 40 HJAB Cc1cc(NC(=O)[C@H](C)Sc2ncnc3scc(-c4ccc(F)cc4)c23)on1 14568202 QTXHRILORXOMRB-NSHDSACASA-N 414.487 4.913 0 40 HJAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 16291010 QTYNJZHWVQZMTK-UHFFFAOYSA-N 420.494 4.575 0 40 HJAB CCc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4OC)nccn3n2)cc1 16841615 GHDGAHHKSSOWNU-UHFFFAOYSA-N 418.522 4.698 0 40 HJAB COc1ccc(CCNC2=NN=C(C34CC5CC(CC(C5)C3)C4)CS2)cc1OC 16977043 XKDGXNUMQHLPOT-UHFFFAOYSA-N 413.587 4.511 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 20036419 IPFZUOFHUGKZFD-AWEZNQCLSA-N 407.919 4.863 0 40 HJAB CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20594759 CJPXLZJTKYAGOU-UHFFFAOYSA-N 424.522 4.745 0 40 HJAB Cc1ccccc1C(=O)NCCC(=O)Nc1nc(-c2c(C)[nH]c3ccccc23)cs1 21588411 QIFVSRUEWNZDOT-UHFFFAOYSA-N 418.522 4.667 0 40 HJAB CCc1nc2sc([C@H](c3cccc(C(F)(F)F)c3)N3CCC(C)CC3)c(O)n2n1 22853350 NFXIHPCKVFAECE-INIZCTEOSA-N 424.492 4.899 0 40 HJAB O=C(Cc1cc(O)nc(SCc2cccc(Cl)c2)n1)NCCC1=CCCCC1 23138277 QSDUTLAYKROJTK-UHFFFAOYSA-N 417.962 4.677 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c1 26089963 KSEBTMBIRJIZSI-UHFFFAOYSA-N 421.547 4.795 0 40 HJAB Cc1cccc(NC(=O)c2oc3ccccc3c2NS(=O)(=O)c2cccs2)c1 28249691 IXFLFULNDLUXFG-UHFFFAOYSA-N 412.492 4.856 0 40 HJAB Cc1c(C(=O)N(C)Cc2ccc3c(c2)OCO3)sc2nc(C(F)(F)F)ccc12 29761301 ULHNVDDCCVSHHW-UHFFFAOYSA-N 408.401 4.624 0 40 HJAB COc1ccccc1[C@@H](CNCc1ccccc1OCc1cccnc1)N1CCCC1 30544312 QGUZRIYONNYLEW-XMMPIXPASA-N 417.553 4.596 0 40 HJAB Cc1sc(-c2ccco2)nc1C(=O)Nc1nc(CN2CCC(C)CC2)cs1 30570676 SLAZXYBKDPXMSS-UHFFFAOYSA-N 402.545 4.652 0 40 HJAB O=C(Nc1cc(F)ccc1F)c1ccccc1OCc1nc(-c2ccccc2)no1 32578646 GIMWILVLDUZULO-UHFFFAOYSA-N 407.376 4.846 0 40 HJAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Br)cc1F 38500786 LLRHDGFWACRKAF-UHFFFAOYSA-N 422.229 4.564 0 40 HJAB O=C(NCc1cccnc1Oc1cccc(F)c1)Nc1ccc(N2CCCCC2)nc1 40120886 WAAJSWSFCZDLDT-UHFFFAOYSA-N 421.476 4.720 0 40 HJAB C[C@@H](NC(=O)C1(NC(=O)OCc2ccccc2)CCCC1)c1ccccc1Cl 58300473 XXDLTUDCZNBJTH-MRXNPFEDSA-N 400.906 4.756 0 40 HJAB Cc1cnc(C(=O)N2CCC[C@@H](c3cc(Cc4ccccc4Cl)cc(C)n3)C2)cn1 72353948 KOOJLFVSHDXVLM-HXUWFJFHSA-N 420.944 4.752 0 40 HJAB COc1ccccc1-c1nccnc1[C@H]1CCCN(CCOc2ccc(F)cc2)C1 72359002 MZJMRKVTPVPKSI-SFHVURJKSA-N 407.489 4.550 0 40 HJAB FC(F)(F)c1cccc(OCCc2cc([C@H]3CCCN3Cc3cccnc3)n[nH]2)c1 72378318 IPJPZCMDWKDVTB-OAQYLSRUSA-N 416.447 4.782 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@H](c3cccc4cccc(OC)c34)C2)c(OC)c1 96118938 BCCZSPJVICYOBD-NRFANRHFSA-N 404.466 4.563 0 40 HJAB CCc1cccc(CC)c1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 96815014 SDXMTHYPKREUPK-LTGZKZEYSA-N 413.481 4.695 0 40 HJAB CCOc1cc(-c2nnc(N)o2)cc(Br)c1OCc1ccccc1Cl 216824441 RZALOIKYDSYPHA-UHFFFAOYSA-N 424.682 4.712 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cccc(C)c3C)c2)cc1 222542281 FDQMDSSTERINCQ-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CC(c1ccccc1)c1ccccc1 222622700 PQTFKBKZZGAYIL-LJQANCHMSA-N 418.512 4.511 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 222901835 YQDXTGRFWSJGFH-JOCHJYFZSA-N 412.599 4.543 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)c2)c1 223950062 RDBSTVRDMSBGGH-IBGZPJMESA-N 422.550 4.904 0 40 HJAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1cccc(C)c1 224388431 UDITZMJDIXACDA-UHFFFAOYSA-N 405.494 4.911 0 40 HJAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 224645010 ITOWSBMLSDIHPG-GOSISDBHSA-N 412.961 4.749 0 40 HJAB Cc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCCC2)cc1 224725890 XZONTMCSDOAJAX-OAQYLSRUSA-N 406.570 4.712 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccccc1CN1CCCCC1 224805727 UUZPDEACTCXVMI-UHFFFAOYSA-N 407.341 4.675 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCSc1ccccc1 225169740 RIAMSSIKFJYNKA-SFHVURJKSA-N 416.562 4.642 0 40 HJAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)ccc21 225243387 ZFHAJDWJWIVXSB-UHFFFAOYSA-N 422.506 4.579 0 40 HJAB Cc1ccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)C)cc1 225534693 ULSWILAQWQLZRP-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 225720271 QMXKFTBJLPYSIV-JOCHJYFZSA-N 412.599 4.728 0 40 HJAB O=C(O)CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1cccc2ccccc12 408973317 YHQINIHXISQOMN-UHFFFAOYSA-N 402.425 4.849 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(C)c2)cc1 409102977 CAYVHOFYUMSARX-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB O=S(=O)(c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1)N1CCCCC1 585152267 ICHNLHACLYYGPN-UHFFFAOYSA-N 402.903 4.837 0 40 HJAB COc1ccc2nc([C@H](C)NC(=O)c3cc4cc(C(F)(F)F)ccc4n3C)[nH]c2c1 1625749383 SZQUZEPBYIRZET-NSHDSACASA-N 416.403 4.573 0 40 HJAB Ic1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1 1291048 KZAIUWSXRZDALH-UHFFFAOYSA-N 407.280 4.918 0 40 HJAB COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccccc3F)cc2c1 1327330 GYPQGBUPVTZMQE-UHFFFAOYSA-N 421.428 4.503 0 40 HJAB COc1ccc([C@H]2C=C(c3ccccc3)NC(=S)N2)cc1OCc1ccccc1 1480301 UBSAWHKFOQGZGF-OAQYLSRUSA-N 402.519 4.834 0 40 HJAB COc1ccc(CNCC[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1OC 1828792 LWMKARRJLDJYPV-NRFANRHFSA-N 405.494 4.744 0 40 HJAB biogenic CCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCCCC2 2083987 MSJRWTYCBCGBBC-PKNBQFBNSA-N 413.495 4.574 0 40 HJAB CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1)N(C(C)=O)c1ccccc1-2 2087274 IOZGOVSRWFZUMW-NRFANRHFSA-N 406.511 4.875 0 40 HJAB CSc1ncccc1C(=O)O[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 2635821 BLONUSTVIWCCRT-SFHVURJKSA-N 420.534 4.578 0 40 HJAB CSc1ccc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)N(C)C(=S)N2C)cc1 2648114 SYCFFKYLGJRIFT-IBGZPJMESA-N 415.559 4.664 0 40 HJAB CCOc1ccc2c(=O)c(Oc3ccc(C(=O)OC)cc3)c(C(F)(F)F)oc2c1 3165298 UXOUXBSSUHPTDG-UHFFFAOYSA-N 408.328 4.789 0 40 HJAB COc1ccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(F)ccc32)cc1 4937234 QWQMEUPPHRVQPL-UHFFFAOYSA-N 401.437 4.737 0 40 HJAB CCN(CC)CCn1cnc2c(c1=N)[C@@H](c1ccco1)c1ccc3ccccc3c1O2 5347919 XLHLEXDRZQTSFF-OAQYLSRUSA-N 414.509 4.736 0 40 HJAB O=c1c2ccccc2nc(SCCOc2ccccc2F)n1-c1ccccc1F 6083255 PQXRPJKDJCFDCB-UHFFFAOYSA-N 410.445 4.835 0 40 HJAB Cc1cc(-n2c(C)cc(C(=O)CSc3ncnc4sc(C)c(C)c34)c2C)no1 6113532 GBPMTJBFLLULCM-UHFFFAOYSA-N 412.540 4.987 0 40 HJAB Cc1coc2cc3oc(=O)c(CC(=O)NCCc4c[nH]c5ccccc45)c(C)c3cc12 6623695 RCGBIRQMRDMOSS-UHFFFAOYSA-N 414.461 4.539 0 40 HJAB biogenic Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 8920625 UPBRIBKMADWBKP-UHFFFAOYSA-N 421.913 4.509 0 40 HJAB CCN1C(=O)c2cc(NS(=O)(=O)Cc3ccc(C)cc3)ccc2Oc2ccccc21 8961170 LSMHTNONOZFOSL-UHFFFAOYSA-N 422.506 4.709 0 40 HJAB CCOC(=O)c1cnc2nc(SCc3ccccc3Cl)nn2c1-c1ccccc1 9184163 XFTDAFAMIMPIJG-UHFFFAOYSA-N 424.913 4.914 0 40 HJAB CC(C)Cc1ccc([C@H](C)c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1 9423773 AKHFTGXYOAJGLP-INIZCTEOSA-N 416.554 4.934 0 40 HJAB Cc1cccc2sc(NC(=O)CSc3nnc(-c4ccco4)n3C(C)C)nc12 9593473 RQFPGEWJHNEEEH-UHFFFAOYSA-N 413.528 4.768 0 40 HJAB Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)c2ccc(Cl)s2)cc1 9839504 PHGNVPROSDNUJE-UHFFFAOYSA-N 419.886 4.554 0 40 HJAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)c2cccc3ncccc23)C1 12221100 OMLBDZIVVYQWOP-QFIPXVFZSA-N 409.493 4.530 0 40 HJAB C[C@H](SC1=Nc2ccccc2[C@H]2CC=NN12)C(=O)Nc1ccc(F)c(F)c1F 12599045 ZLPVFGREDVACQK-ZUZCIYMTSA-N 404.417 4.598 0 40 HJAB CN(Cc1ccc(OC(F)F)cc1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 12691865 DDMZRAXGQXEDLZ-VMPITWQZSA-N 423.843 4.775 0 40 HJAB COc1c(Br)cc(F)cc1NC(=O)c1ccc(F)cc1Br 12750643 GFZVRRHLLYJTIO-UHFFFAOYSA-N 421.035 4.751 0 40 HJAB CC[C@H](NC(=O)CCc1c(C)nc(SC)nc1C)c1ccc(Br)cc1 13001197 FDNVLESAURDDBD-KRWDZBQOSA-N 422.392 4.778 0 40 HJAB CCCc1cc(-c2nc(C)c(C(=O)NCCc3c[nH]c4ccccc34)s2)ccn1 13687688 XEWOFKIODLMWPW-UHFFFAOYSA-N 404.539 4.920 0 40 HJAB CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O 13712493 JOPGFTAAGWDFAX-IBGZPJMESA-N 408.951 4.647 0 40 HJAB CCOc1ccc(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)cc1OCC 15017811 FTDRPWCFCXRNDO-INIZCTEOSA-N 404.304 4.549 0 40 HJAB Cc1cc(C2=N/C(=C\c3cccc(OC(C)C)c3)C(=O)O2)ccc1Br 16282116 VBTAGAISZFWUEY-WQRHYEAKSA-N 400.272 4.889 0 40 HJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=S)NC(=O)c1ccccc1 17297411 DPSRLALRXOTREV-UHFFFAOYSA-N 410.520 4.719 0 40 HJAB CCc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 20192636 QUGJZTJLZULZHZ-UHFFFAOYSA-N 411.552 4.859 0 40 HJAB Cc1n[nH]c(SCc2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)n1 20293574 UOWXIDNILNXYRB-UHFFFAOYSA-N 416.934 4.855 0 40 HJAB COc1ccc(CNc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccccc23)cc1 20382530 QXIHLXWMMUEEKF-UHFFFAOYSA-N 418.518 4.997 0 40 HJAB C[C@H]1N=C(c2ccc(I)cc2)[C@H]2[C@@H](c3ccc(Cl)cc3)N12 20601922 DACVTGNUCKIYJC-VEFOSOGTSA-N 408.670 4.519 0 40 HJAB CCOc1ccc(CCNC(=O)c2cccnc2Nc2cccc(F)c2)cc1OCC 22072012 REMREYPBBTYUDR-UHFFFAOYSA-N 423.488 4.734 0 40 HJAB CSc1ccc(-c2noc(CN3C(=O)COc4ccc(C(C)(C)C)cc43)n2)cc1 23126092 ICXYKJDKUROCDP-UHFFFAOYSA-N 409.511 4.682 0 40 HJAB COC(=O)c1sccc1NC(=O)N1CCC(c2nc3ccccc3s2)CC1 24947195 HFJONVSUVOZGJD-UHFFFAOYSA-N 401.513 4.556 0 40 HJAB CC(C)C(=O)N1CCC(C(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)CC1 25508664 FHMLNSQVIYSGCY-HSZRJFAPSA-N 424.610 4.727 0 40 HJAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Br)cc1 32118771 FRRYYZSEQKLIKF-UHFFFAOYSA-N 420.115 4.588 0 40 HJAB COc1ccc(-c2ccc(SCc3nc(-c4cccs4)no3)nn2)cc1OC 33022075 PJKWFUTXQDLPMZ-UHFFFAOYSA-N 412.496 4.565 0 40 HJAB Cc1nc2oc(C(=O)c3ccc(Br)cc3)c(N)c2c2c1COC(C)(C)C2 37868582 IXYBBSZDBKTHRH-UHFFFAOYSA-N 415.287 4.563 0 40 HJAB Cc1ccccc1-c1cc(NC(=O)[C@H](C)OCC(F)(F)F)n(Cc2ccccc2)n1 48343338 RMQNEEJYCXFPQJ-INIZCTEOSA-N 417.431 4.813 0 40 HJAB CCOc1ccc(-c2cc3c(=O)n(Cc4ccc(Cl)cc4)ccn3n2)cc1Cl 64774983 ZKXDYFNPAFZQBI-UHFFFAOYSA-N 414.292 4.917 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccs1 72330407 LUQCUPUKHROZKV-AVRDEDQJSA-N 409.530 4.666 0 40 HJAB CC(C)[C@@H]1CCCN1c1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1F 95465072 BKYISPXYKYDQIE-KRWDZBQOSA-N 412.465 4.665 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(F)cc2Cl)S1 96118442 OBCGQQQDKNVMSQ-LRDDRELGSA-N 409.914 4.985 0 40 HJAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCCN2CCCc2ccccc2)C1 96214559 UMKXCOGKKPVWFP-VWLOTQADSA-N 410.989 4.972 0 40 HJAB COc1ccc([C@H]2CC3=Nc4nonc4N[C@H](c4ccccc4F)C3=C(O)C2)cc1 102743246 XFMNQLSYTOGMIV-RNODOKPDSA-N 406.417 4.846 0 40 HJAB C[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(C(F)(F)F)cn4)c(N)c3cc2C1 215712599 OCKKCJDYCNRAQT-SECBINFHSA-N 406.433 4.669 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(Br)cc1 218818782 WNHHXEGNVHNJOA-QGZVFWFLSA-N 404.304 4.555 0 40 HJAB CCSc1ccccc1NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 219157479 FWQZMPFODQNTOH-UHFFFAOYSA-N 424.547 4.613 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CC1 223848839 ISLPWRSRCXSKHT-FCHUYYIVSA-N 404.539 4.718 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2C)cc1 224010101 YZWWUZDEKKOYFI-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1 224019088 KXULRYDDJKUNKN-XMMPIXPASA-N 424.585 4.578 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)cc1 224631487 AXPNMFCNEFWLQR-SFHVURJKSA-N 400.950 4.523 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)[nH]1 225035487 JADSDPAUJFZACN-FGZHOGPDSA-N 405.571 4.501 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 225067181 IPYBAKANLXXVMZ-XMMPIXPASA-N 422.569 4.630 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225447336 OHDBWCSSGVQSQS-LEWJYISDSA-N 424.585 4.563 0 40 HJAB COc1cc(C)c(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1C(C)C 225659377 NRDCDMXZIAQROB-UHFFFAOYSA-N 406.482 4.902 0 40 HJAB CSc1cccc(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)c1 225819756 VKHKKWPIEPZDET-UHFFFAOYSA-N 418.316 4.792 0 40 HJAB COc1ccc(N(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 225907610 AHBJVOWWYUBYJZ-MRXNPFEDSA-N 407.341 4.877 0 40 HJAB CC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2CN(C)C[C@H](C)c2ccccc2)C1 248127863 PKBNUEFQKBVAND-RXVVDRJESA-N 404.558 4.524 0 40 HJAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCN([C@H](C)Cc4ccc(F)cc4)C3)cc2n1 252077229 CZBRAZBQHFURHJ-ZBFHGGJFSA-N 420.454 4.870 0 40 HJAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2Cc2cccc(C(=O)O)c2)o1 257207108 BGJMHVGFPGVDTR-NRFANRHFSA-N 406.482 4.699 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)Cc3ccccc3F)CC2)on1 257317554 VKGACSSYJFUHAZ-IYARVYRRSA-N 422.504 4.520 0 40 HJAB COc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1OC 408633688 LNIXUYXDUASZBJ-YBEGLDIGSA-N 418.858 4.625 0 40 HJAB CCOc1c(Br)cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1OC 409015474 ZVZGMMXKENQLGO-RSYJBZMQSA-N 414.321 4.691 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 806977 IWBKZOYOSIHPPS-UHFFFAOYSA-N 409.829 4.813 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)OCc1ccccc1 900702 PFDGMMXOQFAHQV-UHFFFAOYSA-N 415.518 4.829 0 40 HJAB COc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1 990481 IVSSNTFYVPIPFU-UHFFFAOYSA-N 423.852 4.641 0 40 HJAB O=C(OCc1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccc(Cl)cc1 993408 SJTBUNUJTBAPSQ-UHFFFAOYSA-N 400.883 4.671 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)c1ccco1)c1ccccc1F 1380058 MYALRBQPZNFFFY-HXUWFJFHSA-N 412.486 4.927 0 40 HJAB O=S(=O)(Cc1cc(Sc2ccccc2)nc(-c2cccnc2)n1)c1ccccc1 1383055 YUVNZDHDRLWLGH-UHFFFAOYSA-N 419.531 4.664 0 40 HJAB CCCCOc1ccc(NC(=O)COc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 2397203 DDHLVBZHWVHNLW-UHFFFAOYSA-N 421.493 4.787 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)CCc3ccccc3)ccc21 2635811 UDFMOKLZOSIJDQ-UHFFFAOYSA-N 400.478 4.929 0 40 HJAB CSc1ncccc1C(=O)O[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 2635822 BLONUSTVIWCCRT-GOSISDBHSA-N 420.534 4.578 0 40 HJAB CN(c1ccc(OCCOc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 3312814 BCIDEKRQGHELAL-UHFFFAOYSA-N 417.914 4.623 0 40 HJAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl 3453362 FAXBNDHFAMQRNG-LLVKDONJSA-N 420.252 4.536 0 40 HJAB O=C(NCCc1nc2ccccc2n1CCCOc1ccccc1)C1CCCCC1 4384983 IZCOHDOCKNYCIM-UHFFFAOYSA-N 405.542 4.744 0 40 HJAB O=C(O)C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 4581060 COQIHJOGQUWZIG-GFCCVEGCSA-N 401.768 4.511 0 40 HJAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(C(C)C)cc2)n2ncnc2N1 4705299 UNLXHSPBWLSPKC-JOCHJYFZSA-N 401.514 4.946 0 40 HJAB O=C(O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2ccc(F)cc2)cc1 4928671 JLYMUDGOIIEHMR-JOCHJYFZSA-N 413.408 4.664 0 40 HJAB COc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(C)ccc32)cc1 4937244 KITQUZHFHHIAQV-UHFFFAOYSA-N 401.437 4.737 0 40 HJAB Cc1ccc(C(=O)CSc2nnc(-c3ccccn3)c(-c3ccccn3)n2)cc1C 5059584 HINXYWMLEYOYCT-UHFFFAOYSA-N 413.506 4.587 0 40 HJAB O=C1OCC2=C1[C@H](c1ccc(Cl)cc1)CC(=O)N2c1cccc(C(F)(F)F)c1 5266423 SCINCDYTSNQGQB-HNNXBMFYSA-N 407.775 4.690 0 40 HJAB Cc1ccc(C)c(Sc2ccc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)cc2)c1 5902597 MEVUNOLAOGNGQH-UHFFFAOYSA-N 415.518 4.872 0 40 HJAB COc1ccc(C(C)=O)cc1Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 6087447 NTMXPIZVIZOSSF-UHFFFAOYSA-N 404.491 4.693 0 40 HJAB COc1ccc(-c2coc3c(C)c(OCCN4CCC(C)CC4)ccc3c2=O)cc1 6759050 PUOWONDTNIDMCH-UHFFFAOYSA-N 407.510 4.888 0 40 HJAB biogenic Cc1cc(C)c2c(CC(=O)Nc3nc(C)c(C(=O)OCC(C)C)s3)coc2c1 6809839 ZYQAYIGUSKMMPC-UHFFFAOYSA-N 400.500 4.809 0 40 HJAB COc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 6886267 GOHJQTDSOYLNNM-UHFFFAOYSA-N 416.433 4.607 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 6923111 WQUHPBVRFPRVJO-UHFFFAOYSA-N 407.194 4.512 0 40 HJAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)N(Cc2cccc(F)c2)c2ccccc23)cc1 6997191 CEROAPRWZXVENQ-DEOSSOPVSA-N 418.493 4.614 0 40 HJAB CCc1nnc(S/C(=C\c2ccccc2OCc2cccc(Cl)c2)C(=O)O)[nH]1 7342546 YMNISRLDLBGGPJ-BOPFTXTBSA-N 415.902 4.817 0 40 HJAB C[C@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1cc2ccccc2o1 8271851 BFTLZZVEULCHOO-KRWDZBQOSA-N 414.461 4.941 0 40 HJAB O=C(Cc1csc(-c2cccnc2)n1)N1CCC[C@@H]1c1nc2ccccc2s1 9583343 GLJRDGLNKMHFOG-QGZVFWFLSA-N 406.536 4.721 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1 10009719 HYMSZLLMLJDZTG-UHFFFAOYSA-N 410.879 4.594 0 40 HJAB O=C1CCCN1c1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1Cl 12936920 YAVQETMSNWPTEL-UHFFFAOYSA-N 419.717 4.574 0 40 HJAB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 13072524 KDPRAXRJYHMSFP-SECBINFHSA-N 418.824 4.644 0 40 HJAB CC(C)n1nccc1NC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 14013918 JCFOBESVRAGDPT-UHFFFAOYSA-N 424.574 4.823 0 40 HJAB CC(C)(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 15049400 VSMMFMJKZYPTBN-PDGQHHTCSA-N 412.486 4.798 0 40 HJAB c1csc(CN2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)c1 15675662 DURRZYNKFJZRBI-NRFANRHFSA-N 413.506 4.974 0 40 HJAB biogenic,in-vitro CCO[C@H]1Oc2ccccc2-c2oc(=O)c(-c3cc(=O)oc4cc(C)ccc34)cc21 16687968 MHJBNTYOSNODCP-DEOSSOPVSA-N 402.402 4.816 0 40 HJAB CCc1ccc(-c2nc(C)c(C(=O)NCC(=O)Nc3c(C)cccc3C)s2)cc1 18183462 BZCVHCQAQSYSFO-UHFFFAOYSA-N 407.539 4.666 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@H]3CC=CCC3)C1)N2 19083954 SOEYOYUNSJDPLY-XLAORIBOSA-N 420.548 4.766 0 40 HJAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1Cl)c1cc(-c2ccco2)on1 19349759 BXLFBCOZXOHGSW-KRWDZBQOSA-N 422.872 4.640 0 40 HJAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C2CCC2)C1 19528428 NPXVZRPDQMNEFO-XMMPIXPASA-N 410.583 4.503 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](c3cc4c(C)c(OC)ccc4cn3)C2)c(OC)c1 19582667 FIXTVXKVHPIXBR-SFHVURJKSA-N 420.509 4.589 0 40 HJAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN2C(=O)c2cn(C)nc2C)n1 19690715 YXSFLQGKEHXPHP-QFIPXVFZSA-N 408.933 4.653 0 40 HJAB COc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1-c1ccc(CO)o1 20151207 PKGUVDWPCROKNO-UHFFFAOYSA-N 403.887 4.832 0 40 HJAB Cc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5C)nc4nc3C2)cc1 20632449 NGOYBHWFNQOGAF-IBGZPJMESA-N 414.534 4.946 0 40 HJAB Cc1cc(NC(=O)c2ccccc2SC[C@H]2CCCO2)ccc1N1CCCC1=O 21597917 SVRVIHHAAQTHNM-GOSISDBHSA-N 410.539 4.645 0 40 HJAB CCCCn1nc(C)c(/C=C/C(=O)N(CC)Cc2ccc(OC)c(OC)c2)c1Cl 23325923 BBYAXHRMUQOEFJ-ZRDIBKRKSA-N 419.953 4.724 0 40 HJAB CCCCOc1ccc(C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1 24756693 HCLMQIQHPPJVHA-JOCHJYFZSA-N 408.542 4.584 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1C(=O)N1CCCC1 26115121 RCQMECMDAGWZKL-UHFFFAOYSA-N 418.584 4.569 0 40 HJAB COc1ccc(CNCc2ccc(N3CCCC3)nc2)cc1OCc1ccccc1 30900196 TYXPJOLTLVTEKQ-UHFFFAOYSA-N 403.526 4.559 0 40 HJAB Cc1sc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(C(N)=O)c1-c1ccccc1 32776931 KTGKNRMIJLXVBD-GFCCVEGCSA-N 414.914 4.882 0 40 HJAB O=C(Nc1ccc(Br)cc1)C1CCN(Cc2ccccc2Cl)CC1 39773422 MVXUCENLODZRRO-UHFFFAOYSA-N 407.739 4.953 0 40 HJAB C[C@@H](Cc1c(F)cccc1F)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 40155928 KMHSQTSQYYZQSS-ZDUSSCGKSA-N 404.844 4.953 0 40 HJAB Cc1c[nH]c(=O)n1-c1cccc(NC(=O)c2sc3cc(F)ccc3c2Cl)c1 63671906 PYJSZDAPRWOXTJ-UHFFFAOYSA-N 401.850 4.734 0 40 HJAB Cc1ccccc1NC(=O)Cc1nc(CN2CCSC[C@@H]2c2ccccc2)cs1 72309168 TYYZHRJASOZBNC-OAQYLSRUSA-N 423.607 4.923 0 40 HJAB O=C(NCc1nccn1CCCc1ccccc1)Nc1cccc(OC(F)(F)F)c1 79051630 QBGPRNOXZVFYEP-UHFFFAOYSA-N 418.419 4.736 0 40 HJAB Cc1ccc(C(=O)N2CCSCC2)cc1NCc1cc(=O)oc2c(C)c(C)ccc12 84209920 VTDAVGJHIOOZBY-UHFFFAOYSA-N 422.550 4.519 0 40 HJAB OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2cccc(OC(F)F)c2)SC1 95480013 SEBBBSAGIJHUJT-GOSISDBHSA-N 401.438 4.957 0 40 HJAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCc1cccs1)n2C(=O)N(C)C 96037362 MKXIIQKAGLTXNP-UHFFFAOYSA-N 408.527 4.698 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2c[nH]nc2-c2ccccc2)S1 96117085 VMNABKYRQLHYGG-DNVCBOLYSA-N 423.542 4.583 0 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224388332 HTCGPJYCXPBWJT-FQEVSTJZSA-N 400.950 4.605 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 224813655 PROOAPDNHZONMS-KRWDZBQOSA-N 418.990 4.517 0 40 HJAB S=C(NCc1ccc(-n2ccnc2)cc1)Nc1ccc(Br)c(Cl)c1 225453984 YCKLKFYEODVXIE-UHFFFAOYSA-N 421.751 4.775 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CSCc1ccccc1C 225699974 AVNIKRUPRRNMGK-QFIPXVFZSA-N 412.599 4.560 0 40 HJAB CCCCC(=O)N1CCC[C@H]1c1nc(CCc2ccc(F)cc2)c(C(=O)O)s1 257241392 HXXBZFRGMQBDGO-KRWDZBQOSA-N 404.507 4.619 0 40 HJAB COCCCNC(=O)CCc1ccc2c(c1)C[C@](C)(Cc1ccc(C(C)C)cc1)O2 257281318 OOPQBHPDJTVMLB-SANMLTNESA-N 409.570 4.832 0 40 HJAB CC1=C(C)C[C@H](C(=O)N2CCC(c3cncc(Nc4cccc(C)n4)n3)CC2)CC1 257296302 RCDOBOWGYLBWDW-HXUWFJFHSA-N 405.546 4.766 0 40 HJAB CSc1nc(N2CCCC2)c2cc(C(=O)NCc3ccc(Cl)cc3)sc2n1 408617031 BCMNCOHIWNJNNP-UHFFFAOYSA-N 418.975 4.597 0 40 HJAB CC1(C)Cc2cccc(OCC(=O)Nc3ccccc3-c3cn4c(n3)CCCC4)c2O1 585417953 HFLKUKWIJGHPMR-UHFFFAOYSA-N 417.509 4.617 0 40 HJAB Cc1ccc(-n2nc(C)c3c(N)c4c(nc32)C[C@@H](c2ccc(F)cc2)CC4=O)cc1 618257401 WYOPDNZVNLKLHZ-MRXNPFEDSA-N 400.457 4.671 0 40 HJAB CCCCCCc1cc2c(=O)c(-c3ccc(C(=O)OC)o3)coc2cc1OC(C)=O 1806962 LINGAVHPSKEAIJ-UHFFFAOYSA-N 412.438 4.888 0 40 HJAB COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1 2250173 IRJGTLBCRVKZEP-LOSJGSFVSA-N 422.488 4.808 0 40 HJAB CCN(CC)[P@]1(=O)OC(c2ccc(F)cc2)=Nc2c1c(C)nn2-c1ccccc1 3171706 PVCUUNMOQBREEG-GDLZYMKVSA-N 412.405 4.589 0 40 HJAB Cc1cccc(OCC(=O)Nc2nc(SC34CC5CC(CC(C5)C3)C4)ns2)c1 4744127 ITSXROZJHWCYDO-UHFFFAOYSA-N 415.584 4.925 0 40 HJAB C[C@@H](Sc1nnc(COc2cccc3ccccc23)n1-c1ccccc1)C(=O)O 5015003 HFLDQTSTAMSRBW-OAHLLOKOSA-N 405.479 4.565 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 5206028 RKQHKHJJNIBENX-UHFFFAOYSA-N 413.880 4.634 0 40 HJAB CCOC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 5250293 XIJYGJRTVIJCGW-GZTJUZNOSA-N 416.886 4.623 0 40 HJAB O=C(CCNC(=O)c1ccccc1Cl)NCCC(c1ccccc1)c1ccccc1 5681820 CRTOGUNPPVISTD-UHFFFAOYSA-N 420.940 4.798 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(F)cc1F)c1ccccc1 6354496 AVVNHESIACSNFI-NRFANRHFSA-N 411.404 4.819 0 40 HJAB Cc1ccc2nc(SCc3nnc(-c4ccccc4Br)o3)[nH]c2c1 6506743 FTZIBMPFJAXYCD-UHFFFAOYSA-N 401.289 4.976 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1Br 6595873 LQGVQBMRKNGPEI-UHFFFAOYSA-N 403.320 4.696 0 40 HJAB Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccccn2)c1 6607325 ZCVCXXSGNUFSIO-UHFFFAOYSA-N 415.522 4.742 0 40 HJAB COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCc1ccccc1 6662199 GXJKIMMTFCVIFZ-UHFFFAOYSA-N 409.873 4.709 0 40 HJAB COc1ccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 6679034 VKGSVTBEPTZPKX-YCRPNKLZSA-N 423.538 4.670 0 40 HJAB COC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1C(C)C 6831970 LSALULZIZOZTCV-OAHLLOKOSA-N 411.527 4.720 0 40 HJAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2sccc2C)C(=O)O)[nH]1 7342188 JSSWMRZYMHRZAV-ZSOIEALJSA-N 407.904 4.721 0 40 HJAB Cc1nc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c(C(N)=O)c(C)c1C 8704917 FZIQUXAVAUVURR-QGZVFWFLSA-N 419.550 4.892 0 40 HJAB CCC1CCC2(CC1)Nc1ccccc1C(=O)N2c1ccc(N2CCOCC2)cc1 8993012 VLWMSGZHJOQFFD-UHFFFAOYSA-N 405.542 4.892 0 40 HJAB CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1C1CC1 9512809 USSCUIZAOSLBRZ-NSHDSACASA-N 417.535 4.557 0 40 HJAB Cc1sc2ncn(Cc3cc(Cl)c4c(c3)OCCO4)c(=O)c2c1-c1ccccc1 9691061 ZXPSYZUVFBDLSC-UHFFFAOYSA-N 424.909 4.906 0 40 HJAB Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)n2)cc1 10253533 GFEKSYFGWHZJIW-UHFFFAOYSA-N 400.525 4.553 0 40 HJAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4)sc3n2)cc1OC 12250927 BDQAWXUELJHGTG-UHFFFAOYSA-N 405.479 4.815 0 40 HJAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)c2ccco2)n(C2CCCC2)c1C 12321359 MRFIVTJDRXKFOG-UHFFFAOYSA-N 412.511 4.898 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(Cl)ccc1N1CCCC1 12557384 MKKURSBADACUAI-JOCHJYFZSA-N 409.917 4.843 0 40 HJAB CN(Cn1nc(-c2ccccc2)[nH]c1=S)[C@@H](c1ccc(Cl)cc1)c1nccn1C 12740034 QCUHGTBMSMYNEU-SFHVURJKSA-N 424.961 4.673 0 40 HJAB O=C(CNc1cc(Cl)ccc1OCC(F)(F)F)Nc1ccccc1OC(F)F 12911274 UKVVKOCNAQRSRU-UHFFFAOYSA-N 424.753 4.933 0 40 HJAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c1 13583478 GNCUNCFBSGVUCE-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB CCCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 13946193 BMNITFZENWEKLT-UHFFFAOYSA-N 404.445 4.991 0 40 HJAB Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1Cl 14069797 BGQVWPDPQKHFFI-UHFFFAOYSA-N 411.289 4.659 0 40 HJAB O=Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1SC(F)F 14073585 SHASDIUFLKEDDF-UHFFFAOYSA-N 416.243 4.594 0 40 HJAB COc1ccc(C(C)=O)cc1CSCC(=O)N[C@@H]1CCSc2ccc(F)cc21 14232506 LDRBMEMFTUAFRW-GOSISDBHSA-N 419.543 4.623 0 40 HJAB CC(C)OC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 14416200 NGIIOBPVWUFQMR-UHFFFAOYSA-N 414.408 4.756 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 14495227 GAQAOOYUAPHMPB-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3ncc(-c4ccc(F)cc4)o3)C2=O)cc1 15551668 PFWVVRGLFHZROW-DEOSSOPVSA-N 421.472 4.745 0 40 HJAB Cc1cccc(OC[C@@H](O)Cn2c(COc3ccccc3)nc3ccccc32)c1C 15860748 FJFMTXSTZZYOES-FQEVSTJZSA-N 402.494 4.672 0 40 HJAB COc1ccc(OC)c(C(=O)COC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 15910796 GTGIOLMIPMWRIX-QHCPKHFHSA-N 422.502 4.963 0 40 HJAB Cc1sc(N2CCCC2)nc1-c1cc(Br)cc(Br)c1O 16265044 GDZMQTKKKZAYIK-UHFFFAOYSA-N 418.154 4.949 0 40 HJAB COc1cc(-c2cc(=O)n3c(n2)CCCCC3)ccc1OC(=O)c1ccc(Cl)cc1 16769257 AQMSYIGYTISLOU-UHFFFAOYSA-N 424.884 4.518 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1sc2ccccc2c1Cl 17975292 HBXYFCMGRCCJON-UHFFFAOYSA-N 423.321 4.927 0 40 HJAB Cc1ncc(-c2ccncc2C)c([C@H]2CCCCN2C(=O)c2cc(C(C)C)no2)n1 19239744 IDEAVDFAUZFDGM-HXUWFJFHSA-N 405.502 4.634 0 40 HJAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(C[C@@H](C)c2ccccc2)C1 19456047 FXAKAGBHVQPKDR-JIPXPUAJSA-N 413.565 4.533 0 40 HJAB COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccsc2)C1 19568966 NCCGPZKAXYQFCC-CVDCTZTESA-N 421.566 4.535 0 40 HJAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C2CCCC2)C1 19579806 ICEPLPLKQLZLAS-AREMUKBSSA-N 422.544 4.532 0 40 HJAB CN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C(C)(C)C)CC1 19700459 TVZGYTYEXGPEIX-UHFFFAOYSA-N 406.570 4.639 0 40 HJAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(Cc2ccccc2F)CC1 22789292 VNNIZKVVMXJMLO-FQEVSTJZSA-N 417.528 4.638 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(Cn4ccccc4=O)o3)n2)cc1C 23750033 WPTFAFRQTGNIRW-UHFFFAOYSA-N 419.506 4.791 0 40 HJAB COc1ccc(CCNC(=O)[C@H](C)SCc2c(C)cc(C)c(C(C)=O)c2C)cc1 25691155 OHXPEAYIXMIIRY-IBGZPJMESA-N 413.583 4.804 0 40 HJAB C[C@H](c1cc2ccccc2o1)N(C)Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 26925053 JZVPGEJZBFXBDF-CQSZACIVSA-N 424.501 4.546 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)c1 28206843 KBMQPSYJVQUINV-GOSISDBHSA-N 420.534 4.696 0 40 HJAB C[C@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 30229721 YLHVXQXUHYEQNA-AOMKIAJQSA-N 421.928 4.984 0 40 HJAB CC(C)c1ccccc1OC[C@H](O)COc1cccc(C(=O)NCc2ccccc2)c1 30597188 QJJZLBLPKRIWHW-JOCHJYFZSA-N 419.521 4.559 0 40 HJAB Cc1sc2c(c1C)c1nc(-c3ccco3)nn1c(=O)n2Cc1ccc(Cl)cc1 32104555 SRLAUWPJFVNWJV-UHFFFAOYSA-N 410.886 4.684 0 40 HJAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1 32808546 KWLOQPOEXQYWIN-UHFFFAOYSA-N 400.544 4.726 0 40 HJAB CCc1ccc(NC(=O)C2CCN(c3ncnc4c3sc3ncccc34)CC2)cc1 32951524 MIPDOOVOGBODJB-UHFFFAOYSA-N 417.538 4.657 0 40 HJAB C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccccc2Cl)n1C 33599727 PZLRWBDQIAETAG-GFCCVEGCSA-N 421.353 4.905 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CS[C@@H]2c3ccccc3C(=O)N12 36585006 KLDYPXRCRYXCRR-RHSMWYFYSA-N 412.820 4.567 0 40 HJAB O=C(CCSc1nnc(Cc2ccccc2)o1)Nc1ccc(Br)cc1 40127265 QXYYVMBQBUYKIB-UHFFFAOYSA-N 418.316 4.544 0 40 HJAB CCOC(=O)CSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(Cl)cc1 44087515 YKNPYJBDZBXSBX-UHFFFAOYSA-N 402.903 4.857 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2C)c1 44901579 NHRCAOYDMWCCFQ-UHFFFAOYSA-N 414.571 4.817 0 40 HJAB O=c1[nH]c(-c2ccnc(-n3cccn3)c2)nc2cc(-c3ccccc3Cl)sc12 53856984 ZRRCRPTZOAUWMK-UHFFFAOYSA-N 405.870 4.553 0 40 HJAB CCCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2ccsc2c1=O 57425172 DLWLTOSPBZTGKZ-UHFFFAOYSA-N 401.557 4.722 0 40 HJAB CC(C)(C)n1nnnc1[C@@H](c1cccs1)N(Cc1ccccc1)Cc1ccco1 57614058 DYYNFEFKNVBOOC-HXUWFJFHSA-N 407.543 4.874 0 40 HJAB O=C(Cc1cccnc1)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 72349411 ZVVNERDFEREDJC-UHFFFAOYSA-N 405.929 4.670 0 40 HJAB Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(Cc3cccc4ncccc34)C2)n1 72375036 TWURQWOAKXHDGB-FQEVSTJZSA-N 410.525 4.851 0 40 HJAB CN[C@@H](c1ccc(Br)cc1)c1nc(-c2ccc(Br)cc2)c[nH]1 72414101 DCCIVDCUBFIOIS-INIZCTEOSA-N 421.136 4.911 0 40 HJAB CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2c1 85914776 YOFPIQPIAWDZSZ-YFBXQHAESA-N 411.546 4.789 0 40 HJAB Cc1ccc(C)c([C@@H]2C[C@H]3C[C@H]2[C@@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)c1 102638589 DVHJAOIKKDPRIM-MBOWVQHQSA-N 424.338 4.995 0 40 HJAB CCc1ccccc1NC(=O)C(=O)CC(=O)c1sc(Nc2ccccc2)nc1C 102981802 WAQXUMXDRYGYNF-UHFFFAOYSA-N 407.495 4.538 0 40 HJAB CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 103718374 WUUOJHAAHKKQAN-CYBMUJFWSA-N 407.297 4.774 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2cccc(C)c2C)cc1 113937940 ADIAUOFAEUJPRO-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB COc1cc([C@@H]2CC(c3c(O)oc(C)cc3=O)=Nc3ccccc3S2)ccc1O 137817810 GSXARWKBUWXWEH-FQEVSTJZSA-N 409.463 4.726 0 40 HJAB COc1ccc([C@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1OC 216296924 XFPXKCZNXYPDQF-ZDUSSCGKSA-N 424.360 4.577 0 40 HJAB CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1OCC 216324353 RIEUXXIPALYPJT-UHFFFAOYSA-N 424.541 4.681 0 40 HJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(OC)c(OC)c1 219385413 FQZPSAQNRDKFIN-FQEVSTJZSA-N 407.963 4.977 0 40 HJAB CN(c1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1)S(=O)(=O)c1ccccc1 222531940 WPDGSSRFKDNKIZ-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 222553003 ICCDKTAPKLGTDF-HXUWFJFHSA-N 421.368 4.868 0 40 HJAB Cc1ccc(CN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222782897 GKMOFHKLYOPGHM-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)OC)cc2)o1 222902243 GPGOFHSNTGHWHR-SFTDATJTSA-N 421.522 4.511 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 223606839 SLCKCEKARIDISF-NRFANRHFSA-N 418.940 4.745 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 224641731 DZKFLGAASHHHNE-VWLOTQADSA-N 420.597 4.755 0 40 HJAB CC[C@H](NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1)c1ccc(C)cc1 224880733 RMJJJGMYGHVNFV-SFHVURJKSA-N 420.600 4.741 0 40 HJAB COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225023549 JWQRKTNZLCHEBY-PKTZIBPZSA-N 418.566 4.796 0 40 HJAB O=C(COc1cccc2c1CCCC2)Nc1nnc(SCc2ccccc2)s1 225521628 YYUACMZKJFRSEV-UHFFFAOYSA-N 411.552 4.727 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)n1 257223826 DZBQFOGUWFRVSA-HXUWFJFHSA-N 420.532 4.875 0 40 HJAB O=C(c1ccccc1-c1ccccc1)N1CCOC[C@@H](Cc2cccc3[nH]ncc23)C1 257337314 YSHSPUGOLMDXQR-IBGZPJMESA-N 411.505 4.561 0 40 HJAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 409002754 PTDWCTRTGKWNPF-JOCHJYFZSA-N 414.461 4.620 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccccc2Br)c(Cl)c1Cl 409139829 BTGNUFUNJICFKP-UHFFFAOYSA-N 411.104 4.565 0 40 HJAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409199501 DCSLDWWFTSTXCT-YXHQGMJNSA-N 419.886 4.978 0 40 HJAB O=C(Nc1cccc(Cl)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 409382649 WOAPONMAPRSKOG-NRFANRHFSA-N 412.898 4.960 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)c1 409411883 MWBBVPFKJZUVFK-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)NC[C@H](OC)c2cccc(Cl)c2)cc1F 1684941902 XRFCARLDMMCSNS-QUCCMNQESA-N 406.885 4.722 0 40 HJAB COC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CC[C@@H](C(C)(C)C)C2 689176 OOOCZQSXSWFSEO-CYBMUJFWSA-N 415.511 4.667 0 40 HJAB COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)c1 703976 BBEOFYGQKMQLHT-HSZRJFAPSA-N 411.457 4.855 0 40 HJAB O=C(c1nn2c(c1Cl)N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCCC1 867013 IXSORWZQEOSZMV-QWHCGFSZSA-N 416.806 4.572 0 40 HJAB Cc1ccc2cc(CN(CCc3ccccc3C)C(=O)c3ccco3)c(=O)[nH]c2c1 1359126 QPAXAQKCIXPZAZ-UHFFFAOYSA-N 400.478 4.623 0 40 HJAB COc1cc(NC(=O)c2cccc(OCC(C)C)c2)ccc1NC(=O)c1ccco1 1411753 IEWPDOVJCXMPMK-UHFFFAOYSA-N 408.454 4.828 0 40 HJAB CC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(OCc2ccccc2)cc1 2222677 NURNGRBKIZFTRI-YCRPNKLZSA-N 423.538 4.913 0 40 HJAB O=c1c2c3c(sc2n(Cc2ccccc2)c(=O)n1-c1cccc(Cl)c1)CCCC3 2240314 HYFGTWFUIDPPLD-UHFFFAOYSA-N 422.937 4.794 0 40 HJAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cccc(Cl)c2)cc1 2372669 SGKDPGWTCLMBSL-UHFFFAOYSA-N 406.869 4.805 0 40 HJAB CCCn1nc(NC(=O)c2ccc(OC)c(OC)c2)c2cc3ccc(C)cc3nc21 2440096 GPWPSOJKUNOJLM-UHFFFAOYSA-N 404.470 4.572 0 40 HJAB O=C(CSCC(=O)Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(F)cc1 2888481 TVYHPJRLQHHGBV-UHFFFAOYSA-N 410.470 4.928 0 40 HJAB O=C(COC(=O)c1ccc(O)cc1)Nc1ccccc1Sc1ccc(Cl)cc1 3274356 AMDALKUMSPSRNX-UHFFFAOYSA-N 413.882 4.992 0 40 HJAB Cc1cccc(-n2nc3c(c2NC(=O)c2cccc(Br)c2)CSC3)c1 4223318 LDGUPUUEFATOMN-UHFFFAOYSA-N 414.328 4.942 0 40 HJAB CCCCCOc1cccc(C=NNc2cnn(-c3ccccc3)c(=O)c2Cl)c1 4423404 VQUKGPDHBJDTCD-UHFFFAOYSA-N 410.905 4.901 0 40 HJAB COc1ccc(-c2nc(Nc3ccc(F)c(F)c3F)sc2CCC(=O)O)cc1 4672168 LCDWTZSUDUIZIG-UHFFFAOYSA-N 408.401 4.997 0 40 HJAB O=C(O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 4690865 PRKMIPZOFZEYSB-OQLLNIDSSA-N 405.884 4.612 0 40 HJAB CCCN1C(=O)N(c2ccccc2C)[C@@H](N(O)C(=O)Nc2ccccc2C)C1(C)C 4728773 JOGLCVRHMYPQID-FQEVSTJZSA-N 410.518 4.983 0 40 HJAB O=C(NCc1cccs1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 4859769 SQOWGZOEORXAOR-ZBFHGGJFSA-N 406.433 4.535 0 40 HJAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1cccc(C)c1 5043061 IDAYKZGFQVOWGI-KXBFYZLASA-N 403.276 4.536 0 40 HJAB COc1ccc(/C=C/C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1OC 5403656 HMEWOCCYMPRUNH-RVDMUPIBSA-N 417.461 4.713 0 40 HJAB CC[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1)C(=O)OC 6387840 PQRHSZWQVCTIMF-SFHVURJKSA-N 410.474 4.598 0 40 HJAB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ncccc3C)[C@@H]2c2cccs2)cc1 6604523 FCSYWOUWMQJFTQ-GHTZIAJQSA-N 405.523 4.883 0 40 HJAB COc1ccc(-c2nc(-c3ccc(-c4ccc(C)cc4)nc3OC)no2)cc1OC 6732839 YEIAQKQVONLZFN-UHFFFAOYSA-N 403.438 4.800 0 40 HJAB COc1cccc(CN(C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)c1 6937190 RDKYIQXDMXFMCP-ZEQKJWHPSA-N 405.538 4.603 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccs3)cc2)c(C)c1 6964502 ACOQYIXAZDKTTO-UHFFFAOYSA-N 409.536 4.744 0 40 HJAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CSc1ccccn1 7699325 ANKKDGITNFNRTC-UHFFFAOYSA-N 404.538 4.779 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 7875037 GHKMELGVOZLEJX-UHFFFAOYSA-N 407.297 4.573 0 40 HJAB CCOC(=O)c1ccc(N[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)cc1 8160492 QHGRZNGFTAQBAZ-QFIPXVFZSA-N 404.466 4.664 0 40 HJAB Nc1nc2n(n1)[C@@H](c1c(F)cccc1Cl)C[C@H](c1ccc(Br)cc1)N2 9805618 JUPSJZLFMGUQSX-ZIAGYGMSSA-N 422.689 4.562 0 40 HJAB C[C@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 9910157 OMDROCZAQPXTJL-MBSDFSHPSA-N 414.505 4.900 0 40 HJAB O=C(NCCC1CCCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 10112615 MAUYFJFGJYYHKC-UHFFFAOYSA-N 400.544 4.578 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CCCCCC3)c2C)cc1 10368999 IFFYOQOFZZMAHT-UHFFFAOYSA-N 400.544 4.557 0 40 HJAB COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(OC)cc2)cc1 12124313 LKCCESQZLITANT-ILBGXUMGSA-N 416.477 4.955 0 40 HJAB Cc1nc(COc2cccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)c2)cs1 12581124 AOPNCIKMSPZWBO-OAQYLSRUSA-N 418.522 4.884 0 40 HJAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)c1 12784285 NCWIFJKCJOJAMD-LZGZYFLISA-N 400.950 4.794 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(Br)cc2)c(OC)c1 12793085 DJIQFOWJKUDARW-LKQLOZHYSA-N 416.315 4.843 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(S(=O)(=O)C(F)F)cc1 12811860 PFEXXPMCKQFPQQ-UHFFFAOYSA-N 413.751 4.607 0 40 HJAB COC(=O)C[C@H](NC(=O)c1sc(-c2ccsc2)nc1C)c1ccccc1Cl 12859657 SMVUBLBVHIWARB-HNNXBMFYSA-N 420.943 4.868 0 40 HJAB CCc1ccc(-c2nc(SCC(=O)NC[C@@H]3CCCO3)c(-c3ccccc3)[nH]2)cc1 13365799 SQFDLIHBNQVALY-FQEVSTJZSA-N 421.566 4.693 0 40 HJAB S=C(c1ccc(Br)cc1)N1CCN(c2nsc3ccccc23)CC1 13693703 ANFYVOUAHRDYRN-UHFFFAOYSA-N 418.385 4.557 0 40 HJAB CC[C@H](C(=O)Nc1cccc2ccccc12)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716138 FFXVRHFIWMZVPB-JOCHJYFZSA-N 410.539 4.640 0 40 HJAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1cccs1 13722586 MVHTVAPZFUJRJT-UHFFFAOYSA-N 416.568 4.970 0 40 HJAB O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1)Nc1cccc(F)c1 16399163 OIXJDXYMRROCCN-HOTGVXAUSA-N 416.472 4.714 0 40 HJAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 16713243 KVXDLGMGNYRHGG-BOPFTXTBSA-N 400.887 4.577 0 40 HJAB CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(F)c2)s1 16742539 ZNWRMDGGWILNQQ-QGZVFWFLSA-N 421.453 4.657 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)c(O)n2)c(C)c1 16777487 RJWPDFGTCSYKRC-UHFFFAOYSA-N 422.554 4.889 0 40 HJAB CCCCCn1c(SCc2nc(-c3ccccc3)no2)nc2ccsc2c1=O 16843286 JMXTZKJIGUHQJA-UHFFFAOYSA-N 412.540 4.991 0 40 HJAB COc1ccc([C@@H]2CN(Cc3ccccc3)[C@H]3CCN(C(=O)C(C)(C)C)C[C@H]32)cc1 19081505 XUZVGYMXGBRZFV-HJOGWXRNSA-N 406.570 4.558 0 40 HJAB COc1ccc(-c2ncc(CN[C@H](Cc3ccsc3)c3ncccc3C)cn2)cc1 19237663 VJRQWYFJLWVRCE-JOCHJYFZSA-N 416.550 4.991 0 40 HJAB CCOc1ccc(-n2nc3ccc(NC(=O)CSc4ccccc4)cc3n2)cc1 20610269 FGRDJLJGISITEJ-UHFFFAOYSA-N 404.495 4.550 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3cccc(Cl)c3)nnc2c1-c1ccc(F)cc1 20672732 XWILSRONXKOVHN-UHFFFAOYSA-N 409.852 4.707 0 40 HJAB O=C(c1ccc(COCC(F)(F)F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 22326407 VRZHOOVWJPELNR-SFHVURJKSA-N 421.415 4.514 0 40 HJAB CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1ccc(OC2CCCC2)c(OC)c1 22931898 NNBDWDGNSHBVGR-QHCPKHFHSA-N 423.601 4.898 0 40 HJAB Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)C(C)C 23546935 KLHSSIWQQSXYND-BEFAXECRSA-N 406.448 4.646 0 40 HJAB Cc1ccc([C@@H]2C(c3nc4ccccc4s3)=C(O)C(=O)N2c2nnc(C)s2)cc1 24334757 ZSEWFYNOPUHBRE-QGZVFWFLSA-N 420.519 4.822 0 40 HJAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1cccc(OCc2ccccc2)c1 24928785 SPVMYHOLDQSXRI-UHFFFAOYSA-N 400.478 4.544 0 40 HJAB O=C(Nc1ccc(Cl)cc1)Nc1cnn(Cc2ccc(Br)cc2)c1 27920854 BSWSLKYOEWFPEU-UHFFFAOYSA-N 405.683 4.991 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)cc1 28286970 MSWKAKHNKBXDHQ-HNNXBMFYSA-N 420.465 4.874 0 40 HJAB O=C(Nc1nc(SCCOc2ccccc2)ns1)Nc1ccc(F)cc1F 35314227 ZPOAHHZBJQMBKK-UHFFFAOYSA-N 408.455 4.631 0 40 HJAB Cn1c(C(F)(F)F)nc2cc(NC(=O)c3noc4c3C[C@@H](C(C)(C)C)CC4)ccc21 35316584 XFEBYBLEWUBPFI-NSHDSACASA-N 420.435 4.983 0 40 HJAB O=C1CSc2ccc(C(=O)NCc3ccc(-c4nc5ccccc5s4)o3)cc2N1 40024675 MAROXMWIBOUCAA-UHFFFAOYSA-N 421.503 4.531 0 40 HJAB O=C(c1ccc(Br)cc1)N1CCc2c3n(c4ccccc24)C(=O)CC[C@@H]31 40373451 SDKPSSQAEYBIIH-SFHVURJKSA-N 409.283 4.577 0 40 HJAB CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 44803796 HWFYTUXIQYARFN-INIZCTEOSA-N 424.932 4.927 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875460 IRVTVNHUDOLJMC-QFIPXVFZSA-N 400.950 4.800 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)cc1 72349557 HKSAVCITBQEGLJ-LJQANCHMSA-N 404.485 4.845 0 40 HJAB CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)Nc1nnc(C2CC2)s1 72404174 HSWYMDPQTKEGSJ-CYBMUJFWSA-N 412.342 4.873 0 40 HJAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@H](OC(C)=O)[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 90760138 VYZPGMGWYUEREY-AWUZTYEYSA-N 418.574 4.708 0 40 HJAB O=C(c1ccc(-n2cccc2)cc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96096576 YLJOJINYKIMUQD-UHFFFAOYSA-N 404.495 4.609 0 40 HJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)Cc3ccc(F)cc3)CC2)n1 100738827 GPSCZEJIANJJTP-TYKWCNGQSA-N 418.516 4.619 0 40 HJAB O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(Br)c1 199769737 VRVUCYWHGCWYLT-UHFFFAOYSA-N 414.630 4.922 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 222459019 KFSGNKVDQQFTNP-JOCHJYFZSA-N 412.599 4.728 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 222540607 YNVAROBRONVBRD-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 223447666 XZPRQJMICKUDJX-HXUWFJFHSA-N 418.940 4.744 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1Cc1ccccn1 223557636 CRPYNZXINCRYPS-FCHUYYIVSA-N 403.555 4.566 0 40 HJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 223750982 ZRCSNGSNYYUDPZ-GOSISDBHSA-N 412.961 4.749 0 40 HJAB CCCC[C@@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 224088761 VOZGTCMMMYWXKZ-GOSISDBHSA-N 402.560 4.742 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 224353606 LKYYBSDHVRMXPH-IBGZPJMESA-N 422.953 4.515 0 40 HJAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)s2)c1 224827493 VYYORAIYDAFYOI-UXHICEINSA-N 411.552 4.646 0 40 HJAB CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 224942254 SEUGGNJLRWERHT-UHFFFAOYSA-N 422.717 4.649 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)N[C@@H](C)CC)cc1 225084210 SHWBRFMARQCXED-LEWJYISDSA-N 408.586 4.822 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 225095173 HBSNOJIYFKQSTC-JOCHJYFZSA-N 412.599 4.644 0 40 HJAB CCc1ccc(CC)c(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 225141734 CDBYKANKHMKRSL-UHFFFAOYSA-N 422.550 4.542 0 40 HJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)cc1)c1ccc(C)cc1 225156933 NLKMVMXMAPKXAH-NRPPHEFGSA-N 418.493 4.635 0 40 HJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1nc(-c2ccc(Cl)cc2)no1 225340264 XYHSQVKSPPPGIO-UHFFFAOYSA-N 410.688 4.946 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@H]1CCCc2ccccc21 225470201 NFJJFNFLDLPHQB-NRPPHEFGSA-N 400.478 4.553 0 40 HJAB COc1ccc2nc(C)c(C(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)cc2c1 226096036 RNIOURXRTIARGF-UHFFFAOYSA-N 416.481 4.901 0 40 HJAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 239328954 JWMCNGZAHWTGLW-IFYYMMSRSA-N 412.508 6.375 0 40 HJAB O=C(NC[C@H](c1ccco1)N1CCSCC1)C1(c2ccc(Cl)cc2)CCCC1 244969041 GVOWUEGOFKGQQJ-LJQANCHMSA-N 418.990 4.651 0 40 HJAB O=C(N[C@@H]1CC[C@H]2OCCO[C@@H]2C1)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 253472849 QCOKBBAEXPECJU-NSISKUIASA-N 406.309 4.727 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 253617334 RPBAJJRDQPLSHK-PEFJFYPKSA-N 406.607 4.566 0 40 HJAB O=C(c1ccccc1CN1CCCC1)N1CCC[C@@H](Cc2cccc3cccnc23)C1 257281251 OOHZBGBYKKOHPS-NRFANRHFSA-N 413.565 4.926 0 40 HJAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@H]2CCCN(Cc3cnn(C)c3C)C2)n1 257303616 SHYFAIWMPJRYPW-SFHVURJKSA-N 410.591 4.628 0 40 HJAB O=C(c1ccccc1)N1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 408970407 HMMDQXSCJVAJSP-UHFFFAOYSA-N 412.533 4.768 0 40 HJAB Cn1ccc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)cc21 1522673899 WJJCBSHCSWYBAJ-SFHVURJKSA-N 416.308 4.728 0 40 HJAB Cc1ccc(C2=NO[C@@H](C(=O)NCc3cc(Br)c4ccccc4c3)C2)cc1 1534559547 VKNRDZOUCSDIFG-OAQYLSRUSA-N 423.310 4.720 0 40 HJAB Cc1ccc(C(=O)N2CCC3(CC2)Cc2ccccc2CN(CC2CC2)C3=O)c(C)c1 1565549985 LRUHRJBYSNALIF-UHFFFAOYSA-N 416.565 4.521 0 40 HJAB Cc1cccnc1CN1CCC2(CC1)C[C@H](Cc1cccc(F)c1)N(CC(C)C)C2=O 1615160449 ZLZXPKJPTLIUNW-QHCPKHFHSA-N 423.576 4.611 0 40 HJAB COc1ccccc1Cc1cnc([C@H]2CCCCN2Cc2ccccc2C(=O)O)o1 1848353967 IZJJAOFWEOGDEK-OAQYLSRUSA-N 406.482 4.699 0 40 HJAB CC(C)c1noc(CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)n1 2086896645 HOVPBRNKWLHEHU-UHFFFAOYSA-N 414.513 4.578 0 40 HJAB COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2cccc(C)c2)c1C 871285 UNOOIIXMPMJKES-UHFFFAOYSA-N 422.506 4.965 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 904261 GMIIVDYRQRDTTN-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB CCOCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 2085614 KEOXNLIBILUHSQ-UHFFFAOYSA-N 400.569 4.514 0 40 HJAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(Br)cc3)NC(=O)CCN21 2295406 RFMQXAFEULLZCF-YUAYGMJFSA-N 411.343 4.785 0 40 HJAB Cc1cc(-c2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)nn1C(F)F 2731414 SFASRHYPAPWYAH-UHFFFAOYSA-N 421.864 4.747 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2OC)sc2c1CCCCCC2 2737768 HDNJKYQSEHLMKP-UHFFFAOYSA-N 417.527 4.853 0 40 HJAB Cc1ccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nnc2-c2cccnc2)c(C)c1 3430128 OSSXMIFXTLZUDF-UHFFFAOYSA-N 423.586 4.684 0 40 HJAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCCCC2)cc1OC 4146206 GFJZCDCWXPQGNY-LJQANCHMSA-N 408.498 4.916 0 40 HJAB Cc1ccc(S(=O)(=O)N2[C@@H](C(=O)c3ccccc3)[C@H]2c2ccccc2Cl)cc1 4659045 FMGFBRMSSVEZEI-YHNKWQPZSA-N 411.910 4.646 0 40 HJAB COc1cccc(NC(=O)[C@@H](Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)c1 7851794 IMDMZUAWKXXMTN-FQEVSTJZSA-N 420.538 4.971 0 40 HJAB CCc1ccccc1N1C[C@@H](C(=O)Nc2cc(C)c(Br)c(C)c2)CC1=O 7881976 GBRXSRPHNNTGRP-INIZCTEOSA-N 415.331 4.620 0 40 HJAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(Br)o3)sc2c1 8903199 DDYQKABWWBEYNR-UHFFFAOYSA-N 423.288 4.861 0 40 HJAB COc1ccccc1[C@@H](CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 8993433 MOUIMLNWDMHCMK-DEOSSOPVSA-N 400.522 4.566 0 40 HJAB COC(=O)C[C@H](NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 9389981 JBZJIOMOHMZEHS-VMSUTVGLSA-N 411.807 4.793 0 40 HJAB O=C(Nc1nc2ccc(F)cc2s1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9632422 RDIPUPZBNIPXHS-CYBMUJFWSA-N 417.893 4.580 0 40 HJAB CN(CCOc1ccccc1F)C(=O)c1cc(-c2ccccn2)nc2ccccc12 10999025 HJCBHNDGEIUJGN-UHFFFAOYSA-N 401.441 4.587 0 40 HJAB O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(NC(=O)c2ccco2)cc1 11535144 GCXWMSZLXMJAHJ-UHFFFAOYSA-N 423.519 4.576 0 40 HJAB Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 12224259 VXXIRBPIQCTALX-UHFFFAOYSA-N 423.904 4.585 0 40 HJAB CCc1nc(SCc2ccoc2C(=O)OC)nc(N)c1-c1ccc(Cl)cc1 12753952 UHAHEBGBNWOCGI-UHFFFAOYSA-N 403.891 4.614 0 40 HJAB CCOc1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc(OCC)c1OCC 12912885 DIALCHHNMQWHJL-HXUWFJFHSA-N 413.514 4.869 0 40 HJAB Cc1cccc(-n2c(S[C@@H](C)c3nc(C)no3)nc3cc(Cl)ccc3c2=O)c1 12933818 QZLWKGMYCPUKEW-LBPRGKRZSA-N 412.902 4.892 0 40 HJAB CN(CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1ccccc1Cl 13002052 UHOYCNIVVOFIJJ-UHFFFAOYSA-N 414.720 4.546 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2Cl)c1 14154252 FLGZJDWDJZUHCA-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB O=C(CSc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2)NCc1ccco1 16430260 UVWBSPGVONOKLT-UHFFFAOYSA-N 413.930 4.677 0 40 HJAB O=C(Nc1cccnc1)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 16499694 LOPCNAGTNRVEBZ-UHFFFAOYSA-N 423.451 4.933 0 40 HJAB COc1ccc(-c2nc(P(=O)(OC)OC)c(NCc3ccccc3Cl)o2)cc1 16751526 CHYCZLZHCWNDKW-UHFFFAOYSA-N 422.805 4.727 0 40 HJAB CC(=O)c1c(N2CCOCC2)nc2ccc(Br)cc2c1-c1ccccc1 19949900 WACAODLQXYRTOQ-UHFFFAOYSA-N 411.299 4.704 0 40 HJAB COc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1-c1ccc(CO)o1 20144763 BXCROWGPNYKRII-UHFFFAOYSA-N 415.873 4.897 0 40 HJAB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccccc2Cl)CC1 20412489 WTENNZGXLAMYBI-UHFFFAOYSA-N 420.340 4.550 0 40 HJAB Cc1ccc(CN(C)C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 20483633 PUCCMWCDDJXPGK-DEOSSOPVSA-N 420.534 4.634 0 40 HJAB O=C(CCc1cccnc1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 22471859 MCQPTNAQUZOGMA-UHFFFAOYSA-N 413.399 4.924 0 40 HJAB Cc1nc(COc2ccccc2C(=O)Nc2cccc(C3SCCS3)c2)no1 23695029 PXSXXMJDUPCXEM-UHFFFAOYSA-N 413.524 4.688 0 40 HJAB COc1cc(CN(C)C(=O)Cc2c(C)[nH]c3ccc(C)cc23)ccc1OC(F)F 24540370 IZVZRKKJQQEZIM-UHFFFAOYSA-N 402.441 4.596 0 40 HJAB Cc1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCN2CCOCC2)cc1 26506334 APHZMFRFPIHWJI-GYHWCHFESA-N 413.974 4.743 0 40 HJAB CCc1nc(C)c2c(C)c(C(=O)Nc3ccccc3C(=O)N[C@@H](C)CC)sc2n1 27389875 PRSAIIRBIIDSCH-LBPRGKRZSA-N 410.543 4.651 0 40 HJAB Cc1sc2nc(-c3ccc(C(=O)N(C)Cc4cccs4)cc3)nc(N)c2c1C 31347430 RVPDWCAVJYGSJB-UHFFFAOYSA-N 408.552 4.891 0 40 HJAB C[C@H](C(=O)Nc1ccccc1CN(C)C1CCCCC1)n1c(=O)oc2ccccc21 32904229 SFQGGHWTKBHFSZ-QGZVFWFLSA-N 407.514 4.559 0 40 HJAB COc1cccc(NC(=O)CN(C)C(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 32966478 QTTQTIMSWJZSLX-QHCPKHFHSA-N 420.534 4.626 0 40 HJAB Cc1ccc(-c2nsc3c(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)cnc23)cc1 33300039 MMFKOGWKQJJBJB-UHFFFAOYSA-N 418.522 4.591 0 40 HJAB COc1cc(/C=C/C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc(OC)c1OC 40157742 ACRBWZVYXOABJF-RMKNXTFCSA-N 419.437 4.501 0 40 HJAB C[C@@H]1Cc2ccccc2N1c1nc2ncn(-c3ccc(Cl)cc3)c(=S)c2c(=O)[nH]1 40385767 HRACOPYJBUZVQA-GFCCVEGCSA-N 421.913 4.574 0 40 HJAB COc1cccc(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 44906926 JIIGMXMYRPKYML-UHFFFAOYSA-N 414.549 4.616 0 40 HJAB C[C@H]1CCCN(c2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3ccccc23)C1 49421521 QOXMLUJAMAFJDY-HNNXBMFYSA-N 400.931 4.957 0 40 HJAB CCc1cc(=O)n(CC(=O)Nc2c(C)cccc2Cl)c(-c2cccc(Cl)c2)n1 57527793 HOTNMSXOFINKBH-UHFFFAOYSA-N 416.308 4.727 0 40 HJAB CCC(CC)(NC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1)c1ccc(Cl)cc1 58250626 RFUXXKWSKRKYGT-CQSZACIVSA-N 423.966 4.528 0 40 HJAB O=C(Nc1cccc(CSc2ccccn2)c1)[C@@H]1CCCN1C(=O)c1cccs1 62580406 WPQUEGIYQPLBLA-SFHVURJKSA-N 423.563 4.679 0 40 HJAB CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72214433 QVPQNDSZCPSKRU-IBGZPJMESA-N 411.502 4.927 0 40 HJAB Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)n2)n1 72375297 RJVXSBPKBZFHHC-FQEVSTJZSA-N 417.538 4.978 0 40 HJAB CC1(C)C[C@@H](NC(=O)C(C)(C)Oc2ccc([C@H]3CC3(Cl)Cl)cc2)CCO1 72403506 TXHIXEPDUGQYFH-GOEBONIOSA-N 400.346 4.579 0 40 HJAB C[C@H](NC(=O)c1ccc(Br)cc1F)c1noc(-c2ccc(Cl)cc2)n1 79024796 OPZDMUADQFBCQQ-VIFPVBQESA-N 424.657 4.783 0 40 HJAB Cc1c(CNC(=O)c2c(F)cccc2F)sc2nc(-c3ccc(F)cc3)cn12 90593772 NTQLCZVKPRZMBB-UHFFFAOYSA-N 401.413 4.719 0 40 HJAB CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 95938989 KKHNVUFTBKKQDE-CYBMUJFWSA-N 401.429 4.569 0 40 HJAB Cc1cc(C)c(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)c(Cl)c1 97994308 JRXPEMOTUCDGAR-CPNJWEJPSA-N 419.872 4.840 0 40 HJAB O=S(=O)(Nc1cccc(Cl)c1)c1cc(Br)cc(C(F)(F)F)c1 98073038 RWKLTUZDQIOIOM-UHFFFAOYSA-N 414.630 4.922 0 40 HJAB COc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(Br)cc23)cc1Cl 100890769 BPWLYGVLXGVMNM-KDOFPFPSSA-N 423.694 4.881 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 222823389 BNOKALBDODVCHV-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 223283464 NEXZSQGSAJPZMC-HXUWFJFHSA-N 421.368 4.706 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1Cc1ccncc1 223517006 FKUIYEDOCLZSNN-XZOQPEGZSA-N 417.582 4.956 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1Cc1ccccn1 223545084 DDLSSFSFAWCPLV-GOTSBHOMSA-N 417.582 4.956 0 40 HJAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C 223755637 JWIUJVMISDGQEL-FGZHOGPDSA-N 406.555 4.706 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)N[C@H](C)c3ccccc3)ccc2C)cc1 224306657 WZCPXGKOQGQZJQ-LJQANCHMSA-N 422.550 4.620 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 225066147 KBYQEWWYBJCQMH-XMMPIXPASA-N 424.560 4.933 0 40 HJAB CCOc1ccc(Nc2cc(C)nc(NC(=S)NCc3ccc(C)cc3)n2)cc1 225199833 VTFNMMKWEYHJHQ-UHFFFAOYSA-N 407.543 4.722 0 40 HJAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1 225582728 CVUJSOKDIIXMAQ-UHFFFAOYSA-N 424.324 4.706 0 40 HJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)cc1Cl 225642721 UBTCKPRZWPXDBM-AWEZNQCLSA-N 406.935 4.579 0 40 HJAB Cc1cc(C)cc(-c2cccc(CC3(C(=O)NC(C)(C)C[C@@H](C)O)CCOCC3)c2)c1 257223618 DYDLEUHBDHLKAO-OAQYLSRUSA-N 423.597 4.975 0 40 HJAB Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@H](Cc2cccc3cccnc23)C1 257271810 MZWMCWPHNRRQJD-OAQYLSRUSA-N 424.548 4.883 0 40 HJAB COc1ccc(OC)c(-c2ccc(OC(=O)c3ccc(Cl)cc3Cl)nn2)c1 408530643 JYLSMVHCAMGVSO-UHFFFAOYSA-N 405.237 4.687 0 40 HJAB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 408820373 XJGRYJIYOWRNGY-YVLHZVERSA-N 403.887 4.902 0 40 HJAB CC(C)C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1nnc2ccccn12 604419047 QAQZXKVAOCYSMP-HNNXBMFYSA-N 407.396 4.537 0 40 HJAB Cn1nc(-c2cccs2)cc1CNC(=O)C1c2ccccc2Oc2ccccc21 1775966510 ISZIEUNWWBRYNW-UHFFFAOYSA-N 401.491 4.703 0 40 HJAB NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2Cl)CC1 1848351731 LODBONUOOCMRPQ-UHFFFAOYSA-N 419.956 4.712 0 40 HJAB CC1(C)C[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cn3)CC[C@@H]2N1c1ccc(F)cc1 2037988513 PTBWKHMDDSCWPT-KUHUBIRLSA-N 421.438 4.759 0 40 HJAB Cc1[nH]c2ccccc2c1[C@H](NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl 1065171 DQHOILISLFJVTD-INIZCTEOSA-N 417.745 4.866 0 40 HJAB COc1ccc(-n2c(N)c(-c3nc4ccccc4[nH]3)c3nc4ccccc4nc32)cc1 1273605 QNPGGGBIYLWLPO-UHFFFAOYSA-N 406.449 4.708 0 40 HJAB CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1C[C@@H](C)C[C@H](C)C1 1341092 HPABXDXENIHBIZ-HOTGVXAUSA-N 408.546 4.767 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)c1 2219527 DAFDCSOHKQMIOT-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB CCCCCCSc1nc2ccc(I)cc2c(=O)n1CC 2232037 LYNJGAXQDUVJSQ-UHFFFAOYSA-N 416.328 4.693 0 40 HJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCc2ccccc2C1 3265090 LCLAWVNGIVXGSW-OUKQBFOZSA-N 406.489 4.532 0 40 HJAB COc1ccc2c(Cl)c(C(=O)OCC(=O)NCc3ccccc3)sc2c1Cl 3332974 BDUQSDGQZVZBBN-UHFFFAOYSA-N 424.305 4.690 0 40 HJAB O=S(=O)(O)CCC[n+]1c2c(c(-c3ccccc3)c3ccccc31)-c1ccccc1C2 3399029 CLSXIRKIIHRRKR-UHFFFAOYSA-O 416.522 4.643 0 40 HJAB COc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2ccccc2OC)cc1 3401955 MKLGKXLLEOYCIM-SFHVURJKSA-N 411.527 4.613 0 40 HJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OP(=O)(N5CC5)N5CC5)CC[C@@]43C)[C@@H]1CCC2=O 4025593 XSVDHLSLBYJBSG-WAUHAFJUSA-N 418.518 4.643 0 40 HJAB biogenic COc1cc2c(cc1NC(=O)c1cc(OC)c(OC)c(OC)c1)oc1ccccc12 4037514 ZTMTUKJNOHELCL-UHFFFAOYSA-N 407.422 4.873 0 40 HJAB Cc1cccc2sc(N(CCCN(C)C)C(=O)COc3ccc(Cl)cc3)nc12 4359701 MLQBEUZAAKBBBK-UHFFFAOYSA-N 417.962 4.622 0 40 HJAB CCOc1cc(-c2nn3c(-c4cccs4)nnc3s2)cc(OCC)c1OCC 4939182 NRGBOFXZFSENKD-UHFFFAOYSA-N 416.528 4.777 0 40 HJAB Cc1ccccc1-c1nnc(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)n1C 5505598 YLAWWZAFYPSMRY-HXUWFJFHSA-N 406.555 4.636 0 40 HJAB Cc1cc(Cl)ccc1OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 6289151 KDZZWRBVMXFIIA-GJZGRUSLSA-N 421.946 4.534 0 40 HJAB O=C(CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1)NC1CC1 6476735 RDTICMONZHVMPS-UHFFFAOYSA-N 420.582 4.898 0 40 HJAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C)cc2Cl)CC1 6569677 ZKAJFJFTGSXBQF-UHFFFAOYSA-N 420.340 4.613 0 40 HJAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 6899935 AHHRDCZTJAJKDI-MRVPVSSYSA-N 401.706 4.809 0 40 HJAB Cc1sc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)nc1-c1ccccc1 7062308 OGYGVYHKKMUYPT-UHFFFAOYSA-N 413.930 4.921 0 40 HJAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O 7882129 CLYDDFTXIJRRON-JSGCOSHPSA-N 410.823 4.907 0 40 HJAB C[C@@H]1Oc2ccc(NC(=O)c3ccc(-c4nc5ccccc5s4)o3)cc2NC1=O 8015111 SFPWTQJCMANTIW-NSHDSACASA-N 405.435 4.528 0 40 HJAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 8071382 RROILWGVVMZVGR-AZUAARDMSA-N 422.550 4.874 0 40 HJAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1 8074300 YYLNMWNXYIMNDL-UHFFFAOYSA-N 409.891 4.863 0 40 HJAB Cc1nc(N2CCN(c3ccccc3O)CC2)c2c(-c3ccccc3)csc2n1 8148731 YEAUJQNUMBMSKB-UHFFFAOYSA-N 402.523 4.699 0 40 HJAB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cnc2sc3c(c2c1=O)CCC3 8192877 XAAIZDBLNVJRAN-UHFFFAOYSA-N 409.555 4.832 0 40 HJAB COc1ccc(CNC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1 8613864 JADAEYAQPRSFRN-UHFFFAOYSA-N 417.893 4.500 0 40 HJAB COc1cc(CSc2nc(CC(=O)Nc3cccc(F)c3)cs2)cc(OC)c1 8853705 ACPRUNOSRAJBST-UHFFFAOYSA-N 418.515 4.773 0 40 HJAB CCNC(=O)c1cccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c1 9253291 BXPSDAJLSWWFBI-UHFFFAOYSA-N 416.506 4.603 0 40 HJAB Cc1ccc(NC(=O)[C@@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 9466010 FDJNJIQCWHCLAA-VWLOTQADSA-N 413.521 4.591 0 40 HJAB Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c3ccccc3n2)o1 9596749 ATRIBQMTAGPZGV-AWEZNQCLSA-N 413.433 4.775 0 40 HJAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCc1cc(=O)n2ccccc2n1 9762698 GBJKSCOMSNBZHQ-UHFFFAOYSA-N 421.456 4.575 0 40 HJAB CCn1c(=O)n(CCC(=O)Nc2ccccc2Oc2ccccc2)c2ccccc21 10413151 XATPIRMZMIEHQD-UHFFFAOYSA-N 401.466 4.644 0 40 HJAB COc1ccc(OC)c(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c1 11923560 IYSUWSZFAGZPCT-UHFFFAOYSA-N 405.479 4.870 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 12764059 CIIDUGZWIJILKV-AWEZNQCLSA-N 400.935 4.837 0 40 HJAB CN(CCC(=O)Nc1ccccc1Cl)CC(=O)Nc1c(Cl)cccc1Cl 12819850 NFBTVHFKXVGQGP-UHFFFAOYSA-N 414.720 4.546 0 40 HJAB Cc1oc(-c2ccccc2)nc1COC(=O)COc1cccc(Br)c1 13018164 VMONHQIWDHWIJT-UHFFFAOYSA-N 402.244 4.535 0 40 HJAB O=C(Nc1nc([C@H]2COc3ccccc3O2)cs1)c1ccc(Br)cc1 13721489 YTJWTIIMUNOQFL-MRXNPFEDSA-N 417.284 4.670 0 40 HJAB Clc1ccc(OCc2nn3c(COc4ccccc4)nnc3s2)c(Cl)c1 13732209 SCTCFYHPGMIUTK-UHFFFAOYSA-N 407.282 4.651 0 40 HJAB Fc1ccc(OCc2cc([C@H]3CCN(Cc4ccc5ncccc5c4)C3)n[nH]2)cc1 19704546 VEEMCFDGLUKKES-IBGZPJMESA-N 402.473 4.666 0 40 HJAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccccc1Cl 20151744 QQTMMGQOVYSULD-UHFFFAOYSA-N 421.305 4.873 0 40 HJAB O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(Cl)cc1 20151934 QUJRETBDJLDXAM-UHFFFAOYSA-N 421.305 4.873 0 40 HJAB Cc1ccc(C)c(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1 20241793 KAGLADHPZDOGKK-UHFFFAOYSA-N 413.565 4.874 0 40 HJAB CCN(CC)Cc1ccc(CNC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)cc1 24140411 ZZBOIEFFXFVVJJ-SEJPIABJSA-N 418.672 4.757 0 40 HJAB COc1ccc(Cn2c([C@H]3CC(=O)N(c4ccc(C)cc4)C3)nc3ccccc32)cc1 27792729 ACKNJYXKYJUDGX-FQEVSTJZSA-N 411.505 4.922 0 40 HJAB Cc1sc2c(c1C)c1nc(-c3ccccc3)nn1c(=O)n2Cc1ccc(F)cc1 32095071 IHJINKCEORGPNG-UHFFFAOYSA-N 404.470 4.577 0 40 HJAB Cc1c(OCc2nnc(SCC(=O)c3ccccc3)n2C)ccc2ccccc12 33758360 PZZSBOPXHXRHJJ-UHFFFAOYSA-N 403.507 4.831 0 40 HJAB S=C(Nc1ccccc1Cl)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 33915752 KEATZXBGXZSMPR-XWDORNJCSA-N 402.007 4.932 0 40 HJAB COc1cc(OC)c([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)cc1OC 36360123 ADIWBQIFZATGMN-ZDUSSCGKSA-N 413.861 4.675 0 40 HJAB Cc1nnc([C@@H]2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)s1 38900105 WRDXTRVTWCFHTI-SNVBAGLBSA-N 423.382 4.904 0 40 HJAB O=C(N1CCCCC1)N1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1 40037421 QUJROPHSPMPORF-UHFFFAOYSA-N 400.526 4.630 0 40 HJAB CCOc1cc(C(=O)N2CCCc3cc(OC)ccc32)ccc1OCc1cccnc1 40069909 XKFXADGQXJVKLD-UHFFFAOYSA-N 418.493 4.661 0 40 HJAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccc(-n2cccn2)c(F)c1 40150947 YKBPKUQEWHXMFT-UHFFFAOYSA-N 412.371 4.516 0 40 HJAB Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(NC(=O)c2ccccc2)n1 40556501 GSFDBNUFXUMDAI-UHFFFAOYSA-N 400.529 4.812 0 40 HJAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)c1 59227344 ANXHQTSAKAGVKI-CYBMUJFWSA-N 410.823 4.967 0 40 HJAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)c1 59227350 DEFYOGMGQFDPDD-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB Cc1ccccc1-n1c(=O)c2sccc2n(Cc2cccc(C(F)(F)F)c2)c1=O 67258086 GIGCFFYDAKNETL-UHFFFAOYSA-N 416.424 4.589 0 40 HJAB Cc1nc(NC2CCCCC2)sc1C(=O)NCc1cccc(Br)c1 71326697 LRAYPOJESJNIJV-UHFFFAOYSA-N 408.365 4.889 0 40 HJAB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2Cl)cc1Cl 72329331 QTNODWYRMKLUOK-UHFFFAOYSA-N 408.260 4.851 0 40 HJAB CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4C)CC3)[nH]n2)cc1 72331257 SXKWHVQPFWAMBK-UHFFFAOYSA-N 418.541 4.526 0 40 HJAB Cc1cc(-c2cnc(C(C)(C)C)nc2C2CCN(Cc3ccc(CN)cc3)CC2)on1 72353527 JQFLDGBCVPATQE-UHFFFAOYSA-N 419.573 4.576 0 40 HJAB Cc1nc(-c2c[nH]c(C(=O)N3CCCCC[C@H]3C[C@H](O)c3ccccc3)c2)cs1 84274917 OGLXIALFLDWJMJ-UGKGYDQZSA-N 409.555 4.955 0 40 HJAB COc1ccc(CN2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)cc1 96038323 IVQABCFYWHWFFT-UHFFFAOYSA-N 413.525 4.861 0 40 HJAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccc(F)cc2)C12CCCC2 96344611 IIRRUWVZQDVWQV-JOCHJYFZSA-N 408.517 4.794 0 40 HJAB Cc1c(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccccn4)o3)CC2)oc2ccccc12 100156006 SINDTQNPLOTMDP-CALCHBBNSA-N 416.481 4.890 0 40 HJAB COc1ccc([C@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(O)=C32)c(OC)c1 102738488 PXVWUDVTKJICNL-JEOXALJRSA-N 424.482 4.777 0 40 HJAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1=O 103344529 NZJSGNCXVPMDHQ-KPFFTGBYSA-N 419.550 4.570 0 40 HJAB COc1cccc(-c2noc3nc(C)cc(C(=O)N[C@H](C)[C@H]4C[C@H]5CC[C@H]4C5)c23)c1 104070538 VHUMOFQGOJFRHK-PASDCYSWSA-N 405.498 4.761 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222596516 BYFVZKUPBDACHZ-XMSQKQJNSA-N 414.977 4.647 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 223163765 ZZFQLDHLRJAXHV-HSZRJFAPSA-N 424.585 4.876 0 40 HJAB COc1ccccc1CNC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 224138585 XJJBAYROZSVZAV-UHFFFAOYSA-N 411.885 4.866 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)c1 224271648 OTXNQDKKKAMDIQ-LJQANCHMSA-N 414.977 4.689 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)c1 224278813 KIRBWFIXNIDZMD-IBGZPJMESA-N 414.977 4.689 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C 224407434 OTXYFHGNFHTLKE-HSZRJFAPSA-N 410.533 4.543 0 40 HJAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc4c(c3)OCO4)o2)cc1 224910762 AKRWKHWRPGZLEA-UHFFFAOYSA-N 414.417 4.998 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 225014273 YWMTWNJZNYFSPX-PMACEKPBSA-N 412.599 4.560 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)c(C)c1 225055142 AWHGONGUANNHRZ-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCSC2CCCCC2)c1 225591140 RYVDNSDJRRQUDL-UHFFFAOYSA-N 400.997 4.869 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 225634778 QOEAEVGNOBVMSE-GCJKJVERSA-N 414.977 4.913 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 225641835 VCSNLTMVMFDAEG-IIBYNOLFSA-N 418.940 4.744 0 40 HJAB CC1=CCC[C@H](C)[C@@H]1CN1CC[C@]2(COCc3cnc(NCc4ccccc4)nc32)C1 247867242 JLXOAABJPNYWPB-VAPDBKPJSA-N 418.585 4.555 0 40 HJAB O=C(N1CCC2(CC1)CO[C@@H](Cc1ccccn1)C2)C1(c2cccc(F)c2)CCCC1 257339831 ZDJXTGFYCLWABY-QHCPKHFHSA-N 422.544 4.673 0 40 HJAB Cc1cccc(-c2ccc(CC3(C(=O)NC(C)C)CCN(C(=O)C(C)C)CC3)cc2)c1 257342982 ZQWFDFRCKOMIRV-UHFFFAOYSA-N 420.597 4.994 0 40 HJAB CCCCCCC1=NN(C(=O)COc2ccc(Cl)c(C)c2)[C@](O)(C(F)(F)F)C1 408957670 VLIXYDRAWORKIN-GOSISDBHSA-N 420.859 4.837 0 40 HJAB CCCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Br)c2ccccc21 409117376 LOMFTHVACGZQBC-GDNBJRDFSA-N 402.288 4.764 0 40 HJAB CCN1C(=O)S[C@H](Cc2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C1=O 409145519 OBYQLEGRTFHFAW-QGZVFWFLSA-N 423.893 4.693 0 40 HJAB CC(C)CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1cccs1)C2 585106830 IYUZQDUEDKVLJI-QHCPKHFHSA-N 406.555 4.541 0 40 HJAB CN([C@@H](c1ccccc1)c1ccccc1Br)S(=O)(=O)c1ccccc1 1561890649 RTVJILBTFBCIAN-FQEVSTJZSA-N 416.340 4.859 0 40 HJAB CS(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc2ccccc12 654300 JNJYZURRCIRZKI-UHFFFAOYSA-N 423.321 4.551 0 40 HJAB CCOc1ccccc1C(=O)Oc1ccc(OC(=O)c2ccccc2OCC)cc1 682436 QFLLWFVDSPTVIH-UHFFFAOYSA-N 406.434 4.922 0 40 HJAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)N1CCCCCC1 885336 NUWWQRNISPETQP-UHFFFAOYSA-N 421.488 4.756 0 40 HJAB O=C(Nc1nc2ccccc2s1)OCCOC(=O)Nc1nc2ccccc2s1 1634156 VSTSQPGDXZPAIA-UHFFFAOYSA-N 414.468 4.703 0 40 HJAB CCc1[nH]c2ccccc2c1N1C(=O)CC2(CCN(Cc3ccccc3)CC2)CC1=O 1705567 QWCAWFATBCSHJM-UHFFFAOYSA-N 415.537 4.666 0 40 HJAB CCOc1cc(-c2nc(-c3ccc(OC)c(OC)c3)no2)cc(OCC)c1OCC 2179132 JOANWOQEYSDSRW-UHFFFAOYSA-N 414.458 4.617 0 40 HJAB CCCCc1nc2sc3c(NCCCO)nc(SC)nc3c2c2c1CCC2 2429440 OHTLORLKADJTKA-UHFFFAOYSA-N 402.589 4.587 0 40 HJAB Fc1cccc(Cl)c1[C@H]1C[C@@H](c2cccc(Br)c2)Nc2ncnn21 2918467 IPVFGCSRHWTELF-LSDHHAIUSA-N 407.674 4.979 0 40 HJAB O=C(c1ccccc1)c1cc2cc(Br)cc(Br)c2oc1=O 2952810 QOPGPMGLJSKZQZ-UHFFFAOYSA-N 408.045 4.549 0 40 HJAB C[C@@H](NC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccccc1 3411778 LFHDFJYIGLLENY-CQSZACIVSA-N 421.547 4.621 0 40 HJAB CC1=C2C[C@@H]3[C@@H](CN4CCC(O)(Cc5ccccc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 4084410 ZUPBERLHBNGRIA-HLMLHLEXSA-N 423.597 4.514 0 40 HJAB biogenic CC(=O)N1c2ccccc2C([C@@H](O)CN2CCC[C@H]3CCCC[C@@H]32)c2ccccc21 4416116 HWZXWPXTTVBZTK-WPWBMXPQSA-N 404.554 4.832 0 40 HJAB Cc1nc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2C(C)C)sc1C 4736143 SWKREIXJJIWDCG-CYBMUJFWSA-N 419.551 4.858 0 40 HJAB CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1ccc(OC)c(OC)c1 4849407 HCAVYYNEKMPWRJ-UHFFFAOYSA-N 412.511 4.554 0 40 HJAB CCCN1C(=O)c2[nH]nc(-c3ccc(OCC)cc3)c2[C@@H]1c1ccc(O)c(OCC)c1 4909905 DOBLEDCSTCCFDG-QHCPKHFHSA-N 421.497 4.535 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 4976917 GSOCCBNGESRXND-UHFFFAOYSA-N 400.935 4.581 0 40 HJAB CCOc1cc(Br)c(CSc2nnc3ccccn23)cc1OCC 5315793 YCBFVSZFWLLJIS-UHFFFAOYSA-N 408.321 4.582 0 40 HJAB CSc1nc(NC[C@@H](C)O)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 5477701 WMVSOJYSSSHUIQ-SNVBAGLBSA-N 412.540 4.503 0 40 HJAB COc1ccc([C@@H]2NC(=S)C3=C(CC(C)(C)OC3)N2CCc2ccccc2)cc1 5500124 XYTWHVDVEQXCGR-JOCHJYFZSA-N 408.567 4.622 0 40 HJAB C[C@@H]1CCc2c(sc3nc(-c4ccc(-c5ccc(C(=O)O)cc5)o4)[nH]c(=O)c23)C1 5881024 NVSONUVLNXVNFR-LLVKDONJSA-N 406.463 4.735 0 40 HJAB COc1ccc(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)c(C(C)(C)C)c1 6306037 IFXDKELIMFGTJX-JOCHJYFZSA-N 411.586 4.687 0 40 HJAB COc1cc(CC(=O)N(CC(C)C)c2nc3ccccc3s2)cc(OC)c1OC 6342968 YBBBIQCANIMOIP-UHFFFAOYSA-N 414.527 4.554 0 40 HJAB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4C)cc3)CC2)cc1 6613601 MWYLRCCGERIGNG-UHFFFAOYSA-N 413.521 4.518 0 40 HJAB Cc1cc(C)cc(N2C(=O)CS[C@@]23C(=O)N(Cc2ccccc2)c2ccccc23)c1 6997023 WFQIPEZWGVYKFF-VWLOTQADSA-N 414.530 4.783 0 40 HJAB C[C@@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 7684673 JYMWFRDRGNBUEL-YLJYHZDGSA-N 420.509 4.608 0 40 HJAB COc1cc(C(=S)N2CCC(Cc3ccccc3)CC2)cc(Br)c1O 8108849 RMKIXCUXLDIWMD-UHFFFAOYSA-N 420.372 4.794 0 40 HJAB Cc1cccc(NC(=O)COC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)c1 8414828 IJPIITLPXOBABV-UHFFFAOYSA-N 416.477 4.622 0 40 HJAB Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(F)cc1)N1C(=N2)C(O)=Nc2ccccc21 8664960 OCPZEXJEQMGQOI-NRFANRHFSA-N 424.439 4.956 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1F)c1ccccc1Cl 8810335 MLZZBRQQBJVFCJ-UHFFFAOYSA-N 424.925 4.733 0 40 HJAB O=C1CSc2ccc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)cc2N1 9219849 GAWGEKPJVRMQPN-UHFFFAOYSA-N 400.463 4.526 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(C(F)(F)F)n2C)c2ccccc2)c1 9390450 SXKBHICWEONHIK-INIZCTEOSA-N 420.460 4.923 0 40 HJAB COc1cccc(-n2c(N)c(-c3nc4ccccc4n3C)c3nc4ccccc4nc32)c1 9541032 JUNNGYHZHJJMPY-UHFFFAOYSA-N 420.476 4.718 0 40 HJAB COc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OC(C)C 12628636 LFMDTSMCCRSYED-SFHVURJKSA-N 413.905 4.989 0 40 HJAB Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccccc4C)c(=O)c23)cc1 12802832 FQCAXYLXEGGYNZ-UHFFFAOYSA-N 403.507 4.771 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCc1noc(-c2ccc(Cl)cc2)n1 12852571 NGQDYTYYMXOETQ-UHFFFAOYSA-N 411.918 4.885 0 40 HJAB CCN(CC)C(=O)c1ccc(NC(=O)COc2cccc(Oc3ccccc3)c2)cc1 12907079 DZDHAIVYEBRQPV-UHFFFAOYSA-N 418.493 4.978 0 40 HJAB Cc1cc2oc(C(=O)N(Cc3ccccc3)c3ccccn3)cc(=O)c2cc1Cl 13135635 IQDHUWNGWBDOAP-UHFFFAOYSA-N 404.853 4.997 0 40 HJAB Cc1cc(C)c2nc(Nc3nc(C)c(Cc4ccccc4Cl)c(=O)[nH]3)nc(C)c2c1 13633898 QRZXAGLWVDOMHI-UHFFFAOYSA-N 419.916 4.935 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2cccc(C)c2)sc2c1CCCC2 14022526 VBKPQZLMBQQBGQ-QGZVFWFLSA-N 401.528 4.908 0 40 HJAB CCOc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@H]2c2ccccc2)cc1 15413384 PVWPWIPDSGJIQO-XMMPIXPASA-N 400.478 4.515 0 40 HJAB COc1cc(C=O)cc(I)c1OCc1ccc2ccccc2c1 16195662 BNNRMRYEGVEOBY-UHFFFAOYSA-N 418.230 4.845 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c(C)c1 17026008 GRSUPFNCNOSOTJ-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB CCOCCCNc1nc(Nc2ccc(C)cc2)c2cnn(-c3ccccc3)c2n1 17306901 UHJRTRCWLXFLSZ-UHFFFAOYSA-N 402.502 4.706 0 40 HJAB CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cccc(-c3cccc(F)c3)c2)CC1 19020580 OFTAUEYQPWSECK-AREMUKBSSA-N 417.528 4.977 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)s1 19564140 NTZJABXCYKHYPQ-LLVKDONJSA-N 407.442 4.559 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1Cl 20142438 XZLKAFHIBRWTSD-UHFFFAOYSA-N 401.846 4.752 0 40 HJAB CCCCCCn1c(=N)n(C[C@@H](O)COc2ccc(Cl)cc2)c2ccccc21 20327631 AJBOCJASLDCFMT-GOSISDBHSA-N 401.938 4.596 0 40 HJAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccccc1Br 20763688 KPANBEBVSSTLOO-UHFFFAOYSA-N 423.723 4.618 0 40 HJAB COc1ccc(-c2nnc([C@H](C)Sc3nc(C)c(C)n3C[C@H]3CCCO3)o2)cc1 22131511 MIDKKYKMUJEHHT-MAUKXSAKSA-N 414.531 4.591 0 40 HJAB CCc1ccc([C@@H](CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)N(C)C)cc1 22684094 WEFYMIQRKWQWIN-OAQYLSRUSA-N 411.546 4.629 0 40 HJAB O=C(c1ccccc1Oc1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1 24141968 BKSAANSPHBGTPY-UHFFFAOYSA-N 406.526 4.734 0 40 HJAB COc1cc(C(=O)N(C)Cc2ccc(C)cc2)cc(OC)c1OCc1ccccc1 24352677 SLMKSODTUBHLGP-UHFFFAOYSA-N 405.494 4.863 0 40 HJAB Cc1ccc(Oc2ccccc2NC(=O)C[C@@H](NC(N)=O)c2ccccc2F)cc1 29978907 WXNQCXUPIVSONB-HXUWFJFHSA-N 407.445 4.665 0 40 HJAB COc1ccccc1[C@H](CNCc1ccccc1OCc1cccnc1)N1CCCC1 30544315 QGUZRIYONNYLEW-DEOSSOPVSA-N 417.553 4.596 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 30939003 RPNOUINJHCWNDK-INIZCTEOSA-N 421.324 4.631 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 33593961 VTENGMZUABVEGO-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB CCc1ccc(N2C(=O)/C(=C/c3cccc(C(F)(F)F)c3)C(O)=NC2=S)cc1 33630972 BLZNLMNQFYKHRU-LFIBNONCSA-N 404.413 4.939 0 40 HJAB O=C(NCc1ccco1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36357753 JTHQYCFUQUOGLM-JOCHJYFZSA-N 400.478 4.653 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 36874546 KXZNPMASYURBTA-VBKZILBWSA-N 402.416 4.847 0 40 HJAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44937208 XSQROISHEKNCPW-ZJSXRUAMSA-N 412.549 4.950 0 40 HJAB Cc1cc(F)ccc1NC(=O)CSc1cc(NCc2ccccc2Cl)ncn1 49006713 BDKCGNCYXDSXKD-UHFFFAOYSA-N 416.909 4.920 0 40 HJAB COc1ccccc1C1(CNC(=O)c2cnn(C(C)C)c2C(F)(F)F)CCCC1 60337264 YJBBDARKQQSVKF-UHFFFAOYSA-N 409.452 4.733 0 40 HJAB CC(C)(C)c1nnc(CN2CCC([C@H]3CCCCCN3C(=O)c3ccccc3)CC2)o1 69952137 YUOADNHURWYLJJ-OAQYLSRUSA-N 424.589 4.664 0 40 HJAB Cn1cc(CN2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)cn1 72349967 HJYMUBYBIWVZGP-GOSISDBHSA-N 400.448 4.881 0 40 HJAB CN(Cc1nc(-c2cccs2)no1)C(=O)CCCSc1ccc(Cl)cc1 95482466 IDJAYMQNLKTBGD-UHFFFAOYSA-N 407.948 4.982 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(F)c(Cl)c2)S1 96118459 NEYDNDXKHZZWSU-LRDDRELGSA-N 409.914 4.985 0 40 HJAB CC(C)(C)c1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)n[nH]3)CC2)cc1 98212873 RSOALAMLGMALMW-UHFFFAOYSA-N 408.571 4.835 0 40 HJAB O=C(CC1CCCCC1)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 100158926 PCOYNSCMSBTGGP-IYBDPMFKSA-N 423.483 4.504 0 40 HJAB C[C@H]1CCCN([C@H](c2ccccc2F)c2sc3nc(-c4ccco4)nn3c2O)C1 102894309 XNDPENLGZFYLEA-SUMWQHHRSA-N 412.490 4.717 0 40 HJAB Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3ccc(C(F)(F)F)cn3)c(N)c12 215708069 LEFXNRCGKUMRLB-UHFFFAOYSA-N 420.338 4.872 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1C 216030739 MBSVUDFRQDQQBU-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB Cc1ccccc1CN(C(=O)CSCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C 222676806 BWPRTGGMHRPDNL-LJQANCHMSA-N 412.599 4.560 0 40 HJAB CCOc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(OC)cc2)cc1 222954939 IFNWZMFXLQJXJT-QNGOZBTKSA-N 422.506 4.565 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 223082010 WHUHIFNSBFOXSN-JOCHJYFZSA-N 424.585 4.633 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C(C)C 223853675 RKIZXKUCWCYWQK-FGZHOGPDSA-N 406.555 4.964 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@H](C)c3ccccc3)ccc2C)cc1 223944255 FQIKKHKGLBOMQY-IBGZPJMESA-N 422.550 4.638 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 224580083 TUCMBZPBZUMYRZ-XMMPIXPASA-N 424.585 4.734 0 40 HJAB CCCC[C@H](CC)CNC(=O)CCCN(c1ccc2ccccc2c1)S(C)(=O)=O 224686753 JSACHCUSISDVBC-IBGZPJMESA-N 418.603 4.719 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1C 225378911 UKLPPUHXVNKPHY-VWLOTQADSA-N 420.597 4.836 0 40 HJAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C)c1ccc(C)cc1C 225717622 CMGPMBVUJAUIDL-GOSISDBHSA-N 418.584 4.690 0 40 HJAB COc1ccc(-c2cccc([C@H]3CN(Cc4ccnc5ccccc45)CCO3)n2)cc1 257300550 RUSHOKXZCAOYBD-AREMUKBSSA-N 411.505 4.879 0 40 HJAB Cc1cnc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4ccc(C(C)C)cc4)CC3)o2)cn1 257333959 YDWMQJUEFOUPHD-IRJFHVNHSA-N 419.529 4.662 0 40 HJAB COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)c2)c1 257343861 ZURUCWHSQXZXLX-GOSISDBHSA-N 402.498 4.557 0 40 HJAB CC(C)n1cc(CN2CCC[C@@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)cn1 306130630 JLNMDLPSEZSXKX-OAQYLSRUSA-N 418.520 4.692 0 40 HJAB COc1ccc(OC)c(NC(=O)C[C@]2(C)NN=C(c3cccc4ccccc34)S2)c1 670419876 XIHJVRGSUQWYHG-HSZRJFAPSA-N 421.522 4.600 0 40 HJAB CCC(=O)OC[C@]12CO[C@@H](c3ccccc3OC(=O)CC)[C@H](C(C)=C[C@@H]1C)[C@@H]2C 856754 SILOCWNFXQCZOK-LDEQJEGGSA-N 400.515 4.861 0 40 HJAB CCOc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccc(C)cc2)S3)cc1OCC 952718 DNFPKRQLIKIQKR-IBGZPJMESA-N 409.511 4.928 0 40 HJAB O=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(-c2ccccc2)cc1 1045418 WOSRFLYPNXNMRY-JOCHJYFZSA-N 422.278 4.529 0 40 HJAB Cc1cc(OCC(=O)OCc2ccccc2)c2c(-c3ccccc3)cc(=O)oc2c1 1108016 NTNYHOJHHHRGPX-UHFFFAOYSA-N 400.430 4.891 0 40 HJAB COc1cccc(Cn2cccc(NC(=O)Nc3ccccc3C(F)(F)F)c2=O)c1 1354190 QBDZQCADGSZXJE-UHFFFAOYSA-N 417.387 4.568 0 40 HJAB COc1ccc(OC2=C(c3ccc(OC)cc3)S(=O)c3cc(OC)ccc32)cc1 1403459 IVCCCBWXZQOBLY-UHFFFAOYSA-N 408.475 4.738 0 40 HJAB CCOC(=O)[C@H](C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1cc(C)cc(C)c1 2720716 ZGLUWYIPXMCSND-HNNXBMFYSA-N 421.522 4.528 0 40 HJAB COc1cccc(S(=O)(=O)Nc2c(C)c(C)cc3c2ncn3Cc2ccccc2)c1 3997432 XBDNPPACSSLYQZ-UHFFFAOYSA-N 421.522 4.511 0 40 HJAB COCCCn1c(SCc2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCC3 4169101 BXUZUZVVEZINIZ-UHFFFAOYSA-N 420.987 4.929 0 40 HJAB COc1ccc(CNCC[C@]2(c3ccc(F)cc3)CCOC(C)(C)C2)cc1OC 4770078 FHBLOJNNNGOMKZ-DEOSSOPVSA-N 401.522 4.850 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnnn2-c2ccccc2)c2ccccc2)c1 5035176 QSWZIPJSMNZGLP-NRFANRHFSA-N 415.522 4.751 0 40 HJAB C[C@H](NC(=O)c1ccccc1I)C12CC3CC(CC(C3)C1)C2 5443987 CMRONBPCJAEZIO-UHSVVUDUSA-N 409.311 4.626 0 40 HJAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c(Br)c1 5895212 UOKOAKWTQIHSSH-WEVVVXLNSA-N 409.736 4.937 0 40 HJAB COC(=O)c1ccc(COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1 5910230 DWHMSCZNTMLIDR-UHFFFAOYSA-N 402.402 4.531 0 40 HJAB biogenic O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(Cl)cc1Cl 6423051 HOHWKEQIZDEXBC-UHFFFAOYSA-N 408.310 4.692 0 40 HJAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 6881931 RGFWZUBRSZMCSL-NSHDSACASA-N 414.720 4.544 0 40 HJAB N=c1sccn1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 6890252 CTYGUUKYAJRQNQ-JOCHJYFZSA-N 412.518 4.560 0 40 HJAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 8122307 QVGMBMPWNSAWJQ-INIZCTEOSA-N 413.827 4.533 0 40 HJAB CC(C)c1ccc([C@@H](NC(=O)c2nn(C)c(=O)c3ccccc23)c2cccs2)cc1 8313117 LHFIZFZYKBCJPP-OAQYLSRUSA-N 417.534 4.638 0 40 HJAB Cc1cc(C)c(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(Cc2ccco2)C3=O)c(O)c1 8606634 GCROJPVZWVPCKA-HSZRJFAPSA-N 417.440 4.877 0 40 HJAB aggregator O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc21 8961221 FQABFWBLICZOAE-UHFFFAOYSA-N 416.458 4.999 0 40 HJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 9517103 ZYRAPRFMQQUGFC-KRWDZBQOSA-N 421.497 4.611 0 40 HJAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(C)c2C)ccc1C 9662885 LYSCJKBTNGZEKM-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB O=C(CNc1ccc(Br)cc1F)N[C@H](c1ccccc1)c1cccs1 10947216 BELATBQBFFQTFQ-LJQANCHMSA-N 419.319 4.967 0 40 HJAB COc1ccc(Br)c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 11917639 RGHYRCZFSAMRBB-UHFFFAOYSA-N 404.260 4.752 0 40 HJAB CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)c4ccco4)n3)ccc21 12220045 RAFWJOWPRNXIKU-UHFFFAOYSA-N 409.511 4.615 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 12541212 VFBGBPQESIHMFG-SGTLLEGYSA-N 422.287 4.539 0 40 HJAB O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN(c2ccccc2F)CC1 12607884 YPRNEHMIBAXNNX-UHFFFAOYSA-N 401.894 4.565 0 40 HJAB COc1ccccc1CN(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 12762129 GQLYJMCZGNGYKZ-UHFFFAOYSA-N 414.509 4.960 0 40 HJAB O=C(Nc1ccnn1Cc1ccccc1Br)c1ccc(Cl)cc1F 12853681 SJGCMEXAXWBKMZ-UHFFFAOYSA-N 408.658 4.739 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cccc3C(C)C)C2)s1 12892041 ZMAXAUVMUBQOSZ-KRWDZBQOSA-N 420.600 4.528 0 40 HJAB COc1cc2c(cc1NC(=O)[C@@H]1CCCN(C(=O)c3ccoc3)C1)oc1ccccc12 13006432 TUBFGAAXCFSMLW-OAHLLOKOSA-N 418.449 4.679 0 40 HJAB Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3)cc(C(=O)O)c2c1 16193166 RGULEELSAFQNCT-ROUUACIJSA-N 414.461 4.588 0 40 HJAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cccc(F)c2)CC1 19236867 SLDJRGVDKUEZCK-RUZDIDTESA-N 417.528 4.912 0 40 HJAB COc1cccc(CN2C[C@@H](c3cc(C(F)F)[nH]n3)[C@H](c3ccccc3)C2)c1OC 19568088 CTGZXXDWIYVJST-ZWKOTPCHSA-N 413.468 4.748 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@H](c3ccc(Cc4ccccc4)cn3)C2)c1 19688163 DFIZLEQBRZMBNX-QHCPKHFHSA-N 400.522 4.630 0 40 HJAB O=c1c2cnc(N3CCc4ccccc4C3)nc2ccn1-c1cc(Cl)cc(Cl)c1 19959029 MBDJWPISQHDMFX-UHFFFAOYSA-N 423.303 4.650 0 40 HJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)c(Cl)c1 20490900 IKESYZAFODUOGO-LBPRGKRZSA-N 423.918 4.653 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3n2)cc1 20610069 MTTGHJGFAPDHFY-UHFFFAOYSA-N 416.481 4.716 0 40 HJAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(OCc2cn3ccccc3n2)c1 23387889 UPUCPYPCUGMNMY-IRXDYDNUSA-N 417.431 4.764 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)Cc1nc(-c2ccc(Cl)cc2)no1 29188187 URZOOKHABGBNQE-UHFFFAOYSA-N 407.905 4.825 0 40 HJAB COc1cc(CNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)ccc1OC(C)C 30860105 RCGANABLQYDSPQ-LJQANCHMSA-N 410.558 4.644 0 40 HJAB COc1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1OC 30867050 RZEHDIJIYUDKSZ-UHFFFAOYSA-N 402.494 4.909 0 40 HJAB CN(C)[C@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(Cl)cc1 32622402 HPFLQKGTVZVWQX-GOSISDBHSA-N 404.297 4.681 0 40 HJAB CCN1CCN(c2ccc(N[C@H](C)C(=O)Nc3cc(Cl)ccc3C)c(C)c2)CC1 32772076 MRMCRDLQPAYACH-GOSISDBHSA-N 414.981 4.538 0 40 HJAB COCCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nc(C)c1C 32893879 SONQXEPYNIORSV-UHFFFAOYSA-N 411.527 4.669 0 40 HJAB COc1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c(OC)c1 38834645 LENLNXUDFYPOGJ-AWEZNQCLSA-N 423.340 4.861 0 40 HJAB COc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OCN(Cc2cccnc2)C4)cc1 54313253 NRJMCETVAATYEQ-UHFFFAOYSA-N 414.461 4.524 0 40 HJAB biogenic Cc1ccc2c(C3=CCN(C(=O)c4ccc(S(=O)(=O)C(C)C)cc4)CC3)c[nH]c2c1 58179173 DFNHYQVQDFKKNG-UHFFFAOYSA-N 422.550 4.588 0 40 HJAB C[C@@H](NC(=O)c1ccnc(Oc2ccccc2)c1)c1ccc(NC(=O)C2CC2)cc1 58179496 NBBNGIIZIMBHLY-MRXNPFEDSA-N 401.466 4.713 0 40 HJAB CCc1ccc([C@H](NC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)C(C)C)cc1 58341189 KWKRGQHVONPTAD-MJGOQNOKSA-N 414.493 4.667 0 40 HJAB O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2nsnc2c1 59294035 ZPCRMWJTVNSUQK-UHFFFAOYSA-N 408.870 4.849 0 40 HJAB CCOc1ccc(N[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1CO 62581347 CEBRRYRPPLQCDC-XMMPIXPASA-N 420.509 4.687 0 40 HJAB COc1ccc(Cc2cccc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)n2)cc1 72349609 UUPBGUITMIQGIA-UHFFFAOYSA-N 418.512 4.769 0 40 HJAB Cc1nnc(N2CC[C@@H](c3c(C(=O)N(C)C)sc4ccccc34)C2)c2ccccc12 72352345 RMEDOIMZGLQXOR-MRXNPFEDSA-N 416.550 4.849 0 40 HJAB O=C(CCOc1ccccc1)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 72358273 FLPTUQOPEVXXMW-DEOSSOPVSA-N 404.485 4.944 0 40 HJAB CN1CCCc2cc(C(=O)N3CCC[C@@H]3c3cccc(Nc4nccs4)n3)ccc21 72375903 DBPAROGLESZZDM-HXUWFJFHSA-N 419.554 4.641 0 40 HJAB CCOc1cc(C(=O)N2CCC(c3cccs3)CC2)cc(OCC)c1OCC 77099780 PGVDBMQFLLDERK-UHFFFAOYSA-N 403.544 4.964 0 40 HJAB C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(O)/C=C/c1ccccc1)c1ccccc1 95951566 WCUFFTSGLBHWQV-IBCPYWIZSA-N 422.569 4.791 0 40 HJAB CCc1cc(S(=O)(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)ccc1OC 222995792 WGLPHLUYWXCNPF-LJQANCHMSA-N 403.544 4.619 0 40 HJAB CCN(c1ccc2sc(C(=O)NC(C)(C)C)cc2c1)S(=O)(=O)c1ccccc1 223393301 QUXKQCJURKPQBS-UHFFFAOYSA-N 416.568 4.645 0 40 HJAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C)c2)cc1 224100831 LQSCDFRUTBFXJO-UHFFFAOYSA-N 405.450 4.622 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)Cc3cccc(C)c3)ccc2C)cc1 224101024 APFQCKKKTORTSO-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1N1CCCC1=O 224628266 LNLVIUVHISUMBT-UHFFFAOYSA-N 406.910 4.786 0 40 HJAB CCOc1ccc(-c2noc(CN(C)C(=O)COc3cc(C)ccc3C(C)C)n2)cc1 225751470 QPHRSIIPPDSTAW-UHFFFAOYSA-N 423.513 4.605 0 40 HJAB Cc1cc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc(Br)c1O 226243611 FKLCYVVDCHYQMK-UHFFFAOYSA-N 407.333 4.713 0 40 HJAB COc1ccccc1C(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257324232 WNTQKUIPSZATBM-KRWDZBQOSA-N 410.901 4.947 0 40 HJAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCCCCC2)cc1 409208717 CQTPAIPLZJUVIR-UHFFFAOYSA-N 420.582 4.661 0 40 HJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(I)c[nH]1 524526342 ATZHWEJZERUXGT-QMMMGPOBSA-N 423.081 4.759 0 40 HJAB CC(C)Sc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1 585146965 XQWZRBNNRJJMHQ-QGZVFWFLSA-N 423.504 4.539 0 40 HJAB CN1CCOc2ccccc2CCCCC2(CCN(CC3CCCCC3)CC2)C1=O 643588777 JAEYLMSRWQDCNS-UHFFFAOYSA-N 412.618 4.913 0 40 HJAB C[Si](C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 1188907354 IWKLSBVWCYKDRR-UHFFFAOYSA-N 420.614 4.819 0 40 HJAB CCc1cc2c(N[C@@H](CC)[C@H]3CN(Cc4ccccc4)CCO3)nc(C)nc2s1 1642390044 AABULIVWOUSRKP-LEWJYISDSA-N 410.587 4.654 0 40 HJAB Cc1cccc(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 821399 AKXLJRRQKPNTDD-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB COc1cc2cc(C)c(SCC(=O)N3CCCc4ccccc43)nc2cc1OC 928276 BOUASEDTOPGEHR-UHFFFAOYSA-N 408.523 4.632 0 40 HJAB CN(C1=C(Sc2ccccc2)C(=O)N(CCc2ccccc2)C1=O)c1ccccc1 958656 MNOQAEWLDGBDEC-UHFFFAOYSA-N 414.530 4.738 0 40 HJAB CCc1ccc(C(=O)COC(=O)c2ccc(COc3ccccc3OC)cc2)cc1 992733 RQFCVDDVSXWQCE-UHFFFAOYSA-N 404.462 4.876 0 40 HJAB COc1ccc(-n2c(C)nnc2S[C@H](C)C(=O)Nc2cccc3ccccc23)cc1 1223564 JAUAXMUUBBIIHS-OAHLLOKOSA-N 418.522 4.857 0 40 HJAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=O)NCc3ccccc3)C3CCCC3)cc12 1371610 VSYJJMNRAUWYRN-UHFFFAOYSA-N 403.526 4.799 0 40 HJAB CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(C)cc1 2061256 VCXPZIMYEFTKLQ-UHFFFAOYSA-N 413.495 4.774 0 40 HJAB COc1ccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(C(C)C)cc2)CC3=O)cc1 2102063 RSHWJQRJWQYJTC-LJQANCHMSA-N 415.493 4.774 0 40 HJAB biogenic Cc1ccccc1-c1nnc(SCCOc2ccc(Br)cc2)n1C 2625855 IXLAWVHVAWAGOG-UHFFFAOYSA-N 404.333 4.724 0 40 HJAB O=C(N[C@H](CC(=O)N1CCc2ccccc21)c1ccccc1)c1ccccc1Cl 2652103 LFMWBZPXQUWUQT-OAQYLSRUSA-N 404.897 4.791 0 40 HJAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 3602557 ARSFMHNLJMONSV-ZDUSSCGKSA-N 411.483 4.710 0 40 HJAB COc1ccc(Cl)cc1C(=O)CSc1nnc2c(n1)[C@@]1(C)CC[C@@H]2C1(C)C 4169401 YOBUQUGJWCTUQX-RNODOKPDSA-N 403.935 4.684 0 40 HJAB O=C(NCCSc1ncc(-c2ccc(F)cc2)[nH]1)c1cccc(C(F)(F)F)c1 4315708 QSLIPAPCEHZNGB-UHFFFAOYSA-N 409.408 4.757 0 40 HJAB Clc1ccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1 4691380 AIOMZLPQGXWIAR-UHFFFAOYSA-N 405.708 4.719 0 40 HJAB C[C@H](C(=O)N1CCCCCC1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 4747658 DGEQBRZNDBKFGR-HOYKHHGWSA-N 415.537 4.515 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 5020708 ALLDKEYQIQYRDA-GWFRJOEUSA-N 401.503 4.761 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 5136164 BUZIDLGZMIFHGY-UHFFFAOYSA-N 410.857 4.787 0 40 HJAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)c4cc5ccccc5o4)c(=O)c23)C1 5183064 NHTMJPIVPMVGNN-CQSZACIVSA-N 421.522 4.633 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl 5244471 LQCHXUPAHRQSFS-UHFFFAOYSA-N 405.237 4.752 0 40 HJAB O=C(N[C@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1cccs1 5331599 WGTYBXQEJQFHGU-SFHVURJKSA-N 404.413 4.818 0 40 HJAB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 5700488 YXMVUAVIBFAQGY-UHFFFAOYSA-N 423.431 4.954 0 40 HJAB COc1ccc(OC[C@@H](O)CNCC23CC4CC(CC(C4)C2)C3)c(C(C)(C)C)c1 5831672 QNBCAHUFGMCPGX-GHAUVCPBSA-N 401.591 4.538 0 40 HJAB C[C@@H](Sc1nnc(C2CC2)n1C)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 6106334 GMAPUDMFBBXXIL-SECBINFHSA-N 415.569 4.572 0 40 HJAB CCOC(=O)c1c(C)oc2nc(CSc3c(Cl)cccc3Cl)nc(N)c12 7360516 JXITTWSRNIYGOY-UHFFFAOYSA-N 412.298 4.889 0 40 HJAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc12 7735315 KBFBRGSIBXTTDZ-UHFFFAOYSA-N 424.570 4.941 0 40 HJAB COc1ccc(CCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1OC 7779762 AFGQSMKGUGQCEL-UHFFFAOYSA-N 404.438 4.677 0 40 HJAB O=C(N[C@H]1CCSc2ccccc21)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 8312031 KYYRAXBQTLPSKD-APWZRJJASA-N 414.958 4.546 0 40 HJAB Nn1c(-c2ccccc2)nc2c(sc3nc(-c4ccccc4)c4c(c32)CCCC4)c1=O 8817727 FZGCUJPUNQDOMV-UHFFFAOYSA-N 424.529 4.933 0 40 HJAB Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(F)cc3)cs2)cc1 8852880 DXGMKJKXQDOONC-UHFFFAOYSA-N 415.515 4.503 0 40 HJAB O=C(C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccc(Cl)s1 8927793 JDSIJCUWOXPIQG-OAQYLSRUSA-N 415.873 4.548 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1S(=O)(=O)N1CCCC1 9227557 SAEBEHUOKPTZJW-UHFFFAOYSA-N 420.534 4.699 0 40 HJAB Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](c3ccccc3)c3cccs3)n2)cc1 9665345 SZPIFKOLICRFFB-FQEVSTJZSA-N 420.563 4.840 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)[C@]2(C)CC2(Cl)Cl)c2ccccc2)c1 10863555 MFXZSSYDDKMMEH-PXNSSMCTSA-N 420.292 4.696 0 40 HJAB COc1cc(Cl)c(NC(=O)C2=Cc3cc(Br)ccc3OC2)cc1OC 11282966 NPVZGSVHGCJTSZ-UHFFFAOYSA-N 424.678 4.534 0 40 HJAB Clc1ccc2c(c1)N[C@]1(COC3(CCN(Cc4ccoc4)CC3)C1)c1cccn1-2 12120916 NFSQVRFJJDQHSA-HSZRJFAPSA-N 409.917 4.800 0 40 HJAB COc1ccc(C(=O)c2sc3nc(-c4ccc(OC)c(OC)c4)ccc3c2N)cc1 12250944 LITQTRCXLDDFEX-UHFFFAOYSA-N 420.490 4.802 0 40 HJAB O=C(CNc1ccccc1N1CCCC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12517345 RPYQJARGYDDKMQ-UHFFFAOYSA-N 411.811 4.536 0 40 HJAB O=C([C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCN(Cc2ccccc2)CC1 12807170 FYKZCIILUHSYDV-SFTDATJTSA-N 417.578 4.691 0 40 HJAB COc1ccc(CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 14125756 OOTDCFCLDJRDLH-UHFFFAOYSA-N 400.887 4.592 0 40 HJAB CCN(CC)C(=O)C(=O)c1cn(CCOc2ccc(Cl)c(C)c2)c2ccccc12 14136064 ZPSWMCDIOIECSY-UHFFFAOYSA-N 412.917 4.733 0 40 HJAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCN(c2cccc(Cl)c2)CC1 14300772 HTSBUZUPBYEPNC-UHFFFAOYSA-N 402.281 4.611 0 40 HJAB CN(C)C(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 16013558 KSBMABFVMQLWAI-UHFFFAOYSA-N 416.506 4.555 0 40 HJAB COc1ccc(CCNCc2ccc(OCc3cccc(C)c3)c(OC)c2)cc1OC 16349333 URGQGBFHFHSXOW-UHFFFAOYSA-N 421.537 4.932 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 20457498 ADIBDXYWNLYCOJ-LJQANCHMSA-N 422.550 4.620 0 40 HJAB CC[C@@H](C)Oc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20462779 NGKDNUMMVJLDBH-CYBMUJFWSA-N 412.559 4.868 0 40 HJAB CCOc1ccc(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 22913875 QAYGPQYPCRDNAN-UHFFFAOYSA-N 400.522 4.574 0 40 HJAB COc1cccc(OCc2ccc(C(=O)Nc3cc(OC)c(Cl)cc3OC)o2)c1 28226163 CQBABZSBSWFSDZ-UHFFFAOYSA-N 417.845 4.790 0 40 HJAB Cc1nn(Cc2cccc(C(=O)Nc3cnn(Cc4ccccc4)c3)c2)c(C)c1Cl 28230282 LBYMUACTYTUGJZ-UHFFFAOYSA-N 419.916 4.699 0 40 HJAB CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCCC2)cc1 28289560 GFEYOBUACUSJDH-NRFANRHFSA-N 418.537 4.657 0 40 HJAB O=C(Nc1ccccc1)c1nc(SCc2ccccc2F)ncc1Br 28293337 VFZHVDIWPRNCNE-UHFFFAOYSA-N 418.291 4.923 0 40 HJAB COc1ccc(CSc2nnc(Nc3cc(Cl)cc(Cl)c3)c(=O)n2C)cc1 28538839 FHHKHPTUWBVDNF-UHFFFAOYSA-N 423.325 4.527 0 40 HJAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1cc(Cl)cc(Cl)c1 29071633 ULCOUUWKMNRJTA-UHFFFAOYSA-N 419.230 4.558 0 40 HJAB COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)CS2)cc1 32598092 IGJQDYJJRLWQSH-OAQYLSRUSA-N 401.491 4.629 0 40 HJAB C[C@H]1Oc2ccc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)cc2NC1=O 32772809 VDQFGILVSTUUDQ-QVKFZJNVSA-N 404.491 4.878 0 40 HJAB CCCc1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ncnn23)cc1 36619316 DYLAYFOTNNTACU-OAHLLOKOSA-N 419.916 4.888 0 40 HJAB CC(C)n1nccc1-c1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)o1 38871948 KRVYGOBOCHKRGX-UHFFFAOYSA-N 401.470 4.675 0 40 HJAB Cc1cc(O[C@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)cc(C)c1Cl 44872181 IXMPYYNTRGLCOW-GOSISDBHSA-N 400.950 4.636 0 40 HJAB CC(C)Oc1cccc(CCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 44916113 FSWZHEZTISLMBX-QFIPXVFZSA-N 412.549 4.574 0 40 HJAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(F)cc3)n2)cc1 46012138 QCGDKXMHVBOMOR-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB Cn1c(SCc2ccc(F)cc2Cl)nnc1-c1sc2ncccc2c1N 64370020 DJRHXWXOBBNJOZ-UHFFFAOYSA-N 405.911 4.759 0 40 HJAB CCOc1ccccc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1ccc(C)cn1 67294274 POZWXQQFJHQATM-LCUIJRPUSA-N 415.449 4.725 0 40 HJAB Cc1cccc(-c2cncc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)c1 72359655 KVOYRYPRVSWEGW-HXUWFJFHSA-N 410.521 4.882 0 40 HJAB COc1ccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)c(OC)c1 102744675 RVKLIFYUEGXMPQ-SZNDQCEHSA-N 418.453 4.716 0 40 HJAB O=C(/C=C/c1ccccc1Cl)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 219172481 OZRSVBQNBXFNGF-CPSHHHPTSA-N 401.915 4.789 0 40 HJAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCSc1ccc(Cl)cc1 222630200 PZRUOFUFFGOBOD-HNNXBMFYSA-N 422.953 4.515 0 40 HJAB CC[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 223077738 FLAZDJJUOIFCIE-HXUWFJFHSA-N 422.388 4.899 0 40 HJAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 223125650 BIVMASHMEYPBIZ-HXUWFJFHSA-N 408.586 4.556 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc3c(c1)CCCC3)CC(C)(C)O2 223266797 ZCKPQDPIVBIUJW-AOMKIAJQSA-N 409.526 4.760 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 223302689 VRGSQMZPGDUIMR-QFIPXVFZSA-N 424.585 4.713 0 40 HJAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1OCC 223768785 MTNHKSLAAUQHHE-JOCHJYFZSA-N 411.542 4.837 0 40 HJAB Fc1ccc(C2(CNC(=S)Nc3ncc(Cl)cc3Cl)CCOCC2)cc1 224024329 SIMRENFDHIVPSQ-UHFFFAOYSA-N 414.333 4.562 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224120081 UCGSLXRADBVAGH-HSZRJFAPSA-N 408.586 4.860 0 40 HJAB CCc1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c(Br)c1 224919304 WINFHWUIIZFKSE-UHFFFAOYSA-N 403.320 4.629 0 40 HJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225689401 JTXRALHNYLETBB-XMMPIXPASA-N 404.595 4.967 0 40 HJAB COc1cc(C)c(C)cc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc12 231425492 YQZDDTHEYRTOQM-UHFFFAOYSA-N 412.294 4.935 0 40 HJAB CC(C)c1ccc(OCCNc2ncc(C(=O)O)c(CCc3ccc(F)cc3)n2)cc1 257216223 CTPNWLIGFUVAEE-UHFFFAOYSA-N 423.488 4.713 0 40 HJAB Cc1nc(CN2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCC[C@H]23)cs1 257217210 CYANAHFPBHIXNZ-BJLQDIEVSA-N 423.504 4.845 0 40 HJAB O=C(c1nccc2ccccc12)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257258541 KUKXNWIQQFEGAV-OAQYLSRUSA-N 401.441 4.930 0 40 HJAB Cc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 408648963 YWRHEXMVRJBIQH-INIZCTEOSA-N 423.310 4.902 0 40 HJAB Cc1[nH]nc2cc(NC(=O)c3cccc(C(=O)Nc4ccc5c(C)[nH]nc5c4)c3)ccc12 540418599 SAXSZHVVAZWTDF-UHFFFAOYSA-N 424.464 4.561 0 40 HJAB COC(=O)c1c(NC(=O)Cc2ccccc2)sc(C(=O)Nc2cccc(C)c2)c1C 676535 KZNBCBXJTDSJSP-UHFFFAOYSA-N 422.506 4.585 0 40 HJAB O=C(CSc1nnc(-c2ccncc2)o1)N(C1CCCCC1)C1CCCCC1 872554 IPKWDEUGTIEBAN-UHFFFAOYSA-N 400.548 4.718 0 40 HJAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)NC3CCCCC3)C3CCCC3)cc2c1 880549 VJVXLAGYFXZVFE-UHFFFAOYSA-N 411.546 4.714 0 40 HJAB O=C(CCN1CCc2ccccc2[C@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 1293830 MRBRTBIIJAGDSN-DEOSSOPVSA-N 413.517 4.721 0 40 HJAB aggregator Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)cc1 1320592 JMKZPMSABIFJAQ-DEOSSOPVSA-N 423.871 4.795 0 40 HJAB O=C(CSc1nc(O)c2ccccc2n1)N1c2ccccc2CCc2ccccc21 1325653 QQXISXCJQDCRCT-UHFFFAOYSA-N 413.502 4.891 0 40 HJAB CCCCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1 1770117 COCYJEGPBPZQEY-HNNXBMFYSA-N 412.438 4.705 0 40 HJAB biogenic CCCSc1nc2sc3c(c2c2nnc(SCC(=O)OC)n12)[C@@H](C)CCC3 2216706 XYJSHPDQLOCBIA-JTQLQIEISA-N 422.601 4.546 0 40 HJAB Cn1c(SCc2cccc(Br)c2)nc2sc3c(c2c1=O)CCCC3 2389140 RZKUSMZLYHVLGA-UHFFFAOYSA-N 421.385 4.929 0 40 HJAB CCn1c(SCc2ccccc2Cl)nc2nc3c(cc2c1=O)COC(C)(C)C3 2394301 ODWIDVJGDLGGOZ-UHFFFAOYSA-N 415.946 4.608 0 40 HJAB CC(C)c1ccc(S(=O)(=O)c2cc3cc(Br)ccc3oc2=O)cc1 2686659 JQLBCXQLHUZBHY-UHFFFAOYSA-N 407.285 4.512 0 40 HJAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 3259055 XUCSCUINOUZWAU-UHFFFAOYSA-N 415.243 4.555 0 40 HJAB O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 3297593 SJAGVBIBRZPSMH-QHCPKHFHSA-N 420.436 4.834 0 40 HJAB CCOc1ccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)cc1OCC 4033080 FYPGJLKUCBAASB-UHFFFAOYSA-N 416.481 4.754 0 40 HJAB Cc1oc(C)c2c(=O)cc(-c3ccc4c(c3)OCO4)cc(OC(=O)c3ccco3)c12 4090858 ZESXFKGDURDJLS-UHFFFAOYSA-N 404.374 4.618 0 40 HJAB biogenic COc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccc(C)cc2)cc1 4891469 KXWFFFGGQUNDPC-UHFFFAOYSA-N 407.539 4.847 0 40 HJAB Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)Cc1ccc(Cl)cc1 5240089 RBOJCRRMQKSIAJ-UHFFFAOYSA-N 417.896 4.837 0 40 HJAB COc1cc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)ccc1OCC(=O)O 5416577 BPERWKHCZSFQRP-OAQYLSRUSA-N 402.450 4.514 0 40 HJAB COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(F)c2)cc1 5532659 ZMICLCGILKVNKM-QFIPXVFZSA-N 415.420 4.686 0 40 HJAB COc1ccc(/C=C2\CCn3c2nc2scc(-c4ccccc4)c2c3=O)cc1O 6052860 VJDSUXKBZOLWKO-LFIBNONCSA-N 402.475 4.784 0 40 HJAB Cc1ccc(C)c(OCCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 6123573 SHFAKXRBSWZIOG-UHFFFAOYSA-N 422.447 4.566 0 40 HJAB CCc1ccc(NC(=S)Nc2nc3ccccc3n2CCN2CCCCC2)cc1 6519223 AKRPAKZPLOQACE-UHFFFAOYSA-N 407.587 4.894 0 40 HJAB CCc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 6753255 HSXYSGBGZBCHEV-XMMPIXPASA-N 413.477 4.992 0 40 HJAB CCCn1c(CCc2ccccc2)nnc1SCc1nc(-c2cccs2)no1 6810763 ASLQHBBQKYMOQV-UHFFFAOYSA-N 411.556 4.877 0 40 HJAB COc1cccc(CN(C)C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)c1 6937198 RDKYIQXDMXFMCP-JYFHCDHNSA-N 405.538 4.603 0 40 HJAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)N(Cc1ccccc1)Cc1ccco1 7240346 PCVJCDQZOMBBJE-UHFFFAOYSA-N 412.902 4.525 0 40 HJAB CCCCOc1cccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 7389859 UUYMYHLCIXRRJE-UHFFFAOYSA-N 401.466 4.999 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 8434126 UIXCLRPXKJQDGR-NHCUHLMSSA-N 402.494 4.519 0 40 HJAB CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(OC)c2)c1OC 8720650 AUYJQNRBBYBLGY-QHCPKHFHSA-N 404.466 4.874 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCC1 8722800 OVEGQOANLBMOFM-ZDUSSCGKSA-N 407.297 4.635 0 40 HJAB CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1 8845964 RCPHGORSHKUYMS-NRFANRHFSA-N 414.486 4.655 0 40 HJAB CCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3cccc4cccnc34)cc12 8870359 AEAGFBQPXKUZQJ-UHFFFAOYSA-N 424.478 4.575 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1OCC 9062543 KWCBXOMUSLEACS-HXUWFJFHSA-N 424.585 4.882 0 40 HJAB CC(C)CN1C(=O)CCc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 9137725 MJOMSZPCYJPAJW-UHFFFAOYSA-N 408.542 4.937 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)c(C)c1 9414997 IUQIASOIIWHKJB-UHFFFAOYSA-N 421.501 4.586 0 40 HJAB Cc1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2Cc1ccc(Cl)cc1 9599045 GLKISFUHVANQTP-UHFFFAOYSA-N 424.953 4.786 0 40 HJAB Cc1cccc(C(=O)Nc2nc(-c3nnn(-c4ccc(C)c(Cl)c4)c3C)ns2)c1 9639097 GAYCVQKSVWVPAV-UHFFFAOYSA-N 424.917 4.617 0 40 HJAB CN(CCOc1ccc(F)cc1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 9932648 ZUEBXRJRRCCISG-UHFFFAOYSA-N 401.441 4.587 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)n2CC)cc1 14126542 AQBDHJFNMDBDQQ-UHFFFAOYSA-N 424.570 4.787 0 40 HJAB O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)c1ccc(-c2ccccc2)cc1 14244425 WQFDMDHCCQQNMA-HHHXNRCGSA-N 424.500 4.710 0 40 HJAB COc1cc(OC)c2cc(C(=O)N(Cc3ccccc3)Cc3ncccc3C)[nH]c2c1 19237773 ZMBXOQGIJQJWAH-UHFFFAOYSA-N 415.493 4.731 0 40 HJAB Cc1cnc(C(=O)N2CCC(c3cc(Cc4ccc(Cl)cc4)cc(C)n3)CC2)cn1 19691667 VIGRCVYBVDKVGW-UHFFFAOYSA-N 420.944 4.752 0 40 HJAB O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)c1ccc(C(F)(F)F)cc1 21681278 RHMDIRWLRQGQRK-UHFFFAOYSA-N 417.456 4.973 0 40 HJAB CCc1ccc([C@H](NC(=O)CCCn2cnc3c(C)cccc3c2=O)C(C)C)cc1 21974495 HKHNRZUVWLCHBU-HSZRJFAPSA-N 405.542 4.561 0 40 HJAB O=S(=O)(c1ccccc1)c1cnc2ccc(F)cc2c1NCc1ccc(F)cc1 23114523 IHCFZBAXYGWEOE-UHFFFAOYSA-N 410.445 4.958 0 40 HJAB Cc1cc(C)cc(NC(=O)c2c(N)n(C(=O)c3ccc(F)cc3)c3ccccc23)c1 28535370 AMBWOAAVIXVXJY-UHFFFAOYSA-N 401.441 4.920 0 40 HJAB COc1ccccc1-c1cc(C(=O)NC2(c3ccc(Br)cc3)CC2)no1 58357503 PVTFXWGOXYXVAI-UHFFFAOYSA-N 413.271 4.532 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C)cc3F)oc12 67293599 GUFMNVCBVWRHSE-RWEWTDSWSA-N 403.413 4.769 0 40 HJAB Cc1ccc([C@H]2C[C@@H](c3cc(Cl)ccc3C(=O)C(F)F)n3ncnc3N2)cc1 72333470 ARQBPDXEKBWBDI-SJORKVTESA-N 402.832 4.834 0 40 HJAB Cc1cc(C)cc(N([C@@H]2[C@H]3CC[C@@](C)([C@H]2O)C3(C)C)S(=O)(=O)c2ccccc2)c1 72419134 XOYOZKHVKVMVIE-SVPADUAOSA-N 413.583 4.684 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3cccc(C)c3C)cc2)cc1C 89686408 CKYYANKIGNRRQU-UHFFFAOYSA-N 423.534 4.965 0 40 HJAB CCc1nc2ccccc2n1Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 97164482 MMKMQFPFDBJANQ-UHFFFAOYSA-N 404.470 4.751 0 40 HJAB C[C@H]1CC(=O)N(c2cccc(C(=O)Nc3cccc(-c4cccc(F)c4)c3)c2)C1=O 100770953 LFFXPKLWUSZHRR-HNNXBMFYSA-N 402.425 4.644 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1OC 210201760 XFOIPJRNVLRWMR-XNTDXEJSSA-N 405.859 4.607 0 40 HJAB CC(C)Oc1ccc(CNC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219469774 SAURDJODVTVKJF-UHFFFAOYSA-N 402.494 4.684 0 40 HJAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1O 222660960 HKZAHQXWKJGSJG-FSPWUOQZSA-N 403.935 4.819 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 222982816 PHFKAPISPWWXGB-NHCUHLMSSA-N 421.522 4.812 0 40 HJAB O=C(Nc1ccccc1F)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224030369 ARBRGMJFCGQYFF-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224648995 BRTJKMRSAFPCTH-UHFFFAOYSA-N 411.523 4.798 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 225158783 TZWLEYSQVLCDFH-IBGZPJMESA-N 414.977 4.833 0 40 HJAB COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCC4)cc3)CCCC2)cc1 225531343 LTZWBEPJKFXDEL-UHFFFAOYSA-N 408.542 4.620 0 40 HJAB O=C(COc1ccccc1)N1CCC[C@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 257262690 LMLFSDJVTNMWEM-IBGZPJMESA-N 422.475 4.736 0 40 HJAB CCCOc1ccc(N2C[C@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)cc1 408706496 AHBNYJRDTUYLFX-LMDPOFIKSA-N 400.563 4.549 0 40 HJAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3N3CCC(C)CC3)CC2=O)c1C 408709113 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Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2cccc(F)c2)no1 5201581 WBXSNBOVTRXTGQ-HXUWFJFHSA-N 404.397 4.595 0 40 HJAB CC(=O)CCCSc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3 5576599 XBHOEZZPPLTSPB-UHFFFAOYSA-N 400.573 4.834 0 40 HJAB Cc1cc(I)ccc1NC(=O)Cn1c(C)cc2ccccc21 6044135 MBXVLFILXNTCMC-UHFFFAOYSA-N 404.251 4.501 0 40 HJAB O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1Cc1cccnc1 6144478 QSQILWJBPVSHHU-QFIPXVFZSA-N 418.547 4.770 0 40 HJAB CCCOc1cccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c1 6265130 MYHYGMFMAIKZDE-UHFFFAOYSA-N 405.932 4.865 0 40 HJAB Cc1c(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(=O)n(-c2ccccc2)n1C 6824878 SIIALBWZQNUSBC-UHFFFAOYSA-N 407.857 4.650 0 40 HJAB CCOc1cc2c(cc1[C@@H]1Nc3ccccc3C(=O)N1Cc1ccco1)O[C@@H](C)C2 7112959 HCFKAGUULIOCIM-NPMXOYFQSA-N 404.466 4.768 0 40 HJAB O=C(COc1ccccc1-c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 7158773 XTDYYDGPTBZNDG-UHFFFAOYSA-N 406.913 4.735 0 40 HJAB CCN(CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(C)cc1 7263638 ZDFLSZATKRHROG-QHCPKHFHSA-N 418.537 4.605 0 40 HJAB CCCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1CC 7605434 CZBIJXJEQQZLFZ-UHFFFAOYSA-N 406.861 4.654 0 40 HJAB CCCCCCC1=NN(C(=O)c2ccc(Br)cc2)[C@](O)(C(F)(F)F)C1 8441022 SCPNYFGLHWXSSX-MRXNPFEDSA-N 421.257 4.872 0 40 HJAB O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1 9062103 TWIAQOOCDCQNJH-CCEZHUSRSA-N 410.433 4.641 0 40 HJAB Cc1ccc(-c2n[nH]c(SCC(=O)N(C)[C@H](C)c3nc4ccccc4s3)n2)cc1 9478679 YNVYHNKLXCAKDV-CQSZACIVSA-N 423.567 4.702 0 40 HJAB CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1cccc(C)c1 9645873 DEYUDXMDGOZSJE-UHFFFAOYSA-N 401.509 4.701 0 40 HJAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 9904091 QZNDXDNFAYSFFK-MRXNPFEDSA-N 412.536 4.607 0 40 HJAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1 11136757 GHPKLUBVCIXLHO-UHFFFAOYSA-N 423.490 4.651 0 40 HJAB COCc1c(C(=O)N2CCN(c3ccccc3Cl)CC2)sc2cccc(F)c12 12558232 PSQIFIFKJKDIOU-UHFFFAOYSA-N 418.921 4.803 0 40 HJAB Cc1nc(COc2cccc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)c2)cs1 12559401 GJFQTHIOOYDHNP-MRXNPFEDSA-N 418.522 4.707 0 40 HJAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OC 12602272 UZACCYHZFFAMNT-QZEKMECESA-N 411.889 4.610 0 40 HJAB Cc1nc2cc(NC(=O)COc3c(C)cc(Br)cc3Cl)ccc2o1 12740862 HYXKLDKCFGZADK-UHFFFAOYSA-N 409.667 4.878 0 40 HJAB O=C(/C=C/c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1c1nnc2n1CCCCC2 12742089 KYUHKYKHWUQIQG-IWAYRVGRSA-N 405.329 4.688 0 40 HJAB CCCCCN(Cc1ccc(F)cc1)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C 12789132 DNTUVPFPJQMNAZ-ROUUACIJSA-N 403.542 4.522 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(-c3nnc4n3CCCCC4)c2)cc1F 12798876 FOGYQVINSBYYRI-MRXNPFEDSA-N 408.477 4.525 0 40 HJAB Cc1ccc(-c2csc3ncn(Cc4noc(-c5cccs5)n4)c(=O)c23)s1 12944181 MPIZZAFTNIBJGP-UHFFFAOYSA-N 412.521 4.655 0 40 HJAB COc1ccc(NC(=O)c2nnc(CN(C)Cc3ccc4ccccc4c3)s2)cc1 12949403 JLQXUJCCRFSCBF-UHFFFAOYSA-N 418.522 4.584 0 40 HJAB CC(=O)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)Oc2ccccc21 13109246 VZKHGEUWELQBLX-QFIPXVFZSA-N 422.868 4.885 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 13695880 WNECZRWLYDNFOZ-UHFFFAOYSA-N 421.884 4.855 0 40 HJAB CCOc1cc(C(=O)N2CCC[C@@H]2c2cccs2)cc(Br)c1OC 14110104 BNWVSZLFWUCNHH-CQSZACIVSA-N 410.333 4.895 0 40 HJAB C[C@@H]1CCCN(Cn2nc(CSc3nc4ccccc4s3)n(C)c2=S)C1 14200360 ZXYLBYFJILHUCV-CYBMUJFWSA-N 405.618 4.542 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 15883221 BHONTPCPKLWBHQ-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB CC1=CC(C)(C)N2C(=O)[C@@]3(S[C@H](C)C(=O)N3c3ccc(F)cc3)c3cc(C)cc1c32 17093153 HQDGNQITBQJHIH-MYYSRTQBSA-N 422.525 4.998 0 40 HJAB Cc1ccc(NC(=O)c2cc([C@H]3CCCN(C(=O)C4CCCCC4)C3)no2)cc1C 19214067 NGDRVCBTHGCGCA-IBGZPJMESA-N 409.530 4.830 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CCC2)C1 19449081 SSNQDZVAJFEEFP-DEOSSOPVSA-N 410.583 4.501 0 40 HJAB CC(C)Oc1cccc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1 19450832 AXHOXKJVIUYWDT-DEOSSOPVSA-N 423.601 4.984 0 40 HJAB COc1ccccc1CCC(=O)N1CCC[C@@H]1c1ccc(Cc2ccccc2)cn1 19687943 BASLHLXFXDETER-XMMPIXPASA-N 400.522 4.977 0 40 HJAB CCSc1ccccc1NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 20481421 RAZBDYHUXFGQJH-UHFFFAOYSA-N 420.600 4.501 0 40 HJAB COc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 21579466 BXFQFDQWMZYKLW-UHFFFAOYSA-N 404.422 4.530 0 40 HJAB COc1ccc([C@H](NC(=O)c2cc3c(s2)CCCCCC3)c2nccn2C)cc1 22471123 PYJYPTRNPUZPBQ-NRFANRHFSA-N 409.555 4.669 0 40 HJAB CC(=O)c1cccc(NC(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)c1 23136896 LKKXPNDAQOKZPC-UHFFFAOYSA-N 403.410 4.943 0 40 HJAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24536999 MWOOMPKBISRABR-INIZCTEOSA-N 408.498 4.654 0 40 HJAB O=S(=O)(c1ccc(Br)cc1Cl)N(Cc1cccs1)C1CC1 28041304 PDGHHDKSLWZHPR-UHFFFAOYSA-N 406.754 4.517 0 40 HJAB Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)cc(=O)c2cc1C 28289965 SKDBCGKAQISRBP-IBGZPJMESA-N 424.566 4.818 0 40 HJAB CC(=O)O[C@@H](COc1ccc(Cl)cc1)CN(Cc1ccccc1)Cc1ccco1 32593449 IOZFHIIXZPSGNV-HSZRJFAPSA-N 413.901 4.946 0 40 HJAB COc1cc(Cl)c(NC(=O)c2cnc(SC)n2-c2ccc(F)cc2)cc1OC 32883033 KSFSFAMWGCRJRN-UHFFFAOYSA-N 421.881 4.656 0 40 HJAB COc1ccc2c(c1)CCCN2C(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 33163112 SDUZYPIAXOFGSW-UHFFFAOYSA-N 424.504 4.900 0 40 HJAB O=C(O)CCC(=O)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@H]1c1cccs1 51329695 OFSWBVKSEHHYTE-NRGQTZKASA-N 400.525 4.797 0 40 HJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cc(F)ccc3C)oc12 67295948 VYTBKUHNXDEMLF-GFMRDNFCSA-N 409.442 4.830 0 40 HJAB O=C(C1CCCCC1)N1CCC[C@@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1 72374512 JQEWHXCBMFCCMX-OAQYLSRUSA-N 403.530 4.814 0 40 HJAB COc1cc(/C=C/C(=O)NCc2ccccc2-c2ccsc2)cc(OC)c1OC 96383424 AYYUSVLNXRJCGL-CMDGGOBGSA-N 409.507 4.771 0 40 HJAB CCn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)c(C)n1 118916071 KQSUPNWTORYXDA-YHYBJSAZSA-N 412.618 4.969 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 223022012 XZKBKNOYJMTMDY-LJQANCHMSA-N 402.922 4.973 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1Cc1ccccn1 223557869 PSCQEFCCERNXMU-XZOQPEGZSA-N 417.582 4.956 0 40 HJAB CCC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223594108 FDUYKXRSYPTXRA-UWJYYQICSA-N 400.950 4.605 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 223688409 KXCJFVNKYUHGOZ-XMMPIXPASA-N 408.586 4.878 0 40 HJAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1 223885899 YEJXKVUISIFMGL-FGZHOGPDSA-N 405.571 4.707 0 40 HJAB CCCSc1nnc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)s1 223887633 SVBKJRVZBYNDAT-UHFFFAOYSA-N 410.996 4.544 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(OC(C)C)c3)c2)c1 223950831 NOQFJUQYZLVCPO-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1C 223998734 CNSCEPKBTPHKPS-IBGZPJMESA-N 414.552 4.738 0 40 HJAB COc1cccc(OCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 224276240 PJQGDMNEUGUPIP-UHFFFAOYSA-N 411.885 4.736 0 40 HJAB O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 224938962 FNDOEHRGWPYYAU-UHFFFAOYSA-N 415.940 4.930 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225011704 DYDGIQPAKJTFHP-JKSUJKDBSA-N 421.368 4.868 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(CC)cc1 225417052 NKXZCPDUVUWQLD-DEOSSOPVSA-N 424.585 4.524 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)c3nc(NN)sc3c2)cc1 226313046 KCNOPYGZOHPUHO-UHFFFAOYSA-N 404.923 4.550 0 40 HJAB CC(C)C[C@@H]1[C@H](Nc2cccc(Cl)c2)CCCN1C(=O)CCc1ccnn1C 257230577 GCXMGOVFJZCCFU-NHCUHLMSSA-N 402.970 4.524 0 40 HJAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(C)cc1Br 408643250 QUWFLUGMLGKNAV-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB CC1(C)[C@@H](C(=O)Nc2c(-c3ccccc3)nc3ncccn23)[C@@H]1C=C(Cl)Cl 606422320 NNFNPSILGQTUIO-DZGCQCFKSA-N 401.297 4.926 0 40 HJAB Cn1ccnc1[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1F 685519149 KYWIHFJDBHHFNU-ZIFCJYIRSA-N 417.406 4.587 0 40 HJAB CC(C)(C)O[C@H]1C[C@@H](CC(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 643279 OHWTZEARHIOFMA-IRXDYDNUSA-N 423.509 4.668 0 40 HJAB COc1ccc(NC(=S)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCC2)cc1 907812 SMTOBPVWPFAAAN-UHFFFAOYSA-N 421.566 4.987 0 40 HJAB Fc1ccc(-c2csc3ncnc(Sc4nnnn4-c4ccccc4)c23)cc1 1094038 GEFXAUDTCRZXTB-UHFFFAOYSA-N 406.471 4.624 0 40 HJAB CCc1cccc2c(S[C@@H](C)C(=O)NC[C@H]3CCCO3)nc(-c3ccccc3)nc12 1326138 DXBSMZQTBZTELF-QFBILLFUSA-N 421.566 4.635 0 40 HJAB O=C(COC(=O)/C=C/c1ccc(OC(F)F)cc1)Nc1ccc(Cl)c(Cl)c1 2653562 GICNXBSPSBZEDS-FPYGCLRLSA-N 416.207 4.790 0 40 HJAB CC(=O)Nc1ccc(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 2660081 ZCIBSLHWBFARSJ-UHFFFAOYSA-N 404.491 4.607 0 40 HJAB O=C(COC(=O)CCSc1ccccc1Cl)Nc1ncc(Cl)cc1Cl 3260922 SYVJGXSIEJHCFF-UHFFFAOYSA-N 419.717 4.706 0 40 HJAB CCOc1cc(C(=O)Nc2nc3c(OC)cccc3s2)cc(OCC)c1OCC 4134993 SFPCNGWWINQBPL-UHFFFAOYSA-N 416.499 4.753 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4598686 DIWZYPPIUZLIDV-CQSZACIVSA-N 400.906 4.638 0 40 HJAB CCCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c(oc3ccccc32)c1=O 4852709 HIWCQJMLGPUFPZ-UHFFFAOYSA-N 421.522 4.900 0 40 HJAB COc1ccc(C(C)=O)cc1CSc1nnc([C@H](C)Oc2ccccc2F)o1 4937905 WJVYWGGDYSZLLF-ZDUSSCGKSA-N 402.447 4.852 0 40 HJAB Clc1cccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)c1 5515983 ZOQYDPIIIKWEMA-FGZHOGPDSA-N 413.868 4.539 0 40 HJAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 5975162 UOCKWKYIOLPRGZ-MCADVSAISA-N 402.538 4.633 0 40 HJAB CCc1ccc(OCC(=O)Nc2ccccc2Br)c(Br)c1 5985093 BWCMQNJQLCTRBR-UHFFFAOYSA-N 413.109 4.792 0 40 HJAB COc1c(C(=O)Nc2ccc(NC(C)=O)cc2)cc2ccccc2c1Br 6186251 KOOPMTHFHOQFPT-UHFFFAOYSA-N 413.271 4.822 0 40 HJAB CC(=O)Nc1cccc(Oc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)c1 6399050 USVSJHKFUZZNSF-UHFFFAOYSA-N 402.479 4.993 0 40 HJAB O=C(N/C(=C/c1ccc2c(c1)OCO2)c1nc2ccccc2s1)c1ccccc1 6514587 RKVGTGJGUHQPBS-LDADJPATSA-N 400.459 4.953 0 40 HJAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 6830968 SYBMJOIIABQHIP-GJZGRUSLSA-N 421.563 4.586 0 40 HJAB Cc1ccc(Sc2ccc(N[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)cc2)c(C)c1 7243487 IDTSXPBKPXISDH-QGZVFWFLSA-N 419.550 4.993 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C2CC2)c1C 7855480 XQQSXKMXKHWLLM-ZDUSSCGKSA-N 414.556 4.853 0 40 HJAB COc1ccccc1CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 8136209 JZCVVVXJSSVMNG-UHFFFAOYSA-N 403.507 4.599 0 40 HJAB COc1cc(C(C)=O)ccc1OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 8230062 CQFPFVFESZSDBH-UHFFFAOYSA-N 413.857 4.506 0 40 HJAB c1ccc([C@H]2Sc3nnc([C@@H]4CCCO4)n3N=C2c2c[nH]c3ccccc23)cc1 8278801 HOKONEQXAMFALV-AZUAARDMSA-N 401.495 4.710 0 40 HJAB CCOc1ccccc1CN(C(=O)Nc1ccccc1)c1nnc2n1CCCCC2 8325583 SYEZGPMVMCMYCN-UHFFFAOYSA-N 405.502 4.642 0 40 HJAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1 8830505 LDYNUQMYVUEJNR-UHFFFAOYSA-N 422.531 4.766 0 40 HJAB aggregator Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)c1 8915454 SAHLWRDBRKFHBQ-IBGZPJMESA-N 408.325 4.888 0 40 HJAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)Nc1ccc(Cl)cn1 9255068 SQWLYFDWRRSDGX-UHFFFAOYSA-N 423.881 4.807 0 40 HJAB Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C1=O 9319895 BSNNENDIYSJYIY-UFYCRDLUSA-N 424.909 4.761 0 40 HJAB O=C(CCCn1c(=O)oc2ccccc21)N1CCCC[C@H]1c1nc2ccccc2s1 9449355 JPNXNJGVWJOENN-SFHVURJKSA-N 421.522 4.738 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(Cl)cc1)N(CCCN(C)C)C3=O 10233143 CMTYIDMZERFZMC-NRFANRHFSA-N 424.928 4.560 0 40 HJAB O=C(Nc1ccccc1)C1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1 10446715 HBURXEVLYSCFGG-UHFFFAOYSA-N 420.484 4.896 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCC(=O)c1ccc2ccccc2c1 11084287 HYGQHTRHAXLWJO-UHFFFAOYSA-N 411.505 4.706 0 40 HJAB COc1ccc(Cc2nnc(S[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cc1 11649182 KNJARVXSXZFXFL-NSHDSACASA-N 421.881 4.581 0 40 HJAB COc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc(Br)c1O 12659599 JKTLPEVNQMZXEM-IZZDOVSWSA-N 420.284 4.788 0 40 HJAB CCCCc1noc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)n1 12777622 SIWDDQAJHZYLNJ-DEOSSOPVSA-N 407.514 4.577 0 40 HJAB Cn1c(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)nnc1C1CC1 13114436 LZYJBJDTPYSMTL-SFHVURJKSA-N 422.579 4.665 0 40 HJAB CC(C)Cc1nc2oc3c(NCc4ccncc4)ncnc3c2c2c1COC(C)(C)C2 13206995 KDWBCCZGIYJLEA-UHFFFAOYSA-N 417.513 4.828 0 40 HJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 13685291 NBUMPSCSQNTUGH-KRWDZBQOSA-N 414.461 4.769 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)Nc1cccc(C)c1C 14153376 FUHGYPWJZMCWEH-UHFFFAOYSA-N 412.486 4.804 0 40 HJAB COc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(C)c(C)c3)c3ccccc23)cc1 16777526 DLTCFUJZKSZHAA-UHFFFAOYSA-N 413.477 4.790 0 40 HJAB CC(C)Cn1c(SCc2nc(-c3ccc(F)cc3)no2)nc2ccsc2c1=O 16843327 TZPMTASQYVBUIY-UHFFFAOYSA-N 416.503 4.595 0 40 HJAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 17088334 JSQDCCHGUHRZPF-YBYKNVHQSA-N 409.555 4.600 0 40 HJAB CCc1cccc(C)c1NC(=S)NC(=O)c1cc(Br)cc(C)c1OC 17092635 GATLIOOPWPNVGF-UHFFFAOYSA-N 421.360 4.764 0 40 HJAB CC(C)C(=O)N1CCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19085596 NEAIBFIKWWYODD-HXUWFJFHSA-N 405.477 4.741 0 40 HJAB COc1ccc(C(C)(C)C)cc1CN1CCC(c2noc(-c3cnc(C)cn3)n2)CC1 19239041 BRRDZOLWIHGTCD-UHFFFAOYSA-N 421.545 4.521 0 40 HJAB COc1ccc2c(c1)c(C(=O)Cn1c(C3CCOCC3)cc3cccnc31)c(C)n2C 19581522 QSNWKJVFMLVOOY-UHFFFAOYSA-N 417.509 4.622 0 40 HJAB CN(Cc1ccccc1)C[C@@H](O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 19586521 IFWGEOSMPBRJOL-RUZDIDTESA-N 418.512 4.584 0 40 HJAB CCOc1ccccc1-c1nnc(NC(=O)C2(c3cccc(C)c3)CCOCC2)s1 19654787 JDTYHOCUEBKKJX-UHFFFAOYSA-N 423.538 4.599 0 40 HJAB Cc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5)nc4nc3C2)cc1 20632386 HRVUUCHWLCSZJM-GOSISDBHSA-N 400.507 4.638 0 40 HJAB COc1ccc(CN(C)C(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1F 23734639 RPFAONCAYOHXHD-UHFFFAOYSA-N 401.441 4.717 0 40 HJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCc1nc2ccccc2s1 24927406 HWNDMZLANRQJOQ-UHFFFAOYSA-N 400.454 4.632 0 40 HJAB CCC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 24977906 CWBRFSASRUHUSM-IFXJQAMLSA-N 407.341 4.639 0 40 HJAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCC(c1ccccc1)c1ccccc1 25065691 XSLZVJFVWIHFJK-LJQANCHMSA-N 401.510 4.535 0 40 HJAB Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3)N3CCCCC3)cc(=O)c2cc1Cl 28292593 OCBPNGIZRZNNJU-FQEVSTJZSA-N 424.928 4.712 0 40 HJAB C[C@H](NCc1cc(Br)c2c(c1)OCO2)c1ccccc1OC(F)F 28926281 WEXJILOSEHYGEG-JTQLQIEISA-N 400.219 4.630 0 40 HJAB CC[C@H](SCc1csc(-c2ccc(OC)cc2)n1)C(=O)Nc1cc(C)on1 31413659 VAJSPTLPRBYAMU-INIZCTEOSA-N 403.529 4.766 0 40 HJAB CC[C@@H](C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 32903708 ZLQXJWGXMXEXFX-CRAIPNDOSA-N 420.600 4.609 0 40 HJAB Cc1ccccc1SCC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 32930118 HDMDDXHIUKGOLI-UHFFFAOYSA-N 412.536 4.527 0 40 HJAB O=C(c1nc2ccccc2s1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 38518947 OETBBWFPPNNQNL-UHFFFAOYSA-N 408.458 4.505 0 40 HJAB CCSc1nnc(SCCC(=O)Nc2ccc(Br)cc2)s1 40122974 UWFFVOYHBYTHMQ-UHFFFAOYSA-N 404.380 4.534 0 40 HJAB CC(C)CS(=O)(=O)CCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 40140413 UGTIBZUQJBOYPW-UHFFFAOYSA-N 421.371 4.516 0 40 HJAB O=C(CCn1c(-c2ccccc2)cc2ccccc21)Nc1ccc(Cn2cncn2)cc1 40287456 CGIDNYQJHKKOTC-UHFFFAOYSA-N 421.504 4.977 0 40 HJAB CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)CCOc2cccc(C)c2C)cc1 44625966 RTECAMCESRUNCC-LJQANCHMSA-N 411.546 4.823 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 44855363 DXYWFGYPDCIKGT-UGKGYDQZSA-N 410.533 4.765 0 40 HJAB C[C@@H](Sc1ncc(-c2cccc(Br)c2)o1)C(=O)NCc1cccs1 45943397 BACMVZKQZAXPEG-LLVKDONJSA-N 423.357 4.963 0 40 HJAB Cc1cc(-n2nnc(C(=O)OCc3cccc(Cl)c3)c2C)ccc1Br 46914097 RLMGZWXOUUABHC-UHFFFAOYSA-N 420.694 4.657 0 40 HJAB C=CC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1 57237121 UNTZNEMQFYODCM-UHFFFAOYSA-N 402.450 4.542 0 40 HJAB O=C(Nc1ccccc1N1CCCCCC1)N1CCC[C@@H](c2nnc3ccccn23)C1 57866281 ANGDHPCPELUSID-LJQANCHMSA-N 418.545 4.521 0 40 HJAB COc1ccc(C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 58110327 QHUWMSMLYZZHDP-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB COc1cn(-c2ccccc2)nc1C(=O)N(C)c1ccc(Br)cc1Cl 58305709 OYBMORFFCGMABE-UHFFFAOYSA-N 420.694 4.573 0 40 HJAB CC(=O)c1cccc(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)c1 64788014 LFCHWANZCZWOHB-UHFFFAOYSA-N 423.881 4.531 0 40 HJAB Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nc(-c3ccc(F)cc3)no2)cc1 71195069 NSGATDBWJGMIAV-OAQYLSRUSA-N 401.441 4.898 0 40 HJAB Cc1cc(C)cc(C[C@@H](C(=O)O)[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 71405982 CSJXHFTXPSCDFE-KBXCAEBGSA-N 409.404 4.720 0 40 HJAB CC(=O)NCc1ccc(-c2csc(NC(=O)C/C=C/c3ccc(F)cc3)n2)s1 72310347 KDGMHBRHPNCAMM-NSCUHMNNSA-N 415.515 4.689 0 40 HJAB COc1ccccc1Cc1cccc(C2CCN(C(=O)Cc3ccccc3)CC2)n1 72349021 NVFSAKFILTZJCM-UHFFFAOYSA-N 400.522 4.630 0 40 HJAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3c[nH]nc3C)C2)n1 72356169 KRVZLIZARFGUAG-LJQANCHMSA-N 408.933 4.686 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2cc(CCC)on2)n1 72390684 WTXNCYNKDFPOFE-NRFANRHFSA-N 419.529 4.799 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H]2CCCc3ccccc32)cc1 216443505 UXRKDTOCTQXDAA-QFIPXVFZSA-N 420.534 4.603 0 40 HJAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223416766 SUCCZKUAVIVQGS-NRFANRHFSA-N 400.950 4.982 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 224407721 JZLPJDINJCBRRW-XMMPIXPASA-N 424.560 4.851 0 40 HJAB Cc1ccc(CN(C(=O)CSc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224732901 QLMGDCUEXVCDGN-HXUWFJFHSA-N 424.610 4.953 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 225134677 SJHMOSLODSHFAD-SJORKVTESA-N 418.990 4.764 0 40 HJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CC 225398278 XTYOJUAMAMUDQU-OAQYLSRUSA-N 400.950 4.606 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 225524953 KMNLIPNMGLFBPR-OFNKIYASSA-N 424.585 4.713 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 225720914 BTPPQTPIVQOYKM-JOCHJYFZSA-N 412.599 4.809 0 40 HJAB CCC1(CC)C[C@H](NC(=O)c2ccc(CN3CCCC3=O)cc2)c2ccccc2O1 225863572 SHLVTIYXIRLVQB-NRFANRHFSA-N 406.526 4.621 0 40 HJAB O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3cccc(Cl)c3)C2)no1 257214136 CKSANHZVASLLBH-KRWDZBQOSA-N 401.938 4.770 0 40 HJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCC2=CCCCC2)cc1 408675429 IOPIFXNNGOPRTO-UHFFFAOYSA-N 402.494 4.804 0 40 HJAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1 409050815 AEXUFBCPUZDSII-UHFFFAOYSA-N 412.961 4.806 0 40 HJAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O 409171070 YOYDGNYTTXRDNB-CAOIWOLBSA-N 406.507 4.925 0 40 HJAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/C(C)=C/c3ccccc3)C2=O)cc1 409184309 XGHDWSJKINWKFN-FNBOUAQFSA-N 406.507 4.870 0 40 HJAB CCCN1C(=O)N/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)C1=O 409220479 AJRACHMDSKWIGR-KGENOOAVSA-N 404.441 4.861 0 40 HJAB CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 409409362 ODJRGGJUUUGHTB-UHFFFAOYSA-N 408.951 4.678 0 40 HJAB COc1cccc([C@@H](CO)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 679243853 XXRARTWCEJYRLQ-OAQYLSRUSA-N 415.411 4.844 0 40 HJAB O[C@H](CNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)COc1ccccc1 1162111300 NVOXAOFKTOWKDO-GOSISDBHSA-N 405.885 4.802 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)C(=O)NCCc1ccc(-c2cccs2)s1 1889291917 NWEPNRDOEGUPTG-UHFFFAOYSA-N 404.944 4.736 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1[C@H](C)Oc1ccccc1 687650 FMOONCQGVBYSKX-KRWDZBQOSA-N 410.543 4.786 0 40 HJAB O=C(c1c(F)cccc1F)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363530 IXYVPHFQZZKXKO-ZDUSSCGKSA-N 403.816 4.688 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)OC(C)(C)C)c1C 2763199 DHSBVEPTFMDYMA-UHFFFAOYSA-N 407.463 4.580 0 40 HJAB O=C(N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)s1)c1ccc(Cl)s1 3176567 KRNAHILPHPVUTI-UWVGGRQHSA-N 403.356 4.587 0 40 HJAB Cc1nc2ccccc2nc1CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 3410600 ILIXJJSIIVNDNZ-OAHLLOKOSA-N 423.567 4.730 0 40 HJAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN(C)C2CCCCC2)cc1 3445251 RXWJRADLNABFMW-UHFFFAOYSA-N 409.530 4.541 0 40 HJAB CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cccc(F)c3)N2C1=O 3636853 SNXGXRXDFQWDCF-QUCCMNQESA-N 424.497 4.608 0 40 HJAB CC(C)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 4285902 LKMVFTFJZTUGIQ-UHFFFAOYSA-N 413.568 4.718 0 40 HJAB C[C@H]1CCCC[C@H]1NC(=O)CSc1ncnc2c(-c3ccc(F)cc3)nsc12 4886005 MUKYFAXMEFAQCP-SWLSCSKDSA-N 416.547 4.679 0 40 HJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)/C=C/c1ccc(Br)o1 5415732 FYOSXYPMNZEHJT-UWSDKEQXSA-N 413.308 4.603 0 40 HJAB CC(C)c1ccccc1NC(=O)CSc1ncnc2c1cnn2Cc1ccccc1 5557233 CXIONOAKTVCLIP-UHFFFAOYSA-N 417.538 4.729 0 40 HJAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n1C 6147663 AXVUVHQAFRBZTI-UHFFFAOYSA-N 410.543 4.519 0 40 HJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCC(C)C)c(OCC)c1 6207381 PWYNZPKUQQUNEM-FQEVSTJZSA-N 416.543 4.888 0 40 HJAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC3CC3)n2-c2ccccc2)cc1 6515757 ZAZZIFZQSIGLQL-UHFFFAOYSA-N 406.555 4.603 0 40 HJAB Cc1cccc(OCCn2c([C@@H]3CC(=O)N(c4ccccc4)C3)nc3ccccc32)c1 6608858 ILCYDZCWYHXVBC-HXUWFJFHSA-N 411.505 4.944 0 40 HJAB CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3c(cc(C)c4c(C)coc43)oc2=O)cc1 6623898 AUQXZBAMHAYSLA-UHFFFAOYSA-N 418.449 4.604 0 40 HJAB biogenic CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)OCC)C1=O 6651800 VUQZRFFEPMRAMH-UYRXBGFRSA-N 413.495 4.618 0 40 HJAB CCc1nnc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)s1 6864820 NOGLKIKIPRRKOB-UHFFFAOYSA-N 403.891 4.594 0 40 HJAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc2c(c1)CCC2 8156278 HEZMBASJQNBJAM-CYBMUJFWSA-N 410.568 4.950 0 40 HJAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cc(OC)c(OC)cc2C)CC1=O 8327692 OZRWBNVNWMGDDY-WBVHZDCISA-N 410.514 4.517 0 40 HJAB CCN(Cc1cccc(F)c1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 8346244 GSAGJZJCAYTYTB-UHFFFAOYSA-N 400.457 4.736 0 40 HJAB Cc1cccc(C)c1NC(=O)CNc1nc(CN2CCCC2)nc2sc(C)c(C)c12 8750660 GGSKWVRBBGGVEH-UHFFFAOYSA-N 423.586 4.571 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4)o3)C2=O)cc1 9311520 FONNHMHPACRCFB-DEDYPNTBSA-N 418.474 4.930 0 40 HJAB CN(C)c1ccc([C@@H](CNC(=O)Cc2ccsc2)c2c[nH]c3ccccc23)cc1 9336149 RZMRUKBWIGTVHL-OAQYLSRUSA-N 403.551 4.786 0 40 HJAB Cc1cccc(C(=O)Nc2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)cc2)c1 9366525 NAQQZUBUAINJFZ-HXUWFJFHSA-N 416.521 4.764 0 40 HJAB C[C@H](C(=O)NCc1ccccc1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 9579060 JFYXSCUQKJUEDD-OAHLLOKOSA-N 413.974 4.834 0 40 HJAB O=C(COCc1nc2ccccc2s1)N1CCC(c2nc3ccccc3s2)CC1 9666832 BBSSJZPORHHBGV-UHFFFAOYSA-N 423.563 4.829 0 40 HJAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCc1nc2ccccc2s1 11516652 QEMMNLYCWPSQGH-UHFFFAOYSA-N 418.474 4.562 0 40 HJAB CCc1cccc(CC)c1NC(=O)COC(=O)/C=C/c1cc2cccc(OC)c2o1 11578842 ZLNXDJNEOYWYCT-OUKQBFOZSA-N 407.466 4.761 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(OCC)cc3)on2)sc(C)c1C 11915172 BRMUYHSUGMYKSQ-UHFFFAOYSA-N 414.483 4.848 0 40 HJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 12541232 CWRJEIOYJBKPOB-AWEZNQCLSA-N 406.486 4.934 0 40 HJAB COc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 12761130 AYHCGIJGNKNJIV-UHFFFAOYSA-N 419.852 4.721 0 40 HJAB CC(C)=C[C@@H]1[C@@H](C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)C1(C)C 12987793 ABQBIWXPMGCECP-OFNKIYASSA-N 415.537 4.690 0 40 HJAB CCOc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccn(CC)n3)nc12 13702586 BPWCNDMXYFVXAW-UHFFFAOYSA-N 406.511 4.758 0 40 HJAB Cc1ccc2c(Cl)cc(Cl)c(OCc3cc(=O)n4c(C)csc4n3)c2n1 16209454 BJIABZFIYCPPRT-UHFFFAOYSA-N 406.294 4.807 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 17082558 QQVOXBSPDWPKBC-VGOFMYFVSA-N 402.837 4.793 0 40 HJAB Cc1nc2sc(C(=O)Nc3ccc(OCc4ccccc4F)cc3)c(C)c2c(=O)[nH]1 19718960 HHLXUBMGCZPTOR-UHFFFAOYSA-N 423.469 4.572 0 40 HJAB CCCCOC(=O)c1ccc2nc(NC(=O)COc3ccc(C)cc3C)sc2c1 20411530 RTPAGBXUGCMRGV-UHFFFAOYSA-N 412.511 4.888 0 40 HJAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)COc2ccccc2Cl)cc1O 21125237 VUKLGISXKFYVTC-UHFFFAOYSA-N 410.857 4.624 0 40 HJAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 21805442 QYTYDIKPEWFFOH-QGZVFWFLSA-N 401.919 4.623 0 40 HJAB COc1ccc(Cl)cc1NC(=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 23140458 WHFCHGNBKHJILE-LBPRGKRZSA-N 418.906 4.872 0 40 HJAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(Cc2cccs2)CC1 23736687 IHGOOKZTBYMAGS-UHFFFAOYSA-N 403.507 4.514 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1C 24778084 WEMCVEPTAOWAQY-UHFFFAOYSA-N 420.366 4.549 0 40 HJAB C[C@H](Sc1nc2ccccc2n1C(F)F)c1nc(N)nc(Nc2ccccc2)n1 25983906 MQMICYXSALYTNJ-NSHDSACASA-N 413.457 4.796 0 40 HJAB O=C(c1cccs1)N1CCC(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)CC1 32880021 LJGIRXVCAPIZBP-UHFFFAOYSA-N 420.937 4.584 0 40 HJAB O=C(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1cccc(C(F)(F)F)c1 35597369 VUOMBPOOTFHNSV-UHFFFAOYSA-N 424.386 4.677 0 40 HJAB CCC[C@@H](NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 36420486 WEUQCIONJNMBFM-YADHBBJMSA-N 408.542 4.642 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)cc1F 57426028 CSGNOJNLKDMJEU-UHFFFAOYSA-N 419.547 4.682 0 40 HJAB Fc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCCO4)=NN21 67321526 NMQFIBJTBABNOV-RDPSFJRHSA-N 402.425 4.839 0 40 HJAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1)C1CC1 72215390 VLUAUGNOIAFQOE-HXUWFJFHSA-N 407.514 4.963 0 40 HJAB O=C(Cc1cccnc1)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349412 PINANVUJEXRIGR-HXUWFJFHSA-N 405.929 4.670 0 40 HJAB O=C(c1ccncc1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 72359516 KBIKXDLYZPOANX-UHFFFAOYSA-N 412.415 4.577 0 40 HJAB O=C(CC1CCCC1)N1CCC[C@@H]1c1ccnc(Nc2cc(C(F)(F)F)ccn2)n1 72377973 AEYOIUOWPLQRPI-QGZVFWFLSA-N 419.451 4.878 0 40 HJAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 72379251 OIOBLAYTXIFWRM-HXUWFJFHSA-N 420.532 4.869 0 40 HJAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@H]1CC(=O)N1CCC[C@@H]1C1CCCC1 89800387 IHAMICQVNZUZEK-WBVHZDCISA-N 412.477 4.690 0 40 HJAB O=c1ccnc2sc(N[C@H]3CCCCC[C@H]3c3ccccc3C(F)(F)F)nn12 95458753 YNNMUVBPPDIKSY-ZFWWWQNUSA-N 408.449 4.698 0 40 HJAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccccc2)C12CCCC2 96344414 JBSAHLLBOITWJW-HSZRJFAPSA-N 404.554 4.554 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 100984831 LWGQZJYYCUEDKM-DSITVLBTSA-N 420.468 4.891 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 103284682 GYVCNUQHCIVRGB-AJHHTPGJSA-N 420.347 4.519 0 40 HJAB COc1cc(CNC(=O)c2cccc(OCc3ccccc3)c2)ccc1OC(C)C 218977427 YRBZPHTXNMVOHC-UHFFFAOYSA-N 405.494 4.991 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 223192093 ZAKZIGYSSCGUHG-IBGZPJMESA-N 414.977 4.833 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 223253035 RKFABCNEABALEC-QHCPKHFHSA-N 408.586 4.958 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 224223800 IYCOMWXAICJKML-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB CCc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 225338590 DMZHGVPMWGWIJY-QNGOZBTKSA-N 406.507 4.729 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1 225353020 DRCLZOGCLGNQCO-DEOSSOPVSA-N 406.570 4.528 0 40 HJAB O=C(COc1cccc2c1CCCC2)Nc1ccccc1C(=O)NCc1ccccc1 225357505 QDSODLNQHUZZEO-UHFFFAOYSA-N 414.505 4.513 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 225536295 NRTRSBQYOQEMDR-KRWDZBQOSA-N 418.990 4.764 0 40 HJAB CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 257238229 HKBITSVJGHKIFI-RDPSFJRHSA-N 418.581 4.687 0 40 HJAB COc1ccc(CN2CCc3nc([C@@H]4CCCN4C4CCCCC4)ccc3C2=O)cc1 257300074 RSTXXFHOILXQMT-VWLOTQADSA-N 419.569 4.758 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1C1CCCC1 260927164 YOZYDRGELFCJFP-UEVCKROQSA-N 424.614 4.767 0 40 HJAB O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)N1 409040675 HMEVUZIXKMCRJM-VCHYOVAHSA-N 413.260 4.906 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(OC)c3)[C@](O)(C(F)(F)F)[C@@H]2C1 409366121 YXESSMWWTOFKLA-AKCHCHLHSA-N 412.452 4.610 0 40 HJAB CCOc1ccc(OC(C)(C)C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc1 516524358 AKBXPXPVOXNGGJ-UHFFFAOYSA-N 421.541 4.724 0 40 HJAB CC(C)c1noc2ncc(C(=O)N3CCC(c4c[nH]c5ccc(F)cc45)CC3)cc12 583863566 PYLJQICHEAYMEH-UHFFFAOYSA-N 406.461 4.986 0 40 HJAB CC(=O)Nc1ccc(CN2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)cc1 585262709 VIKFFIYBYXUGFH-UHFFFAOYSA-N 421.570 4.928 0 40 HJAB Cc1cccc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3)nc(C)n2)n1 585292256 KCIYHXVEOWVKNU-FRFYRWIFSA-N 413.525 4.999 0 40 HJAB COc1ccccc1OCc1cc([C@@H]2CCN(Cc3cccc(OC(C)C)c3)C2)n[nH]1 607854675 IJWCHRWXVLOVFM-HXUWFJFHSA-N 421.541 4.774 0 40 HJAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccccc1Cl 860562 VMFJADCMPSBSSX-UHFFFAOYSA-N 421.913 4.714 0 40 HJAB COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2cc(C)ccc2C)c1C 868926 SKOUCAATDSFNRH-UHFFFAOYSA-N 412.467 4.558 0 40 HJAB O=C(O)COc1ccc2ccccc2c1-c1c(OCC(=O)O)ccc2ccccc12 946857 OZGFLBCWIQDWLO-UHFFFAOYSA-N 402.402 4.587 0 40 HJAB CC[C@@H]1Oc2ccc(C(=O)n3nc(C)cc3C)cc2N(Cc2ccccc2Cl)C1=O 1328659 PRWQEBYOKVNBBN-FQEVSTJZSA-N 423.900 4.546 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1C 1346307 QIBREVHSYLHZCG-UHFFFAOYSA-N 417.538 4.726 0 40 HJAB CCCC(=O)N1CCc2cc(-c3csc(NC(=O)COc4ccccc4)n3)ccc21 1365729 WDYNIEZGKMVTID-UHFFFAOYSA-N 421.522 4.517 0 40 HJAB CCCOC(=O)c1ccc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)cc1 2119546 FLOZBOFIMZBDJE-UHFFFAOYSA-N 407.466 4.642 0 40 HJAB biogenic O=C(Nc1cccc(Br)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 2648652 KZTGHNBXSURTGL-AWEZNQCLSA-N 421.722 4.593 0 40 HJAB O=C(N[C@H]1CCSC1=O)c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)nc1 3104788 HKSWNGUOFLXEJN-LBPRGKRZSA-N 417.701 4.596 0 40 HJAB CCC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 3362925 GEVWYLTZFRMNJJ-UHFFFAOYSA-N 410.495 4.737 0 40 HJAB O=C1[C@H]([C@@H](O)c2c(Cl)cccc2Cl)C(C(F)(F)F)=NN1c1ccccc1 3848971 FFQYGZXPGZSGTG-KGLIPLIRSA-N 403.187 4.608 0 40 HJAB biogenic Cc1nnc(NC(=O)CSc2cn(Cc3cccc(F)c3)c3ccccc23)s1 4059670 CJPGBAADCKQMHP-UHFFFAOYSA-N 412.515 4.719 0 40 HJAB Cc1ccc(C(=O)c2c(NC(=O)CN3CCCC[C@H]3C)sc3c2CCCC3)cc1 4847599 DCPMZSRCZRKYDE-QGZVFWFLSA-N 410.583 4.979 0 40 HJAB Cc1ccc(C)c(Cn2c(=O)n(CCc3ccccc3)c(=O)c3c(C)c(C)sc32)c1 4882612 AJXGSRGPEBTAQT-UHFFFAOYSA-N 418.562 4.749 0 40 HJAB O=C(O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2cccc(F)c2)cc1 4928682 UEUISRCESMBVCV-JOCHJYFZSA-N 413.408 4.664 0 40 HJAB CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1cccc(Cl)c1 5533125 NSZJNCVFLPUVHM-UHFFFAOYSA-N 417.918 4.611 0 40 HJAB Cc1cc(OCc2ccc(-c3nc4c5cn[nH]c5ncn4n3)cc2)cc(C)c1Cl 6412757 XJFCTOORLXUQAT-UHFFFAOYSA-N 404.861 4.517 0 40 HJAB Cc1oc2cc3oc(=O)c(CCC(=O)NCCc4ccsc4)c(C)c3cc2c1C 6624066 VJPKVNXKPMQSDA-UHFFFAOYSA-N 409.507 4.817 0 40 HJAB biogenic C[C@@H](Sc1ncccn1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 6913145 GAANEBQMOVUDEK-DYVFJYSZSA-N 412.902 4.582 0 40 HJAB O=C(c1cccs1)N(CCCn1ccnc1)c1nc2c(Cl)cccc2s1 7424456 ICOAJPGIJNOEJK-UHFFFAOYSA-N 402.932 4.945 0 40 HJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N[C@H](c1ccccc1)c1cccs1 7733522 WPZYJIDYHOFAKR-LJQANCHMSA-N 406.536 4.531 0 40 HJAB O=C(N[C@@H]1CCSc2ccccc21)c1cn(-c2ccccc2)nc1-c1cccnc1 7988981 ZDUQOCRWEMNZTJ-OAQYLSRUSA-N 412.518 4.901 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cc1 8341075 AQHIEDVFZLKISO-OAQYLSRUSA-N 424.932 4.995 0 40 HJAB NC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)CCC2)c1cccc(Oc2ccccc2)c1 8378276 FQTHJSUXAPFPMM-HSZRJFAPSA-N 415.493 4.706 0 40 HJAB COCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1cccs1 9060236 IPZAUNFZALSZLG-UHFFFAOYSA-N 408.527 4.999 0 40 HJAB Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)NCc2ccccc2)c1 9250138 KTFRNFQYVZYMMZ-UHFFFAOYSA-N 419.550 4.668 0 40 HJAB CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCc1ccccc1Cl 9582495 LFLRKXSDDTXQEY-UHFFFAOYSA-N 400.935 4.733 0 40 HJAB COc1ccccc1-c1nnc(SCc2cscn2)n1CCc1ccccc1 9606494 JWZARPPEVRPLOC-UHFFFAOYSA-N 408.552 4.945 0 40 HJAB COc1ccccc1[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccccc2C)c2ncnn21 10060397 AEDQBAXMGQOVCJ-GOTSBHOMSA-N 424.504 4.976 0 40 HJAB COc1cc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc(OC)c1OC 10120149 LJZYWIMOKLQZNC-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(=O)n(Cc2ccc(F)cc2)c1 10187846 JPCHIIFQXYTWOO-UHFFFAOYSA-N 424.781 4.960 0 40 HJAB COc1ccc2c(c1)NC1(CCN(CCCOc3ccccc3)CC1)c1cccn1-2 12113298 OYVRMXCXMMOIKM-UHFFFAOYSA-N 403.526 4.672 0 40 HJAB COC(=O)c1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1 12616706 ZECOPPYURWGNQW-IZZDOVSWSA-N 412.898 4.826 0 40 HJAB CCc1ccc([C@@H](C)NC(=O)c2oc3ccccc3c2CSc2ncn[nH]2)cc1 12776344 DONCLAQJEVIQSF-CQSZACIVSA-N 406.511 4.897 0 40 HJAB CCc1ccccc1N1C[C@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1=O 12940239 AMANTWPGRUPWPL-YLJYHZDGSA-N 419.550 4.575 0 40 HJAB CCn1c(SCC(=O)c2cc(C)n(-c3nccs3)c2C)nnc1-c1ccccc1 13018535 NYXNDRGTYAZVIM-UHFFFAOYSA-N 423.567 4.804 0 40 HJAB C[C@@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)N(C)c1ccccc1 13164443 ABNQJCMTAHXRKF-GFCCVEGCSA-N 418.316 4.643 0 40 HJAB Cc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1Cc1c(F)cccc1Cl 13607303 GDKDKVQKISDFPH-UHFFFAOYSA-N 421.906 4.780 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C)c1-c1csc(Cc2ccc(OC)c(OC)c2)n1 23624761 CETJFJZBXGWXAI-UHFFFAOYSA-N 400.500 4.540 0 40 HJAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)C1 30871770 FNRDRWJYHHWXPD-SZPZYZBQSA-N 419.613 4.737 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 38753367 WHSXSDIWMVDAFJ-SFHVURJKSA-N 408.523 4.595 0 40 HJAB O=C(Nc1ccccc1F)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 38771153 LRWQDRVAXRUTNK-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB Cc1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc1NC(=O)c1ccccc1 40086834 QCVKGJOVKJYLDS-UHFFFAOYSA-N 408.461 4.957 0 40 HJAB Cc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC(=O)N4)o2)cc1Cl 40143027 LQDVAGGHXDPNPJ-UHFFFAOYSA-N 410.857 4.957 0 40 HJAB C[C@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)CN1CCCCC1 40157746 AWBWWZPWAXJLJR-GOSISDBHSA-N 421.516 5.000 0 40 HJAB CCC[C@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 44334539 DZBLNYYBCQNHBN-QHCPKHFHSA-N 407.535 4.932 0 40 HJAB CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 44803636 TWDQTYKYGMXNMH-HNNXBMFYSA-N 410.905 4.537 0 40 HJAB Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 44900327 OMLBBSOOPPAZOV-UHFFFAOYSA-N 408.523 4.594 0 40 HJAB C[C@H](OC(=O)c1[nH]c2ccccc2c1Cl)C(=O)N1CCC[C@@H]1c1cccs1 46350950 YHPTVFCYGXTORX-SWLSCSKDSA-N 402.903 4.792 0 40 HJAB CCCCn1c(SCC(=O)Nc2cccc(CC)c2)nc2ccsc2c1=O 57426391 KHYTWGQPUHZBJB-UHFFFAOYSA-N 401.557 4.551 0 40 HJAB COc1cc(CN(C)C(=O)[C@@H](C)Oc2ccc(Br)cc2)ccc1SC 58218018 PSWUZGHCFNQJEJ-CYBMUJFWSA-N 424.360 4.606 0 40 HJAB CCCOc1cccc(C(=O)Nc2cc(C)c(I)c(C)c2)c1 59294497 UPZNVVUWSAKFQP-UHFFFAOYSA-N 409.267 4.949 0 40 HJAB O=S(=O)(Nc1ccc2nc(SCc3ccccn3)sc2c1)c1ccccc1 59417576 ZUULVKDMYOPMCK-UHFFFAOYSA-N 413.549 4.784 0 40 HJAB Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2cc(Cl)ccc2C)c1 67246382 AQRJXQFLZVNEES-UHFFFAOYSA-N 410.905 4.513 0 40 HJAB COc1ccc(OC)c(-n2c(SCc3ccccc3)nc3ccccc3c2=O)c1 67258934 PKJLPWLGQLMVSF-UHFFFAOYSA-N 404.491 4.695 0 40 HJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2C(=O)c2ccc(F)cc2)n1 72376812 ZYFGZRCTBCEZQT-LJQANCHMSA-N 410.880 4.886 0 40 HJAB CN(C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)c1ccc(Oc2ccccc2)cc1 78883538 VMICYZRXBOWZSZ-UHFFFAOYSA-N 416.477 4.599 0 40 HJAB COc1ccccc1OC[C@@H](O)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 82086508 TYYQYKFRLBNZDO-IBGZPJMESA-N 422.912 4.729 0 40 HJAB CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)Cc1c[nH]c2ncccc12 96012099 YMEWUHBLBOOWJX-HXUWFJFHSA-N 402.542 4.854 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](O)([C@H](C)OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 118928455 RHKDPTWPOLFLCS-RQHCHKDDSA-N 418.574 4.564 0 40 HJAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)OC[C@H]3CCCCO3)[C@@H]2c2cccs2)cc1 195531013 SXVNDXPNDWOTIV-WOIUINJBSA-N 413.539 4.653 0 40 HJAB O=C1OC2(CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)c2ccccc21 207984817 NYPFCXAKNHFWQB-UHFFFAOYSA-N 412.489 4.647 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1 222478722 HYYKLCRKGFRPBM-OAQYLSRUSA-N 414.549 4.680 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCSc1ccccc1 223089161 WSUIMXCQNSUMFZ-ZWKOTPCHSA-N 416.562 4.640 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1C1CCCCC1 223089752 LNQAZSACRSGDRL-GOTSBHOMSA-N 417.582 4.632 0 40 HJAB CC1(C)CCc2cc(S(=O)(=O)NCc3ccc(Cl)cc3Cl)ccc2O1 223704609 BRZVYPSLNYWZDM-UHFFFAOYSA-N 400.327 4.576 0 40 HJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)c1 225289609 VCIXIAYIGXCGDG-HNNXBMFYSA-N 413.905 4.906 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 225543701 TXOKWPJOQZXWTO-XUZZJYLKSA-N 424.585 4.713 0 40 HJAB O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1cc(-c2ccc(F)cc2)on1 225900746 SIBUMCVKWZSBBO-UHFFFAOYSA-N 424.863 4.914 0 40 HJAB Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@H](C)C5=C[C@H]43)C[C@@H]2C)c1 248121602 SAOYGWVUOAMNQH-MAUBJLKMSA-N 422.613 4.820 0 40 HJAB Cc1cccnc1Nc1ccc([C@H]2CN(Cc3ccc4ncccc4c3)CCO2)nc1 257205870 BAXKQJMTAQPHDN-XMMPIXPASA-N 411.509 4.650 0 40 HJAB Cc1cc(-c2cncnc2[C@H]2CC[C@H](CNC(=O)[C@H](C)c3ccccc3)CC2)on1 257338436 YXKAEKNTZIDEGS-QWFCFKBJSA-N 404.514 4.634 0 40 HJAB Cc1cccnc1Nc1ccc([C@@H]2CN(CCCOc3ccc(F)cc3)CCO2)nc1 257341055 ZIRFVUGMWUPUHT-QHCPKHFHSA-N 422.504 4.510 0 40 HJAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2F)cc1 408674677 BFDIRLBSTHTJHX-UHFFFAOYSA-N 402.425 4.966 0 40 HJAB COc1ccc2[nH]c(-c3ccccc3)c(/C=c3/sc4nc5ccccc5n4c3=O)c2c1 408785531 GWYYKAZZJASAPP-HYARGMPZSA-N 423.497 4.614 0 40 HJAB CC(C)[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)no1 526052477 SKCPJMDYXXUNSH-GOSISDBHSA-N 420.296 4.936 0 40 HJAB O=C(NC[C@@H](O)c1csc2ccccc12)C1c2ccccc2Oc2ccccc21 585147984 BOGPZBHERYJZPG-LJQANCHMSA-N 401.487 4.989 0 40 HJAB CC(C)Oc1ccc([C@H](CNc2nc(-c3cccnc3)nc3c2CCC3)N(C)C)cc1 1559203118 JEFDEWJDPWGVET-QHCPKHFHSA-N 417.557 4.529 0 40 HJAB CC(C)C[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Br)cc1Br 2065858 BLHDLBZVGKBGJM-MNOVXSKESA-N 407.146 4.530 0 40 HJAB O=C(NCc1ccc(F)cc1)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 2474766 HSFCFYUEVFVHPG-GDBMZVCRSA-N 424.423 4.674 0 40 HJAB O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1ccc(Cl)cc1Cl 2514752 IFUVSYOGLPWNGE-UHFFFAOYSA-N 406.309 4.563 0 40 HJAB CC1(C)[C@@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1C1CCCC1 4728708 KVYGRSSNIBUFQH-HXUWFJFHSA-N 408.502 4.899 0 40 HJAB O=c1c2ccccc2n2c(SCc3cccc(F)c3)nnc2n1Cc1ccccc1 5362785 QWSAGCDBTOXEQE-UHFFFAOYSA-N 416.481 4.524 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccccc1N1CCCC1 6605831 YZORJQIFNVZUQD-UHFFFAOYSA-N 408.527 4.831 0 40 HJAB COc1ccc(C2=NN(C(=O)CNc3cc(F)ccc3C)[C@@H](c3ccco3)C2)cc1 7972799 CBHJZEAMBFVLOE-OAQYLSRUSA-N 407.445 4.526 0 40 HJAB COc1ccc2c(CC(=O)N[C@H](c3ccc4c(c3)OCCCO4)C(C)C)coc2c1 8315409 AMYQJJBAOBRRRV-DEOSSOPVSA-N 409.482 4.659 0 40 HJAB COc1ccccc1[C@@H](C)NC(=O)COc1c(C)cc(Br)cc1Cl 8704537 HJBNTBKUKOTIRD-GFCCVEGCSA-N 412.711 4.676 0 40 HJAB CN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(OCc2ccccc2)c1 8845494 BQXIFBFXVCRHOF-XMMPIXPASA-N 411.461 4.536 0 40 HJAB CC(C)CN1C(=O)CCc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21 9137749 VOOVMVHLHOVOBA-UHFFFAOYSA-N 421.324 4.946 0 40 HJAB COc1ccc(C(C)=O)cc1CSc1nc(NC[C@H]2CCCO2)c2ccccc2n1 9474914 MSSNNVQAZWOBAF-GOSISDBHSA-N 423.538 4.724 0 40 HJAB CCc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(OC)c(OC)c2)CC3=O)cc1 9935770 SXFVDBFXDGASHT-QGZVFWFLSA-N 403.482 4.713 0 40 HJAB CC1=CC(C)(C)N(C(=O)CSc2nnc(-c3cccnc3)o2)c2cc(C)ccc21 10157746 DUWGQFXISWYNNT-UHFFFAOYSA-N 406.511 4.761 0 40 HJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc(N2CCCCCC2)cc1 12568389 PDZYLGWHCPNYQX-UHFFFAOYSA-N 407.543 4.583 0 40 HJAB COc1cccc(CC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c1 12741957 YLPFACLZWBYXMH-UHFFFAOYSA-N 406.429 4.943 0 40 HJAB COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@@H](C)C(C)=O)cc1Cl 13101649 FOQMOQOFJUGZKE-SEJMYLSOSA-N 420.943 4.865 0 40 HJAB CCCCN1C[C@H](c2nc3ccccc3n2CCOc2c(C)cccc2C)CC1=O 14095530 JEKAYNLGBRLTOX-HXUWFJFHSA-N 405.542 4.848 0 40 HJAB C/C=C/c1ccc(OCC(=O)N[C@H](C)c2ccc(Br)cc2)c(OC)c1 14116749 AVRMISWTZMGENQ-ISZGNANSSA-N 404.304 4.747 0 40 HJAB Cc1cc(COC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)no1 14155514 TUWTWFLDIFPOSO-UHFFFAOYSA-N 424.460 4.800 0 40 HJAB O=C(c1ccc(C2SCCS2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 14241206 JTQRFKHXFJDMMP-QPJJXVBHSA-N 410.608 4.636 0 40 HJAB COP(=O)(OC)c1nc(Cc2cccc3ccccc23)oc1NCc1ccco1 16752744 DLRPFLCKXMERPZ-UHFFFAOYSA-N 412.382 4.735 0 40 HJAB COc1ccccc1NC(=O)CSc1ncc(-c2cccc(Br)c2)o1 16841108 LHJWUQDMHZIDEK-UHFFFAOYSA-N 419.300 4.844 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 17091287 IFAXVBCCVJYTEZ-UHFFFAOYSA-N 417.962 4.712 0 40 HJAB O=C(C1CC1)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19294041 PLNOMFDEEVLTFL-NRFANRHFSA-N 417.488 4.885 0 40 HJAB COc1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)ccc1O 19550068 MGNDMDWSGXFISA-LJQANCHMSA-N 422.481 4.902 0 40 HJAB COc1cccc(CN[C@H](Cc2cc(N(C)C)nc(C3CC3)n2)c2ccccc2)c1 19584274 SHSBWCGWVJZANV-HSZRJFAPSA-N 402.542 4.502 0 40 HJAB COc1ccc(CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 21004191 MPQFXJAEVRIPIR-UHFFFAOYSA-N 414.549 4.562 0 40 HJAB CCN(C(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC)c1ccccc1 23582257 VIGHUYUCTGWVFN-UHFFFAOYSA-N 400.935 4.764 0 40 HJAB O=C(c1ccc2ncsc2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23967982 MEKPHJIUBOPEED-UHFFFAOYSA-N 413.546 4.844 0 40 HJAB Cc1ccc2c(C)c(C(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)oc2c1 28288029 WERYZPMMIBLIOF-FQEVSTJZSA-N 412.917 4.506 0 40 HJAB O=C(CN1CC=C(c2ccccc2)CC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 30630654 JLSUJAHXVJMUQQ-OAQYLSRUSA-N 417.534 4.808 0 40 HJAB Cc1ccsc1C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 32809383 TYVBVHLVFXXGMZ-UHFFFAOYSA-N 406.916 4.763 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(-c3nc(C4CC4)no3)c2)nc2ccccc21 40155246 JGFRNMCHPFTFII-UHFFFAOYSA-N 419.510 4.714 0 40 HJAB Cc1cc(NC(=O)CSCC(=O)N(C2CC2)[C@@H](C)c2cccc3ccccc23)no1 48303566 CYWGMXJNRBVSJJ-INIZCTEOSA-N 423.538 4.560 0 40 HJAB COC(=O)c1c(NCc2ccccc2C(F)(F)F)c2cccc(Cl)c2[nH]c1=O 49001615 YGZWDNBGYKUZAG-UHFFFAOYSA-N 410.779 4.599 0 40 HJAB Cc1ccc(-c2nc(C(=O)N[C@H](C)c3nc(-c4ccc(F)cc4)no3)cs2)cc1 58167416 NVVVCVADNRGRPU-CYBMUJFWSA-N 408.458 4.799 0 40 HJAB CCCN(Cc1cc(=O)n2c(C)csc2n1)[C@@H](C)c1ccccc1Br 59121778 GUCXDNHPDUMHNL-AWEZNQCLSA-N 420.376 4.800 0 40 HJAB COc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2cccc(C)c2)no1 64579580 MJTFFBKIKWDIRY-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)Nc1cccnc1Cl)C(F)(F)F 72311237 VLOYFNGJSNUWCS-MRXNPFEDSA-N 423.826 4.963 0 40 HJAB Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)c1 72359186 BVKOEJYJJIEQQF-NRFANRHFSA-N 401.510 4.627 0 40 HJAB CCCCCc1sc(NC(=O)c2ccc(C(F)(F)F)nc2C)c(C(N)=O)c1C 79094954 LHILMSDRNZOQSZ-UHFFFAOYSA-N 413.465 4.863 0 40 HJAB Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1ncc(-c2ccccc2)s1)C(F)(F)F 84011928 LVXOZOIMQRDBTC-OAHLLOKOSA-N 409.437 4.586 0 40 HJAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)Nc1ccc4c(c1)OC1(CCCCC1)O4)(C3)C2 100233919 OWHKUDDXJAVMBG-JSODFGIGSA-N 424.541 4.532 0 40 HJAB CCOCCn1/c(=N/C(=O)c2ccc(C(C)(C)C)cc2)sc2cccc(OC)c21 100910508 MDZRDPPVVGOTSQ-GYHWCHFESA-N 412.555 4.787 0 40 HJAB O=S(=O)(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1ccc(Cl)cc1Cl 107864173 KEHIXNOYHZFQGC-VQTJNVASSA-N 422.333 4.747 0 40 HJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 219033968 KKDLSKNDVFVCFB-AWEZNQCLSA-N 407.857 4.627 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 222948958 SUHPYSGAWWHMCK-FQEVSTJZSA-N 412.599 4.562 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 223371505 REOPRTMCGJKUNR-FQEVSTJZSA-N 421.368 4.706 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCC3=CCCCC3)ccc2C)c1 223951809 CQMSYDGZFBPSSA-UHFFFAOYSA-N 412.555 4.643 0 40 HJAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)c1 224527256 CDVHYSYZXGMLIU-NHCUHLMSSA-N 406.555 4.824 0 40 HJAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(OC(F)(F)F)cc1 224875876 DJYGZCRNWUWSOF-UHFFFAOYSA-N 400.205 4.834 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 225512049 RRWCUDYRCZZSDG-ZJSXRUAMSA-N 424.585 4.876 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 225524922 KMNLIPNMGLFBPR-NZQKXSOJSA-N 424.585 4.713 0 40 HJAB CC[C@@H](NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1)c1ccc(OC)c(OC)c1 225719880 RADGAIPDPKTADM-MRXNPFEDSA-N 422.934 4.582 0 40 HJAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(-c2ccc(C(=O)O)o2)c(Cl)c1 226355352 FWXMPYGKXNUEKM-UHFFFAOYSA-N 414.870 4.733 0 40 HJAB CNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2ccccc2)CC1 257218279 DCMZCFDCIQZEFM-UHFFFAOYSA-N 418.562 4.626 0 40 HJAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)cc1Cc1c(C)n[nH]c1C 257285601 PHXQQOUVIGHGQZ-RWEKXLEMSA-N 410.558 4.501 0 40 HJAB Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 260752912 AINGBCIQLFNDAV-PUCZYUMASA-N 419.506 4.938 0 40 HJAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1 408561298 HLKVNXUTEWUQRI-UHFFFAOYSA-N 403.548 4.793 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 408671842 LNJWLEAQFHWGMC-MJXNMMHHSA-N 410.901 4.826 0 40 HJAB CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)N(C)C1=S 409038799 PLRYDNKKSYQCCA-YBEGLDIGSA-N 407.322 4.602 0 40 HJAB O=Cc1ccc(C(=O)OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 409180988 XHVRGHJUXQWKCG-UHFFFAOYSA-N 417.505 4.762 0 40 HJAB C[C@H](CCc1ccccc1)NC(=O)CC1(N2Cc3ccccc3C2=O)CCCCC1 1548347908 DJPZNBJEGZQYMX-HXUWFJFHSA-N 404.554 4.873 0 40 HJAB COCCOC(=O)N1CCC([C@@H]2CCCCN2Cc2ccc3ccccc3c2)CC1 2056226648 WSMYEIICUQIGQA-DEOSSOPVSA-N 410.558 4.689 0 40 HJAB COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 727727 QECJOAHCFFMVCW-SECBINFHSA-N 402.661 4.839 0 40 HJAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NCCc1ccccc1 948784 NUAXCVLLEYSHBV-UHFFFAOYSA-N 405.548 4.809 0 40 HJAB O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1Cc1ccco1 953976 BRQACAIKZKODJF-OAQYLSRUSA-N 407.520 4.968 0 40 HJAB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NC4CCCCCC4)c3n2)cc1 1003087 IGOYLOQEVKETAS-UHFFFAOYSA-N 414.456 4.795 0 40 HJAB COc1nc(-c2ccccc2)nc(Cl)c1NC(=O)c1ccc(Br)cc1 1454874 QQFLSTWUGACHJP-UHFFFAOYSA-N 418.678 4.820 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(c1nccs1)C3=O 2406344 JUIDNJZITQHRNZ-QGZVFWFLSA-N 408.866 4.961 0 40 HJAB CC(C)(C)N[C@@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 3195645 FSOPIZNZNBUECL-RTWAWAEBSA-N 414.958 4.956 0 40 HJAB Cn1c(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nc2ccccc21 3270114 JLGDDUMMHYXAIM-UHFFFAOYSA-N 404.520 4.831 0 40 HJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 3542389 OXJAJWMYNWPXBW-SOLBZPMBSA-N 410.543 4.560 0 40 HJAB COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(C)c(C)c2)cc1 4518168 WSAORRIIJUVDRT-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 4585824 RTTZHPSIFZGGIE-UHFFFAOYSA-N 406.463 4.541 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 4704855 ZGBLWNFWYHXYPM-UHFFFAOYSA-N 410.823 4.850 0 40 HJAB CC(C)c1ccc(NC(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)cc1 5307956 MHZUFFNLSMMYCF-UHFFFAOYSA-N 403.526 4.965 0 40 HJAB CCn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1cccs1 5471255 VDBFYSLNZPHIOQ-GOSISDBHSA-N 412.584 4.872 0 40 HJAB COc1ccc(N(C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 5794645 RDPQROXJNGHCFZ-UHFFFAOYSA-N 415.898 4.693 0 40 HJAB COc1ccc(C(C)=O)cc1CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 6589371 AYWDBSHBYORQPY-UHFFFAOYSA-N 409.507 4.602 0 40 HJAB CCc1ccccc1OCC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(C)C 6788769 RKPXQWPTYAALNG-UHFFFAOYSA-N 413.905 4.768 0 40 HJAB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)c1 6967209 XCVOFAHZZIDEOD-LPYMAVHISA-N 403.457 4.635 0 40 HJAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cc(Br)ccc1F 7448531 WIRGUEXFDSEQTN-UHFFFAOYSA-N 405.311 4.504 0 40 HJAB CCn1c(SCC(=O)c2cc(C)n(CCc3ccccc3)c2C)nnc1C1CC1 7618307 ACOXCECBINNHTN-UHFFFAOYSA-N 408.571 4.811 0 40 HJAB Cc1ccc(NC(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)c(F)c1 7671936 BMJLJGVJSKJUOG-UHFFFAOYSA-N 413.499 4.581 0 40 HJAB Cc1ccc(CN(C)C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)o1 7772275 VUTQCOXVTIQAAD-UHFFFAOYSA-N 403.507 4.949 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1S(=O)(=O)N1CCCCCC1 7881136 REKXLHWGQUMGPN-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB COc1ccc2nc(SCC(=O)N[C@H](c3ccccc3)c3cccs3)[nH]c2c1 8216153 AMENCNKXAGNWSL-HXUWFJFHSA-N 409.536 4.631 0 40 HJAB O=C(NCCSCc1ccccc1)c1ccccc1OCc1cn2ccccc2n1 8279872 IUGMQENKONDTPX-UHFFFAOYSA-N 417.534 4.577 0 40 HJAB C[C@@H](Sc1nc(C2CCCCC2)n(-c2ccccc2)n1)C(=O)NCc1ccco1 8391324 YYVITZSJEFTAFC-MRXNPFEDSA-N 410.543 4.705 0 40 HJAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2OC)cc1 8769047 AIXBZRZVIDMNTE-UHFFFAOYSA-N 401.418 4.933 0 40 HJAB biogenic O=C(CSCc1ccc(Cl)cc1Cl)Nc1cc(O)n(-c2ccccc2)n1 8906514 NRTPATUQVGNSNH-UHFFFAOYSA-N 408.310 4.757 0 40 HJAB COc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)cc1 8916617 HSRJNVXXMCPMII-IBGZPJMESA-N 424.324 4.589 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2nn(CC(C)C)c3nc4ccccc4cc23)c1 9319097 RDWWDISNPAZFPW-UHFFFAOYSA-N 404.470 4.510 0 40 HJAB COc1ccc(CCN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc23)cc1OC 9355389 QSTQEOWCNNQEHJ-VWLOTQADSA-N 412.489 4.973 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)c(C)c1 9517631 FTYZSACACPCIAX-UHFFFAOYSA-N 421.501 4.611 0 40 HJAB Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4cc(Cl)ccc4C)c3C)ns2)cc1 9638333 SHKWOINDWXQDSQ-UHFFFAOYSA-N 424.917 4.617 0 40 HJAB CSCC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 12542759 IFBOYAFSTRYIPG-UGSOOPFHSA-N 403.935 4.594 0 40 HJAB CCCCCSc1nc2ccccc2n1CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 12549970 XZKWVTKHBILPPM-UHFFFAOYSA-N 424.570 4.766 0 40 HJAB Cc1ccc(Sc2ccc(NC(=O)Cn3ncc4ccccc4c3=O)cc2)c(C)c1 12986688 SGNVORCJRNQSNV-UHFFFAOYSA-N 415.518 4.803 0 40 HJAB COc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)s2)c1 13140214 VCCIDSYUZMAVTC-UMPJEAMMSA-N 420.604 4.712 0 40 HJAB O=C(c1nc(Cl)ccc1Cl)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 14499234 JMDKODPPSOREDF-NSHDSACASA-N 408.310 4.824 0 40 HJAB Cc1cc(C)cc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 15881600 NSAGBQCXXZQYGP-IBGZPJMESA-N 420.962 4.529 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3C)c2)cc1 15992713 YYXDEOMPINLPKH-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CN(Cc1ccc(Br)s1)C(=O)c1cc(F)ccc1Br 18108167 LTXXAXGJUHSFRE-UHFFFAOYSA-N 407.102 4.684 0 40 HJAB O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(Cl)cc3)CC[C@@H]21 19334336 XJAJYJRANRJRSO-ACRUOGEOSA-N 400.975 4.628 0 40 HJAB CCOC(=O)C1=C(C)Nc2c(-c3ccccc3)c(C)nn2[C@H]1c1ccc(OC)cc1 20674239 FZIQMWOMWIRVIW-QFIPXVFZSA-N 403.482 4.719 0 40 HJAB CSc1ccc(Cl)c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 21834189 HFWPLDYJSSWVIZ-UHFFFAOYSA-N 419.959 4.761 0 40 HJAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccc(Cl)cc1 21913349 ABTRSNGWZCEERT-KXBFYZLASA-N 412.942 4.620 0 40 HJAB CCCc1ccc(-c2nc(NC(=O)c3ccc(-n4ccnc4)nc3)sc2C)cc1 23184907 JYHJGFFRABTUCU-UHFFFAOYSA-N 403.511 4.904 0 40 HJAB Cc1ccc2nc(COc3ccc(C(=O)N4CC[C@H]5CCCC[C@@H]5C4)cc3)cn2c1 23233246 ZNKUVEYZUAZQOY-TZIWHRDSSA-N 403.526 4.874 0 40 HJAB CC[C@H](Sc1nc(C)c(Cc2ccc(O)cc2)[nH]1)C(=O)N[C@@H](C)c1ccccc1 23279065 XOIGCDYQKRQSOE-BTYIYWSLSA-N 409.555 4.763 0 40 HJAB CC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 24707422 DFEZZKXMXZJWSB-UHFFFAOYSA-N 413.543 4.633 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 26556417 CCIIRQLNJBUTFQ-PKTZIBPZSA-N 422.525 4.570 0 40 HJAB Cc1cc(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c(C)n1C[C@H]1CCCO1 29299959 KQGOXAYUNARVMV-OAHLLOKOSA-N 405.420 4.535 0 40 HJAB CCCCc1ccc2nc(NC(=S)NC(=O)COc3ccccc3C)sc2c1 32119119 SKTDEUSSRFKLKM-UHFFFAOYSA-N 413.568 4.839 0 40 HJAB CCn1nc(CC(=S)Nc2ccccc2)nc1Oc1ccc(Br)cc1 32615252 HISDHWJRWBOTAY-UHFFFAOYSA-N 417.332 4.835 0 40 HJAB COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c1 32713000 ZXEFNCBAIWOTNQ-HNNXBMFYSA-N 422.456 4.586 0 40 HJAB Cc1ccc(NC(=O)CSCc2cc(=O)c3ccc(C)c(C)c3[nH]2)cc1Cl 33064046 QDKTWAPUEKTBAD-UHFFFAOYSA-N 400.931 4.979 0 40 HJAB COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)c(C)c1 36616838 VAGBDPSIXYNDHY-UHFFFAOYSA-N 404.445 4.746 0 40 HJAB O=C(NCCSc1ccc(Cl)cc1)C1CCN(Cc2ccc(F)cc2)CC1 39768381 PNFVDGZXDARZBK-UHFFFAOYSA-N 406.954 4.600 0 40 HJAB COCc1nn2c(ncc3c(=O)n([C@H]4CCCC[C@H]4C)ccc32)c1-c1ccc(F)cc1 40397110 XUWDEYRBQBFSHM-QRWLVFNGSA-N 420.488 4.748 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N(C(C)C)C(C)C)nc2)cc1 72212965 VBRNSTLEVZCAMN-OAQYLSRUSA-N 401.576 4.539 0 40 HJAB NC(=O)Nc1ccc(-c2csc(C3(NC(=O)c4ccccc4)CCCC3)n2)cc1 72312479 UAEDTOGTNXCKPI-UHFFFAOYSA-N 406.511 4.500 0 40 HJAB COc1ccc2c(c1)N[C@]1(COC3(CCN(C[C@@H]4CC=CCC4)CC3)C1)c1cccn1-2 72327228 JVEMOIKCJXZBLI-FQRUVTKNSA-N 419.569 4.718 0 40 HJAB Cc1nc2cc(C(=O)N3CCC[C@H]3c3ccnc(-c4ccc(Cl)cc4)n3)ccc2[nH]1 72355859 IRVPRAQGZVOQFT-NRFANRHFSA-N 417.900 4.959 0 40 HJAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 97117427 OESZVJCUTJOTOW-VXKWHMMOSA-N 408.542 4.529 0 40 HJAB C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)Cc1ccc(Cl)cc1 101157928 XKMRDBZRRMHAJC-FOKLQQMPSA-N 412.704 4.710 0 40 HJAB CCOc1cc2c(cc1OCC)CN(C(=O)C13C[C@H]4C[C@@H](CC(Cl)(C4)C1)C3)CC2 102500849 SGUXSFJCYPLJRN-WADIDORASA-N 417.977 4.947 0 40 HJAB C[C@]12C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1ON(c1ccccc1)[C@H]2c1ccccc1 102701767 JMURSCATIIKWMK-AWRGLXIESA-N 418.880 4.781 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)c1 136694287 QEVSTNOHJKPSRG-HVETUWLQSA-N 418.537 4.989 0 40 HJAB Cn1nc(-c2cccs2)cc1C(=O)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219325323 FNXMQPBYVRAPDQ-GOSISDBHSA-N 419.522 4.747 0 40 HJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1nc(-c2ccc(C)cc2)no1 219341824 HYRRWXWABZNREQ-HXUWFJFHSA-N 401.466 4.672 0 40 HJAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 222757634 WHHXWKPWZAWQMN-MSOLQXFVSA-N 414.328 4.706 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl 223132589 MCTOQXBJFMXKES-IRXDYDNUSA-N 418.940 4.744 0 40 HJAB CCCCNC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccccc3)ccc2s1 223392996 QMRODUQZRBZIPL-UHFFFAOYSA-N 416.568 4.646 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 224195550 XOJIPIKTQSJYNY-DEOSSOPVSA-N 422.569 4.548 0 40 HJAB CCc1cc(Br)cc(CC)c1NC(=O)Cc1ccc(OC)c(OC)c1 226092248 PLPOVKRVGSNPLA-UHFFFAOYSA-N 406.320 4.772 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(-c3ccccc3Br)o2)c(N)c1 226348148 DAJVZUCNAUIYOY-UHFFFAOYSA-N 401.260 4.942 0 40 HJAB Cc1cc(C(F)(F)F)nc(SCc2nc(O)c3c4c(sc3n2)CCCC4)n1 408581519 ISLXRGDORHXLNI-UHFFFAOYSA-N 412.462 4.685 0 40 HJAB O=C(Sc1nnc(-c2ccccc2Cl)o1)c1cc(Br)ccc1O 408585197 CRRGBHHDRHNFFL-UHFFFAOYSA-N 411.664 4.791 0 40 HJAB CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 408922429 ASKPVHYIGHABRL-UHFFFAOYSA-N 423.321 4.551 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 409381206 KSBHBAISSRKGOQ-QHCPKHFHSA-N 422.506 4.705 0 40 HJAB CCOc1cc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)cc(Cl)c1O 1651899437 NFORAEJOSKNOIW-IBGZPJMESA-N 401.890 4.773 0 40 HJAB CSc1ccccc1NC(=O)N1C[C@H]2CCN(Cc3csc(C)n3)CC[C@H]2C1 2056223677 ACXVNILDOQXDJX-CALCHBBNSA-N 416.616 4.549 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2cc(C)c(Cl)c(C)c2)sc(C(C)=O)c1C 718918 DAWWRKHGNDPKAZ-UHFFFAOYSA-N 423.918 4.724 0 40 HJAB COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2ccc(Cl)cc2)c1C 778410 AJYZFKPNKLRJOI-UHFFFAOYSA-N 418.858 4.594 0 40 HJAB COc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(C)cc1 812991 IYHWTACGBRMHKJ-UHFFFAOYSA-N 420.494 4.575 0 40 HJAB Cc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 836531 NCKAGOMPSOHPDI-UHFFFAOYSA-N 407.853 4.940 0 40 HJAB CC(C)(C)[C@@H]1CCc2c(sc3ncnc(SCC(=O)N4CCCCC4)c23)C1 1223122 WXJOACUBKBNLCB-CQSZACIVSA-N 403.617 4.947 0 40 HJAB O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)NCc1cccs1 1342662 YKHBACBQWFAPBQ-UHFFFAOYSA-N 405.548 4.691 0 40 HJAB COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4cccc(Cl)c4)C3)n2)cc1 1362616 PTOVQDMIPATKDU-OAHLLOKOSA-N 412.877 4.810 0 40 HJAB CC[C@H](C)NC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 2264142 VNRHASMMRTWZCE-HNNXBMFYSA-N 401.514 4.808 0 40 HJAB COc1ccc(N(C(=O)C(C(F)(F)F)C(F)(F)F)C2=NCC(C)(C)S2)cc1 2317355 QTRZJADQBOFXJA-UHFFFAOYSA-N 414.371 4.650 0 40 HJAB CCCNC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccc(Cl)cc1 3357669 HSVCVZNHIHQDQN-UHFFFAOYSA-N 400.935 4.514 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1c[nH]c2ccccc12 4138531 YPDFNVTUNOPLIA-UHFFFAOYSA-N 405.527 4.794 0 40 HJAB CCOc1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)cc1OCC 4625985 PRMJFUTZHLBCKO-UHFFFAOYSA-N 422.573 4.932 0 40 HJAB CCOc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl 4698966 RTFQNKZGNRXSGU-CXUHLZMHSA-N 409.244 4.624 0 40 HJAB CCOc1ccc(OCCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 5266976 CPFGETVNLORWMM-UHFFFAOYSA-N 407.495 4.869 0 40 HJAB Cn1c(S[C@@H](C(=O)N2CCCC2)c2ccccc2)nnc1-c1ccc(Cl)cc1 5472120 MVJKWADUFSPNCA-GOSISDBHSA-N 412.946 4.591 0 40 HJAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1-c1ccccc1 6086912 FEPBTEYBUVEGMS-UHFFFAOYSA-N 420.534 4.781 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1C 6270308 QWXLLDJGYDLYGC-UHFFFAOYSA-N 411.552 4.913 0 40 HJAB Cc1c(CCC(=O)Nc2nccs2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 6760735 IGKWRPWGCYHDDO-UHFFFAOYSA-N 408.479 4.754 0 40 HJAB Cc1ccc(Nc2ncnc3sccc23)cc1S(=O)(=O)Nc1ccccc1F 8163185 RYENBLRNRPRODI-UHFFFAOYSA-N 414.487 4.683 0 40 HJAB Cn1ccnc1[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(F)cc1 8215991 GHCMRWROARYPEN-XMMPIXPASA-N 415.468 4.511 0 40 HJAB COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)cc1 8657325 TTWQCNGTGSFJDT-GOSISDBHSA-N 415.468 4.753 0 40 HJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 9460126 AJVHSGDONNJJDC-UHFFFAOYSA-N 417.889 4.594 0 40 HJAB O=c1c(Cl)c(N2CCC(c3nc4ccccc4s3)CC2)cnn1-c1ccccc1 9461271 RWGYHDJVPHTCJT-UHFFFAOYSA-N 422.941 4.880 0 40 HJAB C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc(C(C)(C)C)cc1 10276714 IHTYKKRMUXFVLY-CQSZACIVSA-N 410.377 4.927 0 40 HJAB Cc1cccc(N(Cc2ccc(C(=O)Nc3ccccc3C)cc2)S(C)(=O)=O)c1 10334349 OAKMNHIZUCLISD-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)c1 10433850 FNWYKAPMBSKASC-IBGZPJMESA-N 422.550 4.764 0 40 HJAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)C(C)(C)C)n(Cc2ccccc2)c1C 12321414 ZZKIRNLREGXIBN-UHFFFAOYSA-N 424.566 4.971 0 40 HJAB COc1ccc([C@@H](NC(=O)CCc2ccc(-c3ccccc3)o2)c2nccn2C)cc1 12549992 IQKQSCHCVLBFGD-XMMPIXPASA-N 415.493 4.527 0 40 HJAB O=C(Nc1ccc(NS(=O)(=O)c2ccccc2Cl)c(C(F)(F)F)c1)C1CC1 12583704 XRBFDIBTCQDHLK-UHFFFAOYSA-N 418.824 4.508 0 40 HJAB COC[C@@H](C)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 12609044 LTFKBYPZHOBPRK-SNVBAGLBSA-N 412.342 4.526 0 40 HJAB CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=S)Nc1ccc(OC)cc1 12654261 MPYFVAHMLGKOLI-UHFFFAOYSA-N 402.907 4.618 0 40 HJAB C/C=C/c1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc(OC)c1OC 12784284 VGBYMANHHFJEEN-PDGUBNMISA-N 423.509 4.876 0 40 HJAB CCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)n1 12823676 ZRLWHPDFAOGSKV-HNNXBMFYSA-N 406.511 4.883 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2C)c1 13612439 SDSRXSKVEMUPPW-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB O=c1n(Cc2ccccc2)c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3 13692129 UHUIQNLHKUTKTP-UHFFFAOYSA-N 412.518 4.700 0 40 HJAB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1C 13841877 HMFFKTRSNYRPKZ-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)OCc3ncon3)cc12 14229881 WFSLCOIJGQHXOH-UHFFFAOYSA-N 423.281 4.501 0 40 HJAB CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 14909715 FXZSTBCIAGNPAN-UHFFFAOYSA-N 408.523 4.887 0 40 HJAB NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CCC2 15228682 CBYMNGIUKNFYFI-ACCUITESSA-N 424.859 4.546 0 40 HJAB COc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2cc(C)cc(C)c2)cc1 15413181 DQFKMVUHFHBASP-RUZDIDTESA-N 414.505 4.742 0 40 HJAB CCOc1ccc(OCC)c(NC(=O)CCC(=O)c2ccc(Br)cc2)c1 15542925 RISCLAXBBPQAOQ-UHFFFAOYSA-N 420.303 4.848 0 40 HJAB Cc1ccc2nc(-c3ccc(CNC(=O)c4ccc5c(c4)OCCO5)cc3)oc2c1 16348646 LDTSJSMJLUNJHW-UHFFFAOYSA-N 400.434 4.504 0 40 HJAB CCN1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2Cl)CC1 16681523 PGPNQXLVULQRMV-UHFFFAOYSA-N 424.397 4.866 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3cc(Br)ccc3OC)n2)cc1 17091760 PTVJMXXMXXMAFZ-UHFFFAOYSA-N 419.300 4.842 0 40 HJAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)CCC1CCCC1 19239682 YHXYCCUAKDJLHK-JOCHJYFZSA-N 421.589 4.937 0 40 HJAB Cc1nc([C@H]2CCCN2Cc2ccc(F)cc2)ccc1C(=O)NCc1ccc(F)cc1 19709314 NRQYYAQKVYNRLW-XMMPIXPASA-N 421.491 4.935 0 40 HJAB COc1cccc(C(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 19842697 HCGQGBSUDGSBIO-UHFFFAOYSA-N 402.563 4.778 0 40 HJAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CCCCC2)c(F)c1 21577261 GSUWASNGJBYNDA-UHFFFAOYSA-N 421.925 4.605 0 40 HJAB Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(-c3ccccc3)csc2c1=O 23126451 NWAWQPCDHYRUBS-UHFFFAOYSA-N 409.898 4.726 0 40 HJAB CCCCc1noc(CSc2nc(N)c(-c3ccc(Cl)cc3)c(CC)n2)n1 25589496 OABKDPLZUGHEHW-UHFFFAOYSA-N 403.939 4.960 0 40 HJAB O=C(CSc1ccccc1C(=O)Nc1ccc2c(c1)-c1ccccc1C2)NC1CC1 27759543 RNNCCGCHTZRMIR-UHFFFAOYSA-N 414.530 4.881 0 40 HJAB Cc1ccc(C)c(OCc2ccc(C(=O)Nc3ccc(Br)cn3)o2)c1 27984708 QHVBVQQXTXDBSX-UHFFFAOYSA-N 401.260 4.885 0 40 HJAB CCc1ccc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N(C)C)cc(=O)c2c1 28289823 RCCKUWAXGYQHNX-OAQYLSRUSA-N 420.553 4.686 0 40 HJAB Cc1oc(C)c(C(=O)Nc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1C 30121072 IMGRFZPXTMMSJY-UHFFFAOYSA-N 418.902 4.911 0 40 HJAB O=C(CCc1nnc(-c2ccccc2)o1)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 32747471 HSZAWYBGGJEQAH-UHFFFAOYSA-N 416.408 4.645 0 40 HJAB CC(C)Oc1ccc(-c2noc(CN3C(=O)COc4cc(C(C)(C)C)ccc43)n2)cc1 35462640 UCNLDNOGINGFHP-UHFFFAOYSA-N 421.497 4.747 0 40 HJAB O=C(NCCSCc1ccccc1Cl)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38837426 RLKUDEIDOWBVKO-GOSISDBHSA-N 420.981 4.741 0 40 HJAB O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(/C=C/c3cccc(Cl)c3)c12 40388536 YCJZUEHVFJBPBL-CMDGGOBGSA-N 414.896 4.705 0 40 HJAB Cc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c(Br)c1 43328514 JTXHCNQBVAZYGG-UHFFFAOYSA-N 402.336 4.544 0 40 HJAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1Cl 44939834 KFEOYCLDGTWTLK-INIZCTEOSA-N 418.896 4.507 0 40 HJAB Cc1cc(CCCC(=O)N2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)ccc1F 72375807 FHSRMKWOYPWOEV-OAQYLSRUSA-N 419.504 4.749 0 40 HJAB O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 85342822 VCSAOLLSMSVKSZ-UHFFFAOYSA-N 419.289 4.972 0 40 HJAB O=C(Nc1cccc(CN2CCOCC2)c1)c1c(Cl)nc2ccccc2c1Cl 89866539 DKYAOOXYQKTTEV-UHFFFAOYSA-N 416.308 4.626 0 40 HJAB CCOc1cccc(CNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 216340018 HUOOZSYOAPLYHS-UHFFFAOYSA-N 400.522 4.968 0 40 HJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 223016313 NGFNUVJUFPJMHQ-FOIQADDNSA-N 402.922 4.973 0 40 HJAB CN(c1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1)S(=O)(=O)c1cccs1 224236430 NWMDFQJNWWQDCO-UHFFFAOYSA-N 408.589 4.518 0 40 HJAB CCOc1ccccc1N(CC)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224616400 ADJPZKYNXYSVFR-UHFFFAOYSA-N 404.315 4.616 0 40 HJAB CCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225308262 YWHXALQPSQUMNL-DEOSSOPVSA-N 406.570 4.794 0 40 HJAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225501333 XOFTWFGMANLVMS-NRFANRHFSA-N 411.571 4.896 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 225666810 PQWJTYSHAUGMHH-IERDGZPVSA-N 418.940 4.744 0 40 HJAB CC[C@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(OC)c(OC)c1 225718120 IITAKFRHFGHZPV-HNNXBMFYSA-N 409.349 4.904 0 40 HJAB Cc1cc(CN(C)C(=O)c2ccc3nc(Cl)sc3c2)c(C)n1C[C@@H]1CCCO1 225985508 IYLWULXYPFPCGX-KRWDZBQOSA-N 417.962 4.819 0 40 HJAB CCCCCCOc1ccc(OS(=O)(=O)c2cc(C(=O)O)ccc2Cl)cc1 226860708 SNXUMGAPZKSWOT-UHFFFAOYSA-N 412.891 4.765 0 40 HJAB Cc1nc2ccccn2c1-c1nnc2sc(-c3cccc(Cl)c3Cl)nn12 227142934 PKFUYTNWIUXEQV-UHFFFAOYSA-N 401.282 4.783 0 40 HJAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)o1 257287183 POWBRHZGTWORDK-LJQANCHMSA-N 422.529 4.662 0 40 HJAB O=C(CN1CCCCCC1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257308343 TWJZJBYXBJDIKD-LJQANCHMSA-N 415.965 4.501 0 40 HJAB Cc1csc2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)nc(O)c12 408597015 YLRULHKJDPHFKH-UHFFFAOYSA-N 400.312 4.743 0 40 HJAB CSc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)c1 408623627 PDZGPFZVLJLWER-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB Cc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Cl 408644571 GVIKGNTYJYIRQM-LLVKDONJSA-N 416.688 4.904 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 408907139 LFUDIGIUUWAZRH-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB NC(=O)/C=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 409416228 JVVZGWSYTNZJRL-UTCJRWHESA-N 401.087 4.833 0 40 HJAB CC(C)[C@@H](NCCc1c[nH]c2ccccc12)c1nnnn1C12CC3CC(CC(C3)C1)C2 575443517 BRQCKDJXADEPJO-OIBAJTQMSA-N 418.589 4.609 0 40 HJAB Cc1ccccc1Oc1cc(F)cc(F)c1NC(=O)c1cc(S(C)(=O)=O)oc1C 1618221399 GWTCXTPDDNPXIE-UHFFFAOYSA-N 421.421 4.623 0 40 HJAB O=C(c1nccs1)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 2037846829 YSRANCAVLPKFEA-CQSZACIVSA-N 423.929 4.526 0 40 HJAB CCOC(=O)c1cnn(-c2cc(Oc3ccc(C)cc3)nc(C)n2)c1-c1ccccc1 632680 DSTQFXNXZURETJ-UHFFFAOYSA-N 414.465 4.915 0 40 HJAB O=C(O)CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1 1070997 VIDJILWPKQHREE-HSZRJFAPSA-N 402.425 4.755 0 40 HJAB COc1cccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccc(Cl)cc3)s2)c1 1378977 QQNJHGRGUVDIDQ-UHFFFAOYSA-N 401.875 4.618 0 40 HJAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1 2383530 NGNPRMCWPCMTGR-UHFFFAOYSA-N 408.458 4.622 0 40 HJAB COc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1 2627890 DSWMNZADQRZLSD-LLVKDONJSA-N 423.325 4.702 0 40 HJAB COc1cc(CCC(=O)Nc2ccc3nc(SC)sc3c2)cc(OC)c1OC 3236016 GOASCWRRZOWPFO-UHFFFAOYSA-N 418.540 4.615 0 40 HJAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ncc(Cl)cc1Cl 3255303 OOEPBDXPDDMHLN-UHFFFAOYSA-N 417.248 4.976 0 40 HJAB COc1ccc(-c2cc(C(F)(F)F)nc(NCCc3ccccc3)n2)cc1OC 4757774 NGOBPCKJVHCMIK-UHFFFAOYSA-N 403.404 4.834 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1 5099320 POZJOPNZXIFCPS-UHFFFAOYSA-N 404.466 4.912 0 40 HJAB CC(=O)c1cccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)c1 5291389 HBCGQWSUVWPGFI-UHFFFAOYSA-N 416.477 4.502 0 40 HJAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2ccccc2Cl)n1 6464163 KZDUNKBNEPKNHU-UHFFFAOYSA-N 409.298 4.518 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C 6479512 AUIDBFWLFMMNSG-UHFFFAOYSA-N 412.902 4.921 0 40 HJAB CC(C)Cn1c(=O)c(CCC(=O)Nc2cccc(Cl)c2)nc2cc(Cl)ccc21 6662195 KGFJKSOUEFYZJL-UHFFFAOYSA-N 418.324 4.931 0 40 HJAB CCOc1cc(C(=O)N2CCCC2)cc(Br)c1OCc1ccccc1 6892292 VHWFYQDNFONJOP-UHFFFAOYSA-N 404.304 4.663 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(C3CC3)nc3ccccc23)c1C 7822033 FKOUGHNWJBLPRY-OAHLLOKOSA-N 404.466 4.688 0 40 HJAB CC(C)[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 8002948 PESJAXPKKIRFBL-XMMPIXPASA-N 401.510 4.864 0 40 HJAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)NC(c1ccccc1)c1ccccc1 8132859 YTGVTBKIEZVQLG-IBGZPJMESA-N 413.521 4.520 0 40 HJAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)COc1ccc(-c2nnco2)cc1 8314445 DOFQGRGQFSSKQC-UHFFFAOYSA-N 419.481 4.743 0 40 HJAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8367490 RPDAGHWFMUBQBO-LJQANCHMSA-N 416.550 4.821 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1 8414819 KITATPZOFDVKIU-UHFFFAOYSA-N 416.477 4.622 0 40 HJAB COc1ccc(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)o2)cc1 8633435 HPEPZETTWVKBKI-UHFFFAOYSA-N 400.847 4.741 0 40 HJAB O=C(NCCCNC(=O)c1cccs1)c1ccc(-c2cccc(Cl)c2Cl)o1 9227314 WYIGHNGYHDJJHS-UHFFFAOYSA-N 423.321 4.865 0 40 HJAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2C)C1=O 9234037 HBPMFRYEPCADCX-RBYWHNRPSA-N 424.522 4.847 0 40 HJAB Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1cccnc1)O2 10215172 FZSWFHLKWRHBCI-PGRDOPGGSA-N 405.841 4.706 0 40 HJAB COc1ccc(OC)c(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 10235761 GDWZMSOJPBAYHG-UHFFFAOYSA-N 416.930 4.987 0 40 HJAB CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1 11566015 IYRUNRKFJUBJSM-UHFFFAOYSA-N 424.651 4.885 0 40 HJAB CCCS(=O)(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)c1 12521150 CSZKQLQNPBGRBD-UHFFFAOYSA-N 421.569 4.584 0 40 HJAB Cc1c(NC(=O)C2(c3ccccc3)CC2)cccc1C(=O)N1CCc2sccc2C1 12770742 HTZNKWAJGJSDRB-UHFFFAOYSA-N 416.546 4.925 0 40 HJAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc2c(c1)CCC2 13121073 SOOKATJEANFWFH-CQSZACIVSA-N 424.595 4.873 0 40 HJAB CCc1nc2sc([C@H](c3ccccc3Cl)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 16690096 KMKCQFCXEQKKPF-AHIWAGSCSA-N 404.967 4.780 0 40 HJAB Cc1cccc(-c2noc(CSc3nc4ccsc4c(=O)n3CC(C)C)n2)c1 16843318 DVXJMKBLLOXNMF-UHFFFAOYSA-N 412.540 4.765 0 40 HJAB O=C1OC(c2ccccc2)=N/C1=C1/C=C(c2ccc3c(c2)OCO3)Oc2ccccc21 17836636 RWOAORARPOUTQR-NKFKGCMQSA-N 409.397 4.564 0 40 HJAB biogenic O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 19400635 GVMOOXRARZPCAJ-PXDATVDWSA-N 409.549 4.871 0 40 HJAB COc1ccc([C@H](NC(=O)c2cc(C)oc2CN2CCCC2)c2ccccc2)cc1 19567825 ZGZPFHDLAJWGFM-XMMPIXPASA-N 404.510 4.712 0 40 HJAB CC(=O)Nc1sc2c(c1[C@H](c1ccccc1Cl)N1CCOCC1)CCCC2 20192288 GWIXXGVQBHXXAE-FQEVSTJZSA-N 404.963 4.660 0 40 HJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Br)o1 21580513 CMSWCVRWXDNHKD-UHFFFAOYSA-N 412.243 4.846 0 40 HJAB COc1ccc(/C=C/C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c(OC)c1 24771705 WMRKGCHKLJRTEI-LJTKGQTQSA-N 405.519 4.953 0 40 HJAB CCOc1ccc(OCCC(=O)OCc2cc(=O)oc3cc(C)c(Cl)cc23)cc1 28675751 DJJLGCRHKSKPSG-UHFFFAOYSA-N 416.857 4.666 0 40 HJAB CCOc1cc(C(=O)N(C)[C@@H]2CCc3ccccc32)ccc1OCc1ccncc1 29822361 NHUSDAWGDMSDQB-JOCHJYFZSA-N 402.494 4.819 0 40 HJAB CN(c1ccc(OCc2cc(F)cc3cccnc23)cc1)S(=O)(=O)c1ccccc1 31607650 PVLXYMQXZGNJTP-UHFFFAOYSA-N 422.481 4.778 0 40 HJAB COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccccc4F)cc3)n2)cc1 32579037 TUNZYDZOLAXVHH-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(C)cc2)cs1)c1ccccc1Cl 32937484 WMRRNMFCEAMUGE-GOSISDBHSA-N 413.930 4.978 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1C 35289290 RQLIAMRUUDBKKU-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB COC(=O)c1c(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)sc2c1CCCC2 35476543 GOJJZKYUPUENHJ-MRXNPFEDSA-N 402.491 4.922 0 40 HJAB Cc1ccc2[nH]cc(C(=O)CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1 35843278 MOUCHWNACZWJFO-UHFFFAOYSA-N 402.325 4.788 0 40 HJAB COc1ccccc1Oc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C)cc1 36616086 PJVGCGMZARDLQE-UHFFFAOYSA-N 414.465 4.899 0 40 HJAB c1ccc(OCc2nc3ccccc3n2CC2CCN(Cc3ccccn3)CC2)cc1 36708925 DKENXJZVFQZIEJ-UHFFFAOYSA-N 412.537 4.923 0 40 HJAB Cc1cccc(COC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 39615953 KEBRSBCFHJMGCG-OAQYLSRUSA-N 418.518 4.622 0 40 HJAB Cc1ccccc1-c1cc(NC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)on1 58279375 SWFGNHHYWLPHHL-INIZCTEOSA-N 401.470 4.938 0 40 HJAB CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1ccc(Cl)cc1 71327886 FBQZXICTTGSESQ-UHFFFAOYSA-N 409.917 4.516 0 40 HJAB CC(C)N(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 72214842 STXQOICTJXTHFN-UHFFFAOYSA-N 421.538 4.719 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H]2c2cccc(Cc3ccc(F)cc3)n2)cc1 72357971 KHGBWEGYGUBNNK-DEOSSOPVSA-N 404.485 4.726 0 40 HJAB CCOC(=O)Nc1ccc(NC(=O)c2c[nH]c3cccc(Br)c23)cc1 89984753 XWCVOMIZMSSWLY-UHFFFAOYSA-N 402.248 4.751 0 40 HJAB O=S(=O)(Nc1ccc(F)cc1F)c1cc(Br)cc(C(F)(F)F)c1 98072711 DNCDWBNPRFTDMZ-UHFFFAOYSA-N 416.165 4.547 0 40 HJAB CCOc1cccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c1 222701094 XNEGSHCBCWDLBR-JCMHNJIXSA-N 420.534 4.543 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NC(C)(C)CC(C)(C)C)cc1 223865750 CTWCDAUXQQVZRH-UHFFFAOYSA-N 416.587 4.765 0 40 HJAB CCOc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1OCC 225060348 WDNGWBYEZNRVIJ-UHFFFAOYSA-N 411.926 4.940 0 40 HJAB CCOC(=O)c1cc(NC(=S)NC2(c3cccnc3)CCCC2)ccc1Cl 225866247 IWHQAKUKFLHGRJ-UHFFFAOYSA-N 403.935 4.668 0 40 HJAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)NC[C@H]4CCCO4)CCOCC3)cc2)c1 257236398 HBZAUHYPJIKWTL-XMMPIXPASA-N 407.554 4.605 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2C)c1 408617204 IRFRFUWVQDGMLH-UHFFFAOYSA-N 414.571 4.947 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(Cl)cc2)cc1 408694644 LFTIENUFEVPOFH-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 409000041 DNEWAKCPHFYXPJ-CPJSRVTESA-N 414.549 4.837 0 40 HJAB O=C1CCCCN1[C@@H](C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2)c1ccccc1 500667971 WBIADXZNABXEJX-VDKIKQQVSA-N 400.522 4.587 0 40 HJAB C[C@@H](c1ccccc1)N1C[C@]2(COCCN(c3ccc4ccccc4c3)C2)CC1=O 585104106 JBNGDROJXZCCIX-FNZWTVRRSA-N 400.522 4.656 0 40 HJAB C[C@H](NC(=O)CN1CCN(CC2CC2)c2ccccc21)c1ccc(Cl)cc1Cl 1657714295 JZXUFVIHWHMVNG-HNNXBMFYSA-N 418.368 4.907 0 40 HJAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[C@H](C)Cc1cccc(C)c1 2371094 AIHUAHHEWFCXSK-MRXNPFEDSA-N 408.498 4.869 0 40 HJAB COc1ccc(C(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)cc1OC 2628066 KDYUMIWSCRHNRV-UHFFFAOYSA-N 415.540 4.891 0 40 HJAB O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(Br)s1 2634371 YRGSTROKECVWQH-UHFFFAOYSA-N 415.692 4.553 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)cc1OC 4029865 LWRLBQILWIOHKS-CYFREDJKSA-N 408.498 4.533 0 40 HJAB biogenic COc1ccc(-c2c(NC(=O)c3cccc(OC)c3)oc3ccccc3c2=O)cc1 4089751 LECDTGFHLCHEEL-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB biogenic O=c1c2c(nc(SCc3ccc(Cl)cc3)n1Cc1ccccc1)CCS2 4358754 YHKVHHOLDMWDQB-UHFFFAOYSA-N 400.956 4.886 0 40 HJAB COc1ccc(CNC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1 4743845 IWDHMJJIVUUUOQ-UHFFFAOYSA-N 419.477 4.722 0 40 HJAB biogenic O=C(N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)C12CC3CC(CC(C3)C1)C2 4782355 YUGFLWOBAIZIFD-ICFVPDRFSA-N 409.505 4.798 0 40 HJAB CN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c2ccccc21 5035106 PKANGYBYFSCXPB-RGEXLXHISA-N 413.864 4.556 0 40 HJAB Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)c(C)c1 5093554 GGXVKOKJHJWILE-FCEUIQTBSA-N 418.518 4.724 0 40 HJAB CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 5200768 HGZLQJBKHRHJMS-JFIYKMOQSA-N 406.452 4.948 0 40 HJAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 5240948 JEIGDUIGSVINQR-UHFFFAOYSA-N 406.463 4.541 0 40 HJAB C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1 5391826 NJOLCGZNNWCOGF-CQSZACIVSA-N 401.919 4.620 0 40 HJAB CN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 5866845 LQPCKGCQMILGHN-UHFFFAOYSA-N 410.543 4.794 0 40 HJAB Fc1ccc(-c2noc(CSc3nnc(-c4ccccc4F)n3C3CC3)n2)cc1 7047577 UMJAUYJMGSBVTK-UHFFFAOYSA-N 411.437 4.901 0 40 HJAB COc1cc(NC(=O)c2ccco2)c(C(=O)OCc2ccccc2Cl)cc1OC 7152254 MZSLESONPIEVKP-UHFFFAOYSA-N 415.829 4.560 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)cc1 7605326 XZEWAXNINAHDOG-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB CN1CCN(c2ccccc2NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 7735241 OCWIKALLJHIDQY-DEOSSOPVSA-N 417.578 4.911 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1F)c1ccc(F)cc1 8810931 BSQLTRDWXBNCRH-UHFFFAOYSA-N 422.497 4.608 0 40 HJAB CCCN1C(=O)CCc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21 9107251 LGOMQWSFHMFADD-UHFFFAOYSA-N 407.297 4.700 0 40 HJAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1 9114698 APAWVWGNFRDVFD-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)COc3ccccc3C)ccc1O2 9135407 FIGQYGHNHYTXNH-UHFFFAOYSA-N 402.450 4.703 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1nc2ccc3nc(SC)sc3c2s1 9404753 AEEKQVHMAFKZNR-UHFFFAOYSA-N 417.537 4.897 0 40 HJAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ncc(-c2ccccc2)o1 9882623 DWVAVPYZFRCJBG-AREMUKBSSA-N 423.472 4.532 0 40 HJAB C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccc(-n2ccnc2)cc1 9883861 OOEJNFNCFGNAQA-MRXNPFEDSA-N 416.506 4.677 0 40 HJAB CSc1ccc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 10543784 AFNXRDUUWUAVKZ-UHFFFAOYSA-N 417.527 4.605 0 40 HJAB CC[C@H](CNC(=O)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1)OC 12231759 MLKJPPHIXXSCIF-LJQANCHMSA-N 417.496 4.512 0 40 HJAB Cc1ccc(OCc2nc(CC(=O)Nc3cccc(Br)c3)cs2)cc1 12866953 YTNXILZBNVCLBQ-UHFFFAOYSA-N 417.328 4.974 0 40 HJAB CCCOc1c(Cl)cc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1OC 13008636 LROQMSIWQPBBLP-UHFFFAOYSA-N 421.284 4.624 0 40 HJAB COc1ccc(/C=C/C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1 17091276 WTMWMXZWKQOQBM-VMPITWQZSA-N 417.943 4.793 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19333236 PSAVDZJZZTVEHN-AWEZNQCLSA-N 405.395 4.670 0 40 HJAB O=C1CCCc2nc3nc(N4CCCCC4)[nH]c(=O)c3c(-c3cccc4ccccc34)c21 20102094 CUVZDGKDVFFYEM-UHFFFAOYSA-N 424.504 4.648 0 40 HJAB Nc1nc(CSc2nccc(C(F)(F)F)n2)nc2sc3c(c12)CCCCC3 22614619 UXBWVMCHQCIADJ-UHFFFAOYSA-N 411.478 4.644 0 40 HJAB CC(C)CCn1c(SCc2nnc(-c3cccs3)o2)nc2ccccc2c1=O 23878349 XXANWXVLCBFOMD-UHFFFAOYSA-N 412.540 4.846 0 40 HJAB COc1ccc(CSc2nnc(Nc3cc(Cl)ccc3Cl)c(=O)n2C)cc1 28538956 ZWDZLNIUSSHSLX-UHFFFAOYSA-N 423.325 4.527 0 40 HJAB CC(C)C(=O)Nc1ccc(CNC(=O)N[C@H](C)c2cccc(Br)c2)cc1 31043651 QQJUXGOCPKGWGD-CQSZACIVSA-N 418.335 4.604 0 40 HJAB CC(=O)NCc1ccc(C(=O)CSc2nc(-c3ccco3)nc3ccccc23)s1 32868686 FHTPJSGSVXAULC-UHFFFAOYSA-N 423.519 4.562 0 40 HJAB CCOc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccccc4)n3)c2)cc1 33327241 QUUKHYWSGUZKRG-UHFFFAOYSA-N 415.449 4.820 0 40 HJAB Cc1ccc([C@@H](NS(=O)(=O)Cc2c(F)cccc2Cl)c2ccccc2)cc1 38755129 VCWULFYHYAPREK-NRFANRHFSA-N 403.906 4.997 0 40 HJAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 38772703 DBKOWBMALLTIIM-HNNXBMFYSA-N 400.906 4.809 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCCCC2)cc1 44855704 HJCPXZIHEVEYFU-JOCHJYFZSA-N 408.542 4.713 0 40 HJAB CCOc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 57314346 HXYUDOBNXMOVQU-UHFFFAOYSA-N 415.537 4.660 0 40 HJAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1cc(F)ccc1F 57487262 ZRCDCMMOEDNRIX-UHFFFAOYSA-N 414.799 4.775 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c1 60166064 ONCLFUORWXTYBP-UHFFFAOYSA-N 402.903 4.732 0 40 HJAB Cc1cccnc1Nc1cncc([C@@H]2CCCN2Cc2cn(C)c3ccc(F)cc23)n1 72376419 CPOQGWDQNHFFAX-QFIPXVFZSA-N 416.504 4.892 0 40 HJAB COc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2)cc1 72396202 ZJYZHXVUAJSFGJ-HSZRJFAPSA-N 417.553 4.703 0 40 HJAB Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 78623914 QWHXUZSTRUMLCJ-AOYPEHQESA-N 412.533 4.791 0 40 HJAB Cn1ncc(Cl)c1-c1nnc2sc(-c3cc(C(F)(F)F)ccc3Cl)nn12 79474618 ZZKIRYRPLMUMTD-UHFFFAOYSA-N 419.219 4.579 0 40 HJAB CC(C)n1cnc2c(NCC3CC3)nc(C3CCN(C(=O)c4ccccc4)CC3)cc21 96155621 HCSOKEPOLSIQSG-UHFFFAOYSA-N 417.557 4.854 0 40 HJAB COc1ccc(-c2nnc(NC(=O)CSCc3ccc(Cl)cc3F)s2)cc1 224727669 GQELOQPKNDKMSM-UHFFFAOYSA-N 423.922 4.878 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 225208615 KLIDKIUIXFYJDT-ROUUACIJSA-N 400.950 4.523 0 40 HJAB O=C1CCCN1c1ccc(NC(=S)NCCSCc2cccc(Cl)c2)cc1 225300356 OJRUIWWLAXSYAM-UHFFFAOYSA-N 420.003 4.687 0 40 HJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCC 225398424 KCBCUQRNIOPSBS-QFIPXVFZSA-N 414.977 4.996 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 225657857 SIHIZMACGHQJFS-WMZHIEFXSA-N 412.549 4.707 0 40 HJAB O=C(CCc1nc(-c2cccc(F)c2)no1)NC(c1ccccc1)c1ccccc1 225801662 ZIBLDCZRBWPONU-UHFFFAOYSA-N 401.441 4.714 0 40 HJAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc4ccccc4c3)s2)cc1 225839977 IHAOTRZNDVZGLI-AWEZNQCLSA-N 405.479 4.773 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 225881599 CFGZAXKOWGZSJO-QFIPXVFZSA-N 408.542 4.890 0 40 HJAB O=C(NCc1cccnc1)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 257301417 RYJMLQPHTRHKID-UHFFFAOYSA-N 422.475 4.683 0 40 HJAB O=C(O)CN(Cc1ccccc1)C(=O)CCn1c(C2CCCCC2)nc2ccccc21 257343848 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Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(C[C@H]1CCCO1)C3=O 2401846 MAWUZNWSDVGOLX-XXBNENTESA-N 417.505 4.949 0 40 HJAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1c(C)cccc1C 2649761 VNSILLQALVCWPL-UHFFFAOYSA-N 422.356 4.899 0 40 HJAB CN(C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1)C1CCCCC1 3270038 OBNSADWZWGMOSD-UHFFFAOYSA-N 414.552 4.973 0 40 HJAB COc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)cc1Cl 3277901 XUHDMRUORFOQRZ-UHFFFAOYSA-N 405.932 4.573 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c(Br)c1 3297828 XUTQNCNNIDRRIR-UHFFFAOYSA-N 416.193 4.572 0 40 HJAB COCCCN(C(=O)c1ccccc1)c1nc(-c2cc(OC)ccc2OC)cs1 4186932 LNRBIDNELHYYJX-UHFFFAOYSA-N 412.511 4.511 0 40 HJAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1Cl 4742711 LEDKXMFQFLWWEL-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1ccccc1Cl 4834795 ZUPPMIHKAFPSTC-UHFFFAOYSA-N 403.265 4.863 0 40 HJAB CCCCCCc1cc2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)oc2cc1O 4936787 MTDNAJKLNBSOFO-UHFFFAOYSA-N 400.496 4.763 0 40 HJAB O=C1OCC2=C1[C@@H](c1ccc(Cl)cc1)CC(=O)N2c1cccc(C(F)(F)F)c1 5266417 SCINCDYTSNQGQB-OAHLLOKOSA-N 407.775 4.690 0 40 HJAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(OC(C)C)c2)no1 5271046 JCGSPFUZBPBPKI-OAQYLSRUSA-N 416.433 4.626 0 40 HJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](NCCCn1ccnc1)c1ccccc1 6548560 MMGXPTDKVLAJNE-LJQANCHMSA-N 403.313 4.550 0 40 HJAB Cc1cccc(N2CCN(C(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)CC2)c1C 7504927 GUMGXPVTVSUTAQ-IBGZPJMESA-N 400.950 4.690 0 40 HJAB CCc1ccc2c(CC(=O)NCCc3ccc(OC(F)F)c(OC)c3)coc2c1 8360592 FIIPYLMYKUHTED-UHFFFAOYSA-N 403.425 4.507 0 40 HJAB Cn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1ccc(Cl)cc1 8428095 XUSOIOQFUUDSHD-UHFFFAOYSA-N 408.310 4.852 0 40 HJAB COc1ccc(CC(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 8601265 NUHLCJCTUAEAFB-UHFFFAOYSA-N 420.456 4.739 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)Cc1c(C)nn(Cc2ccccc2Cl)c1C 8748577 LFASMLADLOBMCQ-UHFFFAOYSA-N 424.976 4.889 0 40 HJAB O=S(=O)(NC[C@H](c1ccsc1)N1CCCC1)c1ccc(-c2ccccc2)cc1 8900176 DAXPUFGYJWEVDT-JOCHJYFZSA-N 412.580 4.531 0 40 HJAB Cc1ccc(-n2c(SCCn3c(C)csc3=O)nnc2-c2ccccc2)cc1C 9282979 PAYNVDGFYSXYIA-UHFFFAOYSA-N 422.579 4.875 0 40 HJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1 9356003 RNGGLYMXDIDWGM-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB COc1ccc(/C=C/c2nnc(NC(=O)c3ccc(Br)cc3)s2)cc1 9498978 BHHSXTVYDRMJKW-NYYWCZLTSA-N 416.300 4.732 0 40 HJAB O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12)c1cccc(F)c1 9518466 NUAINOSOJGRZBL-UHFFFAOYSA-N 418.380 4.805 0 40 HJAB O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1cccc(N2C(=O)CCC2=O)c1 9599508 NLUVGHUJSKKCKZ-UHFFFAOYSA-N 420.277 4.509 0 40 HJAB CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 9668191 STGHBCKNUZBEDY-KVULBXGLSA-N 416.509 4.708 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1Cl 9980295 BKAUWLQPBUBHSZ-UHFFFAOYSA-N 420.856 4.996 0 40 HJAB Cc1ccccc1Cn1c(=O)n(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21 10156765 YUDYZAZETKAHDQ-UHFFFAOYSA-N 411.288 4.816 0 40 HJAB CCOc1ccc(Oc2ccc(NC(=O)CNC(=O)c3ccc(C)cc3)cc2)cc1 11506851 PKPMZACEXDXRNJ-UHFFFAOYSA-N 404.466 4.555 0 40 HJAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl 12532932 ZHCSYCARHSLOEY-HBIYDYFMSA-N 406.309 4.687 0 40 HJAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(C)C)cc2)c1 12552103 UKNVWBBXSPBCTL-UHFFFAOYSA-N 424.522 4.872 0 40 HJAB COc1ccc(OCc2nnc(SCc3c(C)noc3C)n2-c2ccccc2)cc1 12606216 QSZJCPLLXAVPRU-UHFFFAOYSA-N 422.510 4.752 0 40 HJAB COc1cc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)ccc1OC(F)F 12891272 QIGFJJKLSRKGOK-UHFFFAOYSA-N 400.425 4.798 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccc(-c3nccs3)cc2)c(Br)c1 12927146 LHSGLEKGPMTNRN-UHFFFAOYSA-N 403.301 4.899 0 40 HJAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3C)CC2)c2ccccc12 12928327 SMCCVLKMKGXVIH-UHFFFAOYSA-N 402.494 4.648 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1 12940382 NVUNQTNZYLTJJS-UHFFFAOYSA-N 423.925 4.681 0 40 HJAB CC1=C(NC(=O)Nc2ccc(OCc3ccccc3)cc2)CN(c2ccccc2)N1C 15021027 BNQOFRIKEADFCS-UHFFFAOYSA-N 414.509 4.986 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C 16789170 NMERFWSMFYPYKT-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB CC(C)(C)C(=O)N1CCC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1 19083345 GVANSWBJSLJFTK-VNQPRFMTSA-N 414.516 4.969 0 40 HJAB Cc1ccc2oc(C(=O)N3CCC[C@]4(CCC(=O)N4)[C@H]3c3cccc(F)c3)c(C)c2c1 19220414 ZSKFNVJMWXXZNZ-NOZRDPDXSA-N 420.484 4.815 0 40 HJAB O=C(CSc1ccc(F)cc1F)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 19295322 ZESCPOCBEFGMKS-AWEZNQCLSA-N 420.506 4.879 0 40 HJAB Clc1ccc(-c2cn3c4ccccc4n(CCN4CCOCC4)c3n2)cc1Cl 19799747 QYZBWHBNUGCZGC-UHFFFAOYSA-N 415.324 4.595 0 40 HJAB O=C(Nc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20049539 WJSAPWUICYZVAG-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB Cc1ccn2cc(C(=O)Nc3ccccc3NC(=O)c3ccc(Cl)cc3)nc2c1 24640717 LBROKUDOJXWVBN-UHFFFAOYSA-N 404.857 4.801 0 40 HJAB O=C(CCCn1c(=O)oc2ccccc21)N1CCc2sccc2[C@@H]1c1cccs1 25063409 FRSUHEMFNMVBAF-OAQYLSRUSA-N 424.547 4.672 0 40 HJAB COc1ccc(OC)c(CN(C(=O)c2cc(Br)ccc2Cl)C2CC2)c1 26028825 IMZAOFMFBNSNIO-UHFFFAOYSA-N 424.722 4.925 0 40 HJAB Cn1c(=O)n(C)c2cc(SC3CCCCC3)c(NC(=O)c3cccc(F)c3)cc21 28049190 AFFALJJBLXWLOR-UHFFFAOYSA-N 413.518 4.693 0 40 HJAB Cc1nc(NCc2ccc(-n3ccnc3)nc2)c2c(-c3cccs3)csc2n1 29036348 MKFQVIQCMVMTGQ-UHFFFAOYSA-N 404.524 4.921 0 40 HJAB Cc1c([C@H](C)NC(=O)c2ccc3[nH]cnc3c2)cnn1-c1cccc(C(F)(F)F)c1 30649226 SHGUMZSLKCPMHV-LBPRGKRZSA-N 413.403 4.567 0 40 HJAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1 30939741 NPLMOHOZYWLREW-UHFFFAOYSA-N 407.558 4.845 0 40 HJAB COc1ccc(-c2nc(NC(=O)CCc3nnc(-c4ccccc4)o3)sc2C)cc1 32747480 GVUBTQMRMKCCOK-UHFFFAOYSA-N 420.494 4.748 0 40 HJAB Cc1ccc(C)c(NC(=O)CCc2nc(CSc3nc4cc(C)ccc4[nH]3)no2)c1 33270733 XLGASWRIWJAKGI-UHFFFAOYSA-N 421.526 4.735 0 40 HJAB CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)cc2C1 40011956 YEWSSJHRESCSMX-FUHWJXTLSA-N 422.598 4.962 0 40 HJAB COc1cc(C(=O)NCCc2cccc3cccnc23)ccc1OCc1ccccc1 40040048 ZBWHJOVHXAJKIN-UHFFFAOYSA-N 412.489 4.795 0 40 HJAB O=C(Nc1cc(F)ccc1F)c1cccc(NC(=O)c2ccc(Br)o2)c1 40140195 POMOYKICTLUSDO-UHFFFAOYSA-N 421.197 4.825 0 40 HJAB CSCC[C@H](NC(=O)c1ccc(C)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 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CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCN1CCCc2ccccc21 219345941 MSGIOSDTBGOWOA-DEOSSOPVSA-N 402.538 4.956 0 40 HJAB O=C(NCCSC1CCCC1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 222773387 WAOYNNNKGNYBLF-UHFFFAOYSA-N 415.430 4.997 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccco1 223124306 VDENWQPCEJNEPU-JOCHJYFZSA-N 424.928 4.599 0 40 HJAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1Cl 223305576 DARZTDOSFVXLSF-AWEZNQCLSA-N 411.951 4.829 0 40 HJAB Cc1nc(NC(=S)NCc2ccccc2Cl)c(Br)cc1Cl 223932477 JVDKZNBGHIXMSW-UHFFFAOYSA-N 405.148 4.946 0 40 HJAB Cc1ccc(C)c(OCCNC(=O)COc2ccc(C(C)C)cc2Br)c1 224015721 DGVPPBRJGUQVDM-UHFFFAOYSA-N 420.347 4.763 0 40 HJAB COc1ccc(CNC(=O)c2ccc(OC)c(COc3ccccc3Cl)c2)cc1 224132092 CTIQUFHHFRWXEY-UHFFFAOYSA-N 411.885 4.866 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)COc1ccccc1C 224155128 HACKSWGUROYFFU-HSZRJFAPSA-N 422.569 4.548 0 40 HJAB CCCC[C@H](CC)CNC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 224773530 AZBMGGAVWOBGGY-KRWDZBQOSA-N 417.015 4.527 0 40 HJAB CC(=O)c1cccc(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)c1 224878939 IFVWXJJMTRFGHK-UHFFFAOYSA-N 413.271 4.878 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 225033008 KCSXAOXNQKNZDT-XMMPIXPASA-N 422.569 4.630 0 40 HJAB Cc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225581649 CQUCHGFPPGPREG-UHFFFAOYSA-N 402.941 4.749 0 40 HJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)c1ccc(OC)cc1 225629029 FATNHNTZZFJRMI-LEYFIJQKSA-N 418.493 4.635 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 225658257 YRSOCFWDVKOBOH-KRWDZBQOSA-N 418.990 4.622 0 40 HJAB CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F 245231890 MAUPZZZEAKRODF-QXEWZRGKSA-N 406.861 4.787 0 40 HJAB CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 257238228 HKBITSVJGHKIFI-HYBUGGRVSA-N 418.581 4.687 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)N1CCCCC1 408563743 WZDJWVSFVZFQCR-UHFFFAOYSA-N 409.511 4.658 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc(C)n2-c2ccc(Cl)cc2)c(C)c1 409116220 MBNOUTPTHZMPEL-UHFFFAOYSA-N 400.935 4.885 0 40 HJAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 409350983 VDVLHZROBHOTMS-OOILLMMASA-N 406.507 4.925 0 40 HJAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4OC)sc3n2)c1 1307055 NKPLXYKRTRNGFN-UHFFFAOYSA-N 405.479 4.815 0 40 HJAB O=c1cc(CSc2nnc(-c3ccccc3Br)o2)c2ccccc2[nH]1 1328760 FNFKXAQYROJDLC-UHFFFAOYSA-N 414.284 4.633 0 40 HJAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1ccco1 2400687 MKXOZQBJSUFPEC-LJQANCHMSA-N 409.800 4.924 0 40 HJAB Cc1ccc(C(=O)Oc2ccc(/C=C3/N=C(c4cccc(F)c4)OC3=O)cc2)cc1 2891898 OVRDBKJLPAABGI-FYJGNVAPSA-N 401.393 4.698 0 40 HJAB CCc1cc2c(=O)n(Cc3ccco3)c(SCc3c(C)noc3C)nc2s1 3451565 YNXMUUVYVNXPMH-UHFFFAOYSA-N 401.513 4.559 0 40 HJAB COCCCN(C(=O)c1ccccc1F)c1nc(-c2ccc(OC)cc2)cs1 4169380 IAXMUDYKLJONCY-UHFFFAOYSA-N 400.475 4.641 0 40 HJAB CC[C@@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccc(OC)cc2OC)s1 4174681 KITWPRJVIZQZAV-QGZVFWFLSA-N 415.540 4.732 0 40 HJAB C[C@H](NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2)c1ccccc1 4223205 DBCALZNRLMASGI-DXCKQFNASA-N 404.392 4.627 0 40 HJAB COc1cccc(NC(=O)[C@H](Sc2nnc(-c3ccco3)o2)c2ccccc2)c1 4828215 DANFJHICZDSWJH-GOSISDBHSA-N 407.451 4.810 0 40 HJAB COc1ccc(CCNc2cc(C)nc3c(-c4ccc(C)cc4)cnn23)cc1OC 5245986 VAAZCMVTJRHATC-UHFFFAOYSA-N 402.498 4.685 0 40 HJAB O=C(CSc1nc(CNc2ccccc2)n[nH]1)Nc1ccccc1-c1ccccc1 5448758 RBUXEQOMHBTUFJ-UHFFFAOYSA-N 415.522 4.815 0 40 HJAB CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(OC)cc1 5853254 WIDQLDJOBFVIMJ-UHFFFAOYSA-N 410.543 4.828 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1cc(F)ccc1F 5886663 NJJJBAYOLUAECS-UHFFFAOYSA-N 412.421 4.536 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)c(C)c1 6281845 SIDDSHWCMJZCGX-UHFFFAOYSA-N 424.570 4.865 0 40 HJAB COc1ccc(-c2noc(CSc3nnc(C)n3-c3ccc(Cl)cc3)n2)cc1 6804369 JRGRWSLKHNGSQI-UHFFFAOYSA-N 413.890 4.580 0 40 HJAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(-c2nc3ccccc3s2)o1 7491929 CHECUKNGIFJTSP-UHFFFAOYSA-N 403.463 4.935 0 40 HJAB Cc1nc(SCC(=O)c2ccc(N3CCCC3=O)cc2)c2c(C)c(C)sc2n1 7832859 HXTKPHRNGGFTPB-UHFFFAOYSA-N 411.552 4.718 0 40 HJAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccc(Br)cc2)CC1=O 7929330 MCIDTAIZIRTCGP-INIZCTEOSA-N 416.315 4.532 0 40 HJAB COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)C2CCN(C(C)=O)CC2)cc1 8037774 ZSGQVTFCLJOTLM-UHFFFAOYSA-N 408.542 4.610 0 40 HJAB Cc1cccc(NC(=O)COc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2)n1 9422661 BQXPUFZUUHQRTD-UHFFFAOYSA-N 416.433 4.615 0 40 HJAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc(C3CC3)n2C2CC2)o1 9582912 DVMTYHVWMPPEOZ-UHFFFAOYSA-N 420.498 4.796 0 40 HJAB C[C@H](Sc1nnnn1C1CCCC1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 9643915 GKRLYUDESBJYAQ-LBPRGKRZSA-N 424.555 4.607 0 40 HJAB CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3ccc(OC)cc3)C[C@H]21 10215641 NZULXNUKOTWIDD-QPPBQGQZSA-N 401.466 4.731 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N(Cc1ccccc1)c1ccccn1 10814062 JPNXKCDVXJKNGE-MRXNPFEDSA-N 411.299 4.845 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(Br)ccc2Br)c1 11635159 SUSAHYVYSOTYNF-UHFFFAOYSA-N 419.138 4.629 0 40 HJAB COc1ccc(C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)s1 12127868 NDGXDISXNNBFCW-UHFFFAOYSA-N 412.559 4.635 0 40 HJAB CCOc1cc2c(cc1NC(=O)COc1ccc(Oc3ccccn3)cc1)O[C@@H](C)C2 12521798 HPVAIXGZOMGKQI-INIZCTEOSA-N 420.465 4.614 0 40 HJAB O[C@@H](COc1cccc2ccccc12)Cn1c(-c2cscn2)nc2ccccc21 12541263 SWWVESSJJNLJAV-QGZVFWFLSA-N 401.491 4.753 0 40 HJAB CCCc1ccc([C@H](NC(=O)CNC(=O)Nc2ccccc2)c2cccs2)cc1 12920255 GSZJJYWUNVUYSW-QFIPXVFZSA-N 407.539 4.728 0 40 HJAB CC(C)C(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc2nccnc2c1 13734730 WENLFXBFGGICOV-FQEVSTJZSA-N 423.314 4.726 0 40 HJAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 14024272 QVMVSVOPQPOZNA-JPYJTQIMSA-N 402.494 4.974 0 40 HJAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 14425058 XETZFWRQAMKWIS-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB COc1ccc(CN2C[C@@H](c3cc(C(F)F)[nH]n3)[C@H](c3ccccc3)C2)cc1OC 19561205 UIYBWHWFDZVFEV-ZWKOTPCHSA-N 413.468 4.748 0 40 HJAB Cc1nn2c(ncc3c(=O)n(-c4ccc(F)c(F)c4)ccc32)c1-c1ccc(Cl)cc1 19821273 NFXGZBXVIVZIKB-UHFFFAOYSA-N 422.822 4.940 0 40 HJAB COc1cc(C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)ccc1C 36394476 FSMGCDQWHBQGRR-OAQYLSRUSA-N 403.457 4.664 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1ccc(Br)cc1 38512773 BYOMXOWXVFCPMI-CXUHLZMHSA-N 420.259 4.507 0 40 HJAB O=C(Nc1nnc(SCc2ccccc2)s1)C1(c2ccccc2)CCOCC1 41759855 KBWKSJIJBINBNG-UHFFFAOYSA-N 411.552 4.517 0 40 HJAB Cc1ccc(-n2cccc2CN(CCCn2ccnc2)Cc2cccc(F)c2)nc1 43277732 ZNUSOWPNOKWGGO-UHFFFAOYSA-N 403.505 4.609 0 40 HJAB COc1ccc(CNC(=O)c2cc(-c3sc(-c4cccc(C)c4)nc3C)n[nH]2)cc1 49002312 YMEVUJVDDCIINJ-UHFFFAOYSA-N 418.522 4.756 0 40 HJAB Cc1cc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)ccc1Br 51364564 UIROMKJSLVLURS-KRWDZBQOSA-N 423.310 4.916 0 40 HJAB C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)c1ccc(-c2ccccc2)cc1 57383326 KQUYWZLZXOKZBO-OALUTQOASA-N 413.521 4.768 0 40 HJAB Clc1ccccc1CN(Cc1ccccc1)Cc1nnnn1CCc1ccccc1 57675024 PWVFFUZHZINBBL-UHFFFAOYSA-N 417.944 4.772 0 40 HJAB Fc1cccc(Nc2nc(-c3ccncc3)nc3c2CN(Cc2ccccc2)CC3)c1 57774616 SIRKNLZVASKYGB-UHFFFAOYSA-N 411.484 4.980 0 40 HJAB CC(C)C(=O)Nc1ccc(NC(=O)N[C@H](C)c2cccc(Br)c2)cc1 58407186 UNYUOXSTFIZANG-CYBMUJFWSA-N 404.308 4.926 0 40 HJAB COc1ccccc1CN1CCC[C@H]([C@H](NC(=O)c2ccccc2)c2nccs2)C1 72341440 MHLJWTHDLJMNJQ-UNMCSNQZSA-N 421.566 4.535 0 40 HJAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 89608823 RVJSGMDZELFZAS-CQSZACIVSA-N 420.962 4.988 0 40 HJAB Cc1ccc(Cn2nc(C)c(CN3CCC(C(=O)c4ccccc4)CC3)c2C)cc1 95982395 HNHDKRXPQSNTFL-UHFFFAOYSA-N 401.554 4.952 0 40 HJAB O=C(C[C@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21)NC1CCC1 96053382 NRQJEGQJMRUPBH-IBGZPJMESA-N 410.583 4.708 0 40 HJAB COc1cccc(-c2nc(-c3noc4ccc(C(=O)Nc5cccnc5)cc34)co2)c1 96154354 GZXRJTUZAGQYQQ-UHFFFAOYSA-N 412.405 4.806 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 100122153 UATSXNGJSNRLHJ-NJYVYQBISA-N 422.843 4.530 0 40 HJAB CCCCn1c(=O)c(C(=O)Nc2ccccc2C(F)(F)F)c(O)c2ccccc21 100676073 RYZZTCFZXSMROR-UHFFFAOYSA-N 404.388 4.778 0 40 HJAB Cc1ccc(CN(c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1 197680783 KSEJJGNPCRTFPB-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB CCSC[C@@H]1CCCN1C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 206792532 VDZVTAHSCFEJSN-SFHVURJKSA-N 415.525 4.919 0 40 HJAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCC2)c1C 223049405 KZXWQYDJKDGBJR-YADHBBJMSA-N 412.603 4.624 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C 223700062 OVSRUHPEAVKOLX-HSZRJFAPSA-N 424.585 4.714 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1cccc2ccccc12 223767043 KMSHZVDUJHHMRB-GOSISDBHSA-N 422.956 4.979 0 40 HJAB CCCC[C@H](CC)CNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 224083063 FNOIHCKSXXBJCF-SFHVURJKSA-N 402.560 4.742 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 225035126 LQEHUUQSKMXXFL-ZWKOTPCHSA-N 400.950 4.523 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 225511807 XOCWIPKLSAZNCF-QPPBQGQZSA-N 424.585 4.713 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)n1 257223825 DZBQFOGUWFRVSA-FQEVSTJZSA-N 420.532 4.875 0 40 HJAB Cc1cccc2nc(C(=O)N3CCCC[C@H]3c3ncc(Cc4ccccc4)o3)cn12 257277664 NYWZJDUQVLXIHM-NRFANRHFSA-N 400.482 4.589 0 40 HJAB CC1CCN(c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 408706986 GHUONQKGDVHBLR-KRWDZBQOSA-N 411.933 4.568 0 40 HJAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc2c(c1)CCO2)OCCO3 521438686 CJKFGJPSSNSOTR-MRXNPFEDSA-N 420.509 4.813 0 40 HJAB Fc1cc(Br)cc(Br)c1NC(=S)N1CCCCCC1 575442374 DQOBIIZYQKHANE-UHFFFAOYSA-N 410.150 4.924 0 40 HJAB C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccccc2)no1 1137926065 GQXZVHMSLUIJSJ-LLVKDONJSA-N 409.795 4.942 0 40 HJAB CC(=O)N1CC2=Nc3cccc4[nH]cc(c34)[C@H](c3ccc(Br)cc3)C2=C1O 1547205824 MQNBYBUUSNCLFP-SFHVURJKSA-N 422.282 4.780 0 40 HJAB COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1Br 730789 QYSXUGDVXOIGKM-UHFFFAOYSA-N 424.254 4.913 0 40 HJAB Cc1ccc2c(CC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)coc2c1 3308559 DWSFKSXFTRXETF-UHFFFAOYSA-N 418.415 4.778 0 40 HJAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3cccc(Cl)c3)n2)cc1C 3348864 CISDAFQULOVDLM-UHFFFAOYSA-N 400.887 4.876 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N1CCCCC1 3604148 UAWMSEPRABYPOO-UHFFFAOYSA-N 412.946 4.692 0 40 HJAB COc1cccc(C(=O)n2nc(-c3ccco3)nc2NCc2ccc(Cl)cc2)c1 4777316 KWQNNGVMFSVTGB-UHFFFAOYSA-N 408.845 4.501 0 40 HJAB O=CN(CCCC[C@H]1C(=O)N[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1)c1ccccc1 4811799 HSUJEVIVQKZGOF-NDBXHCKUSA-N 404.554 4.908 0 40 HJAB CC(C)C(=O)N1CCCc2cc(NC(=O)c3cccc(Br)c3)ccc21 5099474 PWAHJVKTRSQKFC-UHFFFAOYSA-N 401.304 4.637 0 40 HJAB CCOC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)c(C(=O)OCC)c1C 6047092 UGBQUKPVXPQDSP-UHFFFAOYSA-N 410.879 4.707 0 40 HJAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(I)cc1 6548383 NSWXXARLPUWWCQ-UHFFFAOYSA-N 406.267 4.534 0 40 HJAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)cs1 6681751 PFALBMKHVWGUCE-UHFFFAOYSA-N 406.916 4.763 0 40 HJAB Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 6785873 CPEQDEIFXMIGAU-IBGZPJMESA-N 402.494 4.659 0 40 HJAB Cc1cccc(NC(=O)[C@@H]2Sc3nnc(-c4ccccc4)n3NC23CCCCC3)c1 6811751 RNMRGIWJWNTFRU-IBGZPJMESA-N 419.554 4.613 0 40 HJAB biogenic COc1cc(C(=O)OCc2ccc(Cl)cc2)ccc1OCc1c(C)noc1C 7429816 NCTZHXCCPYKTKO-UHFFFAOYSA-N 401.846 4.889 0 40 HJAB CCOc1cc2c(cc1/C=C1\CCn3c1nc1cc(Cl)ccc1c3=O)O[C@H](C)C2 7699700 UBIXQRATYLOLAA-OZYJXZHSSA-N 408.885 4.716 0 40 HJAB CCc1ccccc1NC(=O)Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S 8088467 NXCLRAKJOKPRSB-UHFFFAOYSA-N 423.538 4.864 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OC)c1C 8276335 XARZAVJAVQSLID-LICLKQGHSA-N 403.887 4.902 0 40 HJAB Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2cccc(F)c2)C1 8297458 LGVVFBMIZQXQQL-ZWKOTPCHSA-N 417.484 4.614 0 40 HJAB biogenic,in-vitro O=C(CSc1nnc(NCc2ccc(F)cc2)s1)N(C1=CCCCC1)C1CC1 8541701 TYZOYRYLOTTXFK-UHFFFAOYSA-N 418.563 4.830 0 40 HJAB O=C(Nc1cccc(Cl)c1)Nc1ccccc1OCc1cc(=O)n2ccccc2n1 8619663 JHJJITQXNYJPSX-UHFFFAOYSA-N 420.856 4.571 0 40 HJAB O=C(Nc1ccc(Br)cn1)c1cccc(-c2cc3ccccc3oc2=O)c1 8684715 IYFQVNJOXZWHAF-UHFFFAOYSA-N 421.250 4.870 0 40 HJAB aggregator Cc1ccc(NC(=O)Nc2nc(C)c(C(=O)NCc3ccccc3Cl)s2)cc1 8771389 FQGMCHDIVCLEFY-UHFFFAOYSA-N 414.918 4.987 0 40 HJAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc2cc(Cl)ccc2s1 8893955 XKDDHIVYUKVFSH-NSHDSACASA-N 417.943 4.806 0 40 HJAB O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc21 8961251 CEYHGCZQLXEKCL-UHFFFAOYSA-N 414.870 4.640 0 40 HJAB COc1ccc(Br)cc1CN(C)Cc1nc(-c2ccc(Cl)cc2)no1 9753906 GHDSBIPUQORQLH-UHFFFAOYSA-N 422.710 4.793 0 40 HJAB Cc1cc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)ccc1Cl 11913986 JYXGLXMAFSQEBS-CQSZACIVSA-N 415.877 4.892 0 40 HJAB O=C(c1ccc(Cl)cc1F)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 12783620 FZDJLBINBFYWBN-UHFFFAOYSA-N 415.921 4.561 0 40 HJAB O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCN(Cc2ccccc2)CC1 12807166 FYKZCIILUHSYDV-LEWJYISDSA-N 417.578 4.691 0 40 HJAB Cc1nc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)nn1-c1ccc(F)cc1 12820044 DMIYUKHUMYMSKU-SFHVURJKSA-N 421.501 4.692 0 40 HJAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)c(N2CCCC2=O)c1 12980826 ADKMITAGUWYVIL-UHFFFAOYSA-N 415.877 4.982 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(Br)ccc1Cl 13005936 AOQDMSVZDSNZSA-UHFFFAOYSA-N 418.722 4.620 0 40 HJAB CC(C)c1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1COC(C)(C)C2 13217758 DOFIFTMYNOQZHP-UHFFFAOYSA-N 403.486 4.753 0 40 HJAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc2c(s1)CCCC2 14241160 WZLUCQRBRXYGDV-UHFFFAOYSA-N 409.580 4.894 0 40 HJAB CCc1ccc(-c2nc(CN3CCC(NC(=O)c4ccccc4)CC3)cs2)cc1 14255224 RCFIQOTZXXNRCM-UHFFFAOYSA-N 405.567 4.767 0 40 HJAB O=C(Nc1cccc2ccccc12)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 14428951 AUKKOWBDXXSEFG-UHFFFAOYSA-N 414.914 4.530 0 40 HJAB O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1cc(-c2cccs2)on1 15859979 SUTZXXXRNIGTJO-INIZCTEOSA-N 401.557 4.812 0 40 HJAB O=C(NCc1ccccc1)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 20522663 UFXRROGBNQKYAV-HXUWFJFHSA-N 418.884 4.979 0 40 HJAB O=c1c2scc(-c3cccc(Cl)c3)c2ncn1CCOc1ccc(F)cc1 23126802 IXJJAMYAIXTSER-UHFFFAOYSA-N 400.862 4.997 0 40 HJAB Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccccc3Cl)cs2)cc1 28288813 XKBCPHGOHTYQIQ-OAHLLOKOSA-N 400.931 4.898 0 40 HJAB Clc1ccc(-c2nc(CSc3ncnc4c3cnn4-c3ccccc3)no2)cc1 29281737 SLMBLACMJDVBBX-UHFFFAOYSA-N 420.885 4.811 0 40 HJAB Cc1cc(C)c2oc(C(=O)Nc3nc(SCc4ccccc4)ns3)cc(=O)c2c1 32593904 CYEMYVDJXUADCZ-UHFFFAOYSA-N 423.519 4.806 0 40 HJAB Cc1cccc(/C=C/C(=O)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)c1 32931692 NYDIYPPXKLKEPW-PEKVBPLLSA-N 409.505 4.599 0 40 HJAB O=C1C[C@H](C(=O)Nc2ccc3[nH]c(-c4cc(F)ccc4F)nc3c2)c2ccccc2N1 40157735 CYZXJPVZZKJGHR-HNNXBMFYSA-N 418.403 4.573 0 40 HJAB Cc1ccccc1-c1cc(NC(=O)[C@@H](C)OCC(F)(F)F)n(Cc2ccccc2)n1 48343337 RMQNEEJYCXFPQJ-MRXNPFEDSA-N 417.431 4.813 0 40 HJAB O=C(CCc1ccc(-c2ccccc2)o1)NC[C@H]1CCCN(Cc2ccccc2)C1 58175723 OFUZKJCDGUJRKA-JOCHJYFZSA-N 402.538 4.908 0 40 HJAB C=Cc1ccc(Cn2ccn3nc(-c4ccc(OCC)c(Cl)c4)cc3c2=O)cc1 72329612 OJQRRGDFOHZCFW-UHFFFAOYSA-N 405.885 4.906 0 40 HJAB CCOc1ccc(CN2CCC[C@H]2c2ccc(Nc3cccc(C)n3)cn2)cc1CO 72353205 SBXGEVZEQWFCDI-QHCPKHFHSA-N 418.541 4.757 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 72357972 MMWUHNDHJKJUCS-XMMPIXPASA-N 404.485 4.726 0 40 HJAB COc1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c(OC)c1 102181776 CPCWCEBGSAHTDC-RCRDTURJSA-N 408.336 4.766 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc(Br)cc1 219689037 JKNCIYPTYHJKSU-KDOFPFPSSA-N 418.331 4.943 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC)cc1 222674727 ZWMOXNUZAXKJMA-OAHLLOKOSA-N 421.368 4.652 0 40 HJAB Cc1ccccc1CN(C(=O)COc1ccc(C(C)C)cc1)[C@H](C)C(=O)NC(C)(C)C 222701953 BJKWNWOBYFEMFX-HXUWFJFHSA-N 424.585 4.829 0 40 HJAB COc1cc(C)c(S(=O)(=O)NCCOc2ccccc2C(C)C)cc1C(C)C 223834038 JSIGOJWGESPPGK-UHFFFAOYSA-N 405.560 4.608 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C(C)C 223853852 RKIZXKUCWCYWQK-VXKWHMMOSA-N 406.555 4.964 0 40 HJAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3ccccc3C)c2)c1 224100111 AXOUOXYMZSXKIR-UHFFFAOYSA-N 407.466 4.852 0 40 HJAB COc1ccc2cc(S(=O)(=O)NCCCc3cccc(OC(C)C)c3)ccc2c1 224312160 ZRRHYCUGMSXPSH-UHFFFAOYSA-N 413.539 4.547 0 40 HJAB COc1ccccc1NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224877775 GUZAXAINFIBDRJ-UHFFFAOYSA-N 401.260 4.684 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 225253312 IWUUULFFSUIURP-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB CCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225290530 AADOOTKXVRHBGZ-DEOSSOPVSA-N 406.570 4.794 0 40 HJAB Cc1cccc(CN(C(=O)CCc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)c1 225512667 NEXGGRYFWMKONV-GOSISDBHSA-N 400.950 4.523 0 40 HJAB Cc1cc(OCc2ccccc2)ccc1C(=O)[C@@H](Br)CBr 382704447 RHTBAYXSMRMOOX-INIZCTEOSA-N 412.121 4.915 0 40 HJAB Cc1cc(C)c(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)c(C)c1 408552635 RUWUFNSHRRASMX-UHFFFAOYSA-N 414.571 4.784 0 40 HJAB CCOc1cc(C(=O)Nc2cc(OC)ccc2OC)cc(Br)c1OCC 408556214 JBPVXSVBLDZJSX-UHFFFAOYSA-N 424.291 4.516 0 40 HJAB CCC(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2ccc(C(C)C)cc2)CC1 408629193 PDDOQTXLSMLVGP-SDNWHVSQSA-N 405.542 4.521 0 40 HJAB COc1ccc(-c2nc(Nc3ccc(C)c(Cl)c3)sc2CC(=O)O)c(OC)c1 408881214 KDIUOBOWUSZKSF-UHFFFAOYSA-N 418.902 5.160 0 40 HJAB C[C@@H](NC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2)c1noc(-c2ccccc2)n1 507475992 IRNARSQZKNLOSS-MAODMQOUSA-N 400.482 4.828 0 40 HJAB CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)c1 517408695 AOYXVFJOGJWHKR-UHFFFAOYSA-N 423.534 4.916 0 40 HJAB Cc1ccccc1[C@H]1CC(=O)c2c(nc3c(cnn3-c3ccc(Cl)cc3)c2N)C1 618257341 WCQKGESQBOLFKU-CQSZACIVSA-N 402.885 4.877 0 40 HJAB O=C(N[C@H]1CCC[C@H]1NC(=O)c1cccc(C(F)F)c1)c1cccc(C(F)F)c1 647620580 SGEICGASNZEOKK-CALCHBBNSA-N 408.395 4.643 0 40 HJAB COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2 798774 SNXFCHYLHWIFGI-UHFFFAOYSA-N 405.523 4.762 0 40 HJAB COc1ccccc1NC(=O)CSc1nnc2c(C)cc3cc(C)cc(C)c3n12 929728 IWMABHLAGVRLQG-UHFFFAOYSA-N 406.511 4.547 0 40 HJAB COc1ccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc3c2CCCCC3)cc1 1081677 WVBABUTYBTWKQB-UHFFFAOYSA-N 412.433 4.779 0 40 HJAB COc1ccc(NC(=S)N2CCC[C@@H](c3nc4cc(C)c(C)cc4[nH]3)C2)c(OC)c1 1350143 ZYBLZOCGCSPPMJ-MRXNPFEDSA-N 424.570 4.773 0 40 HJAB CN(C)c1ccc([C@H](CC(=O)c2ccc(Br)cc2)SCCO)cc1 1793592 YAVUYWZAUMWCRP-IBGZPJMESA-N 408.361 4.555 0 40 HJAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC(C)(C)OC3 2260678 UZTMUFCBOLMBDG-UHFFFAOYSA-N 416.568 4.809 0 40 HJAB Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1CC1CCCCC1 2296827 JGAORMQJMYPMLW-UHFFFAOYSA-N 413.525 4.677 0 40 HJAB CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3ccccc3)cc2oc1=O 2371587 PMLOWBHVWXNQQL-UHFFFAOYSA-N 400.858 4.830 0 40 HJAB O=C1CCCc2oc3c(Br)cc(NS(=O)(=O)c4ccccc4)cc3c21 3219103 VKNZLAGZTNRVDA-UHFFFAOYSA-N 420.284 4.515 0 40 HJAB COc1cc(NC(=O)COc2ccc3cc(Br)ccc3c2)cc(OC)c1 3430424 WRLWXULMTQSHIA-UHFFFAOYSA-N 416.271 4.637 0 40 HJAB O=C(CCCC(=O)OCC(=O)c1cccs1)Nc1ccc(Cl)c(Cl)c1 4510752 BVBGXRDNPTYVHQ-UHFFFAOYSA-N 400.283 4.590 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2-n2cccc2)c1 4586094 NPOHDKIDUSORCL-UHFFFAOYSA-N 417.538 4.714 0 40 HJAB C[C@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc3c(c2)oc2ccccc23)C1=O 4619988 PQDQYYSWUFOQND-ZLOXQWCVSA-N 400.459 4.859 0 40 HJAB COc1cccc([C@@H]2OCCN(Cc3ccccc3)C(=O)c3[nH]c4ccccc4c32)c1 4722700 FTGLWTHZSOHOHF-VWLOTQADSA-N 412.489 4.939 0 40 HJAB Cc1ccccc1OCCCn1c([C@@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 4910881 LBOWMHHZFNIGDE-LJQANCHMSA-N 405.542 4.928 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CN(C(=O)c1ccccc1)C1CCCCC1 4953223 DMLXAVOLUFLUMD-UHFFFAOYSA-N 400.906 4.762 0 40 HJAB Cc1cccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c1C 5648207 YDVFNKSIFGPJSV-UHFFFAOYSA-N 415.445 4.800 0 40 HJAB biogenic CCCOC(=O)c1cc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)ccc1Cl 5946725 QGRKVDZTIBMJEP-UHFFFAOYSA-N 412.873 4.621 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21 6545533 GAESVKTXPKWTNX-OALUTQOASA-N 404.510 4.693 0 40 HJAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1Cl 6602615 UYKHCQHVDGXMLU-QPJJXVBHSA-N 401.743 4.693 0 40 HJAB CCc1nnc(S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)O)[nH]1 7342572 OJBLSECWGAVUBL-UNOMPAQXSA-N 404.495 4.588 0 40 HJAB C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC(c2nc3ccccc3s2)CC1 8533021 VQDFXACHPHVECQ-HNNXBMFYSA-N 413.974 4.834 0 40 HJAB CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21 8840862 MRZCGWHAXZXYPW-UHFFFAOYSA-N 408.523 4.576 0 40 HJAB Cc1nc(CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)cs1 9516742 UUNSUQHEJYCSIL-UHFFFAOYSA-N 422.535 4.779 0 40 HJAB COc1cccc(Nc2nc(NCc3cccnc3)nc3c2cnn3-c2ccccc2)c1 9573616 LEOPSGQUEXYTPB-UHFFFAOYSA-N 423.480 4.575 0 40 HJAB CN(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1nc2ccccc2s1 9584351 JGICRZVEJWUZGV-UHFFFAOYSA-N 423.538 4.798 0 40 HJAB CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CSc2nccn2C)cc1 10885740 KEBCVTSAUKBUAE-UHFFFAOYSA-N 417.918 4.995 0 40 HJAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(NC(=O)c2ccco2)cc1 11206423 KCRBLZFHTMPIQY-UHFFFAOYSA-N 403.463 4.837 0 40 HJAB CCc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)c3cccs3)nc2s1 12583930 XKMXTCFZJPPSTI-UHFFFAOYSA-N 416.549 4.698 0 40 HJAB O=C(CCc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1OCC(F)(F)F 12765404 RXFIJZDXHFPFSB-UHFFFAOYSA-N 401.768 4.581 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 12867841 HMMFYCVRXBGUKS-HNNXBMFYSA-N 418.324 4.880 0 40 HJAB COc1cc(CSc2nc(CC(=O)Nc3ccccc3)cs2)cc(OC)c1 13010320 UQMWUNSQZWSGOG-UHFFFAOYSA-N 400.525 4.634 0 40 HJAB CCOc1ccc(N2C[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1 13036964 XPWHBUHKDCECFQ-AWEZNQCLSA-N 417.387 4.675 0 40 HJAB COc1cccc(NC(=O)CN(C)c2ncnc3cc(-c4ccc(F)cc4)sc23)c1 13110163 JHBORGTXPKKSEU-UHFFFAOYSA-N 422.485 4.581 0 40 HJAB Cc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 13207227 LKAMRDISBFIJAL-JOCHJYFZSA-N 410.473 4.859 0 40 HJAB CC1(C)C[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c2ccccc2O1 13675334 ZWNDLYFNJWZSTE-INIZCTEOSA-N 400.327 4.715 0 40 HJAB CCOc1ccc([C@@H]2CCCN2Cn2nc(-c3cccc(OC)c3)n(C)c2=S)cc1 14188774 ISCTWOLUTUBTBI-NRFANRHFSA-N 424.570 4.820 0 40 HJAB CC(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 15501189 YIJJTVVLDBSMEA-UHFFFAOYSA-N 401.315 4.779 0 40 HJAB Cc1cccc([C@@H]2CN(Cc3ccc(Cl)c(Cl)c3)C[C@]23CCCCC(=O)N3)n1 19236380 QXHRLJNHXCUZKF-HTAPYJJXSA-N 418.368 4.725 0 40 HJAB O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC(c2noc3cc(F)ccc23)CC1 19336598 CAZHHSVBRPJYGN-UHFFFAOYSA-N 409.392 4.781 0 40 HJAB CCCc1ncc(-c2cc(C)no2)c([C@@H]2CCCCN2C(=O)Cc2cccc(C)c2)n1 19525548 VBUJCQBUCHTJJB-NRFANRHFSA-N 418.541 4.997 0 40 HJAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@@H](C)Cn3nc(C)c(C)c3C)[C@@H]3CCCC[C@H]32)cc1 19556946 NOOYERDNFHPXFP-WHVJFRPHSA-N 409.574 4.542 0 40 HJAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 20047718 PVVJGOBAABUKFO-DEOSSOPVSA-N 423.484 4.887 0 40 HJAB CC(=O)NCCc1ccc(C(=O)[C@@H](C)Sc2nc(-c3ccccc3)cs2)cc1 26040239 ZLDYLNUPZFXUFX-OAHLLOKOSA-N 410.564 4.852 0 40 HJAB COc1ccc(-c2nnc([C@H](C)Sc3nnc(-c4cccnc4)n3C3CC3)o2)cc1 26411304 ZFUGCORVOTYHJN-ZDUSSCGKSA-N 420.498 4.587 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1C 28206855 OVNGGRNWLFZLSZ-SFHVURJKSA-N 420.534 4.696 0 40 HJAB C[C@@H]1CCc2[nH]c3c(C(=O)Nc4cccc(NC(=O)NC5CC5)c4)cccc3c2C1 30731016 ILJKIEDMBTVBPP-CQSZACIVSA-N 402.498 4.829 0 40 HJAB O=C(c1cc(Br)ccc1F)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32505596 QVAKXPIKONPPMX-UHFFFAOYSA-N 420.278 4.902 0 40 HJAB Cc1nn(C)c2ncc(NC(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)cc12 32899787 AACHIYWQZZXHNF-UHFFFAOYSA-N 411.440 4.883 0 40 HJAB COc1ccc(CCN2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)cc1OC 35040461 WAIVFAHIXCCEOA-LDADJPATSA-N 419.955 4.801 0 40 HJAB Cc1ncc(NC(=O)[C@H](C)Oc2ccccc2)n1-c1nc(-c2cccs2)cs1 35682750 GURWOBDOLNLBPL-ZDUSSCGKSA-N 410.524 4.772 0 40 HJAB Cc1ncc(NC(=O)COc2ccc(F)cc2)n1-c1nc(-c2cccs2)cs1 35682755 MZIHDXKCIISATO-UHFFFAOYSA-N 414.487 4.522 0 40 HJAB Cc1cccc(NC(=O)c2ccc(CSc3nnnn3-c3ccccc3)cc2)c1 36646439 BHYSBAABFMSUAV-UHFFFAOYSA-N 401.495 4.515 0 40 HJAB Cc1ccccc1N1C(=O)/C(=C/c2ccc(-n3ccnc3)cc2)c2ccccc2C1=O 36998872 MICNBANKCMDVSC-XQNSMLJCSA-N 405.457 4.908 0 40 HJAB COc1ccc2c(c1)N[C@@]1(CCCN(CCCOc3ccccc3)C1)c1cccn1-2 57719899 MLZWUHLYRUKOGD-RUZDIDTESA-N 403.526 4.672 0 40 HJAB O=C(Nc1ccsc1C(=O)Nc1ccc(Oc2ccccc2)cc1)c1cnccn1 67335955 XYALGEWAFBJTJI-UHFFFAOYSA-N 416.462 4.835 0 40 HJAB CC(C)(C)c1nc(-c2ccc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)cc2)no1 69420466 CCXZOOFOGJFKNU-UHFFFAOYSA-N 423.488 4.860 0 40 HJAB Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)NCC(F)(F)F)cc12 84068060 IHNVPGJEBFGDEJ-UHFFFAOYSA-N 407.339 4.706 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(Oc2cnc3ccccc3n2)CC1 90678734 GXYNAZDYJDSFJB-UHFFFAOYSA-N 416.403 4.724 0 40 HJAB COc1ccc(Br)c(C(=O)N[C@](C)(c2ccccc2)C(F)(F)F)c1 95457255 KHUPHXOKSGJGEQ-MRXNPFEDSA-N 402.210 4.665 0 40 HJAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccc2F)C12CCCC2 96344490 AXOHEYCOBNFKRL-JOCHJYFZSA-N 408.517 4.794 0 40 HJAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C1 102145204 AAYDTRXEZOFOGV-LAUBAEHRSA-N 418.584 4.590 0 40 HJAB Cc1cccc(-n2c(C)nnc2SCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 102319085 BGEULRNCUYQDJF-FFZOFVMBSA-N 401.576 4.980 0 40 HJAB COc1cccc(-c2noc(CNC(=O)CC(c3ccccc3)c3ccccc3)n2)c1 219131666 YLJVRZWUOXBOFH-UHFFFAOYSA-N 413.477 4.584 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219324779 QOCZMFBEICVLEC-RTBURBONSA-N 403.906 4.925 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccnc2)c1C 222954499 HHNUGKXEVQPUMA-VXKWHMMOSA-N 405.571 4.657 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1C1CCCCC1 223112129 XRFCSBQCMUUQKI-GOTSBHOMSA-N 417.582 4.632 0 40 HJAB O=C(NCCSC1CCCC1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 223441602 ATSUZAHOYZXTDK-UHFFFAOYSA-N 415.430 4.997 0 40 HJAB CCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223537622 WDILDOOLDUCJSD-UTKZUKDTSA-N 400.950 4.605 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 223686858 OSCFAUSOPFLNGJ-XMMPIXPASA-N 424.585 4.878 0 40 HJAB Fc1ccc(C2(CNC(=S)Nc3cnc(Br)cn3)CCCCC2)cc1 224007712 JUTLQLXIVGSEDP-UHFFFAOYSA-N 423.355 4.567 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1)c1ccccc1 224140286 MYHSNERFFOVAJY-HSZRJFAPSA-N 422.550 4.701 0 40 HJAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 224630459 PTWVJPFDKXETHP-HXUWFJFHSA-N 421.368 4.522 0 40 HJAB CCCSc1nnc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)s1 224866995 FMCXKFXKCSSCCV-UHFFFAOYSA-N 424.595 4.851 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 225131357 HJAQTMHDSCVHST-ROUUACIJSA-N 400.950 4.523 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 225423249 ZZFKTDDHICKBKZ-WOJBJXKFSA-N 412.599 4.543 0 40 HJAB Cc1ccccc1CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@H](C)C(=O)NC(C)C 225490595 LFDAYRNDYYSXBU-HXUWFJFHSA-N 424.585 4.613 0 40 HJAB CC[C@@H](NC(=S)Nc1cccc(Br)c1)c1ccc(OC)c(OC)c1 225718044 IFTCNWCYQUGGIH-OAHLLOKOSA-N 409.349 4.904 0 40 HJAB C[C@H](NC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(C(F)(F)F)n1)c1ccccc1 225963494 PLYUOIFKGJRODQ-KGLIPLIRSA-N 423.508 4.779 0 40 HJAB O=C(NCC[C@H]1CCCCN1C(=O)C1(c2cccc(F)c2)CCCC1)c1ccccc1 257230646 GDFMXTKTKNPTIE-HSZRJFAPSA-N 422.544 4.839 0 40 HJAB Cc1ccc2oc(C(=O)NC[C@H]3CC[C@H](c4nnc(-c5ccccn5)o4)CC3)cc2c1 257231790 GIGGMLMGXYAPFC-QAQDUYKDSA-N 416.481 4.890 0 40 HJAB CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3F)o2)[nH]n1 257250985 JOVZVNCANCSTOA-IBGZPJMESA-N 410.493 4.793 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 408678919 KIUAAFCCLFPHAR-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 409003584 SZKLVQYKAWIGOI-FHZYATBESA-N 419.525 4.563 0 40 HJAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)C1=O 409063982 AWQHTEJZKIRWIE-GZTJUZNOSA-N 403.887 4.984 0 40 HJAB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(Br)cc3)n2C)cc1 409198429 AMGPKICQWFYUBZ-VZCXRCSSSA-N 401.329 4.874 0 40 HJAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1C 409380441 DLUMTTXRILNOSB-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB O=C(Cc1cc(F)cc(F)c1)N1CCC[C@@]2(CCCN2Cc2ccc(F)cc2)CC1 585100421 UWTCQTCSJNFMHY-XMMPIXPASA-N 416.487 4.694 0 40 HJAB CCOC(=O)c1cnc(C)c(NC(=O)c2cnc(-c3ccccc3Cl)s2)c1 611252577 FBHKYGPVYOVALM-UHFFFAOYSA-N 401.875 4.596 0 40 HJAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1Cc2ccccc2C2(CC2)C1 681488974 PQLSOHVHQNSJKP-UHFFFAOYSA-N 420.516 4.681 0 40 HJAB Cc1ccc(CSc2nnc(NC(=O)[C@H](C)Oc3ccc(F)cc3)s2)cc1 702359 YBCFQHLJVIKPIA-ZDUSSCGKSA-N 403.504 4.684 0 40 HJAB COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(Nc2ccc(C)c(Cl)c2)C1=O 939173 RYXWZTQKUSZBNQ-UHFFFAOYSA-N 411.672 4.746 0 40 HJAB Cc1ccc(C(=O)CSc2nnc(-c3ccccc3O)n2Cc2ccccc2)cc1 1223740 YKBDMQAKQLWOCP-UHFFFAOYSA-N 415.518 4.982 0 40 HJAB COc1ccc(N(C2=NCCCS2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 1327891 RYLOZVJIGLVQRH-UHFFFAOYSA-N 418.584 4.681 0 40 HJAB COc1cccc(CN2C(=O)[C@@H](C)N(C(=O)c3c(F)cccc3F)c3ccccc32)c1 1385995 NLHBFPZNWYUTOX-OAHLLOKOSA-N 422.431 4.556 0 40 HJAB COc1ccc(C2=CN(S(=O)(=O)c3ccc(C)cc3)CCc3ccccc32)cc1 1639948 WDVSJDPXLKGJDB-UHFFFAOYSA-N 405.519 4.640 0 40 HJAB CC[C@]1(C)Cc2c(sc3nc(SCC(=O)c4ccc(F)cc4)nc(N)c23)CO1 2228771 LYNPVOQNIXQQPJ-HXUWFJFHSA-N 417.531 4.629 0 40 HJAB Cc1c(Cl)cccc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 2641360 IVWPZMVLHCWLCG-JOCHJYFZSA-N 404.897 4.854 0 40 HJAB CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5c(Cl)cnn5C)nc4c23)C1 2797752 FVQRIAMHKYTYNE-NSHDSACASA-N 414.966 4.934 0 40 HJAB O=C(NC[C@@H]1OCCc2ccccc21)c1ccc(NC(=O)c2ccccc2Cl)cc1 3635454 DDWHVNHALOICSG-QFIPXVFZSA-N 420.896 4.636 0 40 HJAB C[C@H](NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2)c1ccccc1 4223203 DBCALZNRLMASGI-QEORTHHSSA-N 404.392 4.627 0 40 HJAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 4614482 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FFHZEKQEOYRNLI-RUZDIDTESA-N 417.528 4.760 0 40 HJAB CCOc1ccc(/C=C2/SC(Nc3ccc(Br)cc3)=NC2=O)cc1 6870274 RHRBXQTZBOLFCF-LFIBNONCSA-N 403.301 4.930 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2Cn2nc(C)n(-c3ccccc3C)c2=S)c1 7316719 PAEYKSZMUAWWNU-OAQYLSRUSA-N 424.570 4.832 0 40 HJAB Cc1cc(Cl)ccc1OCc1nnc(SCc2nnc(-c3ccccc3)o2)o1 7604813 BGFQICMOHWSUQQ-UHFFFAOYSA-N 414.874 4.953 0 40 HJAB COc1ccc(CCNc2nc(-c3ccc(NC(C)=O)cc3)c(C)s2)cc1OC 8225596 UGGHWENPMDUIRG-UHFFFAOYSA-N 411.527 4.749 0 40 HJAB CCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1OCC 8497952 PXDJZPUEEGCTHW-UHFFFAOYSA-N 411.523 4.552 0 40 HJAB CC[C@H](C)Oc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1 9306810 HOIYZDSQXHTABX-INIZCTEOSA-N 401.466 4.997 0 40 HJAB Clc1ccccc1Nc1nc(Nc2ccccc2Cl)nc(N2CCOCC2)n1 9317163 YTUXYCCGMARXIF-UHFFFAOYSA-N 417.300 4.502 0 40 HJAB Cc1nnc2sc(-c3cccc(NC(=O)CSc4ccc(Cl)cc4)c3)nn12 9593272 MHZADKTVOGFUFZ-UHFFFAOYSA-N 415.931 4.545 0 40 HJAB CC(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 11078666 HSLIXTQHBFPSMJ-UHFFFAOYSA-N 424.456 4.900 0 40 HJAB Cc1ccccc1OCCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 11667144 RYZQGJNYNNXOLH-UHFFFAOYSA-N 403.482 4.679 0 40 HJAB COc1ccc2nc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)sc2c1 11807115 HZIYPYGUKCJVNN-UHFFFAOYSA-N 415.421 4.809 0 40 HJAB O=C1c2ccccc2CC[C@H]1[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 12377423 ZHTXYUBDBDHKCN-NLFFAJNJSA-N 417.892 4.520 0 40 HJAB Cc1ccc(OCC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c2c1[C@@H](C)CC2=O 12736722 ZXTZLVCXGVJQEP-KBPBESRZSA-N 405.416 4.960 0 40 HJAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)Cn3cnc4sccc4c3=O)n2)cc1 12755954 BZSJDBIJEOGEPQ-CYBMUJFWSA-N 424.551 4.734 0 40 HJAB O=C(Cn1c(=O)oc2ccccc21)N(c1ccccc1)c1nc2ccccc2s1 12773704 HBEKDMBFZPQVLZ-UHFFFAOYSA-N 401.447 4.569 0 40 HJAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3nnc(C(C)C)s3)cccc2c1=O 12784038 WJEYHRIXWLRJNM-UHFFFAOYSA-N 405.479 4.996 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 12867834 HMMFYCVRXBGUKS-OAHLLOKOSA-N 418.324 4.880 0 40 HJAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1c(C)cccc1C 14117496 ULLNGFPEWPHDOH-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB COc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)c1OC 15081530 GPERPDKXLVXDHU-CQSZACIVSA-N 409.463 4.605 0 40 HJAB COC[C@@H](C)n1c(-c2ccc3c(c2)NC(=O)CO3)cs/c1=N\c1c(C)cccc1C 15910174 CLHATTKVSHAMBP-IEQXMEILSA-N 423.538 4.604 0 40 HJAB COc1ccc(CN(C)Cn2nc(Nc3ccccc3F)sc2=S)cc1OC 16353162 XFLXFPYMKVICNK-UHFFFAOYSA-N 420.535 4.663 0 40 HJAB O=C(CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccc(Cl)cc1 16739629 GMPADOLCRHSJOE-DFBITEFZSA-N 412.898 4.961 0 40 HJAB Cc1c(-c2cc(-c3cnn(C)c3C)n(-c3cc(Cl)cc(Cl)c3)n2)cnn1C 17082140 NGAFGZNFIIPUSJ-UHFFFAOYSA-N 401.301 4.597 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1C 17089601 IDEPTFZZHIMXTP-UHFFFAOYSA-N 413.521 4.518 0 40 HJAB O=C(NCCc1cccc(Cl)c1)C1CCN(C(=O)c2cccc3ccccc23)CC1 18106094 SCBQALKIVYQOKZ-UHFFFAOYSA-N 420.940 4.704 0 40 HJAB O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(CC3CCCCC3)CC[C@@H]21 19405006 CKSRYFQRHKEEQM-VABKMULXSA-N 409.599 4.654 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccs2)C1 19449619 JCJHGZRDGGXCMW-RUZDIDTESA-N 419.594 4.770 0 40 HJAB CCn1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)cn1 19524924 DESUMKVPZYPBQS-HXUWFJFHSA-N 410.518 4.693 0 40 HJAB COc1ccc2c(CN3CCC[C@@H]3c3cc(-c4cnn(C)c4)cc(C)n3)cn(C)c2c1 19690995 CLDFGJLDJJRMHY-XMMPIXPASA-N 415.541 4.628 0 40 HJAB CCn1c(C)nc2cc(NC(=O)CCc3c(C)nn(-c4ccccc4)c3C)ccc21 19717306 SQJZSTVOVPZTOK-UHFFFAOYSA-N 401.514 4.738 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C(C)C)C(C)C)c(Cl)c2)cc1 20488204 IXDJDTDNCMBBOH-UHFFFAOYSA-N 422.978 4.860 0 40 HJAB COc1ccc(Oc2cc(NS(=O)(=O)c3ccc(F)c(F)c3)ccc2OC)cc1 22411359 CJEWWPGTWNWDQG-UHFFFAOYSA-N 421.421 4.575 0 40 HJAB CCCCCOc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCCC3)nc2)cc1 23101151 BKNRYINOJFWJAT-UHFFFAOYSA-N 423.557 4.530 0 40 HJAB Cc1ccccc1-n1cnnc1SC[C@H](O)Cn1c2ccccc2c2ccccc21 25093218 HRWIATNXHGEANV-GOSISDBHSA-N 414.534 4.837 0 40 HJAB CCc1nc(SCC(=O)N[C@H](C)c2ccco2)nc(N)c1-c1ccc(Cl)cc1 25589105 UVPWKTYUQNOEKT-GFCCVEGCSA-N 416.934 4.504 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Br)c2C)c1 28231533 AWTUDCXKJIBWSG-LLVKDONJSA-N 404.230 4.789 0 40 HJAB COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc2c(c1)CCN2C(C)=O 30476569 MEJOCIUWULBLOB-UHFFFAOYSA-N 420.534 4.508 0 40 HJAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1OC 32114772 DAFNZHJVMJOKLH-UHFFFAOYSA-N 419.934 4.604 0 40 HJAB Cc1ccc(N(Cc2ccco2)C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 32493051 LEBCYIATWJBECJ-HXUWFJFHSA-N 420.484 4.813 0 40 HJAB CCCNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(C)cc1)CC2 33766027 SFEATHUNOWXBBD-CYVLTUHYSA-N 414.505 4.713 0 40 HJAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)C1 38771354 GSIIWJQYTMALEW-FQEVSTJZSA-N 419.569 4.797 0 40 HJAB COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 46078577 LLWCIBRAXKPOFE-UHFFFAOYSA-N 400.478 4.849 0 40 HJAB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C(=O)c3ccccc3)n[nH]2)cc1 51315444 FFNJGMLIMVROAN-UHFFFAOYSA-N 411.461 4.959 0 40 HJAB CCN(CC)CCN(Cc1cccs1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 57948735 RBUWTQWYMVETSP-UHFFFAOYSA-N 413.543 4.539 0 40 HJAB CCOc1ccc(N[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1CO 62581345 CEBRRYRPPLQCDC-DEOSSOPVSA-N 420.509 4.687 0 40 HJAB O=C(C1CC1)N1CCCCC[C@H]1C1CCN(Cc2ccc(F)c3cccnc23)CC1 71890539 HWYNSYXOAAVZGU-QHCPKHFHSA-N 409.549 4.767 0 40 HJAB CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2C[C@@H]2O[C@@H]3C[C@H](C)CN[C@H]3[C@@H](C)[C@@H]12 100066880 AROKXPQLAKZWRT-SVBPGUPTSA-N 411.630 4.858 0 40 HJAB COc1cccc(-c2ccc(CN3C[C@@H]4CCC[C@@H](C3)C4(O)c3ccccn3)cc2)c1 100149109 FJFCQFQKWNMMHL-ZEQRLZLVSA-N 414.549 4.877 0 40 HJAB CCNc1c(NC(=O)Nc2cc(Cl)c(OC)cc2OC)c(=O)oc2ccccc12 101094734 MDSAVXFVGSWDCM-UHFFFAOYSA-N 417.849 4.539 0 40 HJAB COc1ccc([C@H]2Nc3nonc3N=C3C[C@@H](c4ccc(F)cc4)CC(O)=C32)cc1 102838096 YERFZHHSRYRNCF-JLTOFOAXSA-N 406.417 4.846 0 40 HJAB CC(=O)OCC[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118928590 SVJXBKQKUHYDPQ-WSLKUVFHSA-N 418.574 4.565 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 219238763 PKURWUSWWPZKCX-JPYJTQIMSA-N 422.569 4.959 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(C)c1 223083792 FSDWHYZHRNUBBG-ZWKOTPCHSA-N 400.950 4.523 0 40 HJAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 223405300 WIYSSPUGYUWQAX-DEOSSOPVSA-N 420.940 4.789 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3C)cc2C)cc1 224009799 NCBWVGIEFUZOHX-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 224292332 SGEJHFNUMCJPHN-UHFFFAOYSA-N 419.477 4.930 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1c2ccccc2C[C@@H]1C 224320242 GQDSERQXEGCKSF-UQBPGWFLSA-N 406.570 4.680 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(CC)cc1 224345033 MLZXLVISLAPKTQ-QFIPXVFZSA-N 414.977 4.779 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1C 225025595 BNAOLCHFNXBWNH-IQJJTXKVSA-N 402.494 4.853 0 40 HJAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)ccc21 225098023 VNVBAPQMSWMMRQ-CYBMUJFWSA-N 404.919 4.759 0 40 HJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(CC)cc1 225448033 RBENMBXQWFDEJV-DEOSSOPVSA-N 408.586 4.558 0 40 HJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 225449076 SLNGOTLFEZBZCQ-QFIPXVFZSA-N 414.977 4.649 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 225451878 VGWYXMCDGJGWNE-MOPGFXCFSA-N 414.977 4.647 0 40 HJAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(C)C)C1=O 408600071 STSOZXUKECSHBU-UDWIEESQSA-N 424.522 4.705 0 40 HJAB CCCOc1ccc(/C=C2\S[C](Nc3cc(Cl)ccc3OC)NC2=O)cc1 408809856 SHRCUHSKVJXISS-UHFFFAOYSA-N 403.911 4.900 0 40 HJAB CCCCOc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(OC)cc3)n2C)cc1 409207198 QISSUJLRYFGDGK-VHXPQNKSSA-N 410.539 4.991 0 40 HJAB Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@H]1Cc2ccccc21 615891009 BUBSKWMKAVNADJ-MRXNPFEDSA-N 414.336 4.795 0 40 HJAB CC(C)CCNC(=O)c1ccc2c(c1)CNCCCCCCCN2C(=O)C(C)C 643583766 KXEWBTGZDZNQJK-UHFFFAOYSA-N 401.595 4.505 0 40 HJAB Oc1nc(CCc2nc(C3(c4ccc(F)cc4)CCCCC3)no2)nc2ccccc12 671154860 PEALNJZMVJAEOQ-UHFFFAOYSA-N 418.472 4.893 0 40 HJAB COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 1416478 UBMUWCPSQBYKMM-CXUHLZMHSA-N 405.834 4.502 0 40 HJAB CCCCOC(=O)c1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1 2113440 WKCTZJJIOIGIKF-UHFFFAOYSA-N 419.477 4.595 0 40 HJAB biogenic CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)c12 2147221 WBHNOPSYPKVOAK-MRXNPFEDSA-N 417.502 4.653 0 40 HJAB biogenic Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1CCC1=CCCCC1 2253807 YQDMGJOJDABLOT-UHFFFAOYSA-N 403.530 4.730 0 40 HJAB CCOC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@@H](C(=O)OCC)[C@@H]1c1ccco1 2359797 KQEGCJRLMNRRQP-IRLDBZIGSA-N 409.482 4.740 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(OC)c2)n1CC 2452652 ALSHFSBYBIUZBK-UHFFFAOYSA-N 410.543 4.575 0 40 HJAB Cc1cc(C)n(Cc2ccc(-c3nc4c5c6c(sc5ncn4n3)C[C@H](C)CC6)o2)n1 2789724 RIBDCIODNFLISV-GFCCVEGCSA-N 418.526 4.585 0 40 HJAB O=C(N[C@@]1(C(Cl)(Cl)Cl)Oc2ccc(Cl)cc2O1)c1ccccc1F 3175401 PKLOZGYRJMQMST-HNNXBMFYSA-N 411.043 4.704 0 40 HJAB CC1(C)Cc2ccccc2C2=CC(C(F)(F)F)=CC(=C3C=C([N+](=O)[O-])C=CC3=O)N21 3771096 OBVSAKURNDJODP-UHFFFAOYSA-N 414.383 4.720 0 40 HJAB O=c1c2oc3ccccc3c2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccccc1 4315882 RDNJCLMKVHODSF-UHFFFAOYSA-N 416.864 4.659 0 40 HJAB CCCCC(C(=O)OCC)(C(=O)OCC)[C@@H](C)CC(=O)Nc1ccccc1Cl 5024970 QTUKCULTLKOMAM-HNNXBMFYSA-N 411.926 4.608 0 40 HJAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 5420318 ZVWPEGBEYMFSLD-QHCPKHFHSA-N 404.535 4.892 0 40 HJAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2cccc(F)c2)cc1 5752459 KAXNUZPTAZJRGA-QHCPKHFHSA-N 404.441 4.591 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C(=O)N(CC)CC)c1C 6046321 MYLLYBPZGPALPI-UHFFFAOYSA-N 422.934 4.621 0 40 HJAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1OC(C)C 6345905 DKTAGBAJTGWQPR-JAIQZWGSSA-N 408.479 4.591 0 40 HJAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2N2CCCC2)cc1 6647145 ILXNPWCSJVQSAT-UHFFFAOYSA-N 405.498 4.652 0 40 HJAB CCN(C(=O)CCc1cc(OC)c(OC)c(OC)c1)c1nc2c(C)cccc2s1 6649901 JYOVPZFQXQXROT-UHFFFAOYSA-N 414.527 4.616 0 40 HJAB CCn1c(SCC(=O)N2CCC(c3nc4ccccc4o3)CC2)nc2ccccc21 6974769 YPPIPHAVTFKJFI-UHFFFAOYSA-N 420.538 4.696 0 40 HJAB Cc1c(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)oc2ccc(Cl)cc12 7450073 KCRNQSQAZBWZEG-UHFFFAOYSA-N 402.922 4.649 0 40 HJAB Cc1ccc(C)c(C(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)c1 8188660 DDXHJXZOFSXXSO-MRXNPFEDSA-N 412.534 4.621 0 40 HJAB Cc1cc(CSc2ccccc2C(=O)Nc2cccc(N3CCCC3=O)c2)no1 8267407 KASRWBZPDGZURV-UHFFFAOYSA-N 407.495 4.654 0 40 HJAB CCOCCCn1c(S[C@@H](C)C(=O)c2cc(C)ccc2C)nc2ccccc2c1=O 8283433 XKCKEQKGJISOIJ-SFHVURJKSA-N 424.566 4.803 0 40 HJAB CC1=C(C(=O)Nc2cc(C)ccc2C)[C@H](c2cccc3ccccc23)NC(=S)N1 8969769 ZKQKNNNIABOYIB-QFIPXVFZSA-N 401.535 4.888 0 40 HJAB CCCOc1c(Br)cc(C(=O)N[C@@H](C)c2ccccc2OC)cc1OC 8985114 FIYXKAAOUFLFMA-ZDUSSCGKSA-N 422.319 4.746 0 40 HJAB O=C(Nc1ccc(Br)cc1)c1ccccc1OCc1cn2ccccc2n1 9335878 HRGCQZPGMCZRFP-UHFFFAOYSA-N 422.282 4.928 0 40 HJAB O=C(c1cc2ccccc2o1)N1CCN=C1SCc1ccc(Br)cc1 9381043 UJDGRKTWCRHHED-UHFFFAOYSA-N 415.312 4.941 0 40 HJAB O=C(Cc1csc(-c2cccnc2)n1)N1CCC[C@H]1c1nc2ccccc2s1 9583339 GLJRDGLNKMHFOG-KRWDZBQOSA-N 406.536 4.721 0 40 HJAB COc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccc(F)cc4)nc3C2)cc1OC 10156659 HOOLKODHBREFHZ-HNNXBMFYSA-N 407.445 4.598 0 40 HJAB CC[C@@H](C(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1)c1ccccc1 11414817 PXNINEKJDBYQMW-LJQANCHMSA-N 408.523 4.870 0 40 HJAB COc1cc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc(OC)c1OC 12321980 BQLYWFOABWVJBK-UHFFFAOYSA-N 402.447 4.536 0 40 HJAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 12521960 PKMGMNUTKUDDHG-UHFFFAOYSA-N 409.917 4.913 0 40 HJAB Cc1ccc(SCCC(=O)OCC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 12818980 PZCAOAQZQGNPMQ-KRWDZBQOSA-N 415.580 4.938 0 40 HJAB Cc1c(C(=O)N2c3ccccc3NC(=O)C2(C)C)oc2ccc(Br)cc12 12874001 CTRAUHQWIBTJTN-UHFFFAOYSA-N 413.271 4.881 0 40 HJAB Cc1ccc(NC(=O)c2cc(C)n([C@H]3CN4CCC3CC4)c2C)cc1C(F)(F)F 12908909 BJGMNRRTSUTDJF-FQEVSTJZSA-N 405.464 4.951 0 40 HJAB COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 13228277 MNZUZRCRFJAJKS-JOCHJYFZSA-N 412.445 4.563 0 40 HJAB Cc1cccc(NC(=O)CCc2nc3ccccc3n(CCc3ccccc3)c2=O)c1 14141876 ZEWNBWUVMBCKAR-UHFFFAOYSA-N 411.505 4.519 0 40 HJAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-c2ccc(F)cc2)o1 14186478 DFZBOGNFPMVZCI-UHFFFAOYSA-N 420.362 4.815 0 40 HJAB O=C(Nc1ccc(Br)cc1)c1ccc(OCc2cn3ccccc3n2)cc1 15629002 NZSOBAQLVPIPRD-UHFFFAOYSA-N 422.282 4.928 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc(Cl)cc2)c(OC)c1 15829364 RFKXPUQKFLGWIO-LJQANCHMSA-N 401.890 4.684 0 40 HJAB CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)cc4)nccn3n2)cc1 16841629 RLAVIHYQEVXAQZ-UHFFFAOYSA-N 406.486 4.829 0 40 HJAB Cc1c(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cccc1C(=O)O 20139817 BGOORKMAPODTLW-UHFFFAOYSA-N 400.228 4.968 0 40 HJAB COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)c1 21579557 RTSCPLJABAWUJJ-UHFFFAOYSA-N 421.453 4.769 0 40 HJAB CCCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCc2cccs2)c(OC)c1 22111520 WXXOYMUCZQKFJE-UHFFFAOYSA-N 424.979 4.939 0 40 HJAB COc1ccccc1[C@H](CNC(=O)c1sc(-c2ccccc2)nc1C)N1CCCC1 22609234 MHDYNMVFVXDCKF-FQEVSTJZSA-N 421.566 4.694 0 40 HJAB Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCC[C@@H](C)C3)c(O)n2n1 22626104 OPVYREZVZZSPSR-BMIGLBTASA-N 411.358 4.933 0 40 HJAB COc1ccc([C@@H](CNCc2csc(-c3ccc(Cl)cc3)n2)N(C)C)cc1 22816520 LMXSAPUBLJNPOH-HXUWFJFHSA-N 401.963 4.865 0 40 HJAB CC(=O)c1ccc(C(=O)N(CCn2cccn2)c2nc3c(C)cc(C)cc3s2)cc1 23144852 FXZBWWYYTYFCEG-UHFFFAOYSA-N 418.522 4.659 0 40 HJAB COc1ccc(C(=O)Nc2ccc(-n3nc(C)c(Br)c3C)cc2)cc1 27924812 OKMIAGFQOJDVNU-UHFFFAOYSA-N 400.276 4.513 0 40 HJAB CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 29121798 LOPAOHRPUAQUNW-UHFFFAOYSA-N 407.539 4.996 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)NC1CCC(C(F)(F)F)CC1 29614897 LZNXSVVAIHMLPN-UHFFFAOYSA-N 413.465 4.830 0 40 HJAB CC(C)(C)c1nc2ccc(NC(=O)c3ccc(CSc4ncn[nH]4)cc3)cc2[nH]1 32753556 KDIMIXYZVFPREF-UHFFFAOYSA-N 406.515 4.523 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1CSc1nc2ccccc2[nH]1 32973870 IAUPHVDYVVVKFS-UHFFFAOYSA-N 417.490 4.879 0 40 HJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nnc(COc2ccc(F)cc2)o1 35529353 QEKXDJQPNFZQFT-FHLIZLRMSA-N 422.522 4.884 0 40 HJAB COc1cc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)cc(OC)c1OC 36360877 LIQPKEQDZCSGDD-UHFFFAOYSA-N 416.477 4.968 0 40 HJAB COc1ccc(OC)c(NC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c23)c1 36613619 WXJOOJPQSZRQRB-UHFFFAOYSA-N 407.401 4.607 0 40 HJAB CCOC(=O)c1cc2cc(NC(=O)Cc3csc(-c4ccccn4)n3)ccc2s1 40082357 JKCXVECADXTUSE-UHFFFAOYSA-N 423.519 4.778 0 40 HJAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccnc1SCc1ccc(F)cc1 40130598 ZXFPHJBRCGGUCW-UHFFFAOYSA-N 421.497 4.892 0 40 HJAB CCc1cccc(NC(=O)Cn2c3ccccc3n3c(=O)cc(-c4ccccc4)nc23)c1 40484866 HWNSMEPECJLTKO-UHFFFAOYSA-N 422.488 4.517 0 40 HJAB CCOc1ccc(CCNC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1OCC 57413569 ORGOTENDCQTZQK-UHFFFAOYSA-N 413.905 4.500 0 40 HJAB CS(=O)(=O)c1ccc(O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 57652149 WHCPUBYWGPKQCY-QHCPKHFHSA-N 405.475 4.574 0 40 HJAB O=C(Nc1cccc(C(=O)NC2c3ccccc3Oc3ccccc32)c1)c1cccnc1 58343582 QNSXWQMXRLGLRM-UHFFFAOYSA-N 421.456 4.959 0 40 HJAB CCOc1ccccc1Nc1c(C(=O)N2CCSCC2)cnc2ccc(F)cc12 64471697 OYLKNOGXSIVLAU-UHFFFAOYSA-N 411.502 4.705 0 40 HJAB O=C(CCC1CCCC1)N1CCC[C@H](c2nnc(-c3nccc4ccccc34)o2)C1 72390120 FADUKSUBZZZCFG-IBGZPJMESA-N 404.514 4.961 0 40 HJAB O=C1CCCN1c1ccc(CNc2ncc(-c3ccncc3)c(-c3ccco3)n2)cc1 72396550 PODHBIOPUNKPJF-UHFFFAOYSA-N 411.465 4.538 0 40 HJAB O=C(O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1 95067842 OMOBIVNVBIPQNK-UHFFFAOYSA-N 403.843 4.631 0 40 HJAB CC(C)(C)OC(=O)N1CCN(c2cc(Br)ccc2C(F)(F)F)CC1 95081658 MZGKNXXLPOCWCA-UHFFFAOYSA-N 409.246 4.525 0 40 HJAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 101316697 TZSDXMFLPZMOMW-SNTCSEMISA-N 401.934 4.637 0 40 HJAB CCc1nc(S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)O)n[nH]1 209156522 AAXSXOJFLCAQIK-PTNGSMBKSA-N 403.548 4.886 0 40 HJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 219384470 RRVREPJDAZUBFE-GOSISDBHSA-N 409.935 4.553 0 40 HJAB O=C(COc1cccc(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 222766294 NOOHMLIZJXMERD-UHFFFAOYSA-N 420.940 4.653 0 40 HJAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1C 223416094 AKUALPQSGYPHRS-UHFFFAOYSA-N 414.549 4.671 0 40 HJAB CCCC[C@H](CC)CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 223539621 HJRATYVSJUEQQF-FQEVSTJZSA-N 416.587 4.523 0 40 HJAB Cc1ccc(C(=O)NCCC2CCCCCC2)cc1NS(=O)(=O)c1ccccc1 224045971 YBCSXHIQCHTFCB-UHFFFAOYSA-N 414.571 4.886 0 40 HJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)ccc1NC(=O)C(C)C 224077540 NJNIWBXMMXXOPJ-SFTDATJTSA-N 420.538 4.755 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 224397248 SGSRRWOBUCCKLY-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 224665585 CMUFDQWROGMZFQ-OAQYLSRUSA-N 422.569 4.712 0 40 HJAB Cc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224725845 XZONTMCSDOAJAX-NRFANRHFSA-N 406.570 4.712 0 40 HJAB CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224807352 BFCHDBMTRYKGBS-UHFFFAOYSA-N 423.840 4.591 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 224975451 NGQDLLFPGIJISQ-UXHICEINSA-N 412.599 4.560 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 225513252 OVXXHTYHFFIBBE-XUZZJYLKSA-N 408.586 4.876 0 40 HJAB Cc1ccc(C)c(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)c1 225818470 CWWFOXZQWRGAGT-UHFFFAOYSA-N 400.276 4.687 0 40 HJAB Cc1nn(CCNC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1-c1ccccc1 238953548 XLHFJEAJFUAQCJ-UHFFFAOYSA-N 402.420 5.007 0 40 HJAB CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C2CCC2)CC1 257235296 GXFRMCUWQOCBCS-UHFFFAOYSA-N 422.544 4.580 0 40 HJAB COc1cc(C)ccc1OCC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257267517 MHQACRNJJRPLGU-NRFANRHFSA-N 420.509 4.715 0 40 HJAB COc1cccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4cc(C(C)C)n[nH]4)C3)c2)c1 257321654 WCPGAWYSIKYRBK-LJQANCHMSA-N 418.541 4.932 0 40 HJAB COCCN1C(=O)S/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)C1=O 408602488 OSIXFNIEKBSIQO-WQRHYEAKSA-N 421.877 4.741 0 40 HJAB Cc1cccc(NC(=O)COc2ccc(Cl)cc2CNc2cccc(C(=O)O)c2)c1 408602920 BLIYJXXZFLEEQX-UHFFFAOYSA-N 424.884 4.976 0 40 HJAB CCCN(CCC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC(C)C 409211578 OHJPEDUMMCJXEL-UHFFFAOYSA-N 408.999 4.995 0 40 HJAB C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc(F)cc1 682895 GDDMFGJMPGEBRD-VIFPVBQESA-N 417.072 4.757 0 40 HJAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)C(F)(F)F)cc2c1 1359232 ANPFEUHFJDVDKN-UHFFFAOYSA-N 408.807 4.581 0 40 HJAB CS(=O)(=O)N(Cc1ccccc1Br)c1ccc2c3c(cccc13)CC2 2194573 NUIXMSXBKGAGTH-UHFFFAOYSA-N 416.340 4.667 0 40 HJAB O=C(O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 2396719 MPYFDCPGUPNQDK-LJQANCHMSA-N 414.436 4.950 0 40 HJAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3cccs3)c3cc(Cl)ccc32)cc1 2493138 IJULUJMRELJESK-QFIPXVFZSA-N 411.910 4.717 0 40 HJAB COc1ccc(NC(=S)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)c(OC)c1 2740955 ZYPCGXZXXXUXKH-UHFFFAOYSA-N 416.934 4.719 0 40 HJAB FC(F)Oc1ccccc1[C@H]1C[C@H](c2cccc(Br)c2)Nc2ncnn21 2918218 ORFFTVRLIRPJRA-HUUCEWRRSA-N 421.245 4.788 0 40 HJAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 3318921 MLLFCGYYLGTVFU-UHFFFAOYSA-N 415.489 4.512 0 40 HJAB CCOc1ccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1OCC 3334367 ZNTSLNKVIIAASK-UHFFFAOYSA-N 419.477 4.947 0 40 HJAB COc1cccc(CC(=O)OCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)c1 3415565 WXRCWECOFRKAMW-DEOSSOPVSA-N 408.425 4.728 0 40 HJAB COc1ccc([C@H](CNC(=S)Nc2ccc(F)c(Cl)c2)N2CCCC2)cc1 3432443 NSCZSKKTSZWHOS-IBGZPJMESA-N 407.942 4.611 0 40 HJAB COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)o1 3615907 HTZGPKOZPOUQQS-GHRIWEEISA-N 400.434 4.896 0 40 HJAB COc1ccc(C(=O)[C@H](OC(=O)CCC(=O)c2ccccc2)c2ccccc2)cc1 4030016 SHWSQOUBSYDQBC-RUZDIDTESA-N 402.446 4.826 0 40 HJAB biogenic Cc1c([C@@H](C)[C@H]2NC[C@@H](C)C[C@H]2O)ccc2c1C[C@@H]1[C@@H]2CC=C2C[C@@H](O)CC[C@@]21C 4429987 MALFODICFSIXPO-SFJYOXRKSA-N 409.614 4.595 0 40 HJAB in-vitro Cc1coc2cc3oc(=O)c(CCC(=O)NCCc4ccc(F)cc4)c(C)c3cc12 4743734 QPUNMZYUWINDND-UHFFFAOYSA-N 407.441 4.587 0 40 HJAB Cc1ccc(C(=O)c2c(NC(=O)CN3CCCCCC3)sc3c2CCCC3)cc1 4847622 GMQGGAMVLRAGKX-UHFFFAOYSA-N 410.583 4.981 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1cccc2ccccc12 5455383 KPSOITUVSVTJRJ-UHFFFAOYSA-N 422.550 4.504 0 40 HJAB CC(=O)N1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccccc3Cl)=NN12 5477950 LYNRGLALGIJLOM-NRFANRHFSA-N 409.917 4.531 0 40 HJAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(C(=O)O)cc1 5520825 RMDNQSAIPZEXHJ-UHFFFAOYSA-N 404.344 4.872 0 40 HJAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 6176922 NOZVGCLJIWXMLN-UHFFFAOYSA-N 414.571 4.719 0 40 HJAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2C(N)=O)C1 6201407 KRPJSHRQZJRMCH-OAHLLOKOSA-N 420.534 4.803 0 40 HJAB CSc1ccc(CN(C)CC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)cc1 6606919 OCVQCURVJFSVCE-UHFFFAOYSA-N 414.962 4.533 0 40 HJAB CCc1noc(C)c1C(=O)OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 6786695 UJDZOSKFDJXRHA-UHFFFAOYSA-N 414.845 4.787 0 40 HJAB Cn1c(COc2ccccc2Cl)nnc1SCCOc1ccc(Cl)cc1 7236069 BVYBYAUXVCJCKD-UHFFFAOYSA-N 410.326 4.872 0 40 HJAB COc1cc(CN(C)[C@@H](C)C(=O)Nc2ccccc2)ccc1OCc1ccccc1 8310272 KTEKEKGGWIYASY-IBGZPJMESA-N 404.510 4.733 0 40 HJAB CC(=O)Nc1ccc(NC(=O)Cc2csc(SCc3ccc(F)cc3)n2)cc1 8854247 NWCCIOICXHVGRD-UHFFFAOYSA-N 415.515 4.714 0 40 HJAB CC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(Br)cc3)cc12 8870301 FHZKLIIMHLWEND-UHFFFAOYSA-N 422.300 4.816 0 40 HJAB O=C(Cn1c(NCc2ccccc2)nc2ccccc21)Nc1ccc(OC(F)F)cc1 9670549 DQTHFLAIUVMMOQ-UHFFFAOYSA-N 422.435 4.889 0 40 HJAB COc1ccccc1[C@H]1CC(=O)c2nnc3c(-c4ccccc4)c(C(C)C)nn3c2C1 10156951 CPRKDTVSZUDFRB-QGZVFWFLSA-N 412.493 4.836 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2C)cc1 10264452 XJPPTWMTMNNSJB-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB Cc1nnc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2C)CCCC4)o1 12817178 DPTXNJJRFARYEL-UHFFFAOYSA-N 424.551 4.618 0 40 HJAB CCc1ccc(OCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1 15833701 DOIJFMTYBODBKQ-UHFFFAOYSA-N 417.509 4.933 0 40 HJAB Cc1ccccc1NC(=O)CSC1=NC(c2ccccc2)=NCN1c1ccccc1 15860591 LPWNUPYZJBLPKE-UHFFFAOYSA-N 414.534 4.947 0 40 HJAB Cc1c(S(=O)(=O)c2ccccc2)c(-c2ccccc2)c2cc(Cl)ccc2[n+]1[O-] 16249276 IKKQPFPVNMNPFJ-UHFFFAOYSA-N 409.894 4.935 0 40 HJAB O=C(COc1ccccc1)Nc1nc(C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cs1 16778711 WXMDGVMKMHDJPE-XFKLWTPLSA-N 402.947 4.990 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3C)C2)c2ccccc12 16884436 JIPKGYUQNNHPQW-KRWDZBQOSA-N 420.484 4.787 0 40 HJAB O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 17156413 XTVLPFDIGFMGPX-UHFFFAOYSA-N 418.927 4.966 0 40 HJAB COc1ccc(N/C=C2/C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)cc1 18082987 YOQGIXJGBPOWBB-XMHGGMMESA-N 404.853 4.989 0 40 HJAB Cc1ccc(C(=O)COc2ccc(Cl)cc2N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 18243927 BZFIDLSMIYHAND-ROUUACIJSA-N 411.885 4.590 0 40 HJAB CC(=O)N[C@@H](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(F)cc1 19020029 BCUWZSGMVMRNGF-XUZZJYLKSA-N 422.525 4.629 0 40 HJAB COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1C 19577333 SLWQLUZMKVLMLA-XUZZJYLKSA-N 423.601 4.823 0 40 HJAB O=C(NCCCN1CCCCCC1)c1ccc(OCCSc2ccccc2)cc1 19933370 XXEJFUCOPWQXBM-UHFFFAOYSA-N 412.599 4.854 0 40 HJAB CN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccccc2Cl)S1(=O)=O 20063406 WHSPLJLQDHADHT-UHFFFAOYSA-N 424.909 4.518 0 40 HJAB O=c1[nH]c(=S)n(-c2ccccc2Cl)c2c1CN(Cc1ccccc1Cl)CN2 20567703 UMGVOWHPUYBODB-UHFFFAOYSA-N 419.337 4.587 0 40 HJAB CSC1=NC2(CCN(C(=O)Nc3ccccc3)CC2)N=C1c1ccc(C)c(C)c1 20578137 OOJBEOAXZHINSO-UHFFFAOYSA-N 406.555 4.892 0 40 HJAB Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(Cc2ccco2)C3=O)c(O)c1 20868160 YJWWECWHAXFVGY-QHCPKHFHSA-N 417.440 4.877 0 40 HJAB Cc1ccc(-c2nn(CN3CCN(Cc4ccc(Cl)cc4)CC3)c(=S)o2)cc1 22918080 DRVIWJPWDJMLHO-UHFFFAOYSA-N 414.962 4.610 0 40 HJAB Cc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1C 26892226 QMHIEEWTOGXGNA-XMMPIXPASA-N 415.489 4.838 0 40 HJAB CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1C 27746725 XOBVUZZPFYFIQU-AWEZNQCLSA-N 415.877 4.812 0 40 HJAB O=C(CSc1ncnc2ccccc12)N1N=C(c2ccco2)C[C@@H]1c1cccs1 32671906 VSHRROVHTSBJFF-QGZVFWFLSA-N 420.519 4.754 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCCCC[C@@H]1c1cccn1C 32841742 OISQYVMLYYYLOF-DNVCBOLYSA-N 405.336 4.699 0 40 HJAB COc1ccc(C)cc1NC(=O)c1sc2nc3cc(OC)c(OC)cc3cc2c1N 35288903 ANMVNALKRLGLIK-UHFFFAOYSA-N 423.494 4.618 0 40 HJAB Cc1ccccc1C(=O)NCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1C 35339715 FIJYKTAFBJNQBR-UHFFFAOYSA-N 421.353 4.653 0 40 HJAB Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(-c2cc(Cl)cc(Cl)c2)n1 36611646 BSUAMSDRHYIAAD-UHFFFAOYSA-N 401.301 4.597 0 40 HJAB Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1NS(=O)(=O)c1ccccc1 38756000 MONMIBMEKSSGHX-JOCHJYFZSA-N 420.534 4.603 0 40 HJAB COc1ccc(OC)c([C@H](C)NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1 39981686 OXQJPMMCQJKTOU-NSHDSACASA-N 418.852 4.951 0 40 HJAB Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)nn2)cc1C 48990667 URKCESDHMAWBHP-HSZRJFAPSA-N 418.585 4.984 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)cc2F)nc2ccccc2c1=O 51357414 RCCMLJGIVDVGOW-UHFFFAOYSA-N 419.909 4.576 0 40 HJAB CCOC(=O)c1cnc2c(C(=O)O)cccc2c1Nc1ccc(N(CC)CC)cc1 55408431 RTKJGMVHRRJNAF-UHFFFAOYSA-N 407.470 4.700 0 40 HJAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1 58645365 WRRYHMANPKAWCZ-UHFFFAOYSA-N 408.523 4.636 0 40 HJAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 72359908 INHJMJVICMPJHC-IBGZPJMESA-N 407.543 4.590 0 40 HJAB CN(CCCC(=O)N1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1)c1ccccc1 72380422 FUOPSDHXPZRRAP-HXUWFJFHSA-N 420.532 4.838 0 40 HJAB CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 78951097 XEQAEZHHHSCCKJ-UHFFFAOYSA-N 417.889 4.638 0 40 HJAB COc1cc([C@H]2SCC(O)=Nc3ncn(-c4cccc(Cl)c4)c32)ccc1O 95480108 PANYBFHBOXAZDM-GOSISDBHSA-N 401.875 4.664 0 40 HJAB CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 96053473 NBYLPEYVDGTPQM-NRFANRHFSA-N 424.560 4.985 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cccc(OC(F)F)c2)S1 96117956 HLYYHQLIGMENQV-BBRMVZONSA-N 423.485 4.794 0 40 HJAB c1ccc([C@@H]2CCN(CCc3nn4c(-c5cc6ccccc6o5)nnc4s3)C2)cc1 96194459 VSAJFDHXTQTLNB-GOSISDBHSA-N 415.522 4.631 0 40 HJAB COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N2CCOCC2)cc1 98003016 WRUWOPHVDAHGQH-ZPHPHTNESA-N 414.505 4.593 0 40 HJAB CC[C@]1(C(=O)c2ccccc2)[C@@H]2c3ccccc3OC(=O)[C@]21C(=O)Nc1ccccc1 103303630 OEJZGHBJYQRMAI-RMUDUWAUSA-N 411.457 4.607 0 40 HJAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OC(C)=O 106687310 JICVWPZDYKTFLW-ZDLGFXPLSA-N 417.870 4.510 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cccc(F)c3)cc2)cc1 107601585 BBYXVLVYIZAJJR-UHFFFAOYSA-N 412.486 4.506 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@H]2C[C@@H](C)CC[C@H]2C1=O 136693977 FWBRIGFKXOWWDM-XCRHUMRWSA-N 410.901 4.826 0 40 HJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(N(C)C)cc3)N21 222705837 CKSCOSJHZYSXLO-JJEOQYAHSA-N 417.582 4.918 0 40 HJAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)ccc1Cl 222844376 IERZULMPLHVALF-OAHLLOKOSA-N 412.873 4.577 0 40 HJAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)ccc1C 223801507 ZDURXCWLZIJHMO-UHFFFAOYSA-N 413.520 4.734 0 40 HJAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224077045 NRDKPVZYWPZXNB-FQEVSTJZSA-N 408.586 4.513 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1C 224838600 AQTXFTSCAJHZIZ-FQEVSTJZSA-N 424.560 4.851 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 225193157 SOCWDSPMPNGKIC-NRFANRHFSA-N 400.950 4.525 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 225513222 OVXXHTYHFFIBBE-ZJSXRUAMSA-N 408.586 4.876 0 40 HJAB CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl 226855558 MJLAGZQWLDNZLZ-UHFFFAOYSA-N 402.299 4.687 0 40 HJAB O=C(c1ccccc1CN1CCCCC1)N1CC[C@H](Cc2cccc3cccnc23)C1 257211550 BZHZTTFQVOGPIH-OAQYLSRUSA-N 413.565 4.926 0 40 HJAB CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)[C@@H]3Cc2ccccc2)[nH]n1 257248599 JEJHSKXBPKFBPZ-CAIUVPPLSA-N 420.601 4.622 0 40 HJAB CC(C)C[C@]1(O)CCN(C(=O)c2ccccc2Cl)C[C@@H]1Oc1cccc(F)c1 257263623 LQTZHCRZORPJMH-RBBKRZOGSA-N 405.897 4.550 0 40 HJAB CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 408545356 KUSSWFFCEATCOV-UHFFFAOYSA-N 408.951 4.678 0 40 HJAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 408670466 QFONJXNNOQJMCM-NSHDSACASA-N 416.688 4.904 0 40 HJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1c(F)cccc1Cl 408703671 WKKILGRANUSYGQ-LJQANCHMSA-N 411.926 4.695 0 40 HJAB O=C(O)[C@H]1CS[C@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N1 408817239 XKIRALXPLLJYTM-SJLPKXTDSA-N 407.322 4.785 0 40 HJAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(F)cc2)cs1 620234551 JLJLJEWVRCVMOP-UHFFFAOYSA-N 401.406 4.942 0 40 HJAB COc1ccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)c(OC)c1 670417820 LBBONIDOVZGBRJ-UHFFFAOYSA-N 417.505 4.972 0 40 HJAB CC1(C)C[C@@]2(CCCN2C(=O)c2cccnc2C(F)(F)F)CN1c1cccc(F)c1 2037988444 JEBNOIHRHWCNID-NRFANRHFSA-N 421.438 4.903 0 40 HJAB CC(C)S(=O)(=O)N1CCC([C@H]2CCCCN2Cc2ccc3ccccc3c2)CC1 2056225146 FGQAKNSMFPLZTN-XMMPIXPASA-N 414.615 4.645 0 40 HJAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(F)cc3)cc2c1 1359566 FXWBHYJUVXOHMI-UHFFFAOYSA-N 404.441 4.720 0 40 HJAB CC(=O)N1CCc2cc(-c3nc(NC(=O)c4ccccc4Cl)sc3C)ccc21 1365551 BHTLJVHSPMYBTA-UHFFFAOYSA-N 411.914 4.933 0 40 HJAB CCCC(=O)N1CCc2cc(-c3csc(NC(=O)Cc4ccccc4)n3)ccc21 1365713 ZKSZCQBRRIOISO-UHFFFAOYSA-N 405.523 4.681 0 40 HJAB COc1ccc(OC)c(Cn2c(-c3cc(OC)ccc3OC)nc3ccccc32)c1 1447794 LOEHHJPWJMSODW-UHFFFAOYSA-N 404.466 4.786 0 40 HJAB COCCN(CCOC)c1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 1773052 PBOHEFVYHZHAJO-UHFFFAOYSA-N 406.313 4.703 0 40 HJAB CCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccs1 2419771 NUZOPDZPVYEGED-UHFFFAOYSA-N 410.524 4.798 0 40 HJAB CCCCOc1ccccc1C1C(C(=O)OCC)=CN(C(C)C)C=C1C(=O)OCC 2796771 CGBODQIDMDBFHE-UHFFFAOYSA-N 415.530 4.567 0 40 HJAB O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1cc(C(F)(F)F)ccc1Cl 2799583 UKOYIARPDRBQJB-UHFFFAOYSA-N 411.733 4.702 0 40 HJAB Cc1ccc(C)c(NC(=O)O[C@H](C)CNC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1 3039471 ICXMOYCZBCELQD-CPUCHLNUSA-N 413.345 4.948 0 40 HJAB COc1cc(-c2nc3scc(-c4ccc(C)cc4C)c3c(=O)[nH]2)cc(OC)c1OC 3342410 HLOFFSZZXUFQFQ-UHFFFAOYSA-N 422.506 4.961 0 40 HJAB COc1ccc(NC(=O)[C@H](Sc2nnc3ccccn23)c2ccccc2)cc1Cl 3355306 FKCZDNSJJIAWNZ-LJQANCHMSA-N 424.913 4.863 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc2ccccn12)c1ccccc1 3496171 GEVDDXSPLOTTKQ-FQEVSTJZSA-N 404.495 4.518 0 40 HJAB CC[C@H](C)NC(=S)N(CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O 4161948 VIDJFMGHRFRLLE-IBGZPJMESA-N 421.610 4.863 0 40 HJAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccccc1Br 4305089 PPPVZDDNONISST-IBGZPJMESA-N 411.299 4.576 0 40 HJAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(F)cc2)no1 5163270 CACORSXKIAVBMO-GOSISDBHSA-N 410.788 4.632 0 40 HJAB COc1cc(/C=C/C(=O)Nc2nc3ccc(Cl)cc3s2)cc(OC)c1OC 5512827 QCUHUGFJFQSIMO-QPJJXVBHSA-N 404.875 4.627 0 40 HJAB COc1ccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccccc2)c(OC)c1 5625606 XDYXRHUNZGDKQD-XMMPIXPASA-N 411.461 4.844 0 40 HJAB CCCCOc1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1 6323351 YLCPOTGUFWUFAS-UHFFFAOYSA-N 411.527 4.564 0 40 HJAB Cc1ccc(-n2c(SCC(=O)NCc3cccs3)nnc2-c2ccoc2C)cc1 6548691 MXSBMTRMDLRBKY-UHFFFAOYSA-N 424.551 4.614 0 40 HJAB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC#N 6844830 VIWBKNQJDUHUHB-WOJGMQOQSA-N 414.870 4.882 0 40 HJAB CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC)c1 7261981 PMAQOBKECVSWTC-JOCHJYFZSA-N 421.493 4.554 0 40 HJAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(F)cc1Br 7448650 WEZFQTIRVPBKFQ-UHFFFAOYSA-N 405.311 4.504 0 40 HJAB Cc1cccc(-n2c(SCc3cc(=O)n4cc(C)ccc4n3)nc3ccccc32)c1 8012377 UFOGJXFDBVRVQA-UHFFFAOYSA-N 412.518 4.943 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1OCC 8294583 WPTLAIWSLYTCAW-AWEZNQCLSA-N 411.420 4.759 0 40 HJAB CCOc1ncccc1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 8747806 VHOQXFHTBSTFAO-UHFFFAOYSA-N 407.417 4.799 0 40 HJAB Cc1cccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)c1 8851953 SJDUDJVVXXGHNO-UHFFFAOYSA-N 415.515 4.503 0 40 HJAB Cc1cc(C)c(OCC(=O)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)c(C)c1 8869555 PLFJGOLAYHBSQW-OAQYLSRUSA-N 401.934 4.852 0 40 HJAB COCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccccc1 9059801 IZGLMJDNOIXEGT-UHFFFAOYSA-N 402.498 4.937 0 40 HJAB O=C(CSc1ccccc1F)N(Cc1cccs1)c1ccc2c(c1)OCCO2 9591609 PUSVSERXHRCDHS-UHFFFAOYSA-N 415.511 4.984 0 40 HJAB COc1ccc(CC(=O)n2nc(-c3cccs3)nc2NCc2cccs2)cc1 9667668 WLQCSIOKQGSWKG-UHFFFAOYSA-N 410.524 4.572 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC3=CCCCC3)c2C)cc1 10362996 LWFUGUPDFDYJIM-UHFFFAOYSA-N 412.555 4.725 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2cc(Br)ccc2Cl)c(Cl)c1 11481612 RZTJLXBEGFBOIW-UHFFFAOYSA-N 417.086 4.860 0 40 HJAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccc(Br)cc1 11667292 SDHYOZLVKIHSPE-CQSZACIVSA-N 424.298 4.931 0 40 HJAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4ccccc4F)C3)cc2N1 12183534 CWPAWGXOPXQOAK-PMUMKWKESA-N 424.442 4.740 0 40 HJAB Nc1c(C(=O)Nc2ccc(F)cc2)c2ccccn2c1C(=O)c1ccc(Cl)cc1 12342170 CYSKGDPFGNNRRC-UHFFFAOYSA-N 407.832 4.797 0 40 HJAB CN(C)C(=O)[C@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)c1ccccc1 12556671 XDGZMBGSVWBBRH-QGZVFWFLSA-N 416.344 4.761 0 40 HJAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1 12757428 FFARSQZQGLUMIM-INIZCTEOSA-N 405.560 4.658 0 40 HJAB Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cccc(C(F)(F)F)c2)cs1 12879733 QBRUHKCWJPQVCV-UHFFFAOYSA-N 424.469 4.889 0 40 HJAB C[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccc2ccccc12 13006524 SGDWFSRGZPTAKM-SFHVURJKSA-N 401.510 4.961 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C 14492844 RKUMHVJOTLVJFU-MRXNPFEDSA-N 420.962 4.772 0 40 HJAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N2CCC(C)CC2)o1 15860513 ABGFJFYDAKYUPO-FQEVSTJZSA-N 422.525 4.514 0 40 HJAB COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)c(OC)c1 15953638 OPSSSWJBIKGPHY-MNUWPZSJSA-N 421.537 4.612 0 40 HJAB biogenic Cc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c(C)c1 17090076 HLZWAEUHCBQTBH-HNNXBMFYSA-N 414.571 4.632 0 40 HJAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1c(O)ccc2ccccc12 17092601 GRGPTFXRNXYKJK-UHFFFAOYSA-N 421.305 4.988 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)C3CCCC3)C1)N2 19083960 HTUOVPXWAJLIHU-IXDOHACOSA-N 408.537 4.600 0 40 HJAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1ccc2c(c1)CCC2 19289919 ILWVFRZYAYBVIH-UHFFFAOYSA-N 413.568 4.818 0 40 HJAB O[C@H](CNCC1(N2CCCCC2)CCCCC1)COc1ccc(-c2ccccc2)cc1 19360361 UJFBNOXTOHJJBD-RUZDIDTESA-N 422.613 4.872 0 40 HJAB Cc1nn(C[C@H](C)C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)c(C)c1Cl 19578101 PXABJQLLDUQODE-YWZLYKJASA-N 410.949 4.744 0 40 HJAB COc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4nc5ccccc5s4)c3C2)c(OC)c1 19817331 VVUKEAIGMKDCEV-AWEZNQCLSA-N 419.506 4.720 0 40 HJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 20458077 WEIDQHGGMMIURN-MRXNPFEDSA-N 408.885 4.676 0 40 HJAB O=C(NCc1ccc(F)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 20460127 ZFEVKKYIAPFJIL-XMMPIXPASA-N 420.509 4.530 0 40 HJAB Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3N3CCCCCC3)n2)cc1 22829369 GARGLMYSWGQDAY-UHFFFAOYSA-N 404.514 4.997 0 40 HJAB O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1ccc(Oc2ccccc2Cl)cc1 26016091 YTUSJTKDMRPULQ-FQEVSTJZSA-N 408.841 4.861 0 40 HJAB CCc1ccc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)cc(=O)c2c1 28289984 ASMSKDZGKRVZTN-IBGZPJMESA-N 424.566 4.764 0 40 HJAB Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4cccc5ccccc45)C3=O)co2)cc1 31632947 QQVRDVILRCTNOJ-RUZDIDTESA-N 411.461 4.770 0 40 HJAB CC(C)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2c(Cl)cccc21 32087559 BMVXAXPDLOEITC-OAQYLSRUSA-N 400.910 4.572 0 40 HJAB COc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c(C)c1 32578567 DHVVVWYZCXAUTN-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1sc2ccccc2c1Cl 32758461 CZCLIKREVCRQTI-MRXNPFEDSA-N 409.898 4.699 0 40 HJAB CCOc1cc(CNc2cccc(Cl)c2)cc(I)c1OC 33614794 HLQRLXUKWPQJGP-UHFFFAOYSA-N 417.674 4.964 0 40 HJAB C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@H](C(F)(F)F)C1 35600923 DQZANKNRDMSXIM-ZJUUUORDSA-N 402.766 4.960 0 40 HJAB COC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38834539 FRYXFGGHXAESLZ-UHFFFAOYSA-N 421.324 4.631 0 40 HJAB C[C@@H](c1ccccc1Cl)N(C(=O)C1CCN(C(=O)c2ccco2)CC1)C1CC1 40070291 UXVDYBJCEPABQB-HNNXBMFYSA-N 400.906 4.537 0 40 HJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 44844412 JNCZLOCERXVOAL-JOCHJYFZSA-N 410.514 4.554 0 40 HJAB Cc1sc2ncnc(Sc3nnc(COc4ccc(Cl)cc4)n3C)c2c1C 48341972 TUTUSMSSNJIBHF-UHFFFAOYSA-N 417.947 4.820 0 40 HJAB Cc1cccc2c(-c3ccncc3)c([C@H]3CCCN(C(=O)c4cnn(C)c4C)C3)[nH]c12 72396759 RMPDJRXCYSCHHM-IBGZPJMESA-N 413.525 4.600 0 40 HJAB Oc1cccc(Cc2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1 90714779 ANDFDFQROBZCLI-UHFFFAOYSA-N 418.500 4.810 0 40 HJAB C[C@H]1CN(c2ccc(CNCc3cccc(Oc4ccccc4)c3)cn2)C[C@@H](C)O1 95348683 ZZFBRRYCLIFFRH-BGYRXZFFSA-N 403.526 4.777 0 40 HJAB Cn1c(SCc2nc(O)cc(C(F)(F)F)n2)nnc1-c1ccc(C(C)(C)C)cc1 95441023 IKWJXCJNROPLMR-UHFFFAOYSA-N 423.464 4.586 0 40 HJAB Cc1ccc(NC(=O)c2ccnn2-c2ccc3ccc(-c4cccnc4)cn23)c(F)c1 96037994 DMOVVQOVJGPYKT-UHFFFAOYSA-N 411.440 4.887 0 40 HJAB COc1cccc(NC(=O)N(Cc2cnc3ccccn23)c2ccccc2)c1OC 96103003 YVOJMZOVENEMIS-UHFFFAOYSA-N 402.454 4.590 0 40 HJAB O=C1[C@H]2[C@@H](c3ccccc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 103001878 UATSXNGJSNRLHJ-PWRODBHTSA-N 422.843 4.530 0 40 HJAB CCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 103718874 QCSDXWNSVZHQAM-INIZCTEOSA-N 400.906 4.819 0 40 HJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1nc(-c2ccc(C)cc2)no1 219341887 HYRRWXWABZNREQ-FQEVSTJZSA-N 401.466 4.672 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 222413443 XJJPTJNUYXSMSJ-JOCHJYFZSA-N 412.599 4.728 0 40 HJAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)c4ccc(Cl)cc4)cc32)cc1 222943012 SEZAIVAJIKLOJE-UHFFFAOYSA-N 406.869 4.804 0 40 HJAB Cc1cccc(OCCNC(=O)COc2ccc(C(C)C)cc2Br)c1C 223936414 VVMNCQUZDBXSMB-UHFFFAOYSA-N 420.347 4.763 0 40 HJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)c1 224227172 CKMXNBVPEONVDI-XZOQPEGZSA-N 411.534 4.753 0 40 HJAB Cc1ccccc1[C@H](C)NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224301674 OFGBSBGBTJDAJH-IBGZPJMESA-N 422.550 4.620 0 40 HJAB CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1COc1cccc(C)c1 224381778 CLFFDXFBNVKWPN-UHFFFAOYSA-N 419.521 4.954 0 40 HJAB CCN(Cc1ccc(C(=O)Nc2cc(C)ccc2C)cc1)S(=O)(=O)c1ccccc1 224443453 KZBFYOMZDUFRAC-UHFFFAOYSA-N 422.550 4.767 0 40 HJAB CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1COc1ccc2ccccc2c1 224645848 QVLMXGSNXCLUBC-UHFFFAOYSA-N 418.537 4.595 0 40 HJAB Cc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)CC2)cc1 225166038 LLBHSBCLGLPOKG-UHFFFAOYSA-N 423.582 4.803 0 40 HJAB Cc1cc(C)nc(Nc2cccc(C(=O)N3CCC(Cc4ccccc4)CC3)c2)n1 225915575 FMSKNASASSZZNC-UHFFFAOYSA-N 400.526 4.932 0 40 HJAB O=C(c1nccc2ccccc12)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257313228 URLPEHUIILEIML-LJQANCHMSA-N 415.468 4.973 0 40 HJAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(C(C)C)cc2)c(F)c1F 408628749 WXVNOOFSTXSUQH-UHFFFAOYSA-N 400.397 4.502 0 40 HJAB CN(CC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1)C(=O)OCc1ccccc1 408998136 KIDLXDSZEUFZMJ-UHFFFAOYSA-N 423.509 4.729 0 40 HJAB O=C1NC(=O)/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)S1 409138916 JURSQSNVOFEGME-IUXPMGMMSA-N 413.296 4.776 0 40 HJAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)s1 409356433 GRESZJMOFZKDHZ-WOJGMQOQSA-N 408.504 4.885 0 40 HJAB Oc1cc2c(cc1-c1c(-c3ccc4c(c3)OCO4)oc3cc4c(cc13)OCO4)OCO2 524731315 SFLHMBLWQQGWFM-UHFFFAOYSA-N 418.357 4.659 0 40 HJAB biogenic COc1cc(C(=O)O)c2c(c1OC)C(C)(C)[C@@H]1COc3c(Cl)cccc3[C@H]1N2 643552346 ANILUTQTFYCFQP-MLGOLLRUSA-N 403.862 4.508 0 40 HJAB CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cc(-c2cc(OC)ccc2Cl)no1 1526628364 VJVLAHNODYOADL-RTBURBONSA-N 406.910 4.669 0 40 HJAB O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)NCc1ccccc1 869880 WKBPVJPHNGBDES-UHFFFAOYSA-N 406.555 4.724 0 40 HJAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccccc1 900664 UVQAVUWBYZKZSA-WIYYLYMNSA-N 420.582 4.780 0 40 HJAB Cc1nc(SCC(=O)Nc2nc(C)c(C)s2)c2c3c(sc2n1)C[C@@H](C)CC3 1326251 QMENTNMRWGZECI-VIFPVBQESA-N 418.613 4.929 0 40 HJAB CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 2704143 AONQHECBDMRWNI-JOCHJYFZSA-N 412.445 4.645 0 40 HJAB O=C1C2=CN=C(c3ccc(Cl)cc3)S[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 3047130 XHXFTFPHBIGSOC-OAHLLOKOSA-N 422.815 4.678 0 40 HJAB O=C(CSc1nc2ccccc2o1)Nc1nc2ccc(Br)cc2s1 3235048 OVTKOZRGWDPDID-UHFFFAOYSA-N 420.313 4.931 0 40 HJAB Cn1cccc1C(=O)O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 3280654 MWFYJMSRONXDOH-GOSISDBHSA-N 403.265 4.869 0 40 HJAB COc1cccc(-c2nnc(SCCOc3ccc(Cl)cc3Cl)n2C)c1 3422608 FNKJMJWEXRACEZ-UHFFFAOYSA-N 410.326 4.969 0 40 HJAB Cc1c(CC(=O)Nc2ccc(F)cc2F)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 4089709 CEENFXJWKVCVCB-UHFFFAOYSA-N 413.420 4.664 0 40 HJAB biogenic CC1CCN(C(=O)CSc2nc(NCc3ccccc3)c3ccccc3n2)CC1 4659282 IAKWUAXJSMDERM-UHFFFAOYSA-N 406.555 4.593 0 40 HJAB CC1(C)c2cc(Br)ccc2N2CCC(=O)N[C@@]21/C=C/c1ccc(F)cc1 4811849 YCEPCDDQXQSTFN-ZUURVNMSSA-N 415.306 4.615 0 40 HJAB CC(=O)c1cccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)c1 4941121 UDBMCULDBCLEKV-UHFFFAOYSA-N 404.857 4.837 0 40 HJAB CC1=NN(c2ccccc2)[C@@H]2O[C@@]3(C)C[C@](C)(Oc4c3c(C)nn4-c3ccccc3)[C@@H]12 5323079 IEIBUZSTLRNBJL-OZTAZYLFSA-N 414.509 4.806 0 40 HJAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N(C)Cc1ccccc1 5332923 FVXKSLVWBHOCDZ-OAHLLOKOSA-N 410.518 4.558 0 40 HJAB CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3ccc(F)c(F)c3F)ccc12 5348440 JJEQNRRYXHFJBL-LLVKDONJSA-N 405.372 4.569 0 40 HJAB Cc1cc(NC(=O)CC[C@@H]2COc3ccccc3O2)ccc1NC(=O)c1ccccc1 5424839 YCVHHRGTXWYBGV-HXUWFJFHSA-N 416.477 4.806 0 40 HJAB CCN(C(=O)COc1ccc(Br)cc1)c1nc2c(C)cccc2s1 5938560 YNTOVRQQIBZTRK-UHFFFAOYSA-N 405.317 4.799 0 40 HJAB CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 6417905 LDCULWVOOMKPDD-UHFFFAOYSA-N 400.935 4.548 0 40 HJAB O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1cccc(C(F)(F)F)c1 6461084 HORFKZZOYBHRBY-UHFFFAOYSA-N 414.383 4.975 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)c(C)c1 6766866 BRGRYSNXNAOPHW-UHFFFAOYSA-N 420.534 4.616 0 40 HJAB C[C@H](CCc1ccccc1)NC(=O)CSc1nc(C(F)(F)F)nc2ccccc12 7160538 MVEWCVHNFCWHHV-CQSZACIVSA-N 419.472 4.878 0 40 HJAB CCc1ccc(C(=O)[C@H](C)Sc2nnc(COc3ccc(Cl)cc3)n2C)cc1 7236266 GOUSRCXEBGXCDN-AWEZNQCLSA-N 415.946 4.973 0 40 HJAB COc1cccc(NC(=O)c2cc3c(N4CCCCC4)nc(SC)nc3s2)c1 7604207 KMXVOBOGXARBOT-UHFFFAOYSA-N 414.556 4.664 0 40 HJAB Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)cc1 7699708 QUJSCQVIGJITBG-FQEVSTJZSA-N 403.450 4.664 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1C1CC1 7799230 KZMQUICVYJXFRO-CQSZACIVSA-N 403.511 4.828 0 40 HJAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc(O)cc1 7822921 IXQIBWDWWQNFLV-UHFFFAOYSA-N 415.902 4.526 0 40 HJAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 7871990 DQEFWPWJODPOPZ-UHFFFAOYSA-N 410.495 4.517 0 40 HJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1ccc(F)cc1F 8034297 KTMYDLQJLKALAY-DHZHZOJOSA-N 402.404 4.864 0 40 HJAB Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3ccccc3Cl)ccc1O2 8961273 XNDVCYHZFDJTRL-UHFFFAOYSA-N 414.870 4.807 0 40 HJAB COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCCC2)cc1 9282018 ZORVXPFIGSFCQT-UHFFFAOYSA-N 404.510 4.820 0 40 HJAB Cc1c(CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(=O)oc2cc(O)ccc12 9344276 PHVBKSQWRQWTCM-UHFFFAOYSA-N 420.509 4.615 0 40 HJAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)s1 9507902 VJIIMPHMPJMAOJ-UHFFFAOYSA-N 422.482 4.689 0 40 HJAB COc1ccc(Br)cc1CN(C)C(=O)Nc1nc2ccccc2s1 9711457 MMNMHRYRTCXYHU-UHFFFAOYSA-N 406.305 4.731 0 40 HJAB O=C(NC1CC1)c1cccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 9713187 IENURAMXOJEPFP-UHFFFAOYSA-N 422.488 4.684 0 40 HJAB COc1ccc(C(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2Cl)cc1 10186524 DTZCSONKESFRCK-UHFFFAOYSA-N 419.868 4.608 0 40 HJAB CCCCOc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)cc2)cc1 11914185 PXXBTJHVTHQJRK-UHFFFAOYSA-N 401.850 4.586 0 40 HJAB COC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 11923383 OAHJWENAFIJPDE-UHFFFAOYSA-N 417.490 4.699 0 40 HJAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)Cc3cccc4ccccc34)ccc21 12033896 AGXGRAXVIVYYRK-UHFFFAOYSA-N 422.550 4.513 0 40 HJAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)ccc1OC(F)F 12628535 LAYSDDQWONPHMJ-QXLXQBSBSA-N 413.424 4.550 0 40 HJAB Cc1nc(-c2ccc(CCNC(=O)CCc3cnn(-c4ccccc4)c3)cc2)cs1 12773228 JHWLNDQLHFCVGX-UHFFFAOYSA-N 416.550 4.596 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1 12786555 IUATUSXHXCPYIX-UHFFFAOYSA-N 424.884 4.927 0 40 HJAB CCCOc1ccc2ccccc2c1CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1 12818273 BWOLNRJWUWUSIU-UHFFFAOYSA-N 411.523 4.652 0 40 HJAB CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)n1 12823674 ZRLWHPDFAOGSKV-OAHLLOKOSA-N 406.511 4.883 0 40 HJAB COc1ccc2cc(CN(C)CCC(=O)Nc3ccnn3C3CCCC3)ccc2c1 13011215 XWDINOUHPGDMEV-UHFFFAOYSA-N 406.530 4.621 0 40 HJAB CCOc1cc(/C=C2\N=C(c3cccc(OC(F)F)c3)OC2=O)cc(Cl)c1OC 13063603 YUWOKRICQSNQTB-NVNXTCNLSA-N 423.799 4.693 0 40 HJAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)CNC(=O)c2cccs2)c1 14196786 QOTUORZNJJWSEF-UHFFFAOYSA-N 400.887 4.871 0 40 HJAB Cc1cc(C)c([S@](=O)Nc2ccc(C)cc2-c2nc3ccccc3[nH]c2=O)c(C)c1 16291388 GHMQLXRMGQKDRZ-SSEXGKCCSA-N 417.534 4.958 0 40 HJAB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N1C(=O)Cc2ccccc21 16524681 XGVTWWMCMGGOFX-UHFFFAOYSA-N 400.912 4.672 0 40 HJAB COCCCn1c(SCc2nc(-c3ccccc3)oc2C)nc2ccccc2c1=O 16991656 FBIOXJSXWCDVFD-UHFFFAOYSA-N 421.522 4.689 0 40 HJAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1 17092037 PQKFFGUJWMZREO-UHFFFAOYSA-N 419.934 4.603 0 40 HJAB O=C(COc1cccc2ccc(N3CCCC3)nc12)Nc1ccc(C(F)(F)F)cc1 17170571 XZJJFQQYIQTDFG-UHFFFAOYSA-N 415.415 4.871 0 40 HJAB CN(C)[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccs1 17796125 XWVBDXOVMHOCGH-NRFANRHFSA-N 416.550 4.634 0 40 HJAB COCCCNc1ncc(-c2ccc(F)cc2)c(-c2cnn(Cc3ccccc3)c2)n1 19593332 NDQVVEOLEYDHFP-UHFFFAOYSA-N 417.488 4.643 0 40 HJAB COc1ccc(-c2cccc(CN3CCC[C@H]3c3ccc(C(N)=O)c(C)n3)c2)cc1 19711145 AQPJOVNHMACDRM-DEOSSOPVSA-N 401.510 4.502 0 40 HJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 20107470 WRLNWZFADHODRU-HSZRJFAPSA-N 402.494 4.872 0 40 HJAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)C1c2ccccc2Oc2ccccc21)CC3 20714747 CBIQUHDZQNJFGG-UHFFFAOYSA-N 410.473 4.999 0 40 HJAB biogenic O=C(OCc1noc(-c2ccco2)n1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 23945085 HAUMIMGTYMCYDD-UHFFFAOYSA-N 404.300 4.965 0 40 HJAB O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 25916966 SOEJIOFIWFVOHJ-UHFFFAOYSA-N 416.427 4.876 0 40 HJAB COc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1 28291864 HFVZEYYXMVGCLK-XMMPIXPASA-N 410.558 4.541 0 40 HJAB Cc1ccc([C@H](NC(=O)c2ccc(C(F)(F)F)nc2O)c2ccccc2)cc1C 32904981 XTIWPOFJBWRZHY-LJQANCHMSA-N 400.400 4.942 0 40 HJAB Cc1ccc(CC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)cc1C 32957521 SULBQJGHVHYKGT-UHFFFAOYSA-N 408.523 4.535 0 40 HJAB Cc1c(CCC(=O)O)c(=O)oc2cc3occ(-c4ccc5c(c4)OCCCO5)c3cc12 36370060 CTRBYJSODREWGW-UHFFFAOYSA-N 420.417 4.693 0 40 HJAB biogenic O=S(=O)(CCCc1nc(-c2cccs2)no1)Cc1ccc(Cl)cc1Cl 40070056 UJOXBMRCAZNJPD-UHFFFAOYSA-N 417.339 4.653 0 40 HJAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(CN2CCCC2=O)c1 40093988 FBLAGBBBSLYSPX-CYBMUJFWSA-N 407.297 4.522 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)no2)cc1OC 46086891 PWKCKBLZJPHUOF-UHFFFAOYSA-N 415.858 4.874 0 40 HJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1nc(N2CCCC2)ncc1Cl 47537636 FFIANKXOJZPVSM-UHFFFAOYSA-N 408.889 4.562 0 40 HJAB CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)o2)cc1 49170243 NJXIGGNGLLAAJS-KRWDZBQOSA-N 416.447 4.811 0 40 HJAB biogenic,in-vitro CCOc1ccc(-c2noc(CCC(=O)N(C)c3cccc4ccccc34)n2)cc1 56225745 ZCZDZJJUUWJYPM-UHFFFAOYSA-N 401.466 4.884 0 40 HJAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CNCCc1ccccn1 57801058 VEQNPFDHMSNNNX-UHFFFAOYSA-N 409.748 4.927 0 40 HJAB Cc1cc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)ccc1Br 58430601 AQHQQAKDLNEYLQ-SNVBAGLBSA-N 423.361 4.940 0 40 HJAB COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 59210988 GVDPIVSZIVTNTJ-UHFFFAOYSA-N 422.319 4.781 0 40 HJAB Cc1ccc(C)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c1 67292807 DTMSPGMMHASTPN-RHGYLGJDSA-N 410.901 4.844 0 40 HJAB Cc1c(C(=O)N2CC[C@H](c3c(C(N)=O)sc4ccccc34)C2)oc2c(C)cccc12 72352170 ILMBCCFIKROHDG-HNNXBMFYSA-N 418.518 4.993 0 40 HJAB COc1cccc2cc(C(=O)NC[C@@](C)(O)c3ccc(-c4ccccc4)cc3)oc12 77184178 QWDSFOCYXNLKKT-RUZDIDTESA-N 401.462 4.746 0 40 HJAB CC[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)C1 95960022 DQPBNQAYCKPZGS-LBEKAKSKSA-N 421.651 4.756 0 40 HJAB Clc1cccc([C@@H]2C=C(c3ccc(Br)cc3)Nc3nnnn32)c1Cl 101070158 DZGSUZIPSWMACY-AWEZNQCLSA-N 423.101 4.798 0 40 HJAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OC 106697965 ZEULOMTZTQQVEU-SXGWCWSVSA-N 407.850 4.733 0 40 HJAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 142196021 AOWVCMLTJATMPZ-QHCPKHFHSA-N 406.913 4.746 0 40 HJAB CCc1cccc(CC)c1NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 222632196 YTUAVEUVVHUGHG-UHFFFAOYSA-N 416.587 4.613 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 222846805 GVKBRIHFRLVICN-HNNXBMFYSA-N 421.368 4.868 0 40 HJAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc(C)c1Br 223205116 YJQZOIGPFBQCKO-HNNXBMFYSA-N 402.332 4.811 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 223448627 IJIRUKGVPFRABZ-JOCHJYFZSA-N 412.549 4.707 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 223690649 GZXSMSXGFSKILT-HSZRJFAPSA-N 424.585 4.714 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 223750493 DJCOEIFEHPZOJR-QFIPXVFZSA-N 414.977 4.996 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C(C)C 223853786 RKIZXKUCWCYWQK-FCHUYYIVSA-N 406.555 4.964 0 40 HJAB COc1ccc(CNC(=O)c2ccc(OC)c(COc3ccc(Cl)cc3)c2)cc1 224154988 KZKPWZDOKOLXCB-UHFFFAOYSA-N 411.885 4.866 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(C)c3)cc2C)cc1 224204992 SHFCKGXUEZSHKU-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB O=C(NCc1cccc(CN2CCCC2)c1)c1cccc(OCc2ccccc2)c1 224618354 CEQXVZBWFGRSHW-UHFFFAOYSA-N 400.522 4.791 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 224629436 BIGJFXCFCNFFND-QFIPXVFZSA-N 414.977 4.771 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 224695419 MDIMDYHZQSEZMC-HXUWFJFHSA-N 412.599 4.562 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1cccc(C)c1 225379009 LUFXQCVBOSXSRD-RUZDIDTESA-N 420.597 4.836 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225698936 ZCCIKFUNKNOCSL-MRXNPFEDSA-N 421.368 4.520 0 40 HJAB O=C(CCc1c(Cl)cccc1Cl)N1[C@H]2CC[C@H]1CC(Oc1ccncc1)C2 253472218 KJUBTSPZWBWZQF-GJZGRUSLSA-N 405.325 4.922 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)c1 409008440 YNVPUQHFRLCOJX-UHFFFAOYSA-N 409.511 4.567 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)cc1 409013416 KGBGPZVGVOWFCS-UHFFFAOYSA-N 403.891 4.595 0 40 HJAB Cc1ccc(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1C 409115340 ITNTVZJCYNPEEJ-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB O=C(O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O 409137656 XRGHTKPKRKCJSH-UDWIEESQSA-N 419.458 4.540 0 40 HJAB C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)c1cccc(N2CCCC2=O)c1 538236970 FQVKAHGWFBRIBY-LBPRGKRZSA-N 410.823 4.977 0 40 HJAB Cc1cnc(Nc2cccc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)n2)s1 643550581 KPMOCNMQIVDGCN-NRFANRHFSA-N 417.538 4.712 0 40 HJAB O=C(CSc1nnc(-c2ccccc2O)o1)Nc1ccc(Oc2ccccc2)cc1 970947 YWXFIGUYJUWUPB-UHFFFAOYSA-N 419.462 4.965 0 40 HJAB COc1ccc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)cc1Br 1413978 OHJHXVXZMKGZHL-UHFFFAOYSA-N 424.254 4.913 0 40 HJAB COc1ccc(OCc2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)cc1 1417186 QMVUCOMLIHREAZ-UHFFFAOYSA-N 421.309 4.531 0 40 HJAB CCc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1 1861936 FBIBPPRAIJZKHM-UHFFFAOYSA-N 408.281 4.701 0 40 HJAB COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 2249125 CPYHSNLCHOWSQV-IBGZPJMESA-N 418.474 4.625 0 40 HJAB CCCc1nc2sc3c(NCCCN(C)C)nc(SC)nc3c2c2c1CCC2 2367937 QDKYSGXMVHKJKD-UHFFFAOYSA-N 415.632 4.766 0 40 HJAB CCOCCCn1c(SCC(=O)c2cc(C)c(C)cc2C)nc2ccccc2c1=O 2623016 ZCKOYRGMKRCYML-UHFFFAOYSA-N 424.566 4.723 0 40 HJAB CC(=O)c1c(C)oc2c(Br)cc(NS(=O)(=O)c3ccc(C)cc3)cc12 3170045 WWQOQJIJSNAGGE-UHFFFAOYSA-N 422.300 4.816 0 40 HJAB O=C(Nc1nc(SCc2ccccc2)ns1)c1cccc(Br)c1 3355104 SORQAHUDPMHEHT-UHFFFAOYSA-N 406.330 4.845 0 40 HJAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)CSC3)c1 4087669 ZRKDEJSYVHKKAX-UHFFFAOYSA-N 417.490 4.595 0 40 HJAB CSc1ccccc1-c1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1 4585566 VIXXVPVVZFGPNK-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccccc3C)n2C)c1 4682004 LUNAYFBZFNPONC-UHFFFAOYSA-N 424.570 4.865 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N[C@@H]1C[C@H]2CC[C@@H]1C2 4866554 YFDZDDQAGGHRQZ-PWIZWCRZSA-N 416.550 4.603 0 40 HJAB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 4953315 BMAKMCLYFPFFCS-QGZVFWFLSA-N 406.338 4.733 0 40 HJAB COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)COc1cc(C)cc(C)c1 5164829 KXRIDRCWFZINNE-ZSQFBXSQSA-N 423.553 4.586 0 40 HJAB CC[C@H]1CCCCN1C(=O)Cn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O 5263659 GHESZZCJRMSIPI-SFHVURJKSA-N 409.555 4.533 0 40 HJAB CCCCCCC(=O)C[C@H](SC[C@@H](NC(C)=O)C(=O)O)c1ccccc1Cl 5618939 QSKPZKQBDISPJO-MOPGFXCFSA-N 413.967 4.633 0 40 HJAB CCOC(=O)CC[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 5952792 ZFVNCIMEWULGEX-HPIFLXJASA-N 420.634 4.956 0 40 HJAB COc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Br)cc2)cc1 6747552 GAFJTMNYVWOTJA-UHFFFAOYSA-N 400.272 4.893 0 40 HJAB COc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2cccc(F)c2)cc1 6818749 DUILQEYWMXWSKU-UHFFFAOYSA-N 411.502 4.678 0 40 HJAB O=C(OCCOC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1 7653360 BRBHPMFCQZTMRA-UHFFFAOYSA-N 403.459 4.977 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1[C@H](C)Oc1ccccc1 8090194 USDLIVMDJCGBJK-KRWDZBQOSA-N 410.543 4.786 0 40 HJAB COCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)cc1OC 8106148 OTJCBHJQTHWKEU-LTGZKZEYSA-N 401.462 4.939 0 40 HJAB COc1cc(Cl)c(C[C@@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 8106932 UHNGDXZOQVEEKZ-INIZCTEOSA-N 412.294 4.822 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)NCCOc2ccc3ccccc3c2)c1 8313429 VUMNTYIIGCHTPE-UHFFFAOYSA-N 416.477 4.832 0 40 HJAB Cc1nc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2CC(C)C)sc1C 8365431 DNCZIMKUJLMBPU-HNNXBMFYSA-N 415.588 4.794 0 40 HJAB Nc1c(C(=O)Nc2ccccc2)c2ccccn2c1C(=O)c1ccc2c(c1)CCCC2 9316455 VYHHDQURFOZSRT-UHFFFAOYSA-N 409.489 4.884 0 40 HJAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1cc2ccccc2oc1=O 9391600 LNFDESCOXKHYAB-UHFFFAOYSA-N 423.881 4.631 0 40 HJAB CC(C)n1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1cc2ccccc2o1 9595082 FOIGDJJSOYAIJP-LBPRGKRZSA-N 413.528 4.848 0 40 HJAB CCCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1cc(C)cc(C)c1 10537060 UTPQTAIMKDJGQJ-UHFFFAOYSA-N 413.905 4.824 0 40 HJAB Cc1nc(-c2cccc(NC(=O)COC(=O)Cn3c(C)cc4ccccc43)c2)cs1 10622146 HTPALEUECXGWNG-UHFFFAOYSA-N 419.506 4.564 0 40 HJAB COc1cc(Nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nc(C)n1 12225701 HYZQTANJJWRDAB-UHFFFAOYSA-N 401.829 4.974 0 40 HJAB Cc1cccc(Nc2ccccc2C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1C 12527216 QWBGDINSSKQFLB-UHFFFAOYSA-N 412.493 4.556 0 40 HJAB CCCc1noc([C@@H](C)Sc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)n1 12910570 PGIWYAIMXAKHDM-GFCCVEGCSA-N 406.939 4.895 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2C)cc1 13669780 XZZWOUHXKQOSFT-GOSISDBHSA-N 420.534 4.696 0 40 HJAB CCOc1ccccc1NC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 15882835 WKSRGIQMZXMWAS-UHFFFAOYSA-N 416.399 4.566 0 40 HJAB Nc1nnc(SCCCCCCCCCCSc2nnc(N)s2)s1 16940871 LAHMUFITSUPBFF-UHFFFAOYSA-N 404.656 4.559 0 40 HJAB CN(C)[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccs1 17796129 XWVBDXOVMHOCGH-OAQYLSRUSA-N 416.550 4.634 0 40 HJAB Cc1ccc2nc(Nc3nc(C)c(Cc4ccccc4Cl)c(=O)[nH]3)nc(C)c2c1 18222497 NDVYBHKYQGSBNK-UHFFFAOYSA-N 405.889 4.626 0 40 HJAB CCOc1ccc(CN2CCC(c3nnsc3-c3onc(C)c3CC)CC2)cc1 19521798 NFZSKMZMTLBKAS-UHFFFAOYSA-N 412.559 4.842 0 40 HJAB Cc1c(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cnn1C 19694317 HSKNQWROYMEECT-NRFANRHFSA-N 424.980 4.632 0 40 HJAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 25644931 AOMYZKVPDQEADD-NRFANRHFSA-N 423.513 4.903 0 40 HJAB Cc1cccc(COc2cccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c2)c1 26083869 CHTFFKCWXOAHGJ-UHFFFAOYSA-N 415.537 4.578 0 40 HJAB CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(Cl)cc2C)CC1 33088312 JVTIHRMSYAOXPV-UHFFFAOYSA-N 424.932 4.845 0 40 HJAB CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)s1 36222118 KOYUQBWJGIARNJ-UHFFFAOYSA-N 415.526 4.567 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1cccc(C)c1)CC2 36448816 IYUUVDBHZZOGIW-DEOSSOPVSA-N 422.550 4.660 0 40 HJAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC[C@H](C(=O)Nc2ccccc2)C1 37197401 XIVFMTURHHYSQW-GJZGRUSLSA-N 420.340 4.671 0 40 HJAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 40040486 NOASXOWAFIQLPP-NRFANRHFSA-N 402.498 4.972 0 40 HJAB C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)c(F)c1 57312352 HMKONBFQMNIWTQ-HNNXBMFYSA-N 409.436 4.506 0 40 HJAB COc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487239 GVQWIERASMKJOZ-UHFFFAOYSA-N 408.845 4.506 0 40 HJAB Cc1ncsc1-c1nc(NC[C@H]2COc3ccccc3O2)ncc1-c1ccccc1 57775509 FTFRKTFAXVLHMU-KRWDZBQOSA-N 416.506 4.827 0 40 HJAB Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 58058956 AVBMHIRCIFUZKB-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(C)n1CC(F)(F)F 65475178 WKKCLCWCTGURRR-GOSISDBHSA-N 422.447 4.806 0 40 HJAB COc1cc(OC)c([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)c(OC)c1 71288733 AOSCKWGKIRRVBL-GOSISDBHSA-N 403.504 4.616 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@H](c3nccnc3-c3cccc(F)c3)C2)cc1 72358795 WQJOQONYQWSFCY-FQEVSTJZSA-N 419.500 4.630 0 40 HJAB CC[C@H]1CCCN(C(C)(C)CNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)C1 95958286 FRNPLODHEYPRMF-KRWDZBQOSA-N 412.534 4.554 0 40 HJAB Cc1cccc(C)c1Oc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2[C@H]2C[C@H]32)cc1 102093632 VJKRAQBZTSCFHW-OGDHSWOFSA-N 403.478 4.803 0 40 HJAB COc1cccc([C@@H]2Nc3nonc3N=C3C[C@H](c4ccc(F)cc4)CC(O)=C32)c1 102832937 XKLBJSKLYOXXKU-XOBRGWDASA-N 406.417 4.846 0 40 HJAB Cc1ccc(CN(C(=O)COc2cc(C)cc(C)c2C)[C@H](C)C(=O)NC(C)(C)C)cc1 222773880 OGDJGPWSYYWTTM-OAQYLSRUSA-N 424.585 4.631 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 223312468 ZCPRGDJLFWRTAJ-JOCHJYFZSA-N 424.585 4.713 0 40 HJAB Cc1cccc(CN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCC2)c1 223807275 JCAKVSRWFOCTJK-GOSISDBHSA-N 412.961 4.667 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)cc1 223983519 HDZQMHLQQAXQIP-UHFFFAOYSA-N 424.522 4.872 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C)cc2C)cc1 224204918 KUVVFCAMGMMVAB-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1C 224838645 AQTXFTSCAJHZIZ-HXUWFJFHSA-N 424.560 4.851 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C)cc1 225156642 LIVKTORCESNYGM-LJQANCHMSA-N 414.977 4.915 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 225510765 UBCSTDVOFIFYDX-GCJKJVERSA-N 414.977 4.913 0 40 HJAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC(C)C)c1 225511958 VRJZFYZGZASHNY-NRFANRHFSA-N 408.586 4.993 0 40 HJAB CC(C)(C)c1ccc(OCCn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)cc1 408567730 HGIAFEIJAJNYTH-UHFFFAOYSA-N 418.537 4.823 0 40 HJAB CC(C)(C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704497 ONJBFNAHTVQHKP-HXUWFJFHSA-N 402.947 4.643 0 40 HJAB O=C(CCCOc1ccc(Cl)cc1Cl)N[C@@H]1NC(c2ccccc2)=CS1 408915040 OYCNNHPDHXFXSZ-IBGZPJMESA-N 409.338 4.887 0 40 HJAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 409164013 BEQIOPQMDGOOEV-MOSHPQCFSA-N 424.522 4.767 0 40 HJAB Cc1cc(C(=O)N2CCc3cccc(F)c32)cc(C(=O)N2CCc3cccc(F)c32)c1 511302545 SBHFELIJKATVCK-UHFFFAOYSA-N 418.443 4.679 0 40 HJAB COc1cccc2c1[C@@H](c1nc(Cc3ccc(OCc4ccncc4)cc3)no1)CC2 550964012 YPSILZXIPWEBNX-NRFANRHFSA-N 413.477 4.721 0 40 HJAB O=C(c1cccc(F)c1F)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 552850962 FGYFMXUAWIFUGV-OAQYLSRUSA-N 421.491 4.667 0 40 HJAB COC(=O)c1sc2ccccc2c1CN(C)CC(=O)Nc1c(C)cc(C)cc1C 559056373 RUTVYXJIVJXNPU-UHFFFAOYSA-N 410.539 4.684 0 40 HJAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)CCc1ccccc1)C2 643576429 YZCJDIMQDUBJFO-RPWUZVMVSA-N 405.586 4.705 0 40 HJAB O=C(O)CCc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1F 1535646151 ZWBBDBHMAPCFDZ-UHFFFAOYSA-N 419.452 4.882 0 40 HJAB COc1cc(Cl)ccc1CNC(=O)N(C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 1678988114 BCFFVCCFMAWXHT-VQTJNVASSA-N 402.922 4.736 0 40 HJAB Cc1ccc2ncc(-c3cccc([C@@H]4CCCN(C(=O)Cc5ccccc5)C4)n3)n2c1 2037846366 OREJUBBRWINNMK-OAQYLSRUSA-N 410.521 4.653 0 40 HJAB Cc1cc(NC(=O)c2ccc(Br)cc2)ccc1I 705674 OSFVIIGGPJTVGQ-UHFFFAOYSA-N 416.056 4.614 0 40 HJAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)c1ccccn1)c1ccccc1 1339023 DNGNPUCBTKGKFO-JOCHJYFZSA-N 419.550 4.980 0 40 HJAB O=C(CSC(=S)NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 1397348 IGSLCUVYKWBGJF-UHFFFAOYSA-N 405.854 4.571 0 40 HJAB COc1ccccc1C(=O)N(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1474144 JCGHQWYLAHCCGA-UHFFFAOYSA-N 415.898 4.693 0 40 HJAB Cc1ccc(-n2ncc3c2ncn2nc(Cc4cccc5ccccc45)nc32)c(C)c1 2419975 JZWZZDNTYKUHFK-UHFFFAOYSA-N 404.477 4.824 0 40 HJAB CC[C@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O)c1ccccc1 2423656 QBMLRYMSEPUNGW-HKUYNNGSSA-N 403.457 4.661 0 40 HJAB CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1 2971358 BCCMUEBGABAYIP-UHFFFAOYSA-N 407.539 4.805 0 40 HJAB COc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 3408160 LUKZMCHLYPCGTG-LLVKDONJSA-N 423.325 4.702 0 40 HJAB CCOC(=O)Cc1csc(SCc2cc(=O)oc3cc(C)c(Cl)cc23)n1 3451043 AENBKOIVPLSIDS-UHFFFAOYSA-N 409.916 4.609 0 40 HJAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCc4cccc(Cl)c4)c(C)c3cc12 4743966 MFQCIYBAKPNTLD-UHFFFAOYSA-N 409.869 4.977 0 40 HJAB CC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)c1 4933840 KHEHUWLZRDATNQ-QFIPXVFZSA-N 418.493 4.785 0 40 HJAB CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 4936683 GUECPVHEGZHYTI-IBGZPJMESA-N 402.325 4.959 0 40 HJAB COc1cc(CNCc2ccco2)cc(Br)c1OCc1ccccc1 4942810 CJHOZNIGZWWXRZ-UHFFFAOYSA-N 402.288 4.920 0 40 HJAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)C1 5100614 RMIRJSKLQTXWMS-QYBDOPJKSA-N 418.537 4.643 0 40 HJAB Cc1cccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1C 6220055 IRFHFMBOZURLKP-LJQANCHMSA-N 402.494 4.812 0 40 HJAB O=C(NC(=S)Nc1ccc(CN2CCCCC2)cc1)c1ccc2ccccc2c1 6549048 IGDGBJWASBCRSK-UHFFFAOYSA-N 403.551 4.953 0 40 HJAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OCCC)cc1 6752987 PTAHSPCWEZSCFK-HSZRJFAPSA-N 405.498 4.916 0 40 HJAB CC(C)CC(=O)Nc1ccc(C(=O)COc2ccc(Br)cc2F)cc1 6786624 WFFBUNIBRMZVOD-UHFFFAOYSA-N 408.267 4.835 0 40 HJAB COc1ccc(-c2nnc(NC(=O)c3ccc(Oc4ccccc4)cc3)o2)cc1OC 7595784 BIYHVQQCZUMBII-UHFFFAOYSA-N 417.421 4.798 0 40 HJAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1 7643316 BDRTZIFIHOSEJR-QGZVFWFLSA-N 421.566 4.757 0 40 HJAB Cc1ccn2c(NC(=O)C[C@@H]3OC(=O)c4ccccc43)c(-c3cccs3)nc2c1 7987322 GMVDTOGLWTUBIJ-INIZCTEOSA-N 403.463 4.612 0 40 HJAB COc1ccc(CCNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 8346211 RJQMMEVOYHRWTH-UHFFFAOYSA-N 417.534 4.641 0 40 HJAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)COc1ccccc1 8367651 CNVNQKYACAFEHL-UHFFFAOYSA-N 408.461 4.900 0 40 HJAB COc1ccc(-c2[nH]nc3c2CN(C(=O)c2ccc(-c4ccccc4)cc2)CC3)cc1 8739881 UZAGMMGZBDBGGN-UHFFFAOYSA-N 409.489 4.951 0 40 HJAB Cc1cc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)ccc1N1CCCC1 9117989 IBMHHVOAVMNPMH-OAQYLSRUSA-N 420.582 4.981 0 40 HJAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccc(N3CCOCC3)cc2)cc1C 9417205 WAEFERLNUAHYMM-UHFFFAOYSA-N 419.550 4.939 0 40 HJAB Cc1cccc(Nc2nc(Nc3ccc(C(C)C)cc3)nc(N3CCOCC3)n2)c1 9708927 OYRWJMMWYLNVOG-UHFFFAOYSA-N 404.518 4.627 0 40 HJAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)no1 9868799 UKTVLMKFSWOUEK-HNNXBMFYSA-N 417.494 4.621 0 40 HJAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(C)c(Cl)ccc3s2)cc1 9913017 RXZTURWDENBXIA-UHFFFAOYSA-N 422.959 4.759 0 40 HJAB CN(CCc1ccccn1)c1ncc(-c2ccc3c(c2)OCO3)c(-c2cccs2)n1 12089508 ZGVMDPUZSAYBAI-UHFFFAOYSA-N 416.506 4.675 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)cs1)C1CC1 12237330 HVZPJTVRJOFALZ-UHFFFAOYSA-N 421.497 4.891 0 40 HJAB COc1ccc(C2(NCc3ccc(OCc4c(C)noc4C)c(OC)c3)CC2)cc1 12238687 NVYFUSHJXIEIKR-UHFFFAOYSA-N 408.498 4.667 0 40 HJAB N=c1sc(Cc2cccc(Cl)c2)cn1CC(=O)c1ccc(Br)cc1 12275968 FJCZDERSGZHKTI-UHFFFAOYSA-N 421.747 4.919 0 40 HJAB COc1cc(C(=O)Nc2ccccc2N2CCCC2=O)cc(Cl)c1OCC(C)C 12870238 ZRVQRQIXWHGUDQ-UHFFFAOYSA-N 416.905 4.763 0 40 HJAB COc1cc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@@H](C)C3)cs2)cc(Cl)c1OC 12942283 CNQUJIXVSRHLOY-BETUJISGSA-N 423.966 4.544 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 17088126 MJXKTQCEBBLLIY-UHFFFAOYSA-N 408.885 4.847 0 40 HJAB Cc1ccc(OCc2nc(CC(=O)Nc3cnc4c(cnn4C(C)C)c3)cs2)cc1 17574874 FALIWRMYBVVOOA-UHFFFAOYSA-N 421.526 4.537 0 40 HJAB Cc1ccc2c(CSc3nnc([C@H]4COc5ccccc5O4)o3)cc(=O)oc2c1C 17658706 LDULVGHMQWDJLS-GOSISDBHSA-N 422.462 4.598 0 40 HJAB COc1ccc(N/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)cc1 17780819 AOMJLHYYDRZZJX-KGENOOAVSA-N 404.853 4.989 0 40 HJAB COc1ccc(-c2ncc(CN[C@@H](Cc3ccsc3)c3ccc(C)cn3)cn2)cc1 19215631 SPYAVLKHOOBYKD-QHCPKHFHSA-N 416.550 4.991 0 40 HJAB O=C(N[C@H](c1ccccn1)C1CCN(Cc2cccc(F)c2)CC1)c1cccs1 19400851 DGYCQQJONPHGGS-QFIPXVFZSA-N 409.530 4.666 0 40 HJAB Cc1nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c(=O)c1Cc1cccc(Cl)c1 20797987 RBILYFZHOHQHGS-UHFFFAOYSA-N 405.889 4.626 0 40 HJAB O=C(OCCOc1ccc(F)cc1)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12 21360125 USNOTLTTWHCGIQ-UHFFFAOYSA-N 421.399 4.505 0 40 HJAB CC[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(OC)cc1 21837129 VXSTVOKSPRHOCG-INIZCTEOSA-N 412.711 4.757 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)c3nc(C(C)(C)C)no3)n2C)cc1 31750076 LYMPMKOIVUBNLR-CQSZACIVSA-N 414.579 4.862 0 40 HJAB O=C(COc1ccc2ccccc2c1Br)N1CCC[C@H]1c1ccncc1 32809329 NBDGTEGKXKZGCF-SFHVURJKSA-N 411.299 4.740 0 40 HJAB O=C(NCCc1nc2ccccc2s1)c1cnc2ccccc2c1C(F)(F)F 32902090 OOSZLXGXEKCUKN-UHFFFAOYSA-N 401.413 4.836 0 40 HJAB Cc1ccc(-c2noc(COc3ccccc3C(=O)NCCc3ccccc3)n2)cc1 33012910 DIZROGFOIYAFJR-UHFFFAOYSA-N 413.477 4.597 0 40 HJAB CCc1cc(C(=O)N2CCC[C@@H](C)C2)c2c(C3CC3)nn(-c3ccccc3F)c2n1 36621661 LRWFETNAHAKTHY-OAHLLOKOSA-N 406.505 4.872 0 40 HJAB O=C(Nc1ccc(Br)cc1F)C1CCN(Cc2ccccc2F)CC1 39772568 ORUKEHFWYSTXPO-UHFFFAOYSA-N 409.274 4.578 0 40 HJAB COc1cccc(OC)c1OC1CCN(Cc2ccc(-n3nc(C)cc3C)cc2)CC1 48299072 PXBHQODWTOYKIQ-UHFFFAOYSA-N 421.541 4.550 0 40 HJAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1coc(NC(=O)c2cccs2)n1 62023081 MFENXXNKCNCSQE-UHFFFAOYSA-N 401.447 4.812 0 40 HJAB CCCN(C(=O)CCc1nc(-c2ccco2)no1)[C@H]1C[C@@H](OCC)C12CCCCC2 78874801 QRCKEXNIJDELPO-RBUKOAKNSA-N 415.534 4.629 0 40 HJAB O=C(Oc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)c1ccc(Cl)cc1Cl 96570027 CXLYDTOYMNAKQT-HZPDHXFCSA-N 418.276 4.892 0 40 HJAB Cc1ccc(C(=O)N2C[C@@H]3[C@@H](CCC[C@@]3(O)c3cccc(C(F)(F)F)c3)C2)s1 105750176 ZETJBZURNMLBCV-JNAXZKDPSA-N 409.473 4.835 0 40 HJAB Cc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1C 107581249 IYUFNHBMQQOKSB-QHCPKHFHSA-N 406.507 4.923 0 40 HJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2cccc(C)c2)no1 219352224 YESOAOHSKTWMNG-OAQYLSRUSA-N 401.466 4.672 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)CC(C)(C)O2 222856078 FGETXHZIFOXHFQ-IFXJQAMLSA-N 403.906 4.843 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C)cc1 224016380 FJWPAMKMBVHPON-XMMPIXPASA-N 424.585 4.660 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 224062512 DLMAAIYJRDJYCJ-XMMPIXPASA-N 408.586 4.612 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 224277732 IIYGDRQAMUPWQC-MRXNPFEDSA-N 421.368 4.725 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 224631303 BHWYDYPSWUSHIF-JOCHJYFZSA-N 412.599 4.667 0 40 HJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1Cl 224953790 JOHHNXJGAUTRPG-VQTJNVASSA-N 412.946 4.568 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1C 225004181 KMGMHTFONWLQBF-QHCPKHFHSA-N 422.569 4.630 0 40 HJAB CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225269164 JQYGUTLWUDWYMF-XMMPIXPASA-N 406.570 4.794 0 40 HJAB CCc1ccc([C@@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 225408779 XAWPUCUJRAGSRE-QGZVFWFLSA-N 408.523 4.541 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 225657886 SIHIZMACGHQJFS-XXBNENTESA-N 412.549 4.707 0 40 HJAB COc1cc(Cl)nc(NC(=S)NCC2(c3cccc(Cl)c3)CCCC2)n1 225981682 UYWDGYSCGXMBEJ-UHFFFAOYSA-N 411.358 4.590 0 40 HJAB O=C(c1ccc(O)nc1)N1CCCC[C@@H]1c1ccc(Cc2ccccc2Cl)nc1 257204850 AWNYCHISEXPTQQ-OAQYLSRUSA-N 407.901 4.794 0 40 HJAB Cc1ccc(C(=O)N2CC[C@@H](Nc3cccc(F)c3)[C@@H](Cc3ccccc3)C2)cn1 257316654 VGLXTEWFNMZKBP-XUZZJYLKSA-N 403.501 4.715 0 40 HJAB COc1ccc([C@]2(O)CC(C)=NN2C(=O)COc2ccc(C3CCCCC3)cc2)cc1 408563537 MVMUHXZPCPKGHO-RUZDIDTESA-N 422.525 4.575 0 40 HJAB CC1=C(C)[C@]2(C)C(=O)C(C)(C)[C@@]1(C)N(C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C 638670 RJSPLZUDWDKBBQ-YADHBBJMSA-N 408.539 4.852 0 40 HJAB Cc1ccc(S(=O)(=O)NC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 985237 XRAKHZTWHXHJSI-UHFFFAOYSA-N 416.886 4.951 0 40 HJAB COc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OCc1ccccc1F 997261 JCEMTZYGONSJLU-BOPFTXTBSA-N 409.438 4.819 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(c1ccccn1)C3=O 2345660 IRFFSRYFEAIRSS-HXUWFJFHSA-N 402.837 4.900 0 40 HJAB CC(C)C(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccc(Cl)cc1)N2 2421113 UGTOXIVUUDKUPL-MSOLQXFVSA-N 413.884 4.811 0 40 HJAB Cc1ccc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)c1 2422173 RGDNEELBTCLQJH-UHFFFAOYSA-N 422.485 4.930 0 40 HJAB Cc1ccc(-c2onc(C(=O)c3cccs3)c2S(=O)(=O)c2ccccc2)cc1 3848879 CFJCETPBFYJESC-UHFFFAOYSA-N 409.488 4.775 0 40 HJAB biogenic Cc1cc(C)cc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2)C3=O)c1 4089125 QSGILUTZTXYVDY-UHFFFAOYSA-N 414.505 4.519 0 40 HJAB O=C(COc1ccc2ccccc2c1)NC[C@@H](c1ccco1)N1CCc2ccccc21 4305123 CKBLDXVNBVQVQR-DEOSSOPVSA-N 412.489 4.732 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c1 4412852 OKVQVYVJTFOSJG-UHFFFAOYSA-N 409.829 4.813 0 40 HJAB Cc1cc(C)cc(N([C@@H]2[C@H]3CC[C@@](C)([C@@H]2O)C3(C)C)S(=O)(=O)c2ccccc2)c1 4521436 XOYOZKHVKVMVIE-AZKZNFPZSA-N 413.583 4.684 0 40 HJAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)s1 4555063 IGYZTHSXFPGWKR-JOCHJYFZSA-N 411.910 4.717 0 40 HJAB CCCCc1nc2sc3c(N[C@@H](CC)CO)nc(SC)nc3c2c2c1CCC2 5477964 BIQJPISUUKYERV-LBPRGKRZSA-N 416.616 4.976 0 40 HJAB CN(C)P(=NC(=O)COc1ccccc1)(N(C)C)C12CC3CC(CC(C3)C1)C2 5525874 LQKSYRMXTZHGQE-UHFFFAOYSA-N 403.507 4.715 0 40 HJAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N[C@H](C)c1ccc(F)cc1 6549786 PQPLQQUUAPCSMH-CABCVRRESA-N 410.518 4.642 0 40 HJAB C[C@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)N(C)Cc1ccco1 6590711 HYOALTIIPLKNOY-MRXNPFEDSA-N 405.523 4.939 0 40 HJAB COc1ccc([C@]2(C(=O)Nc3ccccc3C)CC(=O)N2c2ccc(C)cc2C)cc1 6756905 ZWIXGTMIVSKCBG-SANMLTNESA-N 414.505 4.891 0 40 HJAB Cc1noc(C)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 6784551 WKSGRZKWAOUHFL-UHFFFAOYSA-N 403.360 4.815 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(Cl)cn3)s2)c(C)c1 6832054 SDCZBHDFMACUAB-UHFFFAOYSA-N 405.936 4.678 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2C(F)(F)F)NC(=O)N1C1CC1 8193890 REHBOYWFQDDVOR-IBGZPJMESA-N 415.415 4.847 0 40 HJAB Cc1cc(C)c(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c(Cl)c1 8393405 SUFZQWDOQJCWGE-UHFFFAOYSA-N 403.869 4.908 0 40 HJAB O=C(COc1ccc(Br)cc1)N(Cc1ccc(F)cc1)Cc1ccco1 8915729 BCGWCFXIQXFPCT-UHFFFAOYSA-N 418.262 4.789 0 40 HJAB O=C(NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1ccc(C(F)(F)F)cc1 9040324 AXYBWJKDWDBMMH-LBPRGKRZSA-N 411.811 4.533 0 40 HJAB Cc1[nH]cnc1-c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 9636188 MXWOGVWUBZHPHR-UHFFFAOYSA-N 409.280 4.624 0 40 HJAB O=C(NCCc1ccc(OC(F)F)cc1)c1cc(Br)ccc1Cl 9670837 MLNOVQRDTVRXNX-UHFFFAOYSA-N 404.638 4.676 0 40 HJAB CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900348 LDVWXWKIQDHLDW-QRQCRPRQSA-N 423.944 4.551 0 40 HJAB NC(=O)c1cc(Cl)ccc1OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 11114181 CKAPIVOTNLCRPR-QFIPXVFZSA-N 413.832 4.765 0 40 HJAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 12903835 DIWPNKLNVQSBEM-UHFFFAOYSA-N 422.916 4.927 0 40 HJAB Cn1cccc1[C@@H]1CCCN1Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 12979606 TULHHXWVLOSNCN-SFHVURJKSA-N 424.957 4.981 0 40 HJAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 13494989 MNRAJBYQDYHTFM-ZDUSSCGKSA-N 419.934 4.727 0 40 HJAB COc1ccc(Cl)c2sc(N(Cc3ccccc3)C(=O)c3ccnn3C)nc12 13655713 BWSXRWPIYWLNEF-UHFFFAOYSA-N 412.902 4.539 0 40 HJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccc(Cn2cncn2)cc1 13719163 DGQKRAWXDYOXSZ-UHFFFAOYSA-N 409.902 4.664 0 40 HJAB CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]2ON1c1ccccc1 13757851 ZWVOJGSNYJKDCJ-QQUTXWOLSA-N 406.526 4.890 0 40 HJAB O=C(Oc1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)c1ccc(Cl)cc1Cl 13845377 CXLYDTOYMNAKQT-IYBDPMFKSA-N 418.276 4.892 0 40 HJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)c1ncnc2sc3c(c12)CCCC3 14244057 MYVYPBWPVNPOFL-UHFFFAOYSA-N 421.353 4.952 0 40 HJAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)N2CCC(C)CC2)o1 15860519 PCXQIKFYCIGNAO-FQEVSTJZSA-N 422.525 4.514 0 40 HJAB CN(C)C(=S)S[C@H]1C(=O)c2cc(Br)ccc2O[C@H]1c1ccccc1 16163086 CGJPGHHUDOQHAA-IRXDYDNUSA-N 422.369 4.714 0 40 HJAB COc1ccc(C)cc1CN1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 19133387 FFUFRNCBEZQEJL-WMZHIEFXSA-N 409.574 4.514 0 40 HJAB Fc1cccc(CN2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)c1F 19292710 JMVZARVVZMUOKJ-UHFFFAOYSA-N 421.495 4.771 0 40 HJAB COc1cc2c(cc1CN[C@H](Cc1cccs1)c1nc(C)c(C)s1)OCO2 19559630 WRJQEDVZVLWWLE-MRXNPFEDSA-N 402.541 4.632 0 40 HJAB COC(=O)CCC(=O)Nc1cc(C(F)(F)F)cc2c1S[C@H]1Nc3ccccc3N21 20220502 URVROCRAPQWHNE-SFHVURJKSA-N 423.416 4.550 0 40 HJAB Cc1cc(CN(C)C(=O)[C@@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)no1 25135299 IXBPEPSFSCHHJA-INIZCTEOSA-N 403.832 4.750 0 40 HJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccccc1OC(F)(F)F 26533962 UYKOQIJNGXFWTK-UHFFFAOYSA-N 406.326 4.946 0 40 HJAB C[C@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1 28804082 RWNRNLXYPZDQPD-CPJSRVTESA-N 423.560 4.863 0 40 HJAB O=C(Nc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 30850749 GZQBIIJAQJCEEN-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB COC(=O)c1ccc(S(=O)(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1 32811024 XJYHSGVGZGDNEU-UHFFFAOYSA-N 410.491 4.567 0 40 HJAB Cc1cccc(/C=C/C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)c1 32931691 NYDIYPPXKLKEPW-ZPHJMFTNSA-N 409.505 4.599 0 40 HJAB COc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)no2)c1 33327385 KMGKBJDKMMQNKL-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1 38753433 MOABOMBDVAVVOW-QHCPKHFHSA-N 422.550 4.701 0 40 HJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccc(CN4CCCCC4)cc3)cc2)C1 38831707 WJUVVGJLJVJPBO-JOCHJYFZSA-N 419.613 4.834 0 40 HJAB c1nc(Sc2nnc(NC[C@H]3CCCO3)s2)c2c3c(sc2n1)CCCCC3 40004985 WILFLENNBAXXBX-LLVKDONJSA-N 419.601 4.554 0 40 HJAB CCN(CC)[C@H](CNC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccsc1 40103893 XGLBNJGPCWMVBF-GOSISDBHSA-N 415.559 4.994 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)N[C@H](C)c2cccc(OC(C)C)c2)no1 40112754 NJDLAOHHAZBVMO-MRXNPFEDSA-N 411.527 4.949 0 40 HJAB COCc1c(C(=O)Nc2nc(-c3cccn3C)cs2)sc2cccc(F)c12 41341456 DICGSAHQOOTSPL-UHFFFAOYSA-N 401.488 4.901 0 40 HJAB O=C([C@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 44774348 HNABUJFAICMZBN-UXHICEINSA-N 403.551 4.695 0 40 HJAB O=C(c1cc(-c2cccc3ccccc23)[nH]n1)N1CCN(c2ccc(Cl)cc2)CC1 44838824 UJZIKDGUUYAOBF-UHFFFAOYSA-N 416.912 4.846 0 40 HJAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCN(Cc3ccc(F)cc3)C1)CC(C)(C)O2 44855212 FEHJMIGOEQMILR-KNQAVFIVSA-N 410.533 4.765 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1SCC(O)=Nc2c1cnn2C(C)(C)C 49549807 WLBWQEXABNRTOZ-HXUWFJFHSA-N 409.559 4.924 0 40 HJAB CCOc1ccc(-c2noc(-c3nn(-c4ccccc4)c(=O)c4ccccc34)n2)cc1 64949539 FLWMHQNSZPRQOY-UHFFFAOYSA-N 410.433 4.501 0 40 HJAB CCc1ccc(-c2noc(-c3nn(-c4ccc(OC)cc4)c(=O)c4ccccc34)n2)cc1 64949675 YEXTVYZTBFWKEB-UHFFFAOYSA-N 424.460 4.674 0 40 HJAB COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)cc1 67259261 QDYZIFOWMIAXGJ-UHFFFAOYSA-N 406.482 4.885 0 40 HJAB CC[C@@H](C)n1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2ccsc2c1=O 67335122 BKPMMHMJCUODFI-CQSZACIVSA-N 401.557 4.777 0 40 HJAB C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O 70670014 CGSTWGORIYPEBG-YXSXJYGWSA-N 415.662 4.707 0 40 HJAB biogenic CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1)C1CC1 72215389 VLUAUGNOIAFQOE-FQEVSTJZSA-N 407.514 4.963 0 40 HJAB CCCC(=O)N1CCC(Cc2cccc(-c3ccccc3C)c2)(C(=O)N(C)C)CC1 72345308 UDIANRVFKLVWCL-UHFFFAOYSA-N 406.570 4.702 0 40 HJAB CC(=O)N1CCC(N2CCC[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)CC1 72350214 LGAMKLRJYADPFK-HXUWFJFHSA-N 411.977 4.516 0 40 HJAB CC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4ccccc4)nc3C)cc2s1 84028871 JHZDFPSFBNVKKK-UHFFFAOYSA-N 402.479 4.877 0 40 HJAB O=C(c1cc2sccc2s1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 84497987 QOWZQQNEXXGCLP-UHFFFAOYSA-N 424.469 4.580 0 40 HJAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 95883180 FVSCORJZWBTFIU-HNNXBMFYSA-N 407.539 4.865 0 40 HJAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)NC1CCN(c2nccs2)CC1 96099810 NBWVNOZTIVJBKM-UHFFFAOYSA-N 417.884 4.533 0 40 HJAB COc1cccc(-c2cccc(CN3C[C@@H]4CCC[C@@H](C3)C4(O)c3ccccn3)c2)c1 100149133 LBNDXIJOECADRH-ZEQRLZLVSA-N 414.549 4.877 0 40 HJAB COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 222932355 NJLWNRPMBNWXFS-VXKWHMMOSA-N 406.555 4.509 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 223949250 QQBMMZZXCPCNQG-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)cc1 224136930 QTRJTBCNRDXYKI-OAQYLSRUSA-N 408.586 4.680 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 224939532 JLVSNHLIPVJULB-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB CCOC(=O)c1cc(NC(=S)NCCSc2ccc(C)cc2)ccc1Cl 225286889 OBHRPVSJHDXAAM-UHFFFAOYSA-N 408.976 4.904 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCSCc2ccccc2)c1 225598223 NKOJUGUBLLHMAH-UHFFFAOYSA-N 408.976 4.737 0 40 HJAB COC(=O)c1ccc(C)c(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1 225810374 WTIQUKVIWSGCLW-UHFFFAOYSA-N 400.519 4.719 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1 408670608 IQZBELLKHIHFDQ-BOUXLOLZSA-N 408.885 4.602 0 40 HJAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)c1ccccc1 409003336 RXODRHWJILZVAA-NTKDMRAZSA-N 414.505 4.628 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(Cl)c1O 409007364 POBKFFHWDZFJRW-ATVHPVEESA-N 403.887 4.723 0 40 HJAB Cc1nc(-c2cccc(-c3noc(-c4ccc(-c5ccsc5)nc4C)n3)c2)n[nH]1 545037332 MIGWVZGYGLQCCY-UHFFFAOYSA-N 400.467 4.929 0 40 HJAB FC(F)(F)c1cnc(NCc2nc(COc3ccc(Cl)cc3)n[nH]2)c(Cl)c1 575447759 SXTRYYMHFIYYAH-UHFFFAOYSA-N 418.206 4.716 0 40 HJAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1csc2ccc(Cl)cc12 1655975189 HUKWXHUJMFJJLO-GOSISDBHSA-N 417.939 4.720 0 40 HJAB O=S(=O)(c1ccccc1)N1CCS[C@H]1c1ccc(OCc2ccccc2)cc1 629174 AWDHSJXUCMFBKP-QFIPXVFZSA-N 411.548 4.702 0 40 HJAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cccc(C(F)(F)F)c1 949605 BOYHPTWXAKLHDZ-UHFFFAOYSA-N 418.371 4.961 0 40 HJAB O=C(c1cccs1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc2c(c1)OCO2 1084940 LCWFYSLKYMSEDJ-QFIPXVFZSA-N 402.475 4.746 0 40 HJAB Cc1nc(SCC(=O)N2CCc3ccccc32)c2c3c(sc2n1)C[C@H](C)CC3 1326233 ZZSLJGZWBCTIIY-CYBMUJFWSA-N 409.580 4.806 0 40 HJAB COc1ccc(-c2oc3ccc(C)cc3c(=O)c2OCC(=O)NC2CCCCC2)cc1 1951743 SKLGAGXZHWODPB-UHFFFAOYSA-N 421.493 4.605 0 40 HJAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 2246685 JGZJKYRMJYBJCL-LJQANCHMSA-N 418.474 4.625 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(Cl)c1)N(C[C@H]1CCCO1)C3=O 2421836 SGSOBPFEIVZVFE-UTKZUKDTSA-N 423.896 4.787 0 40 HJAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2Cl)N2C(=O)[C@H](C)SC2=N1 2701708 YQXRMLNCJYTHIF-BONVTDFDSA-N 413.326 4.594 0 40 HJAB CC[C@H](C)c1ccc(NC(=O)COC(=O)Cc2ccc(Br)cc2)cc1 3217737 RMVSKQAKZRFLHU-AWEZNQCLSA-N 404.304 4.687 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 3326605 YYOOZYVRPAIFBL-UHFFFAOYSA-N 413.521 4.836 0 40 HJAB O=C(COc1ccc2ccccc2c1)NC[C@H](c1ccco1)N1CCc2ccccc21 4305128 CKBLDXVNBVQVQR-XMMPIXPASA-N 412.489 4.732 0 40 HJAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccccc32)cc1C 4555140 YLHZUMNJDBYLSB-MHZLTWQESA-N 413.517 4.928 0 40 HJAB CCCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 4696243 XFRIUYUCQBAIAQ-UHFFFAOYSA-N 402.450 4.758 0 40 HJAB COc1ccccc1[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccccc2)c2ncnn21 4816912 JOWJCHUXLVORPK-FCHUYYIVSA-N 410.477 4.668 0 40 HJAB CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3sccc3c2)cc1 5373286 RKTSHTBLDSSDNO-UHFFFAOYSA-N 414.552 4.717 0 40 HJAB C[C@@H](C(=O)Nc1ccccc1Cl)n1cnc2sc(-c3ccccc3)cc2c1=O 5553345 WDURXACDWJHCOO-ZDUSSCGKSA-N 409.898 4.978 0 40 HJAB Cc1nnc(S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)O)[nH]1 5721352 OTMXJCFKXOZDOV-LICLKQGHSA-N 401.875 4.563 0 40 HJAB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 5753751 SODNTYOVNNMMJL-SFHVURJKSA-N 404.297 4.877 0 40 HJAB Cn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccco1 5864396 QJIYTBQSWQKUPM-UHFFFAOYSA-N 406.467 4.598 0 40 HJAB CC(C)c1ccc(OCC(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1 5977316 JLWDUKHNHBOFGJ-UHFFFAOYSA-N 413.326 4.714 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c(C)n1Cc1cccs1 6100192 YYSGYIIOPKQHEM-UHFFFAOYSA-N 410.524 4.635 0 40 HJAB COc1ccc(-n2c(C)nnc2SCc2nc(-c3ccc(Cl)cc3)no2)cc1 6804364 KPADXNCYQRHUDI-UHFFFAOYSA-N 413.890 4.580 0 40 HJAB O=c1c2cccnc2nc(SCc2ccc(F)cc2)n1Cc1ccccc1Cl 6805022 YIIBMAJZJGOXFE-UHFFFAOYSA-N 411.889 4.925 0 40 HJAB Cc1nc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)sc1C(=O)N(C)C 6875918 JQQLWAPXCBNJBI-INIZCTEOSA-N 414.918 4.755 0 40 HJAB Cc1cc(NC(=O)[C@@H](C)Sc2nc(Nc3ccccc3)c3ccccc3n2)no1 7185326 YFZZFDDUCFZSMI-CQSZACIVSA-N 405.483 4.789 0 40 HJAB COc1ccc(CN(Cc2cccs2)C(=O)c2cccc(N(C)C)c2)cc1OC 7780531 XRECBKKDICHOIA-UHFFFAOYSA-N 410.539 4.674 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C 8230267 YVFNBJGDXVHMHE-UHFFFAOYSA-N 415.946 4.745 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(CN3CCCC3=O)c2)cc1 8343122 ULZDBYASXOAGDD-QHCPKHFHSA-N 406.526 4.575 0 40 HJAB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 8393371 TVKJWAFLMMKJCC-INIZCTEOSA-N 419.481 4.885 0 40 HJAB CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1Br 9209872 QUJMETPMRVYAFW-UHFFFAOYSA-N 413.315 4.732 0 40 HJAB O=C1c2ccccc2N[C@H](c2cccc(Cl)c2)N1c1ccc(N2CCOCC2)cc1 9423871 BPTAXQZJHGPBES-QHCPKHFHSA-N 419.912 4.948 0 40 HJAB C[C@@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)NCC1CCCCC1 9464397 JBMCVNSTAQBGJY-GFCCVEGCSA-N 424.364 4.676 0 40 HJAB Cc1noc(C)c1CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 9884297 BHQOPNBDNGYOBZ-UHFFFAOYSA-N 417.387 4.744 0 40 HJAB COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(OCc2cscn2)cc1 10279905 MQLWHPKFHXJYOD-UHFFFAOYSA-N 402.903 4.656 0 40 HJAB O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1cccc2ncccc12 10428193 DUQJVFWLITWDHR-UHFFFAOYSA-N 411.487 4.700 0 40 HJAB CCn1c(NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)nc2ccccc21 10652068 BVEPTYTWBSHAFR-UHFFFAOYSA-N 422.510 4.758 0 40 HJAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 12140057 HHYLBQXORLKJCV-UHFFFAOYSA-N 415.342 4.666 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc2nnsc2c1 12274820 HPYFVRTULKSUIQ-UHFFFAOYSA-N 409.492 4.849 0 40 HJAB CC(C)c1nc2oc3c(=O)n(Cc4ccccc4F)cnc3c2c2c1COC(C)(C)C2 12324997 FQLICPBXZNOEAR-UHFFFAOYSA-N 421.472 4.700 0 40 HJAB C[C@H]1CN(c2ncnc3scc(-c4ccc(Br)cc4)c23)C[C@@H](C)O1 12418070 YBNZRPRBCVXOSG-TXEJJXNPSA-N 404.333 4.734 0 40 HJAB COc1ccc(C(=O)N2N=C(c3cccs3)C[C@H]2c2ccc3nccnc3c2)cc1 12420944 WORYWOJRTMHZMZ-NRFANRHFSA-N 414.490 4.691 0 40 HJAB O=C(Nc1ncc(Cc2ccccc2)s1)C1CCN(c2nc3ccccc3o2)CC1 12763249 ZPJTZYOFTSNAOY-UHFFFAOYSA-N 418.522 4.730 0 40 HJAB CC(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(C(C)C)c1 12801410 VWLKFBHJUUDVIP-UHFFFAOYSA-N 400.544 4.626 0 40 HJAB O=C(Cc1ccc(-c2ccccc2)cc1)OCc1nc2cc(Cl)ccc2c(=O)[nH]1 12856793 WDOUYLXLZXLDDL-UHFFFAOYSA-N 404.853 4.529 0 40 HJAB O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)Nc1nccs1 13654485 PFZPALSTXFYJPE-UHFFFAOYSA-N 412.854 4.587 0 40 HJAB CC1(C)CC(N(Cc2ccccn2)Cc2ccc(Br)o2)CC(C)(C)N1 13992635 PVUMASCHWQWTOB-UHFFFAOYSA-N 406.368 4.749 0 40 HJAB COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 13999437 RAZIDVWAILGOLK-GVJQPLCZSA-N 400.478 4.838 0 40 HJAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1csc(-c2ccsc2)n1 14022203 OITMKZDALGMMPU-UHFFFAOYSA-N 407.520 4.736 0 40 HJAB Cc1ccc([C@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(Cl)cc2)o1 15412861 IDRAQBGDOSEBIL-QFIPXVFZSA-N 408.885 4.979 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1cccc2ccccc12 16544986 TXOIGJCXAZFRJD-UHFFFAOYSA-N 424.507 4.741 0 40 HJAB O=C(CNC(=O)c1ccccc1Nc1ccccc1)Nc1ccccc1Br 16685441 RUDYSRRVNRXCEV-UHFFFAOYSA-N 424.298 4.561 0 40 HJAB O=C(NC(=S)NNc1ccccc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 17083329 CWQKTSOIRJPNMV-UHFFFAOYSA-N 406.294 4.885 0 40 HJAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4F)ccc3O)oc2c1 17092658 APAMSKOSUNWNPH-UHFFFAOYSA-N 421.453 4.775 0 40 HJAB O=C(NCCc1cccc(Cl)c1)c1ccc(OCc2cn3ccccc3n2)cc1 18106169 UVSNTBDPUBNTJJ-UHFFFAOYSA-N 405.885 4.539 0 40 HJAB O=C(c1cc(F)cc(F)c1)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 19405743 OYGDOMQVEPYSTL-UHFFFAOYSA-N 420.463 4.714 0 40 HJAB CC(C)CC(=O)N1CC[C@@](Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)C1 19446220 XHAYWXQKJFASMA-DEOSSOPVSA-N 412.599 4.747 0 40 HJAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccco4)cc3n2)c(C)c1 20611073 ZDBCINBLIQOTMW-UHFFFAOYSA-N 403.486 4.729 0 40 HJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccccc1F 21580069 VQYUYHTZZGFZHT-UHFFFAOYSA-N 420.469 4.504 0 40 HJAB O=C(Nc1nnc(SCc2ccccc2)s1)c1cc(-c2cccs2)on1 21786034 RVJHUYIOQBJLSC-UHFFFAOYSA-N 400.510 4.799 0 40 HJAB CCn1cc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)c2cc(C(F)(F)F)ccc21 22237040 GWPNCISKAVVZFG-IBGZPJMESA-N 414.427 4.848 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955232 WLSASPGHFZGZKU-UHFFFAOYSA-N 410.905 4.549 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nc(C)nc3c2cnn3-c2ccccc2)c(C)c1 32679789 PKFAKNDBZZMLIE-UHFFFAOYSA-N 417.538 4.780 0 40 HJAB NC(=O)c1cc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)ccc1F 33065328 YKSFPDPCPCJUOA-UHFFFAOYSA-N 407.426 4.560 0 40 HJAB CCc1nn2c(ncc3c(=O)n(Cc4ccc(Cl)cc4)ccc32)c1-c1ccccc1 40387836 SYEAWOQHHHBJPB-UHFFFAOYSA-N 414.896 4.975 0 40 HJAB Cc1cccc(CN2CCC(C(=O)N[C@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)c1 44855374 FLBDHGNGJGWXPA-QHCPKHFHSA-N 406.570 4.934 0 40 HJAB Cc1cc(-c2cc(C(=O)NCc3ccc(O)cc3)c3cnn(C(C)C)c3n2)c(C)s1 45853188 VYAQLEKVNPZDIB-UHFFFAOYSA-N 420.538 4.993 0 40 HJAB COc1ccccc1CNc1ncc(-c2ccc(Cl)cc2)c(-c2nccn2C)n1 57775084 KUHXEKKFQFETEW-UHFFFAOYSA-N 405.889 4.818 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 60062870 IDTUFPZKNRRKCO-QGZVFWFLSA-N 406.269 4.739 0 40 HJAB O=C(C1CCCC1)N1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 72371384 NUDQXPYSTHBHQC-INIZCTEOSA-N 421.463 4.556 0 40 HJAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1csc(COc2ccccc2)n1 79052820 CGSYSZMGKDIKAR-RTBURBONSA-N 417.575 4.648 0 40 HJAB CCOC(=O)c1ccccc1NC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102181392 SHQQKTPAPUINAN-VKFLQFAXSA-N 420.347 4.926 0 40 HJAB CC1=NN(c2ccccc2)[C@H]2O[C@@]3(C)C[C@](C)(Oc4c3c(C)nn4-c3ccccc3)[C@@H]12 102782045 IEIBUZSTLRNBJL-OQYVESBJSA-N 414.509 4.806 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 222471456 KQWQSZOZBILHDN-GBXCKJPGSA-N 424.585 4.658 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 222530656 WPSTXIYPSQZSPM-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB Cc1cc(C)cc(N(CCCC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)c1 222570797 KDAOFSGYNHLRCC-UHFFFAOYSA-N 416.587 4.920 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1Cc1ccco1 223354575 LPEVOTZMZACNFX-FCHUYYIVSA-N 400.507 4.638 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1 223941544 PYZOYZGJIASGSO-QHCPKHFHSA-N 420.534 4.603 0 40 HJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)ccc1NC(=O)C(C)C 224077590 NJNIWBXMMXXOPJ-RTWAWAEBSA-N 420.538 4.755 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(C(C)C)C(C)C)cc2C)cc1 224207454 LLYGQJGIXDSLTL-UHFFFAOYSA-N 416.587 4.539 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 224619311 HYNUXFYTJQFNPX-DEOSSOPVSA-N 408.586 4.734 0 40 HJAB O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1ccc(Cn2ccnc2)cc1 225462209 KILOJVIERVETEH-JOCHJYFZSA-N 401.510 4.888 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 225572931 RTAWFQHPZIMBHM-XMSQKQJNSA-N 414.977 4.913 0 40 HJAB O=C(NCCSC1CCCCC1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225578679 JDRFKPJEBPQSRU-UHFFFAOYSA-N 413.002 4.873 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 225593037 RCUCIEXLRDCZNK-IBGZPJMESA-N 420.528 4.853 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N3[C@H](C)CCC[C@H]3C)o2)cc1 245263924 BODJKDPEMNQPHP-BRWVUGGUSA-N 416.591 4.853 0 40 HJAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccnc3ccccc23)C1 257277612 NYSOWCJRIJGYNO-QGZVFWFLSA-N 401.535 4.799 0 40 HJAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cc(C(C)(C)C)n[nH]3)o2)c1 257335842 YMBYLZBWOYSHOI-FQEVSTJZSA-N 422.529 4.662 0 40 HJAB O=C(CCCC(=O)OCC(=O)Nc1cccc2ccccc12)Nc1ccc(Cl)cc1 408664051 IVCWYWLBMNLEHW-UHFFFAOYSA-N 424.884 4.784 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1 408678256 HYYKWKIOLSOTQJ-HNNXBMFYSA-N 415.658 4.741 0 40 HJAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C1=O 409231178 IOAVZBGLSRZNMF-LDADJPATSA-N 414.889 4.620 0 40 HJAB CC(C)c1cnc(Nc2cccc([C@@H]3CN(C(=O)OC(C)(C)C)CCO3)n2)s1 2037835842 BRYYQVRWHKQYBI-HNNXBMFYSA-N 404.536 4.714 0 40 HJAB COC(=O)c1c(NC(=O)c2cccc(Br)c2)sc2c1CCCCC2 669659 ZFEJEXAPTXKFPZ-UHFFFAOYSA-N 408.317 4.818 0 40 HJAB CCCN(CCC)C(=O)c1sc(NC(=O)c2cccc(C)c2)c(C(=O)OC)c1C 871541 RCKDRTXFSFGIDK-UHFFFAOYSA-N 416.543 4.666 0 40 HJAB CCOC(=O)c1c(NC(=O)c2nn(C)cc2Cl)sc2c1CC[C@H](C(C)(C)C)C2 998618 CWUXISARQHOXJQ-NSHDSACASA-N 423.966 4.715 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1-c1ccc(F)cc1)Nc1ccccc1 1076217 VOUAVIKTRIMVRY-UHFFFAOYSA-N 410.499 4.866 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2)c(C)c1 1105198 JCVGRPWXTLCJPR-UHFFFAOYSA-N 402.479 4.633 0 40 HJAB O=C(CSc1ccc(-c2nc3ccccc3[nH]2)cn1)Nc1ccc2c(c1)CCC2 1329725 NMKDCWYNONYEMS-UHFFFAOYSA-N 400.507 4.844 0 40 HJAB Nc1c(C(=O)Nc2ccc(Br)cn2)sc2nc3c(cc12)CCCCC3 1438714 MIWRJCOICYPKKU-UHFFFAOYSA-N 417.332 4.557 0 40 HJAB CCCNC(=O)c1nn2c(c1Cl)N[C@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F 2088272 BQHRKHFEYMCXRR-STQMWFEESA-N 400.832 4.645 0 40 HJAB Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(F)cc2)sc1C 2251122 SYPFIQLWSAWNAF-GOSISDBHSA-N 406.438 4.755 0 40 HJAB COc1cccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(OC)ccc32)c1 2689917 BNMNLQVJFVABEV-UHFFFAOYSA-N 413.473 4.606 0 40 HJAB O=C1O[C@H](Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c2ccccc21 2797810 OIKOJRJKWBKXCS-HNNXBMFYSA-N 421.293 4.850 0 40 HJAB CCOC(=O)C1=C2Sc3ccccc3N2[C@](c2ccccc2)(C(F)(F)F)N=C1O 3261809 CEOJZHTZLXOHGU-LJQANCHMSA-N 420.412 4.759 0 40 HJAB COc1ccccc1-c1nnc(SCC(=O)c2ccc(Cl)cc2Cl)n1C 3303845 MLEFMLYAHLOTME-UHFFFAOYSA-N 408.310 4.773 0 40 HJAB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)NCCC1=CCCCC1 3393794 FEHQAOIHUXGEQN-NBVRZTHBSA-N 401.553 4.900 0 40 HJAB O=C(COc1ccc2ccccc2c1)Nc1ccc(C(=O)NCc2ccccc2)cc1 4666563 KKSFSBGFEIUIOE-UHFFFAOYSA-N 410.473 4.787 0 40 HJAB CC(=O)N1CCC2(CC1)Oc1c(C)cccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 5478477 QOGKGRMVEJTAOK-NRFANRHFSA-N 409.917 4.531 0 40 HJAB CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2c(F)cccc2Cl)NC(=S)N1 6046815 GNPGHBRKPYVROK-MRXNPFEDSA-N 410.301 4.564 0 40 HJAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1 6395795 WQBOKLISAKBTCE-UHFFFAOYSA-N 417.490 4.939 0 40 HJAB CCN1C(=O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])S/C1=N/c1ccc(OC)cc1 6954361 QNQRTZOSXMVGMY-AWYLZDGESA-N 409.467 4.784 0 40 HJAB CCn1c(SCC(=O)N(Cc2ccccc2)Cc2ccco2)nc2ccccc21 7153887 VEUKRMLUOKUQHI-UHFFFAOYSA-N 405.523 4.970 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1ccc(C(C)(C)C)cc1 7791181 ADUSWNGTBAHMFF-UHFFFAOYSA-N 404.558 4.857 0 40 HJAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 7881880 ZGQNANCEEFUYNS-JTQLQIEISA-N 413.688 4.647 0 40 HJAB CC(C)[C@@H](NC(=O)Cc1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 7986457 CEZGQFGSIYRKCL-HXUWFJFHSA-N 408.502 4.882 0 40 HJAB COC(=O)[C@@H](C)Sc1nnc(-c2cccc(Cl)c2)n1-c1cc(C)ccc1C 8132844 MMPAWFHYWCTGGB-CQSZACIVSA-N 401.919 4.858 0 40 HJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1ncc2ccccn12 8706442 SVQRDOGMGJUEHO-UHFFFAOYSA-N 409.433 4.873 0 40 HJAB Cc1nc(-c2ccc(CNC(=O)c3c(C)nn(Cc4ccccc4)c3C)s2)cs1 9218745 JLPVPIRXPKUQSD-UHFFFAOYSA-N 422.579 4.972 0 40 HJAB Cc1cc(C(=O)CSc2nncn2-c2ccccc2)c(C)n1CCc1cccs1 9866636 ZJUHOIBTZZQDJX-UHFFFAOYSA-N 422.579 4.965 0 40 HJAB CCCc1ccc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)s1 12242164 NUBKBPPGYFIWFG-IBGZPJMESA-N 406.555 4.996 0 40 HJAB Cc1ccc(-c2nc(C)sc2CC(=O)N[C@H](c2ccccc2)c2nccn2C)cc1 12547401 STKPNBMJCQZHLG-HSZRJFAPSA-N 416.550 4.609 0 40 HJAB COc1ccccc1/C=C(/C(=O)OCC(=O)N1[C@@H](C)CCC[C@H]1C)c1ccccc1 12600789 CXELLKOVNDDUSA-JMSUOVGUSA-N 407.510 4.569 0 40 HJAB COc1cccc(-c2nc(C(=O)Nc3ccc(Br)cc3)cs2)c1OC 12823817 DORFJVDBKIOWHK-UHFFFAOYSA-N 419.300 4.842 0 40 HJAB COc1ccc(-c2cc(CC(=O)Nc3cccc(C(F)(F)F)c3)no2)cc1OC 12868002 XISGMCXMHIRLHG-UHFFFAOYSA-N 406.360 4.559 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 12877851 RMRZJSFLHXXKQG-UHFFFAOYSA-N 416.308 4.637 0 40 HJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 12912033 WABZPQCDFDGJJS-HNNXBMFYSA-N 410.543 4.520 0 40 HJAB C[C@H](NC(=O)NCCCCCCNC(=O)N[C@H](C)c1ccccc1)c1ccccc1 13302693 OTHUDWXXFBTNND-BGYRXZFFSA-N 410.562 4.668 0 40 HJAB biogenic COc1ccc2c(C)c(CC(=O)Nc3ccc(Cl)cc3Cl)c(=O)oc2c1C 13574183 MGSONPRWKHUQHV-UHFFFAOYSA-N 406.265 4.906 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 13679649 XWLKEPKXTHSCKJ-UHFFFAOYSA-N 406.916 4.763 0 40 HJAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cn3)c12 13961320 RPZWNCLYEQLERA-UHFFFAOYSA-N 403.873 4.907 0 40 HJAB COc1ccc(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 14400486 KCTNCRKDLJWGQQ-CYBMUJFWSA-N 414.354 4.819 0 40 HJAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccccc1Oc1ccccc1 15966158 KLVZDIQZXUEMBZ-UHFFFAOYSA-N 414.383 4.607 0 40 HJAB O=S(=O)(Nc1ccc(Br)cc1Cl)c1ccccc1C(F)(F)F 16096291 HAYQHBSEXJFVFJ-UHFFFAOYSA-N 414.630 4.922 0 40 HJAB O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(c2ccc(Cl)cc2)CC1 16780684 SDZFNEGBWBYELN-XMMPIXPASA-N 422.956 4.569 0 40 HJAB Cc1cc(-c2snnc2[C@H]2CCCN(Cc3ccccc3C(F)(F)F)C2)on1 19120794 AHGFYMMTQYXKFE-AWEZNQCLSA-N 408.449 4.900 0 40 HJAB Cc1[nH]c2ccc(C(=O)N3CCC[C@]4(CCC(=O)N4)[C@H]3c3cccc(F)c3)cc2c1C 19576809 RAOKXPJIJVVVLZ-NOZRDPDXSA-N 419.500 4.550 0 40 HJAB COc1cccc(-c2nc3c(s2)CN(C(=O)CCCc2ccc(F)cc2)CC3)c1 19719909 WIAHWGWUYDRLID-UHFFFAOYSA-N 410.514 4.865 0 40 HJAB COc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1-c1ccc(CO)o1 20144130 NARMSYZPYBBCTO-UHFFFAOYSA-N 409.482 4.897 0 40 HJAB Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(C)cc2)C4)cc1 20632466 UOQJWHVAGPODLU-LJQANCHMSA-N 414.534 4.946 0 40 HJAB C[C@H](C(=O)NC1CCCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22935897 SDIMBWRNDARQOQ-JOCHJYFZSA-N 419.613 4.621 0 40 HJAB Cc1noc(COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)n1 24327032 YOJAMACQIMKPGU-VAWYXSNFSA-N 414.465 4.604 0 40 HJAB CCOc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(C)c4ccccc43)cc2)cc1 25463804 RZWSGYWOACMFLV-JOCHJYFZSA-N 416.477 4.966 0 40 HJAB O=C(Nc1ccc(OC[C@H](O)COCc2ccccc2Cl)cc1)c1cccs1 27213922 FONIODCZIDIYNC-QGZVFWFLSA-N 417.914 4.610 0 40 HJAB Cc1nn(Cc2ccc(C(=O)Nc3ccccc3F)cc2)c(C)c1Br 27970087 COZYESYPNOMPJD-UHFFFAOYSA-N 402.267 4.702 0 40 HJAB CCc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)N2CCCC2)cc1 28293027 DAZZGWICEXMXOP-QFIPXVFZSA-N 418.537 4.539 0 40 HJAB Cc1ccccc1NC(=O)Nc1nn(Cc2ccccc2F)cc1Br 28579570 XLBAXDMNFMBCNX-UHFFFAOYSA-N 403.255 4.785 0 40 HJAB COc1cccc(Cn2nc(C)c(NC(=O)c3ccccc3Br)c2C)c1 32609742 LHLOKGVYBYSDDS-UHFFFAOYSA-N 414.303 4.572 0 40 HJAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC(c2nc3ccccc3s2)CC1 32856113 YSSHTHZMRVEISO-INIZCTEOSA-N 411.546 4.834 0 40 HJAB CCc1ccc(Oc2cc(N3CCC(C(=O)N[C@H]4CCCC[C@@H]4C)CC3)ncn2)cc1 33311972 ZIKAISIEGXXOFF-AVRDEDQJSA-N 422.573 4.743 0 40 HJAB C[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)c1ccc(NC(=O)C2CC2)cc1 36393997 DWYUIXANAMYTFD-QWHCGFSZSA-N 421.324 4.987 0 40 HJAB CSc1ccc(CN(C)C(=O)Nc2cc3c(cc2Br)OCCO3)cc1 40103733 WYDHXKRZVZYCCL-UHFFFAOYSA-N 423.332 4.606 0 40 HJAB Cc1ccc(/C=C/C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)s1 40106678 IUIMRIWKWXQHQY-OUKQBFOZSA-N 412.536 4.818 0 40 HJAB COc1ccc(C)cc1NC(=O)CN[C@H](c1ccc2c(c1)CCC2)c1cccs1 57315475 GRQDNAIPRQVPEF-XMMPIXPASA-N 406.551 4.872 0 40 HJAB CCCn1c(SCC(=O)Nc2c(C)cccc2Cl)nc2ccsc2c1=O 57425311 DKCOIHCCUUUHLC-UHFFFAOYSA-N 407.948 4.561 0 40 HJAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)c1ccc(Oc2ccccc2)cc1 58394212 OYIRKRKKWDHVBJ-UHFFFAOYSA-N 406.482 4.697 0 40 HJAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)c2cc(-c3ccco3)on2)C1 72396229 NZYWEEAQBXSFQX-IBGZPJMESA-N 416.481 4.623 0 40 HJAB CCN(C(=O)CCc1ncc(-c2ccc(C)cc2)o1)[C@H](COC)Cc1ccccc1 78971441 HZMGXVGFMHNXFA-QFIPXVFZSA-N 406.526 4.689 0 40 HJAB O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1ccc2c(c1)CCC2 89840314 GLBHKALSZRRPHJ-UHFFFAOYSA-N 401.462 4.550 0 40 HJAB O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)N1CCC[C@@]2(CC=CCC2)C1 95959755 PKGFQODUMRFGKZ-VQTJNVASSA-N 424.488 4.785 0 40 HJAB O=C(C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21)NC1CCC1 96053381 NRQJEGQJMRUPBH-LJQANCHMSA-N 410.583 4.708 0 40 HJAB COc1ccc(-c2nc(C3CCN(Cc4ccco4)CC3)cc3c2ncn3C)cc1 96099976 WHSXNFKXSNVLNB-UHFFFAOYSA-N 402.498 4.617 0 40 HJAB Cc1c(-c2nnc3sc(CN4CC[C@@H](c5ccccc5)C4)nn23)oc2ccccc12 96194458 UIRGZUZRRXSKBW-QGZVFWFLSA-N 415.522 4.897 0 40 HJAB CCOC(=O)Nc1ccc(Br)cc1NC(=O)Cc1ccc(OCC)cc1 97230301 ZEOQVIXXUVZOKF-UHFFFAOYSA-N 421.291 4.597 0 40 HJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1Cl 222843500 QJNQHKGTMLBOCR-CQSZACIVSA-N 401.890 4.802 0 40 HJAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccc(C)cc1 223545247 GNCGDJCMOXOPKU-JOCHJYFZSA-N 424.585 4.530 0 40 HJAB Cc1ccccc1CN(C(=O)COc1ccccc1C)[C@@H](C)C(=O)NC1CCCCC1 224677589 OERWCLAYWSKUSG-NRFANRHFSA-N 422.569 4.548 0 40 HJAB O=C(CSCc1ccc(Cl)cc1F)NCc1ccccc1CN1CCCC1 224802535 TXQLRZLZYFSLHN-UHFFFAOYSA-N 406.954 4.625 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc(C)c1Br 224877075 IQGLFYBYAUPKMK-UHFFFAOYSA-N 418.209 4.982 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 224971409 GUSNPTGIWSTXFX-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCSc2ccc(Cl)cc2)c1C 225288516 HEGOOMVMYABEAI-UHFFFAOYSA-N 408.976 4.904 0 40 HJAB CCOC(=O)c1cc(NC(=S)NCCCc2ccccc2OCC)ccc1Cl 225397557 PWSJDIQSBRYHDC-UHFFFAOYSA-N 420.962 4.835 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 225585847 GQYZGYFGMNPPEN-URXFXBBRSA-N 408.586 4.876 0 40 HJAB COc1ccc(Br)c(C(=O)NCCc2ccc(-c3ccoc3)s2)c1 390830244 JRLVDPLBELBVAA-UHFFFAOYSA-N 406.301 4.752 0 40 HJAB O=S(=O)(c1ccccc1)N(Cc1ccc(Br)cc1)c1cccc(F)c1 408627900 RFKFIYYEDHEXEJ-UHFFFAOYSA-N 420.303 4.984 0 40 HJAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Cl)c1O[C@@H](C)CC 409128784 KXCPAKHTXXZTCE-JASJWYONSA-N 413.923 4.599 0 40 HJAB O=C(CSCc1ccccc1Cl)N1N=C2CCCCC[C@@H]2[C@@]1(O)C(F)(F)F 409178222 JVGHQJMRBYGAPW-SUMWQHHRSA-N 420.884 4.603 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2C)c1 409409626 PNMURNKACGMDMA-UHFFFAOYSA-N 412.486 4.804 0 40 HJAB O=C(Nc1ccc2cccc(Cl)c2n1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 505457089 HROITVPKEXASPX-INIZCTEOSA-N 411.864 4.518 0 40 HJAB COc1ccc2c(ccn2CCCNC(=O)C[C@H](c2ccsc2)n2cccc2)c1 524735741 VZQXCJUEMNJDOK-JOCHJYFZSA-N 407.539 4.699 0 40 HJAB O=C(NCc1ccc2c(c1)OCCCO2)N1Cc2ccccc2[C@@H](c2ccccc2)C1 589680214 ZMFDXRKXLNACMV-HSZRJFAPSA-N 414.505 4.705 0 40 HJAB CCN(C(=O)c1cc(=O)cc(C(=O)N(CC)c2ccc(C)cc2)o1)c1ccc(C)cc1 2382214979 MFORIGWSKUBMCG-UHFFFAOYSA-N 418.493 4.590 0 40 HJAB CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc(C)c1 649378 RUWWUAQBOLFZFU-UHFFFAOYSA-N 409.559 4.566 0 40 HJAB CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N(C1CCCCC1)C1CCCCC1 1353603 SZTRPOSJUMZPTK-UHFFFAOYSA-N 413.562 4.651 0 40 HJAB CCOC(=O)CCc1c(C)c2ccc(O[C@H](C)C(=O)c3ccccc3)c(C)c2oc1=O 2137468 GNIZQQLYHIOWKE-QGZVFWFLSA-N 422.477 4.556 0 40 HJAB biogenic CSCC[C@H](NC(=O)c1cccc(Br)c1)c1nc2ccccc2[nH]1 2284756 GIVPCDKKKUQUBK-INIZCTEOSA-N 404.333 4.550 0 40 HJAB CC(C)C[C@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 2314044 YLGFOXZTYKUFIC-QFIPXVFZSA-N 406.526 4.747 0 40 HJAB CN(C)CCCN(C(=O)CCOc1ccccc1)c1nc2ccc(Cl)cc2s1 4359651 JIHNRGCSWVODFQ-UHFFFAOYSA-N 417.962 4.704 0 40 HJAB COc1ccc(CCNC(=O)Cn2c(-c3ccccc3)cc3ccccc32)cc1OC 4675545 RRBZOYQTPDJCQO-UHFFFAOYSA-N 414.505 4.684 0 40 HJAB COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)ccc1O 4794024 FORWZMHKVUGVDT-UHFFFAOYSA-N 423.856 4.884 0 40 HJAB aggregator CCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccccc3Cl)=NN12 5298329 WUKORJGLRNEBPW-HXUWFJFHSA-N 411.933 4.704 0 40 HJAB Cc1ccc(OCC(=O)Oc2ccc(Br)cc2Br)cc1 5683395 IDPQTMLLQQLCGI-UHFFFAOYSA-N 400.066 4.504 0 40 HJAB Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 5740354 YNLPVIOYDLWFRS-LBPRGKRZSA-N 402.422 4.581 0 40 HJAB C[C@H]1CCc2sc(C(=O)O[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)cc2C1 5773209 HJWGKDLZRFXPJD-UWVGGRQHSA-N 413.326 4.759 0 40 HJAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1cccc2ccccc12 6281926 FXZYBUHUVMXWNV-MHZLTWQESA-N 407.469 4.847 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(NCc2ccccc2)s1 6886911 CWZWCAJLXNOTHM-UHFFFAOYSA-N 404.948 4.843 0 40 HJAB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1ccc(OC(F)F)cc1 7007118 UNVMLNWFBVPCFX-FMIVXFBMSA-N 408.326 4.961 0 40 HJAB COc1ccc(SCC(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1 7294568 WHDJWKNJTCVHQB-UHFFFAOYSA-N 416.524 4.567 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCC[C@H]2CCCC[C@@H]21 7546400 HBBUNBQTSZBVQF-ZBFHGGJFSA-N 402.589 4.615 0 40 HJAB O=C(Cc1ccc2c(c1)CCCC2)Nc1cccc(-c2nnc3n2CCCCC3)c1 8270262 OEXZJEYJXLSFBK-UHFFFAOYSA-N 400.526 4.732 0 40 HJAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)cc1 8475483 FHABWJVFIQFJEM-INIZCTEOSA-N 414.461 4.976 0 40 HJAB COc1cccc(CNCc2ccc(C(=O)O)cc2)c1OCc1ccc(Cl)cc1 8495323 ZULTWZUXTOWGGR-UHFFFAOYSA-N 411.885 4.916 0 40 HJAB CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)cc1OCC 8917251 ZCIULWKFYGGWPQ-QFIPXVFZSA-N 421.493 4.936 0 40 HJAB CC(C)COc1ccc(-c2nc3c4c5c(sc4nc(O)n3n2)COC(C)(C)C5)cc1 8992086 ZSUINBKSBIASBM-UHFFFAOYSA-N 424.526 4.598 0 40 HJAB O=C(Nc1ccc(F)cc1)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 9054036 CNUPEIJBSGLEFX-UHFFFAOYSA-N 418.468 4.765 0 40 HJAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(F)cc1C 9320685 WSPMFENAEXMIJL-UHFFFAOYSA-N 419.499 4.758 0 40 HJAB Cc1noc(C)c1COc1ccccc1C(=O)OCC(=O)c1ccc(Cl)s1 9619599 FLHCTTNEOMWFFE-UHFFFAOYSA-N 405.859 4.625 0 40 HJAB CCOC(=O)c1oc2cc(OC)ccc2c(=O)c1-c1csc(-c2ccccc2)n1 12296167 PPTFVWDVDQBHLL-UHFFFAOYSA-N 407.447 4.769 0 40 HJAB biogenic Cc1ccccc1CN1C(=O)N(c2cc(F)ccc2F)S(=O)(=O)c2ccccc21 12414788 NJUUREPKSXADJG-UHFFFAOYSA-N 414.433 4.609 0 40 HJAB CSc1ccc(C(=O)CSc2ncnc3sc(C)c(C)c23)cc1NC(C)=O 12772307 MIUSNWRTUNXWGW-UHFFFAOYSA-N 417.581 4.963 0 40 HJAB CN(C)[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1ccco1 12784418 WLPNHMPFUSCNPG-QFIPXVFZSA-N 403.457 4.667 0 40 HJAB Cc1ccc(-c2nnc(SCc3cc(-c4ccccc4)no3)n2CCC(=O)O)cc1 12804390 CMPCVEACBJHRGB-UHFFFAOYSA-N 420.494 4.676 0 40 HJAB O=C(NCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1cccs1 13031017 KHVFRYPFXLQHKJ-UHFFFAOYSA-N 413.905 4.911 0 40 HJAB COc1ccc([C@H]2SCC(O)=Nc3c2c(C)nn3[C@H]2CCOC(C)(C)C2)cc1 13123347 WFSCFDJYVYIFDV-HNAYVOBHSA-N 401.532 4.754 0 40 HJAB Nc1cccc(S[C@H]2CC(=O)N(c3ccc(-c4nc5ccccc5o4)cc3)C2=O)c1 13576092 VSQSQVVMKSGVDL-FQEVSTJZSA-N 415.474 4.501 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc34)[C@H]2C(=O)N1c1ccccc1 13659480 VXFPKSQCUVGEPQ-DSNGMDLFSA-N 420.468 4.891 0 40 HJAB COc1ccc(-c2csc3ncnc(Sc4nnc(NC5CC5)s4)c23)cc1 14092723 ZCJZBLWZGYLKGN-UHFFFAOYSA-N 413.553 4.944 0 40 HJAB CCCCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(C)c(C)c2)CC1=O 14095550 QVRODLSUQNBEDA-HXUWFJFHSA-N 405.542 4.848 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)c3ccccc3C)cc2)cc1 14425469 CULQGESGQFTLSU-LJQANCHMSA-N 422.550 4.620 0 40 HJAB O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC=C(c2ccccc2)CC1 15721656 WDKMHQWJCFRQJT-UHFFFAOYSA-N 408.299 4.769 0 40 HJAB CCCCn1c(SCc2nc(-c3ccccc3C)no2)nc2ccsc2c1=O 16845752 MITRJLRKKCMCOW-UHFFFAOYSA-N 412.540 4.909 0 40 HJAB O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)NCc1ccccc1Cl 16849030 TWBNBWZVHNBZIV-UHFFFAOYSA-N 414.918 4.690 0 40 HJAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 17089006 NULSUVIRGUQWHY-QGZVFWFLSA-N 411.571 4.979 0 40 HJAB Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)n1 19694753 AHRSNGSQWBBBGV-UHFFFAOYSA-N 418.516 4.512 0 40 HJAB Cc1nc([C@@H]2CCN(CCc3ccccc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19753192 RNCINCDAMATFAZ-LJQANCHMSA-N 420.944 4.723 0 40 HJAB O=C(Nc1ccccc1Cl)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 20241743 FDSVFEPETZBSGK-UHFFFAOYSA-N 405.929 4.915 0 40 HJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4C)cc3n2)cc1 20611243 PBKYLZLPGYBZCR-UHFFFAOYSA-N 400.482 4.617 0 40 HJAB O=C(c1cc(-c2ccc3c(c2)OCCO3)on1)N(Cc1ccccc1)Cc1ccco1 21524228 KETXSEDICQKODS-UHFFFAOYSA-N 416.433 4.548 0 40 HJAB CCn1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)c(=O)c2cc(C)ccc21 22234766 PETRVMCDHPKSKW-CQSZACIVSA-N 413.315 4.583 0 40 HJAB Cc1ccc(-n2c(C)nc3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3c2=O)cc1 22497719 BOSGZOBDDWJDSW-UHFFFAOYSA-N 420.419 4.925 0 40 HJAB Cc1nc(C2(NC(=O)CCCOc3ccc(Cl)cc3Cl)CCCCC2)no1 29057663 MAKTYBINMQOYAF-UHFFFAOYSA-N 412.317 4.820 0 40 HJAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)N[C@H](C(=O)O)c1ccccc1 30819267 HXPRCWLPDRFEDV-KRWDZBQOSA-N 421.305 4.602 0 40 HJAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC1 31487023 VGELDJMSXMDWBP-UHFFFAOYSA-N 405.970 4.554 0 40 HJAB O=C(O)c1cccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)c1 32593764 MTNUOJUFNHGSBP-UHFFFAOYSA-N 417.849 4.512 0 40 HJAB CCN(CC)CCCn1c(S)nnc1-c1ccc(COc2cc(C)ccc2C)o1 33580379 ASQSOQGQXQWNCA-UHFFFAOYSA-N 414.575 4.755 0 40 HJAB Cc1ccc(-c2nsc3c(SCC(=O)Nc4ccccc4F)ncnc23)cc1 35289462 YDEZIZSKEQKWDR-UHFFFAOYSA-N 410.499 4.932 0 40 HJAB C[C@@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccc(Cl)cc1Cl 48332127 CWQUGBGSSPGYNX-CYBMUJFWSA-N 406.313 4.999 0 40 HJAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1ccc(F)cc1Cl 49030311 PFDNPHUVSOPPHK-OAHLLOKOSA-N 402.853 4.509 0 40 HJAB CCC1CCC(N(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 58023107 RYQZGWFWTOTFDI-UHFFFAOYSA-N 400.544 4.528 0 40 HJAB CCOC(=O)c1c(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)sc(C)c1C 65488996 HTCUWXHWPGMNEZ-UHFFFAOYSA-N 403.500 4.850 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cc(F)ccc3C)oc12 67293613 FEZNRIAWKRTJON-RWEWTDSWSA-N 403.413 4.769 0 40 HJAB CC(C)(C)c1nc(-n2cccc2)sc1C(=O)NC1CCN(Cc2ccccc2)CC1 67350028 MKEVQNQLMLVSPU-UHFFFAOYSA-N 422.598 4.626 0 40 HJAB O=C1c2ccccc2CC[C@@H]1[C@@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 68713160 WFAJNDAIPUCZRQ-SQJMNOBHSA-N 417.892 4.520 0 40 HJAB O=C(O)[C@H]1CC(=O)N(c2ccc3nc(-c4cccc5c(Cl)cccc45)oc3c2)C1 70461309 XNMLCIGNJHHXJP-LBPRGKRZSA-N 406.825 4.739 0 40 HJAB COc1ccc(NC(=O)c2ccc(NCc3noc(-c4cccs4)n3)cc2)cc1 83949940 HBYHDFWCPCGBDK-UHFFFAOYSA-N 406.467 4.671 0 40 HJAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1cc(-c2ccccc2Cl)[nH]n1 84514411 UHLPMBOTPLKQKP-UHFFFAOYSA-N 405.237 4.607 0 40 HJAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3C)C2=O)c(C)c1 102763452 HFOLDOQWPQYRAR-KMDXXIMOSA-N 412.489 4.663 0 40 HJAB COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H]1O[C@@H]2[C@@H](C)[C@@H]1C 102980117 RNIZTMIJCBCDBR-GJBDCUKVSA-N 414.454 4.515 0 40 HJAB COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 123325882 KCWRJZPEFSQWMV-UKXDVIEGSA-N 418.574 4.565 0 40 HJAB CCC[C@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223416862 BBZPVMAAKXAPBU-ZDUSSCGKSA-N 410.923 4.528 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 223562476 HYVCJAYKWMSTNK-QFIPXVFZSA-N 412.599 4.811 0 40 HJAB CO[C@]1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225635661 NIUCCHZYCQURBK-MTXNFPGFSA-N 402.579 4.577 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCC[C@H](C)C1 225715518 UXCNADATRPJALY-GBXCKJPGSA-N 402.579 4.865 0 40 HJAB COc1ccc(C2OCC(C)(C(=O)Nc3ccc(OC)c4ccccc34)CO2)cc1 225916706 GDYAWHYDTRDJPL-UHFFFAOYSA-N 407.466 4.547 0 40 HJAB CCN1CCN(C(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)CC1 408578572 YWBDSUDYFJHOEN-UHFFFAOYSA-N 409.382 4.885 0 40 HJAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(Cl)c4C)c3)C(=O)[C@H]2C1 408683176 MHSZCTRBCHNFTR-ROUUACIJSA-N 408.885 4.746 0 40 HJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3Cl)[C@@](O)(C(F)(F)F)[C@@H]2C1 409100200 ULEYWXZFJATTEP-BVRBVLIYSA-N 402.844 4.865 0 40 HJAB C[C@@H]1CCC[C@H]2C1=NN(C(=O)c1ccc(-c3ccccc3)cc1)[C@@]2(O)C(F)(F)F 409184901 YRWRVIXKEKPKLW-IBZMOEQTSA-N 402.416 4.853 0 40 HJAB CC(C)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 409410728 OZNSDLDUILBCNR-UHFFFAOYSA-N 415.342 4.522 0 40 HJAB Cn1cncc1CCN[C@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 530513126 HEHFFKOERLPJBM-INIZCTEOSA-N 417.376 4.516 0 40 HJAB Cc1ccc(C)c(OC[C@@]2(O)COCCN([C@H]3CC[C@H](C(C)(C)C)CC3)C2)c1C 2037949789 PYRHOFQWMUQIGO-HWBMXIPRSA-N 403.607 4.659 0 40 HJAB COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 629902 HCMVOSKLXDIXFV-QHCPKHFHSA-N 423.559 4.703 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(Cl)cc1 648293 UCVHLAFDCVQLSU-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB O=C1O[C@H](c2ccc3c(c2)OCO3)N(C(=O)c2cc3ccccc3o2)c2ccccc21 707455 XLYYESBHCDKTHG-HSZRJFAPSA-N 413.385 4.678 0 40 HJAB CC(C)(C)NC(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 865923 CMXCWUCIFUSPMD-WCBMZHEXSA-N 406.861 4.787 0 40 HJAB O=C1C(Nc2cccc(F)c2)=C(Sc2ccccc2)C(=O)N1Cc1ccccc1 938232 GANJBIMWANHMKO-UHFFFAOYSA-N 404.466 4.811 0 40 HJAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)cc1 1320591 JMKZPMSABIFJAQ-XMMPIXPASA-N 423.871 4.795 0 40 HJAB Cc1ccc2c(c1)cc(CN(C(=O)Nc1ccccc1C)C1CCCC1)c1nnnn12 1376881 RFDOUOKHYXWWRY-UHFFFAOYSA-N 414.513 4.871 0 40 HJAB COC(=O)c1ccc(Oc2coc3cc(OC(=O)c4ccccc4)ccc3c2=O)cc1 1448152 SMTHUSFVMPPZEF-UHFFFAOYSA-N 416.385 4.591 0 40 HJAB biogenic CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 2299459 FUAUHVLEKGYOBZ-UHFFFAOYSA-N 403.555 4.759 0 40 HJAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 2316136 CJXFXTXKSKQOFU-UHFFFAOYSA-N 400.478 4.606 0 40 HJAB CCSc1nnc2n(Cc3ccccc3)c(=O)c3c(n12)-c1ccccc1CC3(C)C 2399857 LHSKCELFBAPVNM-UHFFFAOYSA-N 416.550 4.552 0 40 HJAB CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 2425372 JQKAAVRNDCEVJQ-UHFFFAOYSA-N 421.353 4.680 0 40 HJAB COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)c1 2703878 BTBMQHMEWWJQQT-LJQANCHMSA-N 418.474 4.625 0 40 HJAB CC(=O)Nc1ccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1 3459352 BMSSMXKNMYJJBW-UHFFFAOYSA-N 401.182 4.679 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)cc1 3656751 GQTBDTROUQYPOZ-UHFFFAOYSA-N 413.495 4.787 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1OC 4677601 BDXVVQLNWCSCFS-UHFFFAOYSA-N 401.509 4.656 0 40 HJAB COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)c(OC)c1 5256100 CNDFZXVIGAFFHY-NRFANRHFSA-N 411.889 4.796 0 40 HJAB O=C(NC1CCCCCC1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O 5305450 TUEYVIVFQHWBQC-UHFFFAOYSA-N 409.917 4.551 0 40 HJAB Cc1ccc(C(=O)[C@H]2C(/C=C/c3ccccc3)=NO[C@@]23C(=O)Nc2ccccc23)cc1 5451719 VJVMMTXDAXEZJD-HKHATACASA-N 408.457 4.741 0 40 HJAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(OC(F)(F)F)cc1 6382882 NDMGLXFZMSPGEL-UHFFFAOYSA-N 401.797 4.846 0 40 HJAB O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1cccc2ccccc12 6616505 PXLGEUNAQMQQMZ-UHFFFAOYSA-N 402.475 4.719 0 40 HJAB CCN(C(=O)CSc1nc(-c2ccccc2F)n[nH]1)c1cccc2ccccc12 6888383 VCNIBKKMTLERFV-UHFFFAOYSA-N 406.486 4.909 0 40 HJAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3Cl)c2C1 6943507 CZVLQHYUZMSCCQ-CQSZACIVSA-N 408.885 4.809 0 40 HJAB COc1ccc([C@H](NC(=O)CSc2nc3ccccc3[nH]2)c2ccccc2)cc1 6972164 HMDCHAKOSVNVNJ-JOCHJYFZSA-N 403.507 4.569 0 40 HJAB CN(C(=O)CSc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccco1 7341507 MJCQIWUPTMJLKX-UHFFFAOYSA-N 414.914 4.618 0 40 HJAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)C1c2ccccc2Oc2ccccc21 7645233 VNYAWAOKTNFUEG-UHFFFAOYSA-N 401.462 4.744 0 40 HJAB COc1cccc(NC(=O)[C@@H](Sc2nnc(NC3CC3)s2)c2ccccc2)c1 7990894 BTJXPYMXTRMXAY-KRWDZBQOSA-N 412.540 4.593 0 40 HJAB Fc1ccccc1N1CCN(C(=S)c2cccc(OCc3ccccc3)c2)CC1 9188001 WZXNFBQXTFMEPH-UHFFFAOYSA-N 406.526 4.902 0 40 HJAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccc(Cl)cc4C)ncnc32)cc1 9318819 XUXRWFQFOIUREP-UHFFFAOYSA-N 423.929 4.817 0 40 HJAB CCCn1c(SCc2c(C(=O)OCC)oc3ccccc23)nnc1-c1ccncc1 9671165 CEEFHQOCBUEFRH-UHFFFAOYSA-N 422.510 4.965 0 40 HJAB Cc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(F)cc2)cc1 9847469 NRTIDUQJVJUWRH-UHFFFAOYSA-N 423.440 4.885 0 40 HJAB Cc1nccc(-c2sc(C3CCN(Cc4cc(C)c(O)c(C)c4)CC3)nc2C)n1 12186141 ZWLSVIMAUQXXDW-UHFFFAOYSA-N 408.571 4.919 0 40 HJAB Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1 12293478 KAJQPPIXJILCML-RPWUZVMVSA-N 403.522 4.532 0 40 HJAB O=C(CCc1c[nH]c2ccccc12)N1CCc2[nH]c3c(Br)cccc3c2C1 12296399 VKBOFDXRFAZHPD-UHFFFAOYSA-N 422.326 4.929 0 40 HJAB biogenic Cc1nc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)n(C[C@H]2CCCO2)c1C 12520005 SJNVZLUUEWSWLQ-RTWAWAEBSA-N 413.587 4.525 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3Cl)n2C)cc1 13870575 PVHBYZHUYNBPOK-AWEZNQCLSA-N 416.934 4.648 0 40 HJAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 14582606 PCFIRQQGIJIPAB-LBPRGKRZSA-N 405.932 4.890 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 16347387 ANVKJBFUQTXJDK-UHFFFAOYSA-N 420.962 4.611 0 40 HJAB O=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)NCc1ccco1 16841179 OQVVCFFKDQDTSM-UHFFFAOYSA-N 414.490 4.551 0 40 HJAB Cc1cccc(OCCCC(=O)N2CCC[C@@H]2c2nnc(-c3ccsc3)o2)c1C 19235708 CBYWIBLAVXCEPK-GOSISDBHSA-N 411.527 4.938 0 40 HJAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC(c2noc3cc(F)ccc23)CC1 19336536 SXDJUAIROSOTRX-UHFFFAOYSA-N 408.408 4.516 0 40 HJAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1 19562148 WJQOBDNUEXGRQM-CQSZACIVSA-N 423.464 4.614 0 40 HJAB COc1cccc(CN2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c34)C2)c1 19568898 JUQSXCZCBFQKIE-HNNXBMFYSA-N 405.420 4.938 0 40 HJAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1cccc(Br)c1 19928194 LSWCVPGQKMPABX-UHFFFAOYSA-N 423.723 4.618 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 20462486 WWVYYYWBCPEUER-IBGZPJMESA-N 422.550 4.904 0 40 HJAB O=C(CN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1c[nH]c2ccccc12 20827799 DJJQUFPCSWIUTL-UHFFFAOYSA-N 407.517 4.738 0 40 HJAB Fc1ccc(-n2c(CN3CCCCC3)nnc2SCc2nc3ccccc3o2)cc1 21342248 RDXAVEUNORHXJD-UHFFFAOYSA-N 423.517 4.826 0 40 HJAB C[C@H]1CCc2nc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)sc2C1 24832048 YRSNOQLVWQRFSK-JTQLQIEISA-N 424.423 4.864 0 40 HJAB O=C(c1cc(Cl)ccc1F)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 24989743 TYILKONOHVKEDB-UHFFFAOYSA-N 421.859 4.558 0 40 HJAB CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nccn2-c2ccc(Cl)cc2)cc1 26042473 NOBVWGGHKSSFLB-CQSZACIVSA-N 413.930 4.698 0 40 HJAB O[C@]1(c2ccc(Cl)cc2)CN(c2ccc(OC(F)F)cc2)C2=[N+]1CCCCC2 27299335 ZSRACWZLCXXMJK-NRFANRHFSA-N 407.868 4.592 0 40 HJAB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nc2ccccc2s1 27551195 AFJDBSJUXKKUHR-IBGZPJMESA-N 409.555 4.987 0 40 HJAB CCCC[C@H](CC)CNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 27911237 QXJSPPFTSSFHLP-KRWDZBQOSA-N 409.412 4.994 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cs2)cc1 27994971 QXWRSTXLWZDQHJ-QGZVFWFLSA-N 410.539 4.562 0 40 HJAB CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccccc2Oc2ccccc2)cc1 32925207 GPXHBMNYZZIITA-UHFFFAOYSA-N 403.482 4.939 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1[nH]c1ccc(C)cc12 33172522 BNTZPOMXNCQFDR-UHFFFAOYSA-N 412.902 4.812 0 40 HJAB Cc1ccc(-c2ccc(SCc3nc(-c4ccc5c(c4)OCO5)no3)nn2)cc1C 33262528 AUFJIIXHOLNQEL-UHFFFAOYSA-N 418.478 4.831 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 38755502 WCTNCQLUWBBYGY-LJQANCHMSA-N 422.550 4.904 0 40 HJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)C[C@H](NC(N)=O)c1ccccc1C 40069560 FMQBCZZXAQNKQO-INIZCTEOSA-N 423.435 4.541 0 40 HJAB C[C@H](Cc1c(F)cccc1F)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 40155929 KMHSQTSQYYZQSS-CYBMUJFWSA-N 404.844 4.953 0 40 HJAB Cc1ccc(Oc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)nn1 44213763 AZJIQNBOORXTHL-UHFFFAOYSA-N 404.253 4.902 0 40 HJAB Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)/C=C/c2cccs2)C3)cc1 56911327 BCRHKVVOCDQKGU-ZHACJKMWSA-N 400.507 4.589 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN[C@H](C)c1ccccc1 57851830 JNWWTZHYPAMEKI-MRXNPFEDSA-N 408.523 4.881 0 40 HJAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCc1cnn(-c2ccccc2)c1 65577667 CKWWEJRFTSVYBW-HXUWFJFHSA-N 411.505 4.666 0 40 HJAB Cc1ccc(NC(=O)c2cnc3c(cnn3C3CCCC3)c2)c(OC[C@@H]2CCCO2)c1 69949170 JGMFKRQZQKEUIB-FQEVSTJZSA-N 420.513 4.665 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)cc1Cl 71327948 ZZDZLBUMWISOJP-UHFFFAOYSA-N 409.917 4.579 0 40 HJAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc(Cl)cc(Cl)c1 71980516 CFVRDQDYZYTGHB-FOCKTWCOSA-N 414.329 4.852 0 40 HJAB Cc1n[nH]cc1C(=O)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358055 OHVMBFZMKKUBAN-FQEVSTJZSA-N 414.431 4.700 0 40 HJAB COc1cccc([C@H]2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccccc2)c1 89632097 BFKGQDVDVDXSKZ-HSZRJFAPSA-N 406.507 4.544 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc4ccccc4c3OC)C2)c(OC)c1 89930405 YUVOWZBQKTVWPP-JOCHJYFZSA-N 404.466 4.563 0 40 HJAB Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NC2CCC2)c2ccccc2O3)o1 96053387 CZFOEZFDKSWFNF-IBGZPJMESA-N 408.542 4.548 0 40 HJAB O=C(Nc1cccc(O)c1)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1 96154640 FYVUKSGANVVPFR-UHFFFAOYSA-N 420.494 4.900 0 40 HJAB COC(=O)c1ccc(/C=C(\Cl)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)o1 96256228 SAGRFBRETZYRCS-XFFZJAGNSA-N 418.883 4.830 0 40 HJAB CCCCCCn1c(=O)c(C(=O)Nc2ccc(F)c(F)c2)c(O)c2ccccc21 100562552 ZMZSFEHNGPDFMX-UHFFFAOYSA-N 400.425 4.818 0 40 HJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccc(C)c2C)CC1 216384220 NUEGGUYIEAQYMY-VWLOTQADSA-N 402.538 4.963 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1C1CCCCC1 223082756 XLQRLHSXPPOUEJ-FCHUYYIVSA-N 403.555 4.573 0 40 HJAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccc21 223114311 YPGRQCDJVNBSKO-UHFFFAOYSA-N 413.543 4.708 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 223215583 ATHBNWAPZDPUKP-HSZRJFAPSA-N 408.586 4.876 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 223653698 QMTUMXIQMLUSAL-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 224267282 DGUQNDWENLALPK-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB CCN(Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1)S(=O)(=O)c1ccccc1 224443525 GIQBIOQUTSFJMX-UHFFFAOYSA-N 422.550 4.767 0 40 HJAB COc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225583156 IQLAYQUEKMPZQH-HNNXBMFYSA-N 404.913 4.577 0 40 HJAB CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OC)c2)CCC(C)CC1 225856471 GYLUDUMWWKWQQK-UHFFFAOYSA-N 405.535 4.822 0 40 HJAB Cc1ncsc1C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257341937 ZMMUKZLTRDXJSA-HNNXBMFYSA-N 401.919 4.704 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)c1C 408584727 UGBUGPXYQHWMNC-UHFFFAOYSA-N 401.532 4.512 0 40 HJAB COc1ccc(OC)c(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 408622321 BWYLJMBFWKYYLY-UHFFFAOYSA-N 417.914 4.753 0 40 HJAB CC(C)CNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704977 WOOUGKRMBNHRKA-OAQYLSRUSA-N 402.947 4.500 0 40 HJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c1C 409352426 VUCXLCUZOXHNOW-LICLKQGHSA-N 400.887 4.632 0 40 HJAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc4c(c3)CCC(=O)N4)c12 515283887 VQLCOEFWPHREES-UHFFFAOYSA-N 419.529 4.755 0 40 HJAB O=C(Nc1cccc(NC(=O)[C@@H]2CC23CCOCC3)c1)c1cccc(C(F)(F)F)c1 530896863 CTFLFYIPFJREQE-SFHVURJKSA-N 418.415 4.713 0 40 HJAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccccc2Cl)C1 585165356 FTENZSJDWILLJD-FQEVSTJZSA-N 422.960 4.715 0 40 HJAB CCOc1ccc(CNC(=O)c2cc3c(C)c(Br)ccc3[nH]2)cc1OC 1540972983 FXFCUXPFNFHLAZ-UHFFFAOYSA-N 417.303 4.576 0 40 HJAB Cc1ccnc(NC(=O)c2ccc(Cl)c(NC(=O)[C@@H](C)Oc3ccccc3)c2)c1 713006 CFWDITWYJRACNT-OAHLLOKOSA-N 409.873 4.702 0 40 HJAB CCCCCOC(=O)c1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1 2027924 DJFNBSUJZKLJDC-UHFFFAOYSA-N 416.271 4.597 0 40 HJAB CCCCCCn1c(N)c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc21 2357205 XVWZBMMHJMCERA-UHFFFAOYSA-N 419.504 4.816 0 40 HJAB Cc1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2)C3=O)c(C)c1 2716349 AVKRXXDSTHDBJO-UHFFFAOYSA-N 414.505 4.519 0 40 HJAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)n1 3242224 GVFAQBIBYGRSNQ-UHFFFAOYSA-N 411.509 4.748 0 40 HJAB CN(Cc1cccc(F)c1)C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 3431382 PACDZHLXKMTNLL-QHCPKHFHSA-N 415.455 4.703 0 40 HJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1c(Cl)cccc1Cl 3525780 XDIDVUQLYCOZIT-UHFFFAOYSA-N 415.276 4.826 0 40 HJAB CCCCn1cc(S(=O)(=O)c2ccc(CC)cc2)c(=O)c2cc(OCC)ccc21 4193272 VBPPSRHFXKIHQY-UHFFFAOYSA-N 413.539 4.596 0 40 HJAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc12 4340684 AANLZCRAGVNTTF-UHFFFAOYSA-N 410.422 4.675 0 40 HJAB biogenic O=C1C[C@@H](c2ccccc2)N=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1 4813605 JUWLEVQVCXUKOQ-NRFANRHFSA-N 415.518 4.702 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(F)c1)N(c1nc(C)cs1)C3=O 5235349 SUXCKXIBTNDJRJ-SFHVURJKSA-N 406.438 4.755 0 40 HJAB Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)COc4ccccc4)cc3)nc2c1 5659538 ZCYYYQDRSFDCMJ-UHFFFAOYSA-N 417.490 4.695 0 40 HJAB COc1ccc(OC)c(C(=O)CSc2nnc(Nc3ccc(C)cc3C)s2)c1 5694645 SSENUNDBOQCEEN-UHFFFAOYSA-N 415.540 4.891 0 40 HJAB CCC(=O)NC(=S)Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 6709324 OHXFAEGSCLKDLO-UHFFFAOYSA-N 417.534 4.680 0 40 HJAB Cc1ccc(-c2noc(CN(C(=O)COc3ccc(Cl)cc3C)C(C)C)n2)cc1 6736976 SCUWRILKCFEKPN-UHFFFAOYSA-N 413.905 4.823 0 40 HJAB COc1ccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1Cl 7318924 UZIXXIACLBGYPP-UHFFFAOYSA-N 407.857 4.828 0 40 HJAB C[C@H](c1ccncc1)n1nccc1NC(=O)c1cccnc1Sc1ccccc1 7781594 JTRYWVDAHLDGQF-MRXNPFEDSA-N 401.495 4.686 0 40 HJAB COCCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2ccccc21 8424714 ZOICEENJMZNCTM-GFCCVEGCSA-N 407.898 4.595 0 40 HJAB Cc1cccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(Cl)cc2)c1 8476889 IDCWDZZFQFASQK-UHFFFAOYSA-N 402.885 4.826 0 40 HJAB CCOc1cc2c3c(c1)[C@@]1(SCC(=O)N1c1ccccc1)C(=O)N3C(C)(C)C=C2C 8559990 GQJYPEXCKBGKCF-XMMPIXPASA-N 420.534 4.560 0 40 HJAB COc1cc(C(=O)Nc2cccnc2)cc(Br)c1OCc1ccccc1 8721344 REKMCNMCTYIUKU-UHFFFAOYSA-N 413.271 4.684 0 40 HJAB CCOc1cc([C@H]2NC(=O)c3c(sc(C)c3C)N2)ccc1OC(=O)c1ccccc1 8842981 ODQVMMGLHSCFCK-FQEVSTJZSA-N 422.506 4.837 0 40 HJAB Cc1cnc(Nc2nc3ccccc3o2)nc1C(=O)Nc1cccc(C(F)(F)F)c1 9013021 NGUHYRNKKSDQIX-UHFFFAOYSA-N 413.359 4.941 0 40 HJAB CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1Br 9281132 RPPIEWUIASEKIV-UHFFFAOYSA-N 413.315 4.651 0 40 HJAB C[C@@H]1Sc2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2NC1=O 9513921 KPXITMYEUPMXIQ-LRDDRELGSA-N 409.536 4.706 0 40 HJAB CC(C)Oc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 10009746 MNNMXWIBZBIEQA-UHFFFAOYSA-N 416.524 4.588 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 10060350 SSDGRVLHMXLRET-RPWUZVMVSA-N 424.504 4.976 0 40 HJAB COc1ccc(-n2nnc3c(SCc4cccc(C(F)(F)F)c4)ncnc32)cc1 11758693 ZQAUWIGUIVAGFW-UHFFFAOYSA-N 417.416 4.530 0 40 HJAB Cc1nc(C)c(C(=O)N2C[C@@H]3[C@@H](CCC[C@]3(O)c3cccc(C(F)(F)F)c3)C2)s1 12186302 FJKVFUWBHXVWGN-NQYLQCIDSA-N 424.488 4.539 0 40 HJAB CCCCc1noc(CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)n1 12528060 YXWIUQSMXYEBOL-UHFFFAOYSA-N 418.954 4.539 0 40 HJAB C[C@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1-c1ccccc1 12978137 LTNXYFPLSMNSHK-SFHVURJKSA-N 400.478 4.886 0 40 HJAB C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 13141238 LBESYRQCCQTZNA-GFCCVEGCSA-N 422.432 4.746 0 40 HJAB Brc1cncc(-c2nnc3sc(Cc4cccc5ccccc45)nn23)c1 13693086 WCDONBWHOTUKKN-UHFFFAOYSA-N 422.311 4.754 0 40 HJAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)cc1 13871300 LEECXTUIQVZVAT-KRWDZBQOSA-N 424.570 4.865 0 40 HJAB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(F)cc3)cc2Cl)CC1 17083288 JRGGDZCDXXAEBK-UHFFFAOYSA-N 405.926 4.842 0 40 HJAB CC(C)c1cc(C(F)(F)F)c2c([C@H]3CCCN(CC4=CCCOC4)C3)noc2n1 19452095 NZECHMPIQYPGTM-HNNXBMFYSA-N 409.452 4.891 0 40 HJAB COc1cc2c(cc1OC)[C@@H]([C@H](C)c1ccccc1)N[C@@H](c1cccnc1OC)C2 19459504 OJQFZPDNOZSLNT-QVJSAIJNSA-N 404.510 4.839 0 40 HJAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccccc2)C1 19580167 MPAZQFUXUSSZGK-MHZLTWQESA-N 412.533 4.517 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 20152175 LABZNTXTAQSQKN-UHFFFAOYSA-N 414.914 4.836 0 40 HJAB CC(C)(C)c1ccc(CS[C@H]2CCCC[C@H]2OC(=O)CCN2CCOCC2)cc1 22002197 MRDDPWUIISWEEG-YADHBBJMSA-N 419.631 4.794 0 40 HJAB Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(F)cc4Cl)CC3)c2c1C 22396377 JJGYGOKXZUFDTO-UHFFFAOYSA-N 418.925 4.956 0 40 HJAB O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)Nc1cccs1 22503514 XBPLZYUHFUVCRN-UHFFFAOYSA-N 413.524 4.534 0 40 HJAB COc1cccc(-c2nc(C(=O)N[C@@H](C)c3ccccc3Cl)cs2)c1OC 24835713 MDJAOVDMFOVFER-LBPRGKRZSA-N 402.903 4.972 0 40 HJAB CC(C)COc1ccc(NC(=O)C2CCN(C(=O)c3ccsc3)CC2)cc1Cl 30187634 FYLZQNQBPZYJRI-UHFFFAOYSA-N 420.962 4.927 0 40 HJAB O=C(NCc1ccc(N2CCCC2)nc1)c1ccccc1-c1ncc(-c2ccccc2)o1 30297472 BYSGGJSCAQHGBD-UHFFFAOYSA-N 424.504 4.934 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc2c3c([nH]c12)CCCCC3 30851454 DDKTYEPRVGTQMZ-UHFFFAOYSA-N 403.526 4.764 0 40 HJAB C[C@@H](OC(=O)c1cc2cc(Br)ccc2[nH]1)c1nnc(-c2cccs2)o1 31458133 NXEZOMOUEHEOCS-SECBINFHSA-N 418.272 4.960 0 40 HJAB Cc1ccc(C)c(-n2ncc3c2N=C(O)C[C@]32C(=O)N(CC(C)C)c3ccccc32)c1 32094257 LLPAUDHUEVJMLT-RUZDIDTESA-N 414.509 4.770 0 40 HJAB O=C(Nc1ccc(Cl)cc1Cl)c1cn(-c2cccc(Br)c2)nn1 32815720 QYRAIOKRGJFTMH-UHFFFAOYSA-N 412.074 4.589 0 40 HJAB CC1CCN(c2nccnc2Oc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CC1 33170778 FKKLMTQSQLIYNX-UHFFFAOYSA-N 420.488 4.574 0 40 HJAB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1Br 33758386 QNUSWRYVLOSRQC-OEAKJJBVSA-N 404.267 4.708 0 40 HJAB O=C(Cc1ccccc1)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 35269541 RSGCDEMFKGUGSJ-UHFFFAOYSA-N 423.925 4.648 0 40 HJAB Cc1cc(C(=O)NCc2ccccc2Cl)c2c(C)nn(Cc3ccccc3)c2n1 36615851 JRAMDBDXAADFNC-UHFFFAOYSA-N 404.901 4.680 0 40 HJAB Cc1ccc(-c2noc(-c3cccnc3SCC(=O)Nc3ccccc3F)n2)cc1 49407051 XUIPBMRGEQIEJF-UHFFFAOYSA-N 420.469 4.977 0 40 HJAB O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc2nsnc2c1 57316008 GVXDYZBQKLQETL-UHFFFAOYSA-N 417.730 4.778 0 40 HJAB O=C(Nc1ccc(N2CCN(C3CC3)CC2)cc1)c1ccc(-c2ccccc2F)o1 58325475 LOPUEBGHTQPVNH-UHFFFAOYSA-N 405.473 4.622 0 40 HJAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)cc1 59227324 ASQJGYHAMZXDCX-CYBMUJFWSA-N 421.722 4.657 0 40 HJAB Cc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)CC2)c(C)c1 61997619 BAACTRYNXGXTDG-XOWPYVIYSA-N 422.613 4.740 0 40 HJAB biogenic O=c1c2ccccc2nc(SCc2ccc3c(c2)OCO3)n1-c1ccc(F)cc1 67259200 PDEFIEAAMOWZFD-UHFFFAOYSA-N 406.438 4.546 0 40 HJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl 71844420 RZAMSLQVDCEDSR-FXAWDEMLSA-N 419.352 4.908 0 40 HJAB O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)c1cc(-c2ccc(F)cc2)[nH]n1 72243341 ICSQQOQVXJTURO-UHFFFAOYSA-N 412.877 4.923 0 40 HJAB Cc1ccc2[nH]c3c(SCC(=O)Nc4cc(F)ccc4Cl)ncnc3c2c1 72331982 YSPYDGIYQLZGDA-UHFFFAOYSA-N 400.866 4.943 0 40 HJAB COc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc2O3)cc1 96053323 ONUQZAZVBXDEQP-OAQYLSRUSA-N 422.569 4.511 0 40 HJAB CN(CCNC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccccc1 219264864 SZFIEYAHQDABSF-UHFFFAOYSA-N 406.551 4.724 0 40 HJAB CC[C@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220571334 FWUXKDACAYOCOK-OAQYLSRUSA-N 416.587 4.919 0 40 HJAB CCSc1ccccc1NC(=O)[C@H](CC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220582480 PRKOEWPUDJOUJG-IBGZPJMESA-N 420.600 4.599 0 40 HJAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 222628410 YETTVIJTAVDWQI-QFIPXVFZSA-N 414.977 4.852 0 40 HJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 222881360 HBZWZDVUZDTAOW-DEOSSOPVSA-N 416.521 4.975 0 40 HJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 222940559 ONYAAUHPMLAEBE-HXUWFJFHSA-N 423.513 4.517 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC1CCCC1 223829383 JPSPEDSVOQDNRK-GOSISDBHSA-N 412.961 4.667 0 40 HJAB Cc1ccc(CCCNC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 224256804 XRQMLMNKCDOKDX-QJOMJCCJSA-N 418.562 4.885 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 224282710 ZJCHIIFJISWIQM-XMMPIXPASA-N 406.570 4.712 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 225511770 XOCWIPKLSAZNCF-XUZZJYLKSA-N 424.585 4.713 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 225577181 RHGBLRXALBUAEH-FYYLOGMGSA-N 424.585 4.713 0 40 HJAB COc1ccc(SCCCNC(=S)Nc2cccc(Br)c2)cc1 225802453 HDXOPXMIDSXIMS-UHFFFAOYSA-N 411.390 4.927 0 40 HJAB CCc1cc(Br)cc(CC)c1NC(=O)c1cc(OC)c(OC)c(OC)c1 226092949 WFSYTNXERJJSAP-UHFFFAOYSA-N 422.319 4.852 0 40 HJAB CCn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)c(C)n1 253508439 KQSUPNWTORYXDA-UUKQSNRUSA-N 412.618 4.969 0 40 HJAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257328944 XHSKPQYUEYDISH-JOCHJYFZSA-N 401.441 4.930 0 40 HJAB Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccccc3)nn2-c2ccccc2C)cc1 408697650 KLRUOAZVCOMWOG-UHFFFAOYSA-N 411.461 4.591 0 40 HJAB CC(C)Oc1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 408704521 OWOBCSNRDXTYOZ-UHFFFAOYSA-N 424.522 4.555 0 40 HJAB CCOc1cc(Cl)c(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 409065624 IFQFPJJAOACJTP-LZYBPNLTSA-N 421.280 4.888 0 40 HJAB O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 523452459 OIQIWZQOELRNRF-CQSZACIVSA-N 410.367 4.851 0 40 HJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618255451 PZTXRGIVEWZBLW-ZDUSSCGKSA-N 403.269 4.622 0 40 HJAB Cc1ccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1 800090 KEGMDKDEBDUROR-SFHVURJKSA-N 408.420 4.674 0 40 HJAB COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCCCCC4)c3N2)c1 884180 DIJVYYCCNRBEMD-ZWKOTPCHSA-N 422.451 4.568 0 40 HJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)NCc3ccccc3)C3CCCCC3)cc2c1 1353055 PCFVJGWQKLQRDG-UHFFFAOYSA-N 403.526 4.881 0 40 HJAB Cc1ccc(-c2nsc3c(SCC(=O)N4[C@H](C)CCC[C@H]4C)ncnc23)cc1 1358715 LCJYYZHNMVFBIK-HUUCEWRRSA-N 412.584 4.943 0 40 HJAB C[C@H]1C(=O)N(Cc2ccccc2F)c2ccccc2N1C(=O)c1c(F)cccc1F 1385982 VVBOHPCIPRBQGF-AWEZNQCLSA-N 410.395 4.686 0 40 HJAB O=c1c2ccccc2nc2n1[C@H](CSc1ccc(Br)cc1)CS2 1405453 QUCWJPYUVGUGTO-GFCCVEGCSA-N 405.342 4.598 0 40 HJAB Cc1[nH]n(-c2ccccc2)c(=O)c1SC(F)(F)[C@](F)(Cl)OC(F)(F)F 1819658 WUNBXKBWLNWSOT-LLVKDONJSA-N 406.735 4.557 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc(F)cc1 2265607 YYRMEMFAUXXGHP-NJDAHSKKSA-N 422.843 4.530 0 40 HJAB CCCCCOC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12 2402836 IOMQELJJCGOGCP-UHFFFAOYSA-N 404.470 4.512 0 40 HJAB COC[C@H](C)n1c(SCC(=O)c2cc(C)c(C)cc2C)nc2ccccc2c1=O 2625124 VGKOPZRXPGCOAA-KRWDZBQOSA-N 410.539 4.504 0 40 HJAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccccc1Cl 3363364 CTIGMSAPNDCUJH-UHFFFAOYSA-N 420.852 4.621 0 40 HJAB Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc(OC(C)C)cc3)co2)n1 4518823 OLNFSJMPOAMKBP-UHFFFAOYSA-N 417.508 4.703 0 40 HJAB Cc1ccccc1C(=O)n1nc(NCc2cccs2)nc1NCc1cccs1 4723830 KFQNQQHWUXVMTF-UHFFFAOYSA-N 409.540 4.622 0 40 HJAB COC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc12 4735767 XAMZWCIRHCGWTH-UHFFFAOYSA-N 415.511 4.935 0 40 HJAB C[C@H](Sc1nc(O)cc(-c2ccccc2)n1)C(=O)Nc1nc2ccccc2s1 4999497 JHJNOTWKBRZHKI-LBPRGKRZSA-N 408.508 4.578 0 40 HJAB CCCCn1nc(NC(=O)c2cc(OC)cc(OC)c2)c2cc3ccc(C)cc3nc21 5215462 IBJFZSRKNZYHBT-UHFFFAOYSA-N 418.497 4.963 0 40 HJAB Cc1ccc(Sc2ccc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)cc2)cc1C 5265552 JPKRFBLUVTXPHF-UHFFFAOYSA-N 415.518 4.872 0 40 HJAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 5498929 KSBJWMUMDRFROX-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB Cc1ccc(C)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ncccc2C)c1 6164560 UBQGWOXPEKBUAA-UHFFFAOYSA-N 415.518 4.681 0 40 HJAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3Cc3ccccc3)CC2=O)cc1 6838543 HNOIJEVQLLWGJH-NRFANRHFSA-N 414.505 4.668 0 40 HJAB O=C(COc1ccc(Cl)cc1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 6885775 DFADQBLLTJQZBS-UHFFFAOYSA-N 413.264 4.745 0 40 HJAB Cc1cc(C)c(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 7266725 IYQIVYMBPWUHMJ-OAHLLOKOSA-N 422.356 4.816 0 40 HJAB Cc1csc(-c2ccc(OCC(=O)c3cc(C)n(C[C@@H]4CCCO4)c3C)cc2)n1 7995393 KRMJVNJFLDNLJI-FQEVSTJZSA-N 410.539 4.978 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nnnn1C1CCCC1)c1ccccc1 8074483 RDWTUOYYZDZBJR-HXUWFJFHSA-N 423.542 4.577 0 40 HJAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1c(Cl)cccc1Cl 8310383 AOVGLVLZOYAGCV-KRWDZBQOSA-N 421.324 4.930 0 40 HJAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)N(Cc1ccccc1)Cc1ccccc1 8862269 HNJWQPJJEVLYJC-UHFFFAOYSA-N 422.941 4.932 0 40 HJAB Cc1nc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)nc(-c3cccs3)c2s1 8956037 MLIJUUVKQWXVLB-UHFFFAOYSA-N 407.442 4.957 0 40 HJAB O=C(Cc1cnc(-c2c(Cl)cccc2Cl)s1)NC1Cc2ccccc2C1 12409408 LUQCJDBIXNWCTD-UHFFFAOYSA-N 403.334 4.943 0 40 HJAB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)c1cc3ccccc3o1)n2CC 12603666 BXWMPXZMHNABQH-UHFFFAOYSA-N 408.479 4.954 0 40 HJAB CC(C)[C@H](NC(=O)NCc1ccc(OC(F)F)cc1)c1ccc2c(c1)OCCCO2 12779724 OAGRLVGEQRXXBA-FQEVSTJZSA-N 420.456 4.646 0 40 HJAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NC(c3ccccc3)c3ccccc3)ccc12 12808859 KSTNDNXXULOYIT-GOSISDBHSA-N 413.473 4.775 0 40 HJAB COc1ccc(C)cc1NC(=O)CNc1cc(Cl)ccc1OCC(F)(F)F 12824936 AEEFDFZYJYXMLQ-UHFFFAOYSA-N 402.800 4.649 0 40 HJAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3C)CC2)c2ccccc12 12975665 UINCQXMQDXFULW-UHFFFAOYSA-N 420.484 4.787 0 40 HJAB Cc1ccc(NC(=O)Cc2nc(COC(=O)c3ccc4ncsc4c3)cs2)cc1 13109502 RXDUZMLYNNKWOU-UHFFFAOYSA-N 423.519 4.599 0 40 HJAB Cc1cc(F)ccc1N[C@@H](CNS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 13133819 BNWPVMAOBUZKHE-KRWDZBQOSA-N 424.950 4.981 0 40 HJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 13708668 WMJZQXHECURBRL-SFHVURJKSA-N 402.494 4.872 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 13999646 RDKJRKJWMWRBTG-UWXVCKHVSA-N 400.478 4.838 0 40 HJAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1CC 14085437 LOPCHKVXCVTACL-UHFFFAOYSA-N 416.934 4.748 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(F)c(F)cc1Cl 15001338 QKYJDSJDEZMINY-UHFFFAOYSA-N 420.765 4.738 0 40 HJAB Cc1ccc(OCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1C 15356708 IYGLHAWQHWXIBT-UHFFFAOYSA-N 411.889 4.577 0 40 HJAB CCN(Cc1ccc(Cl)s1)C(=O)c1cc(OC)c(Br)c(OC)c1 15611375 JHNYNHXFFAJBEB-UHFFFAOYSA-N 418.740 4.844 0 40 HJAB O=C(CSC1=Nc2ccccc2[C@@H]2CC=NN12)NCc1ccc(Cl)cc1Cl 16045800 ALYLSILORGBWCN-KRWDZBQOSA-N 419.337 4.777 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1cc2nn(-c3ccc(F)cc3)nc2cc1C 16284404 PRPYBAWTUXAQNE-UHFFFAOYSA-N 410.836 4.782 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)cc1 17091077 MSQWRIJRUGOORZ-UHFFFAOYSA-N 417.490 4.944 0 40 HJAB Cc1ccc2c(c1)cc(C(=O)N1CCC(CC(=O)N[C@H](C)c3ccccc3)CC1)n2C 19748625 KVZFKZNRQXMMTP-LJQANCHMSA-N 417.553 4.606 0 40 HJAB Cc1nn2c(ncc3c(=O)n(-c4ccccc4F)ccc32)c1-c1cccc(Cl)c1 19962566 CYQHPPKOUQVNCD-UHFFFAOYSA-N 404.832 4.801 0 40 HJAB COc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1 20044533 UNNCUKZNEZFYGZ-CQSZACIVSA-N 406.320 4.837 0 40 HJAB Cc1ccccc1Nc1nc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs1 27118005 NWVLNSNWHBCFBV-YRNVUSSQSA-N 418.566 4.666 0 40 HJAB CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 27778199 BFLALDSGQHYASC-NEPJUHHUSA-N 418.588 4.962 0 40 HJAB O=C(c1ccco1)N1N=C(C2CC2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 32608407 RXFNZYLATRNRQO-INIZCTEOSA-N 409.829 4.563 0 40 HJAB Cc1nc2c(-c3cccs3)nc(=O)n(Cc3cccc(C(F)(F)F)c3)c2s1 32616345 OCICPLBYUJBGHA-UHFFFAOYSA-N 407.442 4.957 0 40 HJAB O=C(C[S@@](=O)C(c1ccccc1)c1ccccc1)Nc1ccc(F)c(F)c1F 32800999 UJDZDMWQDZOHEL-NDEPHWFRSA-N 403.425 4.581 0 40 HJAB C[C@@H](NC(=O)[C@H]1CCCCN1C(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 32908318 RQSBZQIUDNJZTA-MLGOLLRUSA-N 411.354 4.927 0 40 HJAB O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1c1ccccc1 39778398 GHKDFAVPKIFJQB-XZOQPEGZSA-N 413.473 4.736 0 40 HJAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1ccc(OCc2ccccn2)cc1 40139748 CDYRGHYXYYNGLG-LGMDPLHJSA-N 415.880 4.968 0 40 HJAB CCN1CCN(c2ccccc2NC(=O)N[C@@H](c2cccs2)C(C)(C)C)CC1 40150599 QSCLIKBNYZGSJY-FQEVSTJZSA-N 400.592 4.799 0 40 HJAB COc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccc(OC)cc4)no3)cc2)cc1 46018757 PYBLISKZLZMNSO-UHFFFAOYSA-N 401.422 4.673 0 40 HJAB CCCN(Cc1ccccc1)C(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1 58161518 YXLRNKFYMZNBFB-UHFFFAOYSA-N 422.573 4.864 0 40 HJAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)c(OC)c1OC 71288506 HXJCHNZDWCYJKT-GOSISDBHSA-N 403.504 4.616 0 40 HJAB C[C@@H](Sc1ccccc1Cl)C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 79022631 XJOOPFNTCSLHAG-ZIAGYGMSSA-N 401.919 4.672 0 40 HJAB COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(Sc2ccccn2)cc1 83897433 VVPJEEJOYOSJLM-UHFFFAOYSA-N 404.491 4.612 0 40 HJAB C[C@H]1CCCCN1C(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1 96154633 QSMSECCCAXMHQN-HNNXBMFYSA-N 410.543 4.956 0 40 HJAB Cc1ccccc1OCC(=O)Nc1c(NCc2ccccc2)c2ccccc2oc1=O 101094533 SSULQFZKTPIXKB-UHFFFAOYSA-N 414.461 4.731 0 40 HJAB CSc1cnc(-n2c(-c3ccc(C)cc3)cs/c2=N\C(=O)c2ccccc2)nc1 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O=C1CCCN1c1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1 225520172 FVMMSYBCHZEBPL-UHFFFAOYSA-N 401.535 4.889 0 40 HJAB Cc1cccc(C)c1NC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225818499 CCGPEQRYKQURGJ-UHFFFAOYSA-N 400.276 4.687 0 40 HJAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)o1 257287182 POWBRHZGTWORDK-IBGZPJMESA-N 422.529 4.662 0 40 HJAB CO[C@]1(C(=O)Nc2ccc(OCCCN3CCC[C@H](C)C3)cc2)CCC[C@H](C)C1 260814558 KNHXFUCDABLGTH-MZLICYQSSA-N 402.579 4.721 0 40 HJAB C[C@@H]1CCCCN1c1ccc(NC(=O)COc2ccc(Br)cc2)cc1 408629371 ZPRPRGQKPIKTBZ-OAHLLOKOSA-N 403.320 4.845 0 40 HJAB Cc1ccc(C)c(N(CCCC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)c1 408703416 RJDDGNDDUPFCID-UHFFFAOYSA-N 410.539 4.642 0 40 HJAB CCN(CC)C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704968 WGHNCQHSDWTMAV-OAQYLSRUSA-N 402.947 4.596 0 40 HJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(C(=O)Nc3cccc(Cl)c3)cc1)C2=O 408720944 BRRJBPMWGUMKTH-FDDCHVKYSA-N 410.901 4.908 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2c(C)cccc2C)o1 409165342 WUJAUGNEKRJGPU-UHFFFAOYSA-N 417.918 4.958 0 40 HJAB Cc1cc2occ(C(=O)N[C@@H]3CCc4nc(-c5ccc(F)cc5F)cn4C3)c2cc1C 1615613049 OKFICZFMANSUTI-MRXNPFEDSA-N 421.447 4.936 0 40 HJAB CCc1ccc(C(=O)N2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)cc1 2037912529 NSOBEOPAVKBFAT-DEOSSOPVSA-N 415.961 4.955 0 40 HJAB Cc1cc(Br)ccc1NC(=O)c1sc2nc3c(cc2c1N)CCC3 691661 FEDBZLUWLISWIX-UHFFFAOYSA-N 402.317 4.690 0 40 HJAB O=c1oc2ccc(Cl)cc2cc1-c1nnc(-c2ccc(Br)cc2)o1 846028 NCXNVIZEVINSRH-UHFFFAOYSA-N 403.619 4.926 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Br)o2)c1 858866 HXHGTWGDMCGWAI-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 872967 MFEUYYHCRUJZPU-MRXNPFEDSA-N 411.310 4.609 0 40 HJAB COc1ccc(OCCn2c(NC(=O)c3ccccc3C)nc3ccccc32)cc1 924123 GIMPKOWRRJUHEA-UHFFFAOYSA-N 401.466 4.685 0 40 HJAB Cc1cc2cc(CN(Cc3ccco3)C(=S)NC3CCCCC3)c(=O)[nH]c2cc1C 1224574 CYFVUSNXQYLWNC-UHFFFAOYSA-N 423.582 4.947 0 40 HJAB CCN1c2ccccc2C[C@](CCN(C)Cc2ccccc2)(C(N)=O)c2ccccc21 1565847 PHPYRCJGEGCQNA-MHZLTWQESA-N 413.565 4.646 0 40 HJAB C[C@@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)CCCC2 2307013 CBFBHHZVDKOUNK-GOSISDBHSA-N 418.537 4.599 0 40 HJAB O=C(COC(=O)c1ccccc1OCCOc1ccccc1)c1cccc(Cl)c1 3297685 WRIGMGZTBSLBGA-UHFFFAOYSA-N 410.853 4.838 0 40 HJAB COc1ccc(-n2cnnc2SCCCC(=O)Nc2c(C)cc(C)cc2C)cc1 3405820 JDRXVDAETFNXLJ-UHFFFAOYSA-N 410.543 4.712 0 40 HJAB COc1ccc([C@@H](Br)[C@@H](Br)C(=O)OC2CCCCC2)cc1 4481693 CJEOMHXPSQNGGJ-HUUCEWRRSA-N 420.141 4.771 0 40 HJAB CCOc1ccc(C(=O)NCCc2csc(-c3cccc(C)c3)n2)cc1OCC 4570804 SSGFDMWAYLFHSK-UHFFFAOYSA-N 410.539 4.888 0 40 HJAB Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3cccs3)n2)cc1 4704922 SIKWPQLVXUWDMS-UHFFFAOYSA-N 417.538 4.869 0 40 HJAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCc3ccc(Cl)cc3)c(C)c12 4744321 FGSGZXAZMLATIN-UHFFFAOYSA-N 409.869 4.977 0 40 HJAB COc1cc(C)c(NC(=O)CCCOc2cccc(Br)c2)cc1OC 6259089 WVZDIYIFELBOCG-UHFFFAOYSA-N 408.292 4.572 0 40 HJAB Cc1ccc(C)c(-c2nn(CC(=O)N3c4ccccc4C[C@H]3C)c(=O)c3ccccc23)c1 8242466 CWZVLCQJTCZPQL-LJQANCHMSA-N 423.516 4.658 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)c(C)n1C 8751304 AQMXQLFUZZVYJY-UHFFFAOYSA-N 400.523 4.671 0 40 HJAB C[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccc2c(c1)OCCO2 8986943 JMQYAGMFQAOTCE-ZDUSSCGKSA-N 406.463 4.819 0 40 HJAB C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1nc(-c2ccccc2)cs1 9256152 VBXOOPRIRGGUMP-CQSZACIVSA-N 422.535 4.903 0 40 HJAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)cs1 9390457 MIVZXYNIQSIHSS-UHFFFAOYSA-N 417.893 4.751 0 40 HJAB O=c1[nH]c2ccc(NCc3cc(Br)ccc3OCc3ccccc3)cc2[nH]1 9409901 RPWSQXWTWGPWFD-UHFFFAOYSA-N 424.298 4.810 0 40 HJAB CC(C)c1ccc(-c2nnc(NC(=O)c3ccc4c(c3)NC(=O)CS4)s2)cc1 9514830 USMCYVUEABAJNI-UHFFFAOYSA-N 410.524 4.625 0 40 HJAB COc1ccc(Cc2c(C)nc(SCc3cc(C(C)=O)ccc3OC)nc2O)cc1 9636313 ITQHUIFNUHCUMJ-UHFFFAOYSA-N 424.522 4.594 0 40 HJAB COc1cc(C(=O)NCc2coc(-c3cccs3)n2)cc(Cl)c1OC(C)C 10872943 OYAICKKISUMOQJ-UHFFFAOYSA-N 406.891 4.782 0 40 HJAB CN(CC(=O)NCCc1c[nH]c2ccccc12)[C@@H](c1ccccc1)c1ccc(F)cc1 11651731 DGRRRNNLVBMYJA-SANMLTNESA-N 415.512 4.687 0 40 HJAB Cc1ccc(C)c(OCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667250 OOGLKBQXCRLTDW-GOSISDBHSA-N 403.482 4.816 0 40 HJAB CCCCc1[nH]c(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nc1C 12410918 QKHYSZHSFSWSGN-UHFFFAOYSA-N 416.572 4.924 0 40 HJAB CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccccc1 12875975 IAPQJTWDFSUNMC-UORIYQOSSA-N 405.538 4.993 0 40 HJAB CCC(CC)c1nnc(NC(=O)c2ccccc2OCc2c(C)noc2C)s1 12952156 KYHGVSKBPFGPNO-UHFFFAOYSA-N 400.504 4.878 0 40 HJAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 13058930 PDVNNCGIPCBZPK-QGZVFWFLSA-N 424.570 4.986 0 40 HJAB C[C@@H](NC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 13149829 PVTCMVZUJOYCAR-MRXNPFEDSA-N 421.880 4.605 0 40 HJAB O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1CCOc1ccccc1 13614934 USFKMDZKSWXSFB-QEGGNFSNSA-N 423.512 4.804 0 40 HJAB COCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](c1ccco1)C3 13638357 UHHCYLXQHLHVJM-AWEZNQCLSA-N 407.857 4.702 0 40 HJAB COc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccc4nccnc4c3)C2)c1 13691240 UWNLBXJYRMSPNE-OAQYLSRUSA-N 414.490 4.691 0 40 HJAB Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3ccc4c(c3)OCO4)[C@H]2c2cccs2)cc1 16018611 YYAHCFSZCUMPQE-VGSWGCGISA-N 420.490 4.518 0 40 HJAB CC(=O)N[C@H](CC(=O)N(C)CC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 16180413 GZCFXVAJGXKBHD-WWFGTJDESA-N 402.966 4.582 0 40 HJAB CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 17089797 WDLSFCIROOLVMV-SECBINFHSA-N 414.424 4.892 0 40 HJAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)cc12 17525913 HOIXJASTNXEAKO-UHFFFAOYSA-N 416.510 4.973 0 40 HJAB CC(=O)N1CCC[C@@H](NCc2cc3ccccc3nc2N(C)C)[C@@H]1c1ccc(C)s1 19217325 HVBCAAYXRDLQBG-FYYLOGMGSA-N 422.598 4.513 0 40 HJAB CC[C@H](C)NC(=O)C[C@@H](c1ccc(OC)cc1)c1cc(Br)ccc1O 27517422 PDNKVTNDTIQLFN-GUYCJALGSA-N 406.320 4.600 0 40 HJAB O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1CCc1ccccc1 32845260 YFANMVVOIHFBEL-UHFFFAOYSA-N 412.533 4.506 0 40 HJAB Cc1c(-c2cc(C(=O)NCC(C)(C)c3ccc(F)cc3)c3ccccc3n2)cnn1C 35316598 QQZFHWQCMIGPQQ-UHFFFAOYSA-N 416.500 4.790 0 40 HJAB O=C(Nc1ccccc1Oc1ccccc1Cl)N1CCN(Cc2ccncc2)CC1 40104273 KQRSPSPKXRLYTN-UHFFFAOYSA-N 422.916 4.877 0 40 HJAB CC(C)n1ncc2cc(C(=O)Nc3ccc4[nH]c(-c5ccc(F)cc5)nc4c3)cnc21 40114451 KLLVLQURFXZYDS-UHFFFAOYSA-N 414.444 4.947 0 40 HJAB Cc1cc(NC(=O)c2ccc(COc3ccccc3F)o2)n(Cc2ccccc2)n1 40132776 CLTRBIJYIZKIEA-UHFFFAOYSA-N 405.429 4.803 0 40 HJAB CCc1nn2c(nnc3c(=O)n(C4CCCCCC4)ccc32)c1-c1ccc(F)cc1 40391697 SXNAEYKGQHHFLM-UHFFFAOYSA-N 405.477 4.703 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(C)c1 44883637 RREMJXVCBBCCGI-INIZCTEOSA-N 414.552 4.657 0 40 HJAB COc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1 46022326 UEZNFLDUSOSOJK-UHFFFAOYSA-N 413.568 4.990 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC(C)(C)C)cc3c2)cc1 46058579 ODYNLNLRBDEVIC-UHFFFAOYSA-N 416.568 4.563 0 40 HJAB O=c1[nH]c2ccccc2c(-c2ccc(Cl)cc2)c1NS(=O)(=O)c1ccccc1 69383015 SBZTTXFYFZDSGM-UHFFFAOYSA-N 410.882 4.649 0 40 HJAB Clc1ccc(C2=C[C@H](c3ccc(OCc4ccccc4)cc3)n3nnnc3N2)cc1 101153597 SRHVSNYFNIHLKZ-JOCHJYFZSA-N 415.884 4.962 0 40 HJAB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@H]3[C@@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)cc1 101649626 SUBGWVVPOYQJTR-DJZWADDQSA-N 405.494 4.913 0 40 HJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCCOC 216449206 UGEVZIPFAGEEJN-IBGZPJMESA-N 420.962 4.616 0 40 HJAB CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220734239 NOVHCXICTMFMMK-HXUWFJFHSA-N 422.978 4.955 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(OC)c1 222976870 FPJOCBVWKRHUGA-VXKWHMMOSA-N 406.555 4.654 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223087329 SXGTUSKUZWSORI-IBGZPJMESA-N 424.585 4.522 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(Cl)cc1 223198055 ORMLSDXHGZBPMJ-LJQANCHMSA-N 422.953 4.515 0 40 HJAB CC(C)CSc1nnc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)s1 223285298 ZXBBEWJFRCQPFW-OAHLLOKOSA-N 404.605 4.770 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 223745928 OYGORRKKTAGDDT-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB Cc1ccc(CN(C(=O)CCCOc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 223811675 JUSACEYIZRDCAF-OAQYLSRUSA-N 422.569 4.630 0 40 HJAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccccc1C 224101283 HHBIVIOQZAIQRE-UHFFFAOYSA-N 404.466 4.793 0 40 HJAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 224610970 ODFVBHZEKMFNMR-DHIUTWEWSA-N 412.518 4.755 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 224767765 PTWNRNVIJTYSQB-QHCPKHFHSA-N 412.549 4.565 0 40 HJAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)cc1C 225147744 WWPJJCLFMKFIFP-LEWJYISDSA-N 406.511 4.509 0 40 HJAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(Br)cc1F 225582527 XNMQYJOPXGUFGE-CQSZACIVSA-N 402.377 4.529 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)Cc2cccc(Br)c2)cc1OCC 225622803 ZKHVCDUURXOUAG-AWEZNQCLSA-N 406.320 4.666 0 40 HJAB CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)cc1C(=O)OCC 225853976 UWGNPXJGQOTEQT-HXOBKFHXSA-N 405.535 4.966 0 40 HJAB CNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)CC2CCCC2)CC1 257261123 LFUMNJCSKCSLCP-UHFFFAOYSA-N 424.610 4.893 0 40 HJAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)CCc2ccccc2)C1 257301245 RXQNBWPPEDWLCZ-LJQANCHMSA-N 420.578 4.988 0 40 HJAB CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)NC(SCc2ccc(F)cc2)=N1 408987183 DYFZYLXJQMLXGJ-QGZVFWFLSA-N 424.328 4.826 0 40 HJAB CC[C@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1OC 409009222 CBIKFRUOLLTHCV-HNEYUBDGSA-N 400.862 4.623 0 40 HJAB CCCN(CCC)C(=O)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 409129108 ITOXWBTZIWTXMO-UHFFFAOYSA-N 422.510 4.751 0 40 HJAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 409347474 PZNZDPYLXLUOBG-ZDLGFXPLSA-N 414.914 4.886 0 40 HJAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]21)c1ccccc1 409369412 MSANGIVSAPSHGN-VURPSTOHSA-N 420.306 4.844 0 40 HJAB O=C(CCNC(=O)N1CCc2ccccc2C1)Nc1ccccc1Nc1ccccc1 538607772 SHGWCMVSSBWZDF-UHFFFAOYSA-N 414.509 4.527 0 40 HJAB O[C@H]1C[C@@H]2CN(Cc3cccc(Cl)c3)C[C@@H]2C[C@@H]1n1ccnc1-c1ccccc1 2332242754 NZSLGGYVUJKJDQ-MQFRRQCYSA-N 407.945 4.648 0 40 HJAB CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nnc(Cl)cc1Br 2362719133 OVIRUMFUQLQSJA-UHFFFAOYSA-N 408.680 4.569 0 40 HJAB COc1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)c1 646134 SWLDRMFQXKCVLJ-DEOSSOPVSA-N 403.478 4.500 0 40 HJAB C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3465830 CLSHXBDJLJLJMM-MRXNPFEDSA-N 417.494 4.574 0 40 HJAB COc1ccc(C)cc1NC(=O)CSc1nnc(Nc2ccc(C)cc2)s1 3529745 DXJWVLFKYDXOFT-UHFFFAOYSA-N 400.529 4.638 0 40 HJAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3C=O)[C@H](COC(C)=O)CC[C@@H]12 4073404 ZHHSQWXVDIXZCB-RFANRMBXSA-N 418.530 4.600 0 40 HJAB biogenic CCCCNC(=S)N(Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 4134158 KCUYGFKYIIMSPI-UHFFFAOYSA-N 413.612 4.883 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)c2cc(C)ccc2C)cc1 4178500 ODIDDUCVPGHRAQ-UHFFFAOYSA-N 401.462 4.904 0 40 HJAB CCc1ccccc1NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl 4669065 QFBAIRCJIWWYBF-UHFFFAOYSA-N 410.297 4.897 0 40 HJAB Cc1cccc2[nH]c3c(N4CCN(c5cccc(C(F)(F)F)c5)CC4)ncnc3c12 5164509 FVVBEKPLONPAST-UHFFFAOYSA-N 411.431 4.765 0 40 HJAB CCOc1ccc2c(c1)C(c1ccc(N(C)C)cc1)=NNC(c1ccc(OC)cc1)=N2 6090210 XHNQGPJAHJLRAV-UHFFFAOYSA-N 414.509 4.594 0 40 HJAB O=C(CCc1ccccc1)NCCCCCCCCNC(=O)CCc1ccccc1 6338696 UVSOBDNHOZAGJD-UHFFFAOYSA-N 408.586 4.825 0 40 HJAB Cn1ccnc1SCC(=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 6369336 JBYQZEZPEIQUGC-UHFFFAOYSA-N 413.562 4.649 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 6531946 DACFESMOXZXNLZ-UHFFFAOYSA-N 402.523 4.969 0 40 HJAB O=c1oc2c3c(ccc2c2c1CCCC2)OCN(c1ccc(Br)cc1)C3 6900565 QVCZNPVBIFWTGL-UHFFFAOYSA-N 412.283 4.791 0 40 HJAB CCc1ccc(N2C(=O)CS[C@@]23C(=O)N(Cc2ccccc2)c2ccccc23)cc1 6997082 LGVSCJVUAJHSSG-VWLOTQADSA-N 414.530 4.729 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@H](NCc1ccccc1CN1CCCC1)c1ccccc1 8229969 XZLFABKHTFJXLB-RUZDIDTESA-N 417.528 4.891 0 40 HJAB COc1ccc(-c2nnc(SCc3cscn3)n2CCc2ccccc2)cc1 8328106 ZWSKIIXPOPBQBZ-UHFFFAOYSA-N 408.552 4.945 0 40 HJAB O=C(COc1ccc(-c2ccccc2)cc1Br)NCc1cccs1 8566814 DAWMMGFKJRENMA-UHFFFAOYSA-N 402.313 4.873 0 40 HJAB CCOc1ccc(-c2nc(COC(=O)Cc3c[nH]c4ccccc34)cs2)cc1OC 8823947 VMOLMXMZVBYJQG-UHFFFAOYSA-N 422.506 4.985 0 40 HJAB CCN(Cc1cccs1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 9336861 WBQUSORXDLKHSN-UHFFFAOYSA-N 402.523 4.717 0 40 HJAB Cn1c(-c2ccc(F)cc2)c([C@H]2c3ccccc3C(=O)N2CC(=O)O)c2ccccc21 9526149 OCOHWMKYWBSCIV-XMMPIXPASA-N 414.436 4.614 0 40 HJAB CC(C)c1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)cc1 9708880 HGQUTSXEDMPNHO-UHFFFAOYSA-N 424.936 4.972 0 40 HJAB O=C(Nc1ccccc1C(=O)NCc1csc(-c2ccccc2)n1)c1ccco1 10893771 PRJGPAUZMISNCY-UHFFFAOYSA-N 403.463 4.585 0 40 HJAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)cc2)cc1 12193364 QSAUBTCGSFZJBA-RCZVLFRGSA-N 416.477 4.955 0 40 HJAB CSc1ccc(C)c(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)c1 12734733 WPWSGZOAYJECNR-UHFFFAOYSA-N 417.581 4.790 0 40 HJAB O=C(CSc1nnc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)n1)c1cccs1 13566990 MDGZLGLKCNJUEO-UHFFFAOYSA-N 421.503 4.653 0 40 HJAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)Nc4ccccc4F)ccc23)cc1 13572631 WRAQQTOLJLSYMB-UHFFFAOYSA-N 419.408 4.625 0 40 HJAB Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2cccs2)C4)cc1 13634392 WKKRBBJIGSDAEK-HNNXBMFYSA-N 406.536 4.699 0 40 HJAB COc1ccc(-c2nnc3sc(-c4ccc(Cl)c(Cl)c4)nn23)cc1OC 13956921 XVMFEVGDPBGOKW-UHFFFAOYSA-N 407.282 4.844 0 40 HJAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1nn2cc(-c3ccccc3)nc2s1 14075070 GTRFCQOIFLUFCJ-UHFFFAOYSA-N 403.294 4.946 0 40 HJAB C[C@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N(Cc1ccccc1)Cc1ccccc1 14226378 RLTBIXARMVJWRN-KRWDZBQOSA-N 418.522 4.774 0 40 HJAB CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccc(F)cc3)CC[C@H]21 19081620 FRXXGBMAZICIOK-NJDAHSKKSA-N 400.563 4.750 0 40 HJAB Cc1cccc(CC(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2onc(C)c2C)c1 19234741 MHFCDVCRZGAVMF-NRFANRHFSA-N 404.514 4.662 0 40 HJAB COCc1ccc(C(=O)N2CC[C@@H](c3nc(C4CCC4)n4c(C)csc34)C2)cc1 19240530 MGTXCGSTIQFADK-LJQANCHMSA-N 409.555 4.748 0 40 HJAB O=C(C1CCCC1)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19373280 AYFFASYHPUJKLC-HXUWFJFHSA-N 413.525 4.788 0 40 HJAB CC(C)c1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)c4cccnc4)C3)noc2n1 19452066 IWPONJJEFCFEEL-AWEZNQCLSA-N 418.419 4.780 0 40 HJAB Brc1ccc(-c2nc3nc4ccccc4nc3n2C[C@H]2CCCO2)cc1 19892006 OYKUZQCVUUMMKU-OAHLLOKOSA-N 409.287 4.588 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C 20029914 IRBGXGYPNIUVHI-UHFFFAOYSA-N 413.339 4.842 0 40 HJAB Cc1nc(-c2cccnc2)sc1C(=O)N[C@@H](C)c1cccc(Br)c1 20030102 FKRWAXRCPFBSNI-NSHDSACASA-N 402.317 4.767 0 40 HJAB CCOc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1Cl 20142422 YHGUSMYPNHWYAP-UHFFFAOYSA-N 401.846 4.752 0 40 HJAB COc1ccc(CCN2COc3ccc4c(=O)c(-c5ccccc5)coc4c3C2)cc1 20647332 CMXLHPOBDDAMIM-UHFFFAOYSA-N 413.473 4.863 0 40 HJAB biogenic Cc1nc(COc2ccccc2C(=O)NCc2coc(-c3cccs3)n2)cs1 23077815 HGMJOHIEWLFRNT-UHFFFAOYSA-N 411.508 4.677 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cccc(-c2ccn[nH]2)c1 24886683 LJRREMJXOGZHDX-UHFFFAOYSA-N 405.889 4.844 0 40 HJAB COc1cc(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1OCc1ccncc1 30544939 UKSHRYSFBSVDPZ-IBGZPJMESA-N 414.509 4.706 0 40 HJAB C[C@H]1CCc2nc(NC(=O)c3nccnc3-c3nc4ccccc4s3)sc2C1 32744605 PSIHOOPRPXUADC-NSHDSACASA-N 407.524 4.587 0 40 HJAB COc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccccc4F)n3)c2)cc1 33327356 SRWUNBKKJBIAHZ-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB O=C1NCCN1c1cccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)c1 40108523 YHYDPZYZCUATMQ-UHFFFAOYSA-N 417.431 4.686 0 40 HJAB COc1c(F)c(F)c(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2C)c(F)c1F 59294342 HYTUDOZPUCYULK-UHFFFAOYSA-N 422.334 4.658 0 40 HJAB CC(C)Cn1cc(NCc2cc(Br)c3c(c2)OCO3)c(C(F)F)n1 95455356 WPZCAUCCVWQASI-UHFFFAOYSA-N 402.239 4.580 0 40 HJAB COC(=O)c1sccc1N(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 98212016 IPFXYBQUSTXEKB-UHFFFAOYSA-N 415.536 4.547 0 40 HJAB O=C(NC1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1)c1cccc2[nH]ccc12 98212662 AFYJWNAAPDFCKV-UHFFFAOYSA-N 419.916 4.610 0 40 HJAB COc1ccc(OC)c2[nH]c(C(=O)N3[C@@H]4CC[C@@H]3CC(c3ccc(F)cc3)C4)cc12 100166769 IEIMGBPNXQUSLP-QZTJIDSGSA-N 408.473 4.875 0 40 HJAB C[C@H](NC(=O)C1CCC(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102955560 IOGFZBPTYATEIP-JZSZKFEKSA-N 414.634 4.675 0 40 HJAB C[C@@H](NC(=O)C1CCC(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 195560455 IOGFZBPTYATEIP-NBEVUPRKSA-N 414.634 4.675 0 40 HJAB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1[C@@H]1CC=CCC1 216580707 FCLOAWQVNAAUKG-DUXKGJEZSA-N 409.530 4.506 0 40 HJAB CCn1c(Cl)nc2cc(C(=O)N(Cc3ccccc3)Cc3cccn3C)ccc21 222556090 OVTRHXJVMRUTFK-UHFFFAOYSA-N 406.917 4.891 0 40 HJAB CC(C)c1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222663676 GAJVYRDQGYXBNE-LJQANCHMSA-N 410.558 4.521 0 40 HJAB O=S(=O)(NCc1cccc(Oc2ccccc2)c1)c1ccc(Br)cc1 223724614 RVDGVOXQKXYAFC-UHFFFAOYSA-N 418.312 4.720 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cccc(C)c3C)ccc2C)cc1 224058068 SFFXPRDLXUDIGZ-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1c1ccccc1 224179525 WVSHMQUMCHYDSS-GOTSBHOMSA-N 411.534 4.504 0 40 HJAB CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(OC)c(Cl)c2)c2ccccc2O1 224463755 BYKUPZAJUJESMW-KRWDZBQOSA-N 409.935 4.710 0 40 HJAB Cc1cccc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)c1 224702154 YZIUJTQCCHUWGM-NRFANRHFSA-N 422.569 4.548 0 40 HJAB Fc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCC1 225022768 AKHQRQQBYFPYTK-VXKWHMMOSA-N 406.530 4.927 0 40 HJAB CC(C)n1c(=O)sc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21 225129179 QFSSGVJCGWOZIP-UHFFFAOYSA-N 411.310 4.968 0 40 HJAB COC(=O)c1cc(NC(=S)NCCCSCc2ccccc2)ccc1Cl 225598178 ONDZEBFHKYSLLK-UHFFFAOYSA-N 408.976 4.737 0 40 HJAB CCn1c(=O)sc2cc(NC(=O)c3ccc(CN4CCC[C@H](C)C4)cc3)ccc21 260897266 KJCKFEUDLLRYJZ-INIZCTEOSA-N 409.555 4.567 0 40 HJAB CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N(C)C1=S 409031759 AYLOIJWKRWCZQQ-YVLHZVERSA-N 407.322 4.602 0 40 HJAB Cn1c(C(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)cc2cc(Cl)ccc21 604405225 NWMOKYQHWWBYCK-XZGZTLBWSA-N 423.988 4.867 0 40 HJAB biogenic Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 869911 ZBMJTILGPQSPDP-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB Cc1ccccc1[C@H]1C[C@@]2(CC(C)(C)NC(=S)N2)Oc2cc(O)c(Cl)cc21 881898 IKPOGTNYNYLUHX-VFNWGFHPSA-N 402.947 4.611 0 40 HJAB CCc1cc(=O)oc2cc(OC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 2150464 LGFWKXVUDHYMHO-OAQYLSRUSA-N 423.465 4.527 0 40 HJAB biogenic O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc2cc([N+](=O)[O-])ccc2oc1=O 2951590 TVBLEFVIFXDSKE-UHFFFAOYSA-N 412.707 4.626 0 40 HJAB Cc1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)c(Br)c1 3311261 GPKQDXDTXMERCE-UHFFFAOYSA-N 412.283 4.635 0 40 HJAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4174672 HKHQLIVJCSXRRW-NQMAXJQTSA-N 423.553 4.840 0 40 HJAB Cc1ccc(CN2CCN(c3ncnc4sc5c(c34)C[C@@H](C)CC5)CC2)c(C)c1 4284121 AMXLSOWIMPHJNG-KRWDZBQOSA-N 406.599 4.755 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCc2cccc(Cl)c2)cc1C 4649046 CGEHDNSVPRHASC-JCMHNJIXSA-N 422.912 4.680 0 40 HJAB COC(=O)c1ccccc1NC(=S)N(CCc1nc2ccccc2[nH]1)C1CCCC1 4858982 QNKRFMXZBZNUMI-UHFFFAOYSA-N 422.554 4.534 0 40 HJAB CCCCOc1ccc(-c2nnn(CC(=O)Nc3c(C)ccc4ccccc34)n2)cc1 4973948 IWGDWZCXISBDLZ-UHFFFAOYSA-N 415.497 4.619 0 40 HJAB C[C@@H]1Cc2ccccc2N1Cc1cc(=O)c(OCC(=O)c2ccc(Cl)cc2)co1 5184529 WHCSTFZJJKMYCN-OAHLLOKOSA-N 409.869 4.506 0 40 HJAB Cc1cc(C)c2nc(N(Cc3ccccn3)C(=O)COc3ccccc3)sc2c1 5265326 RXJKROQESPHYGP-UHFFFAOYSA-N 403.507 4.920 0 40 HJAB CCCCn1c(O)c(C(=O)Nc2ccccc2C(F)(F)F)c(=O)c2ccccc21 5890763 AXOMACRHSHTVBG-UHFFFAOYSA-N 404.388 4.778 0 40 HJAB CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)CC1 6517630 BNAOKLHJKJYOPW-ONNFQVAWSA-N 404.341 4.787 0 40 HJAB COc1cccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccccc3)n2)c1 6531917 NFOIMQDNXCVQNY-UHFFFAOYSA-N 419.510 4.555 0 40 HJAB CSc1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 6639392 FRNBYIBQWMWSJG-UHFFFAOYSA-N 419.550 4.731 0 40 HJAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc2ccccc12 6816863 SUPYHIXJUNLQFD-UHFFFAOYSA-N 402.475 4.719 0 40 HJAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)n1 6982528 HFSPRQAAOMYNET-UHFFFAOYSA-N 420.538 4.581 0 40 HJAB CC1(C)Cc2cccc(OCC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)c2O1 7158666 GQIJNSUQSYTWBZ-UHFFFAOYSA-N 416.449 4.819 0 40 HJAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Oc2cc(C)ccc2C(C)C)CC1=O 7928750 SANWRTLRFFPYKT-HNNXBMFYSA-N 401.890 4.739 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C 8230274 KXFOOVWZLSJVHA-UHFFFAOYSA-N 415.946 4.745 0 40 HJAB CN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)[C@H]1CCCc2ccccc21 8266636 JCBODMVJBQMAIG-FQEVSTJZSA-N 418.522 4.846 0 40 HJAB COc1cc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)cc(OC)c1OC 8592802 HJSDNTDYNGPWOM-UHFFFAOYSA-N 423.252 4.927 0 40 HJAB Cc1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2Cc1ccccc1Cl 8593168 XOCJVUWXGUHTEH-UHFFFAOYSA-N 424.953 4.786 0 40 HJAB O=c1c2oc3nc4c(cc3c2ncn1Cc1c(Cl)cccc1Cl)CCCC4 8665000 LZONFPLMNWSJIG-UHFFFAOYSA-N 400.265 4.772 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c(C)c1 8902802 MSVWVSZNNHCXIN-UHFFFAOYSA-N 421.478 4.776 0 40 HJAB O=C(Nc1nnc(-c2ccccc2)o1)c1cccc(NC(=O)c2cc3ccccc3o2)c1 9062104 BJBBPSYORHSSRJ-UHFFFAOYSA-N 424.416 4.987 0 40 HJAB CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 12020771 YHALWZPROJMIQR-UHFFFAOYSA-N 409.313 4.744 0 40 HJAB COc1ccc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1O 12185743 NGCRMPOKGTZENM-IBGZPJMESA-N 422.481 4.902 0 40 HJAB CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1ccc2c(c1)OCCCO2 12749590 CCZIMTVVAKDYSA-LHSJRXKWSA-N 404.457 4.884 0 40 HJAB Cc1ccc2c(Cn3cnc4scc(-c5ccccc5)c4c3=O)cc(=O)oc2c1 12754085 GUYJTZLJJHUDPH-UHFFFAOYSA-N 400.459 4.588 0 40 HJAB CC(=O)Nc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1 12999440 SFRQINGWDUFGKA-UHFFFAOYSA-N 415.902 4.515 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 13011268 XFMLSPYCDTYFPK-CQSZACIVSA-N 415.902 4.547 0 40 HJAB CC(C)Oc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 13680449 GSPZNZZEZFDDIA-UHFFFAOYSA-N 416.524 4.588 0 40 HJAB COc1ccc(CCc2nnc(NC(=O)c3c(-c4ccccc4)noc3C)s2)cc1 13856306 UNALEAUNXWQPNS-UHFFFAOYSA-N 420.494 4.548 0 40 HJAB O=C(c1nc(Cl)ccc1Cl)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 16014793 MQWQSOZMOLOCDN-UHFFFAOYSA-N 423.687 4.897 0 40 HJAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 17167169 UTRYIIFWLLCCNW-CCNLRRDASA-N 410.495 4.539 0 40 HJAB CC(C)(C)C(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19081336 PNXWBBCADAEIOM-FQEVSTJZSA-N 401.514 4.992 0 40 HJAB Cc1cc(C)cc(-c2ccccc2CC2(C(=O)NCC3CCOCC3)CCOCC2)c1 19569851 SMFINRQSGKWGOD-UHFFFAOYSA-N 421.581 4.853 0 40 HJAB COc1ccccc1CN(C(=O)c1cc2c(C)cc(C)cc2[nH]1)C1CCN(C)CC1 19663403 IOEZTVIEWINLKA-UHFFFAOYSA-N 405.542 4.530 0 40 HJAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccccc2N2CCOCC2)s1 19819536 VRKXNKIEMTZOJQ-UHFFFAOYSA-N 413.568 4.588 0 40 HJAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(Br)cc1 20029953 UWBLRSHQFHMQOM-NSHDSACASA-N 418.740 4.541 0 40 HJAB COc1c2c(cc3c1[C@H](CC(=O)c1cc(Cl)ccc1Cl)N(C)CC3)OCO2 20113074 DPAXTWIRFDWEOO-HNNXBMFYSA-N 408.281 4.533 0 40 HJAB biogenic CC(=O)Nc1sc2c(c1[C@@H](c1ccc(Cl)cc1)N1CCOCC1)CCCC2 20192257 QIAZOMBRXDRAMB-HXUWFJFHSA-N 404.963 4.660 0 40 HJAB COC(=O)c1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)ccc1Cl 20459573 OCTMLSNXTONGAB-UHFFFAOYSA-N 417.870 4.720 0 40 HJAB FC(F)(F)Oc1ccc(-n2c(-c3cncc(Br)c3)n[nH]c2=S)cc1 20746024 BRAKYDLFYCXELT-UHFFFAOYSA-N 417.210 4.653 0 40 HJAB Cc1cnc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cn1 21838197 UAQGPFOUBMWBRA-UHFFFAOYSA-N 412.824 4.757 0 40 HJAB COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCc1nc(C)no1 23373588 VVORLNWVKWRFFF-UHFFFAOYSA-N 403.438 4.680 0 40 HJAB CCc1nc(CSc2nc3ccccc3c(=O)n2Cc2ccc(OC)cc2)cs1 24323210 GRZVFXZXJHIFMA-UHFFFAOYSA-N 423.563 4.765 0 40 HJAB CCOP(=O)(OCC)[C@@H](NC(=O)c1ccccc1F)C(Cl)(Cl)Cl 26962841 ZKGDNYIQJSGONS-GFCCVEGCSA-N 406.605 4.518 0 40 HJAB COCCN(Cc1ccccc1)C(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 27760539 LTQGTWZMSXMJSE-UHFFFAOYSA-N 421.522 4.857 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)COc3ccc(C(C)(C)C)cc3)cs2)cc1 27993603 CGVZDTZMMPVDMM-UHFFFAOYSA-N 424.566 4.854 0 40 HJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(OCC(C)C)cc1)CC(O)=N2 32101381 NIXXEPAXHGGSRQ-MRXNPFEDSA-N 411.893 4.783 0 40 HJAB Cn1cnnc1-c1ccc(NC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1 32832521 PMBADSPHZDFKOW-YCRREMRBSA-N 406.795 4.806 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2ncnc3c(-c4cccc(C)c4)c[nH]c23)cc1 33291872 ZKXSQFRXQJKEBS-UHFFFAOYSA-N 416.506 4.867 0 40 HJAB COc1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1OC 38834965 NZWGXAMDRPZKTC-UHFFFAOYSA-N 423.340 4.861 0 40 HJAB Cc1ccc2c(Nc3ccc(F)c(Cl)c3)c(C(=O)N3CCSCC3)cnc2n1 49004879 AHGHEFTZXFXTTG-UHFFFAOYSA-N 416.909 4.663 0 40 HJAB CCOc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc(Cl)c1OC 50547850 XSBUCQWKMCRNDH-YBEGLDIGSA-N 404.875 4.841 0 40 HJAB CC(C)N(Cc1ccc(-c2ccccc2F)s1)C(=O)c1cc(C(N)=O)cs1 56448324 DVWBGCORVHNDAA-UHFFFAOYSA-N 402.516 4.765 0 40 HJAB CC(=O)Nc1sc(NC(=O)COc2ccc(Cl)c(C)c2)nc1-c1cccs1 61997356 CZPMQQFPFRMIMH-UHFFFAOYSA-N 421.931 4.809 0 40 HJAB CC[C@H](C)n1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2cc(C)[nH]c2c1=O 67238881 ZUVGBSNGAGHIJT-INIZCTEOSA-N 412.559 4.660 0 40 HJAB c1ccc2cc(Cc3nnc(C4(c5ccc6c(c5)OCO6)CCOCC4)o3)ccc2c1 71889960 HWYQWOVHNDKGBG-UHFFFAOYSA-N 414.461 4.639 0 40 HJAB CN[C@H](c1ccc(Br)cc1)c1nc(-c2ccc(Br)cc2)c[nH]1 72414102 DCCIVDCUBFIOIS-MRXNPFEDSA-N 421.136 4.911 0 40 HJAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N(Cc1ccsc1)Cc1ccco1 77200819 LJCHBUXESYLYMX-UHFFFAOYSA-N 415.458 4.892 0 40 HJAB C[C@H](NC(=O)C1CCC(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1)[C@H]1C[C@@H]2CC[C@@H]1C2 102955556 IOGFZBPTYATEIP-RBJPPALJSA-N 414.634 4.675 0 40 HJAB Cn1/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)sc2cc(Br)ccc21 108908532 YPTJRHDAMQKXIZ-DYTRJAOYSA-N 405.361 4.646 0 40 HJAB CC(C)c1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222663610 GAJVYRDQGYXBNE-IBGZPJMESA-N 410.558 4.521 0 40 HJAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc21 223115679 PWOXGLROSGGUHT-UHFFFAOYSA-N 413.543 4.790 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(CC)cc1 223690787 QLWABWTWXZYCDA-XMMPIXPASA-N 424.585 4.660 0 40 HJAB O=C(Nc1cccc(F)c1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224030939 NYJRGDDNJMHFJF-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB Cc1ccccc1CN(C(=O)COc1ccc(C(C)C)cc1)[C@H](C)C(=O)NCC(C)C 224134247 GGTPIDWMHWCCBQ-OAQYLSRUSA-N 424.585 4.687 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 224242175 VWOFWFFYORXCQQ-INIZCTEOSA-N 421.368 4.725 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)N[C@H](C)CC)cc1 225547334 LBZXXTWLPAVTSG-HYBUGGRVSA-N 424.585 4.658 0 40 HJAB COc1ccc(CCCNC(=S)Nc2ccc(Br)c(C)c2)cc1OC 225627287 PRUFGZNLEXEUFX-UHFFFAOYSA-N 423.376 4.694 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 225640633 DYEBYIMSANZYCX-KKSFZXQISA-N 418.940 4.744 0 40 HJAB CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C)c1ccccc1 225713016 OMWLICHRXIBCMN-SFHVURJKSA-N 418.584 4.710 0 40 HJAB CC(C)Oc1cccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1 225788713 XWCFUXDKBVEBHV-JCMHNJIXSA-N 420.534 4.623 0 40 HJAB CC(C)Sc1ccc(CC(=O)N2CC[C@H](Oc3cccc4cccnc34)C2)cc1 252492910 MXHYUCGNMFWNIV-FQEVSTJZSA-N 406.551 4.958 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)c1 257287586 PQORSWJOYRVRIC-NRFANRHFSA-N 410.901 4.834 0 40 HJAB COc1cc(C[C@H]2SC(=O)N(CC(C)C)C2=O)ccc1OCc1ccc(C)cc1 409145123 MUKCMPDNFANGIN-OAQYLSRUSA-N 413.539 4.845 0 40 HJAB O=C(Nc1ccccc1F)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 409174406 SHFOCUSSRJGPER-DEOSSOPVSA-N 420.509 4.895 0 40 HJAB COc1ccccc1CSCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 609853095 XIJVTYRZCSPNQW-KRWDZBQOSA-N 412.536 4.961 0 40 HJAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)Cc3ccccc3)CC2)C1 643570708 OUIKEGAVGBLUFO-UHFFFAOYSA-N 420.597 4.575 0 40 HJAB O=C(CSc1nnc(CNc2ccc(F)cc2)o1)Nc1cccc2ccccc12 917713 SKYOCVDSFWJLDD-UHFFFAOYSA-N 408.458 4.705 0 40 HJAB C[C@@H]1CCc2c(sc3ncn4c(SCC(=O)c5ccc(F)cc5)nnc4c23)C1 929594 XYSGUTVLXDXROD-LLVKDONJSA-N 412.515 4.578 0 40 HJAB CN(C(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)c1ccccc1 1080793 AZFQPYVOUCNGMH-UHFFFAOYSA-N 417.896 4.770 0 40 HJAB Brc1ccc(-c2nnc3c4ccccc4nc(N4CCCCC4)n23)cc1 1400143 DVLOLMGGXBYOAI-UHFFFAOYSA-N 408.303 4.697 0 40 HJAB CC[C@H](C)NC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc12 2386796 VTUYTMHCESDPON-ZDUSSCGKSA-N 407.905 4.646 0 40 HJAB CCC[C@@H](C)NC(=O)COC(=O)c1sc2c(Cl)c(OC)ccc2c1Cl 2640693 HQRKSVXBOGIMAQ-SECBINFHSA-N 404.315 4.678 0 40 HJAB O=C(COc1ccc(OCc2ccccc2)cc1)OCC(=O)c1cc2ccccc2o1 3271714 RUPZUGXZTAGAHL-UHFFFAOYSA-N 416.429 4.817 0 40 HJAB O=C(CSc1ccccc1C(=O)NCc1ccc(F)cc1)NCC1CCCCC1 3420860 GAMSMBMKGRLXBQ-UHFFFAOYSA-N 414.546 4.544 0 40 HJAB C[C@@H](NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1 3513572 HUWHFHYJGKDICJ-MRXNPFEDSA-N 421.880 4.605 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCCCC3)c1C 4767967 BTSMNIBFHVUYMN-CQSZACIVSA-N 417.527 4.567 0 40 HJAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccccc2OC)C[C@@H]1c1ccc(C)cc1 4816942 OSQHJABCGBRNHV-NHCUHLMSSA-N 404.514 4.853 0 40 HJAB CC[C@@H](C)c1ccccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 5318896 IGCMFYQDWZBBHY-HUUCEWRRSA-N 409.555 4.735 0 40 HJAB CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2Cc3occc3[C@@H](C)[C@@H]12 5368609 ZRIFHZYKUAYXCS-YKWVVLGBSA-N 402.531 4.881 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(Cl)cc2)NC(=O)N1 5560248 VMDIPEFCFAFXBX-INIZCTEOSA-N 409.795 4.625 0 40 HJAB O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccccc1Br 6315041 QSQWRPNEGCXMDM-UHFFFAOYSA-N 402.313 4.517 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)CCc1cc(OC)c(OC)c(OC)c1 6510870 AJCMSXJQTKCRHF-UHFFFAOYSA-N 401.503 4.590 0 40 HJAB COC[C@H](C)n1c(COc2ccccc2F)nn(CN2[C@@H](C)CCC[C@@H]2C)c1=S 6587778 PVOVWDJZOPIROK-ULQDDVLXSA-N 422.570 4.560 0 40 HJAB Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)N3CCOCC3)c2c1 6671842 WPEULZIPEMVKMN-UHFFFAOYSA-N 413.521 4.873 0 40 HJAB Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCOC(C)C)[C@H]3c1ccccc1F 6743365 IZAOKGYIKINRKL-QFIPXVFZSA-N 423.484 4.909 0 40 HJAB aggregator O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(Cl)c2)N1Cc1cccnc1 6744667 MBDLBDGGSSEJKT-QFIPXVFZSA-N 416.868 4.576 0 40 HJAB Cc1ccc2c(CSc3nc4ccccc4c(=O)n3CC(C)C)cc(=O)oc2c1 6942321 GZOPFRGTYBDRSO-UHFFFAOYSA-N 406.507 4.760 0 40 HJAB COc1ccc2oc(C(=O)Nc3nc(-c4ccc5c(c4)OCO5)cs3)c(C)c2c1 7408878 PGGBLMPOUOKKTM-UHFFFAOYSA-N 408.435 4.854 0 40 HJAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)c1 7882589 FXDVRJXKQXCEEH-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB COc1ccc([C@@H](CNC(=O)COc2ccccc2C)c2c[nH]c3ccccc23)cc1 7890051 ZAFOTLLTCMCNQD-JOCHJYFZSA-N 414.505 4.812 0 40 HJAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)c(C)cc1Br 7928354 ULJRNVXMDZRCDE-INIZCTEOSA-N 415.331 4.674 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 8434307 DXMFSLPCPTXQAY-NHCUHLMSSA-N 404.510 4.743 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)c2ccccc2)c1 8718493 VMPOJKXXFCFBBB-UHFFFAOYSA-N 424.522 4.762 0 40 HJAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1ccc(Br)cc1 9198105 YBENYOZHVWUWKM-UHFFFAOYSA-N 423.723 4.618 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(c1nnc(C)s1)C3=O 9215861 CZTFWTCUIZVOJJ-QGZVFWFLSA-N 423.881 4.665 0 40 HJAB O=C(NCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc2ccccc2c1 9996112 QKMYVZTXYVRTJA-HXUWFJFHSA-N 415.518 4.543 0 40 HJAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(C3CC3)nc3ccccc23)c1C 10943590 FEKHHZCWNLQESP-ZDUSSCGKSA-N 409.511 4.602 0 40 HJAB O=C(Cc1csc(COc2ccc(F)cc2)n1)Nc1ccc(N2CCCC2)cc1 11547542 ZMQONSFAIYRAAZ-UHFFFAOYSA-N 411.502 4.643 0 40 HJAB Cc1cc(C)cc(OCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1 11667147 AWPNJKUMDDGCDG-UHFFFAOYSA-N 417.509 4.987 0 40 HJAB Cc1cc(C(=O)COc2ccc(-n3ccnc3)cc2)c(C)n1CCc1ccc(F)cc1 12640528 PDGSZJJUJJRHPL-UHFFFAOYSA-N 417.484 4.934 0 40 HJAB CCOc1ncccc1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 12748716 KSYJVVQLKBVZTF-UHFFFAOYSA-N 418.316 4.542 0 40 HJAB Cc1ccc(C(=O)c2ccccc2C(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 12917607 RUSFYHANYWOWST-UHFFFAOYSA-N 414.505 4.554 0 40 HJAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1ccccc1Br 12980834 CRAGPYZGAUEIDZ-NSHDSACASA-N 402.317 4.767 0 40 HJAB O=C(c1ccc(F)cc1)N(Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 13511377 QBJAQZCIKWNGHT-UHFFFAOYSA-N 421.859 4.558 0 40 HJAB Cc1cc2oc(C(=O)Nc3nonc3-c3ccc4c(c3)CCCC4)cc(=O)c2cc1C 13653749 IZNCIVKHRUVXNP-UHFFFAOYSA-N 415.449 4.591 0 40 HJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 13685593 LBDFVVHENCDLMQ-KRWDZBQOSA-N 422.912 4.719 0 40 HJAB S=c1n(CN2CCC(c3nc4cc(Cl)ccc4s3)CC2)nc2ccccn12 14254042 HFIRUHVSCKZMPK-UHFFFAOYSA-N 415.975 4.965 0 40 HJAB O=C(Cc1csc(-c2ccccn2)n1)OCc1csc(-c2ccc(F)cc2)n1 14846147 FWWWNTBFYGFVDS-UHFFFAOYSA-N 411.483 4.754 0 40 HJAB Cc1cc(C)cc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)c1 15882853 HRTSPBJUIJHCDH-UHFFFAOYSA-N 400.400 4.785 0 40 HJAB Cc1cc(C)c([S@@](=O)Nc2ccccc2-c2nc3ccccc3[nH]c2=O)c(C)c1 16267565 LCCVQUDEYBIFOE-LJAQVGFWSA-N 403.507 4.650 0 40 HJAB C[C@]1(N2CCCCC2)[C@H](O)c2cc(Br)ccc2O[C@@H]1c1ccccc1 16577330 PDCAUFHRAKNQNX-NJYVYQBISA-N 402.332 4.861 0 40 HJAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1cc2cccc(OC)c2oc1=N 17089853 HJDPEOFYGDZGMI-UHFFFAOYSA-N 414.483 4.535 0 40 HJAB COc1ccc(Cl)cc1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 17092811 QAUACUJRVQUZQN-UHFFFAOYSA-N 421.678 4.517 0 40 HJAB Cc1ccc(CSCCNC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 18202084 QIQXKEPJLIVRJB-UHFFFAOYSA-N 424.566 4.771 0 40 HJAB CN(Cc1ccc(Cl)cc1Cl)C(=O)CCn1c(=O)oc2cc(Cl)ccc21 19204772 CZHHZPIMBSEAOC-UHFFFAOYSA-N 413.688 4.603 0 40 HJAB Cc1cc(C)n([C@H](C)CC(=O)NCCc2nc(-c3ccc(Cl)cc3)cs2)n1 19573075 DGOCLNVAENNUJW-OAHLLOKOSA-N 402.951 4.587 0 40 HJAB CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(Cl)c2)C1 19591708 QMVWYIHKQCBURU-RUZDIDTESA-N 419.956 4.583 0 40 HJAB Clc1cccc(Cn2c(Sc3nnnn3-c3ccccc3)nc3ccccc32)c1 20030716 OOMCUPKLSJARPQ-UHFFFAOYSA-N 418.913 4.865 0 40 HJAB Cc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 20044680 GWOXNUPDQUQWDR-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB COc1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1-c1ccc(CO)o1 20151214 NFCSSNDADOLTPN-UHFFFAOYSA-N 403.887 4.832 0 40 HJAB Cc1ccc(-n2ncc3c(C)nnc(SCC(=O)Nc4ccccc4F)c32)cc1C 23137740 FNXQIVHLSJFCBG-UHFFFAOYSA-N 421.501 4.611 0 40 HJAB S=c1n(CN2CCN(Cc3cccc4ccccc34)CC2)nc(C2CC2)n1C1CC1 23257017 GMVKIONWKAVTOO-UHFFFAOYSA-N 419.598 4.555 0 40 HJAB O=c1[nH]c(CN2CCc3sccc3[C@@H]2C2CC2)nc2scc(-c3ccco3)c12 24498007 BHEFIGGMYOLWJQ-IBGZPJMESA-N 409.536 4.816 0 40 HJAB O=C(Nc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccccc1 25649328 ZRPFINLUFFHIML-UHFFFAOYSA-N 421.396 4.725 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccccc3Cl)cs2)cc1 28286807 VXRCVUZBACBZDV-CQSZACIVSA-N 416.930 4.598 0 40 HJAB Cc1cc(C)cc(OCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 28288535 GKQGWWMIQSCACY-UHFFFAOYSA-N 400.931 4.818 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 28701094 ZSEMMCRQTVOPPJ-UHFFFAOYSA-N 423.469 4.633 0 40 HJAB COc1ccc(CN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)C2CC2)cc1 31705533 GNAVNEDMFKZMAU-ZDUSSCGKSA-N 422.294 4.555 0 40 HJAB S=c1n(CN(C2CCCC2)C2CC2)nc(-c2cccnc2)n1Cc1ccccc1 32923187 FMDSWJAAOXEFEK-UHFFFAOYSA-N 405.571 4.889 0 40 HJAB C[C@@H](CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 32966548 LQWJMIULSXSOJG-ZDUSSCGKSA-N 412.839 4.950 0 40 HJAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 33773662 WAXNCASSVLAMJR-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CN(C(=O)CCc1nnc(-c2ccsc2)o1)C(c1ccccc1)c1ccccc1 40050985 WPOSKNZJFYUNSW-UHFFFAOYSA-N 403.507 4.979 0 40 HJAB O=C(Nc1nc(-c2ccco2)cs1)c1cccc(CS(=O)(=O)c2ccccc2)c1 48354134 PSIYUHOODIZQCV-UHFFFAOYSA-N 424.503 4.629 0 40 HJAB O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc(COCC(F)(F)F)cc1 58440672 SDLDFZBQNXYIMG-UHFFFAOYSA-N 424.488 4.567 0 40 HJAB CCOc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)cc1 67297868 WAFWKSHGYXHPDM-LCUIJRPUSA-N 415.449 4.725 0 40 HJAB O=C(c1ccc(OCC(F)(F)F)nc1)N1CCc2sccc2[C@H]1c1cccs1 84442202 FTGFOZUUJGKELJ-KRWDZBQOSA-N 424.469 4.934 0 40 HJAB CC(C)CNC(=O)C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21 96053506 WEXYPFDKBCLEEM-LJQANCHMSA-N 412.599 4.811 0 40 HJAB N=c1c2c(ncn1CCCO)Oc1c(ccc3ccccc13)[C@@H]2c1ccccc1Cl 101366826 RSGKKKBXQMVJDT-FQEVSTJZSA-N 417.896 4.837 0 40 HJAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)Nc1cccc(Cl)c1 102529205 OXACFMMYNAROKK-UHFFFAOYSA-N 403.869 4.836 0 40 HJAB CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2ON1c1ccccc1 102735279 HKJYIXSCILEBFO-GUDVDZBRSA-N 419.308 4.862 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1 222536466 ZULQYRAGGAPUGR-HYBUGGRVSA-N 424.585 4.577 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCc1ccccc1 224158588 BHZYPWZFMHKVDM-XMMPIXPASA-N 406.570 4.794 0 40 HJAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COc1cc(C)cc(C)c1 224198155 DKTQHEPPFXSPKH-UHFFFAOYSA-N 419.477 4.550 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCSc2ccc(Cl)cc2)c(C)c1 225288606 FZNZSWWNKMDSFS-UHFFFAOYSA-N 408.976 4.904 0 40 HJAB CC1(C)C[C@H](NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)C[C@@](C)(CNC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)C1 225604446 BCUCJWQATQBQSA-WARGRKGCSA-N 414.634 4.676 0 40 HJAB Cc1ccc(C(C)C)cc1OCCNc1ncc(C(=O)O)c(CCc2ccccc2)n1 257310961 UHIRCCKFAUNBCR-UHFFFAOYSA-N 419.525 4.883 0 40 HJAB Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCCN2C 257326438 WXFMSARLAAZGNR-AVRDEDQJSA-N 401.551 4.737 0 40 HJAB O=C(CSCC(=O)Nc1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1 408601407 JREGQRIFQONVOK-UHFFFAOYSA-N 403.718 4.957 0 40 HJAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408662308 RHCBLHKJGYRMED-CSKPTYFESA-N 420.295 4.784 0 40 HJAB CC[C@@H](Oc1ccccc1)C(=O)N(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1 408714026 GUUMLJZRQPOCAA-HXUWFJFHSA-N 407.514 4.850 0 40 HJAB O=C(CNC(=O)Oc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409184491 XREYRHHJHLCOQD-UHFFFAOYSA-N 404.510 4.882 0 40 HJAB Cc1ccc([C@H](C)N(C)C(=O)CSCC(=O)N(C)[C@H](C)c2ccc(C)cc2)cc1 534520905 BOAMSAGMTMWAGM-BGYRXZFFSA-N 412.599 4.776 0 40 HJAB O=C(Cc1cc(F)cc(F)c1)N1CCC[C@]2(CCCN2Cc2cccc(F)c2)CC1 585100698 UAELQSIFZORRLI-DEOSSOPVSA-N 416.487 4.694 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1 591110200 MZZISLCLINAMBX-HSZRJFAPSA-N 416.477 4.564 0 40 HJAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1ccc(Cl)c2ccccc12 1212463586 WIKAXLOPYWEQSJ-OAQYLSRUSA-N 411.910 4.658 0 40 HJAB COc1cc(Cl)ccc1CNC(=O)N(C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 1678988112 BCFFVCCFMAWXHT-PMACEKPBSA-N 402.922 4.736 0 40 HJAB Cn1nccc1-c1ccc(CCNC(=O)NC(c2ccccc2)c2ccccc2)cc1 1889303155 NXULXXYCBFQQDP-UHFFFAOYSA-N 410.521 4.718 0 40 HJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@@H](C(C)C)OC3 1293777 WHJCYBQAHVLWIV-INIZCTEOSA-N 400.569 4.965 0 40 HJAB O=C1[C@H]2CSCN2c2ccc(C(F)(F)F)cc2N1Cc1c(F)cccc1Cl 1384524 KSYBTGKPDLNXBR-MRXNPFEDSA-N 416.827 4.924 0 40 HJAB Cc1cccc(OCCSc2nnc(-c3cccnc3)n2-c2ccccc2F)c1 2619720 FQGXRSQFWYQZJJ-UHFFFAOYSA-N 406.486 4.948 0 40 HJAB C[C@@H](OC(=O)c1ccncc1)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 2646259 ANMOENHWROGIBU-SNVBAGLBSA-N 422.293 4.696 0 40 HJAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)N[C@@H]1CCCc2ccccc21 3365053 AZMRKALMIGJPMQ-QGZVFWFLSA-N 413.593 4.949 0 40 HJAB CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@@](=O)C3)CC1 4224676 HPYTXZGWKZVYRX-QXKGYIFTSA-N 417.550 4.709 0 40 HJAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2)c1 4353917 MBOULFOTYOLIQZ-UHFFFAOYSA-N 416.433 4.955 0 40 HJAB CCCCN(C(=O)c1cccs1)c1nnc(-c2cc(OC)cc(OC)c2)s1 4881220 MYUYQKKTBPTQIO-UHFFFAOYSA-N 403.529 4.731 0 40 HJAB C[C@H]1CCCN(C(=O)CSc2nc(COc3ccccc3)nc3ccccc23)C1 4936850 JSCPGCSBTKKYBS-KRWDZBQOSA-N 407.539 4.559 0 40 HJAB O=C(/C=C\c1ccc(Cl)cc1)NCCCCNC(=O)/C=C/c1ccc(Cl)cc1 4963701 CGSDJGYNWMIMLE-MFUUIURDSA-N 417.336 4.733 0 40 HJAB O=c1c2cnn(-c3ccc(Cl)cc3)c2ncn1Cc1ccc(Cl)c(Cl)c1 5139105 LARGDUSBGBFHLZ-UHFFFAOYSA-N 405.672 4.591 0 40 HJAB CC(C)c1ccc(-n2nnnc2S[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 5562421 PAHMWGYASNKFJD-OAQYLSRUSA-N 421.570 4.632 0 40 HJAB C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(Cl)c(Cl)cc1Cl 5641314 ZNVWBEIILSUHOR-JTQLQIEISA-N 402.661 4.867 0 40 HJAB CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3C(CC)CC)cc1 6072725 HLZIIJNVFRWBEV-LJQANCHMSA-N 403.548 4.903 0 40 HJAB S=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)NC[C@H]1CCCO1 6335555 TZBOBUYUGJHYDP-CRAIPNDOSA-N 413.974 4.596 0 40 HJAB CC(C)n1nc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c2ccccc2c1=O 6587441 BWYJUAZXYWBJTJ-UHFFFAOYSA-N 413.477 4.809 0 40 HJAB Cc1cc(/C=C2/C(=O)N(C)c3ccccc32)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 6961497 UKHYUAPDSCNOBC-WOJGMQOQSA-N 406.869 4.963 0 40 HJAB CCOc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1OC 6964015 OUIBWGOZVFLUHP-WOJGMQOQSA-N 402.903 4.947 0 40 HJAB O=C(COc1ccc(Cl)c2cccnc12)Nc1ccc(Br)cc1F 7612346 HMRCKZXJLJSRKL-UHFFFAOYSA-N 409.642 4.807 0 40 HJAB CN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)[C@@H]1CCCc2ccccc21 8266628 JCBODMVJBQMAIG-HXUWFJFHSA-N 418.522 4.846 0 40 HJAB COc1cc(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)cc(OC)c1OC 8326338 ITNYGMSPYHVKQX-UHFFFAOYSA-N 418.902 4.671 0 40 HJAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc(F)cc1Cl 8515018 NJTKXZYAUROVOP-UHFFFAOYSA-N 410.832 4.647 0 40 HJAB Cc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N1CCCC[C@H]1C 12062351 TUVBHNHJIRMSHM-LJQANCHMSA-N 423.582 4.917 0 40 HJAB O=C(COc1ccc(F)c(Cl)c1)Nc1c(-c2ccccc2)nc2sccn12 12782420 REUVPUHJEBUHQN-UHFFFAOYSA-N 401.850 4.873 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)c1cccc(Cl)c1 12815287 BAZFYGDLLKWJGD-ZDUSSCGKSA-N 403.265 4.916 0 40 HJAB CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1 12924296 JAWGAGCLFKUSDS-PDGQHHTCSA-N 413.930 4.912 0 40 HJAB CCCc1noc([C@H](C)Sc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)n1 12982085 VMMBCHUEWRZMTH-JTQLQIEISA-N 416.503 4.980 0 40 HJAB COC(=O)c1c(NC(=O)[C@H](C)Oc2cccc3ccccc23)sc2c1CCCC2 13709274 ZVULPNXMFJHQAS-AWEZNQCLSA-N 409.507 4.973 0 40 HJAB CC(C)Cc1cc(-c2nnc3sc(COc4ccc5ccccc5c4)nn23)n[nH]1 13735774 MPNGRVIYACGKLJ-UHFFFAOYSA-N 404.499 4.507 0 40 HJAB COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1CC(=O)Nc1ccc(C)cc1C 13770434 ZXPIQNFUJMPRQO-RMUDUWAUSA-N 422.569 4.619 0 40 HJAB O=C(Cn1cc(C(=O)COc2ccccc2)c2ccccc21)NC1CCCCCC1 14135892 ZWKPDUVBTPACRY-UHFFFAOYSA-N 404.510 4.742 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 14155349 GLBXQFBBRFOBPU-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCNC(=O)c1cccc(NC(=O)CSC(c2ccccc2)c2ccccc2)c1 14572923 DUWWUYZOMQLDFN-UHFFFAOYSA-N 404.535 4.898 0 40 HJAB COc1ccc(NC(=O)c2cc(C3CCN(Cc4cccc(F)c4)CC3)no2)c(C)c1 19570981 GWDQNXBAXHFQRN-UHFFFAOYSA-N 423.488 4.763 0 40 HJAB Clc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)cc1 20121019 OXUFSEORVRIMTA-JOCHJYFZSA-N 407.949 4.979 0 40 HJAB Cc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1 20449427 QQJGTYSZAQJXTJ-INIZCTEOSA-N 424.497 4.526 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C3CCCCC3)c2C)cc1 22523597 IBJBTFWBODMPNX-UHFFFAOYSA-N 400.544 4.509 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 23623323 ARTUUTFMWOCTRW-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB CCCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1cccc(C)c1 23634805 OHGWEVLVTHYNHR-OAHLLOKOSA-N 405.527 4.753 0 40 HJAB COc1ccc(OCc2cc(C(=O)NCCSCc3ccsc3)c(C)o2)cc1 24192187 AOQXUGPEUPGCCX-UHFFFAOYSA-N 417.552 4.900 0 40 HJAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OC 24764601 HZFVKJITNWIPIM-MRXNPFEDSA-N 416.326 4.536 0 40 HJAB Cc1sc2nc(CN3CCOCC3)nc(N[C@H]3CCCc4ccccc43)c2c1C 25784312 DNHOPOXEEKTMJK-IBGZPJMESA-N 408.571 4.630 0 40 HJAB O=C(NCCc1ccc(F)cc1)c1ccccc1SCc1cn2ccccc2n1 28276694 ZKIYHSDIUKDDJR-UHFFFAOYSA-N 405.498 4.738 0 40 HJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccccc1Br)CC(O)=N2 32071922 KARJVBPFDPUHFT-LLVKDONJSA-N 418.682 4.510 0 40 HJAB Nc1ccc(S(=O)(=O)Nc2cccc(/C=C/c3ccc(Cl)cc3Cl)n2)cc1 32604025 YRKFZKZTNCYWFF-WEVVVXLNSA-N 420.321 4.942 0 40 HJAB CCOC(=O)c1cnn(-c2ccc(NC(=O)N3CCC[C@H]3c3ccsc3)cc2)c1C 40121382 NJJFLOLVOIRJEF-FQEVSTJZSA-N 424.526 4.788 0 40 HJAB Cc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1S(C)(=O)=O 40140425 MVZROIFYONOJKI-UHFFFAOYSA-N 422.531 4.928 0 40 HJAB C[C@H](NC(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccncc1 40141045 IINHDMIXGJNQEB-ZDUSSCGKSA-N 401.260 4.507 0 40 HJAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Cl)c1C 48375388 QJTBYPLRZLKKGS-QGZVFWFLSA-N 407.297 4.554 0 40 HJAB O=C(c1ccc(COc2ccc(F)cc2)o1)N1CC=C(c2c[nH]c3ncccc23)CC1 55553268 DSWGKOXSHIMQCG-UHFFFAOYSA-N 417.440 4.804 0 40 HJAB O=C(/C=C/c1ccc(-c2ccc(Br)cc2)s1)NCc1nccs1 65479342 DFFHFAALNDIVQN-SOFGYWHQSA-N 405.342 4.964 0 40 HJAB NC(=O)c1ccccc1Oc1ccc(NC(=O)NC2(c3ccccc3)CCC2)cc1 72313519 IQXRHRPKADKHBR-UHFFFAOYSA-N 401.466 4.779 0 40 HJAB Cc1nc(C2(NC(=O)c3cc(-c4cccc(Cl)c4)on3)CCCCCC2)no1 84280736 VGBBYIVQCATGAJ-UHFFFAOYSA-N 400.866 4.666 0 40 HJAB O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccoc1)Cc1cccs1 90612219 ARGFXXJVUNGMMB-UHFFFAOYSA-N 401.431 4.751 0 40 HJAB CC(C)CNC(=O)C[C@H]1CC2(CCN(C(=O)CC(C)(C)C)CC2)Oc2ccccc21 96243362 ANAVULVTMJYTGO-IBGZPJMESA-N 414.590 4.512 0 40 HJAB O=C1Oc2ccccc2[C@H]2c3sc(=O)[nH]c3S[C@H](c3ccc(Cl)cc3)[C@H]12 96306212 IPSHIDQQUQICMR-RBSFLKMASA-N 401.896 4.604 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccccc3C(=O)Nc3cccc(Cl)c3C)C(=O)[C@H]12 102531279 MZBQXBFKILEUNT-LJQHDNKASA-N 420.896 4.602 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 223034386 GUQUCAOMEVPQBG-QGZVFWFLSA-N 420.296 4.826 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 223299023 NYBJEUODQRQMFK-HSZRJFAPSA-N 424.585 4.713 0 40 HJAB Fc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccco1 223355820 HNDBXFJFGSKZDV-YADHBBJMSA-N 418.497 4.777 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 223589648 FNFBMKBTDHKTKA-FQEVSTJZSA-N 402.538 4.634 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 223794233 FWZGBWUCYLJUFI-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1c(F)cccc1Cl)[C@@H](C)C(=O)NCC(C)C 224142405 GZOLYYJYBGEVLO-KRWDZBQOSA-N 418.940 4.520 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 224309387 HVNWNGLHZJARPA-KRWDZBQOSA-N 418.940 4.601 0 40 HJAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1ccccc1C 224377832 IAPBWMHIQVTPFN-UHFFFAOYSA-N 405.494 4.911 0 40 HJAB O=C(NC[C@@H]1COc2ccccc2O1)/C(=C/c1ccccc1Cl)c1ccccc1 225237734 JXHARDJPIUUYJC-YFQSIASUSA-N 405.881 4.837 0 40 HJAB C[C@H](NC(=S)Nc1nc(N2CCCCC2)cc(C(F)(F)F)n1)c1ccccc1 225963406 SMJNKMLKZKTPCB-ZDUSSCGKSA-N 409.481 4.533 0 40 HJAB COC(=O)CC[C@H](C)[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[C@@]12C 253609723 BWDRDVHYVJQWBO-WSYZYPMWSA-N 406.607 4.566 0 40 HJAB Cc1cc(C)cc(-c2cccc(CC3(C(=O)N[C@H]4CCCN(C)C4)CCOCC3)c2)c1 257202996 AOESKDGMSPQFTI-VWLOTQADSA-N 420.597 4.520 0 40 HJAB O=C(COc1ccccc1Cl)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257241843 HZWABZLVAMKROQ-LJQANCHMSA-N 414.864 4.800 0 40 HJAB Cc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)c2c(C)noc2n1 257282899 OVURFOIYIHEXEJ-FQEVSTJZSA-N 416.481 4.786 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(N(C)C)cc3)N21 260755946 CKSCOSJHZYSXLO-ZQMYSKGWSA-N 417.582 4.918 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1NC(=O)c1ccccc1C 408557163 LQXVRTYODHRLLC-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB Cc1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1NC(=O)c1ccc(Cl)cc1 408623691 PLRGYLQLOJEWNG-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Cc1ccc(CSCc2nnc(SCC(=O)Nc3ccccc3C)n2C)cc1 409359322 ISPBTYMWFWQHNZ-UHFFFAOYSA-N 412.584 4.596 0 40 HJAB Cc1ccc(NC(=O)C[C@@H](C)NCCc2nc(-c3ccncc3)cs2)cc1Cl 537973168 XCGRTLYMXFENCQ-OAHLLOKOSA-N 414.962 4.716 0 40 HJAB Cc1cc(Nc2nc(C)cs2)nc([C@H]2CCCCN2C(=O)/C=C/c2ccco2)n1 585291723 FIIRNESTFWHFGN-KBOKABMXSA-N 409.515 4.654 0 40 HJAB O=C(c1[nH]c2ccc(Br)cc2c1Cl)N1CCc2cccc(F)c2C1 1556067135 MNIFBKTUIWQLBR-UHFFFAOYSA-N 407.670 4.921 0 40 HJAB CC1(C)C(c2cc(NC(=O)Nc3nnc(Cc4ccc(F)cc4)s3)n[nH]2)C1(C)C 1623064278 HISVTEIZNPUKPE-UHFFFAOYSA-N 414.510 4.785 0 40 HJAB CC1=Nc2ccccc2C1=CC=C1Sc2ccccc2N1CCCS(=O)(=O)O 2038375685 WAHAEPAEUPBHCX-UHFFFAOYSA-N 412.536 4.908 0 40 HJAB COc1ccc(CNc2c3c(nc4cc(-c5cccc(F)c5)nn24)CCC3)c(OC)c1 1341004 FGFPXABIQCGZKL-UHFFFAOYSA-N 418.472 4.653 0 40 HJAB CSc1nc2ccc3nc(NC(=O)c4ccc5c(c4)OCCO5)sc3c2s1 2483665 ZSGVXUXWPUVFHK-UHFFFAOYSA-N 415.521 4.651 0 40 HJAB O=C(Nc1nnn[nH]1)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12 3242568 XOXKQROZMYFZQM-UHFFFAOYSA-N 419.659 4.627 0 40 HJAB CN(C(=O)COC(=O)CSc1ccc(Cl)c(Cl)c1Cl)c1ccccc1 3265822 YHLUAJNHGVHFJM-UHFFFAOYSA-N 418.729 4.945 0 40 HJAB COc1cc(/C=C2/N=C(c3ccc(C(F)(F)F)cc3)OC2=O)ccc1OC(F)F 3326996 VYEFZVZDJVVCJI-MDWZMJQESA-N 413.298 4.660 0 40 HJAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCc4ccccc43)n2C(C)C)cc1 3544865 GLWNZLXLASNKQP-INIZCTEOSA-N 422.554 4.605 0 40 HJAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccccc3Br)n2)c1 3559298 UCXUGKFLFMVJII-UHFFFAOYSA-N 419.300 4.842 0 40 HJAB CC1(C)Cc2nc3sc4c(=O)n(Cc5ccccc5Cl)cnc4c3cc2CO1 4694743 YHCUXQURDCVPRG-UHFFFAOYSA-N 411.914 4.559 0 40 HJAB CC1=NN(c2ccccc2)[C@@H]2O[C@]3(C)C[C@@](C)(Oc4c3c(C)nn4-c3ccccc3)[C@@H]12 5323081 IEIBUZSTLRNBJL-CLOIUZTFSA-N 414.509 4.806 0 40 HJAB COc1ccc([C@@H]2c3cc4c(cc3O[C@H](NNc3ccccc3)[C@H]2C)OCO4)cc1 5956694 WFBVRMMXMLCJRR-XXEARWCOSA-N 404.466 4.527 0 40 HJAB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2Cl)CC1 6245830 SYTJCFYHSWOTMA-UHFFFAOYSA-N 413.949 4.774 0 40 HJAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccnn3C3CCCC3)s2)c1 8025355 SLYUYLHYMGJJIJ-UHFFFAOYSA-N 414.560 4.633 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccccc2F)sc2c1CCCC2 8495420 YMOARZQSAQCCFN-OAHLLOKOSA-N 405.491 4.739 0 40 HJAB Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCC(=O)Nc2ccccc2)c1 8571292 UVXICWMORLHNTC-ZHZULCJRSA-N 411.461 4.558 0 40 HJAB Cc1ccccc1NC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 8990357 ALFUPHBMYWSGKR-UHFFFAOYSA-N 414.505 4.934 0 40 HJAB CCOc1cccc2cc(-c3csc(NC(=O)[C@@H]4COc5ccccc5O4)n3)oc12 10750247 GEQYEUNBEPGHBL-IBGZPJMESA-N 422.462 4.734 0 40 HJAB CCCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(O)c(OC)c1)CC3=O 12296521 POMHTPFXPZXWPY-GOSISDBHSA-N 408.450 4.865 0 40 HJAB biogenic COc1ccc(-n2c(SCc3cccnc3)nc3ccccc3c2=O)cc1Cl 12538676 FPTZNOGYZYRBLF-UHFFFAOYSA-N 409.898 4.735 0 40 HJAB CN(C)c1ccc(-c2noc(-c3cc4cc(C(C)(C)C)cc(O)c4oc3=O)n2)cc1 12540131 FSDVGOLYMVNCJB-UHFFFAOYSA-N 405.454 4.579 0 40 HJAB COCCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(Cl)cc1 12982490 HNIMGIDBQPUHSK-LBPRGKRZSA-N 407.927 4.605 0 40 HJAB Cc1ccc(-c2nc(CC(=O)NC[C@H](c3cccc(F)c3)N(C)C)cs2)c(C)c1 13009211 RLZSRTMIWBVGPV-OAQYLSRUSA-N 411.546 4.528 0 40 HJAB O=C(CCc1nnc(-c2ccsc2)o1)N1CCc2sccc2[C@H]1c1ccccc1 13014579 FSSUTWYBSFKPCQ-OAQYLSRUSA-N 421.547 4.967 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccccc1SCC(=O)NCc1ccco1 13042333 FIJCUBGXJLZXCW-UHFFFAOYSA-N 408.523 4.811 0 40 HJAB CCS(=O)(=O)N1N=C(c2cccs2)C[C@H]1c1cc2cc(C)ccc2nc1Cl 13138858 NKIFKOWGUMLJRW-KRWDZBQOSA-N 419.959 4.759 0 40 HJAB Cc1ccc(C)c(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 15391061 NTNFQIBHHRVRDY-SFHVURJKSA-N 420.962 4.529 0 40 HJAB Cc1c(-c2cc(C(=O)Nc3ccc4c(c3)nc(C)n4C3CCCCC3)no2)cnn1C 19554153 QUPCHHNRBRJHTQ-UHFFFAOYSA-N 418.501 4.799 0 40 HJAB Cc1ccc2[nH]c(-c3cccc(NC(=O)c4cccc(CN5CCCC5=O)c4)c3)nc2c1 19660464 WBWCCGQCBSKUJP-UHFFFAOYSA-N 424.504 4.913 0 40 HJAB COc1ccc(CN2CCC([C@@H]3CC=CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1 19698355 LCYRKAUYLMMQPR-VWLOTQADSA-N 422.544 4.651 0 40 HJAB NC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2ccccc2Cl)CC1 19700334 KAYLYNDAPULZBT-UHFFFAOYSA-N 419.956 4.712 0 40 HJAB Cc1cccc(OCc2nc3ccccc3n2C[C@@H](O)COc2cc(C)ccc2C)c1 21659910 AMTQGMHXYBZYOG-OAQYLSRUSA-N 416.521 4.980 0 40 HJAB COc1ccc(OC)c([C@H](C)NC(=O)CSCc2ccc(Br)cc2)c1 24936961 VHNQKOAFMHJYJK-ZDUSSCGKSA-N 424.360 4.577 0 40 HJAB Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cccc(C(F)(F)F)c2)cc1 26963783 KRRSUXJGUUZZNE-IBGZPJMESA-N 402.372 4.658 0 40 HJAB O=C(CSCc1csc(-c2ccco2)n1)Nc1ccc2c(c1)OC(F)(F)O2 31420661 TYRWRAAKODKKCP-UHFFFAOYSA-N 410.423 4.597 0 40 HJAB Cc1ccc(-n2c(SCc3noc(C(C)(C)C)n3)nnc2-c2ccncc2)cc1 31789420 ZSLQUCSLQWQLAN-UHFFFAOYSA-N 406.515 4.611 0 40 HJAB O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1cc2ccccc2oc1=O 32593899 CDYKIGWMXUQPRT-UHFFFAOYSA-N 409.401 4.762 0 40 HJAB Cc1nc(CSc2ccccc2C(=O)N(C)Cc2nc3ccccc3s2)no1 40050166 DIEBMILMIBSSLC-UHFFFAOYSA-N 410.524 4.552 0 40 HJAB Cc1cc(NC(N)=S)cc(C)c1NC(=O)c1cc(Br)ccc1Cl 45890586 CKZWBVRVPKUHRB-UHFFFAOYSA-N 412.740 4.627 0 40 HJAB Cc1cccc(N(C)C(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)c1 57486699 XMHPOSJCTPSURD-UHFFFAOYSA-N 406.873 4.830 0 40 HJAB Cc1cccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccccc2Cl)c1 59502341 YETLZNWWJFRDEG-UHFFFAOYSA-N 404.853 4.549 0 40 HJAB Cc1ccc(C(=O)N2CCC([C@H]3CC(=O)c4ccccc4O3)CC2)cc1-n1cccc1 72336672 AFOYKDKVYFHFMB-RUZDIDTESA-N 414.505 4.672 0 40 HJAB O=C1[C@H](C(=O)N2CCC[C@@H]2c2cccs2)CCN1c1ccc(Cl)c(Cl)c1 89799965 XUYXTOPJCSQAJQ-CZUORRHYSA-N 409.338 4.772 0 40 HJAB O=C(c1cc(-c2ccccc2)no1)N(CC(F)(F)F)[C@@H]1CCCc2cccnc21 95462408 KOOSHVRTZARRTD-QGZVFWFLSA-N 401.388 4.819 0 40 HJAB O=C(Nc1nnc(Cc2cccc(Br)c2)s1)c1cccc(Cl)c1 98086580 IPRHAJCIPPXNRT-UHFFFAOYSA-N 408.708 4.797 0 40 HJAB CCOc1ccc(N/C=C2\C(=O)N(c3ccccc3OC)C(=O)c3ccccc32)cc1 101264168 PMIKULDBGLBJQN-PGMHBOJBSA-N 414.461 4.734 0 40 HJAB COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 108251798 AGQMDBDUAGMYDE-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 223592779 XOEKUBYNSOVFBN-QHCPKHFHSA-N 410.558 4.569 0 40 HJAB Cc1cc(C(=O)NC2CCCCC2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224214340 VVPKNHIISRLTCQ-UHFFFAOYSA-N 420.962 4.536 0 40 HJAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 224391906 GHXUMOPQFCWOSF-FGZHOGPDSA-N 415.497 4.584 0 40 HJAB Cc1cccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224707349 ZYRXZPYRYPMWHO-NRFANRHFSA-N 406.570 4.794 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1F 225035028 TYUXVXTUCKWPFU-HSZRJFAPSA-N 410.533 4.625 0 40 HJAB O=C(O)[C@H](Cc1ccc(I)cc1)Oc1ccc2ccccc2c1 225069137 WGDMMCWMRMWYGC-SFHVURJKSA-N 418.230 4.519 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(O[C@H]2CCSC2)nc1 225714250 BGABQZNQYFTTHM-LBPRGKRZSA-N 402.825 4.890 0 40 HJAB CCOC(=O)c1cc(NC(=O)C2(OCC)CCC(C)CC2)ccc1O[C@@H](C)CC 225834553 KZCSUKVZCHYTNN-BNGSBABLSA-N 405.535 4.965 0 40 HJAB S=C(Nc1nc(Oc2ccccc2)cc(N2CCCC2)n1)NC1CCCCCC1 226009883 QDEBBCTVERDRBI-UHFFFAOYSA-N 411.575 4.878 0 40 HJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 408702087 BRTDLBBQGUQNCZ-JOCHJYFZSA-N 410.514 4.508 0 40 HJAB C[C@]1(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccccc4)o3)c2)C[C@H]2C=C[C@H]1C2 408710475 OGRLXURXYSHSNU-RGUAHJAXSA-N 414.465 4.530 0 40 HJAB Cc1ccc(OCc2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)cc1 409205834 GDGWTUWHADFOKE-UHFFFAOYSA-N 405.310 4.830 0 40 HJAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCCCCCN(C)C)c1O)OC2(C)C 409412936 LBHFMWXENPEIAQ-MISYRCLQSA-N 416.606 4.935 0 40 HJAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)n2)n1 585292500 NRGDFQLSMXMZQN-ARKBFRDHSA-N 413.525 4.651 0 40 HJAB Cn1c(C(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@@H]32)cc2cc(Cl)ccc21 604405224 NWMOKYQHWWBYCK-UNBWHIKDSA-N 423.988 4.867 0 40 HJAB biogenic Cc1sc2nc(C(F)(F)F)nc(NCC(C)(C)N3C[C@@H](C)O[C@H](C)C3)c2c1C 1615566484 BQWDHMIXVIQLFP-GHMZBOCLSA-N 416.513 4.627 0 40 HJAB CN(C)c1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 646551 KCKJRQJJSBPZAL-UHFFFAOYSA-N 422.432 4.552 0 40 HJAB COc1ccc(-c2c(OC(=O)COc3ccc(C)cc3)ccc3oc(=O)sc23)cc1 1462099 VJUUIPXZJUEHGU-UHFFFAOYSA-N 422.458 4.823 0 40 HJAB Cc1ccc(C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C(=O)OC(C)C)cc1 2739987 PXLUXTGRHSIMBF-UHFFFAOYSA-N 403.500 4.748 0 40 HJAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 2767825 OENBRSLSVSGSTI-HZPDHXFCSA-N 415.511 4.648 0 40 HJAB COCCCn1c(C)cc(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c1C 3348446 LEZWDVHSOUMTGX-UHFFFAOYSA-N 422.312 4.653 0 40 HJAB COc1ccc2c(c1)CCc1c(C(=O)Nc3ccc(OC(F)(F)F)cc3)noc1-2 4881382 BTYLGRYOOAEOJJ-UHFFFAOYSA-N 404.344 4.600 0 40 HJAB O=C(CCc1ccccc1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCO3 5142240 JYFGOHZIRSMUEK-UHFFFAOYSA-N 417.490 4.586 0 40 HJAB Cc1ccc(CNC(=O)c2cnc3c(c(C)nn3-c3ccc(F)cc3)c2Cl)cc1 5313906 GHHQQDIOOPRNTF-UHFFFAOYSA-N 408.864 4.760 0 40 HJAB CC[C@@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2cc(OC)ccc2OC)n1 6003193 CHAKRYQENMOYCY-CQSZACIVSA-N 403.482 4.929 0 40 HJAB biogenic COc1ccc(-c2c(NC(=O)C3CCCCC3)n(C)c3ccccc3c2=O)cc1OC 6804501 JCHIKZMYZVPQDK-UHFFFAOYSA-N 420.509 4.742 0 40 HJAB CC1(C)[C@@H](C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CC[C@]1(C)C(=O)O 6829068 MHORALJDMGGTAR-BMLIUANNSA-N 416.421 4.661 0 40 HJAB CCc1cccc(CC)c1-n1c(SCC(=O)c2ccc[nH]2)nnc1-c1cccnc1 6831605 XREYTEASZRSMHZ-UHFFFAOYSA-N 417.538 4.757 0 40 HJAB Cc1ccccc1N1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2S1(=O)=O 7615809 ZBMCZXNDXPFFJW-UHFFFAOYSA-N 412.898 4.984 0 40 HJAB CC(C)n1ncc2c(C(=O)NCCCn3ccc4ccccc43)cc(C3CC3)nc21 8191005 JPXCRIRRCFPRCY-UHFFFAOYSA-N 401.514 4.664 0 40 HJAB CC(C)CN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1Br 9266391 PJIIPBMVJUZBPW-UHFFFAOYSA-N 413.315 4.589 0 40 HJAB COc1cccc(CN2C(=O)N(c3cc(C)cc(C)c3)S(=O)(=O)c3ccccc32)c1 9663669 UHJJRKBPAZWTGO-UHFFFAOYSA-N 422.506 4.648 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c(C)c1 9757884 GXRBYFXTZXFLBN-QFIPXVFZSA-N 413.949 4.996 0 40 HJAB COc1ccc(C2=NN3[C@H](c4ccc(OC)cc4)Oc4c(OC)cccc4[C@H]3C2)cc1 12193360 QSAUBTCGSFZJBA-RDGATRHJSA-N 416.477 4.955 0 40 HJAB Cc1cc(C)cc(-c2ccccc2CC2(C(=O)NC[C@@H]3CCCOC3)CCOCC2)c1 12231659 RHNVXIXZUOZSKM-QFIPXVFZSA-N 421.581 4.853 0 40 HJAB Cc1ccc(-c2csc3ncn(CCC(=O)N[C@@H](C)c4ccccc4)c(=O)c23)cc1 12772489 MHGCYANALJGSTR-KRWDZBQOSA-N 417.534 4.701 0 40 HJAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)/C=C/c1cccc2cccnc12 12806660 BOAIXDOFGIEEOH-JXMROGBWSA-N 414.292 4.652 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)COc1cc(Cl)ccc1Cl 12814593 IFFLSTOVGHWAHG-UHFFFAOYSA-N 418.324 4.833 0 40 HJAB CC[C@H](C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1c(Cl)cccc1Cl 13096281 RLRDNWIIOMWTAS-ZDUSSCGKSA-N 418.324 4.600 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Oc2cccc3ccccc23)CC1 13709252 RMSDDDIFWPOSEH-GOSISDBHSA-N 408.929 4.918 0 40 HJAB COc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)c3cccc(C)c3)c3ncnn32)cc1 13838997 JAOXREPSAXXEDK-DNQXCXABSA-N 424.504 4.976 0 40 HJAB Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)CC(C)C)CC2)cc1 14291187 DKLFVBCJYTZAEY-UHFFFAOYSA-N 413.949 4.595 0 40 HJAB Cc1cccc(-c2ccccc2C[C@]2(C(=O)NC(C)C)CCN(C(=O)C(C)C)C2)c1 19235443 RHIWQHNRDQDTDG-AREMUKBSSA-N 406.570 4.604 0 40 HJAB CN(C)CCn1cc(CN[C@@H](Cc2ccsc2)c2nccs2)c2ccccc21 19583314 ZMPXSUHXLXBOOY-FQEVSTJZSA-N 410.612 4.795 0 40 HJAB COc1cccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 20105412 PIGSFLKBNLYMPO-ZDUSSCGKSA-N 414.354 4.819 0 40 HJAB COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1-c1ccc(CO)o1 20143984 FLJZQGSHVJURPL-UHFFFAOYSA-N 409.482 4.763 0 40 HJAB CC(C)CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2C2CCCCC2)c2ccccc21 20636594 IPLDCDPOZQGWDL-VWLOTQADSA-N 403.526 4.743 0 40 HJAB COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(C(C)C)cc2)C4)cc1 20671754 KQUMXJCUMSBSRK-IBGZPJMESA-N 412.493 4.836 0 40 HJAB O=C(c1cc2c(F)cccc2s1)N1CCN(Cc2nc3ccccc3s2)CC1 23968046 GULRJTAVLYBRKN-UHFFFAOYSA-N 411.527 4.608 0 40 HJAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Oc1ccc(F)c2c1C(=O)C[C@H]2C 24222276 OLWGLUQROPMFCU-CYBMUJFWSA-N 423.488 4.996 0 40 HJAB Cc1cc(Br)ccc1NC(=O)c1nc2ccccc2nc1N1CCCC1 32642878 MHGUBJXUSXNQPB-UHFFFAOYSA-N 411.303 4.553 0 40 HJAB COc1ccc2cc([C@H](C)C(=O)N[C@@H](c3ccc(F)cc3)c3nccn3C)ccc2c1 32830708 FBUADDGIKLEDFL-HJPURHCSSA-N 417.484 4.730 0 40 HJAB O=C(NCc1ccc(Cl)cc1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 33170745 QSFKWMFUVZZFMO-UHFFFAOYSA-N 422.916 4.843 0 40 HJAB COc1ccc2cc(-c3nc4ccc(Cl)cn4c3NCc3ccco3)c(=O)[nH]c2c1 35288988 BKSLKEJSTQBIBU-UHFFFAOYSA-N 420.856 4.710 0 40 HJAB C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@H](C(F)(F)F)C1 35600912 UTSWMUVKQRJNRT-WMZOPIPTSA-N 406.448 4.867 0 40 HJAB COc1ccc(CN(C(=O)c2ccc(COc3ccccc3OC)o2)C2CC2)cc1 40131354 NPFBOSAUGOYUTL-UHFFFAOYSA-N 407.466 4.681 0 40 HJAB CCc1ccc(-c2nn(CN(C)Cc3ccc(Br)o3)c(=S)[nH]2)cc1 48340420 CPAJGMRTHCQAOO-UHFFFAOYSA-N 407.337 4.615 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)Nc3cc(OC)c(Cl)cc3OC)o2)cc1 63898531 YAFXOZJHFMOFLB-UHFFFAOYSA-N 416.861 4.592 0 40 HJAB Cc1cc(Cl)ccc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 67293372 HDLITTCURMLEDC-LVWGJNHUSA-N 405.841 4.980 0 40 HJAB O=C(c1ccccc1)N1CCCCC[C@@H]1C1CCN(c2cnc3ccccc3n2)CC1 69968857 FCTMFMVARXMRBB-XMMPIXPASA-N 414.553 4.931 0 40 HJAB C[C@H](NC(=O)C(C)(C)c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)cs1 78655407 XEMNUBJSBMALSC-HNNXBMFYSA-N 408.523 4.736 0 40 HJAB O=C(CSCc1ccc(Cl)s1)N1CCC(CCCN2CCCC2)CC1 84445305 VWBYXIJLJYWAMJ-UHFFFAOYSA-N 401.041 4.749 0 40 HJAB CC[C@@H](NC(=O)c1cnc(-c2ccccc2)s1)[C@@H](c1ccc(C)cc1)n1cncn1 89941943 WJKZLWVLLLYYAT-TZIWHRDSSA-N 417.538 4.508 0 40 HJAB COc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(SC)cc5)no4)c3CO2)cc1 97077857 OKALSGUDCVULAX-IBGZPJMESA-N 420.494 4.602 0 40 HJAB CN1CCN(c2ccc(Cl)cc2NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)CC1 102329067 JCFKDKSBZRFALD-KILAXVPQSA-N 422.400 4.608 0 40 HJAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4cc(F)cc(F)c4)C3=C(O)C2)cc1 102699446 BUFYLCGNQBHVOI-ZSEKCTLFSA-N 408.408 4.630 0 40 HJAB CCN1CCC[C@@H]1CN1CC(O)=C(c2nc(-c3ccc(Cl)cc3)cs2)C1=N 102718512 PJODBFCKHIRUQA-OAHLLOKOSA-N 402.951 4.510 0 40 HJAB COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1CC(=O)Nc1ccc(C)cc1C 102749314 ZXPIQNFUJMPRQO-QGDZQMKYSA-N 422.569 4.619 0 40 HJAB COc1ccccc1[C@@H]1Nc2nonc2N=C2C[C@H](c3ccc(F)cc3)CC(O)=C21 102839052 JOYAOJMRORJKQS-RBZFPXEDSA-N 406.417 4.846 0 40 HJAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@@H](O)[C@@]43C)N2C1 118915636 AANKDJLVHZQCFG-IAGDTALCSA-N 413.646 4.626 0 40 HJAB in-vitro CCCC[Sn](CCCC)(CCCN(C)C)CCCN(C)C 195752065 NHGDSUKXHITQEE-UHFFFAOYSA-N 405.259 4.939 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1c(F)cccc1Cl)[C@@H](C)C(=O)NC(C)(C)C 222711374 DNTDVBBEIMPLSO-INIZCTEOSA-N 418.940 4.662 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)O)o1 222982443 RLBYFUTVLUVFSA-RTWAWAEBSA-N 421.522 4.812 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1Cc1ccncc1 223505488 NOVDZJSIBMKIEO-GOTSBHOMSA-N 417.582 4.956 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 223688458 KXCJFVNKYUHGOZ-DEOSSOPVSA-N 408.586 4.878 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 223690711 GZXSMSXGFSKILT-QHCPKHFHSA-N 424.585 4.714 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 223817901 KNPGMEGYKVLTNH-NRFANRHFSA-N 418.940 4.745 0 40 HJAB Cc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 224166566 VVPXLRYUOIVAJF-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 224515792 GOXRVPJBPAGUKN-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB COc1cccc(C(=O)NCCSCc2c(Cl)cccc2Cl)c1OC 225043648 AQYBZDCTWDYROB-UHFFFAOYSA-N 400.327 4.674 0 40 HJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1F 225457251 HWQRGNYLVGNMHC-CYBMUJFWSA-N 408.926 4.879 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)cc1 225534481 CZDKDRSHHDXKMB-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)N[C@@H](C)CC)cc1 225547247 LBZXXTWLPAVTSG-RDPSFJRHSA-N 424.585 4.658 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225680121 MULBVOAPDZLBST-NRFANRHFSA-N 400.478 4.704 0 40 HJAB S=C(NCc1nc(-c2ccccc2Cl)no1)Nc1cccc(Br)c1 225818599 SKOUYMGVKSHAQH-UHFFFAOYSA-N 423.723 4.639 0 40 HJAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(-n5ccnc5C)cc4)OCC[C@@]31C2 257298284 RLAZNLPXGRKXCW-VSCLMIGZSA-N 421.585 4.979 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)c1 408673961 WNDQLVKBMNMXBJ-LXGCGDOSSA-N 408.885 4.602 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3)cc2)c1 408705748 MSGGCNAORDLZCO-SFHVURJKSA-N 424.522 4.510 0 40 HJAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O 409231002 ARWUFUYTMFRYNT-KGENOOAVSA-N 416.477 4.730 0 40 HJAB CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cc2cc(Cl)ccc2o1 409332837 RQABQUUIXWAONK-UHFFFAOYSA-N 419.919 4.552 0 40 HJAB O=C1S/C(=C/c2cc3ccccc3oc2=O)C(=O)N1Cc1c(F)cccc1Cl 409364209 WALHGPRPLPGOIF-RQZCQDPDSA-N 415.829 4.822 0 40 HJAB C[C@H](NC(=O)c1cccc(Oc2cnccn2)c1)c1ccc(Oc2cccnc2)cc1 570843691 SKDZQCYUAOINHA-KRWDZBQOSA-N 412.449 4.947 0 40 HJAB CC(C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 674854 FYVPFNWDTUUMHG-GXTWGEPZSA-N 421.250 4.988 0 40 HJAB CC(=C/c1ccccc1)/C=C1/N=C(c2ccc(I)cc2)OC1=O 829654 QPSCKAGGJVQUIY-RTNVFWHRSA-N 415.230 4.582 0 40 HJAB CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1cccnc1 900167 WTUZKECCLMBZOP-UHFFFAOYSA-N 415.522 4.817 0 40 HJAB CC1=NN(C(=O)CSCc2ccccc2Cl)[C@](O)(c2ccc(Cl)cc2)C1 1101665 KODHTWDQGFOBRI-LJQANCHMSA-N 409.338 4.680 0 40 HJAB O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)NC1CCCCC1 1332728 SXVAFKNEIKYZQQ-UHFFFAOYSA-N 401.601 4.989 0 40 HJAB Cc1cc(C(F)(F)F)n(-c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)cs2)n1 1390628 NYQPVOLDBFCOME-UHFFFAOYSA-N 420.338 4.927 0 40 HJAB CCCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1 1770115 COCYJEGPBPZQEY-OAHLLOKOSA-N 412.438 4.705 0 40 HJAB biogenic CCc1ccc(NC(=O)Cn2nc(-c3ccccc3)cc(-c3ccccc3)c2=O)cc1 2240410 QULKFSVWWMSYRQ-UHFFFAOYSA-N 409.489 4.778 0 40 HJAB CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@](=O)C3)CC1 2456791 HPYTXZGWKZVYRX-KUHNRFIWSA-N 417.550 4.709 0 40 HJAB FC(F)Oc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2ncnn21 2918023 SZXKPFSKBAPSFR-LSDHHAIUSA-N 421.245 4.788 0 40 HJAB COc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 3176373 UFMMAGYTQYHPLB-XMMPIXPASA-N 418.518 4.722 0 40 HJAB CN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 3240009 SCQJTVXXENCFDQ-UHFFFAOYSA-N 420.563 4.747 0 40 HJAB CCCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(OCC)ccc21 4193330 DQAGSXUHFQMXTH-UHFFFAOYSA-N 419.930 4.687 0 40 HJAB Cc1csc(SCC(=O)Nc2nc3ccc(Br)cc3s2)n1 4668916 ADSNNBQQZZRHMH-UHFFFAOYSA-N 400.348 4.555 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1C 4677852 CQJHOTOHIPMENX-UHFFFAOYSA-N 413.521 4.518 0 40 HJAB Clc1ccc(/N=c2\scc(-c3cccs3)n2CCCN2CCOCC2)cc1 4940152 QPRWAXKWBXBNLY-XDOYNYLZSA-N 420.003 4.886 0 40 HJAB C[C@H]1Cc2ccccc2N1Cc1cc(=O)c(OCC(=O)c2ccc(Cl)cc2)co1 5184533 WHCSTFZJJKMYCN-HNNXBMFYSA-N 409.869 4.506 0 40 HJAB CCOc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(OC)c(OC)c2)cc1 5256218 LCIMZPZYOMTPTH-QHCPKHFHSA-N 421.497 4.541 0 40 HJAB C[C@H](NC(=O)COc1ccccc1)c1nc2ccccc2n1Cc1ccccc1Cl 5545777 BZVAAUQALCZYEC-KRWDZBQOSA-N 419.912 4.994 0 40 HJAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccco3)n2C)c2ccccc2)cc1 5862145 UYJGYEDZUJIDAI-IBGZPJMESA-N 404.495 4.856 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(C)cc2C)NC(=O)N1 6046505 GDNPBIHWFVLXNL-GOSISDBHSA-N 403.404 4.589 0 40 HJAB CCc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 6451187 UYSBUPZFPJRZLW-HSZRJFAPSA-N 406.507 4.869 0 40 HJAB Cc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)c1 6614253 LRTKZVKDTUKFNA-UHFFFAOYSA-N 413.521 4.518 0 40 HJAB O=C(Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21)c1ccc2ccccc2c1 6719658 GFSWGHIHVQBUOE-UHFFFAOYSA-N 412.489 4.705 0 40 HJAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Br)cc2)o1 6747393 VMFYUWSHPPENRQ-UHFFFAOYSA-N 404.260 4.551 0 40 HJAB CCCOc1ccc(CN(CCC)C(=S)NCCc2ccccc2)cc1OC 6871536 JAIOOIHAFPAFGO-UHFFFAOYSA-N 400.588 4.813 0 40 HJAB CCOc1cc(C[C@H]2SC(=O)N(CC(C)C)C2=O)ccc1OCc1ccccc1 6961542 BXHNJKWFXLZDLS-OAQYLSRUSA-N 413.539 4.927 0 40 HJAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)c1ccccc1 7087741 HSVMCYDSRNIJSE-GOSISDBHSA-N 414.962 4.837 0 40 HJAB Cc1ccc(C)c2sc(NC(=O)c3ccccc3I)nc12 7349042 CSOWABXSOWMWAM-UHFFFAOYSA-N 408.264 4.770 0 40 HJAB CN1CCN(c2ccccc2NC(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 7735240 OCWIKALLJHIDQY-XMMPIXPASA-N 417.578 4.911 0 40 HJAB CCOc1cc(/C=C(\Cl)c2nc3ccccc3o2)ccc1O[C@@H](C)C(=O)N(C)C 7914587 LNWHCFZGWWBTLV-QXPQOBGOSA-N 414.889 4.819 0 40 HJAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCC[C@@H](c2nc3ccccc3s2)C1 8103490 JRXMGOQVUHDIDP-SXAWMYDMSA-N 420.534 4.877 0 40 HJAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N(c1ccccc1)C1CCCCC1 8132055 ABBFCMJAFJHPAY-UHFFFAOYSA-N 420.582 4.864 0 40 HJAB CCCCN1C(=O)c2cccc3c(NC(=O)Cc4ccc5c(c4)OCO5)ccc1c23 9521497 BTLGZQIQPBFCMR-UHFFFAOYSA-N 402.450 4.510 0 40 HJAB Cc1cc(C(=O)Nc2ccccc2Cl)ccc1NS(=O)(=O)c1ccccc1 10314408 MBPGUGCNEVMKPK-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB O=C(Nc1ccc2ccccc2c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 10314848 UBUJPCACLBBGHX-UHFFFAOYSA-N 402.475 4.893 0 40 HJAB CCCC(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)CC1 12182513 GLEUPACPBAYCBZ-JKSUJKDBSA-N 400.489 4.723 0 40 HJAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc(Br)cc1 12700248 ZJWYZLAMRURVHF-UHFFFAOYSA-N 414.328 4.882 0 40 HJAB CN(Cn1nc(-c2ccccc2)[nH]c1=S)[C@H](c1ccc(Cl)cc1)c1nccn1C 12740035 QCUHGTBMSMYNEU-GOSISDBHSA-N 424.961 4.673 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2C)c1 13670282 BHTQUMPTYWFFBE-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CNCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 16189384 HTEJDVAPTLEUOD-UHFFFAOYSA-N 417.764 4.934 0 40 HJAB CCc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4F)nccn3n2)cc1 16841627 MDBBKAKDQFOBAJ-UHFFFAOYSA-N 406.486 4.829 0 40 HJAB Cc1cc(OCC(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)ccc1Cl 17094132 HPOGLXROOWYXPN-UHFFFAOYSA-N 424.863 4.847 0 40 HJAB Cc1cc([C@H]2CCCCCN2C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)on1 19120195 MNZZHWHFORBBHH-MRXNPFEDSA-N 415.444 4.598 0 40 HJAB O=C(c1ccco1)N1CCC(c2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 19373973 CZVDJXJELOCZGH-UHFFFAOYSA-N 410.477 4.818 0 40 HJAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1cc(Cl)ccc1Cl 20479040 RFBAEKDXWGRYDY-UHFFFAOYSA-N 421.305 4.873 0 40 HJAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN(Cc1cccs1)C3 20714143 XZCINFGSUJGMGI-UHFFFAOYSA-N 405.475 4.882 0 40 HJAB biogenic CC1(C)CC(NC(=O)c2cccc(OCc3ccccc3Cl)c2)CC(C)(C)N1 22258296 VCOPCXOOMSKXCW-UHFFFAOYSA-N 400.950 4.958 0 40 HJAB CCCn1ccnc1SCC(=O)Nc1scc(-c2ccco2)c1C(=O)OCC 22617303 DXIAYSWYUMGBAH-UHFFFAOYSA-N 419.528 4.522 0 40 HJAB O=c1c2ccccc2nc(SCCCO)n1-c1ccc(Oc2ccccc2)cc1 25041510 ANYRPRBFSJMALT-UHFFFAOYSA-N 404.491 4.653 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)ccc1Cl 27993567 IJOPIPADNLIOKK-HNNXBMFYSA-N 400.931 4.898 0 40 HJAB Cc1nn(Cc2ccc(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)o2)c(C)c1Cl 28226930 HORMJFOHWZRVBU-SNVBAGLBSA-N 404.923 4.628 0 40 HJAB O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccnc1Sc1ccccc1 30529228 NOOHHKRGEHXQGK-FQEVSTJZSA-N 419.506 4.603 0 40 HJAB O=C(Cn1ccc2ccc(Cl)cc21)N1CCC(c2noc3cc(F)ccc23)CC1 32095340 QIZTXCVKNANSBD-UHFFFAOYSA-N 411.864 4.981 0 40 HJAB COc1ccc(-c2nnn(CSC)c2C(=O)Nc2cccc(Cl)c2Cl)cc1 32611867 VXQBFQFBYUQLHS-UHFFFAOYSA-N 423.325 4.833 0 40 HJAB C[C@@H](NC(=O)CN(Cc1cccs1)Cc1cccs1)c1ccc(F)cc1F 32775753 KVYOSAIMGQEDSD-CQSZACIVSA-N 406.523 4.967 0 40 HJAB C[C@H](c1cccs1)N(C)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S 36396662 UXJNTUWHWPHGDC-OAHLLOKOSA-N 411.556 4.829 0 40 HJAB O=C(Cc1ccccc1)N1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 36753133 NIMMWUAJERQZBH-UHFFFAOYSA-N 402.441 4.956 0 40 HJAB CCOc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nc(C4CC4)no3)c2)cc1 40153017 BSHILIRWPHYZTP-UHFFFAOYSA-N 405.454 4.614 0 40 HJAB O=C(Nc1nnc(C2CCCCC2)s1)N(Cc1ccncc1)Cc1cccnc1 58060900 DSZRYWOZQYGQAQ-UHFFFAOYSA-N 408.531 4.610 0 40 HJAB Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CCCN(C(=O)c3ccc(N)nc3)C2)n1 72354198 YDARTNOUXVKPDD-HXUWFJFHSA-N 420.944 4.631 0 40 HJAB C[C@@]1(c2cccc(Cl)c2)NC(=O)N(Cc2cnoc2-c2ccc(Cl)cc2)C1=O 89917112 CUPPLDFELCJMOI-FQEVSTJZSA-N 416.264 4.616 0 40 HJAB COC(=O)C[C@H](c1ccco1)c1oc(CSc2ccccc2Cl)cc(=O)c1O 95474906 RDBCQHJDBYFZJX-CYBMUJFWSA-N 420.870 4.579 0 40 HJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95951873 QHVAINGMAZCHAH-WMZOPIPTSA-N 424.715 4.787 0 40 HJAB CC(=O)N1CCc2cc(C(=O)N3CCc4cc(Cl)c(Cl)cc4[C@@H]3C)ccc21 95965750 QEBPZVSGMBOWTC-LBPRGKRZSA-N 403.309 4.662 0 40 HJAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 210809086 IIKUCUBSAXRLJH-JOEZZVDMSA-N 412.898 4.961 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1c1ccc2c(c1)OCO2 224000333 ASEOQTBDKZPSNB-MSOLQXFVSA-N 415.927 4.702 0 40 HJAB COc1ccc(OCc2cc(C(=O)NCc3ccccc3Cl)ccc2OC)cc1 224262536 UMLNFSRCIFCHEC-UHFFFAOYSA-N 411.885 4.866 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)ccc1Cl 224480325 HOABFJVGRIPGQQ-AWEZNQCLSA-N 401.890 4.802 0 40 HJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CC 224572488 GXYIXKAZUSRKOJ-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCC 225431784 FHRIHSZDOGDXHN-QFIPXVFZSA-N 414.977 4.996 0 40 HJAB Cc1ccc(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)cc1C 225670235 UMNOQKBKCHLJBG-LJQANCHMSA-N 414.977 4.689 0 40 HJAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cnc(C(C)C)nc2)C1 257216745 CVWVFQBLLQIQDR-GOSISDBHSA-N 422.598 4.942 0 40 HJAB CCCCNc1cc(C2CCN(Cc3ccccc3F)CC2)nc(-c2cnccn2)n1 257320620 VXOYOFBXZOYOCE-UHFFFAOYSA-N 420.536 4.664 0 40 HJAB COc1cc(C)c(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 408547813 ABPQJMOTKFXHMD-ZDLGFXPLSA-N 403.887 4.902 0 40 HJAB Cc1cc(S(=O)(=O)NC2CCCCCC2)ccc1NC(=O)c1ccc(Cl)cc1 408609742 RVTMXIPDCRXMQP-UHFFFAOYSA-N 420.962 4.902 0 40 HJAB CCc1ccc(N2C[C@@H](C(=O)Nc3cc(C)c(Br)cc3C)CC2=O)cc1 408648386 XZZAJHVSOVWRKK-INIZCTEOSA-N 415.331 4.620 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 408669943 WJUYZWLGOJZNAA-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)C(=O)[C@@H]2C1 408689962 ZXXURGJNYFAPFU-RBUKOAKNSA-N 408.885 4.746 0 40 HJAB O=C1/C(=C\c2ccncc2)N=C(c2ccc(Br)cc2)N1c1ccc(F)cc1 408840806 GFHUGGFNAYXDIV-CPNJWEJPSA-N 422.257 4.818 0 40 HJAB CC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)o2)cc1 409250264 MVQRXGLQFQNTNF-FYJGNVAPSA-N 400.434 4.551 0 40 HJAB CC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(-n5cccn5)cc4)OCC[C@@]31C2 585261201 HJKDAJKFIMVAMD-ZEWUYMAQSA-N 407.558 4.527 0 40 HJAB COc1ccc(C2=NN3[C@H](c4ccc5c(c4)OCO5)Oc4ccccc4[C@H]3C2)cc1 1505456499 VZORHDUCLBYRCC-YKSBVNFPSA-N 400.434 4.666 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1Br 881915 AXBCVZOKNIENNI-UHFFFAOYSA-N 415.312 4.738 0 40 HJAB COc1ccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(C(C)C)cc2)CC3=O)cc1 2102060 RSHWJQRJWQYJTC-IBGZPJMESA-N 415.493 4.774 0 40 HJAB biogenic CCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OCC 2108658 HXKJTQQHPPEFCK-ZUSJUXBOSA-N 420.553 4.901 0 40 HJAB biogenic Cc1cc(NC(=O)CSc2nn(-c3ccc(C)c(Cl)c3)c(=S)s2)no1 2645972 PNRUZJCWGDPFPH-UHFFFAOYSA-N 412.949 4.652 0 40 HJAB COC[C@H](C)n1c(COc2ccccc2F)nn(CN2[C@@H](C)CCC[C@H]2C)c1=S 3310202 PVOVWDJZOPIROK-BBWFWOEESA-N 422.570 4.560 0 40 HJAB COc1ccc2c(c1OC)C(=O)N1C[C@H](c3ccc(C)o3)c3c([nH]c4ccccc34)[C@@H]21 4088916 ASWRFPZKDMGSKF-WAIKUNEKSA-N 414.461 4.777 0 40 HJAB biogenic COc1ccc(-c2nc(CCNC(=O)c3ccc(C(F)(F)F)cc3)cs2)cc1 4167097 XKNUNQFEMRJEDL-UHFFFAOYSA-N 406.429 4.810 0 40 HJAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4cccc(C)c4C)ncnc32)c(C)c1 4341740 KTGBTUFHCLRUHA-UHFFFAOYSA-N 417.538 4.780 0 40 HJAB Cc1sc2nc(CSCC(=O)C34CC5CC(CC(C5)C3)C4)[nH]c(=O)c2c1C 4485437 YLEMPUONNCRLHR-UHFFFAOYSA-N 402.585 4.620 0 40 HJAB COc1ccc([C@@]2(C(=O)Nc3c(C)cccc3C)CC(=O)N2c2ccccc2)cc1 5484121 GXLKBZFVHYUVNL-RUZDIDTESA-N 400.478 4.583 0 40 HJAB CCOC(=O)c1c(NC(=S)N2CCc3ccccc32)sc2c1CCCCC2 5948018 KRMJWVIELBYNAZ-UHFFFAOYSA-N 400.569 4.953 0 40 HJAB Cc1cccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)c1 6614241 BTAXHUVANAPRCH-UHFFFAOYSA-N 417.490 4.944 0 40 HJAB CN(C)C(=O)[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1 7791071 OHEDHJOTNFEWKV-HXUWFJFHSA-N 417.538 4.683 0 40 HJAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1Cl 7881137 QFKOICWQJPRXIF-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@@H]1c1cccs1 8023127 BKERSBDDALMURH-VIOKTNGOSA-N 411.523 4.541 0 40 HJAB COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc(Cl)c1OC 8103199 XGSZRXGXUUPYOD-ZDUSSCGKSA-N 416.930 4.987 0 40 HJAB C[C@@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc2c(c1)CCCC2 8128132 XGZJNWFDVGGIJM-MRXNPFEDSA-N 416.550 4.916 0 40 HJAB O=C(Cc1csc(-c2ccccc2)n1)N1CCC(c2nc3ccccc3o2)CC1 8316309 PCMXWIWHQXCBJL-UHFFFAOYSA-N 403.507 4.900 0 40 HJAB C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccccc1 8434658 MZBMAMUJNNQKJH-ZDUSSCGKSA-N 413.271 4.785 0 40 HJAB O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21 8961212 KUAVTLUMUOLLGR-UHFFFAOYSA-N 420.490 4.724 0 40 HJAB CCOc1ccc(-c2nc(NC(=O)CCNC(=O)Nc3ccccc3)sc2C)cc1 9634743 YTDCUMWKCJOZLV-UHFFFAOYSA-N 424.526 4.668 0 40 HJAB COc1ccccc1OCC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 10692471 PTTPJFGFKXIRTR-FQEVSTJZSA-N 400.478 4.504 0 40 HJAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCC(c2nc3ccccc3s2)CC1 11257845 YTMYFLHUKQTEGM-GOSISDBHSA-N 419.550 4.594 0 40 HJAB Cc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(C)cc4)c3C)c(C)o2)cc1 12415665 FHYKNNRVMQPMDU-UHFFFAOYSA-N 402.454 4.513 0 40 HJAB COc1cccc(-n2ccnc2SCC(=O)N[C@@H](C)c2cccc(Cl)c2)c1 12556734 PHFDSDOAFJJRQR-AWEZNQCLSA-N 401.919 4.504 0 40 HJAB COc1ccccc1C(=O)Nc1ncc(Cc2ccccc2Br)s1 12745255 LWLKZMPLTTXUKM-UHFFFAOYSA-N 403.301 4.757 0 40 HJAB Cc1ccc(-c2csc(NC(=O)Cn3c(S)nnc3-c3ccc(C)cc3)n2)cc1 12905026 KOMRIWXIZVULOS-UHFFFAOYSA-N 421.551 4.613 0 40 HJAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 12993277 YAICDPNNXYFZAU-UHFFFAOYSA-N 403.265 4.964 0 40 HJAB COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCc1cccc(Cl)c1 13532850 UJNOYMYCOMYIJC-UHFFFAOYSA-N 409.873 4.709 0 40 HJAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc(CN2CCCC2)cc1 14168110 CLKGHZSAKSDAKM-UHFFFAOYSA-N 423.738 4.716 0 40 HJAB Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)c(C)o1 15766038 PCXOPXSNOAWZNB-UHFFFAOYSA-N 418.902 4.911 0 40 HJAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(CC)cc2)cc1OC 16637584 SHKAJZJVFWGNJF-UHFFFAOYSA-N 413.543 4.513 0 40 HJAB CCc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4C)nccn3n2)cc1 16841608 PLUKUSBFBMOBPU-UHFFFAOYSA-N 402.523 4.998 0 40 HJAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)/C=C/c4ccco4)ccc3O)oc2c1 17091814 RDYFYJLBYHDVCA-RMKNXTFCSA-N 419.462 4.628 0 40 HJAB CC(=O)Nc1sc(C)c(C)c1C(=O)N1CCC[C@H](c2cc3ccccc3cn2)C1 19559620 HSSLGSUCTZLHCG-IBGZPJMESA-N 407.539 4.891 0 40 HJAB Cc1cc(Oc2ccc(NC(=O)COc3ccccc3)cc2)cc(C2CCNCC2)n1 19570456 REOHKHBTMZFYKK-UHFFFAOYSA-N 417.509 4.667 0 40 HJAB O=C(Nc1cccc([C@@H]2CCc3nncn3C2)c1)C1(c2ccccc2F)CCCC1 19699082 YNUTVQRFHDHNQX-GOSISDBHSA-N 404.489 4.598 0 40 HJAB Cc1cc(NC(=S)NC(=O)c2ccccc2Cl)ccc1-c1ccc(CO)o1 20151742 XAYJKAYHBVROLQ-UHFFFAOYSA-N 400.887 4.528 0 40 HJAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2ccc(Br)cc21 20722604 VRGJZIKSIZULLN-CQSZACIVSA-N 410.315 4.633 0 40 HJAB O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 20744678 KDHJHWKGERKZFF-LJQANCHMSA-N 422.287 4.562 0 40 HJAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccnc(Cl)c1 21123913 LAPXWHUYHWKWGT-UHFFFAOYSA-N 402.885 4.577 0 40 HJAB Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCc2nc(C)cs2)cc1 21482037 MKIGRQLFONGIPA-UHFFFAOYSA-N 406.486 4.682 0 40 HJAB O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1ccc(Br)o1 22461470 VKXFEWFRSIRRDW-UHFFFAOYSA-N 424.254 4.935 0 40 HJAB COc1ccc(CN(C)C(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 22516674 JVHQGOFCIBGUOL-UHFFFAOYSA-N 400.522 4.920 0 40 HJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 22526355 ODQXKGLMLDEWPZ-QGZVFWFLSA-N 401.528 4.826 0 40 HJAB O=P(O)(O)[C@@H](NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1 27987260 SNOZOGKEGACREK-HSZRJFAPSA-N 419.421 4.505 0 40 HJAB Cc1ccc(NC(=O)c2oc3ccccc3c2NS(=O)(=O)c2cccs2)cc1 28249684 LMSNIOAVVHHYBJ-UHFFFAOYSA-N 412.492 4.856 0 40 HJAB COc1cc(COc2cnc(-c3ccccc3)nc2)c(OC)cc1Br 31785163 ABMLDMYJZPMVRG-UHFFFAOYSA-N 401.260 4.502 0 40 HJAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 32744449 ALEUXJCAKJRANJ-JXMROGBWSA-N 421.541 4.505 0 40 HJAB C[C@H](Nc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12)c1nncn1C 32934485 YHMWPYJTMIXXPV-AWEZNQCLSA-N 413.510 4.722 0 40 HJAB COc1cc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)cc(OC)c1OC 35326951 FEMNTNQZSVLLAR-UHFFFAOYSA-N 422.359 4.639 0 40 HJAB Cc1ccc(OCc2nc(CC(=O)N(Cc3ccc(F)cc3)C3CC3)cs2)cc1 36883537 NZMNODDFYKPASL-UHFFFAOYSA-N 410.514 4.903 0 40 HJAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1C 38772596 DGQYKKJOMGEDLO-UHFFFAOYSA-N 411.479 4.765 0 40 HJAB Cc1cc2nn(CN(Cc3ccccn3)[C@H]3CCSC3)c(=S)n2c2ccccc12 40149125 LQYAFFSDAZBGQS-SFHVURJKSA-N 421.595 4.687 0 40 HJAB CCCOc1ccc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 40160063 YZMVDIATZWGULO-UHFFFAOYSA-N 415.540 4.637 0 40 HJAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@@H](c1ccccc1F)c1nccn1C 44380306 TYVAIYWTBPGZBY-KKSFZXQISA-N 409.505 4.530 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(CN3CCC[C@@H](C)C3)cc1)CC(C)(C)O2 44855569 RLBRFBLRJFYDAH-WZONZLPQSA-N 422.569 4.959 0 40 HJAB COc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1OCc1cccnc1 47881434 CZCDTBRMSSYOOG-UHFFFAOYSA-N 402.372 4.940 0 40 HJAB Cc1ccccc1CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cccn2cnnc12 49404976 PWUOIUUYVAREJC-UHFFFAOYSA-N 420.538 4.557 0 40 HJAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2sc(-c3ccc(C)cc3C)nc2C)C1 60360704 HPBRJHOEDDJZKY-GOSISDBHSA-N 413.587 4.504 0 40 HJAB Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@H](C)C5=C[C@H]34)CC2)c1C 63250208 FUQREJMZEDWYJM-AJGFXRKGSA-N 422.613 4.740 0 40 HJAB CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc(Cl)ccc1Br 72303675 JBQSRHKGZACKRP-INIZCTEOSA-N 421.766 4.697 0 40 HJAB CCO[C@@H](CCNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)C(C)C 72307162 ZDXLKTBQJKUNSF-INIZCTEOSA-N 417.859 4.726 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N(CC)Cc1nc(-c2cccs2)no1 95482377 WCULXHMLXKRASE-CQSZACIVSA-N 405.907 4.658 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1C 216030605 VCYYTGXVYJWSSJ-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(Br)cc1 218818696 WNHHXEGNVHNJOA-KRWDZBQOSA-N 404.304 4.555 0 40 HJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 222940704 TVRNCDUGEOBHBV-HXUWFJFHSA-N 423.513 4.517 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccncc1)c1ccccc1 223410863 BESCTASZUMBLPG-QHCPKHFHSA-N 421.928 4.531 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223858647 LFRDKRPWLHBWIO-SFHVURJKSA-N 412.961 4.667 0 40 HJAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1 224625371 CFQCMGHDKTXUML-UHFFFAOYSA-N 422.506 4.771 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224886231 NQFPUBLXMQGKPT-SNVBAGLBSA-N 404.182 4.754 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1C1CCCC1 225005848 PVGYBNMJBLMGFU-JKSUJKDBSA-N 408.390 4.821 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 225134660 IRIIFGPDLCKIEX-QFIPXVFZSA-N 412.599 4.811 0 40 HJAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(C(=O)OCC)cc1C 225625916 ZWTYIXCSGZEQMC-UHFFFAOYSA-N 414.571 4.880 0 40 HJAB Cc1nc([C@H](Cc2ccsc2)NC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)sc1C 248054584 UAUVVJVLCOXNEP-BUDYXABQSA-N 416.612 4.553 0 40 HJAB CN(C(=O)CN1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)C1CCCCC1 257218993 DFEOHUWDHRGJKZ-QFIPXVFZSA-N 423.576 4.782 0 40 HJAB COc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cn1 257268122 MKICKIMJRALWHV-LJQANCHMSA-N 411.889 4.690 0 40 HJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(Cl)cc1 408647710 VAXJKTYJFVTUMC-UHFFFAOYSA-N 417.086 4.860 0 40 HJAB CCOC(=O)c1c(NC(=O)/C=C/c2cnn(CC)c2C)sc2c1CC[C@@H](CC)C2 657244 KLWVXDLTGDOYRW-SLZMIMFISA-N 415.559 4.616 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2C2CCCCC2)cc1 1417199 XUJNVQUYUXEWDZ-UHFFFAOYSA-N 407.543 4.885 0 40 HJAB O=C(CSc1nc2ccccc2s1)c1sc2sc3ccccc3[n+]2c1O 1578482 INBZJBYYDIOHLH-UHFFFAOYSA-O 415.566 4.992 0 40 HJAB aggregator,in-vitro Cc1cc(N)c2cc(OCCCCOc3ccc4nc(C)cc(N)c4c3)ccc2n1 1848318 BGWFSRMRRHGVKS-UHFFFAOYSA-N 402.498 4.802 0 40 HJAB CCOc1ccc(C(NC(=O)c2ccccc2C)NC(=O)c2ccccc2C)cc1 2172458 DVNVINQTJVEMHZ-UHFFFAOYSA-N 402.494 4.561 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)c1C 2415129 SYEJEZDBSWUSAS-UHFFFAOYSA-N 408.483 4.527 0 40 HJAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)Nc1cccnc1Cl 2629940 ANVSBQMOAFSGLK-UHFFFAOYSA-N 423.881 4.807 0 40 HJAB CCOc1ccccc1N1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)CC1 2644154 MVNGAGVNGPMKHC-SFHVURJKSA-N 417.553 4.654 0 40 HJAB COc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2C(F)(F)F)c1 2723121 PNGNDMZZNZZKSW-UHFFFAOYSA-N 407.417 4.631 0 40 HJAB O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1nc2ccccc2s1 3233468 UWAUFNIOBYWMKB-UHFFFAOYSA-N 417.516 4.761 0 40 HJAB CCc1ccc(Nc2nnc(SCC(=O)NCCC3=CCCCC3)s2)cc1 3461198 JCRUZLHZRAKNEO-UHFFFAOYSA-N 402.589 4.943 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1OC 4087791 BRILADUDBSYWSM-ONNFQVAWSA-N 401.875 4.528 0 40 HJAB CCc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)c2ccco2)cc1 4240728 WUOWNYKZKISGCT-HSZRJFAPSA-N 420.509 4.878 0 40 HJAB COc1ccc(-c2nnc(S[C@@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)o2)cc1 4475384 NYXJFXJPUFQGIG-NSHDSACASA-N 414.512 4.513 0 40 HJAB Cc1ccc2nc(N(CCN(C)C)C(=O)CCSc3ccc(F)cc3)sc2c1 4585253 DULMUXBDQCYPTR-UHFFFAOYSA-N 417.575 4.821 0 40 HJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1cccc(Cl)c1Cl 4979640 VTQHXFWOVHSAIS-UHFFFAOYSA-N 415.276 4.826 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)N(Cc2ccco2)C2=CCCCC2)n1C 5084935 KLLXWFRCMPIHFZ-UHFFFAOYSA-N 412.515 4.555 0 40 HJAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3nc4c(C)cc(C)cc4s3)n2)cc1 5193718 QQEGBKIOGDZCKT-UHFFFAOYSA-N 409.540 4.737 0 40 HJAB C[C@H]1CCc2c(sc3[nH]c(=S)n(-c4ccc(Br)cc4)c(=O)c23)C1 5490182 VVHXXHBTQJLOMA-VIFPVBQESA-N 407.358 4.997 0 40 HJAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1[C@@H]1CCCC[C@@H]1C 5829873 OOFAIBVQRYGKQH-TXPKVOOTSA-N 416.591 4.712 0 40 HJAB C[C@@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccccc1Cl 6461178 OMNKDFLVHHXWTM-MRXNPFEDSA-N 408.885 4.849 0 40 HJAB CCC[C@H](C)NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 6541565 XMLRKNAJWPBHLW-AWEZNQCLSA-N 402.420 4.872 0 40 HJAB Cc1cccc(N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)n1 6760709 CJGJLPUSYKKRNX-OAQYLSRUSA-N 416.447 4.682 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1SCC(=O)N1CCCC1 6784483 OZJGVFXVVHWPTC-UHFFFAOYSA-N 418.946 4.624 0 40 HJAB CC1(C)[C@H](C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CC[C@@]1(C)C(=O)O 6829026 MHORALJDMGGTAR-BTDLBPIBSA-N 416.421 4.661 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c1C 7160629 BMCQAMVUHXZAFF-UHFFFAOYSA-N 407.417 4.771 0 40 HJAB COc1ccc(OC)c(CSc2nc(-c3ccccc3Br)n[nH]2)c1 7695764 DKSONHUCPJEBID-UHFFFAOYSA-N 406.305 4.544 0 40 HJAB O=C(COc1ccc(NC(=O)c2ccccc2)cc1)N[C@@H]1CCCc2ccccc21 8121101 YTDYNBUZVFYDDH-HSZRJFAPSA-N 400.478 4.512 0 40 HJAB CCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccc(C(=O)OC)cc1 8363724 LBFQMKRXYIZHRA-JRLDGGGSSA-N 400.887 4.751 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1 8427952 VBIHQMONPMSROS-LBPRGKRZSA-N 415.902 4.828 0 40 HJAB O=C(CSc1nnc(Cc2ccccc2)o1)N[C@@H](c1ccccc1)c1cccs1 9477252 COZAKLVQWVRNGN-NRFANRHFSA-N 421.547 4.720 0 40 HJAB COc1ccc(-c2nonc2NC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)cc1 9577254 YCROBTUVJSEMSW-UHFFFAOYSA-N 416.437 4.531 0 40 HJAB COc1ccccc1CCC(=O)Nc1nnc(SCc2ccc(F)cc2)s1 9592917 FARBVSDKGVMTIU-UHFFFAOYSA-N 403.504 4.549 0 40 HJAB COC(=O)c1c(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)sc2c1CCCC2 11916915 USESZVMTSZDIQE-UHFFFAOYSA-N 414.458 4.768 0 40 HJAB Cc1ccc([C@@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2CCCOC(C)C)cc1 12062504 ZJKYIQWVQAPQOE-JOCHJYFZSA-N 405.494 4.770 0 40 HJAB COc1cc(NC(=O)c2sc(-c3c(F)cccc3OC)nc2C)cc(OC)c1 12323187 LGKVRIPLNCHNGG-UHFFFAOYSA-N 402.447 4.536 0 40 HJAB COc1ccc(-c2cc(-c3nn4c(-c5ccccc5Cl)nnc4s3)no2)cc1 12323576 AFHNDDWYKQUVRQ-UHFFFAOYSA-N 409.858 4.837 0 40 HJAB COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccc2OC)cc1 13382129 LMBCQFCXDYWJJJ-IZHYLOQSSA-N 416.433 4.640 0 40 HJAB CCN(CC)c1ccc(NC(=O)CCCn2nc(-c3cccs3)ccc2=O)c(C)c1 13698657 IBUMYZXRQCCTLY-UHFFFAOYSA-N 424.570 4.545 0 40 HJAB CCn1c(-c2ccncc2)nn(CN(C)Cc2cccc(Cl)c2Cl)c1=S 14184711 CGBAFRQWHUTGSS-UHFFFAOYSA-N 408.358 4.892 0 40 HJAB CC(C)n1nc(C(=O)Oc2ccc(C3SCCS3)cc2)c2ccccc2c1=O 15579490 ZKIMKOYITNXBKV-UHFFFAOYSA-N 412.536 4.675 0 40 HJAB CS(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1 16248359 JDWYVBGWWPBAAK-UHFFFAOYSA-N 423.321 4.551 0 40 HJAB C[C@H]1CN2c3ccccc3C(C)(C)[C@@]2(/C=C/c2ccc(Br)cc2)NC1=O 16609647 CGYITOVXPZRNNO-KJWNDFCESA-N 411.343 4.722 0 40 HJAB COc1ccc(-c2csc(NC(=O)CCCc3nc(-c4ccccc4)no3)n2)cc1 16706953 JPHBZZKCWYKPPM-UHFFFAOYSA-N 420.494 4.830 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3c(F)c(F)c(OC)c(F)c3F)n2)cc1 17089109 GJKMNKJCMCGPML-UHFFFAOYSA-N 412.364 4.636 0 40 HJAB Clc1ccc(-n2ncc3c(Nc4ccc(Br)cc4)ncnc32)cc1 17723590 ZETZHDSPPAUPAA-UHFFFAOYSA-N 400.667 4.975 0 40 HJAB Cc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 19286757 KVECPLFORZMVSL-HKUYNNGSSA-N 407.514 4.567 0 40 HJAB CCn1ncc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)c1C 19687440 OLBSZNBETYSQDI-NRFANRHFSA-N 424.980 4.725 0 40 HJAB Cc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)cc1C 21156587 FEEHPEOHROMDPV-UHFFFAOYSA-N 414.465 4.534 0 40 HJAB Cc1ccc([C@@](O)(CCNC(=O)N(C)Cc2ccc3ccccc3c2)C(F)(F)F)o1 23143543 CAGUGADOZZSTRR-NRFANRHFSA-N 420.431 4.723 0 40 HJAB Clc1cccc(-c2cnc(CSc3nnnn3CCc3cccs3)o2)c1 23202402 QIYDOUKFKMMFNG-UHFFFAOYSA-N 403.920 4.578 0 40 HJAB CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccccc2OC)n(C)c1=S 24177807 APQZSCNWKATRCM-UHFFFAOYSA-N 408.980 4.821 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 25049180 MJVUQHGIBYJRJU-UHFFFAOYSA-N 416.886 4.723 0 40 HJAB CN(Cc1ccc2c(c1)OCO2)Cc1csc(COc2ccc(Cl)cc2)n1 25926265 STTYMSZFRRADSS-UHFFFAOYSA-N 402.903 4.736 0 40 HJAB COc1cc(/C=C2\N=C3CCCCCN3C2=O)ccc1OC(=O)c1ccc(Cl)cc1 27525372 WJBGOGRHOLLNNN-AQTBWJFISA-N 424.884 4.723 0 40 HJAB CC(C)c1noc([C@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)n1 27776519 AFKMTEIEWZMXAU-QWHCGFSZSA-N 405.549 4.545 0 40 HJAB COc1ccccc1Cn1c([C@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 27792573 XYIIFRTWQKMWAI-FQEVSTJZSA-N 411.505 4.922 0 40 HJAB CCc1ccc2oc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)cc(=O)c2c1 28289828 SNEZSWJAPSURSX-HXUWFJFHSA-N 424.928 4.576 0 40 HJAB COc1cc2ccccc2cc1C(=O)NCc1ccc(-c2nc3cnccc3o2)cc1 32087914 RVCTWYJSVTXARJ-UHFFFAOYSA-N 409.445 4.982 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCC[C@H]2c2cccs2)C1 32988698 CVIGMCQVVALQMI-WMZOPIPTSA-N 402.947 4.617 0 40 HJAB Cc1cccc2c(=O)cc(CSc3nnc(CC(C)C)n3-c3ccccc3)[nH]c12 33063586 NVJSXCBKXIXYDA-UHFFFAOYSA-N 404.539 4.908 0 40 HJAB O=C(c1ccccc1C(F)(F)F)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 35597661 DXCFIXNURITUGU-UHFFFAOYSA-N 419.378 4.914 0 40 HJAB C[C@H](NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1Cl 36403488 OQIMFYMOSACETL-JXFKEZNVSA-N 414.933 4.516 0 40 HJAB O=C(O)C(=O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 38289788 ALTFIMDUFNNVBD-UHFFFAOYSA-N 414.486 4.814 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)C1CCN(Cc2ccccc2)CC1 39763908 OKKNYYLBTZTRAV-UHFFFAOYSA-N 419.569 4.554 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC(C)(C)C3)c(Cl)c2)cc1 44947841 QTFGMUBCPXGPLM-UHFFFAOYSA-N 420.962 4.711 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)c(OC)c1 57312935 FPNJKTYMCWNBLP-UHFFFAOYSA-N 418.824 4.503 0 40 HJAB CCCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2ccsc2c1=O 57425356 OVJBOWRXJWKRGP-UHFFFAOYSA-N 401.557 4.722 0 40 HJAB O=C(CCCNc1ccnc2cc(Cl)ccc12)NCCc1cccc2cccnc12 58061787 ZDWJKMKACFQSHW-UHFFFAOYSA-N 418.928 4.987 0 40 HJAB O=C(COc1cccc(NC(=O)N[C@@H]2CCCc3ccccc32)c1)Nc1ccccc1 71942174 NHPWUVCFOCLVIO-HSZRJFAPSA-N 415.493 4.903 0 40 HJAB COc1c(C)cccc1C(=O)N1CCCC[C@H]1c1nc(C)ncc1-c1ccncc1C 72390704 UCWNAXCXXVUOPS-QFIPXVFZSA-N 416.525 4.840 0 40 HJAB O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCCCC2)CC1)C1CCOCC1 72393563 JLNLMRSAYFGQMM-UHFFFAOYSA-N 419.009 4.549 0 40 HJAB CC(C)(C)OC(=O)NC[C@H](NC(=O)/C=C/c1ccncc1)c1ccc2ccccc2c1 95446911 XDNSHCVIXHNNNU-NJTIBFSMSA-N 417.509 4.630 0 40 HJAB C[C@@H](NC(=O)COC(=O)CSc1cc(Cl)ccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102149096 ULQGYGSMPQCGPV-OSFYFWSMSA-N 416.370 4.570 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 222540449 FSKZTDVQOOADCH-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CCc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 222785044 ZUPTZQWRLLRHGW-GOSISDBHSA-N 422.550 4.849 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1Cc1ccco1 223331445 KAWGUNJNCRBCFQ-JKSUJKDBSA-N 420.357 4.671 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccccc1F 223598996 AJKWUJVLNDIVAE-JOCHJYFZSA-N 401.547 4.912 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 224138565 LNMPSKYFAHPROJ-JOCHJYFZSA-N 412.599 4.729 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 224770559 BPIPPXDNMOJBQQ-OAQYLSRUSA-N 408.586 4.995 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1C 224866331 HLLMTXQNZPBKEY-WOJBJXKFSA-N 412.946 4.573 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 225008522 KAMHQMJCAWXOTQ-UXHICEINSA-N 412.599 4.560 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 225511736 XOCWIPKLSAZNCF-ZJSXRUAMSA-N 424.585 4.713 0 40 HJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225623124 MMBVSYDTAFZLBV-YOSAUDMPSA-N 404.595 4.967 0 40 HJAB CC(C)CC(=O)N1CCC[C@H](c2nc(N3CCC[C@H](C)C3)ncc2-c2cccnc2)C1 248252074 JHRWIUXJRNMLDQ-FPOVZHCZSA-N 421.589 4.527 0 40 HJAB CC(C)Sc1ccc(CC(=O)N2CC[C@@H](Oc3cccc4cccnc34)C2)cc1 252492911 MXHYUCGNMFWNIV-HXUWFJFHSA-N 406.551 4.958 0 40 HJAB COCCC(=O)N[C@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cc(F)ccc2O)C1 257306912 SWOCLMKFJIPWBX-TUNNFDKTSA-N 421.896 4.689 0 40 HJAB O=C(c1nccc2ccccc12)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257313227 URLPEHUIILEIML-IBGZPJMESA-N 415.468 4.973 0 40 HJAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3cc(C)c(Br)cc3C)CC2=O)c1 408647906 WACNUNVJNHPBFM-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 408714881 YEQHRVREMXRACG-KRWDZBQOSA-N 407.514 4.768 0 40 HJAB CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCc1ccccc1C 408926733 XVQRPQNDBLLLGJ-YVLHZVERSA-N 402.903 4.765 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)cc1 409164576 KKLWEWFLULFCFB-CXUHLZMHSA-N 421.305 4.977 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(F)cc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409361637 QNYPJNOBWUNBNA-MUKKUYKPSA-N 400.416 4.741 0 40 HJAB COC(=O)CC[C@@H](C)[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[C@@]21C 600975553 BWDRDVHYVJQWBO-IZNZOKPZSA-N 406.607 4.566 0 40 HJAB CSc1cc(C(=O)Nc2cc(C)n(-c3ccccc3)n2)ccc1Br 1127566461 WSRNHQBYNSFLKQ-UHFFFAOYSA-N 402.317 4.917 0 40 HJAB CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)c1ccc(C)cc1 1223631 CHSHNXVVGOVJNC-UHFFFAOYSA-N 408.454 4.890 0 40 HJAB CCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(=O)c1cccc(C)c1 1341198 SYTUINMEHCCUJU-UHFFFAOYSA-N 419.481 4.692 0 40 HJAB COc1ccc(CCn2c(-c3cccs3)nc3nc4ccccc4nc32)cc1OC 2245049 BETABRXPFQZILZ-UHFFFAOYSA-N 416.506 4.968 0 40 HJAB CCCSc1nc(SCC(=O)OCC)c2c3c(sc2n1)COC(C)(C)C3 2356386 JFIMMQRRTQWFCL-UHFFFAOYSA-N 412.602 4.700 0 40 HJAB Cn1c(COc2cccc3ccccc23)c(Br)c(=O)n1-c1ccccc1 2539552 XITOGZLCOSUSCM-UHFFFAOYSA-N 409.283 4.671 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl 2642327 MYRQSVSCTWEFIQ-UHFFFAOYSA-N 405.237 4.752 0 40 HJAB CCN(CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccccc1 2890468 QFHBZEHJRWSJTH-OAQYLSRUSA-N 424.928 4.724 0 40 HJAB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1ccc(Cl)c(Cl)c1 3304297 MCEHYEDKKATGKG-UHFFFAOYSA-N 408.159 4.688 0 40 HJAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1ccccc1OC(F)F 3353060 BMWCFIAEYGHBNT-UHFFFAOYSA-N 414.195 4.556 0 40 HJAB COc1ccc(-n2c(S[C@H]3CCCCC3=O)nnc2-c2ccccc2)cc1OC 4246502 MMYBJVYVMOLVMJ-FQEVSTJZSA-N 409.511 4.555 0 40 HJAB CCCCOC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 4412282 KPKKCJQOIXGJRA-UHFFFAOYSA-N 416.930 4.534 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 6615625 MJRVZFTYBXKNFY-UHFFFAOYSA-N 418.472 4.875 0 40 HJAB COc1cc(-c2c(NCc3ccccc3)oc3cc(C)oc(=O)c23)cc(OC)c1OC 6669425 GHDYUFOHKMRGJK-UHFFFAOYSA-N 421.449 4.999 0 40 HJAB COc1ccc(-n2c(SC[C@@H]3CCCO3)nnc2-c2ccccc2Cl)cc1 6977465 DBNWAFOENRMQLL-INIZCTEOSA-N 401.919 4.867 0 40 HJAB CC[C@@H](C)c1ccc([C@H](NCC(=O)Nc2cccc(S(C)(=O)=O)c2)C(C)C)cc1 7719272 HZBVQZPKTZWPLD-UZUQRXQVSA-N 416.587 4.529 0 40 HJAB C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NC[C@@H]1CCCO1 8312060 AIJWXHLVZOQZDO-LPHOPBHVSA-N 408.523 4.784 0 40 HJAB CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOCC)c1 8867730 ZFDWLYZAUAXFRQ-JOCHJYFZSA-N 421.493 4.554 0 40 HJAB COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)c1OC 9134911 ABCWLCGFDXJGEX-UHFFFAOYSA-N 404.422 4.623 0 40 HJAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2-c2ccccc2)cc1 9668975 RCFGMZFGNJNLRB-HNNXBMFYSA-N 421.551 4.819 0 40 HJAB Clc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1Cl 9708900 WDWGSXOOWUZPEW-UHFFFAOYSA-N 417.300 4.502 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10314718 UWZHLUPXEWQGJI-UHFFFAOYSA-N 408.523 4.865 0 40 HJAB Cc1cc(C(=O)Nc2cc(Cl)cc3cccnc23)c2nc3n(c2n1)CCCCC3 12544725 RXXPVIDFBCYZRV-UHFFFAOYSA-N 405.889 4.920 0 40 HJAB COc1ccc([C@@H]2CCCCCN2Cc2nc(-c3ccc(OC)cc3OC)no2)cc1 12805197 SFGWBQJSOAKQKE-NRFANRHFSA-N 423.513 4.880 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(Br)cc1 13004385 BIIQJWQJYFRCEC-UHFFFAOYSA-N 418.316 4.994 0 40 HJAB CCc1ccc([C@@H](NC(=O)C2CCN(C(=O)c3ccco3)CC2)c2cccs2)cc1 13008457 JZNMZPZEJQXLOO-JOCHJYFZSA-N 422.550 4.662 0 40 HJAB COc1ccc(C(NC(=O)COc2ccc(Cl)cc2)c2ccc(OC)cc2)cc1 13015748 AZJMGWKPBVKBCW-UHFFFAOYSA-N 411.885 4.642 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2ncnc3sccc23)C1=O 13114725 AIHNAHGBUNNRHP-OAHLLOKOSA-N 417.943 4.658 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCN(c2ccccc2F)CC1 13688482 UIGSVXAZOQTAHJ-UHFFFAOYSA-N 415.921 4.873 0 40 HJAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1CC 14085523 RRHQWKAWISBDMW-UHFFFAOYSA-N 410.543 4.711 0 40 HJAB O=C(NC[C@H]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1)Nc1cccc(F)c1 16399161 OIXJDXYMRROCCN-IYBDPMFKSA-N 416.472 4.714 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc2[nH]c(C)c(C)c2c1 18094881 NGOUPZASPGJPGS-UHFFFAOYSA-N 417.431 4.904 0 40 HJAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCC2CCCC2)cc(N(C)C)n1 19240850 MEBAWJDKWCXDBJ-JOCHJYFZSA-N 419.573 4.703 0 40 HJAB O=C(CCc1ccccc1)N1CCO[C@@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19687746 UWOZXPFCLWEVCH-HSZRJFAPSA-N 406.913 4.935 0 40 HJAB CN1CCc2nc3sc(NC(=O)Nc4ccccc4)c(-n4cccc4)c3cc2C1 19889332 KBLFTECDSFZICE-UHFFFAOYSA-N 403.511 4.719 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccncc3)no2)cc1 22459862 APXDQOFHBGIUER-UHFFFAOYSA-N 400.438 4.838 0 40 HJAB Cc1c(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)sc2nc(C(F)(F)F)ccc12 31479252 IUZYHOXKVMYNNR-QWRGUYRKSA-N 414.449 4.570 0 40 HJAB O=C(c1ccco1)N1N=C(C2CC2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 32608432 OJPPYCQEWQPZLO-KRWDZBQOSA-N 423.856 4.606 0 40 HJAB OCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 34772767 ZADGYMJOPSVHAZ-UHFFFAOYSA-N 409.050 4.669 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ncnn23)c(C)c1 36619292 AYFFBBUYRSZXLF-OAHLLOKOSA-N 405.889 4.553 0 40 HJAB COCc1nn2c(C)c(C(=O)Nc3cccc(Cl)c3)cnc2c1-c1ccccc1 38829707 GDIYXQBGNQNMQV-UHFFFAOYSA-N 406.873 4.757 0 40 HJAB O=C(Nc1cccc(CNC(=O)c2sccc2-c2ccccc2)c1)c1cccnc1 40087206 OFMXAQYRECVGGO-UHFFFAOYSA-N 413.502 4.992 0 40 HJAB Cc1cccc(NC(=O)COc2cccc(-c3noc(COc4ccccc4)n3)c2)c1 40488337 KPFPRPGFJBWWIJ-UHFFFAOYSA-N 415.449 4.642 0 40 HJAB CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)NCc2ccccc2Cl)s1 44892763 GBQRJDGRAYTKCA-UHFFFAOYSA-N 413.930 4.588 0 40 HJAB Cc1cccnc1NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 44921277 PKAXPGVAIWBWQL-OAQYLSRUSA-N 403.526 4.824 0 40 HJAB O=C1NCCCC[C@@H]1Nc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12 48302474 NQGPRLVRSHUEMW-SFHVURJKSA-N 415.522 4.501 0 40 HJAB CC(=O)N(c1ccc(F)cc1)c1nc(CN2CCC[C@@H](C(F)(F)F)C2)cs1 48353582 UGQMOPOFVKODQB-CYBMUJFWSA-N 401.429 4.741 0 40 HJAB CCN(Cc1ccccc1)C(=O)Cn1cccc1-c1nc(-c2ccc(C)cc2)no1 57486844 RKSNPKBLDJKQPQ-UHFFFAOYSA-N 400.482 4.562 0 40 HJAB CCCN(C(=O)CCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1 58325125 ZXHVUMLFAIDYEO-UHFFFAOYSA-N 412.961 4.816 0 40 HJAB CCOc1cc(/C=C2/N=C(C)OC2=O)cc(Br)c1OCc1ccccc1 59484421 AZZSZCMZLDREJR-LICLKQGHSA-N 416.271 4.743 0 40 HJAB O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC(Nc2ccc(F)cc2)CC1 63584169 NXWUOCVHLZBFEQ-UHFFFAOYSA-N 420.459 4.913 0 40 HJAB Cc1oc(-c2cccc(Cl)c2)nc1Cn1ccn2nc(-c3ccccc3)cc2c1=O 64977469 BFOSFQGNMVCTQR-UHFFFAOYSA-N 416.868 4.828 0 40 HJAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)cc4)nccn3n2)cc1C 67289794 JFOFJDJMFMLKTI-UHFFFAOYSA-N 406.486 4.883 0 40 HJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C)cc3F)oc12 67299094 QCXOCYINWPOVKP-RWEWTDSWSA-N 406.413 4.644 0 40 HJAB CC(C)[C@H](NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)c1nnc2ccccn12 72291355 DWIXZDSVXIHEKB-KUHUBIRLSA-N 404.436 4.755 0 40 HJAB O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C1CCCC1 72341430 UXJCZIUQOCKKTN-PXNSSMCTSA-N 419.541 4.681 0 40 HJAB CC(=O)Nc1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)c1 72349001 UWEFSFWJFQQTIS-QFIPXVFZSA-N 413.521 4.656 0 40 HJAB CN(C)Cc1ccc(C(=O)N2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)cc1 72361052 VDQDNTOOLLNHAD-JOCHJYFZSA-N 417.528 4.969 0 40 HJAB Cc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCCC3)s1 72402065 LDXIUHLIMBAKNW-IBGZPJMESA-N 424.570 4.670 0 40 HJAB CC(C)n1ncc2c(C(=O)N3CCC(c4ccc(O)cc4)CC3)cc(C3CC3)nc21 84633089 HUFBKPPABNAQJW-UHFFFAOYSA-N 404.514 4.615 0 40 HJAB Cc1ccc(-c2noc(CNC(=O)CSCc3ccc(Cl)cc3Cl)n2)cc1 95482470 DKEGRNLUXUWAQG-UHFFFAOYSA-N 422.337 4.901 0 40 HJAB CCO/C=C\C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)/C=C\OCC)cc2)cc1 142238661 VRIYNUMNLCUSBU-IQRFGFHNSA-N 424.493 4.924 0 40 HJAB Cc1ccnc(N(Cc2cccc(I)c2)C(=O)OC(C)(C)C)c1 199714410 OGIODFPKKOSSJA-UHFFFAOYSA-N 424.282 4.936 0 40 HJAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)c1 216033619 GVDJSDGKJJNUKL-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1ccncc1 223517148 FKUIYEDOCLZSNN-PKTZIBPZSA-N 417.582 4.956 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223720120 KJRMANLBRGVBLD-IBGZPJMESA-N 410.583 4.563 0 40 HJAB Cc1cc(Br)cnc1NC(=S)NCC1(c2ccccc2)CCCC1 223972433 OQPCXPADDNDTGO-UHFFFAOYSA-N 404.377 4.951 0 40 HJAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccccc3)o2)c(OC)c1 224930124 MEXRCZWGZBRWBF-UHFFFAOYSA-N 414.461 4.956 0 40 HJAB C[C@H]1CCCN(c2ccc(N)cc2C(=O)Nc2c(F)cc(F)cc2Br)C1 226324731 WJMUKQSYDZZOPB-NSHDSACASA-N 424.289 4.798 0 40 HJAB C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(Cc3ccccn3)[C@H]1CCCCC(=O)N2 257252488 JUZDYPOBUZXBBF-ONTIZHBOSA-N 417.475 4.865 0 40 HJAB CCCCC(=O)N1CCC[C@H]1c1nc(COc2ccccc2Cl)c(C(=O)O)s1 257271140 MXAHJFVAKMEQFZ-HNNXBMFYSA-N 422.934 4.927 0 40 HJAB CCOc1ccccc1-c1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n[nH]1 408529012 ZJDKXPYBRLONBP-UHFFFAOYSA-N 423.325 4.908 0 40 HJAB CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 408619208 GWQQHAFJYPFDJL-UHFFFAOYSA-N 404.491 4.595 0 40 HJAB Cc1ccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2ccccc2)c(C)c1 408697860 LYNLQXBJSURABJ-UHFFFAOYSA-N 411.461 4.591 0 40 HJAB CCc1ccc(C2=NN(C(=O)c3ccc(C)c(Cl)c3)[C@](O)(C(F)(F)F)C2)cc1 409103069 AFVUTVSWUBKBGZ-LJQANCHMSA-N 410.823 4.712 0 40 HJAB O=C(C1CCC1)N1CCC2(CCCCc3ccccc3OCCN(CC3CC3)C2)CC1 643570689 OGBRGOZLFRGAAT-UHFFFAOYSA-N 424.629 4.913 0 40 HJAB CC[C@@H](Cc1ccc(C(F)(F)F)cc1)NCc1ccc(S(C)(=O)=O)c(Cl)c1 1659450734 CTHLHYSGJXHUJX-INIZCTEOSA-N 419.896 4.873 0 40 HJAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)c3ccc(F)cc3)CC2)cc(C)c1Cl 2037912710 WPRFLASSRODXJJ-JOCHJYFZSA-N 405.897 4.532 0 40 HJAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 674609 SQGLDIRNJCBEHS-UHFFFAOYSA-N 414.571 4.657 0 40 HJAB O=C(c1ccccc1Cl)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc(Cl)cc1 726965 TVJLIHOKQUYNBO-INIZCTEOSA-N 403.187 4.603 0 40 HJAB Cc1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)c1 835083 HZNXNEMILPYSTN-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)c1ccccc1 916083 YIAMMNDXQBGOTK-UHFFFAOYSA-N 401.919 4.814 0 40 HJAB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1cc(Cl)ccc1Cl 1267236 JNRRUVXPCTTYRS-UHFFFAOYSA-N 400.287 4.869 0 40 HJAB CC(C)c1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)C[C@@H](C)CC3 1375665 WUUUGCKOLHLTAJ-ZDUSSCGKSA-N 415.584 4.941 0 40 HJAB COc1cc2c(cc1N[C@H]1OC(=O)c3c1ccc(OC)c3OC)oc1ccccc12 2107473 LDSRSSNPXDMHOZ-QFIPXVFZSA-N 405.406 4.893 0 40 HJAB biogenic COc1ccccc1NC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2369433 KGXIDRULEBLEGV-UHFFFAOYSA-N 415.497 4.933 0 40 HJAB CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)c1 2702765 KWUKELCGCTZSBS-LJQANCHMSA-N 418.474 4.788 0 40 HJAB Cc1ccc(C(=O)[C@@H](c2ccc(C)cc2)N2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 3375850 MQXMUVPYLWHCEN-ATIYNZHBSA-N 412.489 4.695 0 40 HJAB Cc1cccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 4723981 LKPFLIWDWOCEBW-UHFFFAOYSA-N 422.550 4.952 0 40 HJAB COc1ccc(CCC(=O)Nc2ccc(Br)cc2Br)cc1 5526971 QWKRKQODQFEHHW-UHFFFAOYSA-N 413.109 4.792 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2cc(C)ccc2C)NC(=O)N1 5559491 JLYCNWAPCPBBCT-GOSISDBHSA-N 403.404 4.589 0 40 HJAB C[C@H](CNC(=O)CSc1nn(-c2ccccc2)c(=S)s1)c1ccccc1 6510764 YDASKOAYCHONJW-CQSZACIVSA-N 401.582 4.675 0 40 HJAB COc1ccccc1[C@H](CNC(=O)c1oc2c(Cl)cccc2c1C)N1CCCC1 6589298 WROAXFQGXGPSAO-IBGZPJMESA-N 412.917 4.970 0 40 HJAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(CN2CCCC2)cc1 6646894 WNGZXVPVJKFSML-IZZDOVSWSA-N 415.331 4.705 0 40 HJAB COC(=O)c1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1 6830928 MFYSUAFOYXOJQN-UHFFFAOYSA-N 416.506 4.717 0 40 HJAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OC 6941990 UYDABLSJVWVBSD-NDENLUEZSA-N 408.479 4.592 0 40 HJAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC(C(=O)N2CCCCCC2)CC1 7450056 FKAMGZQBPHNBKX-UHFFFAOYSA-N 414.933 4.855 0 40 HJAB COc1ccc(-c2nc3cc(NC(=O)c4c(OC)cccc4OC)ccc3o2)cc1 8159392 QAZWURPSIXVYKF-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB Cc1ccccc1OCc1nn(CC(=O)Nc2cccc(Cl)c2C)c(=S)o1 8571612 FYGKIIWQYKYASW-UHFFFAOYSA-N 403.891 4.694 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccccc1)N(Cc1cccnc1)C3=O 8664910 NOGQSNJMKDIVJP-NRFANRHFSA-N 416.864 4.895 0 40 HJAB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 8710580 GJTLXKGMMKEKIS-RYUDHWBXSA-N 424.328 4.638 0 40 HJAB O=C(Cc1ccc2c(c1)OCO2)N(Cc1ccco1)c1nc2ccc(F)cc2s1 9522546 ZFWZPYHYUPKOSS-UHFFFAOYSA-N 410.426 4.533 0 40 HJAB C[C@@H](NC(=O)COC(=O)c1ccc(COc2ccccc2)o1)c1ccccc1Cl 10564446 BFTLTBPOXXEOGQ-OAHLLOKOSA-N 413.857 4.546 0 40 HJAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1sc2ccccc2c1Cl 10900819 SOUHALQPLNUCJF-UHFFFAOYSA-N 400.931 4.664 0 40 HJAB C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)N[C@@H](C)c1ccccc1 11398459 NBZRNBJXUYDXBC-IRXDYDNUSA-N 414.461 4.918 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)sc2c1CCCC2 11636916 JSAWVPBDMZJBMN-QGZVFWFLSA-N 417.527 4.608 0 40 HJAB CCc1ccc(-c2noc(CCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)n2)cc1 12811877 FSGDFVTWCYPBHF-BYRKXKEESA-N 407.558 4.953 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cc3)C2)c2ccccc12 12918669 FYJIKZNQDBZUGF-SFHVURJKSA-N 402.494 4.648 0 40 HJAB O=C(Cc1coc2ccc3ccccc3c12)O[C@H](C(=O)NC1CC1)c1ccc(F)cc1 12921127 MKUMKXKLHFKINP-DEOSSOPVSA-N 417.436 4.831 0 40 HJAB Cc1ccc(CSCCNC(=O)[C@@H](NC(=O)c2cccs2)c2ccccc2)cc1 12945084 MBKPPIJTZXVTBO-NRFANRHFSA-N 424.591 4.577 0 40 HJAB COc1ccc2c(C)c(CCC(=O)Nc3cc(Cl)ccc3Cl)c(=O)oc2c1 12979180 VZISSSFYKPJLLT-UHFFFAOYSA-N 406.265 4.988 0 40 HJAB COc1ccc(OC)c(C(=O)Nc2nc(-c3cc4cc(OC)ccc4o3)cs2)c1 13006957 BWAXYNLHSWLVOL-UHFFFAOYSA-N 410.451 4.834 0 40 HJAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccc(Cl)cc1C 13075469 BZGIZLUVDKZEKD-UHFFFAOYSA-N 405.907 4.578 0 40 HJAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccco1 13685448 ZMDUNYAPCNUHKY-QGZVFWFLSA-N 414.461 4.769 0 40 HJAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)cc1 14553173 NUZQYGRBVBBPFY-KRWDZBQOSA-N 404.466 4.662 0 40 HJAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)Cc4ccccc4)ccc3O)oc2c1 17091082 YRWVACKRCWEFOF-UHFFFAOYSA-N 417.490 4.565 0 40 HJAB O=C(Nc1ccccc1Cl)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20241801 HTBIMBIDNCNPGX-UHFFFAOYSA-N 419.956 4.910 0 40 HJAB Cc1cccc(-n2ncc(C(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)c2C)c1 24691624 HSYCAFMNOSWBIX-SFHVURJKSA-N 400.482 4.650 0 40 HJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCC[C@@H]3c3cccnc3)cc12 24837848 PRYXYKQKBXBBOP-HXUWFJFHSA-N 420.513 4.966 0 40 HJAB COc1cccc(-n2cnnc2S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 25096823 ZIWQPTSJTSRDGU-LLVKDONJSA-N 423.325 4.702 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1ccc(F)c(F)c1 25248778 KBMGJETYWTURRJ-UHFFFAOYSA-N 403.860 4.752 0 40 HJAB COc1ccc(OC)c(CN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C2CC2)c1 25809129 LJBSJUQLKHJNAK-UHFFFAOYSA-N 413.473 4.720 0 40 HJAB CCCOc1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCCC2)c1 27794879 FRHCZAYOZVKAGK-XMMPIXPASA-N 410.558 4.831 0 40 HJAB biogenic Cc1nn(Cc2ccc(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)o2)c(C)c1Cl 28226933 HORMJFOHWZRVBU-JTQLQIEISA-N 404.923 4.628 0 40 HJAB Cc1ccc2c(C)c(C(=O)NC[C@H](c3ccccc3Cl)N3CCOCC3)oc2c1 28288026 WERYZPMMIBLIOF-HXUWFJFHSA-N 412.917 4.506 0 40 HJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)COc1ccc2ccc(=O)oc2c1 31335168 YGQKRNACUZKGHC-LBPRGKRZSA-N 406.265 4.698 0 40 HJAB Cc1ccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)N(CC(C)C)c3ccccc32)cc1C 32089651 JOSWXORBRASBDL-VWLOTQADSA-N 414.509 4.770 0 40 HJAB CC(C)Oc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 32285117 NDYVTPQACVLTBN-UHFFFAOYSA-N 410.495 4.527 0 40 HJAB CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)C1 32924992 VYASTSSGTGHMTF-LJQANCHMSA-N 413.587 4.558 0 40 HJAB NC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)c1 32938409 RCJGVFNRZAXJIX-UHFFFAOYSA-N 416.300 4.921 0 40 HJAB COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(Br)o1 32972133 MPMBRZUCEQYNNO-UHFFFAOYSA-N 406.301 4.955 0 40 HJAB CC(C)c1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 33088693 NVVWKRCUNIHCSL-UHFFFAOYSA-N 406.507 4.868 0 40 HJAB O=C(O[C@@H](C(=O)NCc1ccc(F)cc1)c1ccc2ncccc2c1)c1cccs1 35291612 LFSDICXGSUYRJA-OAQYLSRUSA-N 420.465 4.650 0 40 HJAB COc1ccc(OC)c(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 38834780 CYVZKHUIJGJDRL-UHFFFAOYSA-N 423.340 4.861 0 40 HJAB Cc1ccccc1CSCCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 39767490 NRJHIPAHNNPEAO-UHFFFAOYSA-N 417.018 4.910 0 40 HJAB CC(C)c1c(C(=O)NCc2ccnc(Oc3ccccc3)c2)cnn1-c1ccccn1 40110636 CYROFRQGTWJSMC-UHFFFAOYSA-N 413.481 4.508 0 40 HJAB COc1ccccc1OCc1ccc(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)o1 40134067 MXSKZTRQRHVHJD-UHFFFAOYSA-N 417.465 4.922 0 40 HJAB Cc1noc(-c2ccc(C(=O)Nc3ccc(F)c(NC(=O)OC(C)(C)C)c3)cc2)n1 40134603 ZUXFPWXDRMKDNT-UHFFFAOYSA-N 412.421 4.783 0 40 HJAB COc1cccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2-c2ccccn2)c1 41156013 MPJGZYWILUCNSV-UHFFFAOYSA-N 404.857 4.849 0 40 HJAB C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)c1nc(C(C)(C)C)no1 44109814 COXSMOBBIKDJEV-SECBINFHSA-N 408.325 4.768 0 40 HJAB Cc1ccccc1CSc1nnc2n(Cc3cccs3)c(=O)c3sccc3n12 45924480 BIEQJOFOSXQNOI-UHFFFAOYSA-N 424.576 4.816 0 40 HJAB CCOc1ccccc1N1CCN([C@H](C)c2nc3ccccc3n2C(F)F)CC1 57281283 QLPDZJQZBXWQKW-MRXNPFEDSA-N 400.473 4.713 0 40 HJAB CCN(CC)c1ncc(Cl)c(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1 65540558 GYCUSIRWZVJDMG-UHFFFAOYSA-N 416.909 4.660 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@@H](c3cncc(-c4cccc(C)c4)n3)C2)cc1 72359558 XKCSCJBYMPZQHO-JOCHJYFZSA-N 415.537 4.799 0 40 HJAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCN2C(=O)Cc2ccccc2)n1 72390724 IYWGJRRAHIXRJJ-HXUWFJFHSA-N 404.514 4.607 0 40 HJAB CCC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2CN(C)C[C@@H](C)c2ccccc2)C1 72395285 PAQLLIFNTBUBHQ-TZIWHRDSSA-N 418.585 4.914 0 40 HJAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N(CCc1ccccc1)Cc1ccccn1 77200802 SMCQLYCYGFPOJL-UHFFFAOYSA-N 414.484 4.506 0 40 HJAB COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC(=O)[C@H](C)c1ccccc1 95470996 NGYCXMLMLFCACX-QGZVFWFLSA-N 424.522 4.547 0 40 HJAB CC(C)Oc1ccc(NC(=O)c2cc(-c3cnc(-c4cccnc4)nc3)cn2C)cc1 96147645 FCPBDWYWEPMGOV-UHFFFAOYSA-N 413.481 4.584 0 40 HJAB COc1ccc([C@@H]2CC3=Nc4nonc4N[C@@H](c4ccccc4OC)C3=C(O)C2)cc1 102738153 NLIBSMCBAQQREL-SZNDQCEHSA-N 418.453 4.716 0 40 HJAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1Br 103718993 WVHHQRSEWBSYIF-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB C[C@@H]1CCCCN1Cc1cccc(NC(=O)CN2CCC(c3ccccc3)CC2)c1 141570249 LXIZWAHJCZGRDN-OAQYLSRUSA-N 405.586 4.879 0 40 HJAB CCOC(=O)c1cn(Cc2cccc(F)c2)c2cc(C(F)(F)F)c(F)cc2c1=O 199801373 BUEUMZOQJFVLJG-UHFFFAOYSA-N 411.326 4.524 0 40 HJAB O=C(COc1ccc2ccccc2c1Br)NCCCc1ccc(F)cc1 218904666 QZCTWBNHTPEIHV-UHFFFAOYSA-N 416.290 4.869 0 40 HJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCCc1ccccc1Cl 219466284 BPXRFGVAWYWIGC-UHFFFAOYSA-N 406.913 4.983 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 222399808 MXHQVRKPXMOADW-XMMPIXPASA-N 424.585 4.829 0 40 HJAB COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CC(C)C 222910882 QSFCQJAXFQPDKT-FGZHOGPDSA-N 406.555 4.509 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 223225175 RUWUFPJBQYAATG-OAQYLSRUSA-N 412.599 4.809 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 223638529 WNPQQPHQVBLIDM-XMMPIXPASA-N 408.586 4.960 0 40 HJAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)s2)cc1 223959371 XQOPZPBHNWHATK-PMACEKPBSA-N 408.552 4.587 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)cc1 224758793 QYCCQXCJNGECRJ-LJQANCHMSA-N 410.533 4.543 0 40 HJAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C 224901381 PEAHNNNIYMXBHV-OAQYLSRUSA-N 400.950 4.605 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)C(C)C)ccc2Cl)c1C 225200714 FUDZKSQJGLLUOY-HNNXBMFYSA-N 408.951 4.532 0 40 HJAB COc1ccc(-c2noc(CN(C)C(=O)CCc3c(Cl)cccc3Cl)n2)cc1 225364560 BPMRJDMVCMIDGN-UHFFFAOYSA-N 420.296 4.643 0 40 HJAB Cc1cccc(CN(C(=O)COc2ccccc2C(C)(C)C)[C@@H](C)C(=O)NC(C)C)c1 225514494 PXXOHKBNZUKFIK-FQEVSTJZSA-N 424.585 4.613 0 40 HJAB COC1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCC(C)CC1 225641003 CXXXIFKZWIMDQD-UHFFFAOYSA-N 402.579 4.865 0 40 HJAB Cc1ccc(C(=O)O)c(OCC(=O)N(Cc2ccccc2)Cc2ccc(Cl)cc2)c1 257283225 OXHRTGMNHYGBRQ-UHFFFAOYSA-N 423.896 4.954 0 40 HJAB O=C(NCc1cccc(F)c1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257297927 RJJJUTWDPYQERJ-UHFFFAOYSA-N 404.485 4.543 0 40 HJAB O=C(N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1)C1(c2ccccc2)CCCC1 257301662 RZHYXJPOZBEGDU-QFIPXVFZSA-N 414.549 4.764 0 40 HJAB Cc1c(Cl)ccc(NC(=O)[C@@H]2CSCN2C(=O)OCc2ccccc2)c1C 408737921 PZALHBTWVVOYRS-SFHVURJKSA-N 404.919 4.607 0 40 HJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)c(Cl)c2)cc1C 409098056 PGPHSAZIJFGQGT-UHFFFAOYSA-N 400.935 4.885 0 40 HJAB CCOc1cc(CNc2ccccc2CC)cc(I)c1OC 409114555 IGZTVNBQEKLYQH-UHFFFAOYSA-N 411.283 4.873 0 40 HJAB Cc1cc(C)c2[nH]c(C(=O)N(C)[C@@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)c(C)c2c1 585272966 LWDRRYOBWMKECO-PQNGQFLHSA-N 406.526 4.526 0 40 HJAB Clc1ccc(CN2CCC(Nc3ncnc4c3cnn4-c3ccccc3)CC2)cc1 644603126 WXTNZGIXQFYVAJ-UHFFFAOYSA-N 418.932 4.545 0 40 HJAB O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1cc2ccc(C(F)(F)F)cc2[nH]1 1148788018 ZSWKFEULGIDEKQ-OAHLLOKOSA-N 407.823 4.849 0 40 HJAB Cc1cc(Br)c(O)c(NC(=O)c2csc(NC3CCCCC3)n2)c1 1152517037 FSABANYBSKYPHN-UHFFFAOYSA-N 410.337 4.917 0 40 HJAB CCc1ccc2c(c1)CCN2C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 1669176581 AJJNVKNKCQNXRG-UHFFFAOYSA-N 401.466 4.735 0 40 HJAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1C 899403 WQKIBRFTEMJEKV-UHFFFAOYSA-N 423.325 4.528 0 40 HJAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(F)cc3)c2C(N)=O)C1 996451 ASFVAALVCLFLLJ-JBNJFFQFSA-N 400.519 4.789 0 40 HJAB Cc1cccc(C)c1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccncc1 1380010 QZNDFIVISRWAPA-QHCPKHFHSA-N 417.509 4.738 0 40 HJAB CCOc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2N=CNC2=N3)cc1 2267689 COKQPBUCEUGRFT-RPBOFIJWSA-N 422.488 4.890 0 40 HJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C(C)(C)C)cc2)N2C(=O)CCSC2=N1 2502035 IZRUMDCGZKWPHK-LJQANCHMSA-N 400.544 4.586 0 40 HJAB COc1ccc(S(=O)(=O)n2nc(C)c(Sc3ccc(Cl)cc3)c2C)cc1 2690555 MOSRFPNVLPVVGN-UHFFFAOYSA-N 408.932 4.550 0 40 HJAB FC(F)(F)COCc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 2788831 CJCVKOLSZQTTNP-UHFFFAOYSA-N 404.417 4.574 0 40 HJAB O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCCCCC1 3226660 XTFBSSPUXMWIBL-UHFFFAOYSA-N 411.342 4.720 0 40 HJAB O=C(OCC(=O)N1CCc2ccccc21)c1cc(-c2cccs2)nc2ccccc12 3253820 DDGJITYNTXISBT-UHFFFAOYSA-N 414.486 4.709 0 40 HJAB Cc1cc2occ(CC(=O)OCc3cc(=O)n4c(n3)sc3ccccc34)c2cc1C 3431792 UXJHQQIMXLOOJA-UHFFFAOYSA-N 418.474 4.558 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCc1ccccc1Cl 3505941 GSGMSAVWHRYMAQ-UHFFFAOYSA-N 424.913 4.589 0 40 HJAB CN(C(=O)COc1ccc(Cl)cc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4078428 XEYRGASIBRDPFU-UHFFFAOYSA-N 417.962 4.701 0 40 HJAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccc(Br)cc2)cc1 4350435 FGBVKXWLWDKMKY-QXUMQBBKSA-N 410.267 4.553 0 40 HJAB O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1ccc2c(c1)C(=O)OC2 4727358 RMORCKNVYALZDK-UHFFFAOYSA-N 417.505 4.842 0 40 HJAB CC(C)(C)NC(=O)CSc1nc2cc3c(cc2cc1Cc1ccccc1)OCO3 4857755 CGZMOGIHYFYBQH-UHFFFAOYSA-N 408.523 4.561 0 40 HJAB Cc1cccc(COc2ccccc2C(=O)OCC(=O)Nc2cc(C)ccc2C)c1 4881471 NKVXFFOMOKIDRO-UHFFFAOYSA-N 403.478 4.986 0 40 HJAB CCSc1ccccc1C(=O)N(CCN(C)C)c1nc2ccc(F)cc2s1 5242590 MHKWDFJUAUULLM-UHFFFAOYSA-N 403.548 4.756 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccc(F)c(Cl)c1 5357919 IVHCUBNEQSNKDN-UHFFFAOYSA-N 408.911 4.865 0 40 HJAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2cccc(C)c2)cc1 5752578 IWMRVEROPRRGMK-XMMPIXPASA-N 400.478 4.760 0 40 HJAB COc1cc(C)c(NC(=O)CCCOc2ccc(Br)cc2)cc1OC 6259093 JTBVUUJLXPWCMM-UHFFFAOYSA-N 408.292 4.572 0 40 HJAB Cc1ccc(-c2n[nH]c(SCC(=O)c3cc(C)n(-c4nccs4)c3C)n2)cc1 6879101 GLZOSRGIQKZIIG-UHFFFAOYSA-N 409.540 4.619 0 40 HJAB CCC[C@@H](C)NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 6944931 MBGNDTJIHDYQNU-LJQANCHMSA-N 416.587 4.619 0 40 HJAB COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc1 7408673 YEIMKIWWYAEPGW-QFIPXVFZSA-N 409.507 4.562 0 40 HJAB CCc1ccc(N2C(=O)C3=C(C2=O)[C@H](c2ccccn2)Nc2ccccc2S3)cc1 7496271 RATNNEAERGEOTH-NRFANRHFSA-N 413.502 4.730 0 40 HJAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1cc(Cl)c2c(c1)OCCO2 7778662 MEZNXGVUVOPDJW-UHFFFAOYSA-N 411.870 4.968 0 40 HJAB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cc(Cl)ccc1C 7939851 AGYHIUHHIIVBKS-UHFFFAOYSA-N 416.905 4.502 0 40 HJAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)CSc3nccn3C)nc12 8068108 SQUQBLUEPPKQQB-UHFFFAOYSA-N 408.552 4.664 0 40 HJAB C[C@@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1cc2ccccc2o1 8271858 BFTLZZVEULCHOO-QGZVFWFLSA-N 414.461 4.941 0 40 HJAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 8498339 JTQIXDZNEMGVAU-HNNXBMFYSA-N 409.869 4.986 0 40 HJAB COc1ccc2nc(SCc3nnc(-c4ccc(Br)cc4)o3)[nH]c2c1 9058196 YJERZPABGYDSGL-UHFFFAOYSA-N 417.288 4.676 0 40 HJAB CC(C)C(=O)Nc1ccc(C(=O)Nc2nnc(CSc3ccccc3)s2)cc1 9196929 WVNVCYHQZWELDV-UHFFFAOYSA-N 412.540 4.677 0 40 HJAB Cc1ccc([C@H](NC(=O)c2ccccc2CSc2ncn[nH]2)c2ccccc2)cc1 9578926 YGXZGNZETRKODQ-JOCHJYFZSA-N 414.534 4.925 0 40 HJAB CC(C)c1ccc(-c2noc(CN3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)cc1 12326003 ZTPJKFJBBDRJOH-FQEVSTJZSA-N 404.514 4.711 0 40 HJAB CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCc4ccccc4C3)c(O)n2n1 12341919 QXTBLPDFVOHTFK-LJQANCHMSA-N 424.957 4.860 0 40 HJAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(Cl)cc1 12414313 UYIBAUUOXGWYRM-UHFFFAOYSA-N 421.927 4.964 0 40 HJAB O=C(c1ccccc1Nc1ccccc1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 12522327 FBIIAMPPKOGIBQ-IBGZPJMESA-N 415.541 4.768 0 40 HJAB O=C(C1CCN(Cn2c(=S)oc3cc(Cl)ccc32)CC1)N1CCCCCC1 12543743 ZDIRWNLBDIJGGJ-UHFFFAOYSA-N 407.967 4.689 0 40 HJAB CCOc1c(Cl)cc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1OC 12819982 ITSVIIJKKDHZLY-CYBMUJFWSA-N 423.966 4.688 0 40 HJAB Cc1oc(-c2ccccc2)nc1CSCC(=O)N1c2ccccc2NC(=O)C1(C)C 13018773 GMBPAGPGGKCTQD-UHFFFAOYSA-N 421.522 4.647 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c(C)c1 13512090 IOQRDDFFTPPPRL-UHFFFAOYSA-N 422.510 4.835 0 40 HJAB Cc1nn(Cc2cccc3ccccc23)c(C)c1NS(=O)(=O)Cc1ccccc1 14226040 LSLZHBCJNQNIOK-UHFFFAOYSA-N 405.523 4.643 0 40 HJAB CC(C)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 16575911 ZSAWMBGJGWSQLQ-UHFFFAOYSA-N 424.522 4.628 0 40 HJAB COc1ccc(CN(Cc2ccc(C)c(C)c2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 19213911 ZEZWBGLBMDPEFD-ZEQKJWHPSA-N 420.553 4.868 0 40 HJAB Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 19748481 VYNAFMMBKLQYBL-CQSZACIVSA-N 422.495 4.525 0 40 HJAB CN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(COCC(F)(F)F)cc1 22431694 CVXQGIIZIZEENO-UHFFFAOYSA-N 406.857 4.822 0 40 HJAB Cc1cccc(N2CCN(C(=O)c3ccccc3SCc3cscn3)CC2)c1 22832845 JAOOEBHUABIZDW-UHFFFAOYSA-N 409.580 4.706 0 40 HJAB O=C(CCc1nc(-c2cccs2)no1)N1CCc2sccc2[C@H]1c1ccccc1 25900170 YLMPTKHXPDCOKQ-OAQYLSRUSA-N 421.547 4.967 0 40 HJAB COc1ccc([C@@H](NC(=O)Cn2c(C(F)(F)F)nc3ccc(C)cc32)C2CC2)cc1 35322698 CGDHKBZLAKJTDI-FQEVSTJZSA-N 417.431 4.640 0 40 HJAB CCc1cc(C(=O)NCc2ccccc2)c2c(C3CC3)nn(Cc3ccccc3)c2n1 36621620 CDUJTHLGQDFSQW-UHFFFAOYSA-N 410.521 4.849 0 40 HJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)cc2F)cc1OC 44899967 NTZGBMHGCXFYMJ-JTQLQIEISA-N 414.296 4.725 0 40 HJAB CCCc1noc(-c2cc(S(=O)(=O)Nc3ccccc3C(C)C)ccc2OC)n1 46020220 MZPCWFXLXRDCCF-UHFFFAOYSA-N 415.515 4.622 0 40 HJAB CCc1ccc([C@H](NCC(=O)Nc2ccnn2C2CCCC2)c2cccs2)cc1 57312426 AJKWLCSCQYIHTN-QHCPKHFHSA-N 408.571 4.940 0 40 HJAB Cc1ccc([C@H](C)NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1 57486648 QKDHONJGMLGUJG-INIZCTEOSA-N 404.445 4.530 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 57697410 JEYKSUWICJBJPX-UHFFFAOYSA-N 421.478 4.646 0 40 HJAB COc1ccc(S(=O)(=O)N(c2ccc3[nH]ccc3c2)[C@@H](C)CC(C)C)cc1OC 58202927 KRUXGOXUDDQVMH-INIZCTEOSA-N 416.543 4.815 0 40 HJAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 72352457 IYQXBHJSWMYSBF-SFHVURJKSA-N 401.535 4.799 0 40 HJAB O=C(N[C@@H](c1ccccn1)C1CCN(Cc2cccc(F)c2F)CC1)C1CCCC1 72399246 RYPPUBRNTDJGSZ-HSZRJFAPSA-N 413.512 4.620 0 40 HJAB Cc1ccccc1-n1ncc(C(=O)N[C@H](C)c2nc(C3CCCC3)no2)c1C1CC1 78935777 DLBPXPRCVVHOOM-OAHLLOKOSA-N 405.502 4.590 0 40 HJAB CC(C)c1cc(C(=O)Nc2ccc(I)cc2)nn1C(C)(C)C 84622465 BHHBPYDBPAUDEY-UHFFFAOYSA-N 411.287 4.618 0 40 HJAB CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)Nc2cccc(COCC3CC3)c2)C1 89661871 JIOOYPQMCNXFHM-QGZVFWFLSA-N 402.535 4.589 0 40 HJAB Cc1ccc([C@H](c2ccccc2C)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 96182532 DYLDLSPCMNBMAC-RUZDIDTESA-N 402.513 4.990 0 40 HJAB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc(Cl)c4)[C@H]3C2=O)cc1 102731162 WNDKNSZFOUQZQR-BHIFYINESA-N 418.880 4.700 0 40 HJAB Cc1ccccc1N1O[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]1c1cccs1 102861373 VXIZPLTWUXWILF-UFYCRDLUSA-N 424.909 4.761 0 40 HJAB CCn1cc(-c2cc(C(=O)NCC(C)(C)c3ccccc3F)c3ccccc3n2)cn1 141545275 OHAKWAPVXZTLGO-UHFFFAOYSA-N 416.500 4.965 0 40 HJAB C[C@H]1CN(Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)C[C@@H](C)O1 216839973 RVQGUQMHWMEQJX-OKILXGFUSA-N 401.304 4.867 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 222471521 KQWQSZOZBILHDN-YKSBVNFPSA-N 424.585 4.658 0 40 HJAB CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1O 222661185 HKZAHQXWKJGSJG-BVGQSLNGSA-N 403.935 4.819 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 222993051 UVBRDKJVAKDWPU-HXUWFJFHSA-N 410.558 4.522 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 223730578 GTGRZSUPOKPBFT-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223918579 MKJZRNNDNJRZGQ-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 224483507 GIQJMTLAPVINFO-MSOLQXFVSA-N 414.328 4.923 0 40 HJAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2OC)c1C 224563347 RNHJIJGQRRFIEC-FCHUYYIVSA-N 406.555 4.706 0 40 HJAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 224598522 YXTXYNPKKLQRCK-FCHUYYIVSA-N 404.539 4.881 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 224604852 GUMBMAYVQOOWTC-IQJJTXKVSA-N 402.494 4.853 0 40 HJAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2sccc2C)c1 224827289 GTSQGJGTFNGQCA-RTBURBONSA-N 411.552 4.646 0 40 HJAB CCOc1ccc(C2=NN3[C@H](c4cccnc4)Oc4c(OCC)cccc4[C@H]3C2)cc1 239611929 FFLALKUTFDIZSL-RDGATRHJSA-N 415.493 5.121 0 40 HJAB O=C(c1n[nH]c2ccccc12)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257215632 CQYSOXALAZHRIX-FQEVSTJZSA-N 404.445 4.648 0 40 HJAB CCN1CCN(C(=S)c2cccc(OCc3c(Cl)cccc3Cl)c2)CC1 408573750 KGVHUAYWNFVAIQ-UHFFFAOYSA-N 409.382 4.885 0 40 HJAB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1 408664575 RJJCXSIMRKGKOZ-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)N(C)C1=S 409038061 DKAXDGLLKCSPJF-JCMHNJIXSA-N 402.519 4.839 0 40 HJAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3c[nH]c4ccccc34)C2=O)cc1 409339280 GTKUHGHWIJWRJC-RGVLZGJSSA-N 419.506 4.966 0 40 HJAB Cc1ccccc1CC(=O)N1CCC[C@](O)(COc2cc(C)c(Cl)c(C)c2)CC1 2037912226 IASGDQRWOJBZFA-XMMPIXPASA-N 415.961 4.630 0 40 HJAB CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C)cc1 786353 ZURNYLLJOFOMBP-UHFFFAOYSA-N 409.559 4.566 0 40 HJAB O=C(COC(=O)c1ccco1)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 992954 MSQPANYNCORHBA-UHFFFAOYSA-N 419.216 4.845 0 40 HJAB CC1CCC(N(Cc2cc3cc4c(cc3nc2Cl)OCO4)C(=O)C2CC2)CC1 1339499 NCRBBWSXFIBZJY-UHFFFAOYSA-N 400.906 4.934 0 40 HJAB Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)Nc1ccc2c(c1)CCC2 1379086 HRWACIOWLRMXPM-JLHYYAGUSA-N 403.507 4.844 0 40 HJAB CCOC(=O)C1=NN(c2ccccc2)[C@H](c2cccs2)N1c1ccc(N(C)C)cc1 2297036 VTGZQTHEYVQPEY-JOCHJYFZSA-N 420.538 4.716 0 40 HJAB Cc1ccc(S(=O)(=O)c2c(N)n(CCC(C)C)c3nc4ccccc4nc23)cc1C 2404247 RVPKSJHAFZQRSR-UHFFFAOYSA-N 422.554 4.662 0 40 HJAB O=S(=O)(Nc1cc(Br)c2oc3c(c2c1)CCCC3)c1ccccc1 2475360 IWSYZLWTMXALHI-UHFFFAOYSA-N 406.301 4.875 0 40 HJAB Cc1ccc2c(c1)C1=C([C@H](c3cccc(F)c3)O2)[C@@H](c2cccs2)N2NC=NC2=N1 2707290 XHSCQTGZVIVAEB-YADHBBJMSA-N 416.481 5.000 0 40 HJAB COC(=O)CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12 3241827 FQSWZCAHLWOJFM-UHFFFAOYSA-N 423.683 4.765 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)c1 3260626 UITSEHWIUQOLAD-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CN(C)c1ccc([C@H](CNC(=S)NCc2ccco2)c2c[nH]c3ccccc23)cc1 3286979 VOWGOTPMUBTWAS-NRFANRHFSA-N 418.566 4.623 0 40 HJAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)o1 3379226 JEGMEXYBUOHWDP-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB CCn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1ccccc1 3507131 FWLSJWAPVPINDA-UHFFFAOYSA-N 408.346 4.764 0 40 HJAB COc1cccc(-n2c(SCc3ccccc3Cl)nc3c(c2=O)SCC3)c1 4358921 XTBKVACRYZOWAD-UHFFFAOYSA-N 416.955 4.835 0 40 HJAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3Cl)c3ccccn23)cc1 4585243 BBTHGWOZLRHVGG-UHFFFAOYSA-N 403.869 4.967 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)n2)cc1 4690961 BVNYEAYZYJEYSX-UHFFFAOYSA-N 400.328 4.767 0 40 HJAB CC(C)CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 4694502 GWKAZQKZPGPUOI-NRFANRHFSA-N 417.571 4.593 0 40 HJAB Cc1cc2oc(=O)c(CC(=O)NCc3ccco3)c(C)c2c2occ(C(C)(C)C)c12 4744400 NVOYNTKWEFDOTR-UHFFFAOYSA-N 407.466 4.905 0 40 HJAB CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(OC)cc2OC)cc1 5256227 AUZDDTMFZKTWGU-HSZRJFAPSA-N 421.497 4.541 0 40 HJAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 5478252 MTHAWFUADPPFOJ-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB COc1ccc(C(=O)CSc2cc(C)nc3c(-c4ccccc4)cnn23)cc1OC 5561323 LFKUZIDJEMHLNM-UHFFFAOYSA-N 419.506 4.697 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3nc4ccc(F)cc4s3)o2)cc1 5864336 QXVDADKCCBUBCU-UHFFFAOYSA-N 400.460 4.525 0 40 HJAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCC[C@H]1c1cccs1 6654200 CGPYTSCNBHSOTD-IBGZPJMESA-N 400.507 4.973 0 40 HJAB COc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)[nH]c2c1 8706981 XYBIFOIRGURNGV-UHFFFAOYSA-N 415.824 4.975 0 40 HJAB CSc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1 8845963 RCPHGORSHKUYMS-OAQYLSRUSA-N 414.486 4.655 0 40 HJAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2 9159901 XFQYMRNCZBUERV-NCXFKGEASA-N 403.544 4.654 0 40 HJAB Cc1ccccc1-c1nnc(SCc2ccc(I)cc2)o1 9198729 ROIJJKHSKXJTKT-UHFFFAOYSA-N 408.264 4.942 0 40 HJAB COc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)cc1 9602180 VGHVKPIYNRVJLH-UHFFFAOYSA-N 418.518 4.629 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCC(=O)c1ccc(Cl)s1 10166258 AFHFLCOQKPLPLK-UHFFFAOYSA-N 413.257 4.728 0 40 HJAB O=C(Oc1ccccc1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F 12521769 LZJRTPAITWNPEB-UHFFFAOYSA-N 401.266 4.524 0 40 HJAB Cc1ccc(CC(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)cc1 12974204 BAUOJRIRBMRTFG-UHFFFAOYSA-N 412.533 4.643 0 40 HJAB COc1ccccc1Nc1nnc(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)s1 13137785 YBJBOEXIGFMSDN-LXTVHRRPSA-N 420.604 4.712 0 40 HJAB CC[C@@H](Sc1nc(C)c(Cc2ccc(O)cc2)[nH]1)C(=O)Nc1ccc(Cl)cn1 13945128 NDRRTUPMSVZTKO-QGZVFWFLSA-N 416.934 4.572 0 40 HJAB CCOC(=O)c1ccc(Nc2c(-c3ccc(O)cc3)nc3nc(C)cc(C)n23)cc1 15414473 OJHBKZBJMHHPIO-UHFFFAOYSA-N 402.454 4.639 0 40 HJAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 15579959 IJXQKSAAZUPUMR-CCEZHUSRSA-N 420.476 4.522 0 40 HJAB Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSC2=NCCS2)cc1 17041204 XOWVUMLDUYHAJN-INIZCTEOSA-N 401.582 4.570 0 40 HJAB FC(F)Oc1ccc2ccccc2c1CNCc1ccc(CN2CCOCC2)cc1 17318269 VSFUJZIIEZFZMG-UHFFFAOYSA-N 412.480 4.563 0 40 HJAB COc1cccc(-c2nc3sccn3c2CN2CCC(n3nc(C)cc3C)CC2)c1 19656937 ANCGTSWKKJDWSN-UHFFFAOYSA-N 421.570 4.722 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3cc(C)ccc3C)cc2)cc1 20047969 BLXYIWNUFFGTFT-UHFFFAOYSA-N 408.523 4.594 0 40 HJAB COc1ccc(S[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1OC 20106254 RLBPZWOSRKFPLM-NSHDSACASA-N 400.327 4.808 0 40 HJAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cncc(Br)c1 20143525 KWTVVIPIOXXYPI-UHFFFAOYSA-N 407.651 4.502 0 40 HJAB COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC2=CCCCC2)C12CCCCC2 20734193 LRRZHFMLFFGJCO-HSZRJFAPSA-N 424.585 4.582 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2cc(C)ccc2C)cc1 22275444 AXXZENUOHPZGAL-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB Cc1ccnc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 22967295 WQECKSBXFSANDE-UHFFFAOYSA-N 414.309 4.866 0 40 HJAB CC(=O)Nc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 24355508 LXXWMYAPXYBTHG-YBEGLDIGSA-N 416.865 4.625 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccc1Br 24750253 YPIOMUHCGCCLLP-UHFFFAOYSA-N 401.285 4.760 0 40 HJAB Cc1ccc([C@H](CNC(=O)COc2ccccc2Cl)N2CCCCCC2)cc1 27584472 OJBRTTYWSCCFNE-NRFANRHFSA-N 400.950 4.761 0 40 HJAB CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 27637028 OJZIGWXCUFTRPE-UHFFFAOYSA-N 420.962 4.503 0 40 HJAB CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)C1=O 27830429 VCUSRIBEBYUVQW-YVLHZVERSA-N 417.870 4.673 0 40 HJAB COc1cccc(OCc2ccc(C(=O)Nc3cccc(Br)c3)o2)c1 28226483 QJWYIJATWNPZPJ-UHFFFAOYSA-N 402.244 4.882 0 40 HJAB CC(=O)Nc1cccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)c1 28268169 IDNBSCNTAFVIEO-UHFFFAOYSA-N 416.506 4.837 0 40 HJAB C[C@@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1 28804087 RWNRNLXYPZDQPD-CJFMBICVSA-N 423.560 4.863 0 40 HJAB COc1cc(CN(C(=O)c2cc3cc(C)ccc3[nH]2)C2CC2)ccc1OC(F)F 29610130 DZGSKIMPZICVNR-UHFFFAOYSA-N 400.425 4.891 0 40 HJAB Cc1cccc(C)c1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C 33089190 IWQBTQLIVMAINS-CYBMUJFWSA-N 411.299 4.750 0 40 HJAB COc1ccc(Cn2cnc3c4cc(C)ccc4n(Cc4ccccc4)c3c2=O)cc1 35400627 GRHMGPMNIMYQNP-UHFFFAOYSA-N 409.489 4.765 0 40 HJAB COC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccc(Br)cc1Cl 36108785 WXGUDZJZWDZKBV-UHFFFAOYSA-N 412.646 4.659 0 40 HJAB O=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1nc(-c2cccc(F)c2)cs1 40131841 JMKLLLGJECDMSS-UHFFFAOYSA-N 421.856 4.500 0 40 HJAB Cc1cc2oc(=O)cc(CN3CCN(c4cccc(Cl)c4)CC3)c2cc1Cl 54106003 QXJFRORCVSYWMB-UHFFFAOYSA-N 403.309 4.730 0 40 HJAB biogenic Cc1[nH]c2ccccc2c1[C@H](c1ccccn1)N1CCN(c2ccc(F)cc2)CC1 54114287 YTYZIQLASLKRKT-VWLOTQADSA-N 400.501 4.922 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3C)CC2=O)cc1Cl 59227211 KJRYLUVXCFGNSY-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2ccccc2)cc1 79188383 ZXRCVBICVMZDDN-QGZVFWFLSA-N 414.413 4.615 0 40 HJAB biogenic Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)cc1 136693578 QYPHUBUICLJTIY-XWIAVFTESA-N 410.901 4.826 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)c1 136693638 SGYKQRVHIGMOCR-VHSSKADRSA-N 410.901 4.826 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 222623896 UXDFGWRXMIPJIZ-PGRDOPGGSA-N 414.977 4.647 0 40 HJAB CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccc1Cl)c1ccccc1 223334461 ISPWWGUNUXMNIA-QHCPKHFHSA-N 406.913 4.746 0 40 HJAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COCc1ccccc1 224356924 AKNOWCVMKUVCTF-UHFFFAOYSA-N 404.466 4.623 0 40 HJAB O=C(CSCc1ccc(Cl)cc1)NCc1cccc(CN2CCCCC2)c1 224645452 BSMPRXUDZBYXSX-UHFFFAOYSA-N 402.991 4.876 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)C)cc1 225534453 CZDKDRSHHDXKMB-INIZCTEOSA-N 421.368 4.786 0 40 HJAB COC1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCC(C)CC1 225640856 NZDVDFYWVVDSBS-UHFFFAOYSA-N 402.579 4.721 0 40 HJAB O=C(CCc1ccc(Cl)c(F)c1)N1CCC(N2CCc3sccc3C2)CC1 225689157 PUBDPCGJYPTEOO-UHFFFAOYSA-N 406.954 4.523 0 40 HJAB O=C(N1CC[C@@H](Cc2cccc3ncccc23)C1)C1(c2cccc(F)c2)CCOCC1 257233572 GPTYQOVHWFCJCT-IBGZPJMESA-N 418.512 4.513 0 40 HJAB CC(C)NC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C(C)C)CC1 257247892 JBAXAQDFRBZNKB-UHFFFAOYSA-N 412.599 4.747 0 40 HJAB CCOc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)cc1OC 257321389 WBMCPVBAUQPTBB-NPNWRTNISA-N 415.574 4.749 0 40 HJAB COc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4cccc(C)c4)OC3=O)cc2)cc1 408974916 FQNLVTANGZZIBK-JCMHNJIXSA-N 413.429 4.567 0 40 HJAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1=O 409009177 BVTWMBXLSDICJI-UOEVCUDDSA-N 424.522 4.847 0 40 HJAB CCOc1cc(C)c(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1C(C)C 409103197 VDLKYNONJGELPV-VCHYOVAHSA-N 405.516 4.505 0 40 HJAB CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1Cl 409104720 HOTDNUWGAXWGJS-UHFFFAOYSA-N 414.962 4.909 0 40 HJAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2c(C)[nH]c3ccccc23)C1=O 409170585 WLDMSMGRIKGZHP-YBFXNURJSA-N 419.506 4.768 0 40 HJAB CCOc1ccc(C(=O)CCC(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 409201927 REVNWLSSWFXFDP-UHFFFAOYSA-N 406.507 4.909 0 40 HJAB Cc1ccc(-n2c(COc3cccc4ccccc34)nnc2SCCC(=O)O)cc1 924672 VZJUMZQNXNOYJG-UHFFFAOYSA-N 419.506 4.875 0 40 HJAB O=C(c1ccccc1Br)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 1364473 LWOBDRMIPXCQFF-GFCCVEGCSA-N 418.316 4.580 0 40 HJAB COc1ccc(CNC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)cc1 1377443 YULNLZDBJJPBLF-UHFFFAOYSA-N 413.568 4.603 0 40 HJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1Cc1ccccc1 3386066 NQSUVWRZMWETNC-UHFFFAOYSA-N 400.507 4.793 0 40 HJAB COC(=O)c1c(NC(=S)NC(=O)c2ccccc2C)sc2c1CCCCCC2 4615651 OCAHVQFYMXBQRU-UHFFFAOYSA-N 416.568 4.629 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@H]2c2cn(C)c3ccccc23)cc1 4734642 JLEPDRFJLLIHNH-VWLOTQADSA-N 409.489 4.671 0 40 HJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)ccc2Cl)cc1 4994073 YONBNLDRKRCDQN-UHFFFAOYSA-N 407.326 4.922 0 40 HJAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cccs3)N2C1=O 5065978 ZJLFXPOCNWXOIW-MAUKXSAKSA-N 412.536 4.530 0 40 HJAB Cc1cccc(OCc2nc3ccccc3n2C[C@H](O)COc2c(C)cccc2C)c1 5589741 WTAPALCONWWMNJ-NRFANRHFSA-N 416.521 4.980 0 40 HJAB CCOc1ccc(C2=Nc3ccc(F)cc3C(c3ccc(N(C)C)cc3)=NN2)cc1 6089814 POYJNJQDVSYZGM-UHFFFAOYSA-N 402.473 4.724 0 40 HJAB CCn1c(C[C@H]2C(=O)N(Cc3ccccc3)c3ccc(C)cc32)nc2ccccc2c1=O 6755215 JJOUVTSXJBNXLD-JOCHJYFZSA-N 423.516 4.598 0 40 HJAB CCc1nnc(S/C(=C\c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)O)[nH]1 7342558 PHFSBXHAKQHRFB-BOPFTXTBSA-N 415.902 4.817 0 40 HJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)c1 7425128 IWJGKACOXDYBQC-UHFFFAOYSA-N 420.465 4.982 0 40 HJAB O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCC(Cc2ccccc2)CC1 7947494 YVVYJOFSADDHJJ-UHFFFAOYSA-N 410.521 4.575 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)c1 8231925 FTGZDOYPJVUPIX-XMMPIXPASA-N 413.521 4.988 0 40 HJAB c1csc(Cc2nnc(SCc3nc(-c4ccsc4)no3)n2C2CC2)c1 8255972 DPYQRRYQBKBMIU-UHFFFAOYSA-N 401.542 4.669 0 40 HJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccn(Cc2ccccc2Cl)c1=O 8600318 YSYCPXCQBLAFSP-UHFFFAOYSA-N 422.790 4.701 0 40 HJAB COc1ccc(-c2nnc3ccc4c(C(F)(F)F)cc(C(F)(F)F)nc4n23)cc1 8857408 PKMYKNZUTPFFKO-UHFFFAOYSA-N 412.293 4.991 0 40 HJAB CCOC(=O)c1c([C@H]2COc3ccccc3O2)csc1NC(=O)Cc1ccccc1 8861335 CDQDYPVZMKGBNG-LJQANCHMSA-N 423.490 4.619 0 40 HJAB COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(F)cc2)c1 8867616 IMAZMNWOIJSLER-QFIPXVFZSA-N 415.420 4.686 0 40 HJAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3c(F)cccc3F)ccc21 8959015 XAETYHVPXSKYAW-UHFFFAOYSA-N 402.441 4.625 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(-c2cn3c(n2)SCC3)c1 9518919 OODGPYXVOTZXBP-UHFFFAOYSA-N 420.321 4.980 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)N[C@H](c1ccccc1)C1CC1 9875874 LKAJWBWYOSESIE-HXUWFJFHSA-N 419.447 4.827 0 40 HJAB O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 9903554 ZHOBMZMBNVRDHD-UHFFFAOYSA-N 412.536 4.608 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2Cl)c1 10112564 DRNUHQIIPAPXPU-OAHLLOKOSA-N 420.962 4.630 0 40 HJAB COc1cc(C)c(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1OC 11211918 PWXSNZZCVMZDDK-UHFFFAOYSA-N 420.469 4.850 0 40 HJAB CC(C)(C)Nc1c(C2CCN(C(=O)Cc3cccc(F)c3)CC2)nc2ccccn12 12087448 BVWZJUQWCRMHRD-UHFFFAOYSA-N 408.521 4.633 0 40 HJAB O=C(CSc1nnc(COc2ccccc2)o1)Nc1cc(Cl)cc(Cl)c1 12249353 OCIMRKFUJNOSRE-UHFFFAOYSA-N 410.282 4.686 0 40 HJAB ClC1(Cl)C[C@@H]1CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 12633719 XAJGWJFMXDTQIG-CYBMUJFWSA-N 420.321 4.949 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3F)C2)c2ccccc12 12767432 VXRGFDWEQRVTKJ-OAHLLOKOSA-N 424.447 4.618 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)c3)C2)c2ccccc12 12921461 PECSSUAGZAJXBJ-SFHVURJKSA-N 402.494 4.648 0 40 HJAB CCOC(=O)c1cc(OCc2csc(-c3ccccc3)n2)cc(C(=O)OCC)c1 12940559 RWSKDKMGAZVYOF-UHFFFAOYSA-N 411.479 4.743 0 40 HJAB CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 13036404 RBODANZUSHIBEF-GAJHUEQPSA-N 404.422 4.649 0 40 HJAB CCN(C(=O)CSCc1cc(=O)n2c(C)csc2n1)c1cccc2ccccc12 14093423 YRAWLLOFTZSDGW-UHFFFAOYSA-N 423.563 4.504 0 40 HJAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1csc(-c2ccccc2)n1 14189360 JAHQAOPJVNXUPW-UHFFFAOYSA-N 419.428 4.540 0 40 HJAB COc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)c1OC 15881819 XQDYGFGWABKIIZ-UHFFFAOYSA-N 423.469 4.695 0 40 HJAB Cc1cccc(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)c1C 15882899 RHSJIPDLQNIQCG-UHFFFAOYSA-N 411.299 4.528 0 40 HJAB O=C(Oc1ccccc1)c1ccc(COC(=O)c2ccc(Br)o2)cc1 16490621 WVTVYYHFYZXKIT-UHFFFAOYSA-N 401.212 4.618 0 40 HJAB Cc1ccc(C2=NCCNC3=C2[C@H](c2ccccc2F)N(c2ccccc2)C3=O)cc1 19874916 IVCFRPALKQANDY-VWLOTQADSA-N 411.480 4.569 0 40 HJAB COc1ccc(CCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1OC 20238825 RHOHSSYFWQFOHJ-UHFFFAOYSA-N 407.535 4.969 0 40 HJAB COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCCCC2)c(F)c1 21577070 QZPQEKFQHVXSTD-UHFFFAOYSA-N 407.283 4.839 0 40 HJAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccc(-n3cncn3)cc2)cc1 24352285 KAAMPETXPLQHDE-UHFFFAOYSA-N 400.438 4.711 0 40 HJAB C[C@H](NCc1ccccc1-c1ccc(CN(C)C)cc1)C(=O)Nc1ccc(Cl)cn1 25487458 SIUJKDYKPRCYHU-KRWDZBQOSA-N 422.960 4.580 0 40 HJAB CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N(C)C)cc(=O)c2c1 28289825 RCCKUWAXGYQHNX-NRFANRHFSA-N 420.553 4.686 0 40 HJAB CCOc1ccc(/C=C/C(=O)Nc2cccc(CN(CC)C(=O)C(F)(F)F)c2)cc1 32832772 QEXLSXURCRZFKU-JLHYYAGUSA-N 420.431 4.648 0 40 HJAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1Br 33438908 IHAZMJVJSJIDFN-UHFFFAOYSA-N 414.630 4.922 0 40 HJAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)Nc1cccc2ccccc12 33749908 GWNRYDCQQIBJKD-UHFFFAOYSA-N 403.429 4.868 0 40 HJAB CN(C(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1)C(c1ccccc1)c1ccccc1 40060239 LDDZULZZCADWJW-XMHGGMMESA-N 410.517 4.840 0 40 HJAB Cc1ccn2cc(C(=O)N(C)CCCCCc3cc(-c4ccc(F)cc4)n[nH]3)nc2c1 40156129 PXIVNPFBUKUFAM-UHFFFAOYSA-N 419.504 4.657 0 40 HJAB CCc1cccc2c(C(=O)[C@H](c3ccccc3)N3CCC(C(=O)OC)CC3)c[nH]c12 49560889 FPCXIQTYGUXJNB-QHCPKHFHSA-N 404.510 4.539 0 40 HJAB CCCOc1ccc(C(=O)Nc2cc(C)c(I)c(C)c2)cc1 57315565 CHGFHKDEBDASBD-UHFFFAOYSA-N 409.267 4.949 0 40 HJAB CCn1cc(-c2nc(-c3cccc(Br)c3)no2)c(=O)c2cc(C)ccc21 57354792 GXOXRRMUTIXVRK-UHFFFAOYSA-N 410.271 4.809 0 40 HJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(Cl)cc3F)n2)cc1 57486834 CAXKDCNKPSOSMN-UHFFFAOYSA-N 410.836 4.945 0 40 HJAB COc1ccc(Sc2ccc(NC(=O)CNC(=O)C3CCCC3)cc2Cl)cc1 58155449 PXCBSHODIZOWDL-UHFFFAOYSA-N 418.946 4.745 0 40 HJAB COc1ccc(CCCNC(=O)CC(c2ccccc2)c2ccccc2)cc1OC 65086464 NEQUXNZJGJQAQF-UHFFFAOYSA-N 403.522 4.975 0 40 HJAB C[C@@H](CCN1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1)c1ccccc1 72352156 POSIEXXACDQZOB-FQEVSTJZSA-N 420.601 4.597 0 40 HJAB C[C@]1(C(=O)Nc2ccc(N3CCCCC3)cc2)CCCCN1C(=O)c1ccccc1 96006671 DMRSJGQRTISHAA-RUZDIDTESA-N 405.542 4.700 0 40 HJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219035749 BJZWLRNGSUEYDR-HNNXBMFYSA-N 421.884 4.969 0 40 HJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 219304732 QVDLLAUHSVEFJO-INIZCTEOSA-N 413.905 4.741 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 223224518 IBFWOEKNAVCRKB-IBGZPJMESA-N 414.977 4.833 0 40 HJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 223549265 MILFGLJCPAMCOJ-NRFANRHFSA-N 424.585 4.565 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1C 223952917 DPDKVLXGBABCIO-HSZRJFAPSA-N 422.550 4.985 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 224552857 ZKRRPUDOSGZMSZ-QHCPKHFHSA-N 424.585 4.768 0 40 HJAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 224554532 BIPIOAIXNWLRHG-MSOLQXFVSA-N 401.944 4.982 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 224702990 IIAFGOSUBRAGJO-QFIPXVFZSA-N 414.977 4.771 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1C1CCCC1 225025166 NDIBJCNWMCINAV-LEWJYISDSA-N 423.973 4.836 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 225308925 DFWAVNRGTJSLRR-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB CCOc1ccc(-c2noc(CNC(=S)Nc3cccc(C(F)(F)F)c3)n2)cc1 225830000 FSOGKCCAWKGGBN-UHFFFAOYSA-N 422.432 4.641 0 40 HJAB CCCCC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Cl)cc2)c(C(=O)O)s1 257331995 XVGNECLENLNKHS-INIZCTEOSA-N 406.935 4.939 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCC3)ccc2Cl)cc1 408546302 DPMCPJSAYOOSIB-UHFFFAOYSA-N 420.962 4.902 0 40 HJAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C)c(Cl)c4)c3)C(=O)[C@H]2C1 408686074 RYOWJCCCQQIMLW-MOPGFXCFSA-N 408.885 4.746 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccccc3OC)nc2-c2ccc(C)cc2)cc1 408700006 YGUAPCCHJGYHIC-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB CCCCOc1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 408707784 FAHUJHVSSITSQH-UHFFFAOYSA-N 416.521 4.752 0 40 HJAB COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)ccc1OCc1ccc(F)cc1 409061571 FUVOMWIVQPXZPW-ODLFYWEKSA-N 401.459 4.858 0 40 HJAB O=C(CSCc1ccccc1Cl)N1N=C2CCCCC[C@H]2[C@@]1(O)C(F)(F)F 409178212 JVGHQJMRBYGAPW-CXAGYDPISA-N 420.884 4.603 0 40 HJAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cc(Cl)ccc3O)cc2)cc1 409182386 KWXPJJRGRQQWCP-UHFFFAOYSA-N 424.836 4.613 0 40 HJAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OC(C)C)C2=O)c1 409347716 QZEUKWBKUCXTHJ-NDENLUEZSA-N 424.522 4.766 0 40 HJAB Cc1ccc(OCc2nc(N3CCC(Cc4ccccc4)CC3)ncc2C(=O)O)cc1 585265750 QPQSKOLWSSIZQE-UHFFFAOYSA-N 417.509 4.521 0 40 HJAB Cc1cc(Nc2nc(C)c(C)s2)nc([C@@H]2CCCCN2C(=O)/C=C/c2ccco2)n1 585292603 PPUZDGNOASVJHS-BBVFFXRHSA-N 423.542 4.962 0 40 HJAB CO[C@H]1C[C@@H]2CN(C3CCC(F)(F)CC3)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242656 GHYCWVYBWVCKKQ-YVCBRDFCSA-N 403.517 4.821 0 40 HJAB COC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 727725 QECJOAHCFFMVCW-VIFPVBQESA-N 402.661 4.839 0 40 HJAB O=C(COc1ccc(Br)cc1Br)Nc1ccccc1Cl 943255 ZYMQNTJUQFQWBS-UHFFFAOYSA-N 419.500 4.883 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(O)cc2)N1Cc1ccccc1 2704285 MROGHFUXPQUFJX-NRFANRHFSA-N 417.848 4.897 0 40 HJAB CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccccc1OC 4064365 MSNAJPITWAXSRH-OPHFCASCSA-N 409.526 4.602 0 40 HJAB biogenic CCCn1c(SCC(=O)Nc2ccc(CC)cc2)nc2c(oc3ccccc32)c1=O 4852717 UYLQFECCEYCVCZ-UHFFFAOYSA-N 421.522 4.846 0 40 HJAB COc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3ccc(C)cc3c2=O)cc1 4936968 HZWAADYKRKBMGS-UHFFFAOYSA-N 401.437 4.737 0 40 HJAB CCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3cc(C)ccc3C)=NN12 5093650 DAOJQYAHOBJYCA-JOCHJYFZSA-N 405.542 4.668 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c1 5379955 VIUILAJMMBREIR-NRFANRHFSA-N 407.514 4.859 0 40 HJAB biogenic Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)nc1-c1ccc(CC(C)C)cc1 5577175 QFBPGWOTJNCCBZ-XWSJACJDSA-N 410.539 4.778 0 40 HJAB Cc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1S(=O)(=O)N1CCCCC1 6232142 WDOCCKTXYNDLHV-UHFFFAOYSA-N 414.571 4.854 0 40 HJAB COc1ccccc1[C@@H](CNc1ncnc2sc3c(c12)CCCC3)N1CCCC1 6510683 UUVYHGCOQBJRMN-GOSISDBHSA-N 408.571 4.828 0 40 HJAB O=C1CCc2cc(C(=O)CSc3nn(-c4ccccc4)c(=S)s3)ccc2N1 8542401 LRKQTNRORGOIPN-UHFFFAOYSA-N 413.549 4.523 0 40 HJAB Cc1ccc(Nc2nc(-c3cc(C)n([C@@H]4CCS(=O)(=O)C4)c3C)cs2)cc1 8780142 LAIVWTUACUWQGQ-QGZVFWFLSA-N 401.557 4.640 0 40 HJAB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccc2c(c1)OCO2 9175775 YYCFGWIZMYLCGG-UHFFFAOYSA-N 424.250 4.661 0 40 HJAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)c1 9383132 ZVVSQVSPMJCNDR-UHFFFAOYSA-N 415.323 4.649 0 40 HJAB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1cc(Cl)ccc1F 10970882 NZFKPHIKXBHHCL-UHFFFAOYSA-N 417.893 4.692 0 40 HJAB O=C(CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)N1CCCCC1 11410978 NGEOEESMHMPTTF-UHFFFAOYSA-N 418.522 4.785 0 40 HJAB C[C@@H]1CCCCN1C(=O)Cn1c(SCCOc2ccccc2)nc2ccccc21 12062257 CTADOPDSEXHTFN-GOSISDBHSA-N 409.555 4.608 0 40 HJAB O=S(=O)(c1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl 12361514 MGFGCBGISQWCOP-IBGZPJMESA-N 407.322 4.589 0 40 HJAB Cc1cc(C)c(NC(=O)CS[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)c(C)c1 12528463 GEMKOBJBGJCLEY-INIZCTEOSA-N 422.558 4.556 0 40 HJAB COc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)c1 13228220 VXEQPVXBLVIPRJ-UHFFFAOYSA-N 417.494 4.764 0 40 HJAB CCOC(=O)c1c(NC(=O)CSc2cccc3cccnc23)sc(C)c1C 16683001 FFGSFYILWHPFDZ-UHFFFAOYSA-N 400.525 4.821 0 40 HJAB O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCCN(C[C@H]2CC=CCC2)C1 19370347 HVAAQCQXBXDJRA-ZEVJAHDQSA-N 403.570 4.550 0 40 HJAB CCc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCC[C@@H](C)C2)cc1 20381455 KDAITILUCFXJPP-QGZVFWFLSA-N 424.566 4.875 0 40 HJAB CC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 20454131 UGGBROYYZSXTRR-OAQYLSRUSA-N 408.523 4.677 0 40 HJAB COc1cccc(-c2noc(COC(=O)c3cc(Br)ccc3Cl)n2)c1 24964566 XUSWPSQMMGRBAZ-UHFFFAOYSA-N 423.650 4.518 0 40 HJAB COc1ccc2cc([C@H](C)C(=O)NCc3ccc(C(=O)N4CCCC4)cc3)ccc2c1 25327049 XVTQLUPBPLMCEY-SFHVURJKSA-N 416.521 4.504 0 40 HJAB CCCSc1nnc(SC[C@H]2CSc3nnc(-c4ccccc4)n32)s1 26112391 OCGPNVANAZWMLN-GFCCVEGCSA-N 407.615 4.738 0 40 HJAB CCc1ccc(OCc2ccc(C(=O)Nc3ccc(Br)cn3)o2)cc1 28229644 OYMTYROYVYGWCR-UHFFFAOYSA-N 401.260 4.831 0 40 HJAB CC1CCN([C@H](CNC(=O)c2ccc(Br)cc2)c2cccs2)CC1 28291508 UVAISRURWBBVMN-QGZVFWFLSA-N 407.377 4.714 0 40 HJAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1cccc(OCc2cccs2)c1 32914323 KVTCGJCTQIDEJB-UHFFFAOYSA-N 406.507 4.606 0 40 HJAB O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)[C@H]1CS[C@H]2c3ccccc3C(=O)N12 36569588 RMYATVOSYYIBBE-PBHICJAKSA-N 412.820 4.567 0 40 HJAB CC[C@@H](NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)c1ccc(OC)cc1 36617008 VBXVQPIKVXEKSQ-GOSISDBHSA-N 420.538 4.895 0 40 HJAB Cc1ccc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)nc1 40143857 BANUCBIRMVNYQU-UHFFFAOYSA-N 402.223 4.731 0 40 HJAB Cc1cc(C)c(N2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)c(C)c1 54225089 DOKLXLLQOFBMQZ-UHFFFAOYSA-N 406.357 4.679 0 40 HJAB Fc1ccc(Cn2nnnc2CN(Cc2ccccc2)Cc2ccccc2Cl)cc1 57614040 BDSKTVLIOVBKHJ-UHFFFAOYSA-N 421.907 4.716 0 40 HJAB C[C@@H]1CCCCN1Cc1cccc(NC(=O)C2CN(Cc3ccc(Cl)cc3)C2)c1 57776092 RYRHRYSOOYIWDJ-GOSISDBHSA-N 411.977 4.785 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2SC[C@@H](O)c2ccccc2)cc1C 58157579 ZRPUAWLQTYNNPR-OAQYLSRUSA-N 413.564 4.930 0 40 HJAB Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3ncnc4sc(C)c(C)c34)C2)cc1 58224202 KDDWHFKWLUSIKE-KRWDZBQOSA-N 409.559 4.655 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 58297978 JIXXECAYDBIUIV-MRXNPFEDSA-N 420.900 4.820 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)cc1C 59227373 ZSRIJAOLDRYPLH-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB O=c1c2ccccc2c(-c2nc(-c3ccccc3Cl)no2)nn1-c1ccccc1 64949548 UNORJYCOEQZISI-UHFFFAOYSA-N 400.825 4.756 0 40 HJAB CN(C)c1nc2sc(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)cc2s1 65043933 ODKRNDOVYPYVQQ-UHFFFAOYSA-N 418.544 4.863 0 40 HJAB O=C(CSc1nccn2nc(-c3cccs3)cc12)Nc1ccccc1Cl 67290063 QJXKJPHNFFABFF-UHFFFAOYSA-N 400.916 4.842 0 40 HJAB CCc1cc(=O)n2nc(N[C@H](CC(C)C)c3ccccc3OCC(C)C)sc2n1 72307348 XWEZWDVRIFFLGZ-GOSISDBHSA-N 414.575 4.948 0 40 HJAB O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cccc2nccnc12 72314690 OWNSRYXYEVKJJA-IBGZPJMESA-N 402.841 4.868 0 40 HJAB COc1cccc(Cc2cccc(C3CCN(C(=O)Cc4ccccc4)CC3)n2)c1 72349018 HXRAOPFXSRMHDH-UHFFFAOYSA-N 400.522 4.630 0 40 HJAB COC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)[C@@H](C)c1ccccc1 80344961 DMRRQZOCACEOCW-FTNBBQJZSA-N 406.309 4.558 0 40 HJAB Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1cccc2[nH]ccc12 84016916 VWKRLPFDZQKAOF-UHFFFAOYSA-N 413.403 4.565 0 40 HJAB Cc1nc([C@@H](C)N(C)Cc2nc3ccccc3c(=O)[nH]2)oc1-c1ccc(Cl)cc1 89557946 NUUJGWHOGKBUHX-CQSZACIVSA-N 408.889 4.733 0 40 HJAB C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)c1cn(-c2ccc(F)c(Cl)c2)nn1 95921829 BSAXDUNXYUFZPF-SNVBAGLBSA-N 413.758 4.729 0 40 HJAB CC(C)Oc1cccc(CCCNC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 219684429 QWKKBXVSXQZECB-INIZCTEOSA-N 420.347 4.753 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 222662858 KMEDASAXGIVSCN-LJQANCHMSA-N 424.585 4.695 0 40 HJAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223472055 VBQHFHKUNWCKCT-XMMPIXPASA-N 404.485 4.540 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1cccnc1 223479382 ACOAHSATCUWAGL-PKTZIBPZSA-N 417.582 4.956 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1ccccn1 223558018 PSCQEFCCERNXMU-PKTZIBPZSA-N 417.582 4.956 0 40 HJAB CCCC[C@H](CC)CNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 223747548 LLQGABQPANOVIO-IBGZPJMESA-N 416.587 4.599 0 40 HJAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)s2)cc1 224177018 KYPMBCQMWTYWGC-AWEZNQCLSA-N 411.527 4.917 0 40 HJAB COc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccc(-c2ccccc2)cc1 224214931 APZUGAKKCZLQKD-XMMPIXPASA-N 417.505 4.850 0 40 HJAB Cc1ccc(C)c(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)c1 224288328 HOHGHHUZBCNMSR-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC)c(Cl)c1 224972981 WFDFLIMQJMLWRE-VQTJNVASSA-N 412.946 4.742 0 40 HJAB Cc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224993646 QSQSJENBXCKDJQ-QFIPXVFZSA-N 420.597 4.836 0 40 HJAB Cn1nc(-c2cc(Cl)ccc2Cl)nc1SCC(=O)Nc1ccc(F)cc1 226822670 CHAQYVKTJVSEBP-UHFFFAOYSA-N 411.289 4.659 0 40 HJAB CCCCOc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1OC 408534247 UMHMMYSRWGEZIK-UHFFFAOYSA-N 421.287 4.676 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1NC(=O)c1ccc(C)cc1 408557080 KVAYYGTYNGMVTP-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB O=C(NC1CCCCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 408626115 LXDVQEZEBOYTIU-QHCPKHFHSA-N 412.555 4.897 0 40 HJAB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2cc(Cl)ccc2Cl)c1 408653702 AJTJBAJMWOHJAG-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CCCCN1C(=O)S/C(=C\c2cc(OCC)c(OC)cc2Br)C1=O 409061655 ZCUDGJXRSDESIN-DHDCSXOGSA-N 414.321 4.693 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(Cl)cc1 409084330 CPQIXKGYVSCPRY-UHFFFAOYSA-N 400.935 4.985 0 40 HJAB Cc1ccc(OCCC(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c(C)c1 518217962 IMWDASYYXHKBHF-FQEVSTJZSA-N 404.510 4.924 0 40 HJAB Cc1nn(-c2ccc(Cl)cc2)c2nc3c(c(N)c12)C(=O)C[C@@H](c1ccccc1)C3 618257527 ZBVBZSCMDGXOOA-HNNXBMFYSA-N 402.885 4.877 0 40 HJAB Cc1cc2cc(CN(C(=S)NCc3ccco3)C3CCCCC3)c(=O)[nH]c2cc1C 878858 YIZALKFNVNOPJJ-UHFFFAOYSA-N 423.582 4.947 0 40 HJAB COc1ccc(Br)c2c1-c1nc(NC(=O)c3cccc(F)c3)sc1C2 981622 RFLYDJXUUUDJRV-UHFFFAOYSA-N 419.275 4.877 0 40 HJAB COc1ccc2c(c1)c(CC(=O)NC1CCCC1)c(C)n2C(=O)c1ccc(Cl)cc1 1077559 QNTSPVCOCABCSM-UHFFFAOYSA-N 424.928 4.902 0 40 HJAB CCOc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(OC)cc3)no2)C1 1362788 YYSLZNDCWJHDNS-QGZVFWFLSA-N 422.485 4.555 0 40 HJAB Cc1ccc2c(c1)cc(CN(Cc1ccccc1)C(=O)Nc1ccccc1)c1nnnn12 1376914 QGWSOMVCGAFBGU-UHFFFAOYSA-N 422.492 4.820 0 40 HJAB O=C(COC(=O)c1ccccc1Br)Nc1cc(Cl)cc(Cl)c1 1934468 PNOYZYYZJQGALX-UHFFFAOYSA-N 403.059 4.551 0 40 HJAB Cc1c(C)c2ccc(OCc3ccccc3)c(I)c2oc1=O 2364303 WTKZQERIESCYLF-UHFFFAOYSA-N 406.219 4.593 0 40 HJAB CCCCCn1c(N)c(S(=O)(=O)c2ccc(C)c(C)c2)c2nc3ccccc3nc21 2436235 GTVLWBUWOGVDCV-UHFFFAOYSA-N 422.554 4.807 0 40 HJAB COc1ccccc1NCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2887733 KSIOZEUGMXTECN-UHFFFAOYSA-N 421.444 4.812 0 40 HJAB CCOc1ccc2c(c1)SC1=N[C@](c3ccc(C)cc3)(C(F)(F)F)NC(=O)N12 3198295 UEWCSHILODWYIQ-GOSISDBHSA-N 407.417 4.800 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2C)c1 3236287 XJFXJRUKEFAQQB-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1 4279906 LARYQKMKRIQRRI-DEOSSOPVSA-N 403.478 4.500 0 40 HJAB Cc1ccc(-n2nnnc2-c2cnn(-c3ccccn3)c2-c2cccc(Cl)c2)cc1 4406314 BMQAHEJOQLKIDW-UHFFFAOYSA-N 413.872 4.539 0 40 HJAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3C)c3ccccc32)cc1C 4555139 YLHZUMNJDBYLSB-HHHXNRCGSA-N 413.517 4.928 0 40 HJAB CCCN(CCC)C(=O)c1cnn(-c2ccccc2Cl)c1NC(=O)c1ccco1 4723225 KAMHBCQIMOCNIA-UHFFFAOYSA-N 414.893 4.633 0 40 HJAB CC[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccc(Br)cc1 6510118 ISYFOKISQKEAAH-AWEZNQCLSA-N 405.317 4.950 0 40 HJAB C#CCn1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c2ccccc21 6630290 QPGWYTZSUPZVPN-UQRBVYKBSA-N 415.518 4.907 0 40 HJAB Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)cc1 7699715 QUJSCQVIGJITBG-HXUWFJFHSA-N 403.450 4.664 0 40 HJAB OC[C@@H]1CCCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)C1 8177910 RKNBVENQMLSADA-MRXNPFEDSA-N 402.523 4.629 0 40 HJAB Cc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 8746764 IFQYRAGSTGKNKL-UHFFFAOYSA-N 412.433 4.553 0 40 HJAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1cc(F)ccc1F 9119912 XWHFAUBSIGUNME-UHFFFAOYSA-N 422.460 4.642 0 40 HJAB O=C(OCc1coc(-c2cccs2)n1)C1CCN(c2nc3ccccc3o2)CC1 10654283 WITOTLRYMRMWOO-UHFFFAOYSA-N 409.467 4.504 0 40 HJAB O=C(NCCCCOc1ccc(Cl)cc1)c1ccc(F)cc1Br 11085004 IEXUHYFGHZMOIS-UHFFFAOYSA-N 400.675 4.831 0 40 HJAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1C(C)=O 11692267 GYQFWILJIYUNQM-AZUAARDMSA-N 417.292 4.510 0 40 HJAB biogenic COCc1ccc(C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)cc1 12087460 YLIOLLWDSDVMDA-UHFFFAOYSA-N 420.557 4.711 0 40 HJAB Cc1sc2nc(-c3cccs3)nc(N3CCN(C(=O)c4ccco4)CC3)c2c1C 13117406 CMISFBBTVJXYLW-UHFFFAOYSA-N 424.551 4.592 0 40 HJAB COc1cc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)ccc1OC(F)F 13137306 WEXKDJRNNZNLPT-XYOKQWHBSA-N 404.800 4.604 0 40 HJAB CCCCN1C[C@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CC1=O 14095556 KVRVWBGHGWYAKB-QGZVFWFLSA-N 411.933 4.885 0 40 HJAB CS(=O)(=O)Nc1ccc(-c2csc(Nc3cccc(Br)c3)n2)cc1 16941121 QCOYUHMSXCQLSK-UHFFFAOYSA-N 424.345 4.688 0 40 HJAB Cc1ccc([C@@H](NC(=O)CCn2nc(C(F)(F)F)cc2C)c2ccncc2)cc1C 19213533 GLPSSDLVVAJVOJ-NRFANRHFSA-N 416.447 4.518 0 40 HJAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C2CCC2)C1 19528429 NPXVZRPDQMNEFO-DEOSSOPVSA-N 410.583 4.503 0 40 HJAB COc1ccc(Cc2cc(C)nc(C3CCN(C(=O)[C@@H]4CC45CCC5)CC3)c2)cc1 19691742 CLOKAOMBQCJDQC-QHCPKHFHSA-N 404.554 4.886 0 40 HJAB CCCN1CCC[C@@](O)(c2nc(C)c(CCOc3ccccc3Cl)s2)CC1 19705438 LBRJEIZTYULPJM-NRFANRHFSA-N 408.995 4.810 0 40 HJAB COc1ccc(OC)c(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)O)c1 19894590 ZGLFICAXSBNKLR-UHFFFAOYSA-N 404.875 4.851 0 40 HJAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)cc1Cl 20030014 UKEHALRTLPBKRH-LLVKDONJSA-N 418.740 4.541 0 40 HJAB O=C(NCc1ccc(F)cc1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 22503284 NGUVGILQEVIUEV-UHFFFAOYSA-N 403.457 4.740 0 40 HJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 22523192 DEMIEZKWEOMBPV-HXUWFJFHSA-N 420.475 4.828 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)Cn1cnc2c(-c3ccccc3)csc2c1=O 23126342 SVFZCLLCHLKQJC-UHFFFAOYSA-N 409.898 4.726 0 40 HJAB O=C(CSC(c1ccccc1)c1ccccc1)NCc1ccc2c(c1)OCCO2 23481600 BTXVQFWTOQBEJN-UHFFFAOYSA-N 405.519 4.597 0 40 HJAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)CS2 23682267 BXBCNPUTASFPGG-OXJNMPFZSA-N 402.903 4.525 0 40 HJAB Cc1cccc(C)c1OCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCCC1 27664521 DQYDSSHBHBBDLH-NRFANRHFSA-N 400.950 4.679 0 40 HJAB COc1ccc(CN(C)C(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1OC 30864086 KHWXFCXSRWCSQY-UHFFFAOYSA-N 416.521 4.539 0 40 HJAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1cccc(Br)c1 32118579 GHSPYBQKWHFQHG-UHFFFAOYSA-N 420.115 4.588 0 40 HJAB COc1ccc(NC(=O)[C@@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 32850997 RRKQABRAPFWDJJ-DEOSSOPVSA-N 415.493 4.614 0 40 HJAB CCC(CC)(Cc1nc2ccccc2s1)C(=O)OCc1csc(NC(C)=O)n1 32913703 COUVQOWFCFXCOP-UHFFFAOYSA-N 417.556 4.804 0 40 HJAB COc1ccc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)cc1OC 33262430 BMQYAMSYMBXMQQ-UHFFFAOYSA-N 406.467 4.503 0 40 HJAB CC(C)(C)c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 33481057 GTMUVGSOTHIHMG-LTGZKZEYSA-N 413.481 4.867 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38853754 CTNAHFZLZHXWFE-UHFFFAOYSA-N 421.324 4.615 0 40 HJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1 40114387 PZVIZUNTHIUAQB-AWEZNQCLSA-N 421.324 4.944 0 40 HJAB COc1ccc(OC)c(NC(=O)COc2ccc(C(C)C)cc2Br)c1 40942578 FYDAPOLOYJKMCA-UHFFFAOYSA-N 408.292 4.607 0 40 HJAB O=C(CCOc1cccc(Cl)c1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 48362271 BPCAXNWEJAGHLZ-OAQYLSRUSA-N 409.917 4.548 0 40 HJAB O=C(N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)C12CC3CC(CC(C3)C1)C2 58162959 QOMWWDRQXJVYFC-ICFVPDRFSA-N 409.505 4.798 0 40 HJAB Cc1ccc(-c2nc(CS(=O)(=O)c3nc(C)c(C)n3C3CCCCC3)co2)cc1 58423755 CWANPVFHKJJSMK-UHFFFAOYSA-N 413.543 4.942 0 40 HJAB O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1csc(-c2ccco2)n1 65835505 YRWCGYDPGRPIFV-UHFFFAOYSA-N 404.373 4.860 0 40 HJAB O=C(c1cnc2ccc(Cl)cc2c1NCc1cccc(Cl)c1)N1CCOCC1 67288373 TZWPEMFEHQCQFA-UHFFFAOYSA-N 416.308 4.626 0 40 HJAB COCc1cc(CN2CCC[C@@H]2c2ccc(-c3cnn(C)c3)cn2)ccc1OC(C)C 72374116 FYSDGIAADJVPTM-XMMPIXPASA-N 420.557 4.753 0 40 HJAB O=C(c1cc(-c2ccco2)on1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177403 UKEPMPCRAIMREZ-ZDUSSCGKSA-N 424.457 4.612 0 40 HJAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc5c(c4)OCO5)sc3n2)cc1 82086907 ICFWODXVHXWHBI-UHFFFAOYSA-N 419.462 4.535 0 40 HJAB COc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc23)cc1 96052627 VUVMBBSDCHUKNJ-OAQYLSRUSA-N 406.570 4.631 0 40 HJAB CCOc1c(Cl)cc(/C=C2/N=C(c3ccccc3OC(F)F)OC2=O)cc1OC 97987617 DHWBWGBHSKEIGL-NTEUORMPSA-N 423.799 4.693 0 40 HJAB COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3nc(C)nn32)cc1OC 102703395 NPVVZUYMCFCMLG-GAJHUEQPSA-N 416.481 4.669 0 40 HJAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 216330007 UHIQKWGMOWVVRR-UHFFFAOYSA-N 413.521 4.641 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1Cl 222859057 YBYFFKSNAIADES-INIZCTEOSA-N 402.922 4.527 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222896322 DYEQKZXQDVDBAF-GOSISDBHSA-N 412.549 4.653 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12 223147082 LTMPRQFFVQRMIQ-HSZRJFAPSA-N 422.956 4.979 0 40 HJAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)c(C)c3)c2)cc1 224292397 DZLMTLNVSBJRGB-UHFFFAOYSA-N 419.477 4.930 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224307934 HATXGERZQAHIHC-IBGZPJMESA-N 412.549 4.510 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3cccc(F)c3)ccc2C)cc1 224308163 LDSIPWIWRQEYMW-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB CCc1ccc(NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 225983899 QHGYYWYMFAWNTR-UHFFFAOYSA-N 422.550 4.564 0 40 HJAB CC1CCN(c2ccc(N)cc2C(=O)Nc2c(F)cc(F)cc2Br)CC1 226324771 CAWBHXCFGVHRGF-UHFFFAOYSA-N 424.289 4.798 0 40 HJAB COc1cc(C)ccc1CN1CCC(c2cncc(Nc3ncccc3C)n2)CC1 257208512 BMLSWUDPOGMMQM-UHFFFAOYSA-N 403.530 4.620 0 40 HJAB O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1Oc1ccc(Cl)cc1 257263610 LQSXCQBBXLIFPX-UHFFFAOYSA-N 422.289 4.904 0 40 HJAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 408644310 SLHQFJFTLHMFOO-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1NC(=O)CC 408699792 ZIUZJFUHQSWZBN-UHFFFAOYSA-N 417.314 4.541 0 40 HJAB Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c1 408702653 NEEGBRMQEZJLPE-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB COc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1Br 409005551 FSTJRPHNMIGHDK-ATVHPVEESA-N 418.312 4.737 0 40 HJAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)ccc2C)cc1 409106026 MDCOBCQJQROZGQ-UHFFFAOYSA-N 400.935 4.831 0 40 HJAB CCCOc1c(I)cc(CNc2ccc(F)cc2)cc1OC 409201100 VCQMKVIKSWRFLG-UHFFFAOYSA-N 415.246 4.840 0 40 HJAB O=C1CCCc2cc(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)ccc2N1 542357842 CUZFTSKXGMTLJQ-UHFFFAOYSA-N 415.371 4.888 0 40 HJAB O=C(NCc1ccc(OCc2ccccc2F)cc1)c1cc(-c2ccccc2)on1 1127784139 JPRVHMSWDPOGEX-UHFFFAOYSA-N 402.425 4.990 0 40 HJAB CC(C)(C)[C@H]1CCc2c(sc3ncnc(SCC(=O)N4CCCCC4)c23)C1 1223121 WXJOACUBKBNLCB-AWEZNQCLSA-N 403.617 4.947 0 40 HJAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1 2264034 ZFWMWIUCNBPDOG-MHECFPHRSA-N 412.264 4.535 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(F)cc2)N1Cc1ccco1 2417280 QCTACVLJWYKVNI-LJQANCHMSA-N 409.800 4.924 0 40 HJAB O=C(OCc1nnc(-c2ccccc2)o1)c1ccccc1C(=O)c1ccc(Cl)cc1 2618507 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6178596 SHEMGYLCEUOHRO-UHFFFAOYSA-N 408.527 4.966 0 40 HJAB CN(Cc1ccc(Cl)cc1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 6626165 PSRWAJDGZUESIH-UHFFFAOYSA-N 402.885 4.860 0 40 HJAB CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(Cl)c3ccccc23)cc1 6642990 IPXCBMAQAPBVPZ-UHFFFAOYSA-N 410.901 4.993 0 40 HJAB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OCC 6959644 NWDRUCGXDGZKHP-WOJGMQOQSA-N 414.889 4.539 0 40 HJAB Cc1cc(NC(=O)[C@H](C)Sc2nc(Nc3ccccc3)c3ccccc3n2)no1 7185328 YFZZFDDUCFZSMI-AWEZNQCLSA-N 405.483 4.789 0 40 HJAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1nc2ccccc2s1 7473320 DXDOLGIBXNMBJW-VYBOSXCSSA-N 411.571 4.592 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 7882254 OBBJFFDCCVVUPL-FQEVSTJZSA-N 422.525 4.642 0 40 HJAB C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NC[C@H]1CCCO1 8133066 CNANDYCGCCJFMQ-VQIMIIECSA-N 407.539 4.520 0 40 HJAB Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H]1COc2ccccc2O1 8852266 CECYAOXBTSUXSB-MRXNPFEDSA-N 408.310 4.927 0 40 HJAB C[C@@H](C(=O)N[C@H](CO)Cc1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9051717 NSOSKLPLTIHRDN-BEFAXECRSA-N 406.913 4.798 0 40 HJAB COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2F)cc1 9184918 DKHRSDZJRGEVIZ-UHFFFAOYSA-N 416.452 4.831 0 40 HJAB O=C(CSc1nnc(Cc2ccccc2)o1)N[C@H](c1ccccc1)c1cccs1 9477257 COZAKLVQWVRNGN-OAQYLSRUSA-N 421.547 4.720 0 40 HJAB CSc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1C 9810096 QDLATBLCWBWIES-GFCCVEGCSA-N 418.975 4.977 0 40 HJAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1cccc(C(F)(F)F)c1 10224564 VECAZTCGBVRDGW-CZUORRHYSA-N 424.850 4.585 0 40 HJAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)c1 10356815 SKCSUOZJTIFCSE-SFHVURJKSA-N 402.560 4.528 0 40 HJAB Cc1ccc(N2C[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1F 11665894 MCVKFUJQTBPUCW-ZDUSSCGKSA-N 405.351 4.723 0 40 HJAB Cc1ccc(Nc2nc(Nc3cccc4ccccc34)nc(N3CCOCC3)n2)cc1 12235124 YLWBQVGWLIYVRY-UHFFFAOYSA-N 412.497 4.657 0 40 HJAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1F 12322842 BLTUCKXNHQHCHY-UHFFFAOYSA-N 414.502 4.739 0 40 HJAB O=C1C[C@H](c2cccs2)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 12374971 ISTOQGYIRGDLEN-GFCCVEGCSA-N 409.941 4.770 0 40 HJAB O=C(CCCn1nc(-c2ccc(F)cc2)ccc1=O)Nc1cc(Cl)ccc1Cl 12440971 ASRDHECWVAFDTF-UHFFFAOYSA-N 420.271 4.775 0 40 HJAB CC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c1C 12792786 ALAFDBIYIPEYRK-UHFFFAOYSA-N 420.366 4.549 0 40 HJAB O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1nc(-c2ccccc2)no1 12888680 LNSYBCSUYPVOIL-UHFFFAOYSA-N 420.881 4.877 0 40 HJAB O=C([C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1)N1CCCC1 13165355 UZYGPZSWXJBNLH-HXUWFJFHSA-N 404.539 4.601 0 40 HJAB CC[C@H](C(=O)Nc1cccc2ccccc12)N(c1cccc(Cl)c1)S(C)(=O)=O 13711993 IIICNDSVGQBFST-HXUWFJFHSA-N 416.930 4.677 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 14007089 JHVRVJFXPABWBL-INIZCTEOSA-N 400.906 4.762 0 40 HJAB Cc1ccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccccc3)n2)cc1 14086467 MMUPFAUIBDHRLF-UHFFFAOYSA-N 403.511 4.855 0 40 HJAB CCc1ccccc1OCc1nnc(SCc2cc(=O)c3ccccc3[nH]2)n1CC 15865307 TUYWKFQBVJOGNW-UHFFFAOYSA-N 420.538 4.573 0 40 HJAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)/C=C/c1ccccc1 17089911 HFDWBWBEXYCOAB-FMIVXFBMSA-N 414.490 4.725 0 40 HJAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)ccc12 17963064 DHOJOHVIDLVQGP-LBPRGKRZSA-N 406.265 4.664 0 40 HJAB COc1ccc(C2=N[C@@H](C(Cl)(Cl)Cl)N=C(C(Cl)(Cl)Cl)N2)cc1 19227940 QZDIPJGJSGEEIF-SECBINFHSA-N 423.942 4.510 0 40 HJAB COc1ccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCN(C(=O)C4CCCC4)C[C@H]23)cc1 19557627 HMFRVZZDIVITHW-TWJOJJKGSA-N 418.581 4.702 0 40 HJAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H]3c3ccc(Cc4ccccc4F)cn3)c2c1 19688465 JJTBAYAYFSMLJD-HSZRJFAPSA-N 414.484 4.974 0 40 HJAB Cc1ccc(-c2noc(CSc3nc4c(-c5ccccc5)c[nH]c4c(=O)[nH]3)n2)cc1 21731035 GSEOLTNJIGGHTA-UHFFFAOYSA-N 415.478 4.569 0 40 HJAB O=C(NCCSc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 23956741 KQWIJZZITXWLFZ-HXUWFJFHSA-N 418.562 4.601 0 40 HJAB CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2C)cc1 28534853 XCWXCODXFOFCRB-UHFFFAOYSA-N 419.529 4.950 0 40 HJAB COc1ccc(NC(=O)CSc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc1 32957646 AJTPDKSZNORWJQ-UHFFFAOYSA-N 409.298 4.518 0 40 HJAB CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(F)cc2)OC3=O)cc1 33026904 JFTZAMVASSLGJJ-QFIPXVFZSA-N 403.409 4.735 0 40 HJAB O=C(O[C@@H](C(=O)NCc1cccs1)c1ccc2ncccc2c1)c1cccs1 35292254 XNNSIXGLGGZDAI-LJQANCHMSA-N 408.504 4.572 0 40 HJAB Cc1cccc(CSCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 38851589 MQGFDYITRAHEDE-NRFANRHFSA-N 417.018 4.910 0 40 HJAB CC(C)c1nnc(SCCC(=O)Nc2ccc(Br)cc2)n1C1CC1 40127830 GCOCVQQCLZUHKU-UHFFFAOYSA-N 409.353 4.620 0 40 HJAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)NCc2ccc(OC(F)F)cc2)cc1 40158643 XXGOVYJGPKSPOK-MRXNPFEDSA-N 403.473 4.984 0 40 HJAB CC(C)c1ccc(OCCOC[C@H](O)CN2CCC(Cc3ccccc3)CC2)cc1 40373296 ZGNZMDOPVYOQCZ-RUZDIDTESA-N 411.586 4.521 0 40 HJAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Cn2ccnc2)cc1 44905448 VJAAEVFGGUJMBS-UHFFFAOYSA-N 415.468 4.580 0 40 HJAB Cc1ccc(-c2nnc(CCC(=O)N[C@H]3CCSc4ccc(Cl)cc43)o2)cc1 48237564 JODKSSKMRNPSKP-KRWDZBQOSA-N 413.930 4.984 0 40 HJAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 71794062 QYUCAMBOGOAFBE-YOEHRIQHSA-N 407.436 4.695 0 40 HJAB COc1ccc2cc([C@H](C)Sc3nnnn3-c3cccc(NC(C)=O)c3)ccc2c1 78939457 DLWDONFKCHJYMR-AWEZNQCLSA-N 419.510 4.636 0 40 HJAB CSc1ccc(NC(=O)NC(C)(C)COc2ncccc2Br)cc1 95456129 QSUZQBOFMDZQQJ-UHFFFAOYSA-N 410.337 4.545 0 40 HJAB CCCc1noc(CCCC(=O)Nc2ccc(N3CCC[C@H]3C(C)C)c(F)c2)n1 95465075 PEEMNEVDGXRMHM-SFHVURJKSA-N 402.514 4.747 0 40 HJAB C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(O)/C=C/c1ccccc1)c1ccccc1 95951572 WCUFFTSGLBHWQV-KHSPVOFTSA-N 422.569 4.791 0 40 HJAB O=S(=O)(NCc1ccccc1-c1ccsc1)c1ccccc1Br 96122963 JANLVXFSQRIHTR-UHFFFAOYSA-N 408.342 4.656 0 40 HJAB COC(=O)CC[C@@H](C)[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[C@@]21C 118917386 BWDRDVHYVJQWBO-JKZXFRSXSA-N 406.607 4.566 0 40 HJAB Cc1cc(OCC(=O)NCCCc2ccc(Cl)cc2)cc(C)c1Br 218839951 WOKPAQOVYXPVCQ-UHFFFAOYSA-N 410.739 4.847 0 40 HJAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1 222535102 NWSHXWIRJAAKFJ-LJQANCHMSA-N 422.550 4.620 0 40 HJAB Cc1ccc(-c2nnc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)s2)cc1 223197864 VNOBOTKGSLEKAE-UHFFFAOYSA-N 410.518 4.503 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 223252907 QIPHKSZCSMHAPG-NRFANRHFSA-N 414.977 4.913 0 40 HJAB COc1ccc(CN(C(C)=O)[C@H](C(=O)NCCC2=CCCCC2)c2ccccc2)cc1 223540528 LPBMJRGXMDHJMS-VWLOTQADSA-N 420.553 4.792 0 40 HJAB CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224622331 JDVFHGSOQYIXNX-UHFFFAOYSA-N 404.315 4.534 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCC1 224671796 XYSMEOZICWBYNM-GOSISDBHSA-N 412.961 4.667 0 40 HJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)c(OC)c1 224797047 XYKXVPOEVSGXDN-FGZHOGPDSA-N 422.554 4.658 0 40 HJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)s1 225033991 OLRZUWIOKAEKNO-LEWJYISDSA-N 408.596 4.926 0 40 HJAB CC(C)Oc1ccc(CCCNC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225569839 NRIHTRLPWNNIDJ-UHFFFAOYSA-N 411.571 4.520 0 40 HJAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1Cl 225575557 ZEJLYNRRLUBOLK-OAHLLOKOSA-N 421.896 4.580 0 40 HJAB CN(C(=O)c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12)c1ccccc1 306126836 FGOFYSTZTFYBAT-QFIPXVFZSA-N 424.504 4.588 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2C)cc1C 408546387 RYESXPWQPJDPGY-UHFFFAOYSA-N 412.486 4.804 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCCCCC1 408557445 NNMSZWAGBJJINH-UHFFFAOYSA-N 414.571 4.935 0 40 HJAB CSc1nc(N2CCCCC2)c2cc(C(=O)N[C@H](C)c3ccccc3)sc2n1 408622463 QLLTZUMZSXOWAR-CQSZACIVSA-N 412.584 4.895 0 40 HJAB Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 408670335 ZKOJCKKGYZWFLA-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC[C@H](C)C[C@H]2C1=O 408673997 WTDHNUXLMXXUCK-LDQXTDLNSA-N 418.537 4.989 0 40 HJAB COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(F)cc2)n1 408698951 QGQCHROWAQPFGQ-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB COc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)ccc1OCC(C)C 408805872 HZVZKKLPSYRSPH-UHFFFAOYSA-N 401.483 4.632 0 40 HJAB CCOC(=O)N[C@@H](CC(=O)Nc1ccc(Br)c(C)c1)c1ccccc1 408981945 WPCSBKVFJCJGSB-KRWDZBQOSA-N 405.292 4.574 0 40 HJAB CCOC(=O)c1ccc(COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)cc1 409181284 APRRYYWEGSDFRW-UHFFFAOYSA-N 412.825 4.946 0 40 HJAB COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OC 409371359 IAYYAXXXDNSNCF-UHFFFAOYSA-N 404.182 4.737 0 40 HJAB CC1(C)C[C@@]2(CCCN2C(=O)c2cnccc2C(F)(F)F)CN1c1ccc(F)cc1 2037988408 FCETVKMYJWDQOE-NRFANRHFSA-N 421.438 4.903 0 40 HJAB C[C@H]1CCc2c(sc3ncn4c(SCC(=O)c5ccccc5F)nnc4c23)C1 929643 URYLUMNQVSZWRM-NSHDSACASA-N 412.515 4.578 0 40 HJAB CCNC(=O)c1c(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc2c1CCCC2 1159728 HOHXVESMVPHCQO-NHYWBVRUSA-N 415.386 4.906 0 40 HJAB COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 2249126 CPYHSNLCHOWSQV-LJQANCHMSA-N 418.474 4.625 0 40 HJAB CC(C)CCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1 2265537 LWQOZBDYCUCXNK-UHFFFAOYSA-N 404.923 4.542 0 40 HJAB Cc1ccc2c(c1)C1=C([C@@H](c3cccs3)N3NC=NC3=N1)[C@@H](c1cccc(F)c1)O2 2707288 XHSCQTGZVIVAEB-FGZHOGPDSA-N 416.481 5.000 0 40 HJAB Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2ccccc2)cc1C 3256883 UKGXBXRLNVPZKD-UHFFFAOYSA-N 418.522 4.553 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccc(F)cc2)nc2cc(Cl)ccc2c1=O 3325966 WUFSUNUEBHFWPX-UHFFFAOYSA-N 419.909 4.720 0 40 HJAB O=C(Cc1ccc(Cl)c(Cl)c1)OCc1cc(=O)n2c(n1)sc1ccccc12 3332386 PBQDIZJEHNLVNI-UHFFFAOYSA-N 419.289 4.502 0 40 HJAB CCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(Cl)cc1 4328794 PXNYKCDAQUEIMM-UHFFFAOYSA-N 404.898 4.878 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)cc1 4596690 PRJBTWVZDVJFPF-UHFFFAOYSA-N 418.449 4.700 0 40 HJAB Cc1ccc(N(CC(=O)c2ccc(Br)cc2)C2=NCCCS2)cc1 4614833 ATRGONWXJNDELT-UHFFFAOYSA-N 403.345 4.940 0 40 HJAB CC(=O)c1cccc(NC(=O)/C(=C/c2ccccc2Cl)NC(=O)c2ccccc2)c1 4832638 ULHIFGGBJJHVGD-JCMHNJIXSA-N 418.880 4.952 0 40 HJAB Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)cc1 5065773 IKCGWVUTHIGBAR-LEWJYISDSA-N 402.454 4.691 0 40 HJAB CS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 5223259 KSHMFCIXFOFQAB-UHFFFAOYSA-N 408.504 4.619 0 40 HJAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(C)cc2C)NC(=O)N1 6046511 DRHAETFTFWLWIK-SFHVURJKSA-N 403.404 4.589 0 40 HJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 6205973 LSHNFBUNLCZZGT-GOSISDBHSA-N 411.439 4.623 0 40 HJAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(OC)c(OC)c(OC)c2)N3)C1 6358113 NEQDRWYRWLPCSQ-WYRIXSBYSA-N 402.516 4.718 0 40 HJAB O=C(OCC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1)c1ccccc1F 6610767 FDQCWRDFLKDCDS-HXUWFJFHSA-N 407.466 4.863 0 40 HJAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)NCCCc2ccccc2)c1C 7141433 MKKCYESTOMEKJZ-UHFFFAOYSA-N 416.521 4.953 0 40 HJAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 7667088 KBDIYRMVLCXPMY-MRXNPFEDSA-N 414.571 4.896 0 40 HJAB COc1cc2c(cc1OC)CN(c1nc(-c3cccs3)nc3ccccc13)CC2 7779748 PCIFVYBBMXPECU-UHFFFAOYSA-N 403.507 4.938 0 40 HJAB CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 7921717 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O[C@H](COc1ccc(Cl)cc1Cl)Cn1c(-c2cscn2)nc2ccccc21 14287366 QYAMAZYSUHCXAD-ZDUSSCGKSA-N 420.321 4.907 0 40 HJAB C[C@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)c1ccc(Br)cc1 14811968 SPOLSAYBAKZTIV-TZIYXEQSSA-N 410.267 4.825 0 40 HJAB CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1 17089600 OVBNVDSPFCUGFT-UHFFFAOYSA-N 413.521 4.665 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1C 17091160 NOMWYFDOLJEPQK-UHFFFAOYSA-N 417.534 4.611 0 40 HJAB CC(C)(C)C(=O)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19081045 LGUSEOGDZIHPBJ-GOSISDBHSA-N 401.514 4.644 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 20151580 QYJCEQREZKUQDI-UHFFFAOYSA-N 400.887 4.528 0 40 HJAB CC(C)c1ccc(CN2CCN([C@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1 22925532 QRDJYNYWSOQQCV-GOSISDBHSA-N 408.521 4.878 0 40 HJAB CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC[C@@H](C)C3)c2c1 23109683 DWGCWVXUXRHDEJ-QGZVFWFLSA-N 410.539 4.703 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)Cc2csc(-c3ccsc3)n2)cc1OC 24838011 YDSBKFPMYNWVFX-KRWDZBQOSA-N 414.552 4.795 0 40 HJAB C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)[C@H]1CCCO1 27873420 LZGJTEMWSDYURM-HRAATJIYSA-N 409.917 4.549 0 40 HJAB O=C(c1cc2cccc(Br)c2o1)N1CCO[C@@H](c2ccc(F)cc2)C1 32637372 NLORZLIMVZYCFZ-QGZVFWFLSA-N 404.235 4.548 0 40 HJAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(F)cc2)OC3=O)c1 33026899 MVFJFXQUFRXKAX-QFIPXVFZSA-N 403.409 4.735 0 40 HJAB O=C(c1ccccc1Nc1ccc(F)cc1)N1CCC[C@H](c2nnc3ccccn23)C1 40080010 LBAGVWWKFMQRFQ-KRWDZBQOSA-N 415.472 4.632 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)N[C@@H](C)Cc2cccc(Cl)c2)no1 40112937 AYIKTJHDBXVIEX-ZDUSSCGKSA-N 401.919 4.685 0 40 HJAB COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 44937302 QGCRJNXPOJDESY-DEOSSOPVSA-N 412.549 4.950 0 40 HJAB COc1cc(C(C)=O)ccc1OCCCC(=O)N[C@H]1CCSc2ccc(F)cc21 48346098 CPDOCHRCCXVXBT-SFHVURJKSA-N 417.502 4.549 0 40 HJAB COc1cc(CC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 50357809 ILORZNKYXFNYDG-UHFFFAOYSA-N 412.313 4.613 0 40 HJAB Cc1noc(C)c1CC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F 54211572 SUSXPLBDGYZNTH-FQEVSTJZSA-N 417.278 4.641 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(N3CCOC3=O)c2)cc1 58104977 DVWRYMGITMGHQQ-OAQYLSRUSA-N 409.486 4.801 0 40 HJAB Fc1ccc(CN2CCC(Nc3nc(C(F)(F)F)nc4ccccc34)CC2)cc1 59393798 PSXVFOBCZSYUFP-UHFFFAOYSA-N 404.411 4.864 0 40 HJAB O=C(COc1ccccc1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349073 WWJRWFIADBMQBH-FQEVSTJZSA-N 404.485 4.597 0 40 HJAB CN(Cc1ccccc1)C(=O)c1cccc(-c2ccc(C[C@@H]3CCCNC3=O)cc2)c1 72356266 RTLFKWVOSPUFOJ-DEOSSOPVSA-N 412.533 4.695 0 40 HJAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 72378963 UVVAYPJVZPYEEW-OAQYLSRUSA-N 402.542 4.730 0 40 HJAB C[C@@H](CN1CCC([C@@H](NC(=O)c2ccccn2)c2nccs2)CC1)c1ccccc1 72394618 OXFCDXHDZFOXJJ-PGRDOPGGSA-N 420.582 4.525 0 40 HJAB CN(c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1F 89365265 ZSKYUPYFFRHCOG-UHFFFAOYSA-N 419.861 4.523 0 40 HJAB Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC2CCC2)c2ccccc2O3)o1 96053388 CZFOEZFDKSWFNF-LJQANCHMSA-N 408.542 4.548 0 40 HJAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCCN2Cc2ccccc2F)C1 96071328 MNSAMNRYRMNDDJ-HSZRJFAPSA-N 400.925 4.679 0 40 HJAB COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)Nc3ccccc3)c2c1 215699525 GGDDKXSNLUAFSW-UCQKPKSFSA-N 411.461 4.586 0 40 HJAB O=C(COc1ccc(Br)cc1)Nc1ccccc1C(=O)c1ccccc1 218817274 WZMZFYXWKTVCGF-UHFFFAOYSA-N 410.267 4.698 0 40 HJAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C 222628491 YETTVIJTAVDWQI-JOCHJYFZSA-N 414.977 4.852 0 40 HJAB CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C)cc1 223050250 JCHRBMXBSPUXLK-VWLOTQADSA-N 414.549 4.661 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C 223267691 XHPFFLGUEPRJIR-QFIPXVFZSA-N 424.585 4.713 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223972971 CHCYPQSSBORHBX-UHFFFAOYSA-N 414.914 4.956 0 40 HJAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)nc1 224156377 HLWHISPUASAFPY-DHIUTWEWSA-N 411.534 4.753 0 40 HJAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc32)cc1 224336297 RVOXBVOCBAWPER-UHFFFAOYSA-N 406.913 4.712 0 40 HJAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224355075 UDLMKJWUGSZJHT-OAQYLSRUSA-N 414.977 4.995 0 40 HJAB CCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc2ccccc2c1 225059851 ULZGQBCUALNSBT-UHFFFAOYSA-N 411.523 4.523 0 40 HJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCOc1ccc(C)cc1 225443576 WTEWGGLTTOSPHK-XMMPIXPASA-N 424.585 4.530 0 40 HJAB COC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)ccc1OC(C)C 225753389 OCOWTRYTDKBKEA-UHFFFAOYSA-N 411.498 4.720 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)c(Br)c2)nc2ccccc21 408692649 RNNZQEMOTQSCST-UHFFFAOYSA-N 404.333 4.858 0 40 HJAB C[C@@H](N[C@H]1COc2cc(F)cc(F)c21)c1cccc(OCc2cn3ccccc3n2)c1 680354372 CFOTVNIKIQVBBG-VFNWGFHPSA-N 421.447 4.976 0 40 HJAB COC(=O)c1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc1 691624 ORBYRHOIMRUERM-UHFFFAOYSA-N 409.511 4.576 0 40 HJAB CCOC(=O)[C@H](CC)Sc1nnc(COc2cccc(C)c2)n1-c1ccccc1 875832 KNYRFZNRZKOIKO-IBGZPJMESA-N 411.527 4.589 0 40 HJAB Cc1ccc2cc(CN(Cc3ccccc3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 880417 DHWPYVTYFTYZLN-UHFFFAOYSA-N 403.526 4.881 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 1107623 JVMOWOVVCMVIQZ-UHFFFAOYSA-N 419.300 4.842 0 40 HJAB Cc1ccc(-n2ccc(=O)c(-c3ccnc(SCc4cccc(Cl)c4)n3)n2)cc1 1398854 IYZBNVVKZHSMLU-UHFFFAOYSA-N 420.925 4.944 0 40 HJAB O=C(Nc1nc2n(n1)[C@H](c1ccccc1Cl)C[C@H](c1ccccc1)N2)c1ccco1 2398368 DFSMFAADKMMFOB-MSOLQXFVSA-N 419.872 4.923 0 40 HJAB CCOc1ccc(C(C)=O)cc1COC(=O)c1ccccc1C(=O)c1ccccc1 2660434 OYTGKBKMKMWJIT-UHFFFAOYSA-N 402.446 4.876 0 40 HJAB Cc1ccc(-c2csc(=S)n2CC(=O)OCC(=O)N(C)C2CCCCC2)cc1 3297464 VHDJNPWWJHMXNN-UHFFFAOYSA-N 418.584 4.589 0 40 HJAB CCCCn1cc(S(=O)(=O)c2ccc(OCC)cc2)c(=O)c2cc(CC)ccc21 4193422 DIODVGIAZYHOPZ-UHFFFAOYSA-N 413.539 4.596 0 40 HJAB CC[C@H](C)COC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 5025995 YLNITXSPCUUOFQ-INIZCTEOSA-N 402.498 4.612 0 40 HJAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(Cl)c4C)ccc1c23 5553533 VRUVCMPHSAZOMQ-UHFFFAOYSA-N 400.887 4.583 0 40 HJAB COc1ccc(OC)c(-n2c(S)nnc2CCCOc2ccc(Cl)cc2C)c1 6399957 BSDULRKZPNAYJE-UHFFFAOYSA-N 419.934 4.547 0 40 HJAB CCOc1ccccc1NC(=O)Cn1c(COc2ccc(C)cc2)nc2ccccc21 6608463 AVOOHQYIRGXNKS-UHFFFAOYSA-N 415.493 4.961 0 40 HJAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)Nc4ccc5c(c4)OCO5)c(C)c3cc12 6623903 TYOIWCGYKJKSKH-UHFFFAOYSA-N 419.433 4.764 0 40 HJAB biogenic COc1cc(OC)c(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1Cl 6819116 UDZBDQATSBDCBL-BFUOFWGJSA-N 409.269 4.780 0 40 HJAB Cc1cccc(C)c1NC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 6868089 BTHODCNHVKMFJR-UHFFFAOYSA-N 411.457 4.784 0 40 HJAB C/C=C/c1ccc(OCCCn2c(CN(C)C(C)=O)nc3ccccc32)c(OC)c1 7425428 VGKZLAUTZPCRON-WEVVVXLNSA-N 407.514 4.525 0 40 HJAB Cc1cc(Br)ccc1NC(=O)CN(Cc1ccco1)Cc1ccco1 7726717 FBTIAZXVQWXLGY-UHFFFAOYSA-N 403.276 4.584 0 40 HJAB CCc1ccc(-c2n[nH]c(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)n2)cc1 8266833 KLAKIIKELWORRK-HXUWFJFHSA-N 406.555 4.880 0 40 HJAB COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(C)c3)n2C(C)C)cc1 8388825 JTBCXSQQGVYMJB-INIZCTEOSA-N 410.543 4.962 0 40 HJAB CSc1ncc(-n2c(-c3ccc(C)cc3)cs/c2=N\C(=O)c2ccccc2)cn1 8430928 TTXIYPREAXMAGR-LVWGJNHUSA-N 418.547 4.767 0 40 HJAB C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8709258 ZRBAGJVDJFTENS-VGOFRKELSA-N 402.494 4.775 0 40 HJAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCC(C)C)c(OC)c1 8869353 HZMNOBKAPNVNDP-JOCHJYFZSA-N 421.493 4.792 0 40 HJAB COc1cccc(C2=C[C@H](c3ccc(OCc4ccccc4)cc3)N3N=NNC3=N2)c1 9359617 UOCOOBXQVADQOR-HSZRJFAPSA-N 411.465 4.913 0 40 HJAB CS(=O)(=O)N(CCCC(=O)Nc1cccc2ccccc12)c1cccc(Cl)c1 9426060 QXNSQAITEPVVLZ-UHFFFAOYSA-N 416.930 4.678 0 40 HJAB Cc1cc2cc(CCNC(=O)C3c4ccccc4Oc4ccccc43)c(=O)[nH]c2cc1C 9428154 PZMVTSSBKKXHDE-UHFFFAOYSA-N 424.500 4.741 0 40 HJAB CSc1nc2c3c(sc2c2nnc(SCCN4CCCCC4)n12)CCCC3 9575997 CWWDRIFAYHFXSK-UHFFFAOYSA-N 419.645 4.518 0 40 HJAB Cc1ccc(NC(=O)N[C@@H](C)c2ccccn2)cc1NC(=O)N[C@@H](C)c1ccccn1 9979086 UZVYVWPMAMTIJX-IRXDYDNUSA-N 418.501 4.550 0 40 HJAB CCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 12508485 DFROFYTVVDMBKM-UHFFFAOYSA-N 400.525 4.754 0 40 HJAB CC(=O)c1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 12762791 LEIFJQIVSBTSQI-SJLPKXTDSA-N 408.523 4.672 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCN(C(=O)C2CC2)CC1 12867525 JEZKDEOPJGKESQ-UHFFFAOYSA-N 424.353 4.704 0 40 HJAB CC(C)N1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21 13123327 JQVDKZGPMNGDQC-PGMHBOJBSA-N 407.473 4.681 0 40 HJAB CC[C@H](C(=O)Nc1ccc2ccccc2c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714177 FXTALNWQEKCCJR-HXUWFJFHSA-N 416.930 4.677 0 40 HJAB COc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(Cl)cc2)cc1 15413389 AKDWYQNYDWIJQG-HSZRJFAPSA-N 420.896 4.778 0 40 HJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 15588264 SRBXGVMNORRKAC-UHFFFAOYSA-N 420.431 4.802 0 40 HJAB CSc1ccccc1NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 15883355 BKDSNHIRQRCXKA-UHFFFAOYSA-N 419.481 4.558 0 40 HJAB CCN(C/C=C\CN(CC)C(=S)Nc1ccccc1)C(=S)Nc1ccccc1 17105584 PZWQFRUAFNJHSA-QXMHVHEDSA-N 412.628 4.980 0 40 HJAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)cc1 18038143 QBVBZOBHRWSSFE-SMIHKQSGSA-N 412.489 4.663 0 40 HJAB Cc1sc2nc(CN3CCOCC3)nc(Sc3ccc(F)c(F)c3)c2c1C 19309456 VAKXIROARGFSPT-UHFFFAOYSA-N 407.511 4.570 0 40 HJAB Cc1ccc(Cc2ccc([C@@H]3CCCN3C(=O)CCc3nnc(C(C)C)o3)nc2)cc1 19688484 KWHDMNDDBPTMQN-QFIPXVFZSA-N 418.541 4.784 0 40 HJAB CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1Cl 20455334 OGFZHFLZXVZGIU-UHFFFAOYSA-N 402.661 4.841 0 40 HJAB O=C1N(Cc2ccccc2)c2ccccc2[C@@]12CC(O)=Nc1c2cnn1-c1ccccc1 20716921 QEEDXPLOFRNCJM-AREMUKBSSA-N 420.472 4.697 0 40 HJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1NCCc1ccccc1 22072891 DDHIKCNLVHJFGO-UHFFFAOYSA-N 401.388 4.887 0 40 HJAB O=C(c1cn2c3c(cccc3c1=O)CCC2)N(Cc1ccccc1)Cc1ccccc1 22235380 KLKJQOKLXJVQLX-UHFFFAOYSA-N 408.501 4.790 0 40 HJAB O=C(CN1CC=C(c2ccccc2)CC1)N1N=C(c2ccco2)C[C@H]1c1cccs1 30630657 JLSUJAHXVJMUQQ-NRFANRHFSA-N 417.534 4.808 0 40 HJAB COc1ccc(-c2noc(CSc3ccc(-c4ccc(C)cc4)nn3)n2)cc1OC 33262443 VDJLKQAJCSZVOZ-UHFFFAOYSA-N 420.494 4.812 0 40 HJAB Oc1nc(SCc2ccccc2Cl)nc2c1CN(Cc1ccc(F)cc1)CC2 33287251 JEZNZKDQYGTHJL-UHFFFAOYSA-N 415.921 4.825 0 40 HJAB O=C(NCc1nc2ccccc2[nH]1)c1cc2sccc2n1Cc1ccccc1F 44901233 MFKLXPOGKNMAHL-UHFFFAOYSA-N 404.470 4.697 0 40 HJAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)o1 48260990 XQIREKVYCABCFS-KSSFIOAISA-N 401.453 4.735 0 40 HJAB CCOc1cccc2c1OCC(C(=O)Nc1ccc(-c3nc(C(C)C)no3)cc1)=C2 58263994 SWRSECWWEPBDNN-UHFFFAOYSA-N 405.454 4.673 0 40 HJAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Br)cc2Cl)CC1=O 58998231 RCTKVXVDRWBIFX-OCCSQVGLSA-N 421.722 4.651 0 40 HJAB CCC(CC)(NC(=O)Nc1cc(S(C)(=O)=O)ccc1C)c1ccc(Cl)cc1 65564998 DQALZRXDBIJLMA-UHFFFAOYSA-N 408.951 4.889 0 40 HJAB O=C(CSc1nccn2nc(-c3cccs3)cc12)NCc1ccccc1Cl 67290053 PTXGMTIDGDWAEU-UHFFFAOYSA-N 414.943 4.520 0 40 HJAB COc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)n2)c1 72349611 JDZFKHHAMXAHPP-OAQYLSRUSA-N 418.512 4.769 0 40 HJAB CC(C)c1ncc(CN2CCCCC[C@@H]2Cc2c(C(N)=O)sc3ccccc23)cn1 72370685 ODSUCYABPLGIQE-GOSISDBHSA-N 422.598 4.901 0 40 HJAB COc1ccc([C@H]2CCCN2Cc2cc(=O)oc3cc(Br)ccc23)cc1 96791940 SWOXSJBTNZJHMD-LJQANCHMSA-N 414.299 4.901 0 40 HJAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2=C(c2ccccc2)c2ccccc2)[C@H]1C(=O)Nc1ccccn1 100083050 AJALKHZZBSHUSA-UIYANEJRSA-N 422.484 4.655 0 40 HJAB Cc1ccc(NC(=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1Cl 102621846 UHFCMOORZBGBIH-UHFFFAOYSA-N 404.853 4.910 0 40 HJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(OC)c(OC)c1 219348165 FGZFASJPMVLYSY-QFIPXVFZSA-N 407.510 4.763 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 222656824 LYCUTCRIENSDFV-HXUWFJFHSA-N 421.368 4.868 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 223606776 SLCKCEKARIDISF-OAQYLSRUSA-N 418.940 4.745 0 40 HJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 223746592 FNBTZKZMKMKYPD-FQEVSTJZSA-N 424.610 4.786 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 223809146 JIYCGVTUEHGGEZ-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccccc3OC)o2)cc1 224912978 IFSIPSCORILDAC-UHFFFAOYSA-N 414.461 4.956 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=O)CSCc2ccc(Cl)cc2F)c1 224945685 DXYUJLQFEWQAMK-UHFFFAOYSA-N 402.274 4.791 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 225288813 YTJHCVVWFFJUED-VWLOTQADSA-N 422.569 4.835 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)C)cc1 225534550 GPJGEJMCRODUAK-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 225543577 WCFITJKODVSSAB-XUZZJYLKSA-N 424.585 4.713 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 225612691 NZSCBLYLKPQTNG-IERDGZPVSA-N 418.940 4.744 0 40 HJAB CCOCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C)n1 225863474 CIPFFSUOHNJDAA-UHFFFAOYSA-N 402.922 4.909 0 40 HJAB Cc1cc(Cl)cc(Cl)c1OCC(=O)n1nnc2cc(Br)ccc21 226359785 VFNWBBALHRODJL-UHFFFAOYSA-N 415.074 4.528 0 40 HJAB CC(C)CC(=O)N1CCC(Cc2ccccc2-c2cccc(F)c2)(C(=O)N(C)C)CC1 257252873 JWLHHKJDILAANQ-UHFFFAOYSA-N 424.560 4.778 0 40 HJAB CCOc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1 408573745 KGCYRULKCGMZCU-GOSISDBHSA-N 405.947 4.762 0 40 HJAB O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1CCCc1ccccc1 409123228 AVKHXVYNADNSAX-SFQUDFHCSA-N 418.312 4.824 0 40 HJAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 409184151 XHCBLFOYSBOWPU-GZTJUZNOSA-N 400.887 4.577 0 40 HJAB O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cccc2cccnc12 828391824 IGMOBYQSIMUZHF-UHFFFAOYSA-N 418.503 4.707 0 40 HJAB COc1ccc(NC(=O)c2ccc(OC(=S)N(C)c3ccc(OC)cc3)cc2)cc1 725500 DALXKLKPSSLHOT-UHFFFAOYSA-N 422.506 4.756 0 40 HJAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)N3c4ccccc4C[C@@H]3C)n12 903004 RZJMKXNMIANSRH-KRWDZBQOSA-N 416.550 4.878 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCc2ccccc21 904743 VYWVGJDFMVEDFJ-UHFFFAOYSA-N 424.529 4.887 0 40 HJAB aggregator Cc1ccc(NC(=O)c2sc3ncn(Cc4ccccc4F)c(=O)c3c2C)c(C)c1 1308335 IOLQWGRCALCEES-UHFFFAOYSA-N 421.497 4.823 0 40 HJAB CCCCC(=O)NC(=S)Nc1sc(C)c(-c2ccccc2)c1C(=O)OCC 1783111 HXPPHWBOHQPGPY-UHFFFAOYSA-N 404.557 4.903 0 40 HJAB Cc1ccc(-n2c(N)c(C(=O)N[C@@H](C)c3ccccc3)c3nc4ccccc4nc32)cc1 2312568 WFHXSURCGXEWHL-KRWDZBQOSA-N 421.504 4.955 0 40 HJAB CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccccc2C)C[S@](=O)C3)CC1 2724926 LUSZPVWFGPWQAK-ZBOLRPPQSA-N 413.587 4.878 0 40 HJAB COc1ccccc1Nc1nnc(SCCOc2ccccc2C(C)=O)s1 3353108 ODLJJQSCTBDBQD-UHFFFAOYSA-N 401.513 4.664 0 40 HJAB CSc1cccc(NC(=O)CN2C(=O)S/C(=C\C=C\c3ccccc3)C2=O)c1 4698722 FIDCQHVEXCLORU-BIMFAPAISA-N 410.520 4.640 0 40 HJAB Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 5156476 PQVQBGVQNNUUHN-QGZVFWFLSA-N 408.866 4.961 0 40 HJAB CCOC(=O)c1ccc(N[C@H]2SC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 6148158 BTDZOUGNLCAOSM-HNNXBMFYSA-N 424.400 4.520 0 40 HJAB CC(=O)c1cccc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c1 6623848 BIGANDDJQWMJGP-UHFFFAOYSA-N 403.434 4.848 0 40 HJAB biogenic O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Br)o1 6664278 UAKYWTWYFKLHMO-INIZCTEOSA-N 410.271 4.632 0 40 HJAB C[C@@H](Sc1ncccn1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 6913151 GAANEBQMOVUDEK-CXAGYDPISA-N 412.902 4.582 0 40 HJAB Cc1cc2oc(=O)cc(C)c2cc1OS(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 6922345 HAKPWRYAMYIKIL-UHFFFAOYSA-N 413.278 4.793 0 40 HJAB Cc1noc(C)c1CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 8009881 YLRQNDVNABZFMQ-UHFFFAOYSA-N 414.509 4.735 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 8074048 ZDTCOYRLNAKBSP-FOIQADDNSA-N 410.539 4.885 0 40 HJAB Cc1cc(C)cc(N2C[C@H](c3nnc(NC(=O)c4ccc(C)c(C)c4)s3)CC2=O)c1 9199767 ZOYKHHGFCMGANE-GOSISDBHSA-N 420.538 4.545 0 40 HJAB O=C1[C@@H](CC[C@H](O)c2ccc(F)cc2)[C@H](c2ccc(O)cc2)N1c1ccc(F)cc1 9223145 OLNTVTPDXPETLC-VABKMULXSA-N 409.432 4.888 0 40 HJAB in-vitro CCOCCCNc1nc(Nc2cccc(F)c2)c2cnn(-c3ccccc3)c2n1 9622918 SORWHTOCJWQQHP-UHFFFAOYSA-N 406.465 4.537 0 40 HJAB CC(C)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 10009588 DUZSTYHNYSVZEU-UHFFFAOYSA-N 414.552 4.949 0 40 HJAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1cccc(NC(=O)C2CC2)c1 10580032 GCOQPGKXSAOXMB-UHFFFAOYSA-N 423.900 4.593 0 40 HJAB Fc1ccc(Cn2nnc3c(SCc4ccc(C(F)(F)F)cc4)ncnc32)cc1 11758506 AYMVWLDITNMGJW-UHFFFAOYSA-N 419.407 4.720 0 40 HJAB COc1ccc(OC)c(-c2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)c1 11852402 ZYBKNRVFZMNOSJ-UHFFFAOYSA-N 421.931 4.607 0 40 HJAB COc1ccc(NC(=O)CSc2nc3ccccc3n2CCC(C)C)cc1OC 12520770 KFWYXUSHDNINBH-UHFFFAOYSA-N 413.543 4.830 0 40 HJAB CC(C)C[C@@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 12777885 JTLYRMDRJNJRJV-GOSISDBHSA-N 423.582 4.700 0 40 HJAB C[C@H]1CCCN(Cc2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)C1 12780694 UHKPWWJHVFVFBG-LBPRGKRZSA-N 414.358 4.699 0 40 HJAB CC(=O)c1ccc(OC[C@H](O)CSc2nc(-c3ccco3)nc3ccccc23)cc1 12852907 UXEYMZNIIXTMSP-KRWDZBQOSA-N 420.490 4.624 0 40 HJAB Cc1ccc(Cl)c(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1Cl 12903656 KVQVXGCNYBCKGV-AWEZNQCLSA-N 418.328 4.514 0 40 HJAB Cc1cccc(O[C@@H](C)C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)c1 12927256 KNUROLYWSJVJJD-LBPRGKRZSA-N 418.868 4.738 0 40 HJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccccc1C(F)(F)F 13695411 ZPBSQNBSKXHTPQ-UHFFFAOYSA-N 400.356 4.754 0 40 HJAB O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc2c(c1)OC(F)(F)O2 14709739 JXMVBLDOGWXYHI-UHFFFAOYSA-N 408.357 4.533 0 40 HJAB O[C@H](COc1ccc(Cl)cc1)Cn1c(COc2ccccc2)nc2ccccc21 15860761 KSKCAHAAIHLNDP-SFHVURJKSA-N 408.885 4.709 0 40 HJAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C[C@H]4C=CCC4)C3)cc2N1 19082320 CPUMKJXKZRGZIE-CIRFHOKZSA-N 424.511 4.889 0 40 HJAB COc1cc(NC(=O)COc2c(C)cc(C)cc2Cl)ccc1-c1ccc(CO)o1 20144413 XSPXKJSNENEDCD-UHFFFAOYSA-N 415.873 4.735 0 40 HJAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(F)cc2)cc1 20449435 BGRBMDOFMBJYCP-MRXNPFEDSA-N 424.497 4.526 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccc(Cl)cc4)cnn32)c1 20718000 DWHUJQGWGLBACA-SFHVURJKSA-N 408.845 4.578 0 40 HJAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)N[C@@H](C(=O)O)c1ccccc1 20727665 ZLVXKHSCNMLHMV-OAHLLOKOSA-N 421.305 4.981 0 40 HJAB FC(F)Oc1ccc(-c2c[n+](-c3ccc4c(c3)OCCO4)c3n2CCCCC3)cc1 27788619 AAAIVIKRTPOHBA-UHFFFAOYSA-N 413.444 4.531 0 40 HJAB CCc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1 28206867 MZANLUSXLVBIHX-KRWDZBQOSA-N 420.534 4.641 0 40 HJAB Cc1ccc(C)c(CNC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 32578972 GQDZEEPFMRYSAZ-UHFFFAOYSA-N 413.477 4.716 0 40 HJAB Cc1ccc(-n2ncc([C@@H](C)NC(=O)NCc3coc(-c4cccs4)n3)c2C)cc1 32803604 OBAUDFUXRGEEAX-OAHLLOKOSA-N 421.526 4.766 0 40 HJAB Cc1ccc(C(=O)Nc2nnc(SCc3cc(=O)c4cc(C)ccc4[nH]3)s2)cc1 33063900 XYJLEFDASNFQKA-UHFFFAOYSA-N 422.535 4.541 0 40 HJAB Cc1cccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1C 38835204 JVSPOPUPNGFQQE-UHFFFAOYSA-N 401.348 4.917 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 44901180 PKLCXMPOYGSVLS-HXUWFJFHSA-N 412.873 4.659 0 40 HJAB Cc1cccc(C(=O)Nc2c(C)c(Br)c(N)c(Br)c2C)c1 45890901 BWLWHSXSQSKNAE-UHFFFAOYSA-N 412.125 4.971 0 40 HJAB CC(=O)Nc1ccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc23)cc1 49005306 UMXAWSRXCXQZGU-MRXNPFEDSA-N 417.513 4.655 0 40 HJAB Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(Br)c1 51364572 LANJSGYDPUPHGZ-INIZCTEOSA-N 423.310 4.916 0 40 HJAB CCN(CC)C(=O)[C@@H](c1ccccc1)N(C)Cc1c(C)nn(-c2ccccc2)c1C 58169942 KSZSJULFRQFJHY-XMMPIXPASA-N 404.558 4.531 0 40 HJAB CC[C@H](C)n1c(SCC(=O)Nc2cccc(Cl)c2C)nc2cc(C)[nH]c2c1=O 67238997 COSSBYSNIVTAGE-LBPRGKRZSA-N 418.950 4.697 0 40 HJAB O=C(c1sc2ccccc2c1[C@H]1CCN(Cc2ccccc2F)C1)N1CCOCC1 72352380 XAAFMYZRMWCMSX-SFHVURJKSA-N 424.541 4.502 0 40 HJAB Cc1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)nnn1-c1cccc2cnccc12 78716034 VWOVHUKIUCEYHC-UHFFFAOYSA-N 415.350 4.534 0 40 HJAB COc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)ccc1OC1CCCC1 79045284 IAHNKRCYRHMSIH-QGZVFWFLSA-N 413.539 4.956 0 40 HJAB O=S(=O)(CCSc1nnc(-c2ccccc2)c2ccccc12)c1ccccc1 84559953 KHUMXFJGOTYFBR-UHFFFAOYSA-N 406.532 4.863 0 40 HJAB Cc1sc2nc(CN3CCC[C@H]3c3cccc(Br)c3)[nH]c(=O)c2c1C 89562940 LEADCWDEDSRVFO-HNNXBMFYSA-N 418.360 4.701 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1CNS(=O)(=O)/C=C/c1ccccc1 90593342 QDGLZNUWDUXJEX-VAWYXSNFSA-N 404.944 4.862 0 40 HJAB N=c1c2c(ncn1Cc1ccco1)Oc1cc(O)ccc1[C@H]2c1ccc(Cl)cc1 101363609 XRGMYDWLRJTWAA-LJQANCHMSA-N 405.841 4.649 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccccc3C(=O)Nc3cccc(Cl)c3C)C(=O)[C@@H]12 102531274 MZBQXBFKILEUNT-IWMXFIMRSA-N 420.896 4.602 0 40 HJAB CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 102736297 XMMKDNVRLXROGB-JJCGOBCMSA-N 410.489 4.721 0 40 HJAB CC(C)C[C@H]1[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2ON1c1ccccc1 102736351 VWOCTRMVELYDAU-YTFSRNRJSA-N 400.478 4.564 0 40 HJAB CC(C)(C)OC(=O)Nc1cc(Cl)c(OS(=O)(=O)C(F)(F)F)c(Cl)c1 114761527 MJGLHMVSLFMSDN-UHFFFAOYSA-N 410.197 4.569 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCCC[C@H]1[C@H](O)[C@@H]3O 118914753 RPBAJJRDQPLSHK-CNRXPNNASA-N 406.607 4.566 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cccc4ccccc34)n2)c1 219049839 WISBHGWPYDKGEQ-QGZVFWFLSA-N 401.466 4.624 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 222502976 JVYUUXMCVKRUNB-HSZRJFAPSA-N 424.585 4.829 0 40 HJAB Cc1c(Cl)cccc1N(CCCC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O 222666398 LSOAISGEQFIANZ-UHFFFAOYSA-N 422.978 4.957 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 222710688 UEZJIUJBUPQNSX-QFIPXVFZSA-N 414.977 4.852 0 40 HJAB CCCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222771874 NQMBJTKNMGYHLL-SFHVURJKSA-N 400.950 4.606 0 40 HJAB CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 223904210 MNRSDNYCAVSFDB-VXKWHMMOSA-N 405.571 4.707 0 40 HJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(CC)cc1 224067877 LIKNDCRQKXJZFO-VWLOTQADSA-N 422.613 4.948 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](C)c3ccccc3)cc2C)cc1 224091271 MNJHURKDJLTRFN-IBGZPJMESA-N 422.550 4.638 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1F 225067055 KKSXSSOOHSWWLE-DEOSSOPVSA-N 424.560 4.933 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 225133971 PYSRZOXJEYLJJG-QFIPXVFZSA-N 412.599 4.562 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 225243035 LGMODESSVCBJRQ-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(CC)cc1 225276685 VJWMZYBHXUJVGH-QHCPKHFHSA-N 412.549 4.654 0 40 HJAB CCCCCn1c(SCc2nc(-c3ccccc3)no2)nc2ccccc2c1=O 225530900 LTIPUZYUXQRLKD-UHFFFAOYSA-N 406.511 4.929 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 225655915 VHYIGVFCTJJENO-KKSFZXQISA-N 418.940 4.744 0 40 HJAB CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)CC(C)C)CC1 257215178 CPBNGCQKXQKSTL-UHFFFAOYSA-N 424.560 4.826 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)c1 257296999 RFIRTXCWHIJCPG-OAQYLSRUSA-N 410.901 4.834 0 40 HJAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 408705980 RZXZFUKESXJYML-UHFFFAOYSA-N 410.495 4.517 0 40 HJAB COc1cc(Br)cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)c1O 408999227 QCMVOMJQUDZKGT-UHFFFAOYSA-N 421.316 4.810 0 40 HJAB CC(C)CN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)c2ccccc21 409112461 CWOWILONQHUWGJ-CHHVJCJISA-N 400.272 4.721 0 40 HJAB O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 604215637 YNOBCZQGHGHBPY-UHFFFAOYSA-N 421.451 4.612 0 40 HJAB O=C(NCC1(c2ccsc2)CCOCC1)NC(c1ccccc1)c1ccccc1 952989823 OBNUXWZZIVPYAW-UHFFFAOYSA-N 406.551 4.885 0 40 HJAB O=C(CCc1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1775975443 HDIFUGLOXXAMMG-IRXDYDNUSA-N 411.855 4.883 0 40 HJAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCCCCC5)C4=O)cc3)sc2c1 689511 OQMLVSOSOHGAHK-FQEVSTJZSA-N 419.550 4.780 0 40 HJAB Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)Nc3ccccc3)n2C)cc1Cl 917276 RAWRGJGXMQNGNJ-AWEZNQCLSA-N 415.950 4.508 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)cc3Cl)C2=O)cc1 1008332 UKZPDXVNWBTOII-PXNMLYILSA-N 421.305 4.977 0 40 HJAB Cc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCCc3ccccc32)cc1 1337695 ULJARBUOMMGKEL-DEOSSOPVSA-N 413.500 4.711 0 40 HJAB Cc1c(C)c2cc(Cl)c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2oc1=O 2093964 LYLMAFYSXKLKGU-KRWDZBQOSA-N 423.893 4.518 0 40 HJAB biogenic CCOCCCn1c(SCc2c(F)cccc2Cl)nc2ccccc2c1=O 2973445 NINPOEBIRPQRRI-UHFFFAOYSA-N 406.910 4.908 0 40 HJAB CCCCCCc1nnc(NC(=O)c2ccccc2I)s1 3016581 JDPFJJCRWXAFQV-UHFFFAOYSA-N 415.300 4.518 0 40 HJAB CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccccc3N3CCCCC3)cc2C1=O 3294342 NVKKNWONMYIRPO-UHFFFAOYSA-N 419.525 4.571 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2I)cc1 4689065 XUEZKZDUCMDSFL-UHFFFAOYSA-N 409.267 4.606 0 40 HJAB COc1ccc(N2C(=O)C[C@]2(C(=O)Nc2c(C)cccc2C)c2cccs2)cc1 5451003 WVQLKCCPWBCOFR-HSZRJFAPSA-N 406.507 4.644 0 40 HJAB CN(C)[C@H](CNc1nc(-c2cccnc2)nc2sc3c(c12)CCC3)c1ccco1 6541416 GCSHYHBRMWJLMK-MRXNPFEDSA-N 405.527 4.550 0 40 HJAB CC(=O)c1ccc(O[C@@H](C)C(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)cc1 6578560 RMJPBKBWSPLBAK-ZFWWWQNUSA-N 416.930 4.834 0 40 HJAB O=C(Nc1ccnn1Cc1ccco1)c1cccnc1Sc1ccccc1Cl 6847878 FOGOTKGAPBYNPV-UHFFFAOYSA-N 410.886 4.976 0 40 HJAB CCCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1nnc(-c2ccco2)o1 7018561 WUWXCSPHYOISLM-UHFFFAOYSA-N 416.481 4.994 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2oc3ccc(Br)cc3c2C)c(C)c1 7062432 SKKPJSAXNCTGJO-UHFFFAOYSA-N 416.271 4.916 0 40 HJAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc(NC(=O)c2ccccc2)cc1 7905770 QJYHAOVJWKICOC-UHFFFAOYSA-N 418.522 4.718 0 40 HJAB O=C(O)COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)cc2)cc1 8703680 PBZJHKSHWSOJNO-NRFANRHFSA-N 408.841 4.575 0 40 HJAB Cc1ccccc1-n1c(SC[C@H]2COc3ccccc3O2)nnc1-c1cccnc1 8724344 AHGPQXYVNGJLSK-GOSISDBHSA-N 416.506 4.570 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1cc2ccccc2o1 8784743 MUNKLUGPYQVXOB-UHFFFAOYSA-N 420.494 4.645 0 40 HJAB CSc1ncc(Cl)c(C(=O)Nc2nnc(SCc3ccc(C)cc3)s2)n1 9431760 JCSAWWKDDZMDKN-UHFFFAOYSA-N 423.976 4.556 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2c(oc3ccccc32)c1=O 9752159 YYYOKZJWJNEDCL-UHFFFAOYSA-N 413.886 4.547 0 40 HJAB CC(=O)NCCc1ccc(-c2csc(NC(=O)c3cc4ccccc4s3)n2)cc1 11499978 IAVVNDRUGCEOLH-UHFFFAOYSA-N 421.547 4.956 0 40 HJAB O=C(c1ccccc1)C1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1 12767783 ZEUNJMRFMSBUKR-UHFFFAOYSA-N 412.533 4.815 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 12786915 AYGVFKMGMIRKRQ-LSDHHAIUSA-N 412.481 4.544 0 40 HJAB Cc1ccc(NC(=O)Cc2nc(COc3cccc4c3OC(C)(C)C4)cs2)cc1 12793954 DCTFYQSPNWCCJH-UHFFFAOYSA-N 408.523 4.925 0 40 HJAB CCCN(Cc1ccc(OCC)c(OCC)c1)C(=O)c1cc2ccccc2oc1=O 12814385 JJASPLXSMPQDMA-UHFFFAOYSA-N 409.482 4.643 0 40 HJAB O=C(NCc1nnc2ccccn12)c1cccc(CSc2ccc(Cl)cc2)c1 12844851 BAMCNCZKLNZEFW-UHFFFAOYSA-N 408.914 4.605 0 40 HJAB COc1cc(C(=O)NCCSc2ccc(Br)cc2)ccc1OC(C)C 12920253 SXQSCYOGBWFBKK-UHFFFAOYSA-N 424.360 4.767 0 40 HJAB CCn1c(SCc2nc(-c3ccc(C)c(F)c3)no2)nnc1-c1cccs1 14196449 DMAYRUBCZNICPO-UHFFFAOYSA-N 401.492 4.816 0 40 HJAB C[C@H]1CCc2ccccc2N1C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 14196565 FANDBXCQGJRNFU-AWEZNQCLSA-N 421.547 4.554 0 40 HJAB CC(=O)N1CCc2cc(NC(=O)c3cn(Cc4ccccc4)c4ccccc34)ccc21 15760069 NIMKVMWVHCLSEJ-UHFFFAOYSA-N 409.489 4.851 0 40 HJAB CCCCOc1c(I)cc(CNC2CCCCC2)cc1OC 16639134 GYTHJXILECVEAB-UHFFFAOYSA-N 417.331 4.901 0 40 HJAB Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5)oc4C)ccn3n2)cc1C 16840046 MRQXHTIFOPMMKH-UHFFFAOYSA-N 410.477 4.792 0 40 HJAB CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19081333 PNXWBBCADAEIOM-HXUWFJFHSA-N 401.514 4.992 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cc1OC 19082412 WASXPIOWNTWMBQ-WMZOPIPTSA-N 412.530 4.820 0 40 HJAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4cc(C(C)C)[nH]n4)CC3)c2)cc1 19691085 UFHNKDRRQPGUQZ-UHFFFAOYSA-N 418.541 4.932 0 40 HJAB COc1ccccc1/C=C/CN1[C@H](Cc2ccccc2F)C[C@@H]2NC(=O)CCCC[C@H]21 19712826 JRNYNSQMBJARRJ-WMZVREIMSA-N 422.544 4.592 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 20039740 CCVVFPXQBKXSMD-HXUWFJFHSA-N 400.906 4.762 0 40 HJAB Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1 20488409 CWSBIDFLCWPXQE-UHFFFAOYSA-N 422.550 4.902 0 40 HJAB COc1cccc(-c2nnc(SCc3ccc(I)cc3)o2)c1 21146982 WEHALFYYAFDLNF-UHFFFAOYSA-N 424.263 4.642 0 40 HJAB COc1ccc2cc(CN(C)C(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)ccc2c1 21934268 FUCHCILNKDEZMY-UHFFFAOYSA-N 404.510 4.912 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)N2CCC2)nnc1-c1ccc(C(C)(C)C)cc1 24774085 KXWWJLVQJSECBP-UHFFFAOYSA-N 420.582 4.865 0 40 HJAB CCCCc1ccc(-c2csc(NC(=O)C3CCN(C(=O)C(C)C)CC3)n2)cc1 25718899 MWVAXVVHQGPSBK-UHFFFAOYSA-N 413.587 4.986 0 40 HJAB CCc1ccc2oc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)cc(=O)c2c1 28289831 SNEZSWJAPSURSX-FQEVSTJZSA-N 424.928 4.576 0 40 HJAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc(Br)cc1 28831313 AVLGAQNRXRHUSS-UHFFFAOYSA-N 423.723 4.618 0 40 HJAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCC[C@H]1c1nc2ccccc2s1 31392811 YLNLXPNHPAGFJI-FQEVSTJZSA-N 414.534 4.948 0 40 HJAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1cc(Cl)ccc1N1CCCCC1 31487068 PCPUARGYCNADCX-UHFFFAOYSA-N 410.905 4.952 0 40 HJAB CCOc1ccc(NC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 33326094 KDIMMSYEDIMCGL-LJQANCHMSA-N 423.538 4.777 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1OCC 39753493 LRSOPVNOSSPRIE-IBGZPJMESA-N 410.558 4.573 0 40 HJAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 58269001 SCRVFBVYMVFLIT-XMSQKQJNSA-N 409.530 4.680 0 40 HJAB COc1ccc([C@@H]2[C@@H](NC(=O)[C@H](C)Cn3nc(C)c(C)c3C)[C@H]3CCCC[C@H]32)cc1 60016616 NOOYERDNFHPXFP-WNJXPWCBSA-N 409.574 4.542 0 40 HJAB CCN1c2ccc(C(=O)Nc3ccc(C)cc3C)cc2-c2ccccc2S1(=O)=O 65315050 GGCYJEHPTKCPPK-UHFFFAOYSA-N 406.507 4.751 0 40 HJAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 70673062 NEMWYOKGHGSVSC-XORHUKHMSA-N 415.662 4.563 0 40 HJAB biogenic CCN(CC)Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3cc(C)c(C)cc3[nH]2)o1 72346806 GCAGXXGQIUQWFK-NRFANRHFSA-N 408.546 4.982 0 40 HJAB COc1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)n2)c1 72349590 FBSWADCSNUMRBR-FQEVSTJZSA-N 404.485 4.845 0 40 HJAB Cc1nc(-c2ccccc2F)sc1CNC(=O)c1cc(-c2cccs2)nn1C 90592983 GPYMLFUYWPXRPZ-UHFFFAOYSA-N 412.515 4.650 0 40 HJAB COc1ccc(SCC2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)cc1 90608274 MWUQHJCHLFELAT-UHFFFAOYSA-N 408.523 4.995 0 40 HJAB FC(F)(F)c1cc(I)nc2c(Br)cccc12 95470324 FYJLWFBVBOVOKZ-UHFFFAOYSA-N 401.951 4.621 0 40 HJAB Cn1nc(-c2cccs2)cc1C(=O)N1CCS[C@H](c2cc(F)ccc2F)CC1 219325350 FNXMQPBYVRAPDQ-SFHVURJKSA-N 419.522 4.747 0 40 HJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 222937805 UZVXWXOTODHQBW-RTWAWAEBSA-N 421.522 4.668 0 40 HJAB COc1ccc(CCNC(=O)c2ccc(OC)c(COc3ccc(C)cc3)c2)cc1 224120013 GQVZFARFKTZGGB-UHFFFAOYSA-N 405.494 4.564 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 225034297 GEENXJHZKNOYNO-FQEVSTJZSA-N 424.585 4.695 0 40 HJAB COC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)ccc1OC 225763578 SXBFYLZSVXFTRZ-UHFFFAOYSA-N 401.890 4.976 0 40 HJAB C[C@@H](NC(=O)c1snnc1-c1ccc(Br)cc1)c1ccc(F)cc1 225786517 BVTKTLOAPFPSAA-SNVBAGLBSA-N 406.280 4.598 0 40 HJAB CCOc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)C=C[C@@H](c4ccccc4)[C@H]3C2=O)cc1 239402600 QVHCBIHNSPQTPJ-ASDGIDEWSA-N 423.512 5.328 0 40 HJAB COc1ccccc1CC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257306986 SWULCZBCOHPPIQ-NRFANRHFSA-N 408.473 4.709 0 40 HJAB COc1ccc2ccccc2c1CCC(=O)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390829680 FWQRUNUAHVGVPZ-PMACEKPBSA-N 416.521 4.777 0 40 HJAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1C 408623099 OWGQBWHEGLSIDU-UHFFFAOYSA-N 424.522 4.728 0 40 HJAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc2c(cc1Br)OCO2 409098538 QHGNVXZDLAHKTO-JYOAFUTRSA-N 412.161 4.689 0 40 HJAB O=C(c1cc2c(Cl)cccc2[nH]1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 583647581 MUMOMJJBRFKSKD-DODAUVCRSA-N 409.961 4.857 0 40 HJAB biogenic O=C(/C=C/c1ccccc1)N1CCC(c2csc(Nc3ccc(F)cn3)n2)CC1 585292592 PJVRSANGKJEVDG-RMKNXTFCSA-N 408.502 4.840 0 40 HJAB CCOc1ccccc1CN1CCCCCCCN(C(C)=O)c2cc(CO)ccc2C1 643563803 WZSIAGXQXFKPOV-UHFFFAOYSA-N 424.585 4.897 0 40 HJAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)CC(C)(C)C 643583573 BTUACXXCLQSFCX-IBGZPJMESA-N 402.579 4.611 0 40 HJAB O=C(Oc1cccc2cccnc12)c1cc(I)ccc1Cl 659594 VUAIXZDACHUWMN-UHFFFAOYSA-N 409.610 4.712 0 40 HJAB C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(Br)cc1 873404 LAYDASPHQIBIKY-NSHDSACASA-N 404.289 4.618 0 40 HJAB CCc1ccccc1-n1cc2c(c1-c1ccc(C(C)(C)C)cc1)c(=O)n(C)c(=O)n2C 2210456 PFSPMFDKKRCQFB-UHFFFAOYSA-N 415.537 4.555 0 40 HJAB Cc1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c2c3c(c(=O)oc2c1)CCC3 2337329 HYOWSAVKGPPGHV-UHFFFAOYSA-N 417.383 4.626 0 40 HJAB CN1CCN(c2ccc(NC(=O)c3cccc4c(Br)cccc34)cc2)CC1 2437608 QITZEBGSRSRWFE-UHFFFAOYSA-N 424.342 4.606 0 40 HJAB COC(=O)c1c(NC(=O)COc2ccc3oc4ccccc4c3c2)sc2c1CCC2 3256979 UZADRILSWONRHC-UHFFFAOYSA-N 421.474 4.940 0 40 HJAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)NC1CCCCC1 3467715 HFWJZNPOINVBCJ-UHFFFAOYSA-N 402.494 4.816 0 40 HJAB O=c1c2ccccc2n2c(SCc3ccc(F)cc3)nnc2n1Cc1ccccc1 4500631 BBAVNNBCGNDNFO-UHFFFAOYSA-N 416.481 4.524 0 40 HJAB Cc1ccccc1-n1cnnc1SCC(=O)NC(c1ccccc1)c1ccccc1 4501186 PCOWXAWIHZHWQR-UHFFFAOYSA-N 414.534 4.574 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4593057 WNJXBOGCYMJUMP-JHKMYJBPSA-N 423.553 4.840 0 40 HJAB COCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)c1ccccc1F 4880828 UEEDKQQKLDBPDK-UHFFFAOYSA-N 400.881 4.933 0 40 HJAB O=C(CSc1[nH]c(-c2ccc(F)cc2)nc1-c1ccccc1)NCc1ccco1 4927689 SRGWTBNBZDTLNP-UHFFFAOYSA-N 407.470 4.884 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269322 RLRYXRXFYXIVQJ-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB COc1ccc(-c2nc(S)c3c(n2)Oc2ccc(Br)cc2C3)cc1 6009111 DJTQRFUCPDHEEY-UHFFFAOYSA-N 401.285 4.900 0 40 HJAB COc1cc(CCC(=O)Oc2ccc3oc4c(c3c2)CCCC4)cc(OC)c1OC 6083582 OVLYENJJPZPSOF-UHFFFAOYSA-N 410.466 4.876 0 40 HJAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)c(OC)c1 6642102 OPSSSWJBIKGPHY-QYMZHNDZSA-N 421.537 4.612 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccnn1C1CCCCC1 7718716 KGRXRGOGTOHXCC-UHFFFAOYSA-N 411.531 4.933 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(OC)cc3)o2)cc1 8130657 MPDJJRVZPNJJGE-OAHLLOKOSA-N 411.527 4.955 0 40 HJAB CC1CCN(c2ccc(NC(=O)CSc3nccn3Cc3ccccc3)cc2)CC1 8162504 LWKYHGDYNMSICY-UHFFFAOYSA-N 420.582 4.899 0 40 HJAB CCOc1ccc([C@H]2CCCN2Cn2nc(-c3ccc(OC)cc3)n(C)c2=S)cc1 8189865 ZLNNATZIJWAGIJ-OAQYLSRUSA-N 424.570 4.820 0 40 HJAB CCN1CCN(c2ccc(NC(=O)c3cc4ccccc4cc3OC)cc2C)CC1 8340861 UVDMCAVZGBWMOW-UHFFFAOYSA-N 403.526 4.551 0 40 HJAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(Cl)c3)ccc21 8959081 FLIGCTFMWHAZSF-UHFFFAOYSA-N 400.906 5.000 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 9063642 BGWNXQBTJQKHLM-UHFFFAOYSA-N 412.505 4.633 0 40 HJAB O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)Nc1ccccc1F 9283008 RDRYDMVUHCLCMF-UHFFFAOYSA-N 419.865 4.924 0 40 HJAB Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)c1cc(F)ccc1F 9403968 PQPRIKKBFZVJKS-UHFFFAOYSA-N 417.462 4.746 0 40 HJAB COc1cc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc(OC)c1 9583484 QBCINUBGXRLVQY-HYARGMPZSA-N 420.490 4.552 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl 9663861 GQVMDTHWBLZWSS-UHFFFAOYSA-N 421.353 4.926 0 40 HJAB CCn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1cc2ccccc2o1 10136574 LXRGCCRMZXFJIQ-UHFFFAOYSA-N 414.437 4.720 0 40 HJAB COc1cccc(CNCCCn2ccnc2)c1OCc1ccc(Cl)cc1Cl 10313997 SKEQOSDHXUAXEN-UHFFFAOYSA-N 420.340 4.957 0 40 HJAB COc1cc(OC)c(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1Cl 11601366 MTOZRLZNFQLDIB-HNNXBMFYSA-N 424.884 4.502 0 40 HJAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 12293642 NPNNXCGYPNRXQH-PMACEKPBSA-N 422.352 4.686 0 40 HJAB C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(F)cc3Br)n2)C1 12793545 RLGFRBOZABPVDM-NSHDSACASA-N 412.328 4.529 0 40 HJAB COc1cc(C=O)ccc1OCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 12899927 BLLRYWXYMIDITJ-UHFFFAOYSA-N 411.841 4.971 0 40 HJAB Cc1nc(CSc2ccccc2C(=O)Nc2cccc(Br)c2)no1 12927278 MVFICBMMTQEIPY-UHFFFAOYSA-N 404.289 4.685 0 40 HJAB CCOc1cc2c(cc1NC(=O)c1cc(C3CC3)nn1-c1ccccc1)O[C@H](C)C2 12979031 PASMAJGUNCKODH-OAHLLOKOSA-N 403.482 4.724 0 40 HJAB CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)c3ccc(F)c(F)c3)cc2)cc1 14674439 MDPAJDWUEQCUJS-AWEZNQCLSA-N 424.399 4.985 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 16943162 OADTVVOEXVQPLD-UHFFFAOYSA-N 416.477 4.549 0 40 HJAB CC1=C(NC(=O)c2cc(-c3cccc(Cl)c3)on2)[C@@H](C)NN1Cc1ccccc1C 20418506 QIIBWRRTVJPZNB-OAHLLOKOSA-N 422.916 4.674 0 40 HJAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)cc2)CC1 21578035 NNQVBSGEUFFRDT-UHFFFAOYSA-N 420.340 4.694 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)NCc1ccc(OC(F)F)cc1 22765772 ZAIYUESPYBXFSN-UHFFFAOYSA-N 419.453 4.510 0 40 HJAB Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(C)n1 22885100 PWTUKCGPVXFVQO-UHFFFAOYSA-N 418.280 4.749 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnc(COc2ccc(F)cc2)o1 23553122 QEKXDJQPNFZQFT-OLMNPRSZSA-N 422.522 4.884 0 40 HJAB COc1ccc([C@@H](NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C(C)C)cc1 24334775 XIBPNSCQFUOAOJ-FQEVSTJZSA-N 421.994 4.635 0 40 HJAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2F)s1 24834235 LQVXEHYLCGUEHV-FMIVXFBMSA-N 415.511 4.918 0 40 HJAB O=C(Cc1csc(-c2ccco2)n1)NC[C@H](c1ccccc1Cl)N1CCCC1 25094469 ILNGZLWZNZINLF-GOSISDBHSA-N 415.946 4.552 0 40 HJAB Cc1c(C(=O)NC[C@@H](c2ccsc2)N(C)C)oc2ccc(Br)cc12 25328907 LKHSRUVBZROHKD-HNNXBMFYSA-N 407.333 4.598 0 40 HJAB COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc3cccnc23)cc1 28248236 WTGIBYUPZBMPPN-UHFFFAOYSA-N 404.491 4.639 0 40 HJAB COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc(F)cc2)cc1 28288723 HTBAKDWSXHLESP-VWLOTQADSA-N 418.468 4.942 0 40 HJAB C[C@H](OC(=O)c1cc2cc(Br)ccc2[nH]1)c1nnc(-c2cccs2)o1 31458138 NXEZOMOUEHEOCS-VIFPVBQESA-N 418.272 4.960 0 40 HJAB COc1ccccc1[C@H](CNC(=O)c1ccc(CSc2ccccc2)o1)N(C)C 32695545 SSFLYQREBULKMS-FQEVSTJZSA-N 410.539 4.613 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(C)n(-c3nccs3)c2C)c1 32809678 CAZHSVICFORVMJ-IBGZPJMESA-N 411.527 4.545 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCCCC[C@@H]1c1cccn1C 32841743 OISQYVMLYYYLOF-HNAYVOBHSA-N 405.336 4.699 0 40 HJAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1cnc(-c2ccc(Cl)cc2)nc1 35317019 KRTLWAXAVUVYAD-UHFFFAOYSA-N 405.807 4.788 0 40 HJAB Cn1c(-c2cccc(NC(=O)Cc3ccc(-n4cccn4)cc3)c2)nc2ccccc21 40155057 CKWZHAIHUUOPGQ-UHFFFAOYSA-N 407.477 4.607 0 40 HJAB COc1ccc(-n2nc3c(c2NC(=O)c2cc(-c4ccccc4)on2)CSC3)cc1 43939696 WAKZMPLFINAPOW-UHFFFAOYSA-N 418.478 4.535 0 40 HJAB C[C@@H](OCCCNc1cnn(-c2ccc(F)cc2F)c(=O)c1Cl)c1ccccc1 59376380 UKGPFIWDWBHCKS-CQSZACIVSA-N 419.859 4.744 0 40 HJAB COc1cccc(/N=c2\oc3c(OC)cccc3cc2C(=O)Nc2cccc(C)n2)c1 67295634 CUWLXRFKRTXIRV-LCUIJRPUSA-N 415.449 4.638 0 40 HJAB CCOc1cccc(CNC(=O)c2sc(Nc3ccc(Cl)cn3)nc2C)c1 71326353 MIZMSUJNTKJMIQ-UHFFFAOYSA-N 402.907 4.572 0 40 HJAB CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72214493 KZAIZDXKWFDGJY-IBGZPJMESA-N 411.502 4.927 0 40 HJAB Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)c3ccc(N(C)C)cc3)C2)n1 72350696 HAXIYLDOFCIFTL-SFHVURJKSA-N 406.555 4.599 0 40 HJAB O=c1ccc(-c2nc(-c3ccsc3)no2)cn1Cc1ccc(OC(F)(F)F)cc1 77200451 DFKQIAAZEDNZMQ-UHFFFAOYSA-N 419.384 4.574 0 40 HJAB Cc1ccc(C(=O)Nc2c(C(F)F)n[nH]c2C)cc1NC(=O)c1ccccc1F 95456722 ZBQDXBOFRQINMF-UHFFFAOYSA-N 402.376 4.608 0 40 HJAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)C1 100280669 JHHYNSRRIQGYKY-KYEFYLGCSA-N 402.538 4.885 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 165717759 KABJQUAJMTVBJC-YHDSQAASSA-N 416.521 4.599 0 40 HJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1nnc(SCc2ccccc2)s1 222687895 XRZZDUHWUMRSQR-HNNXBMFYSA-N 415.540 4.635 0 40 HJAB CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1 223046519 MSCRQDFCYKSJQM-DEOSSOPVSA-N 420.940 4.616 0 40 HJAB COC(=O)c1cc2cc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)ccc2s1 224059357 MDPOLIDYVCIZGG-UHFFFAOYSA-N 411.870 4.779 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224120140 UCGSLXRADBVAGH-QHCPKHFHSA-N 408.586 4.860 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 224591451 ONEBWQPPOAEDGI-QHCPKHFHSA-N 424.585 4.570 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C(=O)OC)ccc1Cl 224740795 YDJCFTCFZXDHCA-FQEVSTJZSA-N 401.890 4.802 0 40 HJAB O=C(c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1)N1CCN(c2ccccc2)CC1 225268269 RBRHPUUYTPYMKB-UHFFFAOYSA-N 416.912 4.846 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 225398077 WTMVIVLANARZOX-QGZVFWFLSA-N 414.977 4.733 0 40 HJAB CC[C@H](CNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)Cc1ccccc1 225633582 HIMIBDVQZAOCBE-IBGZPJMESA-N 409.599 4.868 0 40 HJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225738836 HOFCTQOZOSTGMY-YOSAUDMPSA-N 404.595 4.967 0 40 HJAB COc1ccc(OC)c([C@@H](O)CN2CCc3sccc3[C@H]2c2cccs2)c1 248148386 UNYKOJHHYVKMAP-UWJYYQICSA-N 401.553 4.508 0 40 HJAB CCCCC(=O)N1CCC[C@@H]1c1nc(COc2ccc(Cl)cc2)c(C(=O)O)s1 257343405 ZSVYFKSOFMYNGA-MRXNPFEDSA-N 422.934 4.927 0 40 HJAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CSCN1C(=O)OCc1ccccc1 408736734 GOTVGCSQEGXKFC-MRXNPFEDSA-N 411.310 4.644 0 40 HJAB Cc1ccc(-c2ccc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)o2)cc1C 408849307 ZLRNFEUTCWXWRJ-UUYOSTAYSA-N 400.503 4.951 0 40 HJAB CC1=C(c2ccccc2)N[C@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)S1 408910722 JALVIZBPWBWQAY-NSPYISDASA-N 409.338 4.886 0 40 HJAB O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1cc(Cl)cc(Cl)c1 409167299 ICJFSXMRPGJWHH-UHFFFAOYSA-N 410.282 4.730 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3C)o2)cc1 409351223 ZNXDMRCSGJVWBG-UHFFFAOYSA-N 417.918 4.904 0 40 HJAB Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)N[C@H](C)[C@@H]1CCCOC1 504861164 IVDSIZHEJZCVOA-UKRRQHHQSA-N 417.347 4.728 0 40 HJAB Cn1ccc2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)cc21 1522673898 WJJCBSHCSWYBAJ-GOSISDBHSA-N 416.308 4.728 0 40 HJAB CCOc1ccc(Br)cc1S(=O)(=O)Oc1ccc2ccccc2c1 1659225887 WHVJKISTZCLLSH-UHFFFAOYSA-N 407.285 4.769 0 40 HJAB COc1ccc(-c2csc(N(C)C(=O)c3ccc(Br)cc3)n2)cc1 929061 MRCZTHRRSBGTKZ-UHFFFAOYSA-N 403.301 4.858 0 40 HJAB Fc1ccc(-n2ncc(-c3nnnn3-c3ccccc3)c2-c2cccc(Cl)c2)cc1 1041260 KFZSSYUGOZSLEH-UHFFFAOYSA-N 416.847 4.975 0 40 HJAB CCCC(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccccc4)sc3C)ccc21 1365715 WFOVTPIUOUBFJB-UHFFFAOYSA-N 419.550 4.989 0 40 HJAB O=C(OCC1(COC(=O)c2ccccc2)CCc2ccccc2C1=O)c1ccccc1 1387885 NXAWXNAEUIPBQA-UHFFFAOYSA-N 414.457 4.516 0 40 HJAB O[C@@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1)[C@@H]1CCCCN1 1568036 OCVRKDMRZFCUEE-YOEHRIQHSA-N 404.354 4.962 0 40 HJAB in-man COc1ccc(NC(=O)c2cn3nc(C)c(-c4ccc(Cl)cc4)c3nc2C)cc1 2200818 ORTDVUHGDGUHFY-UHFFFAOYSA-N 406.873 4.927 0 40 HJAB COc1ccccc1C1=N/C(=C\c2cccc(NC(=O)c3ccc(C)cc3)c2)C(=O)O1 2616339 AEJLRPXGSITWJZ-QNGOZBTKSA-N 412.445 4.600 0 40 HJAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(O)c2)N1Cc1ccc(F)cc1 2704497 YJMBJBBFEIOECJ-OAQYLSRUSA-N 419.383 4.522 0 40 HJAB O=C(Nc1ncn(Cc2cccc(C(F)(F)F)c2)n1)c1ccc(Cl)cc1Cl 2798486 NDHPIZOYAYACBD-UHFFFAOYSA-N 415.202 4.904 0 40 HJAB COc1cccc(NCc2ccccc2OCC(=O)Nc2ccc(C(C)=O)cc2)c1 3280053 NVVVAYMQABMWRP-UHFFFAOYSA-N 404.466 4.527 0 40 HJAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 3408935 SSVTZAUMEGENCK-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 4079127 SBAJJUVSZKJRQE-UHFFFAOYSA-N 403.935 4.920 0 40 HJAB Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)no1 4221086 TXFOEYMJLNKAOK-UHFFFAOYSA-N 412.902 4.765 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 4516143 ZSEZHPANLYRIJT-UHFFFAOYSA-N 418.522 4.934 0 40 HJAB O=C1CN(c2cccc(Cl)c2Cl)C(=O)CN1c1cccc(Cl)c1Cl 4700512 VSHOBTUWQNUNTG-UHFFFAOYSA-N 404.080 4.680 0 40 HJAB COc1ccc(CN(C)CC[C@]2(c3ccccc3)C[C@@H](C)N(C)C[C@H]2C)cc1OC 5355911 OJEZOEWJJBKOBO-YPCDYVTLSA-N 410.602 4.824 0 40 HJAB biogenic O=Cc1cc(Br)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 5871799 NLYXKXFMPQANSL-UHFFFAOYSA-N 403.059 4.586 0 40 HJAB CC(C)Oc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 6239103 ZLDWRFOGDKNTRO-UHFFFAOYSA-N 408.420 4.582 0 40 HJAB CCc1ccc(NC(=O)c2ccc(CSc3nnnn3-c3ccccc3)cc2)cc1 6356255 BNZNEKSGOVXSIX-UHFFFAOYSA-N 415.522 4.769 0 40 HJAB Cc1ccc(NC(=O)CN(CCC(C)C)CC(=O)Nc2ccc(C)c(C)c2)cc1C 6551088 VREFOQNXADQGNO-UHFFFAOYSA-N 409.574 4.846 0 40 HJAB COc1ccc(Br)cc1/C=C(\Sc1nc2ccccc2o1)C(=O)O 7603005 HVBPJTLXQRVAMU-DHDCSXOGSA-N 406.257 4.817 0 40 HJAB COc1ccc([C@H](NC(=O)CN2CCC[C@@H]2c2cccs2)c2ccccc2)cc1 7606423 WPBDKNVLMQCNAY-ZJSXRUAMSA-N 406.551 4.799 0 40 HJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NCCc1ccccc1 8392497 NAAIPVGNPWAEQX-UHFFFAOYSA-N 410.521 4.923 0 40 HJAB COC(=O)c1ccc2nc(NC(=O)c3ccc(OCc4ccccc4)cc3)sc2c1 8904230 VILYNMDBZPLVRI-UHFFFAOYSA-N 418.474 4.914 0 40 HJAB CC(=O)Nc1cccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 9128246 ATAFUYAIWUACKE-UHFFFAOYSA-N 422.868 4.547 0 40 HJAB CCCc1nnc(NC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)s1 9358320 VYQXQXZWGUHHCB-UHFFFAOYSA-N 410.499 4.640 0 40 HJAB COc1ccc(-c2cccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)nn1 9715015 RZNUIJFPHXODRF-UHFFFAOYSA-N 417.490 4.620 0 40 HJAB COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)c3ccccc3)c3nccs3)C2)cc1 12183411 KQBLGLBANFPENM-IFMALSPDSA-N 421.566 4.535 0 40 HJAB Cc1ccc(C)c(-c2nc(C)sc2CC(=O)N2CCCC[C@H]2CN2CCCC2)c1 12238216 AGIAESLKGNUKNU-FQEVSTJZSA-N 411.615 4.755 0 40 HJAB C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 12535047 WXDBOLLWFBPXHF-QMMMGPOBSA-N 412.660 4.707 0 40 HJAB Fc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 12561611 KVRHKXLTAFXWKC-GBXCKJPGSA-N 402.425 4.839 0 40 HJAB Cc1cc(C(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)c(C)o1 12770335 QDASXVLFBMJLOQ-UHFFFAOYSA-N 402.494 4.616 0 40 HJAB CN1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 13591752 OTUKDDLHXSNQFC-NIJIEXERSA-N 422.937 4.777 0 40 HJAB CC(C)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 13677985 IPZIICIPPMUUAN-UHFFFAOYSA-N 414.552 4.949 0 40 HJAB CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 13684477 QIDDEYJJPWGIDO-UHFFFAOYSA-N 416.521 4.800 0 40 HJAB CCCCc1c(O)nc(SCC(=O)c2ccccc2)n(-c2ccccc2C)c1=O 13773808 BMFRFZMISHVQEX-UHFFFAOYSA-N 408.523 4.564 0 40 HJAB COc1ccc(C(=O)Nc2nc(CC(=O)Nc3cc(Cl)ccc3C)cs2)cc1 17121283 IHIDQXVGNIQCCA-UHFFFAOYSA-N 415.902 4.547 0 40 HJAB C[C@H]1CCCN(c2nc(Nc3ccc(F)cc3)c3cnn(-c4ccccc4)c3n2)C1 17245748 IBLXPJGIPVKXMB-INIZCTEOSA-N 402.477 4.935 0 40 HJAB Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2Cc2cccc(OC(C)C)c2)on1 19122528 NIIPEZZHKQONCO-NRFANRHFSA-N 421.545 4.630 0 40 HJAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 19236818 CYNZVDQDPCZVBW-BWKNWUBXSA-N 417.528 4.912 0 40 HJAB Cn1cc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)n1 19290080 JEGTYAQTQDHGRI-LJQANCHMSA-N 414.431 4.868 0 40 HJAB CCCc1ncc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cn1 19525772 PTTYWFKAYKNPKY-RUZDIDTESA-N 403.526 4.594 0 40 HJAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN3C(=O)CCCn3ccnc3C)c2)c1 19692053 DJWPVAUTLRDJRP-RUZDIDTESA-N 416.569 4.938 0 40 HJAB Cc1nc([C@@]2(O)CCCN(CC(C)(C)C)CC2)sc1CCOc1ccc(F)cc1 19738741 REARGFREOMOAEP-HSZRJFAPSA-N 420.594 4.932 0 40 HJAB O=C(CSCc1c(Cl)cccc1Cl)NCc1ccccc1-n1ccnc1 20493754 DINSIXURVJSFOW-UHFFFAOYSA-N 406.338 4.729 0 40 HJAB COc1ccc(C(=O)Cn2c(=N)n(Cc3ccccc3Cl)c3ccccc32)cc1 20841417 RBIKMQFQYNUQPA-UHFFFAOYSA-N 405.885 4.515 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12 21957885 XVTTVLGIJOLDLJ-UHFFFAOYSA-N 421.478 4.915 0 40 HJAB O=C(NC1CCCCC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 24243915 JQTRMXTTZIMWMX-UHFFFAOYSA-N 405.342 4.972 0 40 HJAB Cc1c(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCOCC2)oc2ccc(F)cc12 28291634 YIHAIIMOXPTASR-QFIPXVFZSA-N 424.516 4.807 0 40 HJAB CCc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 30755641 URYLMLUGRZAMOF-UHFFFAOYSA-N 414.914 4.956 0 40 HJAB CCc1ccccc1NC(=O)Cn1c(COc2ccccc2OC)nc2ccccc21 31903554 HSFGLRFCOIXAIE-UHFFFAOYSA-N 415.493 4.825 0 40 HJAB Cc1ccc(C2=NN(C(=O)c3ccc(C(C)(C)C)cc3)[C@@](O)(C(F)(F)F)C2)cc1 32101117 ZMONJDRLEVGSRC-NRFANRHFSA-N 404.432 4.794 0 40 HJAB C[C@H]1Cc2cc(Br)cc3c(=O)c(C(=O)NC4CCCCCCC4)cn1c23 33089247 QEFRIXKXUDBMKK-ZDUSSCGKSA-N 417.347 4.724 0 40 HJAB O=C(Nc1ccccc1Br)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38834882 DCUDODIPSVJOGB-OAHLLOKOSA-N 407.739 4.953 0 40 HJAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 40104761 DQAQZXBSOGSVFS-LIRRHRJNSA-N 401.894 4.682 0 40 HJAB Cc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)c(F)c1 40134532 OHLKQVLELRWDDC-UHFFFAOYSA-N 406.383 4.532 0 40 HJAB CCOc1ccccc1CNC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 44920053 VDEUWFHNWHACIO-UHFFFAOYSA-N 421.368 4.921 0 40 HJAB CSc1nc2ccc3nc(NC(=O)c4ccc(N(C)C)cc4)sc3c2s1 49026007 QBOPPRYINHOGPY-UHFFFAOYSA-N 400.554 4.946 0 40 HJAB Cn1cc(C(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)c2ccccc21 65878644 OPEXBDWESDECPT-UHFFFAOYSA-N 408.299 4.621 0 40 HJAB biogenic COc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)Nc2cccc(C)n2)cc1 67190116 HRHZYOMHYSMPGM-LCUIJRPUSA-N 415.449 4.638 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)cc1 72357968 SDSXGFZCFVVBJB-XMMPIXPASA-N 404.485 4.726 0 40 HJAB CC(=O)Nc1cc(NC(=O)c2c3c(nc4ccc(C)cc24)CCCC3)c(F)cc1F 84208153 XGWNDVIUSIHHNP-UHFFFAOYSA-N 409.436 4.911 0 40 HJAB Cc1cccc(CC(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3ccncc3)CC2)c1 100738830 KWLCBMXATDXQDK-UHGJSFDGSA-N 414.553 4.788 0 40 HJAB CCOc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)cc1OC 102606849 RIMSCSPMGBPCQV-UZUQRXQVSA-N 416.481 4.751 0 40 HJAB O=C(Nc1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1)c1cnccn1 208007287 FVSWARHYIJYOBY-UHFFFAOYSA-N 409.421 4.874 0 40 HJAB CCOc1ccc(CNC(=O)COc2ccc3ccccc3c2Br)cc1 218906357 DORQMKFTHCBSRJ-UHFFFAOYSA-N 414.299 4.696 0 40 HJAB CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1NC(C)=O 223739711 XBRUTMHZFXXYEJ-CQSZACIVSA-N 420.600 4.704 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1C 224666683 IQBZZVBLSMQGCC-OAQYLSRUSA-N 406.570 4.712 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(CC)cc1 224841283 FJGJSKZLOHXKFR-SFHVURJKSA-N 414.977 4.779 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225000619 OSMNBUQXOSSBCK-UXHICEINSA-N 410.558 4.521 0 40 HJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CCc1ccccc1 225153004 PAXVJKNDOBUKLT-LJQANCHMSA-N 410.533 4.625 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 225182678 LJSQQHGVSBBUTM-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB Cc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1N1CCCC1=O 225288974 FBSHFUUVZZXGAH-UHFFFAOYSA-N 420.003 4.854 0 40 HJAB CCOc1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)c(N)c1 226347554 LNOHICQQSIJGTO-UHFFFAOYSA-N 415.287 4.844 0 40 HJAB CC1CCN(c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 408706763 DGHDRWDTRQLJIE-QGZVFWFLSA-N 411.933 4.568 0 40 HJAB COc1ccc(NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1 858103 ZTKPWUYHMYRYOL-DEOSSOPVSA-N 416.521 4.607 0 40 HJAB O=C(c1nn2c(c1Cl)N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCCC1 867011 IXSORWZQEOSZMV-STQMWFEESA-N 416.806 4.572 0 40 HJAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 1439710 AGOLFDNGSYCOJP-SFHVURJKSA-N 406.935 4.546 0 40 HJAB O=C(OCCN1CCCCC1)[C@@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1 1710850 BXGAZMHAVGAZRZ-HHHXNRCGSA-N 415.533 4.619 0 40 HJAB COC(=O)c1ccccc1NC(=O)COc1cc(C)c(Br)cc1C(C)C 2323484 CXXBBSQZOVAFPR-UHFFFAOYSA-N 420.303 4.685 0 40 HJAB CSc1nc2ccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cc2s1 3306489 IMBXJPBNAZHZCY-MRXNPFEDSA-N 400.525 4.828 0 40 HJAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1 3315338 YQKIJOPFJOKNBM-UHFFFAOYSA-N 407.466 4.835 0 40 HJAB COc1ccc([C@@H](CNC(=S)c2cccc(Br)c2)N2CCCC2)cc1 3419272 HTXXLQMHKQYACI-LJQANCHMSA-N 419.388 4.560 0 40 HJAB CCc1nc2ccc(C(=O)Nc3ccccc3C(=O)NC3CCCC3)cc2nc1CC 3419667 AOCKAWBVHLIMRC-UHFFFAOYSA-N 416.525 4.679 0 40 HJAB O=C(NCCSc1ncc(-c2ccc(F)cc2)[nH]1)c1ccc(C(F)(F)F)cc1 4315705 LWADLMNQOBELDQ-UHFFFAOYSA-N 409.408 4.757 0 40 HJAB Cc1ccccc1OCc1nn2c(-c3ccccc3Br)nnc2s1 4664996 KYRDZKNFJZYNAT-UHFFFAOYSA-N 401.289 4.503 0 40 HJAB Cc1cc2c(c(OS(=O)(=O)c3ccc(Cl)cc3)c1)[C@H]1CCCC[C@@H]1C(=O)O2 4746742 YOPJQBZFZYIWIZ-HOTGVXAUSA-N 406.887 4.609 0 40 HJAB O=C(NC1CCCCC1)N1CCn2cccc2[C@@H]1c1ccc(Br)cc1 4854377 PCKXTNGCJDQHAX-IBGZPJMESA-N 402.336 4.698 0 40 HJAB COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3cccc(C)c3)oc12 4937800 QJEZGOUXVKZLCJ-VHXPQNKSSA-N 405.475 4.815 0 40 HJAB Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)c1C 5036686 MWXVTHYVAIWVHH-UHFFFAOYSA-N 409.555 4.790 0 40 HJAB CC(=O)c1ccc(OC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1 5237452 DHCGSLBRVGRZBG-UHFFFAOYSA-N 410.429 4.526 0 40 HJAB CCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 5791943 QMWIFRGRMGOLIY-YUXIIYTGSA-N 400.559 4.998 0 40 HJAB O=C(OCc1csc(-c2ccccc2)n1)C1CCN(C(=O)Nc2ccccc2)CC1 5970535 LECKSDNONZALLU-UHFFFAOYSA-N 421.522 4.797 0 40 HJAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1C 6549566 CWNUXJZWVOPMRF-INIZCTEOSA-N 424.570 4.745 0 40 HJAB COCCn1c(C)cc(C(=O)CSc2nnc(Nc3ccccc3C)s2)c1C 6831899 JKNFONZSUATURF-UHFFFAOYSA-N 416.572 4.630 0 40 HJAB O=S(=O)(N[C@@H](c1ccccc1)c1cccs1)c1ccccc1Br 7702192 HMAHDNUKJAIFQB-KRWDZBQOSA-N 408.342 4.579 0 40 HJAB O=C1CCSc2ccc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)cc2N1 8216679 XQAVALDTRFAWMX-UHFFFAOYSA-N 414.490 4.917 0 40 HJAB CCc1cc2c(=O)c(-c3nnc(-c4ccccc4)s3)c(C)oc2cc1OC(C)=O 8393102 IFSURECXNOWUKB-UHFFFAOYSA-N 406.463 4.775 0 40 HJAB COc1cc(C)c(C(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)cc1C 9226242 UNOGDIPHCPFTLQ-UHFFFAOYSA-N 410.543 4.597 0 40 HJAB COc1ccccc1CNC(=O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12 9523721 IJPVVUFBISTSQV-UHFFFAOYSA-N 402.469 4.696 0 40 HJAB Cc1cc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)no1 9526029 IJZNGCKFQRXWNP-UHFFFAOYSA-N 421.840 4.647 0 40 HJAB COc1ccccc1C(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@H]1c1ccccc1 10060314 YWBROZUSGPSVMC-XZOQPEGZSA-N 424.504 4.976 0 40 HJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1 11116608 NOIFJWJRYVFJMY-VXKWHMMOSA-N 407.539 4.820 0 40 HJAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(N2CCCCC2)cc1 11331805 GUGPFDQMLYBTCD-UHFFFAOYSA-N 420.538 4.567 0 40 HJAB Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@@H](c1ccc(N(C)C)cc1)O2)CCCC3 11866505 DPSZDQXJKIOIBA-FQEVSTJZSA-N 403.478 4.753 0 40 HJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 12455020 XEFRXOBQWZJXNO-UHFFFAOYSA-N 417.433 4.514 0 40 HJAB O=C(CCS(=O)(=O)c1ccccc1)N(c1ccccc1)c1nc2ccccc2s1 12691827 SCPJTINQCZNDOE-UHFFFAOYSA-N 422.531 4.825 0 40 HJAB COc1cc(C)c(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1OC 12764968 NOSVHLMIRNRZID-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB CCOc1c(Br)cc(Cl)cc1NC(=O)[C@H]1COc2ccccc2C1 12821065 LHSQUDFNRAKAFS-GFCCVEGCSA-N 410.695 4.691 0 40 HJAB CC[C@H](CNC(=O)[C@@H](C)Sc1nnc(-c2ccc(C)cc2)n1C)c1ccccc1 12908018 UDXVNEPBGYLFEI-QZTJIDSGSA-N 408.571 4.581 0 40 HJAB O=C([C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1)N1CCCC1 13165354 UZYGPZSWXJBNLH-FQEVSTJZSA-N 404.539 4.601 0 40 HJAB CCOc1ccccc1N1CCN(C(=S)Nc2ccc(SC(F)F)cc2)CC1 13878983 FWKVMPPPEFOQLK-UHFFFAOYSA-N 423.554 4.919 0 40 HJAB O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(NC(=O)c2ccco2)cc1 14902935 SCLSQVXWIFZMGZ-UHFFFAOYSA-N 411.364 4.634 0 40 HJAB CN1CC2=C(NC(=S)N[C@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 18144559 LRZWOWVKVTUTOT-HKFHZZIHSA-N 416.377 4.795 0 40 HJAB OC1(Cn2c(C(F)(F)F)cc3cccnc32)CCN(Cc2ccc(Cl)cc2)CC1 19347114 AKJVRCSWTIMNHV-UHFFFAOYSA-N 423.866 4.736 0 40 HJAB COc1ccccc1-c1nnc(CSc2nnc(COc3cc(C)cc(C)c3)o2)o1 19928368 DZEINXBSCLDBDG-UHFFFAOYSA-N 424.482 4.616 0 40 HJAB Cc1ccc(N2C(=O)N(Cc3ccc(F)cc3)c3ccccc3S2(=O)=O)cc1C 21117269 USNJFKLGXGAGBK-UHFFFAOYSA-N 410.470 4.778 0 40 HJAB CCc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCCCC3)c(O)n2n1 22853134 JWNFQQOTXICVQP-HNNXBMFYSA-N 411.358 4.941 0 40 HJAB O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 23140219 ATOKPCLJNLTRTG-CYBMUJFWSA-N 407.417 4.837 0 40 HJAB CCOc1ccc(-n2c(SCC(=O)NCc3ccccc3)nc3ccccc32)cc1 23230767 NWQKBWLOSALTHE-UHFFFAOYSA-N 417.534 4.833 0 40 HJAB CC(C)(C)c1ccc([C@H](CNC(=O)COc2ccccc2Cl)N2CCCC2)cc1 28288706 XZGONZMFIOCOFD-NRFANRHFSA-N 414.977 4.970 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2nc(C)c(-c3nc(-c4ccccc4)no3)s2)cc1 32093638 DMPAWMYAEKKESQ-JLHYYAGUSA-N 418.478 4.829 0 40 HJAB COc1ccc2cc([C@H](C)C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)ccc2c1 32716679 SIQYGDSQNVPJJV-IBGZPJMESA-N 417.553 4.651 0 40 HJAB COc1ccccc1N1CCN(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 32862951 LCERYRXWKYFDAY-CQSZACIVSA-N 408.329 4.595 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)Cc2nc(-c3ccccc3)oc2C)c(OC)c1 32900462 FRPHQECXGPRVRP-NRFANRHFSA-N 406.482 4.573 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC(C)=O 35105578 DLLVWUGKLDWRFR-ZDLGFXPLSA-N 417.870 4.905 0 40 HJAB Cc1ccc(N(Cc2ccco2)C(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 40059550 GQWYHSUYKVDFTG-SFHVURJKSA-N 408.523 4.735 0 40 HJAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1ccccc1SC[C@H]1CCCO1 40112551 HXJNEBGLAHBCOG-GOSISDBHSA-N 407.495 4.792 0 40 HJAB c1ccc(-c2ncc3c(n2)CCN(c2nc(-c4cccnc4)nc4ccccc24)C3)cc1 40139289 VXFOUCVKGRHLSB-UHFFFAOYSA-N 416.488 4.712 0 40 HJAB Cc1cc(F)ccc1C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 40710602 JIJRUMUJHWYHLC-HSZRJFAPSA-N 419.452 4.669 0 40 HJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1c(F)cccc1Cl 44900446 BFWYPQXTFBKMGV-GFCCVEGCSA-N 402.318 4.949 0 40 HJAB O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCC[C@H]1c1ccsc1 47580639 RVSGOHXXUCNAAO-IBGZPJMESA-N 413.930 4.981 0 40 HJAB COc1ccccc1N1CCN(Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 58122931 PAPPVWFAZBEBSY-UHFFFAOYSA-N 406.526 4.556 0 40 HJAB COc1cccc2cc([C@H](C)NC(=O)c3cc(Br)cnc3Cl)oc12 58225869 ODQMTVUUSBVTJI-VIFPVBQESA-N 409.667 4.743 0 40 HJAB Cc1cccc(Nc2ccccc2C(=O)N2CCCN(c3nccs3)CC2)c1C 58394127 GBPDPSZZKCCNFG-UHFFFAOYSA-N 406.555 4.856 0 40 HJAB CC(C)(C)NC(=O)CSC1=NN=C(c2ccccc2)Cn2c1cc1sccc12 72334580 CSCTXJUQPJPGFX-UHFFFAOYSA-N 410.568 4.515 0 40 HJAB O=C1NCCC[C@H]1Cc1ccc(-c2cccc(C(=O)N3CCc4ccccc4C3)c2)cc1 72356258 CBMCUZUCLYEGIV-DEOSSOPVSA-N 424.544 4.621 0 40 HJAB Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)nnc2c(-c3ccc(F)cc3)cnn12 72461644 VRKAMIBFEBVZLK-UHFFFAOYSA-N 422.876 4.957 0 40 HJAB Cc1sc2nc(CCn3c(C)nc4ccccc43)[nH]c(=O)c2c1-c1ccccc1 96008349 HEUPUQREXFNYPJ-UHFFFAOYSA-N 400.507 4.861 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 222393959 YWWHAIXZHVANSB-OAQYLSRUSA-N 400.950 4.523 0 40 HJAB CC(C)Sc1nnc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)s1 223221278 FTMSKJXQNUAPAR-UHFFFAOYSA-N 410.996 4.543 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 223302806 KPVULSWUOUCICH-QHCPKHFHSA-N 424.585 4.658 0 40 HJAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(C)c3)c2)c1 224130175 CALZCTHPGHYTRM-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 224282793 HNVDTZMEVVRHTB-DEOSSOPVSA-N 406.570 4.712 0 40 HJAB Cc1cccc(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)c1 224671839 KENPRYLHYCWEME-SFHVURJKSA-N 412.961 4.667 0 40 HJAB CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 224728657 UPOASNSUNDYSFD-UHFFFAOYSA-N 409.132 4.971 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCSCc2cccc(C)c2)c(C)c1 225338536 KJYPQPNHDYYBEY-UHFFFAOYSA-N 402.585 4.700 0 40 HJAB Cc1cccc(CSCCNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c1 225339050 WNFYJNGQFNUDOK-UHFFFAOYSA-N 413.612 4.650 0 40 HJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CC 225398317 XTYOJUAMAMUDQU-NRFANRHFSA-N 400.950 4.606 0 40 HJAB CCO[C@@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@@H](C)C1 225715060 GMQQFSBSJNCBED-YKSBVNFPSA-N 402.579 4.721 0 40 HJAB Nc1nnc(/C=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)o1 226338478 NOGIQBFDDKDPTP-SOFGYWHQSA-N 406.667 4.817 0 40 HJAB CC(C)(C)NC(=O)[C@@H]1C[C@@H](c2ccn(C(C)(C)C)n2)[C@H](c2ccc(Cl)c(F)c2)N1 257297886 RJEURSCGRKNECG-JVPBZIDWSA-N 420.960 4.532 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(F)cc2)cc1 408699907 WYYXPVNAHJWNAA-UHFFFAOYSA-N 416.456 4.951 0 40 HJAB CC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1 408709039 WQNOVLLPPJVRGS-UQPPLGOBSA-N 421.379 4.523 0 40 HJAB COc1ccccc1CN1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 585290350 QMFQXSKBKDHHGD-OAHLLOKOSA-N 418.419 4.539 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)Nc1ncnc2sc3c(c12)C[C@@H](C)CC3 751907 GPSZAIULUANNBJ-NSHDSACASA-N 401.919 4.795 0 40 HJAB CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)c(C)c1 902726 QAGALCBHIZSEQG-UHFFFAOYSA-N 410.543 4.930 0 40 HJAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3cc(C)cc(C)c3)[C@H]21 2094979 QVZFMJZZEOVFGY-QHCPKHFHSA-N 414.461 4.640 0 40 HJAB biogenic O=C(CSc1nc(-c2ccccc2Br)n[nH]1)c1c[nH]c2ccccc12 2660725 UWARVGDVJCFNKV-UHFFFAOYSA-N 413.300 4.691 0 40 HJAB O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1cc(Cl)ccc1Cl 3349726 MFVKXSSNXDQPGU-UHFFFAOYSA-N 409.294 4.527 0 40 HJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2C)cc1 3566438 GTYARSTYQZMMKN-UHFFFAOYSA-N 412.486 4.602 0 40 HJAB CCCCCOc1ccc(C(NC(=O)CCCC)NC(=O)CCCC)cc1OC 4185768 LCUVQVMVHJPRTF-UHFFFAOYSA-N 406.567 4.876 0 40 HJAB COc1ccc(-c2nc(C)c(CCNC(=O)c3ccc(Cl)cc3)s2)cc1OC 4392511 UKXOQQVBEIDCBW-UHFFFAOYSA-N 416.930 4.762 0 40 HJAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 4498585 OZAVTLCKKSIOPZ-PGMHBOJBSA-N 406.551 4.998 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1NC(=O)c2c(sc3c2CC[C@@H](C)C3)N1 4543288 MCBSQBXFUYHANF-WYRIXSBYSA-N 412.946 4.875 0 40 HJAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cccc(C)c1 4703957 ZNFXTDZQVYCOJZ-UHFFFAOYSA-N 417.490 4.939 0 40 HJAB Cc1coc2cc3oc(=O)c(CC(=O)NCCc4ccc(Cl)cc4)c(C)c3cc12 4744283 YKXJBVWQIDRJMY-UHFFFAOYSA-N 409.869 4.711 0 40 HJAB CC(C)N(C(=O)CSc1nnc([C@H](C)Oc2ccccc2F)o1)c1ccccc1 4938122 STEQXFTXKZJJOB-HNNXBMFYSA-N 415.490 4.882 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1OCC 5099471 IQENJPVEKAICPY-UHFFFAOYSA-N 410.514 4.672 0 40 HJAB Cc1oc2cc(OCC(=O)N3CCCC3)ccc2c(=O)c1-c1c(F)cccc1Cl 5295293 UKKKZAKVJCEIKR-UHFFFAOYSA-N 415.848 4.562 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(Cl)c1 6206134 PXMJRBDOHPKBOU-UHFFFAOYSA-N 420.962 4.692 0 40 HJAB Cc1cccc(N2C(=O)CS[C@@]23C(=O)N(Cc2ccccc2F)c2ccccc23)c1 6997212 KXHGTTQQQGYLHD-DEOSSOPVSA-N 418.493 4.614 0 40 HJAB O=C([C@@H](Sc1nnc(NCc2ccco2)s1)c1ccccc1)N1CCCCC1 7162008 YLYOLUCSAKTYOC-KRWDZBQOSA-N 414.556 4.589 0 40 HJAB C[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc2c(c1)OCO2 7657092 DRXIQJQKOKZGAB-SECBINFHSA-N 402.661 4.632 0 40 HJAB COCCc1ccc(-c2csc(NC(=O)Cc3c(F)cccc3Cl)n2)cc1 8037968 FZDYPYMPSLHZMW-UHFFFAOYSA-N 404.894 4.973 0 40 HJAB C[C@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc(-c2ccccc2)cc1 8071316 HCVQSZUPSWQXTD-KRWDZBQOSA-N 406.555 4.641 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1F)c1ccccc1Cl 8810358 VJGOHXBLJHVNOD-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB C[C@@H](C(=O)N(C)C)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 9226972 OWVKTZCMDYVZJS-SSOJOUAXSA-N 423.516 4.857 0 40 HJAB Cc1nc(Nc2ncc3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)nc2c(C)cccc12 9350974 JMYMSKHUILEJJA-MRXNPFEDSA-N 413.456 4.832 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2C)cc1 10112459 NHXCJPJXQDTTRP-GOSISDBHSA-N 420.534 4.696 0 40 HJAB COCc1c(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)sc2cccc(F)c12 11748756 DCTZSFFPLAXCJP-UHFFFAOYSA-N 412.486 4.874 0 40 HJAB Cc1ccc(C2=NO[C@H](CC3(C(=O)Nc4ccc(C)c(C)c4)CCOCC3)C2)cc1 12365663 AOKIEGDCZNNIMP-QFIPXVFZSA-N 406.526 4.930 0 40 HJAB Fc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 12561613 KVRHKXLTAFXWKC-HYBUGGRVSA-N 402.425 4.839 0 40 HJAB Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccsc2)c(C)c1 12716969 OQEZVNMTMOVSSE-UHFFFAOYSA-N 422.506 4.721 0 40 HJAB O=C(NCc1coc(-c2cccs2)n1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12783441 OHHNLNKEJMRZGY-AGUYFDCRSA-N 406.598 4.632 0 40 HJAB Cc1cc(C)c(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c(C)c1 12878954 XSUIDWVYVHBYDU-UHFFFAOYSA-N 420.431 4.997 0 40 HJAB O=C(Nc1cccc(Cl)c1)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 15883264 GVAQUNATZUOWME-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 17089003 LRGHDUKCVGKKNL-KRWDZBQOSA-N 411.571 4.979 0 40 HJAB Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4sc(C)nc4C)CC3)noc2n1 19569069 ZSKPFGFJRZZOJB-UHFFFAOYSA-N 424.448 4.643 0 40 HJAB O=C(Nc1cccc([C@H]2CCc3nncn3C2)c1)C1(c2ccccc2F)CCCC1 19699083 YNUTVQRFHDHNQX-SFHVURJKSA-N 404.489 4.598 0 40 HJAB Cc1nc([C@H]2CCCCN2C(=O)C2CCC2)ncc1C(=O)Nc1ccc(Cl)cc1 19753593 IAPKNWLIMKXRMM-LJQANCHMSA-N 412.921 4.544 0 40 HJAB CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3c(C=O)ccnc32)CC1 22059662 YHKJBTXVGIPIKD-UHFFFAOYSA-N 410.901 4.700 0 40 HJAB in-vitro C[C@H]1CC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)N=C1c1ccc(Cl)cc1 25389274 VVMSUYUJTKTDNA-LBPRGKRZSA-N 423.822 4.570 0 40 HJAB CC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 27466437 GYBILXRKMJCPHU-UHFFFAOYSA-N 422.506 4.559 0 40 HJAB CN1CCC2(CC1)C[C@@H](NC(=O)Nc1cccc3ccccc13)c1ccccc1O2 30529152 BJFDRRRGXSOFPT-JOCHJYFZSA-N 401.510 4.950 0 40 HJAB CCCc1sc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1CC 32760586 OUKMTUJCWXSNKM-KRWDZBQOSA-N 400.592 4.601 0 40 HJAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)Nc1c(F)cccc1F 32957715 GUFNOFNSSHZDEU-UHFFFAOYSA-N 407.372 4.756 0 40 HJAB Cc1nccc(-c2cccc(NC(=O)C3(c4ccc(Br)cc4)CC3)c2)n1 33125955 IGICOSUULJKPIJ-UHFFFAOYSA-N 408.299 4.885 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4ccc(C)cc4)nn32)c1 35684480 DQGHJWPQGXYWIA-LJQANCHMSA-N 402.454 4.541 0 40 HJAB O=C(c1ccccc1)c1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 44915863 RAIKXAYWZTXYDR-UHFFFAOYSA-N 416.496 4.907 0 40 HJAB CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@@H]3C(=O)Nc3nccs3)cc2C1 58779509 RYOKLJWBGKMFPV-HUUCEWRRSA-N 417.600 4.599 0 40 HJAB CCN1c2ccccc2-c2nc(SCc3cc(C)ccc3C)ncc2S1(=O)=O 67260047 NCWJFSOVPAHNGO-UHFFFAOYSA-N 411.552 4.581 0 40 HJAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1c(Cl)nc2ccccc2c1Cl 84587575 PUKKPHKIIPOFDZ-UHFFFAOYSA-N 414.292 4.598 0 40 HJAB Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccccc2)cc1)S(C)(=O)=O 113964838 JMRILZMBZOWQCF-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)CCc3ccccc3)c2)cc1 147424491 MKQZIABZFSFKJR-LJQANCHMSA-N 422.550 4.547 0 40 HJAB Cc1cc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc(C)c1Br 218842969 NLWPBNQVXANYNF-KRWDZBQOSA-N 418.331 4.863 0 40 HJAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 219675065 GHTVZNDURRBHSD-OAHLLOKOSA-N 408.361 4.574 0 40 HJAB Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)o2)cc1 223322154 MQVJDJWZRIYNRY-BULFRSBZSA-N 423.513 4.632 0 40 HJAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223355104 IDJNOBIIQLCLGO-PKTZIBPZSA-N 414.534 4.946 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 223648907 CDILMJALJYHLOB-HNNXBMFYSA-N 420.347 4.709 0 40 HJAB Cc1ccccc1CN(C(=O)CSc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 223757568 WRYHRBUNFLIRHZ-IBGZPJMESA-N 410.583 4.563 0 40 HJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)ccc1NC(=O)C(C)C 224077688 NJNIWBXMMXXOPJ-NHCUHLMSSA-N 420.538 4.755 0 40 HJAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C)c2)c(OC)c1 224100040 NMCJPXWEABBXIO-UHFFFAOYSA-N 407.466 4.852 0 40 HJAB CC[C@@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1 224262903 XWSFOXGSLHPVIK-HSZRJFAPSA-N 422.550 4.701 0 40 HJAB CC[C@@H](NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 224363992 PHKMGIVYMKKZSK-HSZRJFAPSA-N 422.550 4.783 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1COc1ccccc1 224364140 FVNBTYZKTJJXTL-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB Cc1ccccc1OCCNC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 224538397 BSVRXICULSABMD-UHFFFAOYSA-N 421.368 4.709 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 225050048 UMLJIWIKGZDQSM-NHCUHLMSSA-N 424.585 4.829 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 225076672 HFLFARRWIXEEMJ-YADHBBJMSA-N 424.585 4.794 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 225094862 SQGFOKQBDKHKTC-VQTJNVASSA-N 412.599 4.560 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 225126008 LNSIBVCYQZPXDV-MOPGFXCFSA-N 414.977 4.913 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)N[C@@H](C)CC)cc1 225411690 PJJSWWTYFPNLKV-VQTJNVASSA-N 424.585 4.522 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCCC1 225614088 PSSLJSRGAFXWHY-DEOSSOPVSA-N 420.553 4.988 0 40 HJAB CCCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCC[C@@H](C)C1 225663768 FVDBOKQMDKGUGZ-YKSBVNFPSA-N 402.579 4.865 0 40 HJAB COc1cc(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc2sc(N)nc12 226312453 JTKWYWYTRIDMOZ-UHFFFAOYSA-N 412.298 4.520 0 40 HJAB COCc1ccc(C(=O)N2CCC(c3cccc(Nc4ncccc4C)n3)CC2)cc1 257224261 FAZVVZBUQIUIRH-UHFFFAOYSA-N 416.525 4.695 0 40 HJAB O=C(NCCc1ccccn1)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 257246678 IVGNKCZUIMNEMM-UHFFFAOYSA-N 418.512 4.586 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)c1 257296998 RFIRTXCWHIJCPG-NRFANRHFSA-N 410.901 4.834 0 40 HJAB Cc1ccc([C@H](CCC(=O)O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 408607370 LIRSQDSZEUTEMX-DEOSSOPVSA-N 416.521 4.512 0 40 HJAB c1cc(Oc2cnccn2)cc(-c2nc(-c3ccc(OC4CCOCC4)cc3)no2)c1 546502847 DPBAOPJJKFEMJO-UHFFFAOYSA-N 416.437 4.544 0 40 HJAB O=c1cc(CN2CC=C(c3ccccc3C(F)(F)F)CC2)c2ccc(O)cc2o1 1653628637 ISCIAJURMORBOB-UHFFFAOYSA-N 401.384 4.807 0 40 HJAB CCOC(=O)C1=C(C)NC(c2ncc(Cl)s2)=N[C@@H]1c1ccc(F)cc1Cl 1857793262 BGQGIRHMLUPLPL-CQSZACIVSA-N 414.289 4.517 0 40 HJAB Cn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nc2ccccc2c1=O 905568 RHBHYCOHWCWLRY-UHFFFAOYSA-N 413.587 4.520 0 40 HJAB Cc1ccc(C(=O)CSc2nnc3c4c5c(sc4ncn23)C[C@@H](C)CC5)cc1 929597 MTSRONFZAIJOKD-ZDUSSCGKSA-N 408.552 4.747 0 40 HJAB C[C@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 989862 NSOJCOQQFNDQKS-GYCJOSAFSA-N 405.881 4.593 0 40 HJAB COc1ccc(OC)c(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)c1 1339904 JZTPEEOSXHWZDN-UHFFFAOYSA-N 408.523 4.780 0 40 HJAB COc1ccc(CNCC[C@H](c2ccc3c(c2)OCO3)c2ccccc2OC)cc1 2101483 LBMRVOOUBNQXAX-OAQYLSRUSA-N 405.494 4.744 0 40 HJAB biogenic COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)cc1 2105438 YCTBWOYOWHIENS-HSZRJFAPSA-N 411.457 4.590 0 40 HJAB biogenic Cc1cc2oc(=O)cc(CSc3nnc(-c4ccncc4)n3C)c2cc1C(C)C 3358505 SJVCKBKMBQMFKL-UHFFFAOYSA-N 406.511 4.708 0 40 HJAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(OCc2ccccc2)cc1 3448507 NSXMQMFKXJXGGX-QHCPKHFHSA-N 404.510 4.816 0 40 HJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 4481609 JMOWYUSPIOYHOR-SCELWYEFSA-N 408.885 4.837 0 40 HJAB CC(=O)Nc1ccc2nc(NC(=O)c3cccc(OCc4ccccc4)c3)oc2c1 4703993 JBLOUWBAEVQVME-UHFFFAOYSA-N 401.422 4.618 0 40 HJAB CCn1c(COc2c(C)cccc2C)nnc1SCCOc1ccccc1OC 4736054 AUGGVLYLGKKPCJ-UHFFFAOYSA-N 413.543 4.674 0 40 HJAB CCCCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@@H]1c1ccc(C)cc1 4816765 ISPUYZJONSSFCV-YADHBBJMSA-N 404.514 4.853 0 40 HJAB COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc(C)cc3)C[C@@H]21 4995463 TXBVCKVXCBCOHE-QFIPXVFZSA-N 405.542 4.748 0 40 HJAB Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)c(C)c1 5092022 GRSVHQCKZAIOBQ-QTJGBDASSA-N 412.489 4.663 0 40 HJAB COc1ccc(OC)c([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)cc2)c1 5256316 GCFCMIIQMKNBFS-OAQYLSRUSA-N 411.889 4.796 0 40 HJAB Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccccc2F)no1 5322181 SSZHUXLAMFLHPV-FQEVSTJZSA-N 404.397 4.595 0 40 HJAB COc1ccc(-c2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)cc1OC 5401429 VYJXZIAFHLXGRL-UHFFFAOYSA-N 414.556 4.923 0 40 HJAB CCC1(CC)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnc(S)n21 5864687 OAKUHPBZDNSOIF-UHFFFAOYSA-N 416.550 4.509 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c(C)c1 6714710 VYHIELSRMDURQK-UHFFFAOYSA-N 417.534 4.991 0 40 HJAB CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(Br)c1 6736944 KCGOAYVEFNEDLT-UHFFFAOYSA-N 400.276 4.550 0 40 HJAB Cc1ccc(C)c(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1 6736992 NDCIDTDCBYGSTE-UHFFFAOYSA-N 413.905 4.823 0 40 HJAB CC(C)n1ncc2c(C(=O)NCCOc3ccc4ccccc4c3)cc(C3CC3)nc21 8313432 JKZATJZLEWYGKX-UHFFFAOYSA-N 414.509 4.852 0 40 HJAB Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccccc3CN3CCCC3)cc12 8388956 NWFIPFNWYSPUDT-UHFFFAOYSA-N 410.587 4.588 0 40 HJAB COc1cccc(C(=O)C[C@@H](c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1 8475342 UAWKMYNPSLTWND-QHCPKHFHSA-N 412.482 4.931 0 40 HJAB CCCc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(C)c4ccccc43)n2)cc1 8728130 DTAXFRNSTFDUPD-GOSISDBHSA-N 405.523 4.851 0 40 HJAB Cc1ccc(CNC(=O)COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)cc1 9048779 RYGZXCUPAYAAIF-UHFFFAOYSA-N 413.473 4.772 0 40 HJAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 9930517 OYFCMYWIDUSUHR-UHFFFAOYSA-N 404.554 4.537 0 40 HJAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)NCc1ccccc1Cl 10273435 NGANQJHWQBNDOY-UHFFFAOYSA-N 417.896 4.514 0 40 HJAB CCCCc1noc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)n1 12777624 SIWDDQAJHZYLNJ-XMMPIXPASA-N 407.514 4.577 0 40 HJAB COc1ccc([C@@H](C)NC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1F 12914025 QZAJIRZDNXIPIC-GFCCVEGCSA-N 402.447 4.541 0 40 HJAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(C(F)(F)F)c1 12935156 VMSUCBISCJPMNL-GOSISDBHSA-N 420.431 4.642 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1Cl 14068065 HIHXHSBTRDXUBL-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB C[C@@H](Oc1ccccc1F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19938361 SEULJEZGONHHKG-HXUWFJFHSA-N 418.512 4.527 0 40 HJAB CC(C)OC(=O)c1ccc2nc(NC(=O)COc3ccc(Cl)cc3)sc2c1 20411847 ZWMDWUXBPIVGFW-UHFFFAOYSA-N 404.875 4.532 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 20460305 USJZGELPVOTWDR-IBGZPJMESA-N 422.550 4.904 0 40 HJAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1ccc(C(=O)Nc2ccc(Cl)cc2)n1 20616998 HJXZYXZFRWCLKV-LBPRGKRZSA-N 403.269 4.642 0 40 HJAB O=C(c1ccc(F)cc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 21959576 OYWOFWAACUNBCR-UHFFFAOYSA-N 410.439 4.651 0 40 HJAB Cc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c(C)c1 22273898 PLNIQFRKGLCUPO-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB Cc1nc2sc([C@@H](c3ccccc3)N3CCC(Cc4ccccc4)CC3)c(O)n2n1 23156784 ZDIXKPQMSXJPMV-OAQYLSRUSA-N 418.566 4.849 0 40 HJAB CCC(CC)C(=O)N1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 32829803 QSXOVILEOVZFER-UHFFFAOYSA-N 412.534 4.582 0 40 HJAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1Br 38752031 RNQULPKGZSFPRN-KRWDZBQOSA-N 412.349 4.523 0 40 HJAB CC[C@H](c1nnc(SCc2ccccc2OC)n1-c1ccc(OC)cc1)N(C)C 39964448 HZEHNDCAWICWBV-LJQANCHMSA-N 412.559 4.590 0 40 HJAB COc1ccc(Cl)cc1NC(=O)NCC1CCN(Cc2cc(C)oc2C)CC1 43973070 BVGLNSUAIGPLAH-UHFFFAOYSA-N 405.926 4.592 0 40 HJAB NC(=O)CSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1 44087640 OYHVBLPPFZWVJZ-UHFFFAOYSA-N 422.735 4.533 0 40 HJAB O=C(CSC[C@@H](O)c1ccccc1)Nc1cccc(CSc2ccccn2)c1 50248258 XGHKJJPEIXJVID-HXUWFJFHSA-N 410.564 4.779 0 40 HJAB COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2nnc(C3CC3)s2)cc1 61719214 MLWIMKFQTWRQSC-UHFFFAOYSA-N 423.523 4.591 0 40 HJAB CCCn1cc(-c2nc(-c3cccc(Br)c3)no2)c(=O)c2ccccc21 64963678 DHTLCGQXUVZUOF-UHFFFAOYSA-N 410.271 4.891 0 40 HJAB CNc1snc(C)c1C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 71872198 NBILMSBBVAIWCV-UHFFFAOYSA-N 423.567 4.680 0 40 HJAB O=c1c(Cl)c(NCc2ccc(F)cc2C(F)(F)F)cnn1Cc1ccccc1 71954292 OJEGOFBAKHLHQG-UHFFFAOYSA-N 411.786 4.715 0 40 HJAB Cc1noc(C)c1CC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 84023106 DTZOEJNIDIUNNA-BETUJISGSA-N 403.910 4.529 0 40 HJAB COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)[C@@H](C)Sc2nncn2C)cc1 95950640 ZLALESKFPGKNPB-QGZVFWFLSA-N 424.570 4.661 0 40 HJAB Cc1ccc(C)c(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2S(C)(=O)=O)c1 96146391 BOWWOPDNTZEWFZ-UHFFFAOYSA-N 423.538 4.854 0 40 HJAB COc1ccc(C2(O)C[C@H]3CC[C@H](C2)N3Cc2ccc(OC(C)C)c(OC)c2)cc1 100765535 GOZPOKXFWDLVIB-NHCUHLMSSA-N 411.542 4.506 0 40 HJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219335009 GQRVFNNFFZEFJE-LJQANCHMSA-N 413.905 4.823 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219612337 JZMNLSPJLZYBMM-MOPGFXCFSA-N 403.906 4.925 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C)cc1 222532302 QSLFXCRYXNJKKM-RDPSFJRHSA-N 424.585 4.658 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 223258448 QRZKWEJXDPKIOP-QHCPKHFHSA-N 424.585 4.658 0 40 HJAB CC(C)CSc1nnc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)s1 223870673 UWQKAOKBNFDMGS-UHFFFAOYSA-N 412.389 4.535 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1)c1ccccc1 223942162 MBWOOPNLWCTMPW-OAQYLSRUSA-N 408.523 4.677 0 40 HJAB CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 224024610 ZKMXGVJFMCSLIP-LJQANCHMSA-N 408.608 4.506 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2cc(C)ccc2C)c1 224114355 QPWILHPFZIYIGP-MIDMBNTASA-N 402.494 4.853 0 40 HJAB CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1COc1ccccc1C(C)C 224570512 HGAXFIRIEFCSCA-UHFFFAOYSA-N 410.558 4.565 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC(C)(C)CC(C)(C)C)cc1 225110559 RCPAZZRVIPGPSC-RGEXLXHISA-N 414.571 4.859 0 40 HJAB Cc1nccn1Cc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 225301166 OXCMCRGRARWYCH-UHFFFAOYSA-N 421.551 4.636 0 40 HJAB O=C(NCCSCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225576256 PVRBBWMMQOQTPH-UHFFFAOYSA-N 420.981 4.741 0 40 HJAB Nc1nc2c(Cl)cc(NC(=O)COc3ccc(Cl)cc3Cl)cc2s1 226312106 GUDVUDOODUYOEI-UHFFFAOYSA-N 402.690 4.856 0 40 HJAB Cc1cccc(CC(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3cc(C)no3)CC2)c1 257334836 YHNVOBYLRZPQPY-XUTJKUGGSA-N 418.541 4.690 0 40 HJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC(=S)N1 408604072 DFMFHAWFKMQGFF-QGZVFWFLSA-N 424.444 4.710 0 40 HJAB C[C@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccnc(O)c1 502424488 IXTONXJIYMNOTP-HNNXBMFYSA-N 403.457 4.885 0 40 HJAB COc1ccc(Br)c(C(=O)NC[C@@H](c2ccco2)c2cccs2)c1 585146762 MVYVKBGCLWUNLY-AWEZNQCLSA-N 406.301 4.674 0 40 HJAB CCOc1ccc(CN2CCC(Cc3cccc(Nc4ncc(C)s4)n3)CC2)cn1 585263263 SYHFDPWURRZHKL-UHFFFAOYSA-N 423.586 4.839 0 40 HJAB Nc1cc(I)ccc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250434 LWKKEHYIYSOCTJ-UHFFFAOYSA-N 415.099 4.963 0 40 HJAB O=C(O)c1ccc2c(c1)OCCN2C(=O)OCC1c2ccccc2-c2ccccc21 1554770948 SKWDYZNWVDHHNI-UHFFFAOYSA-N 401.418 4.533 0 40 HJAB CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1 901824 XSVXTLBBRKODGE-UHFFFAOYSA-N 421.400 4.689 0 40 HJAB CC(C)CCNC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 2245293 VXHOGCSLGGVHPN-UHFFFAOYSA-N 421.932 4.644 0 40 HJAB Cc1nn([C@H](C)c2nnc(Nc3ccn(Cc4ccccc4)n3)s2)c(C)c1Cl 2731550 CVRQBCNTYKEJGQ-CQSZACIVSA-N 413.938 4.603 0 40 HJAB CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1 3359255 WSGYVSIBSVBFRD-UHFFFAOYSA-N 404.514 4.555 0 40 HJAB COc1ccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2ccccc2)cc1OC 3489392 MHTJVTKKNSEWEU-GOSISDBHSA-N 411.527 4.613 0 40 HJAB CC1=C(C(=O)O[C@H]2CCC[C@@H]2C)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 4066605 FAWXECJFJVYKRS-ITSWEJNFSA-N 420.509 4.625 0 40 HJAB O=C1Nc2ccc(Cl)cc2[C@@]12Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 5010023 MQKRRQAAPHNTSO-LAUBAEHRSA-N 407.882 4.750 0 40 HJAB CC(C)C(=O)N1CCCc2ccc(NC(=O)COc3ccc4ccccc4c3)cc21 5136323 GYIQZKSXXFRNSJ-UHFFFAOYSA-N 402.494 4.793 0 40 HJAB CCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OC 5157424 RCUPFKVWIWDNDX-PUESRJFGSA-N 420.553 4.901 0 40 HJAB COc1cccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1OC 5169333 YLSQGEGFZOTWEP-UHFFFAOYSA-N 406.463 4.938 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)c4ccc(F)c(F)c4)c(=O)c23)s1 5291285 RZGJPUQTSBNCPA-UHFFFAOYSA-N 402.447 4.656 0 40 HJAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(NC(=O)C(C)C)c1 5842258 LTRNEQWIEYWYCQ-UHFFFAOYSA-N 421.522 4.570 0 40 HJAB CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cc1 5949837 DHDOBKWFQSNYMT-HNNXBMFYSA-N 413.543 4.585 0 40 HJAB c1ccc(CN2[C@@H](n3nnc4ccccc43)CCC[C@@H]2n2nnc3ccccc32)cc1 6475077 LPYAYUKCSXCEBZ-ZEQRLZLVSA-N 409.497 4.560 0 40 HJAB Cc1ccc(C(=O)N[C@H](C(=O)OCc2csc(-c3ccccc3)n2)C(C)C)cc1 6779381 KLZKJSRTBMSBQZ-FQEVSTJZSA-N 408.523 4.616 0 40 HJAB CC(C)n1c(SCc2nc(-c3ccccc3Cl)no2)nc2ccccc2c1=O 7114328 MYJBLEJKXDDUKP-UHFFFAOYSA-N 412.902 4.973 0 40 HJAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N(C)Cc1ccccc1 7160780 OOTQUUXVROAKHF-CYBMUJFWSA-N 405.445 4.788 0 40 HJAB CCCCCC(=O)Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 7496969 HOXWPQBBIXIPTR-LFIBNONCSA-N 405.542 4.567 0 40 HJAB CC(C)c1ccc([C@@]2(C)NC(=O)N(Cc3csc(-c4ccccc4)n3)C2=O)cc1 7777913 XJQRESOUYOYKFO-HSZRJFAPSA-N 405.523 4.901 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 8168697 LURBMSMPXWJDSC-UHFFFAOYSA-N 410.857 4.862 0 40 HJAB Nc1c(Br)cc(NC(=O)c2ccccc2Cl)cc1Br 8702098 TZQKDCRZLLYWRR-UHFFFAOYSA-N 404.489 4.700 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)N3CCC(c4ccccc4)=N3)s2)c(C)c1 8720308 FOEZAPURUWEACK-UHFFFAOYSA-N 423.567 4.627 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2Cc2ccco2)c1 9478390 VACGMVRBJMPUPP-UHFFFAOYSA-N 422.485 4.765 0 40 HJAB CCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1Cc1ccccc1 12321883 FJWGTMBMCYRAJL-UHFFFAOYSA-N 410.539 4.643 0 40 HJAB COc1ccccc1CNC(=O)Cc1cnc(-c2c(Cl)cccc2Cl)s1 12409412 RQGWHSUBRHOBKM-UHFFFAOYSA-N 407.322 4.984 0 40 HJAB Cc1ccc2nc(CSc3nnc(-c4ccc(F)cc4)n3C[C@H]3CCCO3)cn2c1 12575597 WQAQXIDKLPENMS-LJQANCHMSA-N 423.517 4.512 0 40 HJAB COc1ccc(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)c(OC)c1OC 12597309 IEXCJAZYKJTGMO-UHFFFAOYSA-N 418.921 4.537 0 40 HJAB O=C(Nc1nc(CN2CCCCCC2)cs1)c1ccc(Br)cc1F 13012060 SCANQXKNHDTNRK-UHFFFAOYSA-N 412.328 4.673 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)c1nc2c3ccccc3[nH]c(=S)n2n1 13497270 PBUIEOUONMVIBU-SNVBAGLBSA-N 401.289 4.843 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nc2cc3c(cc2cc1CC)OCCO3 13503624 YHHIAEDDIKLDSM-UHFFFAOYSA-N 424.522 4.698 0 40 HJAB COc1ccc(-c2ncc(CN[C@@H](Cc3ccsc3)c3ncccc3C)cn2)cc1 19237662 VJRQWYFJLWVRCE-QFIPXVFZSA-N 416.550 4.991 0 40 HJAB CC(C)c1nc([C@@H](Cc2c[nH]c3ccccc23)NCc2ccccc2F)cc(=O)[nH]1 19453490 HCQBZRRNUAVOSW-OAQYLSRUSA-N 404.489 4.587 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 21344941 AZQGIXSTAPMTRZ-UHFFFAOYSA-N 408.885 4.573 0 40 HJAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc2ccccc2o1 21595623 FTGKEVGYDZHSNX-UHFFFAOYSA-N 419.462 4.713 0 40 HJAB CCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 22110508 QKLUVFLMCVIMKD-UHFFFAOYSA-N 422.913 4.627 0 40 HJAB CCCN(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22256880 SFTLJYJZJATWQU-UHFFFAOYSA-N 413.543 4.769 0 40 HJAB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccccc1 22513640 DGXXIJSVPQINDF-JOCHJYFZSA-N 422.550 4.985 0 40 HJAB Cc1ccc([C@@H](CNC(=O)COc2cccc(Cl)c2)N2CCCCCC2)cc1 27584112 YZJJWJQOXDBQMZ-JOCHJYFZSA-N 400.950 4.761 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)c1ccn(COc2cccc(Cl)c2Cl)n1 27972591 PEWPZQJLUUIOHP-ZDUSSCGKSA-N 402.281 4.818 0 40 HJAB Cc1cccc(OCc2ccc(C(=O)Nc3cnn(Cc4ccccc4F)c3)o2)c1 28230167 WTZSNGOBDGJVQS-UHFFFAOYSA-N 405.429 4.803 0 40 HJAB CC(C)n1ncc2c(C(=O)N3CCn4cccc4[C@H]3C)cc(-c3cccs3)nc21 30262162 ODSILPFCPQHQRK-OAHLLOKOSA-N 405.527 4.759 0 40 HJAB CCCCN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccc(C)c(C)c4)on3)cc21 32593481 TXRBMOKUDNYFAV-UHFFFAOYSA-N 419.481 4.736 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3C)ccc2C)cc1 33915125 SMAILEIQPQHGCW-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 36104812 JXOOTDTXDUCOPV-GDZNZVCISA-N 404.967 4.780 0 40 HJAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 36392882 NWRXNMYTDILGMJ-KRWDZBQOSA-N 413.949 4.869 0 40 HJAB Cc1ccc(-c2csc3c(=O)n(CC(=O)Nc4cccc(Cl)c4)cnc23)cc1 38651683 VJJYNKUPIKTMRA-UHFFFAOYSA-N 409.898 4.726 0 40 HJAB O=C(C[C@H]1C(=O)N(C2CCCCCC2)c2nc3ccccc3n21)Nc1ccccc1F 39964081 VAJJZKQHDWGRQQ-NRFANRHFSA-N 420.488 4.815 0 40 HJAB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2ccc3[nH]c(C)cc3c2)c1 46367099 CNBPQKQDMMVYMD-UHFFFAOYSA-N 405.527 4.713 0 40 HJAB CC(C)CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2ccccc2c1=O 57472572 KGGCYAQXHYIRTJ-UHFFFAOYSA-N 421.566 4.662 0 40 HJAB Cc1cccc(N(C)C(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)c1 57487247 WDDKABGQWORLPB-UHFFFAOYSA-N 406.873 4.830 0 40 HJAB Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cc(C)nc4onc(C)c34)cn2)c1 58393410 VDYZBRVQXKPQDJ-UHFFFAOYSA-N 402.454 4.574 0 40 HJAB CCc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)cc1 64872030 UTCUOVBIIYKRMP-UHFFFAOYSA-N 418.515 4.527 0 40 HJAB CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)cc1OC 72272621 JZWKZJYWASEOMH-UHFFFAOYSA-N 423.469 4.675 0 40 HJAB COc1ccc2c(ccn2CCC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 72324692 QLNCHFCYRCTZMF-UHFFFAOYSA-N 407.901 4.760 0 40 HJAB biogenic COc1ccccc1-c1nccnc1[C@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1 72359182 RUFFKLCPVWFAKM-IBGZPJMESA-N 419.500 4.630 0 40 HJAB Cc1cn2c(CN(C)C(=O)c3sc(-c4cccs4)nc3C)c(C)nc2s1 89702079 GWNPITXJCKGAJJ-UHFFFAOYSA-N 402.570 4.778 0 40 HJAB COc1ccc2cc([C@@H]3CC(c4ccccc4OC)=NN3C(C)=O)c(Cl)nc2c1 89930432 PCVAWOKBWLRKGE-FQEVSTJZSA-N 409.873 4.603 0 40 HJAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@H](c2ccc(OC(F)(F)F)cc2)S1 95477405 WOMILLNTNHDEJJ-HNNXBMFYSA-N 413.421 4.725 0 40 HJAB Cc1ccc2c(-c3cc4c(CN5CCSCC5)cnc(C)c4o3)cc(=O)oc2c1 95478942 BIAQQTUHHIKDFX-UHFFFAOYSA-N 406.507 4.767 0 40 HJAB Cc1noc(Cc2ccccc2NC(=O)c2c(-c3ccccc3Cl)noc2C)n1 96097054 CJSMASJREXYUGR-UHFFFAOYSA-N 408.845 4.838 0 40 HJAB COc1cc2nc(SCc3ccccc3C)n(Cc3ccco3)c(=N)c2cc1OC 100330807 OILOQBWGTYUICQ-UHFFFAOYSA-N 421.522 4.775 0 40 HJAB O=C(O)[C@H]1C[C@@H]2C[C@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104254934 NYMAXICBMAYDRR-DBEALHFNSA-N 410.939 4.805 0 40 HJAB O=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1ccc(-c2cccs2)cc1 206773802 OVHXXLROKYGSTA-GOSISDBHSA-N 403.507 4.955 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219321597 JGTJYEHJRUOARF-MSOLQXFVSA-N 403.906 4.925 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCSc1ccc(Cl)cc1 222938947 MEPYCZJKIHESHY-OAHLLOKOSA-N 422.953 4.515 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 222982994 BIOWIDHXWLHJPV-LEWJYISDSA-N 421.522 4.812 0 40 HJAB COC(=O)c1ccc(NC2CCCCCC2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223410018 TYBKVEYBGLWDTM-UHFFFAOYSA-N 416.543 4.717 0 40 HJAB Cc1cccc(C)c1N(CC(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O 223690777 VONPSPZBSYBETO-UHFFFAOYSA-N 422.506 4.608 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccccc1 223962322 CIKWXFPILHABHS-HXUWFJFHSA-N 412.486 4.508 0 40 HJAB CC(C)c1ccc(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 224095158 NVKYYXDDOCXZKP-UHFFFAOYSA-N 422.550 4.883 0 40 HJAB CCc1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 224337394 LGMWCGAGAYRRDM-UHFFFAOYSA-N 400.522 4.621 0 40 HJAB Fc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCC1 225022731 AKHQRQQBYFPYTK-FCHUYYIVSA-N 406.530 4.927 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1C 225041166 IHFWBWDPSSIJCG-GOTSBHOMSA-N 419.598 4.512 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 225476918 RSDVZDJZCZDPLF-UWJYYQICSA-N 400.950 4.605 0 40 HJAB CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 257279458 OGTKNKVFMQYXSH-GBXCKJPGSA-N 418.581 4.686 0 40 HJAB Cc1cccc(Nc2cncc(C3CCN(Cc4cn(C)c5ccccc45)CC3)n2)n1 257322478 WGDGPXYEHKQGJM-UHFFFAOYSA-N 412.541 4.795 0 40 HJAB COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(F)cc2)n1 408697561 HVHMAAQMWYXJJL-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O 409158269 QYZMIZQUDNMRGB-MHWRWJLKSA-N 400.887 4.632 0 40 HJAB Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)c1c(F)cccc1F 585151794 KYPXERXEVLTMBF-UHFFFAOYSA-N 417.462 4.746 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)n2)cc1C 1521210193 RLXQCXNZGSFHBS-HSZRJFAPSA-N 406.507 4.846 0 40 HJAB O=C1NCCc2ccccc2[C@@H](c2ccccc2)N1C1CCN(Cc2ccco2)CC1 1615530632 ZSEATMBJVDTAOW-RUZDIDTESA-N 415.537 4.601 0 40 HJAB O=C(Nc1cccnc1Cl)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 673937 GTTFBRYMKQDKAA-GJZGRUSLSA-N 421.810 4.844 0 40 HJAB CCn1c(SCC(=O)Nc2ccccc2Br)nnc1C1CCCCC1 900798 RLXPVHHXSWFQLK-UHFFFAOYSA-N 423.380 4.839 0 40 HJAB CCOc1ccc(N[C@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)cc1 975861 UGNCTHLLKIPOAM-QGZVFWFLSA-N 401.721 4.932 0 40 HJAB CCOc1ccc([C@H](OC(=O)c2cccs2)C(=O)NCc2ccc(C)cc2)cc1 1328603 VCVIIVJRWJSVHL-NRFANRHFSA-N 409.507 4.670 0 40 HJAB Cc1ccc(NC(=O)Nc2cccn(Cc3ccccc3Br)c2=O)cc1 1354126 JOSUMOAUAOKJBA-UHFFFAOYSA-N 412.287 4.612 0 40 HJAB CCCCc1cc2c(=O)c(-c3csc(C)n3)coc2cc1O[C@@H](C)C(=O)OCC 1748647 DYIGQCVPUYUKQV-ZDUSSCGKSA-N 415.511 4.898 0 40 HJAB biogenic CCN(CC)CCOc1ccc([C@@](O)(Cc2ccc(OC)cc2)c2ccccc2)cc1 2041305 KDYQVUUCWUPJGE-HHHXNRCGSA-N 419.565 4.894 0 40 HJAB biogenic,in-vitro CCCCCSc1nnc2c(n1)O[C@H](c1cccn1C)N(C(C)=O)c1ccccc1-2 2104003 DCFLNZQOTRZYAX-OAQYLSRUSA-N 423.542 4.604 0 40 HJAB O=c1c2c3c(sc2n(Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1)CCCC3 2233546 XYKCIQPGKOTVGB-UHFFFAOYSA-N 422.937 4.794 0 40 HJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccc(Br)cc1 2377915 YIMZYNMZPZDKKR-UHFFFAOYSA-N 424.294 4.916 0 40 HJAB CCCOC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 2417887 AROHFFAQLRJADG-UHFFFAOYSA-N 414.387 4.742 0 40 HJAB COC(=O)c1ccn(Cn2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)n1 2733396 OSPVFCGQFADEMK-UHFFFAOYSA-N 400.482 4.631 0 40 HJAB Cc1ccccc1CSc1nc2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2 2909045 JDBXXIUGSDTXBU-UHFFFAOYSA-N 422.531 4.836 0 40 HJAB CCCOc1ccc(C(=O)Nc2nc(C)c(Cc3ccc4c(c3)OCO4)s2)cc1 3330860 ZOXBBMWSKBRHCT-UHFFFAOYSA-N 410.495 4.812 0 40 HJAB CCc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2)s1 4036356 LRKWGDIPEMFQQD-UHFFFAOYSA-N 401.538 4.783 0 40 HJAB COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)cc1 4070916 UJNILVYYMGPEKJ-HSZRJFAPSA-N 406.507 4.544 0 40 HJAB O=C(CSc1nnc2scc(-c3ccccc3)n12)N1CCCc2ccccc21 4388934 DCGLDORHLUWOES-UHFFFAOYSA-N 406.536 4.529 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 4846759 GAASDYLUJKPSBR-INIZCTEOSA-N 405.425 4.665 0 40 HJAB O=C(NC1CCCC1)[C@H](c1ccncc1)N(C(=O)Cc1cccs1)c1ccccc1 4847976 MEXHEPBBKXQOKS-QHCPKHFHSA-N 419.550 4.519 0 40 HJAB COc1ccc(C(=O)c2cn(Cc3ccc(F)cc3)c3ccc(F)cc3c2=O)cc1 4937083 GORGFJHTDFVKBL-UHFFFAOYSA-N 405.400 4.568 0 40 HJAB COc1ccc(C(OC[C@H](O)CN[C@H](C)c2ccccc2)c2ccc(OC)cc2)cc1 5951011 GIIGIGNNZPCHTH-AUSIDOKSSA-N 421.537 4.522 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccccc1Cl 6056791 ZTARXHLSNIDMKR-JTQLQIEISA-N 402.661 4.596 0 40 HJAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 6549638 SLZXLQDGDDHGFT-UHFFFAOYSA-N 401.462 4.638 0 40 HJAB COC(=O)c1ccc(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)cc1 7006758 UTNUOELPMVFKIE-UHFFFAOYSA-N 408.266 4.551 0 40 HJAB COc1ccc(CN(Cn2nc(-c3ccccc3Cl)n(C)c2=S)C2CC2)cc1 8148456 HTSGDTLOWRXOCB-UHFFFAOYSA-N 414.962 4.902 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)sc2c1CCCC2 8496889 RCDIUEAEHJUZCI-OAHLLOKOSA-N 401.528 4.826 0 40 HJAB O=c1/c(=C\c2ccccc2OCc2ccc(Cl)cc2)sc2nc3ccccc3n12 9057741 BZKBJTLRJROHLM-FYJGNVAPSA-N 418.905 4.689 0 40 HJAB COc1ccc(C)cc1NC(=O)Cc1csc(NC(=O)Nc2ccc(C)cc2)n1 9625438 HDSLSUOGUSDHNR-UHFFFAOYSA-N 410.499 4.594 0 40 HJAB CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)CC1=O 10461925 XYPBQTNVBVJAOS-LJQANCHMSA-N 421.541 4.649 0 40 HJAB CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)c1ccc(Br)cc1 12728698 KNJZUCZTQQXLMY-UHFFFAOYSA-N 408.295 4.952 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](C)c1ccccc1Br 13068803 QPQAFGOVRNMEEW-LBPRGKRZSA-N 411.727 4.709 0 40 HJAB COc1cc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc(Cl)c1OC(C)C 13112545 AFDCSXVLDBIRRA-UHFFFAOYSA-N 412.313 4.940 0 40 HJAB COc1ccc(OC)c(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 14649535 DTYKPKWNNFSJJN-UHFFFAOYSA-N 422.319 4.781 0 40 HJAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 16047936 JNPNOGIMBPHFJS-UHFFFAOYSA-N 420.490 4.606 0 40 HJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1 17090459 GAOPFNJIVKVPQA-QGZVFWFLSA-N 415.965 4.623 0 40 HJAB Cc1cccc2c(-c3ccncc3)c([C@@H]3CCCN(C(=O)[C@@H](C)N4CCCC4)C3)[nH]c12 19236511 YFAWISKYCNSWKX-TZIWHRDSSA-N 416.569 4.729 0 40 HJAB COc1ccc(Cc2nnc(NC(=O)c3csc(C(C)C)c3)s2)cc1OC 19452229 LIGXDWNNLPLQPS-UHFFFAOYSA-N 403.529 4.583 0 40 HJAB COc1ccc2[nH]c(C)c(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)c2c1 19717744 VVPUNYLFCDCDTP-HXUWFJFHSA-N 406.482 4.624 0 40 HJAB COc1ccc(CN2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCCC5)cc1 20394880 VBVZJCLQIUEYGQ-UHFFFAOYSA-N 411.885 4.686 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1Cl 20610350 SIZPPZSDNZHLST-UHFFFAOYSA-N 410.836 4.864 0 40 HJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)OCc1nc(-c2ccsc2)no1 21791158 JGWABVHGONHJLG-UHFFFAOYSA-N 415.858 4.783 0 40 HJAB Cc1c(-c2ccccc2)sc(NC(=O)C2CCOCC2)c1C(=O)N1CCCCC1 23272044 NVDOOQREFXSPMF-UHFFFAOYSA-N 412.555 4.715 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2cccc(OC)c2)c2c[nH]c3ccccc23)cc1 23573165 AJVSQVXQCTVFFY-JOCHJYFZSA-N 400.478 4.747 0 40 HJAB biogenic O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(-n2ccnc2)cc1 24050325 JQCNGGJFJSJMPQ-UHFFFAOYSA-N 419.488 4.655 0 40 HJAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2coc(-c3ccc(C)cc3C)n2)C1=O 24764063 ZJMVDGUHUPZDKB-QHCPKHFHSA-N 423.900 4.969 0 40 HJAB CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCCC1 27793811 DPAJZFOUGYEPLZ-QHCPKHFHSA-N 410.558 4.831 0 40 HJAB biogenic Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(C)C)c2ccccc2)cc1 28942893 JOUQYSLAUDBWLV-UHFFFAOYSA-N 422.550 4.952 0 40 HJAB O=C(c1ccc(Br)o1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 32480086 NXYJKNQRWQMTTQ-UHFFFAOYSA-N 420.284 4.722 0 40 HJAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1cc(F)cc(F)c1 32578948 MSTFNYZIIRCCJV-UHFFFAOYSA-N 407.376 4.699 0 40 HJAB O=C(/C=C/c1ccc2ccccc2n1)NC[C@@H](c1ccccc1Cl)N1CCCC1 33028442 SDDGUPVQIYRJKY-ZVQQDINOSA-N 405.929 4.855 0 40 HJAB CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2c(C)noc2C)cc1 35671694 UPDNVBKGLBRWRZ-UHFFFAOYSA-N 404.422 4.920 0 40 HJAB COc1ccc(CC(=O)Nc2ccccc2N2CCc3ccccc32)c(OC)c1OC 36755185 AVJBWSGAKWTRQE-UHFFFAOYSA-N 418.493 4.588 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)N[C@@H](C)Cc2ccc(Cl)cc2)no1 40112176 BDABQYDPPXGCAO-ZDUSSCGKSA-N 401.919 4.685 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H](C)SCc1ccccc1 40140767 YETIXZVSYPFHQD-OAHLLOKOSA-N 424.488 4.814 0 40 HJAB CCC(CC)C(=O)N(Cc1ccccc1)Cc1nc(N(C)C)ncc1-c1ccccn1 57774277 WAMAODQVJCGZHO-UHFFFAOYSA-N 417.557 4.570 0 40 HJAB O=c1cc(CNc2ccccc2N2CCCCCC2)nc2sc3c(n12)CCCC3 57903527 ODAWQZSEGBWNEX-UHFFFAOYSA-N 408.571 4.627 0 40 HJAB CCOc1ccc(-c2nc(C[S@@](=O)Cc3ccccc3F)cs2)cc1OC 58158020 MKJSFGWMUBDYQV-HHHXNRCGSA-N 405.516 4.805 0 40 HJAB O=C(Nc1ccnn1Cc1cccc(Br)c1)c1cc(Cl)ccc1F 58161402 FKYXWNHSVGIVGO-UHFFFAOYSA-N 408.658 4.739 0 40 HJAB CCOc1ccc(-c2noc(-c3nn(-c4ccc(C)cc4)c(=O)c4ccccc34)n2)cc1 64949599 AMAOLAYSRXQJNF-UHFFFAOYSA-N 424.460 4.810 0 40 HJAB COc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1N1CCCCC1=O 71847999 WWEJGQRQHJQAQP-UHFFFAOYSA-N 415.493 4.835 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72358203 KRRDIHQZCWZKEI-HSZRJFAPSA-N 408.448 4.693 0 40 HJAB COc1cc(/C=C2/SC(=O)NC2=O)ccc1OCCSCc1ccc(C)cc1 96191236 WCYDESZQWKVJNG-XDHOZWIPSA-N 415.536 4.640 0 40 HJAB CC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 102532017 SUIVOGSVPYPPIN-KLDKWKSESA-N 415.489 4.515 0 40 HJAB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(Cc2ccccc2Cl)C1=O 214086254 NIGALVNBDUPSPP-GIJQJNRQSA-N 419.886 4.602 0 40 HJAB CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc(C)cc1 223050299 JCHRBMXBSPUXLK-RUZDIDTESA-N 414.549 4.661 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)NC(C)(C)C)cc1 223258499 QRZKWEJXDPKIOP-HSZRJFAPSA-N 424.585 4.658 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223918504 RVKMVZCHVLULAM-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1 224019140 KXULRYDDJKUNKN-DEOSSOPVSA-N 424.585 4.578 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1c2ccccc2C[C@@H]1C 224320293 GQDSERQXEGCKSF-DFBJGRDBSA-N 406.570 4.680 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 224477135 LDGDPFALQVGWED-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1C 225173362 VYDZOQXVWNHDGJ-YADHBBJMSA-N 419.554 4.552 0 40 HJAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225500399 UAPIGKTZYGPPDW-OAQYLSRUSA-N 411.571 4.896 0 40 HJAB NC(=O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 225556077 IHCKWYHDMHKLOU-UHFFFAOYSA-N 421.324 4.698 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 225613681 IDAWRZHVKMGOAC-XMSQKQJNSA-N 414.977 4.913 0 40 HJAB Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)s1 257272431 NCJKAWHLJFXMJD-SFHVURJKSA-N 415.946 4.898 0 40 HJAB Cc1nc(N)sc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257291791 QIPVLVPICLHYCZ-INIZCTEOSA-N 416.934 4.633 0 40 HJAB COc1cc(C)c(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC 408549152 PYSXNXQSVLMLBK-ZDLGFXPLSA-N 403.887 4.902 0 40 HJAB CCOc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3OC)NC2=O)ccc1OC 408804929 HJEBSHAVRMZHIO-UHFFFAOYSA-N 419.910 4.519 0 40 HJAB CCOC(=O)C1=CNc2c(-c3cccc(Br)c3)cnn2[C@H]1c1ccccc1 409026142 HJMJALDGLCKKMV-IBGZPJMESA-N 424.298 4.775 0 40 HJAB Cc1cccc(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1 409133001 YYGVCYNVYQFXQQ-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB CC(=O)N1CC2=C(C1=O)[C@H](c1ccsc1)c1cn(CC(C)C)c3cccc(c13)N2 524732119 YFCDUVDBVUOLNB-HXUWFJFHSA-N 405.523 4.559 0 40 HJAB biogenic CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(Cc2ccncc2)CC1 585166481 FJUALROBHYUXGJ-UHFFFAOYSA-N 413.565 4.662 0 40 HJAB Cc1ncsc1CN1CCC2(CC1)C[C@H](Cc1ccccc1)N(CC(C)C)C2=O 1615155939 KVLDNGWUSVDLRW-NRFANRHFSA-N 411.615 4.533 0 40 HJAB Oc1cccc(CN[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c1Cl 1662536458 MNKHQJVDYIFRQX-XMSQKQJNSA-N 413.876 4.726 0 40 HJAB COc1ccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)sc(=O)c2c1OC 646661 MMXILUNRUVYBEY-UHFFFAOYSA-N 409.385 4.550 0 40 HJAB CCOC(=O)C1=C(C)N(Cc2ccccc2)C(C)=C(C(=O)OCC)C1c1ccccc1 677374 KTGJLENRJUPZRD-UHFFFAOYSA-N 419.521 4.960 0 40 HJAB CCn1c(S[C@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccc(O)cc1 886720 YPVQKIILPHAVRG-OAHLLOKOSA-N 418.522 4.943 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2nnc3c(C)cc4ccc(C)c(C)c4n23)cc1 903122 CWPSOYHOYIOOLW-UHFFFAOYSA-N 418.522 4.741 0 40 HJAB C[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2cccc3ccccc23)C1=O 2642525 PATWZIBGOZUAEW-OAQYLSRUSA-N 409.283 4.570 0 40 HJAB CSc1nnc(C)n1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1 2794462 NXRUUMUBAQMNBC-UHFFFAOYSA-N 423.325 4.578 0 40 HJAB Cn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nc2sccc2c1=O 3325858 BBYIFTDUWBIVNW-UHFFFAOYSA-N 423.519 4.518 0 40 HJAB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(F)c1F 3391032 FMRLWRSFSINIMF-IBGZPJMESA-N 406.448 4.795 0 40 HJAB COc1ccc(-n2cnnc2SCC(=O)Nc2ccccc2-c2ccccc2)cc1 3428800 IRHAHDHITQMQBZ-UHFFFAOYSA-N 416.506 4.674 0 40 HJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2Cl)N2C(=O)CCSC2=N1 3640213 YBLGQGDGLYHSJZ-MRXNPFEDSA-N 413.326 4.595 0 40 HJAB C/C(=C/c1ccccc1)[C@H]1NC(=O)c2c(sc3c2CCN(Cc2ccccc2)C3)N1 4544039 ZBSFCAUVBMSGLK-OKRNDORHSA-N 415.562 4.891 0 40 HJAB Cc1ccc(-c2nc(CCNC(=O)c3cccc(Br)c3)cs2)cc1 4570746 AXXWTZDEZSRNGN-UHFFFAOYSA-N 401.329 4.854 0 40 HJAB COc1ccc(NC(=O)c2sc3nc4cc(C)cc(C)c4cc3c2N)cc1OC 4848765 RSYPCIJYXJXPCZ-UHFFFAOYSA-N 407.495 4.918 0 40 HJAB O=c1nc(SCc2ccc(Cl)cc2Cl)c2c(n1Cc1ccco1)CCC2 4940131 UGGUPBQFBPJZOA-UHFFFAOYSA-N 407.322 4.972 0 40 HJAB COc1ccc(CCNC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1 4955643 PSQPXWNOGFNERS-UHFFFAOYSA-N 409.536 4.588 0 40 HJAB O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1ccco1 5043471 DUECHWJYIPGGBD-UHFFFAOYSA-N 411.405 4.537 0 40 HJAB Cc1ccc(C)c(NC(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)c1 5351982 PYYIPRONYIPUGL-UHFFFAOYSA-N 409.536 4.750 0 40 HJAB CCc1cccc(C)c1NC(=O)COc1ccccc1C(=O)NCc1ccccc1 5437768 OKADCACDEWRNRW-UHFFFAOYSA-N 402.494 4.505 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 5500058 XLRKSXMUJQTLEH-UHFFFAOYSA-N 409.902 4.508 0 40 HJAB O=C1NC2(CCCCC2)N(C(=O)Cc2c(Cl)cccc2Cl)C2=C1CCCC2 6082945 SYDFJROJITYLTA-UHFFFAOYSA-N 407.341 4.983 0 40 HJAB Cc1cccc(CSC2=NCCN2C(=O)COc2ccc(Cl)cc2Cl)c1 7346268 BOSHVFPAWQXMBR-UHFFFAOYSA-N 409.338 4.812 0 40 HJAB CCOC(=O)c1oc2ccc(Br)cc2c1C[n+]1ccc2ccccc2c1 7714576 NZPNWDNQWGDLHK-UHFFFAOYSA-N 411.275 4.861 0 40 HJAB Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccnn2Cc2cccnc2)c1 7781596 KGKHNKMPDXXGFI-UHFFFAOYSA-N 415.522 4.742 0 40 HJAB C[C@H]1c2ccsc2CCN1C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 7829605 FFTLDTBTUYGZSG-INIZCTEOSA-N 400.507 4.755 0 40 HJAB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1 8033478 VRQUSOPFMYIDSH-QFIPXVFZSA-N 408.523 4.677 0 40 HJAB O=C(CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)N1CCCCCC1 9190731 IBRYKHWVIQOLEZ-XMMPIXPASA-N 401.510 4.506 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)N[C@@H](C)c3cc4ccccc4o3)o2)c1 13117928 QTCZZRKTCPUDMV-HNNXBMFYSA-N 423.494 4.673 0 40 HJAB Brc1cncc(-c2nnc3sc(-c4cccc5ccccc45)nn23)c1 13685901 PGANWPFFZQIHPS-UHFFFAOYSA-N 408.284 4.831 0 40 HJAB Cc1nc(SCC(=O)N(c2ccccc2)C2CCCCC2)c(C(N)=O)c(C)c1C 14200723 SNFSZMIKDMVMHI-UHFFFAOYSA-N 411.571 4.564 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1C 15225573 QXOAATUGCLTYOR-UHFFFAOYSA-N 415.518 4.733 0 40 HJAB COc1ccccc1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl 16228390 OYILRWISXMCEOW-HXUWFJFHSA-N 419.868 4.918 0 40 HJAB CCOc1cc2c(cc1CN[C@H](Cc1ccsc1)c1nc(C)cs1)OCO2 19532539 NBGRYWZBGKONFC-MRXNPFEDSA-N 402.541 4.714 0 40 HJAB COc1ccc([C@@H]2CCCN2Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)cc1 19534534 PHTXOQLVYPXDRM-FQEVSTJZSA-N 417.534 4.997 0 40 HJAB Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)noc2n1 19568696 UOKJAVQNGPPNKS-AWEZNQCLSA-N 421.394 4.638 0 40 HJAB COc1ccc(Nc2ncccc2C(=O)Nc2nc(-c3ccccn3)cs2)cc1 19660319 SRVXIEBAQLCTHQ-UHFFFAOYSA-N 403.467 4.605 0 40 HJAB CCCCNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20029342 SOTLYGPEXYBOOA-UHFFFAOYSA-N 411.575 4.903 0 40 HJAB COc1ccc(C(=O)O)cc1NC(=O)c1cccc2c(Br)cccc12 20139040 VCDKGSKSGMILIM-UHFFFAOYSA-N 400.228 4.561 0 40 HJAB CCOc1ccc(-c2cc(NC(=O)c3noc4c3C[C@@H](C)CC4)on2)cc1OCC 20177424 DGAMGJCSENWYLO-ZDUSSCGKSA-N 411.458 4.504 0 40 HJAB CCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccc(CC)cc2)n2c1nc1ccccc12 20638328 AOPMPPGJEYOLEU-FGZHOGPDSA-N 419.525 4.514 0 40 HJAB O=C1C[C@@H](c2ccccc2O)Cc2nc(N3CCC(Cc4ccccc4)CC3)ncc21 20672992 VHUHRTBDPULFRB-FQEVSTJZSA-N 413.521 4.554 0 40 HJAB CN(Cc1cccc(Cl)c1Cl)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 22404339 GGQWJVPSKGHZBK-UHFFFAOYSA-N 420.340 4.896 0 40 HJAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1(C)C 24602158 VFPGQEPIQSGMFQ-HOCLYGCPSA-N 415.887 4.641 0 40 HJAB COc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)cc1 26504669 UHXJWBAUTAUUBT-SFHVURJKSA-N 402.494 4.699 0 40 HJAB O=C(Nc1ccccc1OC(F)F)c1cccc(OCc2cn3ccccc3n2)c1 30013469 DPOMFLBJXHHJHO-UHFFFAOYSA-N 409.392 4.767 0 40 HJAB COC(=O)c1cc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)ccc1Cl 30938940 PTFUYECESIJHAI-HNNXBMFYSA-N 400.906 4.611 0 40 HJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 32779664 WSGNAKNRIAPVPW-GOSISDBHSA-N 419.525 4.962 0 40 HJAB COc1cc(OC)c([C@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)cc1OC 36359134 NLNBQOCQPWZIFV-OAHLLOKOSA-N 413.861 4.675 0 40 HJAB CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3C)cn(Cc3ccc(Cl)cc3)c12 39556730 XPQJCMHBLXYJQQ-NDENLUEZSA-N 423.969 4.935 0 40 HJAB CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 41077019 DBUHRDUXRQKVTL-UHFFFAOYSA-N 403.404 4.989 0 40 HJAB Cc1ccccc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 57251200 LITAEEUGNOZOSH-UHFFFAOYSA-N 403.501 4.709 0 40 HJAB CCCC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1 65203156 DCTBBJYDQYRSAM-FQEVSTJZSA-N 406.482 4.856 0 40 HJAB Cc1nc(CSc2ccccc2C(=O)N(C)CCCC(=O)OC(C)(C)C)cs1 69570516 RIBYHYCRABJPKN-UHFFFAOYSA-N 420.600 4.938 0 40 HJAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1 70707807 NEMWYOKGHGSVSC-NRJMKECVSA-N 415.662 4.563 0 40 HJAB COc1ccc(OCCc2cc([C@H]3CCN(C/C(C)=C/c4ccccc4)C3)n[nH]2)cc1 72371561 CBFAGHBEUUFJGH-PTMWEUFISA-N 417.553 4.933 0 40 HJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC=C(c2c[nH]c3ccccc23)CC1 89518843 WAOFAAFIOZFKTM-OAHLLOKOSA-N 409.917 4.946 0 40 HJAB O=C(Cc1ccc(Cl)cc1)N1CC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 96089449 AIYSEEPUXNBNCK-UHFFFAOYSA-N 403.353 4.661 0 40 HJAB COC(=O)CN[C@H](c1ccc(C)cc1)c1ccccc1NC(=O)c1cccc(Cl)c1 97165881 PSIYDLYSGJXJJX-HSZRJFAPSA-N 422.912 4.753 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1 102735464 IGDNOVPTPQAEFM-ACRUOGEOSA-N 422.843 4.530 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 222503984 WQITVMMMVIKMRB-NRFANRHFSA-N 400.950 4.523 0 40 HJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 222914923 LINLGOYKGASOEU-OAQYLSRUSA-N 421.541 4.578 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 224110246 PULWBSNMUQHOAA-INIZCTEOSA-N 421.368 4.725 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 224554034 CQFPAJRSFRMYJE-NRFANRHFSA-N 418.940 4.601 0 40 HJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 225140780 GCBVQASAFPRIJF-HNNXBMFYSA-N 413.905 4.906 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 225490304 QAGJXKRLWDDTKL-NFBKMPQASA-N 424.585 4.911 0 40 HJAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)COc2ccccc2C)cc1Cl 225637881 KFVLFUGCDZJCAU-CQSZACIVSA-N 406.935 4.579 0 40 HJAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)COc3ccccc3F)o2)c1 257296238 RBWAJZPWZPYGJD-NRFANRHFSA-N 424.472 4.546 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2cc(C)ccc2C)n1C 408596063 NVUCMBYPCYESKA-UHFFFAOYSA-N 424.570 4.613 0 40 HJAB O=C(NC(=S)Nc1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 408597429 ZHDKIWVQIRMAJN-UHFFFAOYSA-N 404.116 4.883 0 40 HJAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(Cl)c3C)C(=O)[C@@H]2C1 408679121 GFCAXBPYUCERHJ-DOTOQJQBSA-N 408.885 4.746 0 40 HJAB C[C@H]1CCCC[C@H]1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 409003586 SZKLVQYKAWIGOI-LXBDKUERSA-N 419.525 4.563 0 40 HJAB CCN(C(=O)c1ccc2c(c1)NC(=O)CCN2C)[C@H](C)c1cccc(C(F)(F)F)c1 531300180 NPNCIIUYBVTGQO-CQSZACIVSA-N 419.447 4.707 0 40 HJAB C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OCC(=O)O)cc1 685944885 GSTQYTCTNOSAQG-INIZCTEOSA-N 417.461 4.750 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1ccc(-c2ccco2)s1 1775969144 YZKLRRPDMQDCEF-OAHLLOKOSA-N 405.903 4.669 0 40 HJAB Cc1ccc2onc(Cc3nn4c(-c5ccc(C(F)(F)F)cc5)nnc4s3)c2c1 633090 CCBKNRYLENJQKD-UHFFFAOYSA-N 415.400 4.912 0 40 HJAB COC(=O)C1=CN([C@H](C)c2ccccc2)C=C(C(=O)OC)C1c1ccccc1Cl 968761 YJBJWRNMIYLDBN-OAHLLOKOSA-N 411.885 4.614 0 40 HJAB CCN(CC)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 2224840 DYRPNJOZWSMIJD-UHFFFAOYSA-N 400.935 4.548 0 40 HJAB CCCCOC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 2356177 ROEHXIRZRLFWJD-UHFFFAOYSA-N 408.889 4.825 0 40 HJAB O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1Cl 2621695 IOZRXYYKWBKRQZ-UHFFFAOYSA-N 419.912 4.555 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 4033037 KRWYVEBMLQUMJT-UHFFFAOYSA-N 406.873 4.846 0 40 HJAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@@H]1c1ccc(OC)cc1 4816570 GVNVCLGEGSTYSS-FGZHOGPDSA-N 404.514 4.853 0 40 HJAB COc1ccc(CCC(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 6237373 PVABXEXBCMFLJJ-UHFFFAOYSA-N 403.504 4.549 0 40 HJAB CCCOc1cccc(C(=O)N(Cc2cccnc2)c2ccc(C(=O)OCC)cc2)c1 6629701 MUHKFOAQHRWNRE-UHFFFAOYSA-N 418.493 4.894 0 40 HJAB COc1ccc(CNC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 6832185 GBQIVOUVHSZJKP-UHFFFAOYSA-N 405.281 4.554 0 40 HJAB O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl 6887203 OUJVHTPSBVSXHA-UHFFFAOYSA-N 404.702 4.921 0 40 HJAB CCOc1ccccc1/C=C1\C(=O)N(c2cccc(SC)c2)C(C)=C1C(=O)OC 6965158 MNKWQNHMAJWHGM-UYRXBGFRSA-N 409.507 4.684 0 40 HJAB O=C(O)/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)Sc1nc2ccccc2o1 7365518 XVSYAOUPRVPGID-PDGQHHTCSA-N 407.407 4.745 0 40 HJAB Clc1ccc(-c2nnc(SCCOc3ccccc3)n2C[C@H]2CCCO2)cc1 7779958 BQEYNFGIHXLSSJ-LJQANCHMSA-N 415.946 4.949 0 40 HJAB Cc1nc(COc2ccc(C(=O)NCc3ccccc3CN3CCCC3)cc2)cs1 8012746 VAUKVAJOINMPEF-UHFFFAOYSA-N 421.566 4.556 0 40 HJAB Cc1ccc(-c2n[nH]c3c2[C@H](c2cccs2)N(c2ccc(C(=O)O)cc2)C3=O)cc1 8024963 PNEXNZXBYMKFHQ-NRFANRHFSA-N 415.474 4.895 0 40 HJAB O=C(CCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 8847990 YPZDGBROLMMQIV-IBGZPJMESA-N 413.901 4.828 0 40 HJAB Cc1cccc(CC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)c1 8959286 GTTOQSCBHAPIFA-UHFFFAOYSA-N 408.542 4.974 0 40 HJAB CN1C(=O)c2ccc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)cc2C1=O 9640021 FQLNJFMWAPNUTK-UHFFFAOYSA-N 419.487 4.503 0 40 HJAB Cc1sc2nc([C@H](C)Sc3nnc(-c4c[nH]c5ccccc45)o3)[nH]c(=O)c2c1C 9956968 XTZQICCFPJQJJE-NSHDSACASA-N 423.523 4.986 0 40 HJAB O=C(COC(=O)c1ccc(Cl)nc1)Nc1cc(Cl)ccc1Oc1ccccc1 10805259 UVWRCKWAHKIGID-UHFFFAOYSA-N 417.248 4.976 0 40 HJAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccc(Br)o1 11667086 WJRROLZWMIOZFN-UHFFFAOYSA-N 424.707 4.880 0 40 HJAB CCOc1cc(CN(Cc2cccnc2)C2CC(C)(C)NC(C)(C)C2)ccc1OC 12118210 HGDLJNFGGJZOMP-UHFFFAOYSA-N 411.590 4.800 0 40 HJAB Cc1nc(C)c(C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)s1 12127777 NCECAHONGDGEMN-UHFFFAOYSA-N 411.575 4.638 0 40 HJAB COc1ccccc1NC(=O)Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1 12390902 XPMPTGFZLZHXNV-UHFFFAOYSA-N 408.401 4.899 0 40 HJAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccccc1N1CCOCC1 12532837 BGUYAGJHPZLDME-UHFFFAOYSA-N 418.562 4.985 0 40 HJAB COc1cc(C(=O)CSc2nc(C)c(C)n2C2CCCC2)cc(OC)c1OC 12582506 SLOGROWAENCJKZ-UHFFFAOYSA-N 404.532 4.616 0 40 HJAB O=C(CSc1nnc(-c2ccccc2Br)o1)c1ccc(F)c(F)c1 13112457 SOPIWPJQKCMHSX-UHFFFAOYSA-N 411.227 4.752 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NCc1ccccc1 13955549 RPGFOHPOQKMTBW-SANMLTNESA-N 423.516 4.728 0 40 HJAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1csc(-c2ccc(Cl)cc2)n1 16046591 VAQXZAXXBZPHJJ-JOCHJYFZSA-N 423.925 4.747 0 40 HJAB CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1 16838142 UQZLRHSDNKPOAH-UHFFFAOYSA-N 422.506 4.993 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(C)cc3)cc12 17315976 BQINFZBEMQLQKM-UHFFFAOYSA-N 418.522 4.834 0 40 HJAB O=C(CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)Nc1ccccc1 19625759 DILKPLLPXVLONW-UHFFFAOYSA-N 411.490 4.675 0 40 HJAB Cc1cc(C)n(-c2ccc(NC(=O)c3cnc(-c4ccc(Cl)cc4)nc3)cc2)n1 19661860 HQDXFRGCYRAVBZ-UHFFFAOYSA-N 403.873 4.852 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCC3)ccc2Cl)c(C)c1 20494121 YSRZCFIZLHIBLR-UHFFFAOYSA-N 420.962 4.772 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3ccccc3Cl)nnc2c1-c1ccc(F)cc1 20633761 VJIVYARFCRDCOR-UHFFFAOYSA-N 409.852 4.707 0 40 HJAB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2cccc(C)c2)n2c1nc1ccccc12 20675744 KJZKSIZZEXJDBK-YADHBBJMSA-N 419.525 4.650 0 40 HJAB COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccccc3)nn1-c1ccccc1)C2 20745177 XDBWGTVUHLLNBO-UHFFFAOYSA-N 411.461 4.713 0 40 HJAB O=C(CSc1ncnc2ccsc12)Nc1ccc(Br)cc1Cl 22069201 CXVYMYGWUCANPP-UHFFFAOYSA-N 414.737 4.838 0 40 HJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 24460518 IKQZQNCSLDFTIO-ZIAGYGMSSA-N 409.313 4.658 0 40 HJAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)C1c2ccccc2Oc2ccccc21 24752100 KPTMHBMMMIAOIU-UHFFFAOYSA-N 409.449 4.551 0 40 HJAB CCOc1c(Cl)cc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1OC 25250130 SBNPKMJYNBNNHP-UHFFFAOYSA-N 411.889 4.553 0 40 HJAB C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)N1CCOCC1 25329156 WJMIMXYRGJRXJX-LIRRHRJNSA-N 408.329 4.577 0 40 HJAB O=C(Cc1csc(-c2ccccn2)n1)N1CCc2sccc2[C@H]1c1ccccc1 25900614 UXNZKBIEFDSNTH-JOCHJYFZSA-N 417.559 4.983 0 40 HJAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 31496793 QCIAACIBHPBZQV-UHFFFAOYSA-N 420.542 4.546 0 40 HJAB O=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)c1cccc(Br)c1 32094691 BHMILUPBMDZYHR-UHFFFAOYSA-N 410.227 4.610 0 40 HJAB CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)N3CCCCC3)no2)cc1 32622952 XNRWTUYEYULIEY-HSZRJFAPSA-N 419.525 4.697 0 40 HJAB O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCC[C@H](c2nnc3ccccn23)C1 32830481 UAHNZMLTQQFWEE-KRWDZBQOSA-N 423.476 4.557 0 40 HJAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(-n4cncn4)nc3)o2)cc1 40080463 PWCPXIYNLRLZBL-UHFFFAOYSA-N 422.448 4.545 0 40 HJAB O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)c1ccc(Br)cc1 44903421 MOLWUZAJNMYHOV-UHFFFAOYSA-N 419.278 4.709 0 40 HJAB Nc1c(Cl)c(Cl)nc(C(=O)OCc2coc(-c3cccs3)n2)c1Cl 48252819 ZXQQJWHRUODEFT-UHFFFAOYSA-N 404.662 4.698 0 40 HJAB COc1ccc2nc(C)c(C(=O)NCc3ccc(N(C)c4ccccc4)nc3)cc2c1 48290905 WAUBRHGFRTUQRH-UHFFFAOYSA-N 412.493 4.645 0 40 HJAB COc1ccc(N(C)C(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)cn1 58169026 DMSHKMNZHYDIRT-UHFFFAOYSA-N 419.485 4.569 0 40 HJAB COC(=O)c1ccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3C)C2=O)cc1 59379260 YWMUYYHUTGYGEI-LICLKQGHSA-N 416.886 4.541 0 40 HJAB C[C@@H](NC(=O)c1nnn(-c2ccccc2Cl)c1-c1cccnc1)c1ccc(F)cc1 67261296 JYUITEPUBXXLCM-CQSZACIVSA-N 421.863 4.613 0 40 HJAB CCS[C@@H]1CC[C@@H](NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 72303481 QGFNZSOHVYRCAT-RTBURBONSA-N 415.555 4.687 0 40 HJAB O=C(NCc1ccc(F)c(Cl)c1)c1cn[nH]c1-c1cccc(Br)c1 72329064 BBYVILDYRWXOHB-UHFFFAOYSA-N 408.658 4.562 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc4cccc(C)c4nc3Cl)C2)c(OC)c1 89689015 RUWWPQOZHGTFJL-HXUWFJFHSA-N 423.900 4.911 0 40 HJAB CC(C)N(Cc1ccc(NC(=O)C(F)(F)c2ccccn2)cc1)C[C@H]1CCCCO1 95461567 JTYLRBLNTMHVLP-HXUWFJFHSA-N 417.500 4.592 0 40 HJAB C[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)/C=C/c1ccccc1)c1ccccc1 95951568 RQUOXSVJZAAWGN-NELPEVFNSA-N 422.569 4.791 0 40 HJAB Brc1ccc(C2=C[C@H](c3cccc4ccccc34)n3nnnc3N2)cc1 101070163 NRIVPVSKNITMBB-LJQANCHMSA-N 404.271 4.645 0 40 HJAB N=c1c2c(ncn1CCCO)Oc1ccc3ccccc3c1[C@@H]2c1ccc(Cl)cc1 101357301 ZDSPXWZESUTQQI-FQEVSTJZSA-N 417.896 4.837 0 40 HJAB COc1cc(/C=C/C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cc(OC)c1OC 211078865 CBLQFIFLKDXURO-LKQLOZHYSA-N 413.489 4.661 0 40 HJAB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)cc1 216284000 OUSPECGCPGAHRZ-HSZRJFAPSA-N 422.550 4.985 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(N(C)C)cc1 222975005 PBCWRHUYGRIPPB-GOTSBHOMSA-N 419.598 4.711 0 40 HJAB O=C(NCCOc1cccc2ccccc12)[C@@H]1CCCN(Cc2ccccc2Cl)C1 223569240 GMGKOWBAJZEUGX-OAQYLSRUSA-N 422.956 4.900 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1C1CCCC1 225005889 PVGYBNMJBLMGFU-HZPDHXFCSA-N 408.390 4.821 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 225556056 FBXHBDNAIYPCDH-XUZZJYLKSA-N 408.586 4.876 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 225608134 RZIKDQFAUIROHJ-XMSQKQJNSA-N 414.977 4.913 0 40 HJAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)CCc3ccccc3F)CC2)on1 257290008 QBCOBRSFIPWSPV-UAPYVXQJSA-N 424.520 4.545 0 40 HJAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 408680393 RRXZPTVAYYZEQP-QFIPXVFZSA-N 424.522 4.592 0 40 HJAB COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1ccc(F)cc1 409086375 QOEDJRQJMBDMNL-MOSHPQCFSA-N 424.472 4.639 0 40 HJAB O=C(NCCc1nc(-c2ccncc2)cs1)c1ccc(C(F)(F)F)cc1Cl 537168769 QSMFRLWYKNZROV-UHFFFAOYSA-N 411.836 4.850 0 40 HJAB Cc1nc(-c2ccc(S(=O)(=O)N[C@H](C)Cc3csc4ccccc34)cc2)co1 575621814 UYWVLEQKXXTHKI-CQSZACIVSA-N 412.536 4.774 0 40 HJAB O=C(NCc1ccc(C(F)(F)F)cc1)C1CCN(c2nc3ccccc3s2)CC1 589298116 XJHRJGNTRNTGFQ-UHFFFAOYSA-N 419.472 4.848 0 40 HJAB COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccc(F)cc3)C2)cc1 659318 FHEPEOIGVMQDEJ-HSZRJFAPSA-N 424.497 4.683 0 40 HJAB CCOc1ccc2nc(SCC(=O)Nc3cccc(NC(C)=O)c3)c(C)cc2c1 1329390 UZCQWYYKLYKHRB-UHFFFAOYSA-N 409.511 4.631 0 40 HJAB CCOC(=O)[C@H]1CCN(C(=O)c2ccccc2)c2scc(-c3ccccc3)c2C1=O 1692888 VGKQZTCHEWERLO-SFHVURJKSA-N 419.502 4.828 0 40 HJAB Cc1ccc(S(=O)(=O)NCCCCCC(=O)Nc2cccc3ccccc23)cc1 2184258 JXBGVMOKWGNZAW-UHFFFAOYSA-N 410.539 4.626 0 40 HJAB CCCCCn1c(NS(=O)(=O)c2ccc(C)cc2)cc2nc3ccccc3nc21 2219516 PZVMFYCVKHGNNP-UHFFFAOYSA-N 408.527 4.884 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2C)c1 2227015 OYKUAQQNVQUQNQ-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1)Nc1ncc(C(F)(F)F)cc1Cl 3291446 TYMZGVGECYDBRM-ZZXKWVIFSA-N 419.186 4.602 0 40 HJAB CCc1nc2c3cc(OC)c(OC)cc3nc(SC/C=C/c3ccccc3)n2n1 4050924 SZLHYWGOKHIPFS-DHZHZOJOSA-N 406.511 4.663 0 40 HJAB COc1ccccc1-n1nnc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1C 4316301 XDGCTOJJOYKLGM-UHFFFAOYSA-N 400.438 4.629 0 40 HJAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 4517755 DWSUZXMIEVIWLT-UHFFFAOYSA-N 408.504 4.619 0 40 HJAB Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2cccc(Cl)c2)cc1 4816459 ZNVADEZFSJIGQW-UHFFFAOYSA-N 403.873 4.603 0 40 HJAB Oc1ccc2c(c1)Oc1ncn3nc(-c4ccc(F)cc4)nc3c1[C@@H]2c1ccccc1 5164493 HTMBAPHXKLFYEM-HXUWFJFHSA-N 410.408 4.922 0 40 HJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1C 5861328 JXGAHAMBJWKROT-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB O=C(COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)Nc1ccc(F)cc1 6590205 ORYJSUQDMRNHDL-UHFFFAOYSA-N 416.408 4.943 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1nn(-c2ccccc2)c(=O)c2ccccc12 6646738 WWPMNAQQCUAHOU-UHFFFAOYSA-N 409.367 4.657 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)cc1F 6789574 RFBSYFNGSZEVEK-UHFFFAOYSA-N 416.497 4.919 0 40 HJAB C[C@@H]1c2ccsc2CCN1C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 7829603 FFTLDTBTUYGZSG-MRXNPFEDSA-N 400.507 4.755 0 40 HJAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1OCc1cn2ccccc2n1 8725156 BVYBYHGXADMAAX-UHFFFAOYSA-N 401.510 4.612 0 40 HJAB CCOc1ccc(-c2nnc(NC(=O)c3ccccc3Br)s2)cc1 8739862 VGBPGRMBEGHDEZ-UHFFFAOYSA-N 404.289 4.619 0 40 HJAB O=C(/C=C/c1ccco1)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 9062164 GDFPBVJYMIVOFN-OUKQBFOZSA-N 416.462 4.702 0 40 HJAB Fc1ccc([C@@H]2c3[nH]cnc3CCN2C(=S)Nc2cccc(C(F)(F)F)c2)cc1 9382425 IEPCOEIITXRPMA-GOSISDBHSA-N 420.435 4.912 0 40 HJAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1CSc1nc2ccccc2[nH]1 9515463 IGUHWCXAWJMUSU-UHFFFAOYSA-N 417.490 4.514 0 40 HJAB COCc1ccc(C(=O)Nc2cccc(COC(=O)c3ccc(COC)cc3)c2)cc1 9576528 XDWAUENXPCOGIR-UHFFFAOYSA-N 419.477 4.589 0 40 HJAB O=C(Nc1nnc(SCc2ccccc2)s1)c1cc(Br)cs1 11690091 FYHDDPLIFFJQAC-UHFFFAOYSA-N 412.359 4.907 0 40 HJAB COc1ccc(C2(NC(=O)c3ccc(OC)c(Cn4cccn4)c3)CCCCC2)cc1 12143171 MVNSGHXHSFUQNR-UHFFFAOYSA-N 419.525 4.538 0 40 HJAB Cc1ccc(Nc2nc(Nc3cc(Cl)ccc3C)nc(N3CCOCC3)n2)cc1C 12235161 QGLATJXOQRCZEY-UHFFFAOYSA-N 424.936 4.774 0 40 HJAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccccc1N1CCCC1 12563439 LZAYMZPVJLODKS-QHCPKHFHSA-N 423.607 4.996 0 40 HJAB O=C(Cc1csc2nc(-c3ccccc3)cn12)NCc1cccc(C(F)(F)F)c1 12627383 ZXMKCKLGANPWSH-UHFFFAOYSA-N 415.440 4.941 0 40 HJAB Cc1oc(C)c(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1C 12977979 UPLXNYMIBXYCPY-UHFFFAOYSA-N 418.902 4.911 0 40 HJAB Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)n(-c2nc3ccccc3[nH]2)n1 13639519 XRNAJNUXKCNHBM-UHFFFAOYSA-N 408.461 4.795 0 40 HJAB Cc1cnc(NC(=O)COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)s1 13719936 XWKRYUVKQAGBDO-UHFFFAOYSA-N 406.463 4.551 0 40 HJAB biogenic COc1cccc(OC)c1C(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C 13856274 KMVABEXGTUSTLG-UHFFFAOYSA-N 422.872 4.652 0 40 HJAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 14399675 OIHKEABTHOCBBK-LBPRGKRZSA-N 402.318 4.949 0 40 HJAB Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)CCC4CCCCC4)CC3)n2)cc1 17042548 GWZRIKUWHPSZCR-UHFFFAOYSA-N 421.589 4.846 0 40 HJAB COc1cccc(-c2nnc(CSc3nnc(COc4cc(C)cc(C)c4)o3)o2)c1 19928364 ULMFJJBEFFOHTE-UHFFFAOYSA-N 424.482 4.616 0 40 HJAB CCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)cc1 22907794 CPCODUCNHPYYQP-QFIPXVFZSA-N 406.551 4.676 0 40 HJAB Cc1ccc(OCCN(Cc2ccccc2)Cc2nc(O)c3sccc3n2)cc1 24528326 AKKGCXSWBYKZQT-UHFFFAOYSA-N 405.523 4.787 0 40 HJAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCC(c1ccccc1)c1ccccc1 24577831 RQLJZSXVFJIMLT-SFHVURJKSA-N 420.940 4.797 0 40 HJAB CC[C@@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)N(CC)c2ccccc2)c1 24761938 PWRPPFAAELFQKS-HXUWFJFHSA-N 414.571 4.615 0 40 HJAB COC(=O)c1cc(NC(=O)CCOc2ccccc2-c2ccccc2)c(F)cc1F 24920441 MPYBMLLNVUVJTN-UHFFFAOYSA-N 411.404 4.826 0 40 HJAB CC1CCN(Cc2ccc(CNC(=O)Cc3csc(-c4ccccc4)n3)cc2)CC1 29341889 OAQDFJGEGNWCNY-UHFFFAOYSA-N 419.594 4.901 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 30863991 IJIVXUACGSBXCM-SFHVURJKSA-N 408.523 4.595 0 40 HJAB O=C(COc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1)NCc1ccccc1 33325143 JERYLTMVADCJEG-UHFFFAOYSA-N 419.868 4.752 0 40 HJAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3nn(C)c(C)c3Cl)c12 36616183 MJYJWPXXICKJAQ-UHFFFAOYSA-N 420.904 4.554 0 40 HJAB Cc1nc(COc2ccc(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)cc2)no1 40033650 OUGZZFONCZWBPF-KRWDZBQOSA-N 415.902 4.577 0 40 HJAB Cc1ccc(C(=O)Nc2nc3ccc(NC(=O)COc4ccccc4)cc3s2)s1 40152524 ZZSJMQNXRYVMED-UHFFFAOYSA-N 423.519 4.936 0 40 HJAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccccc1OC[C@@H]1CCCO1 48234612 JQAXQXYWJQHUMF-MAUKXSAKSA-N 403.931 4.865 0 40 HJAB Cc1[nH]c(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)c(C)c1C(=O)OC(C)C 48342331 SIMRHSUOEFJBSB-UHFFFAOYSA-N 420.513 4.649 0 40 HJAB CC(C)CCN(C(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1)C1CC1 58202265 XIXAKRPLCASALT-UHFFFAOYSA-N 414.937 4.707 0 40 HJAB COc1cccc(N(C(=O)c2cn3ccccc3n2)c2nc3ccccc3s2)c1 69871404 WBWWNLDIGIDXLN-UHFFFAOYSA-N 400.463 4.931 0 40 HJAB Cc1sc2nc(CN3CCC[C@@H]3c3cccc(Br)c3)[nH]c(=O)c2c1C 89562934 LEADCWDEDSRVFO-OAHLLOKOSA-N 418.360 4.701 0 40 HJAB COC(=O)c1nc(NC(=O)c2nc(C)sc2Cc2ccccc2)sc1C(C)C 95474462 JHBQQEMWWNZEBX-UHFFFAOYSA-N 415.540 4.661 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)c1 95482277 SRJJXWNAAZHKSE-INIZCTEOSA-N 413.905 4.741 0 40 HJAB O=S(=O)(Nc1cc(F)cc(F)c1)c1cc(Br)cc(C(F)(F)F)c1 98073055 ORXDJENKZMBVNW-UHFFFAOYSA-N 416.165 4.547 0 40 HJAB O=C(/C=C/c1ccccc1Cl)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 219172572 OZRSVBQNBXFNGF-IEJURRBGSA-N 401.915 4.789 0 40 HJAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)n1 220810632 SPSDANDCBPNTJC-QGZVFWFLSA-N 400.482 4.621 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 222594919 JELOIMIQTDFEON-NRFANRHFSA-N 400.950 4.523 0 40 HJAB O=C(NCc1ccc2ccccc2c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 222770331 QJHUIXSDEJDCSQ-UHFFFAOYSA-N 416.502 4.571 0 40 HJAB COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1 222932087 JAIOHSZMQLDWAP-VXKWHMMOSA-N 406.555 4.509 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 223432485 GNVLDEGQSXGBOX-FQEVSTJZSA-N 418.940 4.744 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 223804905 HQQOBZMGNUPAOQ-NRFANRHFSA-N 406.570 4.712 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 224351547 RTOVGLRTQXKPHF-MRXNPFEDSA-N 421.368 4.725 0 40 HJAB Cc1cc(OCC(=O)NCc2cccc(CN3CCCCC3)c2)cc(C)c1Cl 224675345 HZBNVCAQOGYTRR-UHFFFAOYSA-N 400.950 4.638 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 224882224 NZJVVWVBJQQWDT-INIZCTEOSA-N 421.368 4.870 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 225219126 KLCJPAZKOCVOKQ-QFIPXVFZSA-N 414.977 4.833 0 40 HJAB CCOc1ccccc1NC(=O)c1snnc1-c1ccc(Br)cc1 225784273 PYCOTIUBJNUENY-UHFFFAOYSA-N 404.289 4.619 0 40 HJAB CCCO[C@@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OC)c2)CCC[C@@H](C)C1 225853533 XQDUDQGJJARYDS-DGGJZMOXSA-N 405.535 4.965 0 40 HJAB Fc1ccc(N2[C@@H](n3nnc4ccccc43)CCC[C@H]2n2nnc3ccccc32)cc1 408722472 UOTANFADQCVGAX-ZRZAMGCNSA-N 413.460 4.703 0 40 HJAB O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2)c1ccc2c(c1)OCO2 409118445 QCUBTLZAHZJCED-UHFFFAOYSA-N 420.490 4.860 0 40 HJAB O=C(COc1ccc(C(=S)N2CCCC2)cc1)Nc1ccc(Cl)c(Cl)c1 409231302 JSQIIWPZBYHQQT-UHFFFAOYSA-N 409.338 4.782 0 40 HJAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)c1ccncn1 643581911 DBJKTPHOMDMIPP-NRFANRHFSA-N 416.525 4.538 0 40 HJAB CCC(CC)CN1CCOCCOc2ccc(C(=O)O)cc2Cc2cccc(c2)C1 643583143 RVDPSHLSEKLEDS-UHFFFAOYSA-N 411.542 4.623 0 40 HJAB Cn1nccc1-c1ccc(CCNC(=O)C2c3ccccc3Oc3ccccc32)cc1 1889302882 VJGUYCXJMOIHEU-UHFFFAOYSA-N 409.489 4.684 0 40 HJAB COc1ccc(-c2ccccc2)cc1CN1CCC[C@@H]1c1ccnc(CNC(C)=O)c1 2037845894 MRHJBNBSANSCEZ-RUZDIDTESA-N 415.537 4.730 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OC 1013148 GRDWFQXUKYIDFV-RQZCQDPDSA-N 407.850 4.733 0 40 HJAB COc1ccc(NC(=S)Nc2cc(OC)c(NC(=O)CC(C)C)cc2OC)cc1 1324361 UMCXWNPHYFTKIX-UHFFFAOYSA-N 417.531 4.506 0 40 HJAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(CC(C)C)C(=O)C(F)(F)F)s1 1366011 YBFKXFHCFQXTGS-INIZCTEOSA-N 404.498 4.593 0 40 HJAB Cc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(Cl)cc2)c1 1512911 XNXCOXHEHDVVEE-UHFFFAOYSA-N 404.853 4.549 0 40 HJAB O=C(c1ccccc1)[C@H](c1ccccc1)[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 1624367 DUESBWOCHRCRBK-PGRDOPGGSA-N 412.272 4.800 0 40 HJAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccccc2OC)cc1 2252482 IVYSDQKKWSLBGR-UHFFFAOYSA-N 416.477 4.550 0 40 HJAB C[C@@H](NC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12)c1ccccc1 2290234 GNXICJSKOUQZNN-QGZVFWFLSA-N 421.504 4.706 0 40 HJAB Cc1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)cc1 2418563 SRJPFDRXSWWNQL-UHFFFAOYSA-N 418.522 4.660 0 40 HJAB Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1C[C@H]1CCCO1 2655564 PTSVKSRMFUUZJH-OAHLLOKOSA-N 410.297 4.630 0 40 HJAB COc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3n2)cc1 3215915 SQFODJWPGSAXQN-UHFFFAOYSA-N 423.516 4.873 0 40 HJAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1cccc2ccccc12 3288817 QSOMXRWZKDYJOZ-UHFFFAOYSA-N 402.475 4.685 0 40 HJAB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)Nc1cc(Cl)ccc1Cl 3423043 ZINGIVPGIIEDBR-UHFFFAOYSA-N 413.304 4.880 0 40 HJAB C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)Nc2ccc(OCc3ccccc3)cc2)[C@@H]1C 4598758 BOQRVJRRDQKUTH-DNVFCKCGSA-N 408.542 4.925 0 40 HJAB O=C(c1ccccc1)c1cc2c(cc1NC(=O)C13CC4CC(CC(C4)C1)C3)OCCO2 4699552 SGACGQLMHWGHMY-UHFFFAOYSA-N 417.505 4.844 0 40 HJAB Clc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1Cl 4941989 URYHZWNVQBPBQC-UHFFFAOYSA-N 407.349 4.903 0 40 HJAB COc1cc2[nH]c(/C(Cl)=C/c3cccc(C(F)(F)F)c3)nc(=O)c2cc1OC 5264828 GVUJWFSAMHIPJD-QPEQYQDCSA-N 410.779 4.696 0 40 HJAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccco4)cc3n2)cc1 6630109 IZWWOSFYOMGWMR-OUKQBFOZSA-N 415.497 4.820 0 40 HJAB COc1ccc([C@@H](NC(=O)Cc2coc3cc(OC)ccc23)c2ccccc2)cc1 6879718 QSYJFRZUQDCMOT-VWLOTQADSA-N 401.462 4.898 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(=O)Nn3c(C)ccc3C)cc2)c(C)c1 7302010 RFFNANPZLMIKCI-LJQANCHMSA-N 405.498 4.512 0 40 HJAB CCn1cc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c(=O)c2ccc(C)nc21 7777797 DWVHRVDWMFVVGP-UHFFFAOYSA-N 421.516 4.839 0 40 HJAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3cc(C)c(Br)cc3C)CC2=O)c1 7882591 JCGCSHINRKKVGF-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB COc1cccc(CCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1OC 7948126 VFSFAPLMMYQNEE-OAQYLSRUSA-N 413.564 4.934 0 40 HJAB CS(=O)(=O)N(CCCC(=O)Nc1cccc2ccccc12)c1ccc(Cl)cc1 8040794 FXBXTIDWFDMZKM-UHFFFAOYSA-N 416.930 4.678 0 40 HJAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)c1ccc(-c2ccccc2)cc1 8157174 XVVKRAKDXGOZHA-SFHVURJKSA-N 411.552 4.771 0 40 HJAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)n2)cc1 8484146 SYYKEQGHHPERIS-MGPUTAFESA-N 406.555 4.709 0 40 HJAB Cc1c(Cc2ccccc2)sc(NC(=O)c2ccc(OC(C)C)cc2)c1C(N)=O 8562940 JABMQHRUFLZKBK-UHFFFAOYSA-N 408.523 4.786 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 8709536 QDUZCOJCNHGOSP-QFIPXVFZSA-N 417.509 4.744 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccnc1 9545882 BMEFBIBJEXNPOZ-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CCN(C(=O)Nc2ccccc2)CC1 9882669 QNHPCYIZPHUFPE-UHFFFAOYSA-N 421.497 4.611 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)n3ncnc3N2C(=O)c2ccccc2)cc1 10060329 VMZVNQDGAGWEKX-ZEQRLZLVSA-N 424.504 4.976 0 40 HJAB Cc1cc(C(=O)N[C@@H](C)c2ccccc2Br)c2cnn(C(C)C)c2n1 10965760 XLQYJZSMYLWGHR-ZDUSSCGKSA-N 401.308 4.574 0 40 HJAB CC(C)[C@@H](NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O)c1ccccc1 12747532 WWVDOOAEWWTISW-JOCHJYFZSA-N 417.534 4.639 0 40 HJAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 12754740 MSZVOLCPJJCRMY-QZTJIDSGSA-N 419.550 4.594 0 40 HJAB Cc1ccc(N2C[C@@H](c3nnc(NC(=O)CCC4CCCCC4)s3)CC2=O)cc1 13944486 XOSCHTFNXSDGOB-KRWDZBQOSA-N 412.559 4.666 0 40 HJAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc2ccccc2n1 15317926 FQJISQGAHYPEEC-UHFFFAOYSA-N 400.507 4.502 0 40 HJAB CC1=CC(C)(C)N2C(=O)[C@@]3(S[C@@H](C)C(=O)N3c3ccccc3)c3cc(C)cc1c32 17082954 OSFXYNKICFYGKY-FYSMJZIKSA-N 404.535 4.858 0 40 HJAB CC(C)C(NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)C(C)C 20034809 WDRLCBGNRRVWMY-UHFFFAOYSA-N 408.951 4.551 0 40 HJAB COc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1Br 20142306 ROYYDIYAAZZPBL-UHFFFAOYSA-N 416.271 4.771 0 40 HJAB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Cl)cc2)CC1 20412504 BPZLMUXABUNOHW-UHFFFAOYSA-N 420.340 4.550 0 40 HJAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CC(O)=Nc2cc(-c3ccc(Cl)cc3)nn21 20738347 VHSGDADCPLKSCK-INIZCTEOSA-N 402.788 4.653 0 40 HJAB CCc1cc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)sc1C 22089019 ISGPPQVEDPIXPK-UHFFFAOYSA-N 417.884 4.649 0 40 HJAB O=c1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]nc1Cc1ccccc1Cl 22409264 SOZQQVQUYFOFSQ-UHFFFAOYSA-N 415.202 4.825 0 40 HJAB COc1ccc([C@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CCCC2)cc1 27994062 WAXCKFHMNRXLIS-NRFANRHFSA-N 406.526 4.934 0 40 HJAB COc1ccc2ccccc2c1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccc(Cl)cc1 28462546 YYCLMUXJVVGSDV-OAQYLSRUSA-N 421.884 4.768 0 40 HJAB Cc1ccc2nc(C)c(C(=O)OCC(=O)c3cc(C)n(-c4nccs4)c3C)cc2c1 32854512 MOKOQLPSEVEYMB-UHFFFAOYSA-N 419.506 4.755 0 40 HJAB CC(=O)c1cccc(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C)c2)c1 32912928 IXTHDTZQHDTEGY-UHFFFAOYSA-N 405.498 4.698 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 34701736 JXSIXESCLOWLKG-QFIPXVFZSA-N 414.549 4.696 0 40 HJAB Fc1ccc(-c2nnc3sc(-c4cccc(F)c4F)nn23)cc1Br 36364995 CFPSOUIWBMCONN-UHFFFAOYSA-N 411.206 4.700 0 40 HJAB CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)C(=O)Nc1ccc(Cl)cc1 40155867 ZCDZWCLWTLMNMC-UHFFFAOYSA-N 400.885 4.976 0 40 HJAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)Nc1ccccc1Cc1ccccc1 43334088 MRCDVDAQMINREQ-UHFFFAOYSA-N 413.521 4.835 0 40 HJAB CCOC(=O)c1cc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)ccc1Cl 44939665 RYVGTIYDSOILSC-UHFFFAOYSA-N 418.896 4.507 0 40 HJAB COc1cc(Nc2c(C(=O)OC(C)C)cnc3nc(C)ccc23)c(OC)cc1Cl 49004518 PPWRDOGPHVTHMW-UHFFFAOYSA-N 415.877 4.918 0 40 HJAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 58434663 ZDMCHGBQXPSEAK-GBXCKJPGSA-N 421.585 4.548 0 40 HJAB CCOC(=O)CCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1 144011456 SBNZRPHMBIUBDC-UHFFFAOYSA-N 401.894 4.573 0 40 HJAB COC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 223792903 GBSXCTSJLXQEBA-UHFFFAOYSA-N 417.870 4.720 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)C)cc1 224614009 CARFPWCDYZJVBW-QGZVFWFLSA-N 418.990 4.682 0 40 HJAB Cc1ccc(CN(C(=O)CCc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)cc1 225532164 DKTBMPKIGATDHK-GOSISDBHSA-N 400.950 4.523 0 40 HJAB Cc1nc2ccccn2c1-c1nnc2sc(COc3ccc(C(C)(C)C)cc3)nn12 227143451 MYWUUSMELPQSHA-UHFFFAOYSA-N 418.526 4.685 0 40 HJAB Cc1[nH]c2ccc(C(=O)NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2c1C(C)C 257202294 ALELQKPPNPDEHZ-UHFFFAOYSA-N 424.444 4.737 0 40 HJAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(O)c5ccccc45)OCC[C@@]31C2 257238812 HMQLLTCIWTWDHS-PGVLJIRFSA-N 423.553 4.581 0 40 HJAB Cc1cccnc1Nc1ccc([C@H]2CN(CCCOc3ccc(F)cc3)CCO2)nc1 257341054 ZIRFVUGMWUPUHT-HSZRJFAPSA-N 422.504 4.510 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)C2CCCCC2)cc1 409006160 XYCULRSATJDCPA-UHFFFAOYSA-N 414.571 4.574 0 40 HJAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1ccccc1 409335426 ZYEIWJWXUCLZNV-AWEZNQCLSA-N 400.935 4.735 0 40 HJAB O=C(Cc1noc2ccccc12)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 511020906 ZBOMSIGLFKVZNQ-KRWDZBQOSA-N 422.529 4.672 0 40 HJAB Cc1ccc(NCc2n[nH]c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 892311 KUQAFISRWWDXFW-UHFFFAOYSA-N 422.341 4.763 0 40 HJAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccccc1 900669 UVQAVUWBYZKZSA-RXVVDRJESA-N 420.582 4.780 0 40 HJAB O=C(CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1)Nc1ccccc1 1223950 JOQOZRRHCZODNZ-UHFFFAOYSA-N 421.913 4.714 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)cc1 1329201 HMROMSAPXFIMDC-UHFFFAOYSA-N 402.479 4.558 0 40 HJAB Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 2298340 UXTVPXNSTRWQLQ-UHFFFAOYSA-N 419.916 4.872 0 40 HJAB O=C(Nc1ccc(I)cc1)c1c2c(nc3ccccc13)CCC2 2632488 MROFDPYTTRZZBA-UHFFFAOYSA-N 414.246 4.580 0 40 HJAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)c3cc(C)c(C)cc3C)n2)n1 2664666 NPSDTYBGDATPTA-UHFFFAOYSA-N 411.889 4.503 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2c(C)nn(Cc3cccc(Cl)c3)c2C)c1 2792463 UTBQJVCDDSOUDE-UHFFFAOYSA-N 403.935 4.619 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)c1 2961532 XNZVAPJLGYPHED-UHFFFAOYSA-N 405.479 4.936 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cccc(Br)c1 3208710 XFHFBQAEQILNCT-UHFFFAOYSA-N 403.257 4.554 0 40 HJAB Cc1ccc(-c2cc(C(=O)OCC(=O)NCc3ccccc3)c3ccccc3n2)cc1 3217050 AWAJCYNSNNAPIX-UHFFFAOYSA-N 410.473 4.683 0 40 HJAB CCOc1ncccc1C(=O)O[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 3344613 MHPOXNFAALFJPD-HXUWFJFHSA-N 424.884 4.979 0 40 HJAB COc1ccc(CCSc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1 3553519 HNOZAOLOBGUKSF-HNNXBMFYSA-N 416.978 4.887 0 40 HJAB COc1cc(OC)cc(-c2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)o2)c1 4276121 NUFPCUBYQKBSGG-UHFFFAOYSA-N 401.422 4.673 0 40 HJAB COc1ccc(OC)c2sc(NC(=O)COc3ccc(Cl)cc3Cl)nc12 4331159 AQNFFOSBIRGSFU-UHFFFAOYSA-N 413.282 4.638 0 40 HJAB Cn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nc2cccnc21 4852790 GFJXHGGFOIYGBF-UHFFFAOYSA-N 400.507 4.524 0 40 HJAB CC(C)CCN1C(=O)N(C2CCCCC2)[C@H](N(O)C(=O)NC2CCCCC2)C1(C)C 6663973 PRHILGZPAVBMHH-HXUWFJFHSA-N 422.614 4.941 0 40 HJAB O=C(CSc1ccc2c(c1)OCCO2)N[C@H](Cc1ccccc1)c1ccccc1 6849664 FMQSHGVDRXGMMX-OAQYLSRUSA-N 405.519 4.650 0 40 HJAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc(Cl)cc1Cl 6886776 XXIQXURWIVRCSO-UHFFFAOYSA-N 409.294 4.718 0 40 HJAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1cc2ccc(C)c(C)c2nc1Cl 7090737 AAKGDMNICFKFOR-UHFFFAOYSA-N 417.914 4.574 0 40 HJAB Cn1c(COc2ccccc2Cl)nnc1SCc1ncc(-c2ccccc2)o1 7236101 ZUBDWBKAQFDUHP-UHFFFAOYSA-N 412.902 4.995 0 40 HJAB CCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1cccc(Cl)c1 7501826 MSBBWBLHTDNPMJ-GOSISDBHSA-N 412.946 4.730 0 40 HJAB COCc1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1-c1ccc(OC)cc1 9261095 ROQPCXDUPWRTRB-UHFFFAOYSA-N 403.360 4.830 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ncnc2sc(C)c(C)c12 9284641 BHGFALKOXKFTIQ-UHFFFAOYSA-N 423.567 4.841 0 40 HJAB Cc1noc(C)c1COc1ccccc1C(=O)OCC(=O)c1cc(C)n(C2CC2)c1C 9619352 UUIZKXPUBHDDCO-UHFFFAOYSA-N 422.481 4.663 0 40 HJAB O=C(Nc1ccnn1Cc1ccccn1)c1cccnc1Sc1ccc(Cl)cc1 9669533 GIYNVTNGMZEPSW-UHFFFAOYSA-N 421.913 4.778 0 40 HJAB CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10324532 HJNFHLBNKDQHDW-HNNXBMFYSA-N 422.978 4.566 0 40 HJAB COc1ccc([C@@H](C)NC(=O)Cn2ccc3ccnc(-c4cccc(OC)c4)c32)cc1 12231842 IOENFTWDQFPFCU-QGZVFWFLSA-N 415.493 4.598 0 40 HJAB COCc1c(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)sc2cccc(F)c12 12556831 WNQGSHOHNPTEIT-AWEZNQCLSA-N 409.486 4.864 0 40 HJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1ccccc1CN1CCCCC1 12745512 HILPBQGMZGKFHP-UHFFFAOYSA-N 421.516 4.716 0 40 HJAB CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(Cl)cc1 12778595 KGMDQUIIORSRMW-CYBMUJFWSA-N 401.923 4.558 0 40 HJAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1 13011026 NVCNFFWOXJLWLG-UHFFFAOYSA-N 414.552 4.763 0 40 HJAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cc1cccc2ccccc12 13096322 YPAMCABEDWRKLB-UHFFFAOYSA-N 419.912 4.711 0 40 HJAB CC(=O)N(C)Cc1ccc(C(=O)COc2c(C)cc(Br)cc2Cl)cc1 14200780 YKJRIIAMOUFCHZ-UHFFFAOYSA-N 424.722 4.651 0 40 HJAB CC(C)(C)c1ccc(COc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)cc1 16323222 OWYZSHZFJJDXCL-WKZKVMAPSA-N 401.506 4.875 0 40 HJAB CCCCc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)cc1 16755708 QYYNWLCYBFZRLV-UHFFFAOYSA-N 415.584 4.685 0 40 HJAB CCCC(=O)N1N=C(c2ccc(OCC)cc2)Sc2c1nc(C)n2C(=O)CCC 16806992 GIVXQWLYTQLFFZ-UHFFFAOYSA-N 414.531 4.631 0 40 HJAB Cc1cc(-c2snnc2[C@@H]2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)on1 19120763 JQFMAJPPJDUKPS-CQSZACIVSA-N 408.449 4.900 0 40 HJAB CC(C)c1ccc(NC(=O)Cn2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc1 20095765 VQDYJRBEONJKAT-UHFFFAOYSA-N 401.510 4.551 0 40 HJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 20488645 CDLZIOWLDXUTIY-GOSISDBHSA-N 406.482 4.541 0 40 HJAB CN1CCc2nc3sc(C(=O)c4ccc(F)cc4)c(N)c3c(-c3cccs3)c2C1 20813691 SNFDVTQVXKMTCR-UHFFFAOYSA-N 423.538 4.965 0 40 HJAB CC(C)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 22410924 IHYWVXAFNHLPLL-INIZCTEOSA-N 420.962 4.503 0 40 HJAB CC(C)CCC[C@H](C)NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 26182106 VVLVUBPQCNLFKX-AWEZNQCLSA-N 420.907 4.800 0 40 HJAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c(C)s1 32098313 OXORCXAKXXWSHL-UHFFFAOYSA-N 410.904 4.664 0 40 HJAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)n1 32578685 ARBQUORDJXICEJ-UHFFFAOYSA-N 405.376 4.896 0 40 HJAB COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N2CCCC2)cc1 32623528 SYPKGZQGPOXTRH-QHCPKHFHSA-N 419.525 4.534 0 40 HJAB C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 32908316 RQSBZQIUDNJZTA-WBMJQRKESA-N 411.354 4.927 0 40 HJAB O=C1Cc2cc(C(=O)CSc3nnc(-c4cccc(Cl)c4)o3)c(Cl)cc2N1 35670679 PEAIWLKFUQNTAA-UHFFFAOYSA-N 420.277 4.513 0 40 HJAB O=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)C1(c2ccccc2)CCOCC1 38671609 KVTFIJUWBFLUQG-UHFFFAOYSA-N 417.553 4.701 0 40 HJAB Cc1cccc(NC(=O)CSCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 40067459 LDMVSLNLZZNTJK-UHFFFAOYSA-N 407.417 4.936 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3F)on2)c(C(F)(F)F)c1 40122749 GBDDHPMHXXAJBO-UHFFFAOYSA-N 407.323 4.710 0 40 HJAB Cc1nc(COc2ccc(C(=O)N[C@@H](C)Cc3c(F)cccc3F)cc2)cs1 40155930 AJHWCBDPWZEUIS-ZDUSSCGKSA-N 402.466 4.670 0 40 HJAB CC[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(OC)cc1 44884850 VAHCIMAJRPYSTP-SFHVURJKSA-N 408.361 4.958 0 40 HJAB CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 44911493 XOLCFHKYCKAJQQ-UHFFFAOYSA-N 418.896 4.507 0 40 HJAB CN(Cc1nc2ccc(Cl)cc2n1CCO)C(c1ccccc1)c1ccccc1 58120573 UMICZBUAMALAEN-UHFFFAOYSA-N 405.929 4.903 0 40 HJAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)cc1F 67296641 ZQFRNOZZBJTHDU-RWEWTDSWSA-N 403.413 4.769 0 40 HJAB Cc1nc([C@@H]2CCCCN2CCc2ccccc2)ncc1C(=O)Nc1ccccc1F 72345447 QJMPRDXRGBQFPK-QHCPKHFHSA-N 418.516 4.946 0 40 HJAB CCCc1ncc(-c2ccncc2C)c([C@@H]2CCCN2C(=O)c2cc(C(C)C)no2)n1 72390625 FGCXJYDMUQSYSY-FQEVSTJZSA-N 419.529 4.888 0 40 HJAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(CSCc2ccco2)CC1 90608434 VFCPLKWBWKMAKM-UHFFFAOYSA-N 419.490 4.633 0 40 HJAB Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@H](C)[C@H](O)c2ccccc2)c(C)c1 98044662 ZPERKXJNXPLVAC-QPPBQGQZSA-N 423.578 4.925 0 40 HJAB CCOc1cc(C[C@H]2C(=O)N(CC)c3ccccc32)c(Br)cc1OC 101013873 NSNHFDLJQCGXFD-OAHLLOKOSA-N 404.304 4.549 0 40 HJAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1 108009495 OXQZNFMASGRFBZ-UHFFFAOYSA-N 420.509 4.950 0 40 HJAB CC(C)c1ccccc1OCCNS(=O)(=O)Cc1c(Cl)cccc1Cl 223779406 JACIOMFSNMTXIR-UHFFFAOYSA-N 402.343 4.615 0 40 HJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc(OC)c(C)c1 224141836 WWAKUCGHWXRCEK-KDOFPFPSSA-N 406.320 4.801 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1ccccc1 224147087 RUJJBVAOEWOIAB-QHCPKHFHSA-N 422.550 4.701 0 40 HJAB Cc1ccccc1CN(C(=O)CCc1ccccc1)[C@H](C)C(=O)NC1CCCCC1 224680205 WTXLGHBUQFZSDU-OAQYLSRUSA-N 406.570 4.794 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225011788 DYDGIQPAKJTFHP-HOTGVXAUSA-N 421.368 4.868 0 40 HJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccc(OC)cc1 225078669 CHTFLOHQCXHCHQ-LEYFIJQKSA-N 418.493 4.635 0 40 HJAB Cc1ccc(C)c(N(Cc2ccc(C(=O)N(C)c3ccccc3)cc2)S(C)(=O)=O)c1 225512856 QXEPOYJCYWGQBE-UHFFFAOYSA-N 422.550 4.546 0 40 HJAB Cc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CCN(C(=O)C(C)C)CC2)c1 257215299 CPMOLJGIYHDAQK-UHFFFAOYSA-N 420.597 4.994 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2C)c(C)c1 408596500 QESRDGNSXSZBMH-UHFFFAOYSA-N 424.570 4.667 0 40 HJAB COc1ccc(C)cc1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408676463 OGBRAFHTVRPBJB-UHFFFAOYSA-N 402.425 4.884 0 40 HJAB CCCCCCC1=NN(C(=O)COc2ccc(Cl)c(C)c2)[C@@](O)(C(F)(F)F)C1 408957673 VLIXYDRAWORKIN-SFHVURJKSA-N 420.859 4.837 0 40 HJAB O=C1N/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1Cc1ccccc1F 409066405 OQBZHNHKDYPNFK-LPYMAVHISA-N 420.415 4.637 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3)C2=O)cc1Cl 409178387 HBOMGAGVPSZYSJ-LZYBPNLTSA-N 421.305 4.977 0 40 HJAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 409243419 WHOBKNJKSNEXPV-VCHYOVAHSA-N 405.281 4.875 0 40 HJAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1C 931854 QHEOJLISBGPKJI-UHFFFAOYSA-N 423.582 4.947 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CCCC2 974025 LZHLAWVBGVXZNK-UHFFFAOYSA-N 408.317 4.818 0 40 HJAB COc1ccc(C(=O)[C@H](OC(=O)c2cc3ccccc3oc2=O)c2ccccc2)cc1 1099281 HUCNDSLMRGOTPC-HSZRJFAPSA-N 414.413 4.583 0 40 HJAB biogenic COc1ccc(CCNC(=O)C[C@@H](c2ccccc2)c2cc(C)ccc2O)cc1OC 2093647 QMCCDCLMXCRIPB-NRFANRHFSA-N 419.521 4.599 0 40 HJAB biogenic Cc1ccc(Cn2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1 2257564 ZBONKDQRGMLYJA-UHFFFAOYSA-N 402.498 4.726 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(F)c2)N1c1nccs1 2393380 LQNHLGQNIIUEHW-MRXNPFEDSA-N 412.829 4.792 0 40 HJAB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)ccc1OCC(C)C 2632885 OSDHBFGRROQHAS-LDADJPATSA-N 401.466 4.824 0 40 HJAB O=C(COc1ccc(F)cc1Br)Nc1ccc(OC(F)(F)F)cc1 2647557 SERXOGKSCHUUCH-UHFFFAOYSA-N 408.145 4.504 0 40 HJAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nccn2-c2ccc(C)cc2C)cc1 4894607 UAXWSYKWNLSACU-INIZCTEOSA-N 408.527 4.567 0 40 HJAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c(C)c1 4910796 LLNIAQNXQKGBRI-LJQANCHMSA-N 405.542 4.847 0 40 HJAB COCC(=O)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2nc1Cl 5008036 FDJWQUADXCCGPE-UHFFFAOYSA-N 412.917 4.689 0 40 HJAB C[C@H]1CCCN(C(=O)C2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)C1 5045766 NCLXKUMCUJYMSE-NRFANRHFSA-N 406.570 4.736 0 40 HJAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(C)cc2)cc1 5375213 IESRRCZTPZTIOZ-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB CC[C@@H](C)c1ccc(-n2c(S[C@@H](C)C(N)=O)nc3ccc(Cl)cc3c2=O)cc1 5449929 WIZRBGDVFXKBQS-OLZOCXBDSA-N 415.946 4.519 0 40 HJAB Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1F 6223872 UGJXYMXNSXDWCU-UHFFFAOYSA-N 411.289 4.659 0 40 HJAB O=C1N/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1c1ccccc1 6399556 ZUHPCYKFMLVSCZ-HYARGMPZSA-N 411.436 4.926 0 40 HJAB O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccc(Cl)cc1C(F)(F)F 6932565 UYHORRQCSBVKCV-UHFFFAOYSA-N 403.809 4.705 0 40 HJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)/C=C/c1ccccc1 7939908 KZUUJNVCGJUGJR-BQYQJAHWSA-N 408.679 4.606 0 40 HJAB COc1ccc(NC(=O)CNc2ccccc2CN(C)C2CCCCC2)cc1OC 7977055 PRSHMBMTFIRXCR-UHFFFAOYSA-N 411.546 4.519 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)COc1ccc(Cl)cc1Cl 8009502 JTMSQDJTTPLYJP-UHFFFAOYSA-N 418.324 4.833 0 40 HJAB COCc1c(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)oc2ccccc12 8345320 YBXQSTSRPQLUSF-UHFFFAOYSA-N 407.466 4.893 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4S(C)(=O)=O)cc3)sc2c1 8583896 ATDAKHJCXIFLOS-UHFFFAOYSA-N 422.531 4.928 0 40 HJAB CC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)cc1 8874711 SUIVOGSVPYPPIN-NEAWWFDSSA-N 415.489 4.515 0 40 HJAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N1c2ccccc2C[C@H]1C 8965967 ZXFROJWNSCFNSS-CABCVRRESA-N 424.595 4.724 0 40 HJAB COc1ccc(Cl)cc1NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 9549513 GEWULQVLRZJQNE-INIZCTEOSA-N 415.902 4.793 0 40 HJAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)c1 10325150 VIAKGCCSOSGARF-GOSISDBHSA-N 420.534 4.696 0 40 HJAB Cc1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1NS(C)(=O)=O 10328132 CNUCTKADTNOAGK-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB C[C@@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)Nc1ncccn1 11329257 MIKUHBGBBLNIHN-CQSZACIVSA-N 423.929 4.647 0 40 HJAB CC(=O)N[C@H](CC(=O)N[C@@H](c1ccccc1)c1cccs1)c1ccc(Cl)cc1 12270506 ZWNSVHKBCYVGDS-KNQAVFIVSA-N 412.942 4.875 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1csc(-c2cccc(OC)c2OC)n1 12821659 HKTXVDBDZHAVTK-UHFFFAOYSA-N 404.875 4.742 0 40 HJAB CCc1ccc(-c2noc(C[C@](O)(c3nc4ccccc4s3)C(F)(F)F)n2)cc1 12915445 XFCOPDNHKUPEMS-IBGZPJMESA-N 419.428 4.901 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1Cc1cccnc1 13161572 OYHPQNAAFIWMME-FQEVSTJZSA-N 402.837 4.587 0 40 HJAB COc1ccc2nc(-n3nc(C)c4c3NC(=O)CS[C@@H]4c3ccccc3)sc2c1 15084867 YHUBHIDBPRCPAX-LJQANCHMSA-N 422.535 4.574 0 40 HJAB COC(=O)c1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)c(OC)c4)csc32)cc1 15107648 LZYOUCIISOWJEO-INIZCTEOSA-N 423.490 4.693 0 40 HJAB COc1cc(CN(C)C(=O)c2cn3ccc(C)cc3n2)ccc1OCc1ccccc1 18134722 IZTPWLCXJLAWAL-UHFFFAOYSA-N 415.493 4.503 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)C[C@@H]3C=CCC3)C1)N2 19083994 HAQMRQRPPZVMPP-VSZNYVQBSA-N 420.548 4.766 0 40 HJAB O=C(c1ccccc1F)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 19347455 DGICKMCFNGQZPQ-UHFFFAOYSA-N 402.473 4.575 0 40 HJAB O=C(c1ccncc1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373252 AUFCOQVCPHMDAK-QFIPXVFZSA-N 422.492 4.655 0 40 HJAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CC=CCC2)C1 19579778 AXQXHRWIKKCLFU-OFVILXPXSA-N 422.594 4.621 0 40 HJAB Cc1cc2oc(=O)cc(CN(C)Cc3c(C)nn(-c4ccccc4)c3C)c2cc1C 20813215 BTAIDHHJILVUCI-UHFFFAOYSA-N 401.510 4.844 0 40 HJAB Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCC[C@H](C)C2)cc1 22852360 YVOANIYRTYKMGW-YJBOKZPZSA-N 408.527 4.886 0 40 HJAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc(Br)ccc1Cl 22864892 MWZRXDGNZCQCFX-UHFFFAOYSA-N 407.695 4.591 0 40 HJAB Cc1ccc2cc(COC(=O)C3CCN(C(=O)C(C)(C)C)CC3)c(Cl)nc2c1C 23266432 TWLBOMLUJHJBKA-UHFFFAOYSA-N 416.949 4.833 0 40 HJAB O=C(COc1ccc(Oc2ccccn2)cc1)N(Cc1ccco1)Cc1ccco1 30469860 IWFUHHHYZXAFTM-UHFFFAOYSA-N 404.422 4.668 0 40 HJAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)C1 30871763 FNRDRWJYHHWXPD-FGZHOGPDSA-N 419.613 4.737 0 40 HJAB C[C@H](NC(=O)CCCNC(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 31383130 WGYZYBXZXHZSMI-FQEVSTJZSA-N 400.522 4.533 0 40 HJAB O=C(CCc1cnn(-c2ccccc2)c1)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 32808604 YIUFWUZNIYCMNP-UHFFFAOYSA-N 414.436 4.781 0 40 HJAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(F)c(Cl)c1 35684995 FHCAOPFNPGGHGK-INIZCTEOSA-N 416.815 4.962 0 40 HJAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)c(Cl)c2)c(OC)c1 36360579 JCLMOOKHOIKEMV-CQSZACIVSA-N 401.825 4.806 0 40 HJAB Cc1cccc2sc(OC3CCN(C(=O)CSCc4ccccc4)CC3)nc12 49431687 DTJMJLJMVIAMHS-UHFFFAOYSA-N 412.580 4.908 0 40 HJAB Cc1cc(Br)c(S(=O)(=O)NCc2ccccc2Cl)cc1Cl 54363188 CZIOAKIUIAHGFQ-UHFFFAOYSA-N 409.132 4.543 0 40 HJAB CCc1cc(=O)n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(-c2cccc(F)c2)n1 57508324 CQGANBURLLKBQE-UHFFFAOYSA-N 420.271 4.557 0 40 HJAB Cc1c(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)[nH]c2c1C(=O)CCC2 57624915 YOMKATCWTKNFBR-JOABDTNPSA-N 410.517 4.869 0 40 HJAB Cc1ccc(-c2nc(C)c(C(=O)Oc3cccc(-c4ncc(N)cn4)c3)s2)c(C)c1 58432846 XPWLFZHCQJQJNZ-UHFFFAOYSA-N 416.506 4.994 0 40 HJAB Fc1cc(F)cc(Oc2ccc(CNCc3ccc(CN4CCOCC4)cc3)cc2)c1 65889010 YLXTWPYWLLRIND-UHFFFAOYSA-N 424.491 4.879 0 40 HJAB CC[C@@H](C)n1c(SCC(=O)Nc2c(C)cccc2Cl)nc2cc(C)[nH]c2c1=O 67239158 GOKISJFEUTYBHX-CYBMUJFWSA-N 418.950 4.697 0 40 HJAB Cc1cnc(C(=O)N2CCC[C@H](c3cc(Cc4cccc(Cl)c4)cc(C)n3)C2)cn1 72353951 UNLODSPFNOOLMG-FQEVSTJZSA-N 420.944 4.752 0 40 HJAB Brc1cccc(-c2c[nH]c(CN3CCC(Cc4cccnc4)CC3)n2)c1 95468644 LDOZMIPBMQCPGT-UHFFFAOYSA-N 411.347 4.689 0 40 HJAB COc1ccc([C@@H](C)NCc2cc(Cl)c3c(c2)OCCO3)cc1Br 96971477 PCMWUKQAFAHCAG-LLVKDONJSA-N 412.711 4.733 0 40 HJAB O=C1[C@@H](Nc2ccc(OCc3ccccn3)c(Cl)c2)CCN1c1ccccc1F 97570500 NRFGINWVVYGDLS-IBGZPJMESA-N 411.864 4.671 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 101028631 MUTCSHDRYWFKDV-SDHSZQHLSA-N 420.468 4.891 0 40 HJAB CCCCc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 216245046 WVOFWSLYVKHSAB-UHFFFAOYSA-N 414.571 4.597 0 40 HJAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1O 222661112 HKZAHQXWKJGSJG-JEBQAFNWSA-N 403.935 4.819 0 40 HJAB COc1ccc(-c2ncc(C(=O)Nc3ccc(Br)cc3F)c(C)n2)cc1 223142121 FPSAMFAOBMVFOQ-UHFFFAOYSA-N 416.250 4.615 0 40 HJAB O=C(NCCC1CCCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223927475 KXKVHSITTMGKQZ-UHFFFAOYSA-N 400.544 4.578 0 40 HJAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 224001198 LAWDROYEPLULAX-UHFFFAOYSA-N 408.479 4.624 0 40 HJAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 224391853 GHXUMOPQFCWOSF-FCHUYYIVSA-N 415.497 4.584 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)c1 224732019 UETLZEJUDCSSPQ-LJQANCHMSA-N 410.533 4.543 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224960989 BSNPCXRFGZELOG-QFIPXVFZSA-N 414.977 4.505 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc[nH]2)N1c1ccc(OC2CCCC2)cc1 225361914 MCQHNRCVRMUYDV-YADHBBJMSA-N 404.539 4.908 0 40 HJAB CCn1cc(CN2CCO[C@H](c3cc(Cc4cccc(Cl)c4)cc(C)n3)C2)c(C)n1 257204752 AWEKIQAHRGNFAX-DEOSSOPVSA-N 424.976 4.733 0 40 HJAB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1 408814091 RJKACBKKAXBRCY-YVLHZVERSA-N 403.887 4.902 0 40 HJAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 409002755 PTDWCTRTGKWNPF-QFIPXVFZSA-N 414.461 4.620 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(C)[nH]c4ccccc34)C2=O)c(C)c1 409178359 GUGKWPLQHLNEAO-RGVLZGJSSA-N 419.506 4.768 0 40 HJAB Cc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 409411314 FWAZHYZMPGRPCS-UHFFFAOYSA-N 422.550 4.651 0 40 HJAB Cc1nn(C)c(C)c1CCC(=O)N1CCCCCCCc2ccccc2OCCC1 643583885 FBLPLSJTNXTXOP-UHFFFAOYSA-N 411.590 4.774 0 40 HJAB O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 1623248349 GVZUQLAEHWGPEA-TZIWHRDSSA-N 411.933 4.864 0 40 HJAB Cc1ccc(C(=O)N2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)cc1F 2037912638 SABKLSSCTPLKOH-HSZRJFAPSA-N 419.924 4.841 0 40 HJAB O=C(OCC(Cl)=C(Cl)Cl)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(F)cc1F 706621 RGVBSWONSNTLDM-MNOVXSKESA-N 424.658 4.914 0 40 HJAB CCOc1ccc(NC(=O)c2cccc(OC(=S)NCc3ccccc3)c2)cc1 1051900 PVZHHVFOQOOFMS-UHFFFAOYSA-N 406.507 4.791 0 40 HJAB CC(C)(C)c1ccc(S(=O)(=O)N(C2=NCCCS2)c2ccccc2F)cc1 1327927 DYWRZQOYVCGANL-UHFFFAOYSA-N 406.548 4.811 0 40 HJAB Cc1cc2nc3s/c(=C\c4ccc(-c5ccc(Cl)cc5)o4)c(=O)n3c2cc1C 2188803 WRKPOLUOUTWXFW-JAIQZWGSSA-N 406.894 4.987 0 40 HJAB CCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccccc1 2623923 KHPXPJFMSIKFMB-UHFFFAOYSA-N 420.538 5.000 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1coc2ccccc2c1=O 3230028 PJFJMUAGBILYAF-UHFFFAOYSA-N 419.458 4.951 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 3230681 RJTJNXPFHIKFEU-UHFFFAOYSA-N 418.836 4.810 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)c3nnc(-c4ccccc4)o3)s2)cc1 3258443 BDSRAERUCUHMNJ-UHFFFAOYSA-N 409.496 4.615 0 40 HJAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCCCC2)C(=O)N(C)c1ccccc1 3505237 VRKUZXWYBWARBL-QGZVFWFLSA-N 402.494 4.712 0 40 HJAB CCCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccccc32)cc1 4555223 JJYTZASBZQONBY-MHZLTWQESA-N 413.517 4.955 0 40 HJAB Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc3c(cc12)N1CCC3CC1 4708264 KHCWNHZQDRAUQW-UHFFFAOYSA-N 402.882 4.621 0 40 HJAB C[C@H]1C(c2ccccc2Cl)=NO[C@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1 5394031 NKWFDUAHKZBBCA-OYHNWAKOSA-N 405.885 4.704 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc(-c2ccccc2)cc1 5611052 OSUGRYBVWJOYJP-UHFFFAOYSA-N 405.450 4.515 0 40 HJAB CC(C)OC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CCCC(=O)O 5727282 IJTHMUUCCSXGSN-UHFFFAOYSA-N 409.891 4.827 0 40 HJAB Cc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 5844285 NESDXSISJXMLPH-UHFFFAOYSA-N 407.853 4.675 0 40 HJAB O=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1ccccc1Br 5933170 GUDBITWYZVZJAB-UHFFFAOYSA-N 403.059 4.551 0 40 HJAB Cc1cc(I)cnc1NC(=O)c1ccc(Cl)cc1Cl 6572486 ISVZKQCXYMYLBU-UHFFFAOYSA-N 407.038 4.554 0 40 HJAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@H]2CCSc3ccccc32)cc1 8133085 CVXZSRPQSQAGMS-NRFANRHFSA-N 408.523 4.766 0 40 HJAB CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccccc1Oc1ccccc1 8171010 WXHKSLPZESILAX-UHFFFAOYSA-N 417.509 4.550 0 40 HJAB Cc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1 8550539 KLGZFBNJIAELHF-IBGZPJMESA-N 402.475 4.925 0 40 HJAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 8840628 KFKZTTMYZJDNDA-UHFFFAOYSA-N 420.534 4.529 0 40 HJAB Cc1ccc(C)c(CSc2nc(CC(=O)Nc3ccc4c(c3)OCO4)cs2)c1 8937597 OONKKDUJZYYSOD-UHFFFAOYSA-N 412.536 4.962 0 40 HJAB COc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(Cl)cc3)c3ccccn23)cc1 9316836 MOSMQXBIASXLTK-UHFFFAOYSA-N 419.868 4.667 0 40 HJAB COc1ccc(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@H]3C(F)(F)F)cc1 9410415 BACLCLWSXIOKNZ-HOCLYGCPSA-N 422.432 4.866 0 40 HJAB Cc1ccc2c(Cl)cc(Cl)c(O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)c2n1 9492671 OTJJSTHSYHPXKI-NSHDSACASA-N 419.264 4.985 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 10314838 KFRIGNGQCWOXMC-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB Cc1ccc(Nc2oc3c(c2-c2ccc(Cl)cc2)c(=O)n(C)c(=O)n3C)c(C)c1 11615576 ASASKCLYTYCYIY-UHFFFAOYSA-N 409.873 4.511 0 40 HJAB O=S(=O)(c1ccccc1Br)N(Cc1c(F)cccc1Cl)C1CC1 12977914 XEQMXWXOBVAWRB-UHFFFAOYSA-N 418.715 4.595 0 40 HJAB CCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccco1 13718372 ZTCGHYAVFYQTIA-UHFFFAOYSA-N 414.527 4.892 0 40 HJAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NCCC(C)C 13955543 FGRWFPAXWJTFRQ-XMMPIXPASA-N 403.526 4.574 0 40 HJAB Cc1noc(C)c1COc1ccc(CC(=O)N(Cc2ccccc2F)C2CC2)cc1 14232173 LGUBZOQBRYTHKM-UHFFFAOYSA-N 408.473 4.743 0 40 HJAB Cc1ccc(NC(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)cc1F 17151580 VGMHNXMZNAEZDJ-MQVJKMGUSA-N 423.575 4.618 0 40 HJAB C[C@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1cccc(C(F)(F)F)c1 18086646 VSHHOEHCLSYABE-LBPRGKRZSA-N 410.823 4.977 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(Cc2ccncc2)C1 19449649 YCPRUTBGJVWZLL-VWLOTQADSA-N 419.594 4.770 0 40 HJAB CC(C)Oc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 19450856 YQXYCXVLJBZQTO-ZJSXRUAMSA-N 423.601 4.984 0 40 HJAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3ccncc3C)cc2N1 19520635 NWZVDUYUOMBPCI-FHLIZLRMSA-N 421.467 4.652 0 40 HJAB C[C@H](C(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)CC1)c1ccccc1 19574988 NFQWHTRZMQWNRJ-ZRGWGRIASA-N 420.479 4.700 0 40 HJAB CC(C)C(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(C(F)(F)F)cc1 19694402 SAUKLMKJQQUFIR-SFHVURJKSA-N 420.479 4.938 0 40 HJAB CC[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1 22530012 UPOFCPBIGKRWGD-ZJSXRUAMSA-N 420.534 4.935 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)C(=O)OCc1cc(-c2cc3ccccc3o2)on1 22769080 JRLZMCXQYGFNCY-UHFFFAOYSA-N 400.390 4.804 0 40 HJAB CCc1c(C(=O)c2ccc(CCNC(C)=O)s2)oc2ccc(Br)cc12 28000874 WUNDVSGLFUUPRV-UHFFFAOYSA-N 420.328 4.729 0 40 HJAB Cc1ccc2nc(CNc3ccccc3C(=O)Nc3ccc(Cl)cc3)cc(=O)n2c1 30288558 BIERNOUBULRENY-UHFFFAOYSA-N 418.884 4.521 0 40 HJAB Cc1cccc2c(=O)n(CCC(=O)N(C)[C@@H](C)c3ccc(Cl)cc3Cl)cnc12 31337061 HJYVVKZAELLHHI-AWEZNQCLSA-N 418.324 4.621 0 40 HJAB COc1ccc(/C=C(/C(=O)N(C)Cc2ccc3c(c2)OCO3)c2cccs2)cc1 32907928 RTGYDRDGPFXMIG-XDHOZWIPSA-N 407.491 4.685 0 40 HJAB C[C@@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1cccc(Br)c1 32924578 HAWGZEGDTAOJKN-GFCCVEGCSA-N 420.332 4.761 0 40 HJAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]1Cc2ccccc2S1 36394677 PHDZVXXFNZDJMB-SFHVURJKSA-N 423.365 4.888 0 40 HJAB O=C(/C=C/c1ccccc1OC(F)(F)F)Nc1cccc(NC(=O)NC2CC2)c1 36395185 UUKAQZYCTPSGQS-DHZHZOJOSA-N 405.376 4.521 0 40 HJAB CC(=O)N[C@H](CC(=O)N1CC[C@H](C)Sc2ccccc21)c1ccc(Cl)cc1 36648393 NCSULYKSOLXQIR-KBXCAEBGSA-N 402.947 4.825 0 40 HJAB O=C(NCCSCc1ccccc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 39753419 PEBQPAIGAUYUPS-UHFFFAOYSA-N 420.981 4.741 0 40 HJAB Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)NCCc2ccccc2)[nH]n1 48987303 LTDZNOZKGFZPGQ-UHFFFAOYSA-N 406.486 4.620 0 40 HJAB COc1ccc(NC2=NC(=O)S/C2=C\c2cn[nH]c2-c2ccc(OC)cc2)cc1 71285051 UXHCNUFERYVJKT-WQRHYEAKSA-N 406.467 4.812 0 40 HJAB CC(=O)Nc1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)c1 72349000 UWEFSFWJFQQTIS-JOCHJYFZSA-N 413.521 4.656 0 40 HJAB O=C(COc1ccccc1F)Nc1ccccc1Cc1nc(-c2cccs2)no1 96119736 CAZXUVXNNUKZOC-UHFFFAOYSA-N 409.442 4.546 0 40 HJAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc(OCC(F)(F)F)cc1 98055427 RMPXVPLRNUTRRU-UKTHLTGXSA-N 406.791 4.935 0 40 HJAB CCCc1cc(C(=O)OCC)c(NC(=O)[C@@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)s1 101384567 UURQRNAEFYOBCJ-DTDBQYNISA-N 419.543 4.509 0 40 HJAB COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4C)CC3=Nc3ncnn32)cc1OC 102662139 WAJRZZRHUWXUKC-QMHKHESXSA-N 416.481 4.669 0 40 HJAB COc1ccc([C@H]2CC3=Nc4nonc4N[C@@H](c4cccc(OC)c4)C3=C(O)C2)cc1 102748330 HGECIMUPRWYNOT-BTYIYWSLSA-N 418.453 4.716 0 40 HJAB Cc1ccc(CN2C(=O)S/C(=C\c3cc(Br)ccc3O)C2=O)cc1 106703541 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CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cccs3)N2C1=O 5065981 ZJLFXPOCNWXOIW-YJBOKZPZSA-N 412.536 4.530 0 40 HJAB COc1ccc2nc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)sc2c1 5115109 RAWDTIHFILWRIW-UHFFFAOYSA-N 405.523 4.667 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2nc3ccccc3o2)C1=O 5628931 SZOSQLMCGZEGRD-KRWDZBQOSA-N 400.887 4.795 0 40 HJAB CCOC(=O)c1sc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c(=O)c2c1C 5695995 HCDSHZRDIYZFGH-BQYQJAHWSA-N 409.294 4.947 0 40 HJAB CCOC(=O)N1CCN(S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1 5709652 RPTKEJPTFYYXQM-UHFFFAOYSA-N 424.607 4.520 0 40 HJAB C[C@H]1CCN(C(=O)CSc2nc(-c3cccs3)n[nH]2)c2ccccc2S1 6035349 GMAZVOBLBNBODF-LBPRGKRZSA-N 402.570 4.543 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c(C)n1Cc1ccccc1 6100341 VJRWIQVZCIKTHA-UHFFFAOYSA-N 404.495 4.573 0 40 HJAB CCCCC1CCC(C(=O)N(Cc2sccc2C)[C@@H]2CCS(=O)(=O)C2)CC1 6810264 RKKOYWFAGMTKPF-CTWPCTMYSA-N 411.633 4.569 0 40 HJAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 6987295 ZHENJEAPJFPWBP-UHFFFAOYSA-N 406.526 4.734 0 40 HJAB 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CC(C)Oc1cccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 9062674 PDNLVCKBVSDTSB-UHFFFAOYSA-N 400.950 4.656 0 40 HJAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccc(Cl)cn1 9647126 CFTUMNAWNJFPQU-SECBINFHSA-N 412.824 4.816 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)c1C 10276873 WQEYANHTYAACLJ-YOEHRIQHSA-N 424.526 4.547 0 40 HJAB COc1ccc2oc(-c3csc(NC(=O)c4cc5ccccc5oc4=O)n3)cc2c1 10882763 PBKGYKJNPDOOAO-UHFFFAOYSA-N 418.430 4.924 0 40 HJAB COc1cc(-c2nc(C(=O)Nc3ccc4[nH]ccc4c3)c(C)s2)cc(OC)c1OC 11691871 ZCQCSUYUWKLZCE-UHFFFAOYSA-N 423.494 4.878 0 40 HJAB Cc1oc(-c2ccccc2)nc1COC(=O)Cn1c(C(F)(F)F)nc2ccccc21 12475479 ZRNWZIUEPZFCQM-UHFFFAOYSA-N 415.371 4.762 0 40 HJAB O=C(Nc1cccc(Br)c1)c1cccc(OCc2cn3ccccc3n2)c1 12559724 WAODLBCQDVOYAD-UHFFFAOYSA-N 422.282 4.928 0 40 HJAB COc1ccc(-c2nn(CN3CCc4sccc4C3)c(=S)n2C(C)C)cc1 12773870 XGFKHYAUPSOUHJ-UHFFFAOYSA-N 400.573 4.748 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3Cl)C2)c2ccccc12 12978030 IGTYFLQBDIEDOB-INIZCTEOSA-N 422.912 4.993 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4.771 0 40 HJAB COc1ccc(-c2noc(-c3cccc(NC(=O)COc4ccccc4C)c3)n2)cc1 21792298 QLZRUGBAJXKDSD-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB CCOc1cc(NC(=O)c2ccc(C)nc2)c(OCC)cc1NC(=O)c1ccccc1 22414838 ROAFDKUJWAGXAI-UHFFFAOYSA-N 419.481 4.692 0 40 HJAB COc1cc(CCNC(=O)CSCc2cccc(Cl)c2)ccc1OC(F)F 23953098 IUSSAPUWXVGMPG-UHFFFAOYSA-N 415.889 4.542 0 40 HJAB COc1cccc(Nc2nc(Nc3ccc(C)c(Cl)c3)nc(N3CCCC3)n2)c1 27643254 XGNMCNABWRKDGF-UHFFFAOYSA-N 410.909 4.929 0 40 HJAB Cc1ccc2c(c1)CCCN2C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 30028917 VSLWTASAYKMYBL-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB Cc1ccccc1NC(=O)COc1ccccc1-c1noc(COc2ccccc2)n1 33325022 VLSSJEZHDFONJO-UHFFFAOYSA-N 415.449 4.642 0 40 HJAB CCOc1ccc(Oc2ccccc2NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 36644577 QKVWNVHGKFGPAW-IBGZPJMESA-N 402.450 4.942 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)N[C@H](C)Cc2ccc(Cl)cc2)no1 40112177 BDABQYDPPXGCAO-CYBMUJFWSA-N 401.919 4.685 0 40 HJAB Cc1nn(-c2ccc(C(=O)Nc3ccc(Oc4cnccn4)cc3)cc2)c(C)c1Cl 40112527 LLUNEDOFXUJISE-UHFFFAOYSA-N 419.872 4.977 0 40 HJAB Cc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccn2)n1 49007128 QUTFMWZZSAOVQH-UHFFFAOYSA-N 405.310 4.885 0 40 HJAB C[C@H](NC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Cl)cc1Cl 58158845 HDJBPCYZFLOARR-LBPRGKRZSA-N 420.296 4.525 0 40 HJAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 63957846 LJPQORGROUGPDQ-UHFFFAOYSA-N 416.522 4.527 0 40 HJAB COc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)c[nH]2)cc1 67898572 NUKDVXDXSRIKMD-FQEVSTJZSA-N 417.431 4.678 0 40 HJAB biogenic,in-vitro O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 72358204 UWQPGVIKRCPKLW-QHCPKHFHSA-N 408.448 4.693 0 40 HJAB Cn1c(CSc2nnc(-c3ccccc3F)n2C2CC2)nnc1-c1ccccc1 84307068 GRPUNJHUPWAHCS-UHFFFAOYSA-N 406.490 4.507 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=S)N[C@H]1C[C@H]3CC[C@H]1C3)CC2 104746415 GPEXRCSPJVLGIB-AEUPAERQSA-N 422.594 4.714 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cccc4ccccc34)n2)cc1 219050025 GRCQLAQWSNKJOR-QGZVFWFLSA-N 401.466 4.624 0 40 HJAB C[C@@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219050732 OCLRHYFWHHJVHS-OAHLLOKOSA-N 421.884 4.969 0 40 HJAB CC[C@H](NC(=O)COc1ccc(I)cc1)c1ccc(C)cc1C 219836333 KZVOEROARKLHKB-SFHVURJKSA-N 423.294 4.554 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 222901782 YQDXTGRFWSJGFH-QFIPXVFZSA-N 412.599 4.543 0 40 HJAB COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C 224200768 BCFSKSIJYJMTQD-XZOQPEGZSA-N 420.582 4.632 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)C)cc1 224631531 AXPNMFCNEFWLQR-GOSISDBHSA-N 400.950 4.523 0 40 HJAB CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1 224899332 GUQDFBULSIWDMP-UHFFFAOYSA-N 420.840 4.532 0 40 HJAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(CN4CCCCC4)cc3)ccc21 225151401 BNGCWMNEVJVQNR-UHFFFAOYSA-N 409.555 4.882 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 225313557 RERDMRXECZVVQB-JKSUJKDBSA-N 421.368 4.868 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 225511995 JMTLZVSKVSOLJV-URXFXBBRSA-N 424.585 4.713 0 40 HJAB COc1cc(C(=O)O)cc(CSC)c1OC(=O)c1ccc(Cl)c(Cl)c1 226288863 WJGQVHYZKRSSLG-UHFFFAOYSA-N 401.267 4.782 0 40 HJAB COc1ccc(OC)c([C@H](O)CN2CCc3sccc3[C@H]2c2cccs2)c1 248148383 UNYKOJHHYVKMAP-UTKZUKDTSA-N 401.553 4.508 0 40 HJAB CCc1nn2c(nnc3c(=O)n([C@@H]4CCC[C@H](C)[C@H]4C)ccc32)c1-c1ccc(F)cc1 253577567 XFOIZPPUZGPPTA-QMTMVMCOSA-N 419.504 4.805 0 40 HJAB CC(C)C(=O)N1CCC[C@H]2[C@@H]1C[C@@](C)(Cc1ccccc1)N2C(=O)c1ccccc1 257228425 FTUPGHPXAYGCCW-JCYRPKCISA-N 404.554 4.550 0 40 HJAB COc1cccc(OC)c1C(=O)NCCSCc1ccc(Cl)cc1Cl 408575598 OBZUYCLUDJSGKX-UHFFFAOYSA-N 400.327 4.674 0 40 HJAB CCc1ccc(NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 409027218 AELLFMHOXTZFRE-UHFFFAOYSA-N 422.550 4.776 0 40 HJAB COc1cc(CNc2ccc(C)c(Cl)c2)cc(I)c1O 409114438 HONQAAZKRBXJFH-UHFFFAOYSA-N 403.647 4.579 0 40 HJAB C[C@H](NC(=O)c1ccc(CN2CCC(CO)CC2)cc1)c1cccc2ccccc12 511851223 XOZPDSNMPCRAMZ-IBGZPJMESA-N 402.538 4.535 0 40 HJAB Cc1cccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)c1 643570583 KDMKGBSUPOPBQR-UHFFFAOYSA-N 421.537 4.566 0 40 HJAB CC(C)([C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1)N1CCCC1 1538219459 KIQOPKUYESFUJK-NRFANRHFSA-N 406.904 4.893 0 40 HJAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NCc4ccco4)c23)C1 1377271 YIADRZLRZHQEHL-GFCCVEGCSA-N 413.568 4.695 0 40 HJAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1ccco1)c1ccccc1F 1380216 KFZDLZKBPPKCGG-QFIPXVFZSA-N 406.457 4.866 0 40 HJAB COc1ccc(CCNc2ncc3c(n2)C[C@@H](c2ccccc2Cl)CC3=O)cc1 1422714 XXLUTRXIEFBJKG-MRXNPFEDSA-N 407.901 4.706 0 40 HJAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)O[C@H](CC)c2ccco2)cc1 1703584 SOCFYCDQTAQVAV-GOSISDBHSA-N 408.520 4.790 0 40 HJAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 2662722 SEXXBLGYQRNHNT-QFIPXVFZSA-N 411.498 4.508 0 40 HJAB Cc1ccccc1CN1C(=O)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc21 2692509 WAFDVVQVWIQVHL-UHFFFAOYSA-N 412.898 4.984 0 40 HJAB C[C@H](NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1ccccc1 3309176 RPRVANAJEAZIEG-INIZCTEOSA-N 408.571 4.749 0 40 HJAB CCCOc1ccc(C2(CNC(=O)Cc3ccc(OC)c(OC)c3)CCCC2)cc1 4024479 PLZVMRQTFGQDDZ-UHFFFAOYSA-N 411.542 4.663 0 40 HJAB biogenic COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)CCc2ccccc2)c1 4061073 DXQNNXQSCIBPDV-HRNNMHKYSA-N 423.553 4.531 0 40 HJAB biogenic CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 4176551 UCCKEXFSEVWSDE-IBGZPJMESA-N 407.857 4.623 0 40 HJAB O=C1N(Cc2cccc(Cl)c2)c2ccccc2S(=O)(=O)N1Cc1ccccc1 4483543 MJEMYVJNOOJQGI-UHFFFAOYSA-N 412.898 4.671 0 40 HJAB Cc1ccc(OCCSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)cc1 4500384 RAOBZLLFXRHIKC-MRXNPFEDSA-N 400.523 4.509 0 40 HJAB COCCn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(C(F)(F)F)cc1 4679081 ZXFHJMICXYOKDZ-UHFFFAOYSA-N 419.403 4.556 0 40 HJAB CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C4CCCCC4)cc3)oc2c1 4703996 IHGYTIQVMLVXSX-UHFFFAOYSA-N 407.470 4.851 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2ccccc2c1=O 5014333 QGMZMJWDVYERAE-UHFFFAOYSA-N 401.919 4.581 0 40 HJAB Cc1coc2cc3oc(=O)c(CC(=O)NCc4c(F)cccc4Cl)c(C)c3cc12 5307902 AEDNRCYYXFOYRK-UHFFFAOYSA-N 413.832 4.807 0 40 HJAB Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@@H]2c2ccc(C)o2)c(C)c1 5451033 VLAJZHFNNMFZIX-DEOSSOPVSA-N 402.494 4.943 0 40 HJAB O=C(CSc1ccc2c(c1)OCCO2)N[C@@H](Cc1ccccc1)c1ccccc1 6849661 FMQSHGVDRXGMMX-NRFANRHFSA-N 405.519 4.650 0 40 HJAB Nc1cccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 7468374 ODFAWUZGYYNCQV-UHFFFAOYSA-N 410.271 4.536 0 40 HJAB O=C(/C(=C/c1ccc(-c2ccccc2)s1)c1nc2ccccc2[nH]1)N1CCOCC1 7987214 PPGVRYMVRMEDDY-KNTRCKAVSA-N 415.518 4.691 0 40 HJAB COc1ccccc1CCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 8133318 UPQYHQRVEVSHLE-UHFFFAOYSA-N 403.507 4.582 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)c(Cl)c1 8230289 YHZLUVPGZQAGNL-UHFFFAOYSA-N 415.946 4.745 0 40 HJAB Cc1ccc(-c2nn(CC(=O)NC3CCCCC3)c(=S)n2-c2ccccc2)cc1 8412609 ZGXNAKIWKGNBIA-UHFFFAOYSA-N 406.555 4.828 0 40 HJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc(C)cc2)CC1=O 8710276 XPONBWRYXAFAJW-FQEVSTJZSA-N 405.542 4.930 0 40 HJAB CC(C)[C@H](NCC(=O)Nc1cccc2ccccc12)c1ccc2c(c1)OCCCO2 9051314 GWZJHCSVKHKTLY-VWLOTQADSA-N 404.510 4.927 0 40 HJAB CCc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2Cc2ccccc2)cc1 9510585 NONUGCKQFSBNIN-UHFFFAOYSA-N 422.488 4.512 0 40 HJAB C[C@@H]1C[C@@H](Sc2nnc(-c3c[nH]c4ccccc34)n2-c2ccc(Cl)cc2)C(=O)O1 10036500 ZYWNCXVJCDWOPZ-KZULUSFZSA-N 424.913 4.865 0 40 HJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCCC[C@H]2CN2CCCCC2)s1 12238205 DQCKBWXAJGYQHI-FQEVSTJZSA-N 415.578 4.667 0 40 HJAB Cc1cc(I)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1 12352998 QRCYOUGMBFMYSA-UHFFFAOYSA-N 423.294 4.915 0 40 HJAB Cc1ccc(NC(=O)Cc2csc(SCC(=O)c3ccccc3)n2)cc1F 12444160 QOKCFTWNEQRAII-UHFFFAOYSA-N 400.500 4.747 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)Oc1ccc(Br)cc1Br 12531375 LNYSSRAAGKDGSC-GRYCIOLGSA-N 419.157 4.768 0 40 HJAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12656475 QQEHDZXXCDSAFE-RXTKGBSXSA-N 406.950 4.544 0 40 HJAB biogenic O=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)Nc1ccc(Cl)cc1 12878481 PDRBAPHLHQRYER-UHFFFAOYSA-N 418.906 4.981 0 40 HJAB CCOc1cc2c(cc1NC(=O)c1cc(Cl)c(OCC)c(OC)c1)O[C@@H](C)C2 12996217 SHBYHVSPZAEAAB-LBPRGKRZSA-N 405.878 4.722 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2C)c(C)c1 13842434 NZDPEQNKDPZVGY-UHFFFAOYSA-N 424.570 4.865 0 40 HJAB CC[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(C)cc1 14240547 WZESFDKUGHQQNM-LJQANCHMSA-N 405.464 4.893 0 40 HJAB Cc1cc(Cl)c(CC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c(Cl)n1 15195703 DGRJHFOMIQTNJC-UHFFFAOYSA-N 406.235 4.963 0 40 HJAB CCOc1ccc(-c2nc(NC(=O)c3cc(=O)[nH]c4ccccc34)sc2C)cc1 16043409 VBORZHHCUHZTHG-UHFFFAOYSA-N 405.479 4.611 0 40 HJAB CC1CCN(C(=O)CCc2csc(NC(=O)Nc3cccc(Cl)c3)n2)CC1 16849183 UDKGZHFIISQKJR-UHFFFAOYSA-N 406.939 4.632 0 40 HJAB COc1ccc(-c2cc3c(SCC(=O)Nc4cccc(Cl)c4)nccn3n2)cc1 16954720 KFXIFWWYVOECAZ-UHFFFAOYSA-N 424.913 4.789 0 40 HJAB NC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CC2CCCC2)CC1 19700383 ZKQGQKVSUZENNQ-UHFFFAOYSA-N 404.554 4.571 0 40 HJAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1ccccc1OCc1ccccn1 19714434 VQKDWNJHFKPTDR-UHFFFAOYSA-N 424.884 4.657 0 40 HJAB CN(C(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)C1CCCC1 20106101 PGLKMKNQQFWLSM-DEOSSOPVSA-N 408.567 4.518 0 40 HJAB COc1ccc(-c2ccc(CNCCc3ccc(OC)c(OC)c3)o2)cc1Cl 22076924 IASPLXYGQFSDHR-UHFFFAOYSA-N 401.890 4.958 0 40 HJAB CCCC[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1cc(C)on1 22279487 HMJNLEDKIPLVBE-CQSZACIVSA-N 405.911 4.711 0 40 HJAB CC(C)c1ccc(CN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 22776538 CAUSKNMTDJQOOY-UHFFFAOYSA-N 419.491 4.585 0 40 HJAB COc1cccc(NC(=O)N2CCS[C@H]2c2ccc(OC)c(Br)c2)c1 28232301 JWGXFIXFEXLGII-KRWDZBQOSA-N 423.332 4.746 0 40 HJAB COc1cc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c(OC)cc1Cl 30942673 DYGTZIVAVWVKFT-HNNXBMFYSA-N 423.340 4.861 0 40 HJAB COc1ccccc1NC(=O)COc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 32578570 GUTBVXFDRNJLDX-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB Cn1ccnc1Sc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1 32769247 VKOJQVZTVHGUSB-UHFFFAOYSA-N 415.522 4.887 0 40 HJAB COc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1C 33095197 NIGSAJDKXOMBQE-KRWDZBQOSA-N 407.297 4.554 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2C)ccc1C 33708322 ZOTUDWIRJPQBIJ-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1ccc2[nH]c3nc(SCC(=O)Nc4ccc(C(F)(F)F)cc4)nnc3c2c1 35312796 AEWAAYJSGFYADL-UHFFFAOYSA-N 417.416 4.564 0 40 HJAB COCc1nn2c(ncc3c(=O)n([C@@H]4CCCC[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40397116 XUWDEYRBQBFSHM-MGPUTAFESA-N 420.488 4.748 0 40 HJAB CCn1cc(C(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c2ccccc21 48513875 ZFAXHZQQMISICT-UHFFFAOYSA-N 423.563 4.813 0 40 HJAB C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1C(=O)CCn1cncn1 54816866 YFEZFXMLIBZAPQ-YJBOKZPZSA-N 419.916 4.538 0 40 HJAB CC(C)N(C[C@@H](O)COc1cccc2ccccc12)C(=O)Nc1ccc(F)cc1F 58344195 AISUXMUCZWDOCD-GOSISDBHSA-N 414.452 4.800 0 40 HJAB O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(Cl)cc1 67292959 UAUQMNRMMGFZCE-PVCXERSVSA-N 417.292 4.881 0 40 HJAB O=C(Nc1cccc(Cl)c1)N1CCC(Oc2ncccc2Br)CC1 96096994 UVRCWXORLHLAMN-UHFFFAOYSA-N 410.699 4.573 0 40 HJAB O=C(c1cc(-c2cccs2)on1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 96119099 HLRHQHOBKIIQGQ-GFCCVEGCSA-N 412.496 4.534 0 40 HJAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)C1 102162879 RSKUFUAVZRDJBF-MRDQGFSESA-N 419.521 4.895 0 40 HJAB Cc1cccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c2ccccc2)c1 105410664 CWTBTYWSLLAYEG-UHFFFAOYSA-N 416.587 4.521 0 40 HJAB Cc1cnc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)s1 109358112 YNUGXPVHQOSRDG-UHFFFAOYSA-N 401.300 4.539 0 40 HJAB C[C@H](Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCCC1)c1ccccc1 217451439 UWPHHQBXJCQZFF-INIZCTEOSA-N 416.543 4.559 0 40 HJAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223130529 CSPLTPKPIWSTIP-QFIPXVFZSA-N 414.977 4.708 0 40 HJAB C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc2c(c1)CCC2 223205446 FMFAOXHPDJHTBH-LBPRGKRZSA-N 408.723 4.847 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1Cc1ccncc1 223516899 DLAFWCWSRMYRFF-VXKWHMMOSA-N 403.555 4.566 0 40 HJAB Cc1cc(C(=O)NCc2ccc(C(C)C)cc2)ccc1NS(=O)(=O)c1ccccc1 224088106 IFMDXCOWKOBKDA-UHFFFAOYSA-N 422.550 4.849 0 40 HJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 224539267 MZJWCHFQODAZIA-UHFFFAOYSA-N 406.916 4.763 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 225095213 HBSNOJIYFKQSTC-QFIPXVFZSA-N 412.599 4.644 0 40 HJAB COc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(Cl)c(Cl)c3)n2)cc1 225340776 HYMXRBPQLCYNIS-UHFFFAOYSA-N 420.296 4.643 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 225478427 NIVCEFAVBVNVKA-QPPBQGQZSA-N 424.585 4.876 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225676714 MPIAWOZZKIDCGA-OAHLLOKOSA-N 410.857 4.662 0 40 HJAB Cc1ccccc1-c1ccccc1CC1(C(=O)NC(C)C)CCN(C(=O)C(C)C)CC1 257308459 TWTQCEHHMGFFCH-UHFFFAOYSA-N 420.597 4.994 0 40 HJAB COc1cccc(C(=S)N2CCCC2)c1OCc1ccc(Br)cc1 408575853 OQEWARLEZPOBLV-UHFFFAOYSA-N 406.345 4.808 0 40 HJAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 408601432 AXATXMCFXFMWCK-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1 408606848 RIVIOHYPADUOQS-SFHVURJKSA-N 404.919 4.736 0 40 HJAB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)NC1=S 409008240 WZNZUTXPYYGHMC-MFOYZWKCSA-N 407.322 4.650 0 40 HJAB Cc1cccc(-n2c(SCC(=O)N3[C@@H](C)CCC[C@H]3C)nnc2-c2ccncc2)c1 409096246 JXNTZZSJCRUYBQ-HDICACEKSA-N 421.570 4.519 0 40 HJAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 409174733 OJNCHXPJAJDFDS-ZHZULCJRSA-N 424.522 4.849 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 409181032 YZNWZUBVCMSYFK-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB O=C(CSc1ccc(Cl)cc1)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 692597 FGKIGUFZSIQYKO-UHFFFAOYSA-N 422.893 4.871 0 40 HJAB C[C@@H]1CCCN(C(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)C1 901282 ITIATIJEYFMHCY-ZIAGYGMSSA-N 409.477 4.902 0 40 HJAB COc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)cc1 1299577 NILDEGXHUKLHNG-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB O=C(CSc1nnc2ccc3ccccc3n12)Nc1ccccc1C(F)(F)F 1924272 XQHKAKICRIMJCR-UHFFFAOYSA-N 402.401 4.632 0 40 HJAB COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2407232 AEFMEPLTHCOGMG-FQEVSTJZSA-N 421.836 4.793 0 40 HJAB CCCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc2c1=O 2636309 POTUSJJKRDPJFQ-UHFFFAOYSA-N 421.444 4.556 0 40 HJAB CCOCCCn1c(SCc2nc3ccccc3s2)nnc1-c1ccncc1 3261858 QZFCVEVVAAVOLX-UHFFFAOYSA-N 411.556 4.669 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)OC(=O)c4cccnc4)cc3)sc2c1 3303985 DLBKKCXGVMGFJR-HNNXBMFYSA-N 417.490 4.851 0 40 HJAB Cc1cccc(-n2c(SCC(=O)NC(C)C)nnc2-c2ccc(Cl)cc2)c1 3483282 RHVAFMKFJYZOOP-UHFFFAOYSA-N 400.935 4.513 0 40 HJAB CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 3830539 QMBJSIBWORFWQT-XJYXPMMHSA-N 404.934 4.752 0 40 HJAB CCOc1ccc2ccccc2c1C(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O 4032902 GBAXZRLWOSDNNB-UHFFFAOYSA-N 414.505 4.669 0 40 HJAB CCc1cccc(C)c1-n1c(CNC(=O)c2ccc(OC)cc2)nnc1SC(C)C 4059398 VCIMHSHXUBVPDM-UHFFFAOYSA-N 424.570 4.577 0 40 HJAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4174685 HKHQLIVJCSXRRW-IVJCCOBZSA-N 423.553 4.840 0 40 HJAB COc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)N(C(=O)C(C)C)c2ncnn21 4816963 PWHWRKZQKGDSNU-OALUTQOASA-N 410.905 4.664 0 40 HJAB Cc1cc(NC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)no1 5255492 GZEDLUSOZWYAPL-UHFFFAOYSA-N 402.526 4.894 0 40 HJAB Cc1ccc(-c2csc3ncnc(OCC(=O)Nc4cc(F)ccc4F)c23)cc1 6438749 JRFLZCWBBYSONV-UHFFFAOYSA-N 411.433 4.962 0 40 HJAB C=CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)[nH]2)C(=O)O)cc1 7603261 PBAVJSDHMZXYFS-ATVHPVEESA-N 413.886 4.908 0 40 HJAB CCc1cccc(NC(=O)CNc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)c1 7956945 VBIHYUKEKSMPRA-UHFFFAOYSA-N 403.482 4.561 0 40 HJAB O=c1[nH]c(N2CCc3ccccc3C2)nc2c1[C@H](c1ccccc1)C1=C(CCCC1)N2 8017813 BFJDUCMIWMPWPB-JOCHJYFZSA-N 410.521 4.718 0 40 HJAB O=C(CSc1ncnc2ccccc12)Nc1ccccc1C(=O)Nc1ccccc1 8189458 SEAKISWBMIERFM-UHFFFAOYSA-N 414.490 4.613 0 40 HJAB O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1Cc1ccc(Cl)c(Cl)c1 9233336 DXNXIHCQYDUNSP-FRKPEAEDSA-N 408.262 4.959 0 40 HJAB COc1cc2c(cc1NC(=O)CSc1nc(SC)ns1)oc1ccccc12 9410316 BYKJEALGELMANW-UHFFFAOYSA-N 417.537 4.899 0 40 HJAB COc1ccc2oc(-c3csc(NC(=O)c4ccc5c(c4)OCCO5)n3)cc2c1 10882956 MESGDMWKLCPSRN-UHFFFAOYSA-N 408.435 4.588 0 40 HJAB COc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)c1 12342041 YDYUUWBCLULZOU-UHFFFAOYSA-N 419.868 4.667 0 40 HJAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(F)cc1 12389454 RYYZTRDCCIUBJU-UHFFFAOYSA-N 414.502 4.739 0 40 HJAB COc1cccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1OC(F)F 12577098 DYELBXHLLBTHIN-FMQWLBJXSA-N 413.424 4.550 0 40 HJAB C[C@@H]1Oc2ccc(NC(=O)/C=C/c3cc(C(F)(F)F)ccc3Cl)cc2NC1=O 12854917 NTONTSMWWZRLQL-BPQDVTRRSA-N 410.779 4.730 0 40 HJAB Nc1nc(Cl)cc(N2CCC(c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)CC2)n1 13136500 BTZWXBVFYHOQLI-UHFFFAOYSA-N 423.735 4.793 0 40 HJAB CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)c12 16042109 CUKDKMRDLGAYAT-HXUWFJFHSA-N 417.502 4.509 0 40 HJAB biogenic Cc1ccc(OCc2nc(C(=O)NCc3ccc(OC(F)F)cc3)cs2)cc1 16233599 UUZDLCSJFYSKGX-UHFFFAOYSA-N 404.438 4.562 0 40 HJAB COc1cccc(OCCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1 16902461 SEYUOYMAIOZJJP-GOSISDBHSA-N 421.541 4.628 0 40 HJAB CC1=NC2=NC(N3CCC(Cc4ccccc4)CC3)=N[C@H](c3ccccc3)N2C(O)=C1 20028264 DTAWCWFTKKTTCP-QHCPKHFHSA-N 413.525 4.541 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1C 20152128 PLSSIFDOELBJTP-UHFFFAOYSA-N 414.914 4.836 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)COCc1cc(-c2ccc(F)cc2)on1 20344715 LDHUGEUYILWCNF-UHFFFAOYSA-N 404.825 4.606 0 40 HJAB CN(Cc1ccccc1Cl)C(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 24017965 XRLBCWCPBDFLQQ-MHZGPWMTSA-N 414.977 4.506 0 40 HJAB CN(C)[C@H](CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 25330102 NTMUEENSDQYTIM-CQSZACIVSA-N 410.383 4.818 0 40 HJAB O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 27400027 BQWDEHRNIASEES-HXUWFJFHSA-N 423.490 4.777 0 40 HJAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)N4CCc5ccccc5C4)c(C)c3cc12 30819189 AXALLDGRJPIBFB-UHFFFAOYSA-N 415.489 4.982 0 40 HJAB COc1cc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc(OC)c1OC 31545977 IBQZRUHLNUBYNT-UHFFFAOYSA-N 421.497 4.555 0 40 HJAB Cc1cc(Cl)ccc1Oc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 35253758 ZSSABHZIBVKWFO-UHFFFAOYSA-N 421.928 4.794 0 40 HJAB O=C(NCc1ccco1)[C@@H](c1ccco1)N(C(=O)c1cccs1)c1ccc(F)cc1 35315064 VIOMHFWNGUVRSM-HXUWFJFHSA-N 424.453 4.778 0 40 HJAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)NCCc1c[nH]c2ccccc12 36442632 GYVSISZYUAHFOY-QHCPKHFHSA-N 421.591 4.597 0 40 HJAB O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 39767649 RZAHRKAETWKMKZ-UHFFFAOYSA-N 414.490 4.639 0 40 HJAB CC(C)C(=O)Nc1ccc(NC(=O)N(C)Cc2ccccc2Br)cc1 40104015 SLYKGGNDDICBFH-UHFFFAOYSA-N 404.308 4.708 0 40 HJAB O=c1[nH]c(N2CCc3ccccc32)nc2nccc(/C=C/c3cccc(Cl)c3)c12 40388588 GZNXVIYKAOXAPX-CMDGGOBGSA-N 400.869 4.836 0 40 HJAB C[C@H](Sc1ccc(Br)cn1)C(=O)Nc1cccc(Br)c1 48303412 DKNKUOGWXZBNHM-VIFPVBQESA-N 416.138 4.726 0 40 HJAB CCOC(=O)c1c(NCc2ccccc2C(F)(F)F)c2cccc(Cl)c2[nH]c1=O 49001511 HBYXAABHGPANJE-UHFFFAOYSA-N 424.806 4.989 0 40 HJAB C[C@@H](NC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)c1ccccc1 57487313 YPRHHTJHNVGLLN-OAHLLOKOSA-N 406.873 4.736 0 40 HJAB O=C(OCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 58626457 MZMCZNVMTWHMDG-MRXNPFEDSA-N 422.403 4.573 0 40 HJAB CC(C)(C)C(=O)N[C@H](c1nccs1)C1CCN(Cc2ccc3ncccc3c2)CC1 72394579 BLCKKRLKCOLECA-NRFANRHFSA-N 422.598 4.807 0 40 HJAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N[C@](C)(c2ccccc2)C(F)(F)F)cc1 95457263 RSDJUUSLMFAHSC-MGPUTAFESA-N 424.488 4.649 0 40 HJAB Cn1cnc2c(-c3ccccc3)nc(C3CCN(C(=O)c4ccsc4)CC3)cc21 96099934 TYHPTQUTRLMMTP-UHFFFAOYSA-N 402.523 4.717 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(F)c(F)c2F)S1 96117332 FGWCDZCYJMPXTM-QFYYESIMSA-N 411.449 4.610 0 40 HJAB COc1ccc(C2(C(=O)N[C@H]3CCCc4c3[nH]c3ccc(F)cc43)CCOCC2)cc1 96232742 BUHVTJAAWFCPGP-QFIPXVFZSA-N 422.500 4.558 0 40 HJAB CCOc1c(Cl)cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222573483 WWVRPNXBGKDWQG-RZAIGCCYSA-N 403.935 4.732 0 40 HJAB CCc1ccc(OCC(=O)NCc2cc(CC)ccc2CC)c(Br)c1 222978721 ZRRHHHLSHQWALZ-UHFFFAOYSA-N 404.348 4.832 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 223035635 FQKWGKRFGXOZQM-OAHLLOKOSA-N 405.907 4.576 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1NC(=O)C(C)C 223057724 OVGZXMGUICOYEC-UHFFFAOYSA-N 406.573 4.729 0 40 HJAB CCc1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 223415875 ILUORQBTUWEETC-UHFFFAOYSA-N 414.549 4.616 0 40 HJAB O=C(NCCC1CCCCCC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 223969021 KSXUTUSVTSHKIZ-UHFFFAOYSA-N 418.534 4.717 0 40 HJAB Cc1cc(Cl)cnc1NC(=S)NCC1(c2cccc(Cl)c2)CCOCC1 224021388 BQADUVCHPPWVSH-UHFFFAOYSA-N 410.370 4.732 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(CN2CCCC2)cc1 224515922 ZYPXOUBVXNVPOP-QFIPXVFZSA-N 400.950 4.718 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 224664684 LMGUOUDEHNEULX-HSZRJFAPSA-N 424.585 4.570 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 224738910 QQMLNUDBDIOJOB-QFIPXVFZSA-N 414.977 4.771 0 40 HJAB CCOC(=O)c1cc(N(CC)S(=O)(=O)c2ccc3ccccc3c2)ccc1Cl 225066469 HECASTPGZJUPFX-UHFFFAOYSA-N 417.914 4.885 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)[nH]1 225336337 LOEZPMODDABGIC-FCHUYYIVSA-N 406.555 4.991 0 40 HJAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC(C)C)c1 225511991 VRJZFYZGZASHNY-OAQYLSRUSA-N 408.586 4.993 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl 225691149 GHEMGFNKXYMRER-QGZVFWFLSA-N 418.940 4.601 0 40 HJAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4csc(C)c4C)CC3)o2)cn1 257300146 RTCINVPQLAYCRQ-QAQDUYKDSA-N 410.543 4.822 0 40 HJAB CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 260766130 JCASXQISTDQUOH-URZJWIJPSA-N 404.539 4.860 0 40 HJAB CO[C@]1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCC[C@H](C)C1 260814549 KNHXFUCDABLGTH-DCLXLUIPSA-N 402.579 4.721 0 40 HJAB Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(C(C)C)cc1 408627798 PXKPVYYDBBRGBI-UHFFFAOYSA-N 420.534 4.933 0 40 HJAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Br)cc2Cl)CC1=O 408644414 RCTKVXVDRWBIFX-JSGCOSHPSA-N 421.722 4.651 0 40 HJAB O=C1/C(=C\c2ccncc2)N=C(c2ccc(Br)cc2)N1c1ccccc1 408839770 AEOGSTSBUGWVQR-XMHGGMMESA-N 404.267 4.679 0 40 HJAB CCCCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)C1=O 409060914 AEONEIDATYICTQ-UYRXBGFRSA-N 411.479 4.800 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2Cl)cc1C 409410001 KLQLOCFHULAFFF-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3[C@@H](C)c4ccc(F)cc4C[C@H]3C)C2)c1 1544830428 VRDNYCFCYLGGIG-AABGKKOBSA-N 422.544 4.829 0 40 HJAB Cc1ccc2cc(CN(C(=S)NCc3ccco3)C3CCCCC3)c(=O)[nH]c2c1C 931890 XDFSTYUKDZSCAO-UHFFFAOYSA-N 423.582 4.947 0 40 HJAB O=C(Nc1ccccc1Cl)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 1337217 SRPUIOGNINCROR-UHFFFAOYSA-N 416.909 4.957 0 40 HJAB O=C1[C@@H]2CS[C@@H](c3ccc(C(F)(F)F)cc3)N2C(=S)N1c1ccc(F)cc1 1430464 NKINRGOHQGWRQI-HOCLYGCPSA-N 412.433 4.592 0 40 HJAB O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1cccc(Br)c1 1504962 QSVKFIZIGFLJEH-ZROIWOOFSA-N 407.061 4.556 0 40 HJAB CC(C)(C)OC[C@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2560034 SJNATOMDTSYGQF-INIZCTEOSA-N 411.498 4.574 0 40 HJAB O=C(COC(=O)COc1ccc(Cl)cc1Cl)Nc1cc(Cl)cc(Cl)c1 2628118 HIQWOOCGBWSEQH-UHFFFAOYSA-N 423.079 4.861 0 40 HJAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)c(C)c1 3008380 WSTBOEFBUSCTCX-UHFFFAOYSA-N 418.316 4.844 0 40 HJAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2c(C)cccc2C)cc1 3217250 VUFAQYIZQYFRMN-UHFFFAOYSA-N 401.462 4.638 0 40 HJAB CCOC(=O)c1c(NC(=O)CSc2c[nH]c3ccccc23)sc2c1CCC2 3582112 VDWRTTIMCCNXSI-UHFFFAOYSA-N 400.525 4.626 0 40 HJAB O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Cl)s1 4036334 QVZKFARLCPMITB-UHFFFAOYSA-N 407.929 4.874 0 40 HJAB aggregator Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1Br)CSC2 4175957 NWHHQWOELWHQTF-UHFFFAOYSA-N 414.328 4.942 0 40 HJAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1c(C)cccc1C)OCCO3 4849582 XQRLMGBXOKKHKK-UHFFFAOYSA-N 408.523 4.916 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N[C@H]1C[C@H]2CC[C@@H]1C2 4866557 YFDZDDQAGGHRQZ-DBVUQKKJSA-N 416.550 4.603 0 40 HJAB Cc1ccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)cc1C 5136638 BNSISGYMADAIFV-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB CCOc1ccc(/C=C/C(=O)OCc2c(F)c(F)c(F)c(F)c2F)cc1OC 5367413 BLMFFURGIXKDGX-FNORWQNLSA-N 402.315 4.546 0 40 HJAB COc1ccc(NCc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1 6627020 QOQJNEAARORFMU-UHFFFAOYSA-N 420.509 4.950 0 40 HJAB CCc1nnc(S/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)O)o1 7508559 QNAUBPVGVILPBB-BOPFTXTBSA-N 400.431 4.568 0 40 HJAB COc1ccccc1CCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 7989482 DIGHZVQGLAXQII-UHFFFAOYSA-N 411.505 4.580 0 40 HJAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc2noc(-c3ccccc3)c2c1 8074633 JXVMVOHWUIVXGL-OAQYLSRUSA-N 401.466 4.655 0 40 HJAB COc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)Nc2nc(C)cs2)cc1 8664809 MBWNKYIMIUODQH-FLFQWRMESA-N 421.478 4.700 0 40 HJAB Cc1ccc(C)c(Nc2nc(-c3cc(C)n([C@H]4CCS(=O)(=O)C4)c3C)cs2)c1 8780109 AMZKBCMLABEDTL-KRWDZBQOSA-N 415.584 4.948 0 40 HJAB CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1ccc(C)cc1C 9646477 GSPOPZJZAOITOJ-UHFFFAOYSA-N 407.488 4.635 0 40 HJAB O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc(Cl)cc1 12329855 JPDYXERKSBHLFN-DHIUTWEWSA-N 423.940 4.877 0 40 HJAB C[C@@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(Cl)cc1Cl 12734370 IGLKUUKSRYDOHC-CQSZACIVSA-N 420.340 4.658 0 40 HJAB C[C@@H](Sc1nnc([C@@H](C)Oc2ccccc2F)o1)C(=O)N(C)C1CCCCC1 12997650 VKOJWUTWUZIXFK-ZIAGYGMSSA-N 407.511 4.620 0 40 HJAB CCCCc1ccc(NC(=O)[C@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 13716659 NUDWVYICVOEMOF-QFIPXVFZSA-N 416.587 4.829 0 40 HJAB O=C(COc1ccc2ccccc2c1)Nc1ccccc1C(=O)NCc1ccccc1 13991531 MYPDAUSJZDANGE-UHFFFAOYSA-N 410.473 4.787 0 40 HJAB C[C@]1(C2CCCCC2)NC(=O)N(CN2CCc3sccc3[C@@H]2c2ccccc2)C1=O 14241322 WZOZTIZXYCRVAW-XUZZJYLKSA-N 423.582 4.544 0 40 HJAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 20152696 DOFUIQPIEOQQEO-UHFFFAOYSA-N 424.522 4.663 0 40 HJAB COc1ccc(Cl)cc1Nc1nc(CN2CCOCC2)nc2sc(C)c(C)c12 23409359 SJTKHYMGDOYESS-UHFFFAOYSA-N 418.950 4.546 0 40 HJAB CC(=O)c1ccccc1OCC[S@](=O)Cc1coc(-c2ccc(Cl)cc2)n1 24830331 PXFPUYGNTFSKAR-HHHXNRCGSA-N 403.887 4.525 0 40 HJAB COc1ccccc1C(=O)N[C@@H](C(=O)Nc1cccc(-c2csc(C)n2)c1)C(C)C 24976867 WBTLWGHMBFGLHC-OAQYLSRUSA-N 423.538 4.520 0 40 HJAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 29268221 SZLSERMVVOELNL-UHFFFAOYSA-N 409.489 4.814 0 40 HJAB CCCc1noc([C@H](C)Sc2nc3sc(-c4ccccc4)cc3c(=O)n2C)n1 31697145 QRLYLKLHSJXPKO-LBPRGKRZSA-N 412.540 4.851 0 40 HJAB O=C(Nc1ccccc1OCC(F)(F)F)c1nn(-c2ccccc2F)c2c1CCC2 32157679 VJBSPGKCHCUFIG-UHFFFAOYSA-N 419.378 4.694 0 40 HJAB CCOc1ccc([C@@H](NC(=O)CCCNC(=O)c2ccsc2)c2ccccc2)cc1 32914823 BIPXHCDGAWEIEH-QHCPKHFHSA-N 422.550 4.563 0 40 HJAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc3ccccc23)cc1 33560639 JWUSOVBZNZTJLZ-UHFFFAOYSA-N 416.502 4.917 0 40 HJAB O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)NCc1cccs1 35289696 ASEXJRFBHPATSG-UHFFFAOYSA-N 411.527 4.694 0 40 HJAB Cc1nc(Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)cc(-n2cccn2)n1 38488255 HWCOVNGXMWUZFS-UHFFFAOYSA-N 418.888 4.549 0 40 HJAB CC(C)[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1cccs1 40145171 YYTBRXHQBSTPIX-GOSISDBHSA-N 420.581 4.738 0 40 HJAB COc1ccc2cc(-c3cc(C(=O)NCc4c[nH]cn4)c4ccccc4n3)ccc2c1 72311447 XBWSDAZEMIDCKT-UHFFFAOYSA-N 408.461 4.717 0 40 HJAB c1ccc(CNc2nc(N3CCN(Cc4ccccc4)CC3)nc3ccccc23)cc1 90506803 AVLXXJCJVHLDEQ-UHFFFAOYSA-N 409.537 4.564 0 40 HJAB CC[C@@H](CSC)N(C)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 95459615 AFPAGXCJVHXGMC-AWEZNQCLSA-N 423.932 4.570 0 40 HJAB O=C(CCc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 96103623 LWAGDDSNRMJBSF-UHFFFAOYSA-N 408.498 4.657 0 40 HJAB Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1ccccc1 101093053 GYMNKLBWYBVUMP-BDTNDASRSA-N 418.880 4.700 0 40 HJAB COc1ccc(CC(=O)Nc2c(NCc3ccccc3)c3ccccc3oc2=O)cc1 101094615 AGSQBNZKHSJOCP-UHFFFAOYSA-N 414.461 4.595 0 40 HJAB CC(C)n1[nH]cc/c1=N\C(=O)c1cccnc1Sc1cccc(C(F)(F)F)c1 101902382 QBGBNSHNVMMXAM-PCLIKHOPSA-N 406.433 4.703 0 40 HJAB Cc1cccc(C)c1NC(=O)CCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 138772258 JFWFZEYCQKWULY-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB O=C(Nc1ccccc1-c1cn2ccsc2n1)C1(c2ccccc2)CCOCC1 206893560 XYBLXMRIMKTCOA-UHFFFAOYSA-N 403.507 4.750 0 40 HJAB O=C(CCc1ccc2c(c1)OCO2)NCCSCc1ccc(Cl)cc1Cl 222649007 LYNIDRJAVAZNFR-UHFFFAOYSA-N 412.338 4.704 0 40 HJAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)nc1 223086216 SGRADRCXJIEKHW-XZOQPEGZSA-N 417.582 4.881 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 223297863 GWMHFXUGHRVJBY-QHCPKHFHSA-N 408.586 4.958 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1C[C@@H]1CCCO1 223326909 CKRFROWZZMQYFA-KSEOMHKRSA-N 410.587 4.540 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C)cc1 223657288 KKKXRRKINNCZKK-HSZRJFAPSA-N 424.585 4.658 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCCCCC3)c2)c1 223951166 FBHGDIHWZOHUBI-UHFFFAOYSA-N 400.544 4.639 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccccc1 224365173 URVYOGDYTIIVHW-UHFFFAOYSA-N 404.466 4.875 0 40 HJAB Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(I)c1 225034314 SKRKQUPJELSIKE-UHFFFAOYSA-N 419.184 4.548 0 40 HJAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 225036016 GQLFFAPWKSMQEU-DHIUTWEWSA-N 419.598 4.939 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 225051308 FBSIHEBYMVFUGK-MSOLQXFVSA-N 400.950 4.523 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 225091464 GJTLJGDYSDPZGQ-ROUUACIJSA-N 400.950 4.523 0 40 HJAB COc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)c2cccnc12 225289180 GMXWKECHJFMHLC-UHFFFAOYSA-N 403.960 4.976 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 225334367 JSOKLMQUDFYCTO-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB Brc1ccccc1CNc1ncncc1-c1nc(-c2cccs2)no1 225579034 VCORMKYDKSEJFQ-UHFFFAOYSA-N 414.288 4.630 0 40 HJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)c1ccc(OC)cc1 225629052 FATNHNTZZFJRMI-NRPPHEFGSA-N 418.493 4.635 0 40 HJAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(Br)cc1F 225740620 SSBNBCMZLYZFPT-CYBMUJFWSA-N 422.367 4.716 0 40 HJAB COc1ccc(C2(NC(=S)Nc3ccc(N4CCCC4=O)cc3)CCCC2)cc1 225865231 XJYGGAKBUXBZBE-UHFFFAOYSA-N 409.555 4.578 0 40 HJAB COc1cc(C(F)(F)F)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 225984076 WDTGZLJUYGTDEY-UHFFFAOYSA-N 424.492 4.693 0 40 HJAB O=C(O)c1cccc(CN2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)c1 257272056 NAXFMLKTGAAMFB-LJQANCHMSA-N 410.901 4.997 0 40 HJAB CCCCc1ccc(N(CCCC(=O)NC[C@H](CC)CCCC)S(C)(=O)=O)cc1 260842557 CBIFLZXTJSEEDA-HXUWFJFHSA-N 424.651 4.908 0 40 HJAB CCOc1cc(C(=O)Nc2cc(OC)ccc2OC)ccc1OCc1ccccc1 408556274 JJPRLPPKEAZAEN-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB Cc1cccc(OCc2nn(CC(=O)Nc3cccc(Cl)c3C)c(=S)o2)c1 409164224 FFGHLWTWDBSGTH-UHFFFAOYSA-N 403.891 4.694 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2ccc(F)c(Br)c2)C1=O)c1ccccc1 409219281 KUKGFILTODSTOG-CXUHLZMHSA-N 420.259 4.507 0 40 HJAB Fc1ccc(CN2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1C(F)(F)F 519564268 CCHLYVMQSDPSPW-KRWDZBQOSA-N 413.415 4.849 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c1 853626 ADEOFOQADRVSHD-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB COC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2cccc(C)c2)c1C 871951 ARFQYYUBECJCKM-UHFFFAOYSA-N 408.479 4.656 0 40 HJAB O=C(/C=C/c1ccco1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 1255833 ROMCSTIDQGOHRG-VQHVLOKHSA-N 423.460 4.815 0 40 HJAB Cc1cc(=O)oc2cc(OCCCCOc3ccc4c(C)cc(=O)oc4c3)ccc12 2097374 XSFWAVOPRGUHCE-UHFFFAOYSA-N 406.434 4.754 0 40 HJAB biogenic CCc1nnc(NC(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)s1 2617715 YCYYCVFZIOXIPF-UHFFFAOYSA-N 403.891 4.594 0 40 HJAB O=C(CSc1nnc(-c2cccs2)o1)Nc1nc(-c2ccccc2)cs1 2720358 OMZSYHAFRBBLDL-UHFFFAOYSA-N 400.510 4.652 0 40 HJAB Cc1cc(C)n(Cc2ccc(-c3nc4c5c6c(sc5ncn4n3)C[C@@H](C)CC6)o2)n1 2789723 RIBDCIODNFLISV-LBPRGKRZSA-N 418.526 4.585 0 40 HJAB COc1cc(NC(=O)c2ccccc2)c(Cl)cc1NC(=O)COc1cccc(C)c1 3162576 JUOIFUCRXKRZHB-UHFFFAOYSA-N 424.884 4.927 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccccc1F 3239993 XAFRQLJDSZLWDO-UHFFFAOYSA-N 410.499 4.866 0 40 HJAB O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc2c(c1)CCC2 3313426 YTWKGXVIXUEERG-UHFFFAOYSA-N 400.504 4.640 0 40 HJAB O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 3355349 MQABBCPPDANCSK-UHFFFAOYSA-N 406.913 4.881 0 40 HJAB COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccc(C)o3)c3c([nH]c4ccccc34)[C@H]21 4088907 ASWRFPZKDMGSKF-HJPURHCSSA-N 414.461 4.777 0 40 HJAB biogenic C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)c1cc2ccccc2cc1O 4402076 UPORYCGNUBKZFU-DHRITJCHSA-N 409.873 4.642 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-n2cccc2)cc1C 4518676 YDLBEONRADPTDR-UHFFFAOYSA-N 409.559 4.786 0 40 HJAB COc1ccc(Br)c(-c2nnc(-c3ccccc3NC(=O)C3CC3)o2)c1 4722497 YWNKOQPPZSQNSX-UHFFFAOYSA-N 414.259 4.523 0 40 HJAB COc1cccc(NC(=S)N2CCC[C@H](c3nc4cc(Cl)ccc4[nH]3)C2)c1 4858959 SDDRZYMWTPVADI-ZDUSSCGKSA-N 400.935 4.801 0 40 HJAB CCCOc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2OC)c1 4973346 RVRCCDMCQUDIOK-UHFFFAOYSA-N 403.438 4.940 0 40 HJAB CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 5100293 NNLQGFNTLVLQGC-CQSZACIVSA-N 402.498 4.976 0 40 HJAB COC(CNc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CCC3)OC 5164469 RHAWPSNSEHACDV-UHFFFAOYSA-N 418.588 4.604 0 40 HJAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(OC)c(N2CCCC2=O)c1 5440880 OMLDNTBNNWDNFO-UHFFFAOYSA-N 404.466 4.626 0 40 HJAB CCCCSc1nc2sc3c(c2c2nnc(SCCN(C)C)n12)CCCC3 5533106 BUEQSKZGZNZTFG-UHFFFAOYSA-N 421.661 4.764 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCN1CCC(C)CC1 5753011 SGBBZARIBXNATK-UHFFFAOYSA-N 400.544 4.652 0 40 HJAB CC(C)CC(=O)Nc1ccc(C(=O)CSc2nnc(Cc3ccccc3)o2)cc1 6543959 LJXGBAAOZPULTN-UHFFFAOYSA-N 409.511 4.620 0 40 HJAB COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1Cl 6624581 ROOLVCPUWJJWID-UHFFFAOYSA-N 411.841 4.999 0 40 HJAB biogenic COc1ccc([C@@H](NC(=O)CSc2nc3ccccc3n2C)c2ccccc2)cc1 6972453 OJOUPKPAUHQHIQ-QHCPKHFHSA-N 417.534 4.580 0 40 HJAB CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)Cc1ccsc1 7926934 FGERRKWNYVHKHS-IBGZPJMESA-N 413.930 4.804 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)c1 8058868 ZJCNOTOMZXJKPE-MRXNPFEDSA-N 416.326 4.536 0 40 HJAB CCc1cc2c3c(c1)[C@]1(SCC(=O)N1c1ccc(F)cc1)C(=O)N3C(C)(C)C[C@H]2C 8215655 AXRHNUXSDKLLJH-SHACYNPGSA-N 424.541 4.953 0 40 HJAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N(C)Cc3ccccc3N3CCCC3)c2C)no1 8231047 KPTANSBBVFFEMS-VAWYXSNFSA-N 418.541 4.663 0 40 HJAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc2c(s1)CCCCC2 8303346 ASTNOPFYMASIJH-UHFFFAOYSA-N 410.461 4.747 0 40 HJAB C[C@H](C(=O)N(C)C)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 9226973 OWVKTZCMDYVZJS-CRICUBBOSA-N 423.516 4.857 0 40 HJAB COc1ccc(CCN[C@@H]2C3=C(CCCC3)C(=O)N2[C@H](C)c2ccccc2)cc1OC 9434832 RSMADMFDHHKCIQ-CJAUYULYSA-N 420.553 4.636 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc5c(c4)CCC5)c(=O)c23)s1 9949322 IATVHTWWBDNISB-UHFFFAOYSA-N 421.547 4.622 0 40 HJAB Cc1ccc(N(CCCC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1C 10434361 SOARMIULBOHNON-UHFFFAOYSA-N 402.560 4.612 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(F)c3)C2)c2ccccc12 10492444 XSXXRLDIUSXEBR-OAHLLOKOSA-N 424.447 4.618 0 40 HJAB COc1ccccc1OCC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 10692476 PTTPJFGFKXIRTR-HXUWFJFHSA-N 400.478 4.504 0 40 HJAB Clc1ccc2c(c1)N[C@@]1(COC3(CCN(Cc4ccoc4)CC3)C1)c1cccn1-2 12120913 NFSQVRFJJDQHSA-QHCPKHFHSA-N 409.917 4.800 0 40 HJAB O=C(CCc1cc(Cl)no1)Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1 12390538 HBSPMCYRQRLWSP-UHFFFAOYSA-N 412.804 4.812 0 40 HJAB biogenic O=C(NC1CC1)[C@@H](Sc1nnc(Nc2ccccc2)s1)c1ccc(F)cc1 12476571 XKMJFIABEMUJQY-INIZCTEOSA-N 400.504 4.533 0 40 HJAB CC(C)c1ccc(-c2nnc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3)s2)cc1 12860359 PQUBHVQASQXSDP-IBGZPJMESA-N 420.538 4.572 0 40 HJAB C[C@H]1CCCN(Cc2csc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)C1 12993732 WJGXDBIQFJJFOR-AWEZNQCLSA-N 407.967 4.825 0 40 HJAB Cc1ccc(Cn2cc(/C=c3/sc4nc5ccccc5n4c3=O)c3ccccc32)cc1 13751197 BESQEDZMHWAXKB-ZVHZXABRSA-N 421.525 4.768 0 40 HJAB CC1(C)CC(N(Cc2ccccn2)Cc2cc3c(cc2Cl)OCO3)CC(C)(C)N1 13992632 WGMWBPIUAQQHQH-UHFFFAOYSA-N 415.965 4.775 0 40 HJAB Cc1ccc(-c2csc(=S)n2CC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 14484623 RMSKZEWEFZKYTA-AWEZNQCLSA-N 412.536 4.861 0 40 HJAB Cc1cccc(C)c1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 15391049 VCUXRDWOVCOKNJ-SFHVURJKSA-N 420.962 4.529 0 40 HJAB COc1ccc([C@H]2C(=O)N(c3ccccc3F)CC(=O)N2c2ccc(C)cc2C)cc1 15412258 AQWNZZHTGJWCTR-DEOSSOPVSA-N 418.468 4.572 0 40 HJAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C[C@@H](C)CC(=O)O)c2C(=O)OC)C1 17088319 OCYUETVFUZNGMC-CHWSQXEVSA-N 409.548 4.515 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 21623893 DQVCXTIGXBPCNM-HXUWFJFHSA-N 422.554 4.679 0 40 HJAB Cn1ncc2c(Nc3ccc(F)cc3)nc(N3CCC(Cc4ccccc4)CC3)nc21 21873631 HZTCDSRNWHXODL-UHFFFAOYSA-N 416.504 4.705 0 40 HJAB O=C(Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O)Nc1ccccc1F 23126774 HWLGSFMOCPLHPQ-UHFFFAOYSA-N 413.861 4.556 0 40 HJAB COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCCCC2)cc1 23643480 WCPOKXYOZBHPGH-UHFFFAOYSA-N 416.930 4.720 0 40 HJAB C[C@H](N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1nc2ccccc2c(=O)[nH]1 23908323 BKTBVAMVIJFEDD-YCRPNKLZSA-N 421.447 4.965 0 40 HJAB CCOC(=O)CC1CCN(C(=O)Cn2c(-c3ccccc3)cc3ccccc32)CC1 24745561 FMTAKFRXZDIBDH-UHFFFAOYSA-N 404.510 4.500 0 40 HJAB COc1ccccc1NC(=O)CSc1nnc(SCc2ccccc2)s1 32944933 AVFIWQXJTDDTGG-UHFFFAOYSA-N 403.554 4.570 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSCc1cc(=O)c2ccc(C)c(C)c2[nH]1 33064042 MYYCZERMKRUWBG-UHFFFAOYSA-N 400.931 4.979 0 40 HJAB CN1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 35375639 OTUKDDLHXSNQFC-AYPBNUJASA-N 422.937 4.777 0 40 HJAB COc1cccc(Nc2c(-c3cc(Br)ccc3O)nc3cnccn23)c1 35616150 FANGBILESOSMBR-UHFFFAOYSA-N 411.259 4.617 0 40 HJAB Cn1cc(CC(=O)NCC2CCC(c3nc4ccccc4[nH]3)CC2)c2ccccc21 38671623 YLQSSJUYJZGBMW-UHFFFAOYSA-N 400.526 4.687 0 40 HJAB O=C(c1ccc(CS(=O)(=O)c2ccccc2)cc1)N(Cc1ccccc1F)C1CC1 40131314 ONXLAXVWCWCOFR-UHFFFAOYSA-N 423.509 4.604 0 40 HJAB COc1cc([C@@H]2CC(O)=Nc3c(C(=O)O)cn(-c4cccc(Cl)c4)c32)ccc1O 40268506 YMXQVGYHBCQMIJ-AWEZNQCLSA-N 412.829 4.667 0 40 HJAB COc1ccc(C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2ccccc2F)cc1 40485462 AUFLBOWADWEBQV-HSZRJFAPSA-N 419.452 4.896 0 40 HJAB COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccccc3)c2c1 49421528 ABMCGCAKXBBBFV-UHFFFAOYSA-N 404.491 4.688 0 40 HJAB Cc1sc(NC(=O)c2ccco2)c(CN2CCN(c3ccc(F)cc3)CC2)c1C 54072984 RXOZQHFEQXFBKO-UHFFFAOYSA-N 413.518 4.672 0 40 HJAB CC(C)c1cccc(C(C)C)c1N(CCO)S(=O)(=O)c1ccc2c(c1)CCC2 58135035 OWAYKQRUOXDFIE-UHFFFAOYSA-N 401.572 4.610 0 40 HJAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cnc(C(C)(C)C)nc3)c12 63817814 WFCNNLIJBSMQGM-UHFFFAOYSA-N 406.534 4.712 0 40 HJAB CC(C)(C)c1ccc(C(=O)N2[C@H](C(=O)O)COC23CCC(C(C)(C)C)CC3)cc1 71980474 CQTANHAWAGLBCR-SZTYLXMGSA-N 401.547 4.842 0 40 HJAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1nc(Cl)ccc1Cl 95477793 VDLLUDMQOIEGKI-UHFFFAOYSA-N 401.209 4.778 0 40 HJAB Cc1c(F)cccc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 98072926 FTOWBIUFTHVAII-UHFFFAOYSA-N 412.202 4.716 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N(CCc1cccs1)C1CCOCC1 207962965 CUEYETMDMGFOBL-UHFFFAOYSA-N 407.963 4.809 0 40 HJAB COc1ccc(CCCNC(=O)c2ccccc2CCc2ccccc2)cc1OC 219004910 XLVPQEDNJVUYOM-UHFFFAOYSA-N 403.522 4.852 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 222674547 AWVWGKVPNVEPTR-OAHLLOKOSA-N 421.368 4.868 0 40 HJAB COc1ccc(OC[C@@H](C)NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 222723663 CLHUKSNEAVGTDI-CYBMUJFWSA-N 414.354 4.819 0 40 HJAB CCc1ccc(O[C@@H](CC)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 222883897 VJAOXXFYMKZACO-QFIPXVFZSA-N 400.950 4.717 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 223026364 PWWSGIGJIFXLCH-SFHVURJKSA-N 400.950 4.525 0 40 HJAB CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 223343083 QQEZXHOOGOIEOG-VWLOTQADSA-N 400.522 4.873 0 40 HJAB CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 223343883 PPYCQISTMWBHRG-AREMUKBSSA-N 414.549 4.916 0 40 HJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)c1 224224689 IYYCXVZRURDBMN-XZOQPEGZSA-N 411.534 4.753 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 224438058 RGWITULVMIHYCQ-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1cccc(OC)c1 224589008 BIVHTDBBPYKGEA-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 224763812 MIIQISVWWZRGSW-HSZRJFAPSA-N 412.549 4.565 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)c1 225175771 GXNJXCACKNHLBH-HXUWFJFHSA-N 424.560 4.851 0 40 HJAB Cc1cc(C)n(-c2ccc(CCC(=O)NCc3ccc(OC(F)(F)F)cc3)cc2)n1 225605149 IEVSIMGGPQXGGQ-UHFFFAOYSA-N 417.431 4.637 0 40 HJAB CCO[C@@]1(C(=O)Nc2ccc(OCCN3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225715171 GWWAIPLRLWPOJE-REHUZNOOSA-N 402.579 4.721 0 40 HJAB Cc1nc(C)c(C(=O)N2C[C@@H]3CCC[C@@](O)(c4cccc(C(F)(F)F)c4)[C@H]3C2)s1 248008732 FJKVFUWBHXVWGN-GZRFBZBPSA-N 424.488 4.539 0 40 HJAB COC1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCC(C)CC1 260816752 PRKKASLBYUFVRH-ITGJCUMNSA-N 402.579 4.864 0 40 HJAB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccccc1F 408818349 NVIBTXVHXQVTAS-SXGWCWSVSA-N 407.850 4.733 0 40 HJAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 409095973 JFVUNWNZWQDATM-UHFFFAOYSA-N 420.460 4.888 0 40 HJAB O=C(NC[C@H]1CCN(C2CC2)C1)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 503290842 XZWYTUAMXDIOIY-QVKFZJNVSA-N 419.352 4.714 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618255660 VDLWIPMPTCGHPW-OAQYLSRUSA-N 424.504 4.582 0 40 HJAB C[C@H](C(=O)Nc1ccc(-c2ccccc2F)nn1)c1ccc(Br)cc1 1539916109 WAOMPSYGWICRNX-LBPRGKRZSA-N 400.251 4.787 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2C)cc1 682081 NMHOOPZBMVVKGT-UHFFFAOYSA-N 424.570 4.613 0 40 HJAB CC(C)OC(=O)CSc1nnc2c3c4c(sc3nc(C(C)C)n12)C[C@@H](C)CC4 1376524 YQAGXLAENBTHGC-LBPRGKRZSA-N 418.588 4.631 0 40 HJAB CCCCn1c(O)c(C(=O)Nc2ccc(Br)cc2)c(=O)c2ccccc21 2275040 MHBFIWOOQIYBLJ-UHFFFAOYSA-N 415.287 4.522 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)NCCc3ccc(Cl)cc3)s2)cc1 2658297 NZVGJEBBXIEDQW-UHFFFAOYSA-N 418.975 4.695 0 40 HJAB Cn1nc(C(F)(F)F)cc1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 2761828 JARLYYQHXDXEOT-UHFFFAOYSA-N 402.401 4.968 0 40 HJAB Fc1ccc(NC(=S)NC2CCC(NC(=S)Nc3ccc(F)cc3)CC2)cc1 3252414 AUBHJWCBYXVNRC-UHFFFAOYSA-N 420.554 4.549 0 40 HJAB O=C1C[C@H](O)C[C@@H](/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)O1 3788133 XJVKVAFYQRWVAJ-MCBHFWOFSA-N 403.453 4.998 0 40 HJAB in-vitro Cc1nn(Cc2ccc(Cl)cc2)c(=O)n1-c1ccc(OCc2ccccc2)cc1 4072928 KUXKUXXJPIZWIB-UHFFFAOYSA-N 405.885 4.623 0 40 HJAB C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)c1ccccc1 4084811 SMBBHPVLMHSHPM-KXXXHFJOSA-N 421.500 4.515 0 40 HJAB biogenic C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nccc(-c2ccc(Br)cc2)n1 4967965 QLSKDIQMEBYKLB-ZIAGYGMSSA-N 420.376 4.788 0 40 HJAB Clc1cccc(-c2nnc3n2N=C(c2cccc(Br)c2)CS3)c1 5119223 XUYUZBUXACMZEB-UHFFFAOYSA-N 405.708 4.719 0 40 HJAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCC(Cc2ccccc2)CC1 5416013 CILDCUUAVSNLSN-UHFFFAOYSA-N 423.528 4.662 0 40 HJAB CC[C@@H](NC(=O)CSc1nc2ccccc2o1)c1ccc(Br)cc1 6510119 ISYFOKISQKEAAH-CQSZACIVSA-N 405.317 4.950 0 40 HJAB Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)Nc3cc(C)ccc3C)c2)c1 6681237 BORPSSYGRMPDEV-UHFFFAOYSA-N 414.552 4.751 0 40 HJAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc(Cl)cc1F 6788657 YQBZBJZYVJDWSB-UHFFFAOYSA-N 408.911 4.674 0 40 HJAB Cc1cccc(NC(=O)COC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1C 6929998 MJHFOXNRZUDWSH-UHFFFAOYSA-N 419.506 4.808 0 40 HJAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(N2CCCC2)cc1 7360319 WUUQCVMETBGYRC-FQEVSTJZSA-N 406.555 4.672 0 40 HJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2nc(-c3ccccn3)cs2)s1 8026014 FAFJRHCSHJDBSE-UHFFFAOYSA-N 410.499 4.957 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnnn2C2CCCC2)c2ccccc2)c1 8074504 FPVLANPHLZDZOR-FQEVSTJZSA-N 407.543 4.877 0 40 HJAB COc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1OC 8276535 TVWGZGIZCKAESV-UHFFFAOYSA-N 414.461 4.956 0 40 HJAB CCCCc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3CC)cc1 8715835 HHSDBDCHFOQTNK-UHFFFAOYSA-N 408.523 4.963 0 40 HJAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 9205233 RXUQDVYHOMOOEG-GOSISDBHSA-N 422.550 4.534 0 40 HJAB O=C(CSc1nc2ccccc2o1)Nc1nnc(SCc2ccccc2)s1 9227632 RPBRGVFXTDXFHN-UHFFFAOYSA-N 414.537 4.702 0 40 HJAB C[C@@H](NC(=O)CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccccc1 9327999 WHYWAMGJEUHDTL-LLVKDONJSA-N 407.326 4.748 0 40 HJAB COc1cc([C@H]2S[C@@H](C)C(=O)N2CCc2ccccc2)cc(OC)c1OC(F)F 9442171 UDBQLGBBBVRTSZ-RNODOKPDSA-N 423.481 4.510 0 40 HJAB Cn1c(-c2c(N)n(Cc3ccc(F)cc3)c3nc4ccccc4nc23)nc2ccccc21 9541004 SATOLFCESMHVAK-UHFFFAOYSA-N 422.467 4.908 0 40 HJAB CC(=O)Nc1ccc(S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)cc1 9951175 UZSJCRGEJDCYBN-IBGZPJMESA-N 416.930 4.612 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10508513 OMOHJWKQZGATMM-UHFFFAOYSA-N 408.889 4.733 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2ccccc2C(F)(F)F)c(Br)c1 10648021 UYBXHWQRELPDRT-UHFFFAOYSA-N 416.193 4.572 0 40 HJAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc(-c2ccccn2)nc2ccccc12 11652512 OYENTDDOSGQXPG-AREMUKBSSA-N 422.532 4.864 0 40 HJAB Cc1cc(C)cc(-n2c(SCC(=O)c3ccccc3)nc3c(c2=O)S[C@@H](C)C3)c1 11726675 ZFVMFVRNZLKBPW-INIZCTEOSA-N 422.575 4.861 0 40 HJAB O=C(CN1[C@H]2CC[C@@H]1CC(O)(c1ccco1)C2)N(C1CCCCC1)C1CCCCC1 12114386 YZLQKHFRTNHDED-OFFJZUQKSA-N 414.590 4.588 0 40 HJAB CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(-c2ccco2)nc2ccccc12 12766282 FFPAQAWMDDNQLY-UHFFFAOYSA-N 413.477 4.768 0 40 HJAB CC(C)N(Cc1ccccc1)C(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O 12806099 ZOUHDMNMVKTUCE-UHFFFAOYSA-N 417.534 4.562 0 40 HJAB CN(Cc1ccco1)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 12853913 KRHJUSPPEHRKFD-VAWYXSNFSA-N 403.507 4.925 0 40 HJAB COc1ccc(-c2noc(CCC(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)n2)cc1 12972960 HBEWGLFKPFAQJB-CYBMUJFWSA-N 419.403 4.574 0 40 HJAB CC(C)C(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc2nccnc2c1 13734727 WENLFXBFGGICOV-HXUWFJFHSA-N 423.314 4.726 0 40 HJAB Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(Cl)c2)nc1 16741302 OJVWKFHMCAAYBJ-HXUWFJFHSA-N 402.837 4.900 0 40 HJAB CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCc2ccc(Cl)cc2Cl)c1 17039547 DIFWGKOQCVSWQH-UHFFFAOYSA-N 418.372 4.744 0 40 HJAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2ccccc2)C1 19529039 ALMPIBFFLZVETJ-VWLOTQADSA-N 418.562 4.626 0 40 HJAB COc1ccc(Oc2cc(N[C@@H](C)C(=O)Nc3cccc(OC)c3)ccc2OC)cc1 22421190 LEZPXJQRSVCXIZ-INIZCTEOSA-N 422.481 4.944 0 40 HJAB COc1cccc(NC(=O)N2CCS[C@@H]2c2ccc(OC)c(Br)c2)c1 28232296 JWGXFIXFEXLGII-QGZVFWFLSA-N 423.332 4.746 0 40 HJAB O=C(CCc1nc(-c2cccs2)no1)Nc1nc(-c2c[nH]c3ccccc23)cs1 29475945 PYNAXKOKSPUPGV-UHFFFAOYSA-N 421.507 4.974 0 40 HJAB CCOc1ccc(NC(=O)COc2cccc(-c3noc(-c4cccs4)n3)c2)cc1 33327450 PYIGRPSPKLPWFM-UHFFFAOYSA-N 421.478 4.881 0 40 HJAB O=c1cc(-c2ccccn2)nc2n(Cc3cccc(C(F)(F)F)c3)c3ccccc3n12 40485125 HXDVSTRZYNWSKF-UHFFFAOYSA-N 420.394 4.778 0 40 HJAB Cc1nc2sc(C(=O)NCCC(c3ccccc3)c3ccccc3)c(C)c2c(=O)[nH]1 79493361 CLPLXDVVVYPOSJ-UHFFFAOYSA-N 417.534 4.553 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(O)[C@H](C)OC(C)=O)C1 83293782 COXXOOWTEWCQRW-PEFWAVJTSA-N 420.590 4.644 0 40 HJAB O=C(c1ccnc(Cl)c1F)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 89884760 FYGREWRNCLGZLH-ZDUSSCGKSA-N 407.631 4.534 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cccnc2O3)cc1 95478512 MVYWNCMSZWLYLT-UHFFFAOYSA-N 403.438 4.503 0 40 HJAB C1CCC2(CC1)O[C@@H]1COC3(CCCCC3)O[C@H]1[C@@H]1OC3(CCCCC3)OC[C@H]1O2 95871207 UGLBBYPNYATVHB-XRXFAXGQSA-N 422.562 4.582 0 40 HJAB O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)C1(c2cccs2)CCCC1 96121665 QGKXTICULKZTCY-UHFFFAOYSA-N 406.555 4.512 0 40 HJAB O=C(C[C@H]1CC2(CCN(C(=O)C3CCCCC3)CC2)Oc2ccccc21)N1CCCC1 96242978 UMEUZABJLPRUQF-NRFANRHFSA-N 424.585 4.507 0 40 HJAB CC1(C)[C@H]2CC[C@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@H]1C4=C[C@H]3[C@H]3C(=C[C@H]31)CCCCCC4)C2 102447007 FYSSUZWVUGQKLY-IEONNDJISA-N 421.585 4.761 0 40 HJAB O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(Br)c1 107426700 GHHBLFXPPHUHLE-UHFFFAOYSA-N 414.630 4.922 0 40 HJAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1 222478784 HYYKLCRKGFRPBM-NRFANRHFSA-N 414.549 4.680 0 40 HJAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)O)c3)o2)S1 222630910 NGJCAHJBVGQSGX-SVIJTADQSA-N 405.479 4.629 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 223254664 CQVNQMRQLDWUAZ-HSZRJFAPSA-N 424.585 4.876 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1 223948385 XYKYCZVYZMWLRB-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 224617784 PUPUPGVSCKWHEM-DEOSSOPVSA-N 424.585 4.570 0 40 HJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1cccc(CN2CCCCC2)c1 224676794 XPNVXICQPIGMOR-HXUWFJFHSA-N 402.538 4.909 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225011232 UBXFJJVYPRKTFA-HOTGVXAUSA-N 421.368 4.868 0 40 HJAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1C 225025637 BNAOLCHFNXBWNH-MIDMBNTASA-N 402.494 4.853 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 225033113 MSMWIQRWAVLIPX-XMMPIXPASA-N 422.569 4.630 0 40 HJAB Cc1ccc(-c2nnc(NC(=O)C3CCN(Cc4ccccc4F)CC3)s2)cc1 225428850 STOZLISWKYLBJR-UHFFFAOYSA-N 410.518 4.503 0 40 HJAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCOCC4)cc3)CCCC2)cc1 225513250 JAVOMATYCRGLFC-UHFFFAOYSA-N 422.569 4.547 0 40 HJAB CCOCc1ccc(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3)CC2)cc1 257199726 AAPSRYNERGNKLI-XGAFWQRZSA-N 418.541 4.712 0 40 HJAB Cc1ccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2cccc(C)c2)cc1 408699841 ZRHITXGWYWSUPT-UHFFFAOYSA-N 411.461 4.591 0 40 HJAB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OC(C)C 409245254 PUMODFMTMQPLPK-VCHYOVAHSA-N 414.889 4.537 0 40 HJAB O=S(=O)(Cc1csc(-c2cccs2)n1)c1nccn1-c1cccc(Cl)c1 510170843 RDRGFBKSHJSVMS-UHFFFAOYSA-N 421.956 4.685 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@H](Oc2ccncc2Cl)C1 575609964 CYURCVRUENSXLO-IBGZPJMESA-N 407.901 4.687 0 40 HJAB Cc1ccccc1[C@@H]1CC(=O)c2c(nc3c(cnn3-c3cc(F)cc(F)c3)c2N)C1 618256961 PBGAXSNOIZDDNR-ZDUSSCGKSA-N 404.420 4.502 0 40 HJAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)NCC(C)C)ccc21 643575757 NWFNWZPVTOQOEB-UHFFFAOYSA-N 401.595 4.600 0 40 HJAB Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CCC[C@H]4C[C@@H]43)c12 672127668 ZJJMOPVBYQXAKV-GUYCJALGSA-N 401.388 4.842 0 40 HJAB CCCCCCOc1cccc(CN[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c1 1656011862 YIGWYOANZYXRKI-GOSISDBHSA-N 402.485 4.819 0 40 HJAB Cc1cc2c(=O)n(-c3ccccc3)c(SCc3nc4ccccc4[nH]3)nc2s1 641103 PSYGYEZTHKEUSP-UHFFFAOYSA-N 404.520 4.924 0 40 HJAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)CC1 804989 FIDKAKZUVISSMI-UHFFFAOYSA-N 420.340 4.550 0 40 HJAB Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)n1 818264 MMUYKMJAZCLRBB-UHFFFAOYSA-N 404.948 4.525 0 40 HJAB aggregator COC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CC[C@@H](C)C2 993929 AHRDTFVDKGZIPL-SNVBAGLBSA-N 408.317 4.674 0 40 HJAB CCOc1ccc(NC(=O)c2sc(=S)n(-c3ccc(OC)cc3)c2N)cc1 1103652 JEDWSRRMUCANCY-UHFFFAOYSA-N 401.513 4.510 0 40 HJAB Cc1ccc(-n2ncc3c2ncn2c(Cc4cccc5ccccc45)nnc32)c(C)c1 2428025 DACZZPGCDOPKNO-UHFFFAOYSA-N 404.477 4.824 0 40 HJAB Cc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccccc23)cc1C 2713719 FCPTWGPZQJQJGN-UHFFFAOYSA-N 401.487 4.915 0 40 HJAB CCOc1ccc2nc(SCC(=O)N[C@@H](C)CCc3ccccc3)sc2c1 3221790 BSTLNTUTCKIJBA-HNNXBMFYSA-N 400.569 4.925 0 40 HJAB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 3297420 QEGIOPPDCLMAKZ-UHFFFAOYSA-N 418.946 4.848 0 40 HJAB O=C(Nc1cccc2ccccc12)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3561872 YMKGDZGSDHCDGC-UHFFFAOYSA-N 414.914 4.530 0 40 HJAB CCc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3ccccc3)CC4=O)nc(C)c2c1 4777057 VRKHWXCJILMKGE-GOSISDBHSA-N 409.493 4.947 0 40 HJAB CCOC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)cc1 5250294 BZSSVKKDKCUKAI-GZTJUZNOSA-N 416.886 4.623 0 40 HJAB COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2OCC(F)(F)F)cc1 6862061 YBNJIVUQXIFZDK-UHFFFAOYSA-N 407.310 4.836 0 40 HJAB CCOc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C)C2 6886834 OKARESGKXRBAEP-INIZCTEOSA-N 418.493 4.554 0 40 HJAB Cc1nc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)n(C2CCCCC2)c1C 6973357 NZVXQAGFBYGEQG-OAHLLOKOSA-N 401.532 4.853 0 40 HJAB COc1ccc(C(=O)[C@@H](C)Sc2nnc([C@H](C)Oc3ccccc3F)o2)cc1 7137655 PMFDEGVZSIRZBL-QWHCGFSZSA-N 402.447 4.721 0 40 HJAB COc1cc(CNn2cnnc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 7602509 MJKCBZDBQNOOID-UHFFFAOYSA-N 413.692 4.570 0 40 HJAB O=C(CCN1C(=O)CSc2ccccc21)Nc1ccccc1Cc1ccccc1 8061108 CWTCUGHHYJKFIJ-UHFFFAOYSA-N 402.519 4.745 0 40 HJAB Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cs2)cc1 8156114 QKHYVCVJDRWVSB-LJQANCHMSA-N 406.507 4.867 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1ccc2c(c1)CCCC2 8327322 TUEMNZQYKJBYDP-CQSZACIVSA-N 411.502 4.724 0 40 HJAB COc1ccc2cc(CN(C)C(=O)c3ccc(Cl)c(N4CCCC4=O)c3)ccc2c1 8360974 QJARHKCROFMTMQ-UHFFFAOYSA-N 422.912 4.901 0 40 HJAB O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 8649039 LFHVQJUKXYKRAU-OAHLLOKOSA-N 424.309 4.569 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(F)c1 8868088 UATSXNGJSNRLHJ-HBMCJLEFSA-N 422.843 4.530 0 40 HJAB CCOC(=O)Nc1sc(NC(=O)Cc2cccs2)nc1-c1ccc(C)cc1 9054248 ZBCGZLFATASLBJ-UHFFFAOYSA-N 401.513 4.930 0 40 HJAB O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)Nc1ccccc1 9199867 SIHRHKSWHILETO-UHFFFAOYSA-N 401.491 4.981 0 40 HJAB CCOc1ccc2nc(SCC(=O)Nc3ccc(Br)cc3F)[nH]c2c1 9491620 DQYOFGHKLVJNGZ-UHFFFAOYSA-N 424.295 4.594 0 40 HJAB O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)Nc1ccc(F)c(Cl)c1 9785169 UMHUZNNPJDPGGF-UHFFFAOYSA-N 410.902 4.571 0 40 HJAB COc1cc(NCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc(OC)c1 9972230 GKMBKXHMCDVWJW-UHFFFAOYSA-N 424.884 4.639 0 40 HJAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)cc1C 10325179 UAALYZJTDWCNMA-GOSISDBHSA-N 420.534 4.696 0 40 HJAB CC[C@H](C)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)c(N)cc2OC)cc1 11458281 WOAPZPMRQAXNGW-STQMWFEESA-N 404.894 4.628 0 40 HJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(Br)cc2)ns1 11914334 RTJLYMGMWAHMFC-JTQLQIEISA-N 422.279 4.513 0 40 HJAB CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 12062730 JHFRENWAYVPMFT-ZDUSSCGKSA-N 401.850 4.503 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1c(N)c(C(=O)c2ccccc2)n2ccccc12 12342150 ZJBQJJFTWUBTTF-UHFFFAOYSA-N 403.869 4.967 0 40 HJAB CCOc1cc(/C=C/c2nc3cc(Cl)ccc3s2)ccc1OCC(=O)N(C)C 12763509 AGBJYGRQOFHQOQ-UXBLZVDNSA-N 416.930 4.986 0 40 HJAB C[C@H]1CN(CCOc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)C[C@@H](C)O1 13609399 MOMCYAXYJWYDSO-IYBDPMFKSA-N 413.901 4.601 0 40 HJAB COc1cc([C@H]2N(C)c3ccccc3-c3nc4ccccc4n32)cc(OC)c1OC 13714356 GJLDBYOMTSXIKC-DEOSSOPVSA-N 401.466 4.726 0 40 HJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@@H]3C2=O)c1 13757647 GLTQFBFWISJYOZ-FKBYEOEOSA-N 418.880 4.700 0 40 HJAB COc1ccccc1N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)C1CCCCC1 13778201 AYWVCXIPXLOQES-UHFFFAOYSA-N 404.510 4.959 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)cc1C 13980917 TWWKTJVDGMKMEK-MKMNVTDBSA-N 424.497 4.895 0 40 HJAB O=C(COc1ccc(Br)cc1F)Nc1ccc(-c2nccs2)cc1 14576073 GIKARQXWEGYRBY-UHFFFAOYSA-N 407.264 4.729 0 40 HJAB O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)Nc1nc2ccccc2s1 16848995 DOSVYNSYNWXWPL-UHFFFAOYSA-N 423.523 4.968 0 40 HJAB COc1ccccc1CN1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CCCC1 19570551 ZMSYTYZZGNSINU-VABKMULXSA-N 424.610 4.763 0 40 HJAB COC(=O)c1c(-c2cccs2)csc1NC(=O)COc1ccc(Cl)cc1 21785449 LEMSQFJPFDRNOD-UHFFFAOYSA-N 407.900 4.934 0 40 HJAB O=C(Nc1ccccc1-c1nc(-c2ccco2)no1)c1ccc(Br)o1 22461452 FHZAGJDVEKJWMG-UHFFFAOYSA-N 400.188 4.604 0 40 HJAB O=C(NCCc1ccc(Br)s1)c1ccc(COc2ccccc2)o1 22994328 FQMFENJXKYOLLY-UHFFFAOYSA-N 406.301 4.655 0 40 HJAB O=C(NCCc1cccc(Cl)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F 24865586 UHXOFRGBYDQHOR-UHFFFAOYSA-N 411.786 4.656 0 40 HJAB C[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(Br)cc2)no1 27749594 OUYIKKUPATZWOR-NSHDSACASA-N 405.223 4.649 0 40 HJAB O=C(COC(c1ccccc1)c1ccccc1)Nc1nnc(-c2ccccc2)s1 28282059 SWBZUDLEWFACRD-UHFFFAOYSA-N 401.491 4.950 0 40 HJAB CC1CCN([C@@H](CNC(=O)c2ccc(Br)cc2)c2cccs2)CC1 28291505 UVAISRURWBBVMN-KRWDZBQOSA-N 407.377 4.714 0 40 HJAB Cc1nc(CN2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)s3)CC2)cs1 28959534 NCAIBWDZCUVJGH-UHFFFAOYSA-N 417.987 4.791 0 40 HJAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 29986697 KUIXRBVHYXVVLQ-UHFFFAOYSA-N 404.558 4.886 0 40 HJAB O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1cc(C2CC2)[nH]n1 30649206 VMZUBEBMQAIMSD-UHFFFAOYSA-N 415.375 4.549 0 40 HJAB Cc1ccc([C@H](NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)cc1 30859075 CPXYRYYGUNKBBM-GOSISDBHSA-N 422.369 4.887 0 40 HJAB COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 30864184 IJQXMCLQULKZDL-ROUUACIJSA-N 418.493 4.592 0 40 HJAB CCOc1ccc(-c2nc(CSCc3nnnn3-c3ccccc3)cs2)cc1 31413010 FHISMSIWWBTFFJ-UHFFFAOYSA-N 409.540 4.618 0 40 HJAB COc1ccc(CNC(=O)c2ccccc2CSc2nc3ccccc3s2)cn1 32909699 PXNIRGYWCIXWDI-UHFFFAOYSA-N 421.547 4.922 0 40 HJAB Cc1nc2cc(NC(=O)[C@H]3CCCN3c3ncc(C(F)(F)F)cc3Cl)ccc2o1 32932552 DWQLXYHXSSDQAW-OAHLLOKOSA-N 424.810 4.811 0 40 HJAB O=c1/c(=C/c2cc(Cl)ccc2OCc2ccccc2)sc2nc3ccccc3n12 33343411 HTZJSRAXIYYJSX-BKUYFWCQSA-N 418.905 4.689 0 40 HJAB CCOc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)cc1 40022000 WUPSWQQFHXOXEE-QNGOZBTKSA-N 406.507 4.865 0 40 HJAB CC(C)(C)c1ccc(-c2nc(-c3cccc(OCC(=O)N4CCCC4)c3)no2)cc1 44974440 LTGIJTPSHBWCQQ-UHFFFAOYSA-N 405.498 4.702 0 40 HJAB CCc1ccc([C@@H](NC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)C(C)C)cc1 58341188 KWKRGQHVONPTAD-PKOBYXMFSA-N 414.493 4.667 0 40 HJAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nn1cnc2ccccc21 59018283 FUYUELMTVYPFKE-UHFFFAOYSA-N 410.886 4.696 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 60062869 IDTUFPZKNRRKCO-KRWDZBQOSA-N 406.269 4.739 0 40 HJAB Cc1ccsc1CN(C)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 60568269 CVHKYQYWEGGNNW-UHFFFAOYSA-N 417.396 4.915 0 40 HJAB COc1cc2cc(C(=O)O)cc(-c3ccc(Br)cc3)c2c(OC)c1OC 62702280 IMRBCEKHKLPKKG-UHFFFAOYSA-N 417.255 4.993 0 40 HJAB COc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc(OC)c1 67297362 SWYIULVGKZLZCT-LCUIJRPUSA-N 400.434 4.935 0 40 HJAB COc1ccc(-c2nnc(SCc3noc(C(C)(C)C)n3)n2-c2ccccc2)cc1 69597208 AGQWKAKVLMMMKW-UHFFFAOYSA-N 421.526 4.916 0 40 HJAB Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 78623922 QWHXUZSTRUMLCJ-AZGAKELHSA-N 412.533 4.791 0 40 HJAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102702858 XDFUWSLMORUIPV-WXFUMESZSA-N 412.489 4.663 0 40 HJAB COc1ccc([C@@H]2CC3=Nc4nonc4N[C@@H](c4cccc(OC)c4)C3=C(O)C2)cc1 102748333 HGECIMUPRWYNOT-VFNWGFHPSA-N 418.453 4.716 0 40 HJAB COc1cc(OC)cc([C@H]2Nc3nonc3N=C3C[C@H](c4ccccc4)CC(O)=C32)c1 102833969 VLUJEIMXDCWPNN-LHSJRXKWSA-N 418.453 4.716 0 40 HJAB Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)o2)cc1 223322110 MQVJDJWZRIYNRY-WTOYTKOKSA-N 423.513 4.632 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1Cc1ccccn1 223530768 ORHNJIUANOVOCI-VXKWHMMOSA-N 403.555 4.566 0 40 HJAB CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1 224008782 NJPYJVNHCLDGJB-RTWAWAEBSA-N 420.538 4.544 0 40 HJAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)c1 224130425 XOFUVZWGWQYDHJ-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc(OC)c(C)c1 224141943 WWAKUCGHWXRCEK-KSSFIOAISA-N 406.320 4.801 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 224407660 JZLPJDINJCBRRW-DEOSSOPVSA-N 424.560 4.851 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 224768107 VJMHEIGVTHZISH-FQEVSTJZSA-N 412.599 4.562 0 40 HJAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccccc1C(=O)N1CCCCC1 224860596 WVFASTAEICZLLY-UHFFFAOYSA-N 420.937 4.977 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1ccc(C)cc1I 225013085 TZOQHHDHHXWQQF-UHFFFAOYSA-N 401.631 4.514 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 225132294 LEZMAHXCERVRLY-NRFANRHFSA-N 400.950 4.525 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2Cl)c(C)c1 225200851 ACCIENWLIXHTDP-OAHLLOKOSA-N 408.951 4.532 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 225699845 HVCBDWYLMTZHLG-FQEVSTJZSA-N 418.990 4.764 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1snnc1-c1ccc(Br)cc1 225784608 SWLMIZUIKDQEIC-UHFFFAOYSA-N 424.707 4.882 0 40 HJAB CC1CCN(c2cc(C(F)(F)F)nc(NC(=S)NC3CCCCCC3)n2)CC1 226011095 AWLOXRUWIIQUHP-UHFFFAOYSA-N 415.529 4.741 0 40 HJAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1)Nc1cccc(Cl)c1 253568133 KWDOYGYKSGNAEO-UHFFFAOYSA-N 402.951 4.657 0 40 HJAB COCCCNC(=O)CCc1ccc2c(c1)C[C@@](C)(Cc1ccc(Cl)c(F)c1)O2 257297739 RIQNRDVAFMNUKB-HSZRJFAPSA-N 419.924 4.501 0 40 HJAB CC(C)(C)NC(=O)[C@@H]1C[C@H](c2ccn(C(C)(C)C)n2)[C@H](c2ccc(Cl)c(F)c2)N1 257297885 RJEURSCGRKNECG-CCKFTAQKSA-N 420.960 4.532 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 408643936 SAVAFKLRTJYLCJ-MRXNPFEDSA-N 415.331 4.620 0 40 HJAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)C1=O 409233671 HDDIMFKDSNYJOT-WOJGMQOQSA-N 414.889 4.539 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OC(C)C)C2=O)cc1C 409335189 ZHYVVMCYSJROMY-NDENLUEZSA-N 424.522 4.766 0 40 HJAB Cc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1 409412595 YHAOZLPLTJBEOL-UHFFFAOYSA-N 422.550 4.651 0 40 HJAB O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1cccnc1C1CC1 541295184 USIDHWDJRQIVJW-OAQYLSRUSA-N 403.551 4.550 0 40 HJAB CC(CC(=O)N[C@H](C(C)(C)C)C(F)(F)F)CC(=O)N[C@H](C(C)(C)C)C(F)(F)F 577045797 HVXPUILAOZSNDO-ZIAGYGMSSA-N 420.438 4.589 0 40 HJAB CC1(C)C[C@@]2(CCCN2C(=O)c2cnccc2C(F)(F)F)CN1c1cccc(F)c1 2037988419 FSFBYZRZNXUQIV-NRFANRHFSA-N 421.438 4.903 0 40 HJAB COc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(Br)cc1 663033 JPLCIFYZYVVSLL-UHFFFAOYSA-N 422.344 4.849 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc34)n2C)c1 687608 DOTUYQJQISSALO-UHFFFAOYSA-N 418.522 4.587 0 40 HJAB COC(=O)c1c(NC(=O)COc2ccc(Cl)c(C)c2)sc2c1CC[C@@H](C)C2 729930 YODAKRNAZNJRKB-LLVKDONJSA-N 407.919 4.639 0 40 HJAB Cc1cc(C)c2cc(CN(Cc3cccs3)C(=S)NCC(C)C)c(=O)[nH]c2c1 884657 JMNCTWDEYHKZPZ-UHFFFAOYSA-N 413.612 4.739 0 40 HJAB Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc5ccccc5s4)n3c2c1 903094 VXFCDGZDQSLYJV-UHFFFAOYSA-N 419.535 4.840 0 40 HJAB Clc1ccc(-c2nc(-c3ccncc3)ncc2-c2nnnn2-c2ccccc2)cc1 982056 PCKLITPGXCDJHM-UHFFFAOYSA-N 411.856 4.502 0 40 HJAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O)Nc1ccc(F)cc1 1013092 RYXHJZNDPHULGB-UNOMPAQXSA-N 422.437 4.761 0 40 HJAB COc1cccc(NC(=O)N2CCC(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1336640 JHYLPZOHXKUCTO-UHFFFAOYSA-N 406.404 4.841 0 40 HJAB O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)c1ccco1)c1ccc(F)cc1 1380051 JZBRBXZZPICNAT-FQEVSTJZSA-N 412.486 4.927 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccc(C)cc3)n2)cc1OC 2336645 HVZHVDRLRNYVQE-UHFFFAOYSA-N 415.449 4.982 0 40 HJAB c1ccc(Cn2cc3c(-c4ccc5c(c4)OCO5)nnc-3c3cc4c(cc32)OCO4)cc1 2688712 GQGGGJAHZRPFQW-UHFFFAOYSA-N 423.428 4.709 0 40 HJAB CCCSc1nnc(CSc2ncccn2)n1-c1cccc(C(F)(F)F)c1 2706219 RSEOLOSLYXTMLK-UHFFFAOYSA-N 411.478 4.871 0 40 HJAB C[C@H](NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 3275523 DVIIXVHWFKZWHD-SFHVURJKSA-N 410.473 4.936 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nnc(-c2ccccc2F)o1 3398267 SPKXDBZGYSUNEI-UHFFFAOYSA-N 415.490 4.913 0 40 HJAB O=C(NC[C@@H]1OCCc2ccccc21)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 3635459 LWPFMMNJPLVHBX-QFIPXVFZSA-N 420.896 4.636 0 40 HJAB aggregator CCOc1cccc2c1O[C@@H](c1ccc(OC)cc1)N1N=C(c3cccnc3)C[C@H]21 4540139 SKTKKIDETZOUTP-QPPBQGQZSA-N 401.466 4.731 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2cn(C)c3ccccc23)cc1 4734644 JLEPDRFJLLIHNH-RUZDIDTESA-N 409.489 4.671 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(C)n1-c1cccc(Cl)c1 4994069 YUEZOAZOLVHAKT-UHFFFAOYSA-N 407.326 4.922 0 40 HJAB COc1ccc(C2=NN(C(=O)CSc3nc(C)cs3)[C@@H](c3ccco3)C2)cc1 5101565 LSAZBIHHZBJGLG-QGZVFWFLSA-N 413.524 4.523 0 40 HJAB COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccccc3SC)nc12 5242690 HTULRBMJVUYLAM-UHFFFAOYSA-N 415.584 4.544 0 40 HJAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(N2CCOCC2)cc1 5637936 WHEKYIRSXOUFSZ-UHFFFAOYSA-N 423.538 4.673 0 40 HJAB C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)NCC1CCCCC1 5887128 LIWIVSRFJLZWIB-INIZCTEOSA-N 410.543 4.704 0 40 HJAB C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1ccccc1-c1ccccc1 6138446 FNHSOOHJCFGUCW-INIZCTEOSA-N 415.522 4.663 0 40 HJAB CCn1c(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)nc2ccccc21 6649890 YFVBDGCVJASGLI-AWEZNQCLSA-N 410.568 4.978 0 40 HJAB CSc1ccccc1NC(=O)CN(C)Cc1c(-c2ccccc2)nc2ccccn12 7285728 FKYNWVLZWGVIAW-UHFFFAOYSA-N 416.550 4.794 0 40 HJAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2oc3ccccc3c2C)c1C 7408707 QSGOCMOWZIQWER-IBGZPJMESA-N 420.509 4.618 0 40 HJAB COc1ccccc1NC(=O)c1cc2c(N3CCCCC3)nc(SC)nc2s1 7604205 WNSCJBUXKBINEO-UHFFFAOYSA-N 414.556 4.664 0 40 HJAB Cc1cc(C(=O)CCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c(C)s1 8209833 ZNZXOSJCWPVZBV-UHFFFAOYSA-N 422.554 4.951 0 40 HJAB CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc21 8840867 ORUMYIFQVALLBW-UHFFFAOYSA-N 400.544 4.546 0 40 HJAB O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc21 8961253 JAALWKUTSWOMAP-UHFFFAOYSA-N 414.870 4.640 0 40 HJAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3cccc4ccccc34)co2)n1 9829264 FZBKSAWTEXOOIT-UHFFFAOYSA-N 418.474 4.711 0 40 HJAB C[C@@H]1C[C@H](Sc2nnc(-c3c[nH]c4ccccc34)n2-c2ccc(Cl)cc2)C(=O)O1 9877910 ZYWNCXVJCDWOPZ-XIKOKIGWSA-N 424.913 4.865 0 40 HJAB COc1ccccc1[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(C)cc2)c2ncnn21 10060385 TUOQOYOPYCEZCS-GOTSBHOMSA-N 424.504 4.976 0 40 HJAB COc1ccc(-c2nc3c4ccccc4nc(SCC(=O)c4ccco4)n3n2)cc1 10157696 WYKLXFSBVNXNOK-UHFFFAOYSA-N 416.462 4.521 0 40 HJAB COc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1OC 10220408 PYDVNSSQWPYEBS-UHFFFAOYSA-N 422.872 4.652 0 40 HJAB C[C@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 11026709 BSEPTLSTGAQHML-VIFPVBQESA-N 404.196 4.779 0 40 HJAB Cc1ccccc1OCCCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 11667388 QHINEZFTAJCVMG-GOSISDBHSA-N 403.482 4.898 0 40 HJAB COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)c1 12463065 AWFUVWBKELHOTE-HXUWFJFHSA-N 411.505 4.922 0 40 HJAB COc1cc(CNC(=O)c2c[nH]nc2-c2ccccc2)ccc1OCc1ccccc1 12541081 QDVKGBVJZNBMFI-UHFFFAOYSA-N 413.477 4.594 0 40 HJAB Cc1nnc(SC2=C3CCCC[C@@]3(c3ccccc3Cl)N(C)C2=O)n1C1CC1 12750226 HCDJLWSATAYWTC-NRFANRHFSA-N 414.962 4.863 0 40 HJAB CCc1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 12884738 KVBWYIZRQKAQPQ-WUKNDPDISA-N 423.516 4.728 0 40 HJAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 14009871 SHONPDCTZWXGQG-VGSSETLESA-N 400.862 4.623 0 40 HJAB Cc1ccc2c(Cl)cc(Cl)c(OCc3cc(=O)n4c(C)cccc4n3)c2n1 16183369 GIURPLPIAOWPRR-UHFFFAOYSA-N 400.265 4.745 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4ncccc4o3)ccc2C)c1 17090708 JQLKKYIOQCBTRU-UHFFFAOYSA-N 416.506 4.942 0 40 HJAB CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccc(F)c3)CC[C@H]21 19081632 XRRQNQSLKRJXTB-NJDAHSKKSA-N 400.563 4.750 0 40 HJAB O=C(NC1CCCC1)c1cc(C2CCN(C(=O)c3cccc4ccccc34)CC2)no1 19376361 PUBRMMGALPYTGF-UHFFFAOYSA-N 417.509 4.520 0 40 HJAB Cc1ccc(C)c(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccccc2)c1 22273958 HZVFDSYHQUJZTN-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 22853888 KNQFVMFTIGUJOB-IIYDPXPESA-N 404.967 4.780 0 40 HJAB COc1ccc(NC(=O)Cc2csc(Nc3cccc(Cl)c3)n2)cc1OC 23136647 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ABEQPFCQRZSIEY-INIZCTEOSA-N 420.513 4.714 0 40 HJAB Cc1ccc(NC(=O)CSc2ccc(-n3cnc(-c4ccccc4)c3)nn2)c(C)c1 49401203 USZFUQSSYZKAGG-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1nc(N2CCCC2)ncc1Cl 58402853 MHKUUFYADXHHBA-UHFFFAOYSA-N 417.296 4.574 0 40 HJAB CSCC[C@H](NC(=O)Cn1ccc2ccc(Cl)cc21)c1nc2ccccc2[nH]1 64680988 WTWINPYGRHDMBD-SFHVURJKSA-N 412.946 4.782 0 40 HJAB COc1cccc(C[C@@H](C)CC(=O)Cc2ccc(I)cc2)c1 71405976 OXJHNCLEDSIAAR-CQSZACIVSA-N 408.279 4.680 0 40 HJAB CC(=O)Nc1ccc(CN2CCC[C@@H](c3cncc(-c4cccc(C)c4)n3)C2)cc1 72359718 TWLKATWOGCRISI-JOCHJYFZSA-N 400.526 4.790 0 40 HJAB COc1cccc(CC(=O)Nc2ccc(CN(C[C@@H]3CCCCO3)C(C)C)cc2)c1 95986090 QICXKHUKZFNHFC-DEOSSOPVSA-N 410.558 4.656 0 40 HJAB CSc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1 96117739 ICPMPYFLXGEICV-PBHICJAKSA-N 403.573 4.915 0 40 HJAB O=C1[C@H]2[C@@H](c3ccccc3)N(c3ccccc3)O[C@H]2C(=O)N1c1cccc2ccccc12 102711512 LWGQZJYYCUEDKM-ISJGIBHGSA-N 420.468 4.891 0 40 HJAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103363781 OIWJNXFQILPYHM-BWJWTDLKSA-N 410.543 4.639 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)c2cccc(C)c2)cc1 197524023 JFNAIMBRCKBORS-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 222955364 SCXMZVWYUPSPQS-VWLOTQADSA-N 414.549 4.762 0 40 HJAB Cc1nc(NC(=S)NC2CCCCCC2)c(Br)cc1Br 224040277 CYQAKQBAXWWTGB-UHFFFAOYSA-N 421.202 4.924 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc(CN2CCCCC2)c1 224682664 ABNVFDUVPHMBMG-OAQYLSRUSA-N 400.950 4.800 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 224694632 AWQHNORTQAIEMU-HXUWFJFHSA-N 424.585 4.615 0 40 HJAB CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225109029 SGTBVQDGSMTLLJ-UHFFFAOYSA-N 411.804 4.722 0 40 HJAB Cc1ccccc1-c1noc(CN(C)C(=O)CCc2c(Cl)cccc2Cl)n1 225364924 AGLOTWPWLGBROU-UHFFFAOYSA-N 404.297 4.943 0 40 HJAB COc1ncccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257202124 AKOQXZGRXNECIB-LJQANCHMSA-N 411.889 4.690 0 40 HJAB COc1cc(C)ccc1CN1CCO[C@H](c2cccc(Nc3nc(C)c(C)s3)n2)C1 257269678 MQXVDVPOHAUMRE-NRFANRHFSA-N 424.570 4.789 0 40 HJAB CC(C)c1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1 408561571 JUWMXWNXPQYLFT-UHFFFAOYSA-N 401.532 4.629 0 40 HJAB CCOC(=O)N[C@@H](CC(=O)Nc1ccc(Br)c(C)c1C)c1ccccc1 408981967 WWJRAOMTZPKXQC-SFHVURJKSA-N 419.319 4.882 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 409342557 GPCMKOZMOOTQBO-LZYBPNLTSA-N 421.305 4.977 0 40 HJAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc1 409351659 YBIYQQHPSCEGIR-MOSHPQCFSA-N 424.522 4.767 0 40 HJAB Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 409384011 VIIDJGNCBXHESQ-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CCc1ccc(C[C@@]2(C)Cc3cc(C(=O)N(CCC(=O)O)CC(C)C)ccc3O2)cc1 585268039 UUZMVPXQBGATDY-SANMLTNESA-N 423.553 4.758 0 40 HJAB Cn1ccnc1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc(F)c1 685519196 YZASMSVKESTYNK-IPMKNSEASA-N 417.406 4.587 0 40 HJAB C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)CCc1ccc2ccccc2c1 1528017482 LQPXMADUQUBMPT-JOCHJYFZSA-N 416.565 4.522 0 40 HJAB COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)NC3CCCCC3)cc2c1 880425 NOVVZZRPIQUGDL-UHFFFAOYSA-N 419.525 4.581 0 40 HJAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)cc1 900700 MUFYKUVJLXPHQZ-UHFFFAOYSA-N 415.518 4.977 0 40 HJAB COc1ccc(-n2c(SCc3cccc(OC)c3)nnc2-c2ccccn2)cc1 2356642 TZPFEFICTZVSCR-UHFFFAOYSA-N 404.495 4.639 0 40 HJAB Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccccc2F)n1 2401891 MLYFBLKWTKSKNE-FQEVSTJZSA-N 404.372 4.524 0 40 HJAB CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1 2411213 BCGCBJWEBGUQFJ-OAQYLSRUSA-N 424.928 4.724 0 40 HJAB CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccc(COc2ccccc2Cl)o1 2739520 DBPPZRCWUTVYEL-UHFFFAOYSA-N 421.884 4.970 0 40 HJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 2742279 NUCIYOSLQXSIIG-QGZVFWFLSA-N 401.528 4.988 0 40 HJAB CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 3072856 OCXBSKDWSMBCMM-INIZCTEOSA-N 415.331 4.783 0 40 HJAB CCOc1ccccc1NC(=O)CNc1ccc(Br)c(C(F)(F)F)c1 3304888 GLJKZJKNVQFHER-UHFFFAOYSA-N 417.225 4.917 0 40 HJAB O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccccc1 4088934 OVFFRIRCDMMSKN-UHFFFAOYSA-N 409.898 4.719 0 40 HJAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)o1 4553474 RWYZKGFOJXFPET-QHCPKHFHSA-N 409.869 4.557 0 40 HJAB CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cccc(Cl)c1 4800608 GNAGMWGCWHEIIP-UHFFFAOYSA-N 412.946 4.690 0 40 HJAB COCCn1c(C)cc(C(=O)COC(=O)c2sc3ccccc3c2Cl)c1C 4870825 PRZDIVVORHJSMA-UHFFFAOYSA-N 405.903 4.659 0 40 HJAB COc1cccc(/C=C(/C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc2)c1 4947005 QWFTUYJVLINWFJ-ZITFAWQMSA-N 407.510 4.569 0 40 HJAB CCCC(=O)Nc1ccc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 4961124 SRUOMGIKTXUXNC-UHFFFAOYSA-N 420.538 4.858 0 40 HJAB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(C)C 5644168 DVBYKFXGDAYNMO-VGOFMYFVSA-N 415.833 4.590 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccccc3Cl)c2)cc1 6478807 BTGMCPJPACKWFI-UHFFFAOYSA-N 407.853 4.940 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c2c(C)cc(=O)oc2c1 6671920 ZZXITHXKOLFLAH-UHFFFAOYSA-N 420.509 4.664 0 40 HJAB Cc1ccccc1NC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2NC12CCCCC2 6811749 OJNANKDKLALJAE-IBGZPJMESA-N 419.554 4.613 0 40 HJAB biogenic Cc1ccc2oc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cc(=O)c2c1 7313170 UGERDGANWGNRAK-HNNXBMFYSA-N 404.491 4.731 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)c3cccc(OCc4ccccc4)c3)n2)cc1 7668680 PNSCMXNLAIDMSN-UHFFFAOYSA-N 413.477 4.896 0 40 HJAB COc1cccc(-c2nc(C(=O)NCc3cccnc3)cc3c2[nH]c2ccccc23)c1 8394897 ZAZBCANVLIXUSE-UHFFFAOYSA-N 408.461 4.717 0 40 HJAB biogenic O=C(Nc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1F)c1ccc(Cl)cc1 8810056 PKTDTQLQNVADQP-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB CCOC(=O)c1c([C@@H]2COc3ccccc3O2)csc1NC(=O)Cc1ccccc1 8861333 CDQDYPVZMKGBNG-IBGZPJMESA-N 423.490 4.619 0 40 HJAB Cc1cc(C)nc(SCc2nc3cc(NC(=O)c4ccccc4)ccc3n2C)n1 8991830 FPRHSSMRJHAWFM-UHFFFAOYSA-N 403.511 4.525 0 40 HJAB Cc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccccc3F)c2=O)cc1Cl 10188163 DNNHKEFOMXFNCA-UHFFFAOYSA-N 421.859 4.798 0 40 HJAB C[C@@H]1SC(=N)N(c2ncc(Cc3ccc(Cl)c(C(F)(F)F)c3)s2)C1=O 11689759 RNQTZHRMGYOLBO-ZETCQYMHSA-N 405.854 4.809 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12774482 AODMUENIEFXUSV-LSDHHAIUSA-N 421.324 4.638 0 40 HJAB O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccc(F)c(F)c2)s1 12906996 HDFDMSMGONGALH-QPEQYQDCSA-N 409.820 4.622 0 40 HJAB COc1ccc2cc(COC(=O)[C@@H](C)Oc3ccc(C(C)=O)cc3)c(Cl)nc2c1 13058952 IVMRHCMLELKWDY-CQSZACIVSA-N 413.857 4.610 0 40 HJAB Cn1c(CCc2ccc(NCc3cc4ccccc4[nH]c3=O)cc2)nc2ccccc21 13561304 IHAJGYVATNGCPC-UHFFFAOYSA-N 408.505 4.812 0 40 HJAB O=C(CSCc1c(F)cccc1Cl)NCCSCc1ccccc1F 13676255 IGSFJWVLUTVWQX-UHFFFAOYSA-N 401.931 4.901 0 40 HJAB O=c1c2oc3nc(-c4ccco4)c4c(c3c2ncn1CCc1ccccc1)CCCC4 13733933 LNJSVGYJQXEXJT-UHFFFAOYSA-N 411.461 4.919 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)c3cccc(C)c3)c3ncnn32)cc1 13838994 JAOXREPSAXXEDK-RPWUZVMVSA-N 424.504 4.976 0 40 HJAB Cc1ccc(C(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(C)cc2)cc1 16789481 DCEXWPQNSCTEPM-UHFFFAOYSA-N 400.507 4.921 0 40 HJAB CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccc(Cl)cc2Cl)cc1 17039536 PDKJFRHBGYGOHD-UHFFFAOYSA-N 418.372 4.744 0 40 HJAB Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1ccccc1 17952287 GYMNKLBWYBVUMP-VSKRKVRLSA-N 418.880 4.700 0 40 HJAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(C[C@H]2CC=CCC2)C1 19236810 XOXJGZHJMGRMII-SGIRGMQISA-N 403.570 4.929 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3ccc(OC)cc3)nnc2c1-c1ccc(Cl)cc1 20633702 OQRZZEXGCKKZBL-UHFFFAOYSA-N 421.888 4.576 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=O)c2cc(Br)ccc2Cl)c1 21358321 QXDOIIPCLOBLNJ-UHFFFAOYSA-N 403.059 4.795 0 40 HJAB CC(C)c1ccc([C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 23057336 TUKJYGWWSLYWSB-JPYJTQIMSA-N 416.521 4.848 0 40 HJAB Cc1ccc(-n2cnnc2SCC(=O)N2CCc3sccc3[C@H]2C)cc1Cl 25575728 YMLHBRKNNDCAPG-CYBMUJFWSA-N 418.975 4.529 0 40 HJAB COc1ccccc1NC(=O)[C@@H]1CC(O)=Nc2c(C)c(-c3cccc(Cl)c3)nn21 32074834 HPSZKRMYIPYILP-INIZCTEOSA-N 410.861 4.692 0 40 HJAB O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)Nc1ccccc1 35289526 NCPWYRHDRKDPSZ-UHFFFAOYSA-N 421.913 4.714 0 40 HJAB COc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1Br 40414010 DWTMLWCPXJCSMQ-UHFFFAOYSA-N 411.104 4.565 0 40 HJAB C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(N(C)Cc4ccccn4)c23)C1 48313149 JBQZZBYMDOYHLX-HNNXBMFYSA-N 401.539 4.910 0 40 HJAB Cc1cc(N2CCSCC2)ccc1NC(=O)/C=C/c1c(Cl)nc2sccn12 50496260 FBHVMTXLFXFHDH-SNAWJCMRSA-N 418.975 4.563 0 40 HJAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1C 57528127 MZXPQAXIWDFHAE-UHFFFAOYSA-N 420.271 4.612 0 40 HJAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCN([C@@H](C)Cc4ccc(F)cc4)C3)cc2n1 57774664 CZBRAZBQHFURHJ-HOCLYGCPSA-N 420.454 4.870 0 40 HJAB CCOc1cc(C(=O)OC)cc(NC(=S)Nc2ccc(F)c(C)c2)c1OCC 71326133 FPOLFCZCRPEUMY-UHFFFAOYSA-N 406.479 4.527 0 40 HJAB NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)CCc1ccc(F)cc1 72370499 HVXFLZXLLYRICO-SFHVURJKSA-N 424.541 4.696 0 40 HJAB CCOc1cc(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)cc(Cl)c1O 95941046 YGNMKZGVYVYTEA-KRWDZBQOSA-N 415.877 4.621 0 40 HJAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102420606 OIWJNXFQILPYHM-IETPZCKNSA-N 410.543 4.639 0 40 HJAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2C)cc1 102755772 MKTCJRDZURCFKV-RCXJIHSJSA-N 422.569 4.619 0 40 HJAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 222775533 SBVPRIWFOPXJNK-RTBURBONSA-N 400.910 4.657 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(OC)cc1 222977320 OSXMSDKKTPMPPF-FGZHOGPDSA-N 406.555 4.654 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 223016437 NGFNUVJUFPJMHQ-QRWLVFNGSA-N 402.922 4.973 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 223032505 CJORXJNTYYSODB-QFIPXVFZSA-N 424.585 4.633 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 223134146 QZWNBVRGWQJKJM-NRFANRHFSA-N 412.599 4.809 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223223384 HRUXXTILXQFFQL-JOCHJYFZSA-N 412.549 4.609 0 40 HJAB CC(C)Oc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1 223255182 XTZUTXYVCIXKTJ-QNGOZBTKSA-N 406.507 4.945 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C 224265763 QLASCAIJUAQVKB-QFIPXVFZSA-N 424.585 4.615 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 224399947 VTTKEPSFFPRUNT-XMMPIXPASA-N 424.560 4.851 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 224732265 HRNNGAQQXHJCQA-QFIPXVFZSA-N 414.977 4.771 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 225248282 XVOFHWKVGUXEHG-JOCHJYFZSA-N 414.977 4.833 0 40 HJAB COc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC(C)C)c1 225663159 FKSKWJMROQKOBQ-FQEVSTJZSA-N 424.585 4.693 0 40 HJAB CC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)COC(c2ccc(Cl)cc2)OC1 225919230 KCJAIKAMJGWIKX-UHFFFAOYSA-N 415.795 4.929 0 40 HJAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Br)c1)C(F)(F)F 226358461 CPAXTZGBGWBTAD-UHFFFAOYSA-N 412.161 4.723 0 40 HJAB Cc1ccc(C(C)C)c(OCc2nn3c(-c4c(C)nc5ccccn45)nnc3s2)c1 227143580 LGGMHRWEPNGQIG-UHFFFAOYSA-N 418.526 4.820 0 40 HJAB O=C(N1CCOC[C@H](Cc2cccc3ccncc23)C1)C1(c2ccccc2)CCCC1 257247032 IXBZIBPYLKXYRZ-OAQYLSRUSA-N 414.549 4.764 0 40 HJAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408608562 NYXXLGIHBFBDBX-UHFFFAOYSA-N 424.566 4.778 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 408642055 NKLAZRGVTVEWLA-ZDUSSCGKSA-N 421.722 4.657 0 40 HJAB CCOc1c(I)cc(CNc2cc(C)ccc2C)cc1OC 409120518 WPASNLHWWQMIQX-UHFFFAOYSA-N 411.283 4.927 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)CCc3ccccc3)[C@](O)(C(F)(F)F)[C@H]2C1 409362609 SCGXGZJWPMHRQW-LLGFUMIMSA-N 410.480 4.921 0 40 HJAB COc1ccccc1-c1cccc(CN2CCC[C@H]2c2ccnc(CNC(C)=O)c2)c1 585261968 VDEGQFZYSJVJTR-VWLOTQADSA-N 415.537 4.730 0 40 HJAB Cc1ccc(CCc2nc(N3CCC(Cc4ccccc4)CC3)ncc2C(=O)O)cc1 585265076 GHIOIHCUAOWBRX-UHFFFAOYSA-N 415.537 4.728 0 40 HJAB Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)nc2)n1 585292882 PLTSKURFZOQNKX-BGVYSJOJSA-N 413.525 4.651 0 40 HJAB Cc1ccc(Oc2ccc(NC(=O)Nc3cc(-c4cccc(F)c4F)[nH]n3)cc2)nn1 1668639388 FRSGKAGLJUASIZ-UHFFFAOYSA-N 422.395 4.890 0 40 HJAB O=C(O)c1ccc2c(c1)CN(CC1CC1)CCCCCCCN2C(=O)c1ccncc1 2037949710 SJLZSHRZTNSGSE-UHFFFAOYSA-N 421.541 4.603 0 40 HJAB C[C@H](Oc1ccccc1)C(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl 713023 XPZUYZOFOVOVOT-KRWDZBQOSA-N 422.912 4.719 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 752067 VTCUMTFSANBUDK-UHFFFAOYSA-N 419.351 4.511 0 40 HJAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)c1ccc(F)cc1 924457 LRMZHBFNZWIZBX-UHFFFAOYSA-N 408.433 4.583 0 40 HJAB COc1cc2nc(SCc3c(C)cc(C)cc3C)n3nc(C)nc3c2cc1OC 1402101 NCLJETREAHLSLL-UHFFFAOYSA-N 408.527 4.821 0 40 HJAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(I)cc1 1515360 SSRQASSCCGCTNA-UHFFFAOYSA-N 406.248 4.667 0 40 HJAB O=C(NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1)c1ccccc1Cl 2309819 QFUJXGYQPNNRLP-UHFFFAOYSA-N 408.870 4.670 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2C)cc1 2446626 YLEXYPIPTULKHT-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB COc1ccc(C(=O)Nc2cccc(OC(F)(F)[C@@H](F)C(F)(F)F)c2)cc1OC 3235313 XVSHOLKUHLBTAR-INIZCTEOSA-N 423.309 4.828 0 40 HJAB CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3ccc(SC)cc3)N2C1=O 3636760 JOXGTVRRBSEHJW-SJLPKXTDSA-N 418.584 4.646 0 40 HJAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(N2CCOCC2)cc1 3953607 GPLWSFDVCPOUFR-UHFFFAOYSA-N 411.889 4.645 0 40 HJAB CCCc1cc(=O)oc2cc(OC(=O)CCCCCNC(=O)OC(C)(C)C)ccc12 4046025 SPOLUKLEPCWMKG-UHFFFAOYSA-N 417.502 4.736 0 40 HJAB biogenic Cc1occc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)n1C[C@@H]1CCCO1 4355101 WIJJDSGKZPZLCW-INIZCTEOSA-N 417.918 4.654 0 40 HJAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OCC)c(OC)c1)C2 4912632 CGRJXKZTACGEGF-QGZVFWFLSA-N 413.514 4.990 0 40 HJAB Cc1ccc(CNC(=O)Cc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)cc1 5235703 MNWIUYNDQFWZDS-UHFFFAOYSA-N 403.478 4.940 0 40 HJAB O=C([C@@H](Sc1nnc(NCc2ccccc2)s1)c1ccccc1)N1CCCC1 5468796 PMUBGVWIKAQLEJ-SFHVURJKSA-N 410.568 4.606 0 40 HJAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)N1CCc2ccccc2C1 6344737 WOSHRTVUIHIDCE-UHFFFAOYSA-N 411.530 4.974 0 40 HJAB Cc1c(CCC(=O)Nc2cccnc2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 6719157 XODYQQJRAVVNIR-UHFFFAOYSA-N 402.450 4.693 0 40 HJAB COc1ccc(C(=O)Oc2cc(-c3ccc(OC)cc3)c3oc(=O)sc3c2)cc1 6809676 JTKCFOFYPNCWOA-UHFFFAOYSA-N 408.431 4.758 0 40 HJAB CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(Br)cc1)CO3 6900577 QJOOQMACZIAECH-UHFFFAOYSA-N 400.272 4.783 0 40 HJAB O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 8341874 SIIZCSVGEGFOFW-JTPHSUOKSA-N 400.507 4.859 0 40 HJAB O=C(Oc1ccccc1C(=O)COC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1 8383463 XGQNCJGZGHWFMK-UHFFFAOYSA-N 419.216 4.845 0 40 HJAB CCc1cccc(CC)c1NC(=O)COC(=O)CCCC(=O)Nc1cc(C)ccc1C 8417650 MUZSBMGYYBMIRA-UHFFFAOYSA-N 424.541 4.719 0 40 HJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(I)cc1C 8493229 IOUKLCJVMPVSKF-QGZVFWFLSA-N 409.267 4.704 0 40 HJAB COc1cccc(-c2nc([C@H]3Nc4ccccc4C(=O)N3C[C@H]3CCCO3)cs2)c1 9471083 JPKUJHFHQQGRKQ-UTKZUKDTSA-N 421.522 4.564 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl 9664022 BJBAXNADDOZGNC-UHFFFAOYSA-N 421.353 4.926 0 40 HJAB COc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4ccc(C)cc4)nc3C2)cc1OC 10156582 WJDHAKSXUGQAPR-QGZVFWFLSA-N 403.482 4.767 0 40 HJAB Cc1cc(N[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CCCC1=O 10186256 MSWWGICRPBECSR-CYBMUJFWSA-N 406.313 4.868 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)COc1ccccc1-c1ccccc1 10213773 DHWJZOLOIUHTOS-UHFFFAOYSA-N 411.505 4.636 0 40 HJAB CCC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)cs1 12241481 CBRAUZRPELWSPT-UHFFFAOYSA-N 409.486 4.891 0 40 HJAB Cc1ccc(-n2nnc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)c2C)cc1 12274187 VXNPADVKOGNVHX-UHFFFAOYSA-N 423.929 4.837 0 40 HJAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)Nc2ccc(OC)nc2)cc1 12521982 NXFYJLSULFASHG-UHFFFAOYSA-N 419.456 4.958 0 40 HJAB Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@@H](C)Sc4ccccc43)n2)cc1 12594777 SKGQHCDQXQLZJM-OAHLLOKOSA-N 410.568 4.790 0 40 HJAB CCn1c(=S)[nH]c2cc(C(=O)N3CCC[C@@H]3c3cc(OC)ccc3OC)ccc21 12640037 XLAPJFXEGLCMIP-GOSISDBHSA-N 411.527 4.713 0 40 HJAB O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(OCc2ccccc2)cc1 12655099 ROACPKWIPWJHRF-UHFFFAOYSA-N 419.868 4.899 0 40 HJAB C[C@@H]1CCCN(Cc2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)C1 12780686 UHKPWWJHVFVFBG-GFCCVEGCSA-N 414.358 4.699 0 40 HJAB CSc1ccccc1NC(=O)CCn1cnc2scc(-c3ccccc3)c2c1=O 12795551 HFUKNBKVWSMKKJ-UHFFFAOYSA-N 421.547 4.876 0 40 HJAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCC(c2nc3ccccc3[nH]2)CC1 12823464 SWGWEMORXSJOEL-UHFFFAOYSA-N 400.482 4.557 0 40 HJAB CCCCc1ccc(CC(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1 12916086 RRMWPLQXGVNYDN-QHCPKHFHSA-N 406.570 4.676 0 40 HJAB COC(=O)c1ccc(OC)cc1OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 12922556 XUGSALSHJCXITG-DEOSSOPVSA-N 424.424 4.808 0 40 HJAB CCOc1ccc2oc(C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)c(C)c2c1 13148491 TWDWDZIRGLLESZ-UHFFFAOYSA-N 421.371 4.954 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(CN2CCCCC2)cc1 13680153 PWGCRMSVBXNMDU-UHFFFAOYSA-N 405.542 4.551 0 40 HJAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2cc(C)ccc2C)cs1)c1ccc(C)cc1 14047919 YMMGFKUGCGIFQP-FQEVSTJZSA-N 407.539 4.941 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)c(C)c1 14066076 HNOQIKRHSQVJEO-HXUWFJFHSA-N 417.553 4.513 0 40 HJAB O=C(CSc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 14075230 BUFXJMPZFHUSSJ-OAQYLSRUSA-N 409.551 4.792 0 40 HJAB COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 14132033 IRXSETQUMBHUEB-DEDYPNTBSA-N 403.459 4.863 0 40 HJAB Cc1ccccc1Cn1nc(C)c(NS(=O)(=O)c2ccc3ccccc3c2)c1C 14222446 HVHPQLZLPALNCR-UHFFFAOYSA-N 405.523 4.811 0 40 HJAB O=C(c1ccccc1)N1CCN(Cc2cc(-c3ccc(Cl)cc3Cl)no2)CC1 15497702 HVSXCCODOHPCDI-UHFFFAOYSA-N 416.308 4.606 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 15883257 YSGDOQWQTLALLR-UHFFFAOYSA-N 400.400 4.730 0 40 HJAB CCN(CC)c1ccc(C(=O)NCc2c(-c3ccc(C)cc3)nc3n2CCS3)cc1 17288072 HTEJUQQIUZUVHF-UHFFFAOYSA-N 420.582 4.740 0 40 HJAB Cc1ccc(Cc2ccc([C@H]3CCCN3C(=O)CCc3nnc(C(C)C)o3)nc2)cc1 19688482 KWHDMNDDBPTMQN-JOCHJYFZSA-N 418.541 4.784 0 40 HJAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 19694685 NGZVEQXIFMTXRW-LJQANCHMSA-N 420.944 4.883 0 40 HJAB Cc1nc2sc3c(c2c2nc(-c4ccccc4)nn12)CCN(Cc1ccccc1)C3 20566155 MMCFBZPNEXHQJD-UHFFFAOYSA-N 411.534 4.873 0 40 HJAB Cc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c(C)c1 20611163 DDGCFIFSGSQTCK-UHFFFAOYSA-N 404.445 4.502 0 40 HJAB CCOC(=O)C1=C(C)Nc2c(-c3ccccc3)c(C)nn2[C@@H]1c1ccc(OC)cc1 20674237 FZIQMWOMWIRVIW-JOCHJYFZSA-N 403.482 4.719 0 40 HJAB S=c1[nH]nc(-c2ccncc2)n1NCc1cc(Cl)ccc1OCc1ccccc1 22111053 JWNFMYPEUFYJSY-UHFFFAOYSA-N 423.929 4.979 0 40 HJAB O=C1O[C@H](C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)Cc2ccccc21 23121131 KBNCWWPLDFQNOL-IBGZPJMESA-N 400.459 4.684 0 40 HJAB COc1ccc(-c2csc(NC(=O)CCc3cc(C(C)=O)c(C)o3)n2)cc1OC 24281533 PDFUPGZXDPUQJZ-UHFFFAOYSA-N 414.483 4.503 0 40 HJAB O=C(CCc1nc(-c2ccco2)no1)N[C@H](c1ccccc1)c1cc2ccccc2o1 29645175 YYUAALWUIFFODU-HSZRJFAPSA-N 413.433 4.914 0 40 HJAB COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(C)cc3)n2)cc1 33012978 OBUFWBDCLPWWNF-UHFFFAOYSA-N 415.449 4.885 0 40 HJAB Cc1ccc2[nH]c3c(SCC(=O)Nc4ccc(Cl)cc4F)ncnc3c2c1 33172540 PHUZFBXKPJXUCF-UHFFFAOYSA-N 400.866 4.943 0 40 HJAB Cc1ccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1C 33271979 USANESPZBIFMQM-UHFFFAOYSA-N 406.507 4.670 0 40 HJAB C[C@H](Nc1nc(-c2ccc(Br)cc2)cc(C(F)F)n1)c1ccn(C)n1 36612871 DENVKBHESORALQ-JTQLQIEISA-N 408.250 4.750 0 40 HJAB CC(C)n1ccc(C(=O)N(Cc2ccccn2)c2nc3c(Cl)cccc3s2)n1 36701820 XUODTLVVMPBCII-UHFFFAOYSA-N 411.918 4.969 0 40 HJAB Cc1cc(C)c2cc(C(=O)O[C@@H](C(=O)Nc3cc(C)on3)c3ccccc3)[nH]c2c1 39536235 YTJKZMIBJCNKBD-OAQYLSRUSA-N 403.438 4.618 0 40 HJAB Cc1cc([C@@H](C)NC(=O)Nc2ccc(N3CCCN(C)CC3)c(F)c2)c(C)s1 46600865 FWVAOBRRUNTAPU-OAHLLOKOSA-N 404.555 4.529 0 40 HJAB Cc1cccc(Cn2nccc2NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1 48361562 HBWLRBLJMVBVFO-UHFFFAOYSA-N 414.465 4.646 0 40 HJAB Cc1cc(C)cc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C(C)C)c(=O)c32)c1 48988160 ODLZQSZZIHXQRK-UHFFFAOYSA-N 414.509 4.701 0 40 HJAB O=C(COc1ccc(Cl)cc1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 62129278 FOZNXZMMTUELKM-UHFFFAOYSA-N 409.917 4.521 0 40 HJAB Cc1cccc(-c2ccc(CC3(C(=O)N(C)C)CCN(C(=O)CC(C)C)CC3)cc2)c1 72345227 DXTFFRWRGQJQKO-UHFFFAOYSA-N 420.597 4.948 0 40 HJAB O=C(c1ccc(Cl)cc1Cl)c1ccccc1CN1CCC2(CC1)OCCO2 85651605 QESRHLKQOLIWEI-UHFFFAOYSA-N 406.309 4.563 0 40 HJAB CN(C[C@H](O)Cn1c2ccccc2c2ccccc21)C(=O)Nc1ccc(Cl)cc1 95116854 SXOMVDHZBXWGCI-SFHVURJKSA-N 407.901 4.973 0 40 HJAB CCOc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Cl)no2)cc1 98212185 LNSCWRMFIXNOMG-LJQANCHMSA-N 411.889 4.695 0 40 HJAB COC(=O)c1c(C)[nH]c(-c2ccccc2OC)c1[C@H]1C(=O)Nc2ccc(Cl)cc21 101616206 ZCYQMIVSFPUAJT-SFHVURJKSA-N 410.857 4.523 0 40 HJAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cccc(C)c5)[C@H](C)C4)[C@H]3C=C12 105380623 CMTQZHTYEISAFS-JNHPGVOLSA-N 420.597 4.740 0 40 HJAB biogenic Cc1cn2nc(C(=O)Nc3ccc(Cl)cc3C)cc2c(N(C)Cc2ccccc2)n1 169776980 LVUROGHEROADNI-UHFFFAOYSA-N 419.916 4.888 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2C)cc1 224205379 IAKHZAUXIWLQQC-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB CC(C)(C)c1ccc(O[C@@H](Cc2ccc(I)cc2)C(=O)O)cc1 225068060 XFJHNQDVXRZPBQ-KRWDZBQOSA-N 424.278 4.663 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)[nH]1 225336375 LOEZPMODDABGIC-VXKWHMMOSA-N 406.555 4.991 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 225512111 RRWCUDYRCZZSDG-QPPBQGQZSA-N 424.585 4.876 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225555689 GRKRLFRBBBBBRO-KRWDZBQOSA-N 418.990 4.682 0 40 HJAB CCOC(=O)c1cc(NC(=S)NC2(c3ccccn3)CCCC2)ccc1Cl 225866227 UHYNAWLDVUVGMC-UHFFFAOYSA-N 403.935 4.668 0 40 HJAB CC(C)CC(=O)N1CCC[C@H](c2nc(N3CCC[C@@H](C)C3)ncc2-c2cccnc2)C1 248252073 JHRWIUXJRNMLDQ-CTNGQTDRSA-N 421.589 4.527 0 40 HJAB COCCC(=O)N[C@@]1(C)C[C@H](c2ccccc2OC(C)C)O[C@@H]2C[C@H](C)CC[C@H]21 257199868 ABBRJJQHKKGXNP-LCCULQQWSA-N 403.563 4.651 0 40 HJAB COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)CC(C)C)c1OC 257264964 LWSOOQOZAKVDAP-UDFHZUOVSA-N 415.574 4.749 0 40 HJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260816968 SQVMYWLVQCQDPP-RDPSFJRHSA-N 404.595 4.967 0 40 HJAB CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 408617247 ABOIHUYWODEEPC-UHFFFAOYSA-N 404.491 4.595 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1C 408678970 GSRAVUKIMKPMIM-SFHVURJKSA-N 424.522 4.510 0 40 HJAB O=C(c1cccc(Cl)c1)N1CCC(F)(F)[C@]2(CCN(c3cccc(F)c3)C2)C1 2055803663 BALPBJJDWHVCNG-FQEVSTJZSA-N 408.851 4.857 0 40 HJAB Cc1c(Cl)cccc1NC(=S)NC(=O)COc1ccc(Cl)cc1Cl 724438 RANUPRWLTWQRJY-UHFFFAOYSA-N 403.718 4.847 0 40 HJAB C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)Nc1ccccc1 873433 RUMXTRTXVFLZPR-NSHDSACASA-N 404.289 4.618 0 40 HJAB O=C(COC(=O)c1ccccc1Br)Nc1cccc(Cl)c1Cl 1973162 PCRWKDICKXJTSO-UHFFFAOYSA-N 403.059 4.551 0 40 HJAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)OCC(=O)c1ccc(F)cc1 2258068 RBBOSJGQRLCXOI-UHFFFAOYSA-N 405.425 4.697 0 40 HJAB CC(=O)n1cc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)c2ccccc21 2414518 QIDRGEGXYRVNOW-FMQZQXMHSA-N 400.768 4.578 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2cccc3ccccc23)nc2ccccc2c1=O 2634760 YTGHXLVLMCDPRL-UHFFFAOYSA-N 417.534 4.937 0 40 HJAB C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)NCCC1=CCCCC1 2642610 BSQPLPHWGHVZDG-CYBMUJFWSA-N 406.552 4.908 0 40 HJAB CCn1c(SCC(=O)c2cc(C)n([C@H](C)COC)c2C)nnc1-c1cccs1 3391653 POZUZAMRAWVWKJ-CQSZACIVSA-N 418.588 4.627 0 40 HJAB C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NC1CCCC1 3515055 IIDWWVGHTYSASX-MRXNPFEDSA-N 404.539 4.745 0 40 HJAB CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(Cl)cc3)N2C1=O 3636734 TVNNFVWEXUFPDQ-WBVHZDCISA-N 406.935 4.578 0 40 HJAB COc1cc2c(cc1NC(=O)c1nc3nc(C)cc(C(F)F)n3n1)oc1ccccc12 3645269 HVZSMAAOYPSEEN-UHFFFAOYSA-N 423.379 4.531 0 40 HJAB CC[C@@H]1CCCCN1Cc1cn2c(-c3ccc(Br)cc3)nnc2s1 4107101 FDYBHQHENKZHSI-OAHLLOKOSA-N 405.365 4.985 0 40 HJAB CCCCN(C)C(=O)C1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 4552828 ZEJRZIQXHULMIY-UHFFFAOYSA-N 424.585 4.745 0 40 HJAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4593060 WNJXBOGCYMJUMP-CKGZYPIWSA-N 423.553 4.840 0 40 HJAB CCCc1nc(NCCc2cccs2)c2nnn(Cc3ccccc3Cl)c2n1 4967305 CSJWVFPDNBOTQG-UHFFFAOYSA-N 412.950 4.592 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccc(Cl)cc1 5308962 AMZRLWFMUXYCIC-UHFFFAOYSA-N 404.898 4.797 0 40 HJAB CCOc1ccc(C(=O)C[C@@H](Sc2ccc(Br)cc2)C(=O)O)cc1 5408550 SZFNUOZHMOASOL-QGZVFWFLSA-N 409.301 4.666 0 40 HJAB O=C(c1ccc(OC(F)F)cc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 5936755 ZPHSAGVYUHEQMJ-HNNXBMFYSA-N 404.438 4.724 0 40 HJAB O=C(NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccc(F)c1 6251168 KDBKTBYNYKMBFJ-UHFFFAOYSA-N 400.287 4.869 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1C 6455931 FAMIPOKIENBYOF-UHFFFAOYSA-N 412.902 4.921 0 40 HJAB CCCCCNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 6596939 ZDHBCYVUQRAMSQ-UHFFFAOYSA-N 416.587 4.620 0 40 HJAB COc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccccc2)cc1OC 6818753 OMWKWANVVHJZPY-UHFFFAOYSA-N 423.538 4.547 0 40 HJAB Cc1cc(SCC(=O)c2cc3c4c(c2)CC(=O)N4CCC3)nc2c(C)cccc12 6880183 UAEASHRGHCSHPF-UHFFFAOYSA-N 402.519 4.662 0 40 HJAB Cc1cnc(NC(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)s1 7063947 OJFCKERUDMCLKF-UHFFFAOYSA-N 406.463 4.698 0 40 HJAB CCN(CC)Cc1ccc(CNC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1 7829058 ASDJQJMZOQANPF-UHFFFAOYSA-N 423.582 4.802 0 40 HJAB O=C(CCN1CCSC1=O)Oc1ccc(-c2ccc(Br)cc2)cc1 8367246 XVHPESDSSTVGLG-UHFFFAOYSA-N 406.301 4.580 0 40 HJAB Cc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C(=O)O)cc2)cc(C)c1O 8446630 MBYHTFWWCARYPC-KPKJPENVSA-N 412.445 4.577 0 40 HJAB O=C(NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(Cl)cc1 9113817 FUGNLDWMAZPINB-UHFFFAOYSA-N 415.927 4.781 0 40 HJAB Cc1ccc(C)c(C(=O)COC(=O)COc2ccc(C3SCCCS3)cc2)c1 9348988 IJBRIUCXGSHMIN-UHFFFAOYSA-N 416.564 4.977 0 40 HJAB Cc1c(C(=O)O)sc2nc3n(c(=O)c12)CC/C3=C\c1ccc(OCCC(C)C)cc1 9414858 MUFURFIVVFWTKT-FOWTUZBSSA-N 424.522 4.834 0 40 HJAB Cc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1NC(=O)c1ccco1 9429144 OUSVXKPRDYDRMQ-UHFFFAOYSA-N 423.557 4.759 0 40 HJAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cn(-c2ccccc2)nc1C 9517156 BZOJZLCMHAVMQP-NRFANRHFSA-N 423.314 4.641 0 40 HJAB Cc1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)c1 9724465 QLBKQPDNBKSNPQ-LBPRGKRZSA-N 417.332 4.662 0 40 HJAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCC[C@@H]1c1nc2ccccc2s1 9867914 BJYKEXGFUDQYFG-SXAWMYDMSA-N 406.507 4.835 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OC)c1OC 9973435 LHDNPQPTJNTDLZ-MHWRWJLKSA-N 419.477 4.943 0 40 HJAB COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1 10233179 LUOQIKKQMHXGGD-IBGZPJMESA-N 418.474 4.625 0 40 HJAB Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)n2)cc1C 10253548 SEFSRAUAHRRZSA-UHFFFAOYSA-N 414.552 4.861 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@H](OC(=O)[C@]2(C)CC2(Cl)Cl)c2ccccc2)c1 10863553 MFXZSSYDDKMMEH-XLIONFOSSA-N 420.292 4.696 0 40 HJAB Cc1ncccc1C(=O)N1CCC[C@H]1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1 12230355 DRLHORODRMABNG-KRWDZBQOSA-N 417.435 4.552 0 40 HJAB Cc1cccc(N2CCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)CC2)c1C 12517166 OQQRXFOQOZSHMK-UHFFFAOYSA-N 423.944 4.893 0 40 HJAB CCN(C(=O)CSc1nc(-c2ccccc2Br)n[nH]1)C1=CCCCC1 12800273 RCQAWKYQRSZQOQ-UHFFFAOYSA-N 421.364 4.633 0 40 HJAB Cc1nc(SCc2nc(N)nc(Nc3ccccc3C)n2)c2c(C)c(C)sc2n1 13113272 RGOPVXLXBIYEGY-UHFFFAOYSA-N 423.571 4.728 0 40 HJAB O=C(NC[C@H]1CCC[C@@H](CNC(=O)c2ccccc2Cl)C1)c1ccccc1Cl 13576431 LXTIPAQPOSISLR-IYBDPMFKSA-N 419.352 4.960 0 40 HJAB COc1cc(OC)cc(-c2sc3ccccc3c(=O)c2I)c1 13814792 RXXYDXOPEGFIHC-UHFFFAOYSA-N 424.259 4.550 0 40 HJAB CC(C)Oc1ccc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1 19450596 LTUHUMMRPGRIHN-DEOSSOPVSA-N 423.601 4.984 0 40 HJAB CCOCc1ccc(C(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)cc1 19531257 MGOQFAUQCDLATR-HSZRJFAPSA-N 416.525 4.669 0 40 HJAB CC(=O)Nc1ccc(Oc2cc(C)nc([C@@H]3CCCN(C(=O)C4CCC4)C3)c2)cc1 19570103 DCACIIOCWMRHGM-LJQANCHMSA-N 407.514 4.647 0 40 HJAB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccccc1Cl 19927859 NYZBARXXJGGPHH-UHFFFAOYSA-N 423.723 4.618 0 40 HJAB COc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2ccccc2C)cc1 24981436 VKQWJCITZPFIAL-SFHVURJKSA-N 417.509 4.545 0 40 HJAB Cc1cccc(CSc2nnc(Nc3cccc(Cl)c3)c(=O)n2-n2cccc2)c1 28535082 GWHBJECTMVQENV-UHFFFAOYSA-N 423.929 4.749 0 40 HJAB COC(=O)c1c(-c2cccs2)csc1NC(=O)COc1cccc(C)c1C 28540240 DFFOSKJGIXVFRL-UHFFFAOYSA-N 401.509 4.898 0 40 HJAB Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 31890912 MYUFBHZIIFMBNO-FQEVSTJZSA-N 424.863 4.695 0 40 HJAB C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)NC1CCCCCC1 32854546 BGBXSKIVBSZRDR-CYBMUJFWSA-N 410.634 4.574 0 40 HJAB O=c1cc(CSc2nc(-c3ccco3)nc3ccccc23)nc2ccc(Cl)cn12 32868689 KVYSMSOZWBBVMW-UHFFFAOYSA-N 420.881 4.843 0 40 HJAB CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 32961160 SYFMDGOSEIFOIZ-UHFFFAOYSA-N 404.289 4.660 0 40 HJAB CN(C)c1ccc(NC(=O)c2ccc(F)cc2Br)c(C(F)(F)F)c1 36391100 RADWILSHKPZVCN-UHFFFAOYSA-N 405.189 4.925 0 40 HJAB C[C@H](NC(=O)N(C)Cc1ccccc1OC(F)(F)F)c1ccc(-n2ccnc2)cc1 40068791 VKDVMAJMEYUDKE-HNNXBMFYSA-N 418.419 4.674 0 40 HJAB CCC[C@@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 44334543 DZBLNYYBCQNHBN-HSZRJFAPSA-N 407.535 4.932 0 40 HJAB CN(C(=O)c1cccc(NC(=O)NC[C@@H](C2CCCCC2)N(C)C)c1)c1ccccc1 58145965 WUBNLTGSXGNYGE-QHCPKHFHSA-N 422.573 4.595 0 40 HJAB O=C(c1ccccc1Cl)N1CCCN(Cc2csc(Br)c2)CC1 58401682 CHAJPRKPDXFUSZ-UHFFFAOYSA-N 413.768 4.512 0 40 HJAB C[C@H]([C@H]1CC[C@@H](C)CN1)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 70691659 IRRHFODGOMSPEE-XAIUJEHFSA-N 415.662 4.921 0 40 HJAB biogenic CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1[nH]nc(C2CC2)c1Br 71844374 GBZNRRJITPGESL-HZPDHXFCSA-N 402.336 4.848 0 40 HJAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(C[C@H](C)c2ccccc2)C1 72388974 FXAKAGBHVQPKDR-IDISGSTGSA-N 413.565 4.533 0 40 HJAB CCCCOc1ccc(NC(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1 77197749 IEVCVFBIJYQQQK-UHFFFAOYSA-N 412.412 4.679 0 40 HJAB C[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CCOCC2)c2ccccc21 95953229 UCGGIZIGYSHAAA-HNNXBMFYSA-N 400.316 4.648 0 40 HJAB C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 95987409 CBCAQTUVAPGZBX-LJQANCHMSA-N 416.525 4.581 0 40 HJAB Cc1ccc(CSc2nnc(CNC(=O)c3ccc(Cl)cc3Cl)n2C)cc1 107838654 DJFGPBGSTUMNDB-UHFFFAOYSA-N 421.353 4.653 0 40 HJAB O=C(NCc1ccc([C@H](O)c2ccccc2)s1)c1cccc(Br)c1 207970471 ZZROZLBTRYYXAN-GOSISDBHSA-N 402.313 4.522 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1Br 214324944 OOQKBTHZKQYXDX-CXUHLZMHSA-N 422.275 4.833 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222558108 ZVIQDRNGSJBQOB-NRFANRHFSA-N 400.950 4.605 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1Cc1ccco1 223354747 LPEVOTZMZACNFX-YADHBBJMSA-N 400.507 4.638 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(C(C)C)cc3)c2)c1 224077949 FZNHNNBOPLSGFU-UHFFFAOYSA-N 422.550 4.849 0 40 HJAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1 224114635 GDWFNADKNWBHMK-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB O=C(CCc1ccc(Cl)c(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1 225333958 AJVHVHNYJQNEDV-QPJJXVBHSA-N 403.353 4.784 0 40 HJAB O=C(NCc1cccc2ccccc12)NC[C@](O)(c1ccsc1)c1cccs1 244998721 KQWHWCOMLAYHLY-QFIPXVFZSA-N 408.548 4.698 0 40 HJAB CCOc1cc(C(=O)O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 408540605 UJDGWVWNNQGLEP-UHFFFAOYSA-N 408.450 4.950 0 40 HJAB CC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 408706952 FOXVGZLRTLYBIV-HPUBIQBYSA-N 410.480 4.779 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1C1CCCCC1 793598 PXCUXXQQXFOWJK-UHFFFAOYSA-N 423.380 4.839 0 40 HJAB Nc1c(C(=O)NCCc2ccccc2Cl)sc2nc(-c3ccncc3)ccc12 803906 IGMCTDATEQKAFN-UHFFFAOYSA-N 408.914 4.566 0 40 HJAB CC(C)(C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 865924 CMXCWUCIFUSPMD-PSASIEDQSA-N 406.861 4.787 0 40 HJAB Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1 2255241 SJBGRDLTAGYTNG-RPWUZVMVSA-N 410.452 4.938 0 40 HJAB CSc1nc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)cc2s1 3435219 CIBJDUSDCQTAJQ-AWEZNQCLSA-N 411.552 4.627 0 40 HJAB O=C(CN1CCCCC1)c1ccc2oc3ccc(C(=O)CN4CCCCC4)cc3c2c1 3650441 KDZZFEURDNNBAZ-UHFFFAOYSA-N 418.537 4.923 0 40 HJAB COc1cc(C(=O)Oc2ccc(C=CC(=O)c3ccccc3)cc2)cc(OC)c1OC 4267821 NFHOLRLDJCPSSR-UHFFFAOYSA-N 418.445 4.828 0 40 HJAB biogenic Cc1cc(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)c(C)n1C1CC1 5359549 KVDDTEIKDQPXDZ-UHFFFAOYSA-N 401.677 4.835 0 40 HJAB C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 6177904 NSIGMDIEDAHRHR-KRWDZBQOSA-N 415.449 4.722 0 40 HJAB CCOC(=O)c1sc2ncn3nc(CC45CC6CC(CC(C6)C4)C5)nc3c2c1C 6463782 YYKLMKDPLQBOEG-UHFFFAOYSA-N 410.543 4.583 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c(C)c1 6582491 BRRHYCBIPSVPFM-UHFFFAOYSA-N 413.477 4.746 0 40 HJAB CCOC(=O)Cc1c(C)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2c1C 6809405 KMRSNILXPNHPRZ-UHFFFAOYSA-N 411.811 4.791 0 40 HJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 7382121 FJWBYDINFUVWLJ-HXUWFJFHSA-N 406.448 4.520 0 40 HJAB O=C(Nc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 7505247 KBLGCSUHVJLQFR-UHFFFAOYSA-N 410.879 4.594 0 40 HJAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cccc(Cl)c1C 7615940 WXBWSOXSRSUWFK-UHFFFAOYSA-N 409.916 4.841 0 40 HJAB Cc1ccc(Nc2nc(CSc3nnnn3Cc3cccs3)cs2)cc1 8025587 LYAYVZYDXRMRLS-UHFFFAOYSA-N 400.558 4.584 0 40 HJAB O=C(CCCc1nc2ccccc2s1)Nc1cc(Cl)ccc1N1CCOCC1 8194416 MSTVMBBYPQIMJB-UHFFFAOYSA-N 415.946 4.748 0 40 HJAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 8390344 JZJNKQHDJKRHFD-JOCHJYFZSA-N 415.445 4.554 0 40 HJAB COc1ccc(NC(=O)Cc2csc(SCc3ccc(F)cc3)n2)c(OC)c1 8854123 RVOVDBHLIHFVFB-UHFFFAOYSA-N 418.515 4.773 0 40 HJAB Cc1ccc(NC(=O)Cc2nc(COC(=O)c3c(F)cccc3Cl)cs2)cc1 9508103 OYWGLNPNUNKQCG-UHFFFAOYSA-N 418.877 4.782 0 40 HJAB CCOc1ccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1 9727463 CKUHXKYAMQFRMR-UHFFFAOYSA-N 419.300 4.873 0 40 HJAB COc1ccc(OCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 10692429 OFMDGDNFSFVBTC-JOCHJYFZSA-N 400.478 4.504 0 40 HJAB CCCOc1cc(Nc2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)nc(C)n1 11027696 XZKRQNMWGMGVPI-UHFFFAOYSA-N 406.486 4.507 0 40 HJAB Cc1ccc(CN(C(=O)COc2ccc(Br)cc2)c2ccccn2)cc1 11914549 PPNLTMCRRNGIFI-UHFFFAOYSA-N 411.299 4.765 0 40 HJAB COC(=O)c1ccc(C)c(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)c1 12817882 URKFCJBCKGEHES-UHFFFAOYSA-N 407.451 4.607 0 40 HJAB O=C(/C=C/c1c(F)cccc1Cl)OCC(=O)N1CCC(Cc2ccccc2)CC1 12924973 WKCHLWZMTGMYAA-MDZDMXLPSA-N 415.892 4.517 0 40 HJAB O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)Nc1ccc(F)c(F)c1 13149475 UITBUWYSPLSKFS-UHFFFAOYSA-N 413.471 4.811 0 40 HJAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1nc2ccccc2s1)OCO3 13503611 OHLWNTGYSTXFLP-UHFFFAOYSA-N 423.519 4.866 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 20151616 ZMIOSOPPMCFXOI-UHFFFAOYSA-N 414.914 4.782 0 40 HJAB N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)c2c(-c4ccc(Cl)cc4)ccc(=O)n2C3)c1 20503387 HKOICLYLDHQRAQ-PZJWPPBQSA-N 415.924 4.660 0 40 HJAB biogenic,in-vitro CCOC(=O)c1cc2c3ccccc3n(C)c2nc1N1CCC[C@@H](C(F)(F)F)C1 22025142 PTKBWROYLVXLFP-CYBMUJFWSA-N 405.420 4.682 0 40 HJAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(Cc2cccc3ccccc23)CC1 22803572 RNBAIKXAUGFMFG-KRWDZBQOSA-N 404.539 4.830 0 40 HJAB CN(Cc1ccc(Br)s1)C(=O)CCC(=O)c1ccc2c(c1)CCC2 23637829 WDKWSFZLPWKXES-UHFFFAOYSA-N 406.345 4.621 0 40 HJAB CCOc1ncccc1CNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 31325850 JVCUUPCIHHWYOS-UHFFFAOYSA-N 417.440 4.871 0 40 HJAB CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1c(C)nc2ccccc2c1C 31464277 ORBXKSRTQWEPKN-UHFFFAOYSA-N 403.526 4.580 0 40 HJAB O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCC[C@@H](c2nnc3ccccn23)C1 32830477 UAHNZMLTQQFWEE-QGZVFWFLSA-N 423.476 4.557 0 40 HJAB COc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)no1 33327367 BWYPBQQFKNAEDR-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB COc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1ccc(F)cc1 33778841 YOBMBXRUWUWTJM-UHFFFAOYSA-N 424.335 4.947 0 40 HJAB O=C(NCCSCc1ccccc1F)C1CCN(Cc2ccc(Cl)cc2)CC1 39772400 DNGQKXZBOWIACQ-UHFFFAOYSA-N 420.981 4.741 0 40 HJAB O=C(CN1C(=O)CCOc2ccccc21)Nc1ccccc1Sc1ccccc1 40033931 SIKSKXIBULWBEF-UHFFFAOYSA-N 404.491 4.592 0 40 HJAB COc1ccc(NC(=O)N2CCC(CN3CCCCCC3)CC2)c(C(F)(F)F)c1 40121819 XKNCCAJKCFHUAS-UHFFFAOYSA-N 413.484 4.834 0 40 HJAB CC(=O)Nc1ccc(NC(=O)NCCOc2ccc(Cl)cc2)c(C(F)(F)F)c1 43950442 YAHOWVMIFWCBPY-UHFFFAOYSA-N 415.799 4.518 0 40 HJAB Cc1nc(-c2cccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)c2)cs1 48325803 NDEOCEOUBKLGFT-FQEVSTJZSA-N 408.527 4.727 0 40 HJAB COc1ccccc1-c1noc(-c2cn(-c3ccc(F)cc3)c(=O)c3ccccc23)n1 67245362 LOOWAKKBPCZEBO-UHFFFAOYSA-N 413.408 4.855 0 40 HJAB COc1c(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)sc(C)c1Br 78939024 OCGZHBYUUPBUHB-LLVKDONJSA-N 420.332 4.504 0 40 HJAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccc2ccn(Cc3ccccc3)c2c1 79188927 OXWBMBBPEHDIFG-BJKOFHAPSA-N 401.554 4.684 0 40 HJAB biogenic CC1CCC(N(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C2CC2)CC1 84689295 YHTMVTWYWKXROF-IPCDKGFNSA-N 402.966 4.762 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 222955412 SCXMZVWYUPSPQS-RUZDIDTESA-N 414.549 4.762 0 40 HJAB CCN(c1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1)S(C)(=O)=O 224217478 ZAQVDZSJNBIZQB-UHFFFAOYSA-N 408.479 4.624 0 40 HJAB Cc1ccc(OCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c(C)c1 224549933 FALXMAHFKXISFS-UHFFFAOYSA-N 418.940 4.503 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 224972356 YGTYBFZXAPUKPI-JOCHJYFZSA-N 414.977 4.505 0 40 HJAB Cc1ccccc1C(=O)NC(=S)Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl 226355757 GWLQDGFXRPSLOA-UHFFFAOYSA-N 414.870 4.733 0 40 HJAB O=C(C1CCCC1)N1CCO[C@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 257213353 CHESOLQEJYTTOW-NRFANRHFSA-N 418.459 4.781 0 40 HJAB CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1 408629268 TXKUBJMIMRCBMB-UHFFFAOYSA-N 401.938 4.523 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 408646748 UJRGEMIDXMIVGL-CYBMUJFWSA-N 421.722 4.657 0 40 HJAB Cc1ccc(-c2nnc(CN(C)C(=O)c3cccc(OCc4ccccc4)c3)o2)cc1 408714680 VAYLVOLQCWMPSL-UHFFFAOYSA-N 413.477 4.896 0 40 HJAB CCOc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)ccc1OC 408810531 TWHCCUFQRIQJTG-UHFFFAOYSA-N 403.911 4.819 0 40 HJAB Cc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1-c1ccc(F)cc1 409094203 BUBMLXHGBMPFSL-UHFFFAOYSA-N 411.289 4.752 0 40 HJAB COc1ccc([C@H](C)NC(=O)Nc2ccc3ncsc3c2)cc1Br 505622238 OSDJSMRVSARVCY-JTQLQIEISA-N 406.305 4.950 0 40 HJAB CC(=O)N1CC2=C(C1=O)[C@H](c1cccs1)c1cn(CC(C)C)c3cccc(c13)N2 524730797 XPVBNELNXXWMGE-NRFANRHFSA-N 405.523 4.559 0 40 HJAB biogenic Cc1cc(C)c(Cn2c(S(=O)(=O)Cc3ccccc3)nc3ccccc32)c(C)c1 679122 DLQQCHOPWXUFHT-UHFFFAOYSA-N 404.535 4.984 0 40 HJAB O=C(Nc1ccccc1)Oc1c(Cl)cc2oc(=O)sc2c1Br 711527 JNYMIZWCWAPLLF-UHFFFAOYSA-N 400.637 4.881 0 40 HJAB O=C(CSc1nnc2c(n1)[nH]c1ccc(Cl)cc12)Nc1ccc(Cl)cc1 882872 GDYYKRUQXJWXLU-UHFFFAOYSA-N 404.282 4.544 0 40 HJAB O=C(N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccco1 985391 HSBTVZCQJJUQAV-LBPRGKRZSA-N 412.498 4.580 0 40 HJAB Cc1ccc(C(=O)N/C(=C/c2cn(C)c3ccccc23)C(=O)NCc2ccccc2)cc1 2353392 JXPYFJCQWJUOQT-LFVJCYFKSA-N 423.516 4.574 0 40 HJAB CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C)c3)cc12 2497200 UONRNFORDIUHPE-UHFFFAOYSA-N 407.875 4.681 0 40 HJAB CCOC(=O)c1c(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)sc(C)c1C 2498160 NZMXZNGSJCXGPN-CYBMUJFWSA-N 404.532 4.933 0 40 HJAB COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)cc1Cl 2620737 GKSAAYYSSFBKKN-UHFFFAOYSA-N 423.852 4.603 0 40 HJAB COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c(OC)c1 2627391 UGOXOQJIAIXRLM-UHFFFAOYSA-N 405.479 4.870 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(c1cc(C)on1)C3=O 2703591 NWKIKNXLCWAHNE-IBGZPJMESA-N 406.825 4.801 0 40 HJAB C[C@H](OC(=O)c1ccc(Cl)cc1N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3275013 ONKFFUTYLNFOJD-QMMMGPOBSA-N 421.202 4.778 0 40 HJAB COc1cc(OC)cc(C(=O)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)c1 3400663 NUELJEBPBPSOCJ-UHFFFAOYSA-N 402.402 4.696 0 40 HJAB COc1ccc(CN2C[C@@H]3C[C@H](C2)c2c(-c4ccc(Cl)cc4)ccc(=O)n2C3)cc1 4237520 HOXBLNZFQKFWKV-AZUAARDMSA-N 420.940 4.797 0 40 HJAB biogenic,in-vitro O=C(COc1ccccc1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 4273317 AJJRMLUAQILCEO-UHFFFAOYSA-N 411.433 4.582 0 40 HJAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 4517726 DSCKGGNROJXPHB-UHFFFAOYSA-N 408.504 4.619 0 40 HJAB CCCCCCOc1ccccc1/C=c1/sc2nc(-c3ccc(C)cc3)nn2c1=O 5478047 SMWNYJNNTFHGLL-LTGZKZEYSA-N 419.550 4.633 0 40 HJAB O=C(Nc1ccccc1F)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 5773393 LRVBMEGKSNCXOG-QHCPKHFHSA-N 406.482 4.852 0 40 HJAB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)c1 5875310 UYZDSFUMNYQFON-OAHLLOKOSA-N 413.543 4.585 0 40 HJAB COc1cccc(NC(=O)[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)c2ccccc2)c1 6421215 HQGKAQAYZOPAPF-DEOSSOPVSA-N 415.445 4.869 0 40 HJAB Cc1cc(I)cnc1NC(=O)c1ccc(Cl)c(Cl)c1 6572477 AOOSEAKYVLVARY-UHFFFAOYSA-N 407.038 4.554 0 40 HJAB C[C@@H](OC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc(N(C)C)cc1 6623082 NSNNKSBLVRYDOH-QGZVFWFLSA-N 404.466 4.729 0 40 HJAB C[C@@H]1CCCN(CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2)C1 6670412 OIHFFRCFKVWSAP-OAHLLOKOSA-N 410.901 4.784 0 40 HJAB Cc1cc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)no1 6875733 YCGDUUJJIKNHJN-WOJBJXKFSA-N 409.511 4.620 0 40 HJAB COc1ccc(CCN(C)[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1OC 7390283 NQBXURLLUYOYQZ-LJQANCHMSA-N 418.537 4.872 0 40 HJAB C[C@@H](Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)c1ccccc1 7843471 SJMQIKGSPBMDPN-MRXNPFEDSA-N 413.568 4.768 0 40 HJAB CC(=O)N[C@@H](CC(=O)Nc1c(-c2cccs2)nc2cc(C)ccn12)c1ccccc1 8013125 IUQKSGWCLDGQBC-SFHVURJKSA-N 418.522 4.577 0 40 HJAB O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc(-c2ccccc2F)o1 9244489 WIPQDUFBMSVFEP-UHFFFAOYSA-N 418.218 4.872 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@H](NCc1ccc(CN2CCCC2)cc1)c1ccccc1 9503027 PSFJIJNVBUGJGH-RUZDIDTESA-N 417.528 4.891 0 40 HJAB Cc1c(CC(=O)O)c(=O)oc2cc3occ(-c4ccc(Br)cc4)c3cc12 11691931 AGHVEDXIHRKCTB-UHFFFAOYSA-N 413.223 4.904 0 40 HJAB biogenic CN(Cc1ccsc1)C(=O)/C=C/c1ccc(OCc2cn3ccccc3n2)cc1 12601169 LIAZKQBICZIHHG-JXMROGBWSA-N 403.507 4.647 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2c(F)cccc2Cl)c1 12975413 NRYXIMOZXFCUOJ-UHFFFAOYSA-N 418.925 4.757 0 40 HJAB CC(C)c1nnc(S[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)n1C1CC1 12995661 GGFJFVSTLZMBOT-KRWDZBQOSA-N 412.603 4.698 0 40 HJAB CCn1nc(C)cc1C(=O)N(Cc1ccccc1)c1nc2cc(OC)ccc2s1 13699817 ZTBOUTIMVXXMBU-UHFFFAOYSA-N 406.511 4.677 0 40 HJAB CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716116 KKIQVPOFBFTSAN-NRFANRHFSA-N 402.560 4.610 0 40 HJAB CC(C)COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 13946192 MUEDQGVJSGTTGM-UHFFFAOYSA-N 404.445 4.847 0 40 HJAB COc1ccc(CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)Cc2cccs2)cc1 14903583 MWQVNNZWZHCSOC-GOSISDBHSA-N 409.551 4.968 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](C)N(C)C2CCCCC2)sc2c1CC[C@H](C)C2 15911528 JAENTPXHDYDHRN-LSDHHAIUSA-N 406.592 4.641 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(C[C@H]2CC=CCC2)C1)c1cccc(F)c1 19400466 QOWLDWRIHCBQLS-LEEZEASISA-N 407.533 4.760 0 40 HJAB CCOc1ccccc1NC(=O)c1nnc2c(-c3cccc4ccccc34)cnn2c1C 19817187 DZVVCERBUJTPGX-UHFFFAOYSA-N 423.476 4.904 0 40 HJAB Cn1c(-c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc23)nc2ccccc21 19877699 SFXKACWIHBMEMZ-UHFFFAOYSA-N 404.477 4.769 0 40 HJAB Cc1ccc(C)c(NC(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)c1 21156647 MEPLJXAXTYNZJG-UHFFFAOYSA-N 414.465 4.534 0 40 HJAB O=C(Nc1ccccc1NS(=O)(=O)c1cccs1)c1cc(Cl)ccc1F 23172683 GKQCVPXVEHRSPN-UHFFFAOYSA-N 410.879 4.594 0 40 HJAB O=c1[nH]c(CN2CCCC[C@@H]2c2nc3ccccc3s2)nc2cc(Cl)ccc12 23908566 YMMNNCGYLMWISD-QGZVFWFLSA-N 410.930 4.913 0 40 HJAB O=C(OCc1noc(-c2ccco2)n1)c1cc(-c2cccs2)nc2ccccc12 23949901 ATGCBLPHACWNMI-UHFFFAOYSA-N 403.419 4.963 0 40 HJAB Cc1ccc(CN(C)C(=O)CSc2nnc(Nc3ccc(C)c(Cl)c3)s2)o1 24506672 PMAVBKJNAMVNGR-UHFFFAOYSA-N 422.963 4.896 0 40 HJAB COc1ccc(-c2cc(NC(=O)c3ccc(OC)nc3)ccc2OC(F)F)cc1 27012734 UKRLNUCFNKHFEP-UHFFFAOYSA-N 400.381 4.620 0 40 HJAB Cc1csc(NC(=O)c2ccc(Oc3ccc(F)cc3Br)nc2)n1 40140202 QBYQGEQJMGTELT-UHFFFAOYSA-N 408.252 4.793 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(Br)cc2C)cc1 41794450 RRYBZAOJNCNEPC-UHFFFAOYSA-N 417.332 4.626 0 40 HJAB COc1ccc(-c2noc(-c3ccc(NC(=O)c4cccc(OC)c4)cc3)n2)cc1 46018755 YYTUKZVZOWGPFM-UHFFFAOYSA-N 401.422 4.673 0 40 HJAB CCCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2ccsc2c1=O 57426381 YHVFYRNPXVHHLW-UHFFFAOYSA-N 415.584 4.914 0 40 HJAB O=C(c1[nH]nc(C2CC2)c1Br)N(Cc1c(F)cccc1Cl)C1CC1 65518982 NHVYDKFTIXMWQX-UHFFFAOYSA-N 412.690 4.647 0 40 HJAB COc1cc(C)c(NC(=O)NC2(c3ccc(Br)cc3)CCC2)cc1OC 65575595 VXHBYYGONAYDBT-UHFFFAOYSA-N 419.319 4.976 0 40 HJAB Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1 67259389 GKJSYMRTCWFONH-UHFFFAOYSA-N 416.502 4.774 0 40 HJAB COc1ccccc1Cc1cccc([C@@H]2CCCN2Cc2ccc(NC(C)=O)cc2)n1 72358115 IKENOUOBJCEGSY-VWLOTQADSA-N 415.537 4.977 0 40 HJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2cccc(C)c2)no1 95482495 NSSJXYLOEOSNNY-FQEVSTJZSA-N 407.514 4.816 0 40 HJAB Cc1cccc(CN(C(=O)CCSc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 222714950 MZIWBBGNHJGIQV-LJQANCHMSA-N 412.599 4.809 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1C1CCCCC1 223082671 CASZLBYITJZOKT-YADHBBJMSA-N 403.555 4.573 0 40 HJAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1C 223383616 ANVAFJIFWFSBCG-KRWDZBQOSA-N 405.560 4.792 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C 223710760 XMQSTWPWBHKUCQ-QHCPKHFHSA-N 408.586 4.611 0 40 HJAB Oc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224177019 UBZOBCWDZBFFMD-DHIUTWEWSA-N 412.518 4.755 0 40 HJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 224194886 MYPNZDDRULSPKZ-DHIUTWEWSA-N 411.534 4.753 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 224581443 TUQLMLRTDHFPII-XMMPIXPASA-N 408.586 4.734 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 224702078 KCSYVORCBCBVIA-NRFANRHFSA-N 418.940 4.601 0 40 HJAB Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(I)c1 225014294 JDTCZNRMQZELFF-UHFFFAOYSA-N 419.306 4.695 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCCSCc2ccc(F)cc2)c1 225615853 IJHUCOHUXFPTAE-UHFFFAOYSA-N 406.548 4.612 0 40 HJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(I)cc1 225812041 SBNXJMWCKPUDNZ-ZDUSSCGKSA-N 421.278 4.576 0 40 HJAB COc1ccc(C2(NC(=S)Nc3ccc(N4CCCC4=O)c(C)c3)CCCC2)cc1 225869538 HZXAGMMWCVOLDC-UHFFFAOYSA-N 423.582 4.886 0 40 HJAB CCOc1cc(C(=O)O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408550660 GBWKJQHBFPZWPN-UHFFFAOYSA-N 418.660 4.761 0 40 HJAB CCOc1ccccc1N(Cc1cccc(C)c1)S(=O)(=O)c1ccc(OC)cc1 408624089 FHAVLKLKOBYDQK-UHFFFAOYSA-N 411.523 4.798 0 40 HJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)c(OC)c(OC)c3)S2)cc1 408768933 MJDNZNXPFWBOLQ-OWMRDYPQSA-N 404.919 4.519 0 40 HJAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O 409156195 QZFAIAURPXGREY-CXUHLZMHSA-N 421.305 4.977 0 40 HJAB Cc1ccc2c(c1)nc(CNC(=O)N1CCc3sccc3[C@H]1c1cccs1)n2C 555193890 QUFFYLQFVCKWMI-NRFANRHFSA-N 422.579 4.862 0 40 HJAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)CC(C)(C)C)CC2)C1 643570390 CKPYXRXYWGBBLO-UHFFFAOYSA-N 400.607 4.769 0 40 HJAB COc1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)cc1OC 661660 WBPUHYXGYIVAGY-UHFFFAOYSA-N 423.469 4.954 0 40 HJAB COc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc3ccccc3oc2=O)cc1 1330118 GWDSOKFVEWNHOV-UHFFFAOYSA-N 417.436 4.783 0 40 HJAB O=C(c1cccc(Cl)c1)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 1359049 JJKJCUOTOVBNPL-UHFFFAOYSA-N 421.859 4.558 0 40 HJAB COc1ccc(-c2ccnc3nc(SCc4c(F)cccc4Cl)nn23)cc1 1390945 ABCFZGHLNUJFES-UHFFFAOYSA-N 400.866 4.885 0 40 HJAB C[C@@H](O)CNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 2388823 JGHSMYUMZVAXTQ-CYBMUJFWSA-N 420.538 4.551 0 40 HJAB CCCOC(=O)c1ccc(Oc2coc3cc(OC(=O)C(C)C)ccc3c2=O)cc1 2414466 GIUNHXFLMYUGJO-UHFFFAOYSA-N 410.422 4.714 0 40 HJAB biogenic Cc1ccc(-n2c(SCC(=O)N3CCCC[C@@H]3C)nnc2-c2ccccc2)cc1 2653708 LIFPADDCYPGDGN-SFHVURJKSA-N 406.555 4.736 0 40 HJAB Cc1c(NC(=S)n2c3ccccc3c3ccccc32)c(=O)n(-c2ccccc2)n1C 3170865 ZLIWYHKSSQEXIU-UHFFFAOYSA-N 412.518 4.837 0 40 HJAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(OC(F)F)cc1 3271943 PBFPTAKIPXECGQ-UHFFFAOYSA-N 413.376 4.876 0 40 HJAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCc3nnc(-c4cccs4)o3)c2C1 3535919 PMFUEXWBXBGGLH-ZDUSSCGKSA-N 405.479 4.828 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 3562796 CVMPCCPSSTUQRD-UHFFFAOYSA-N 400.906 4.762 0 40 HJAB CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(C)(C)OC3 4600022 HAUSCXUAFCFPHH-UHFFFAOYSA-N 400.569 4.860 0 40 HJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1ccc(Cl)cc1F 5753598 XUMSXYZEEQXBIV-UHFFFAOYSA-N 412.848 4.702 0 40 HJAB Fc1ccc(-c2nnc(CSc3nnc(C4CC4)n3Cc3ccccc3)o2)cc1 6559035 MNKIBJBIYDNGPV-UHFFFAOYSA-N 407.474 4.685 0 40 HJAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(C)cc2)C(=O)O)[nH]1 7342183 DVSATTRKGISTFY-SXGWCWSVSA-N 401.875 4.660 0 40 HJAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc(OC)c1OC 7883973 YTRYDHRIIPLVQA-XMMPIXPASA-N 418.493 4.788 0 40 HJAB O=C(CCOc1ccccc1)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 8008839 ROESMRNYZMASPS-DEOSSOPVSA-N 408.425 4.946 0 40 HJAB COC(=O)c1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccs4)=NN23)cc1 9590849 ZTZWOMJFTTYCFR-GCJKJVERSA-N 420.490 4.786 0 40 HJAB Fc1ccc(-c2nc3c4ccccc4nc(SCCN4CCCCC4)n3n2)cc1 10157694 NXLHGNLEKCIVBX-UHFFFAOYSA-N 407.518 4.662 0 40 HJAB O=c1[nH]c(CSc2ccc3c(c2)OCCCO3)nc2scc(-c3ccco3)c12 12781232 DLMWXODDCOARCH-UHFFFAOYSA-N 412.492 4.698 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 14636286 ZHKIHFBDERKUEA-JOCHJYFZSA-N 406.482 4.938 0 40 HJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 14665376 IQOMPMCKXATVQK-KRWDZBQOSA-N 420.509 4.913 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc2cccnc2n(Cc2ccccc2)c1=O 15883307 GXZUCZOJVRVUEI-UHFFFAOYSA-N 423.394 4.716 0 40 HJAB O=C(c1cccc(F)c1F)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 19376530 PNKNKAFHHUBBNI-UHFFFAOYSA-N 420.419 4.583 0 40 HJAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(Cc4ccncc4C)C3)cc2N1 19500878 RWCYJNURQPBREZ-ZHALLVOQSA-N 407.484 4.664 0 40 HJAB CCC[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3cccc(C)c3)N2C1=O 21936334 PVVDJYUKFFFNRS-HNAYVOBHSA-N 420.538 4.514 0 40 HJAB O=C1c2cccc3cccc(c23)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 24634384 ZLFHCKKYGYGBCO-UHFFFAOYSA-N 411.427 4.599 0 40 HJAB Cc1ccc(-c2cnc(CCC(=O)NCc3ccc(OCC(F)(F)F)cc3)o2)cc1 25149613 JBRIGEUXUVRKAV-UHFFFAOYSA-N 418.415 4.840 0 40 HJAB CCCCN1CCc2c(sc(NC(=S)Nc3ccccc3)c2C(=O)OCC)C1 27531044 PYKXGEOTEPTVBG-UHFFFAOYSA-N 417.600 4.892 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Br)cc1Cl 27978627 LTPUCMIUWCSEEL-CQSZACIVSA-N 412.667 4.627 0 40 HJAB Cc1ccc(C(=O)CN(C2=NCCCS2)c2ccc(Br)cc2)cc1 28527670 JGBHTBRCGKSTEK-UHFFFAOYSA-N 403.345 4.940 0 40 HJAB Cc1ccc(-n2c(S[C@H](C)c3nc(-c4ccco4)no3)nnc2N2CCCC2)cc1 29740096 AKFHGHCAVKPORS-OAHLLOKOSA-N 422.514 4.672 0 40 HJAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)ccc2c1 32716678 SIQYGDSQNVPJJV-LJQANCHMSA-N 417.553 4.651 0 40 HJAB Fc1ccccc1COc1ccccc1C(=S)N1CCN(Cc2ccccc2)CC1 33404477 LSAADUYGRFPOEY-UHFFFAOYSA-N 420.553 4.898 0 40 HJAB Cc1cc(-c2cc(C(=O)N[C@@H](C)c3ccccn3)c3cnn(C(C)C)c3n2)c(C)o1 48272713 CLPRRBASBBHDTM-HNNXBMFYSA-N 403.486 4.775 0 40 HJAB COc1cc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc23)cc(OC)c1 49005284 UTOJYQDCZYYWLQ-INIZCTEOSA-N 420.513 4.714 0 40 HJAB CN(C)Cc1ccc(CNC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 58158863 JTEFBNDEGJGIIA-UHFFFAOYSA-N 417.513 4.714 0 40 HJAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)c1 59227351 DEFYOGMGQFDPDD-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB Cc1ccc(-c2nc3c4ccccc4n(Cc4ccc(Cl)cc4)c(=O)n3n2)cc1 65534797 ICKPAOBJOGHEFR-UHFFFAOYSA-N 400.869 4.721 0 40 HJAB Cc1ccc(NC(=O)c2cnc3c(cnn3C3CCCC3)c2)c(OC[C@H]2CCCO2)c1 69949173 JGMFKRQZQKEUIB-HXUWFJFHSA-N 420.513 4.665 0 40 HJAB Cc1ccc(Nc2nccc([C@H]3CCCN(Cc4ccc5ncccc5c4)C3)n2)nc1 72377989 CALLHRKSGJFUSK-NRFANRHFSA-N 410.525 4.851 0 40 HJAB Cc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 96114648 ZOSOHNRDDARFGM-QGZVFWFLSA-N 414.413 4.621 0 40 HJAB biogenic C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118934459 JIAQXWKDZDJACF-RPKYOAFDSA-N 418.574 4.867 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 222822337 FSWHODNSVQNTET-HNNXBMFYSA-N 421.368 4.868 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 222846865 GVKBRIHFRLVICN-OAHLLOKOSA-N 421.368 4.868 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C 224178726 SJXYDSSAMJVZEF-JOCHJYFZSA-N 424.585 4.615 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 224771797 JMPJHAMHNNSSDD-GOSISDBHSA-N 400.950 4.525 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 225090361 ZMRLWNUFXQSVOT-RTWAWAEBSA-N 424.585 4.829 0 40 HJAB S=C(NCc1nc(-c2cccc(Br)c2)no1)Nc1ccccc1Cl 225825056 GXJYQVGJPLLPLN-UHFFFAOYSA-N 423.723 4.639 0 40 HJAB NC(=O)c1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 226340094 GHKYNHOUHCUOEV-UHFFFAOYSA-N 419.500 4.543 0 40 HJAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(Cn5cccn5)cc4)OCC[C@@]31C2 257334857 YHQZMTPWYVZBES-IRAZMCGKSA-N 421.585 4.730 0 40 HJAB O=C(NCCc1ccc(F)cc1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257340736 ZHIKYZWBFIKFGF-UHFFFAOYSA-N 418.512 4.586 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NC[C@H]1CCCO1 408562572 BROYPPWMFBIBQZ-XAVKZTDYSA-N 419.308 4.554 0 40 HJAB CCOC(=O)N[C@@H](CC(=O)Nc1cc(C)c(C)cc1Br)c1ccccc1 408981213 VIJYCHZQRGJAOE-KRWDZBQOSA-N 419.319 4.882 0 40 HJAB CCCCCN1C(=O)S/C(=C\c2cc(OCC)c(O)cc2Br)C1=O 409212150 PNVLOOARTWSDPR-DHDCSXOGSA-N 414.321 4.780 0 40 HJAB Cc1ccccc1/C=C1/SC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O 409227693 ZVWNXBWTOFZBIB-LICLKQGHSA-N 416.296 4.677 0 40 HJAB CC(C)CN(CC(=O)O)C(=O)c1ccc2c(c1)C[C@](C)(Cc1ccc(C(C)C)cc1)O2 585267642 RDDUQZGGHWCRTG-SANMLTNESA-N 423.553 4.929 0 40 HJAB Cc1ccc(OCCNC(=O)c2cc(C(C)(C)C)nn2Cc2ccc(F)cc2)cc1C 2037845971 PIJCIJQPAKKKJI-UHFFFAOYSA-N 423.532 4.794 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 670739 VXDCUZXLPVOMIS-UHFFFAOYSA-N 408.523 4.636 0 40 HJAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc3c4c(cccc24)CC3)NC(=O)N1C 727084 GIJFTDWCGSVFKV-XMMPIXPASA-N 411.505 4.856 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)n1-c1cccc(Cl)c1)N1CCCCC1 899842 BBABNMXIENCZRC-UHFFFAOYSA-N 412.946 4.692 0 40 HJAB CCCc1nc2ccc(NC(=O)c3ccco3)cc2c(=O)n1Cc1ccccc1Cl 930763 PINGIIQKCYHWHJ-UHFFFAOYSA-N 421.884 4.896 0 40 HJAB COC(=O)c1cccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1 991296 CEMKFBKJDYVGMU-UHFFFAOYSA-N 419.047 4.887 0 40 HJAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc(Cc3cccs3)nc3ccccc23)C1 1342833 SGORSFNEAJAJHL-IYBDPMFKSA-N 411.596 4.879 0 40 HJAB CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c12 2091593 CUKDKMRDLGAYAT-FQEVSTJZSA-N 417.502 4.509 0 40 HJAB biogenic CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)c4c(C)nn(C(C)=O)c4C[C@H]32)C1 2116320 DLCTVKXJNPOKCT-SHNLOOGUSA-N 412.574 4.840 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 2449583 HLYCIMMURFRJJU-UHFFFAOYSA-N 418.522 4.934 0 40 HJAB COc1cccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c1 2450749 ANYRUAHOHZFQMK-UHFFFAOYSA-N 410.543 4.519 0 40 HJAB O=C(COC(=O)CC(c1ccccc1)c1ccccc1)NCc1ccc(Cl)cc1 3312574 KTMNXELORYZTQF-UHFFFAOYSA-N 407.897 4.722 0 40 HJAB COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1 3327161 HRMADWOJBNEYAN-JOCHJYFZSA-N 424.522 4.954 0 40 HJAB CCCCCOc1cccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 4194637 GJEFCEQPNLJJGY-UHFFFAOYSA-N 418.540 4.521 0 40 HJAB CCN(CC)C(=O)Oc1ccc2c(C)c(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 4340245 ZLTZYMFXVJKLIA-UHFFFAOYSA-N 411.454 4.626 0 40 HJAB biogenic COc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(C)c(C)c3)n3ccccc23)cc1 4585233 PJAHRXDKRBRIAQ-UHFFFAOYSA-N 413.477 4.630 0 40 HJAB COc1ccc(CN2CCC(Nc3ccc(Br)cc3)CC2)cc1OC 4749419 ICOIQKGYUHTWPW-UHFFFAOYSA-N 405.336 4.543 0 40 HJAB COc1ccc(-c2cc3nccc([C@H]4CCCN(C(=O)OC(C)(C)C)C4)n3n2)cc1 5007083 XZOUUKABMVDPDR-KRWDZBQOSA-N 408.502 4.519 0 40 HJAB C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 6285314 QZMPLNCRGHCGQP-IBGZPJMESA-N 417.509 4.755 0 40 HJAB CCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)cc1 6569757 HSEVXAKZZJRNSO-UHFFFAOYSA-N 414.527 4.779 0 40 HJAB COc1ccccc1Nc1nnc(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)s1 6650460 YBJBOEXIGFMSDN-KBUPBQIOSA-N 420.604 4.712 0 40 HJAB CCOc1ccc([C@@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc1OC 6679000 LEOHBXVJNULNFO-BTYIYWSLSA-N 423.538 4.751 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(C)cc2C)n1C 6710488 KNOJYDQIWJBPSO-UHFFFAOYSA-N 424.570 4.613 0 40 HJAB Cc1cccn2c(=O)cc(CSc3nnc(-c4ccco4)n3C3CCCCC3)nc12 7090508 ZXTFVNASWVLNRY-UHFFFAOYSA-N 421.526 4.652 0 40 HJAB CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)Nc3ccccc3C)[nH]c(=O)c12 7672476 GQJDRWDPFFRHSC-LBPRGKRZSA-N 415.584 4.921 0 40 HJAB CC[C@H](C)c1ccccc1NC(=O)COc1ncnc2ccc(Br)cc12 7779897 MBZAOMAEAWKTGK-ZDUSSCGKSA-N 414.303 4.923 0 40 HJAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 7881879 ZGQNANCEEFUYNS-SNVBAGLBSA-N 413.688 4.647 0 40 HJAB Cc1cc(-c2csc(NC(=O)c3cnccn3)n2)c(C)n1CCc1ccccc1 7988358 VBFWINRLQQRWGF-UHFFFAOYSA-N 403.511 4.513 0 40 HJAB CCc1nc2ccccc2n1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 8013452 TUIKJVIWVIVCJP-UHFFFAOYSA-N 404.539 4.615 0 40 HJAB COc1ccc(S(=O)(=O)NCCSCc2cccc(Cl)c2)cc1C(C)C 8498354 PQBYVMFZXNUBAP-UHFFFAOYSA-N 413.992 4.684 0 40 HJAB CN(C)S(=O)(=O)c1ccc2oc(SC(c3ccccc3)c3ccccc3)nc2c1 9591178 WZJYVAYJQPMPPS-UHFFFAOYSA-N 424.547 4.960 0 40 HJAB Cc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 10220768 HUMKLZBXHIPDHA-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB COc1cccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1OC 10235655 OXMARMCIAMCTFM-UHFFFAOYSA-N 416.930 4.987 0 40 HJAB CCOc1cc(Nc2ccc(NC(=O)Nc3ccc(OC)c(OC)c3)cc2)nc(C)n1 11613272 ILEHXELEMOBPQR-UHFFFAOYSA-N 423.473 4.589 0 40 HJAB Cc1cccn2cc(COc3cccc(C(=O)Nc4ccc(F)c(F)c4F)c3)nc12 12728410 FULKIJJGGRVGJE-UHFFFAOYSA-N 411.383 4.891 0 40 HJAB COc1cc(OC)cc(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1 12777952 FMBOZWDXYNVFBM-KRWDZBQOSA-N 418.493 4.789 0 40 HJAB COCc1cccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 12814576 KXSNCMQFUWCJTI-UHFFFAOYSA-N 411.505 4.675 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1ccc2ccccc2c1 12887034 VWANFMLXDDPAAS-UHFFFAOYSA-N 414.427 4.888 0 40 HJAB Cc1ccc(-c2noc(Cn3cnc4scc(-c5ccc(C)cc5)c4c3=O)n2)cc1 12910494 QZBFLKOBDBKNHO-UHFFFAOYSA-N 414.490 4.840 0 40 HJAB Clc1cccc(N2CCN(c3nc(-c4cccnc4)nc4ccccc34)CC2)c1 13097261 XYDLXUMLQFRDMQ-UHFFFAOYSA-N 401.901 4.672 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Oc2cccc3ccccc23)CC1 13709254 RMSDDDIFWPOSEH-SFHVURJKSA-N 408.929 4.918 0 40 HJAB CC(C)c1cc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)c2cnn(C(C)C)c2n1 14085145 NJSQAAVKABLHCG-OAQYLSRUSA-N 423.561 4.686 0 40 HJAB O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1cccc(Cl)c1 14113857 PRFJEIVCZFSKQT-INIZCTEOSA-N 400.809 4.728 0 40 HJAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 16180355 UCCCMZORZWTIDT-UHFFFAOYSA-N 409.574 4.605 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C[C@@H]3C=CCC3)CC1)N2 19084127 ZFSATGVNDNULNB-BPQIPLTHSA-N 420.548 4.766 0 40 HJAB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc(C)cc1 20802590 OACLWWPEJSFGCW-YADHBBJMSA-N 419.525 4.506 0 40 HJAB CCN1CCC(NCc2c(C)nn(-c3ccccc3)c2Oc2ccc(F)cc2)CC1 23883063 CQQNINXSHCUSTA-UHFFFAOYSA-N 408.521 4.686 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 24986173 LJPQRNDINNBGBH-GJZGRUSLSA-N 412.481 4.544 0 40 HJAB O=C(NC1CC1)[C@@H](NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1ccccc1 25692408 QOSGHZVUQZOJMJ-SFRKDIGZSA-N 408.545 4.893 0 40 HJAB Oc1nc(CN2CCC(Cc3ccccc3)CC2)nc2cc(C(F)(F)F)ccc12 25747957 QAICQTPOTPHIIE-UHFFFAOYSA-N 401.432 4.809 0 40 HJAB CC[C@@H]1CSC(N(CC(=O)c2ccc3c(c2)OCCO3)c2ccc(Cl)cc2)=N1 26442109 WFRXCWDONWESJD-MRXNPFEDSA-N 416.930 4.682 0 40 HJAB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 35041570 OEKVCIPTQQMMEU-OVCLIPMQSA-N 407.875 4.892 0 40 HJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(I)cc2C)c1 38754984 ZUJOBNDCXNBXSM-OAHLLOKOSA-N 423.294 4.931 0 40 HJAB COc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl 40114263 FYDJRLWODODOKF-UHFFFAOYSA-N 420.940 4.896 0 40 HJAB CCCOC(=O)c1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 48020420 PLHSJFQDOAGEQG-KRWDZBQOSA-N 406.486 4.541 0 40 HJAB Cc1cc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)on1 48253000 IRHLFDFNMGWIEK-UHFFFAOYSA-N 401.797 4.955 0 40 HJAB FC(F)(F)CN1CC[C@@H](CNCc2sc(Sc3ccccc3)nc2Cl)C1 48277611 WRCURZBKSLMNSQ-LBPRGKRZSA-N 421.941 4.922 0 40 HJAB Cc1cc(F)c2c(c1)CCCN2C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 48332864 IMKKUUVQLRZJEG-UHFFFAOYSA-N 402.775 4.717 0 40 HJAB Cc1ncsc1C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 51241589 ZKNPTMBHIMKPOI-UHFFFAOYSA-N 414.097 4.861 0 40 HJAB C[C@H]1CN(Cc2cccc(CNC(=O)Nc3cc(Cl)ccc3Cl)c2)CCO1 58157490 HHUALMUVKVKDEE-AWEZNQCLSA-N 408.329 4.536 0 40 HJAB C[C@@H](NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(Br)c1 58225836 FGWOUUREGYAIFG-LLVKDONJSA-N 422.266 4.649 0 40 HJAB C[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCCO2 64986937 XWGAWNYRSJHOBB-SFHVURJKSA-N 403.478 4.918 0 40 HJAB FC(F)(F)c1cc(Cn2nc(Br)nc2Br)ccc1Cl 67801344 GUOKFLBNUKIVPB-UHFFFAOYSA-N 419.426 4.524 0 40 HJAB Fc1cccc(-c2noc(C3(c4ccc(Br)cc4)CCOCC3)n2)c1 69972806 CIXBYUMMTTXFDQ-UHFFFAOYSA-N 403.251 4.735 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2N2CCCCCC2)cc1 72216740 QBQLPWAFYIBACY-JOCHJYFZSA-N 413.587 4.686 0 40 HJAB CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cnc(Cl)c(C)c1 72313056 LLEBHCSZOKNOGP-HXUWFJFHSA-N 415.946 4.547 0 40 HJAB O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccc2nccnc12 72314691 OWNSRYXYEVKJJA-LJQANCHMSA-N 402.841 4.868 0 40 HJAB COc1ccc(/C=C2/N=C(SCc3cccnc3)N(Cc3ccccc3)C2=O)cc1 97002867 XXFMUVHYHHMXHW-HYARGMPZSA-N 415.518 4.763 0 40 HJAB O=C(OC[C@@H]1CCCCO1)c1cccnc1Oc1ccc(F)cc1Br 97405511 OUNXKWKGTHUVOR-ZDUSSCGKSA-N 410.239 4.501 0 40 HJAB CCSc1nc2cc(OC)c(OC)cc2c(=N)n1Cc1cccc(C(F)(F)F)c1 100325512 BMYSUIOTRLXJOO-UHFFFAOYSA-N 423.460 4.712 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 222553099 YBPBSVHIAWHINB-FQEVSTJZSA-N 421.368 4.868 0 40 HJAB Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 223337844 CVUZXRIESPMBBL-XZOQPEGZSA-N 414.534 4.946 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccc(F)cc2)c1 223919867 OTLAUIFCFPFMFO-JWGURIENSA-N 422.525 4.716 0 40 HJAB Cc1c(Br)cnc(NC(=S)NCCCc2ccc(F)cc2)c1Cl 223966969 ZLNTVOQAFMFZAH-UHFFFAOYSA-N 416.747 4.864 0 40 HJAB Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224001755 RHHMQDXSOJBUNX-UHFFFAOYSA-N 406.935 4.512 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl 224051150 YUMHMFJZMOHXRH-HNNXBMFYSA-N 421.368 4.868 0 40 HJAB COc1cc(NC(=O)c2ccc(OC)c(COCC(C)C)c2)c(OC)cc1Cl 224455409 ZIZYFHNOGHYXHX-UHFFFAOYSA-N 407.894 4.791 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(CC)cc1 225194499 ADZRQXOCFMZTEO-IBGZPJMESA-N 412.549 4.654 0 40 HJAB Cc1cc(C)n(Cc2ccc(C(=O)NCCCc3cccc(OC(C)C)c3)cc2)n1 225291405 CJSDSMPZMQUFTD-UHFFFAOYSA-N 405.542 4.698 0 40 HJAB COc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4ccccn4)C3)c2)c1 257343862 ZURUCWHSQXZXLX-SFHVURJKSA-N 402.498 4.557 0 40 HJAB CCOC1(C(=O)Nc2ccc(OCCCN3CCC[C@H](C)C3)cc2)CCCCC1 260818240 YXSZOVVFSRZCMZ-FQEVSTJZSA-N 402.579 4.865 0 40 HJAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 408585226 XXCHNDSTYLHZRN-UHFFFAOYSA-N 416.330 4.572 0 40 HJAB COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc(Br)c1O 408634963 VVXJNNNBLIRVAL-ZSOIEALJSA-N 422.256 4.522 0 40 HJAB CCOC(=O)C1=C(C)N=C2SC=C(CC)N2[C@@H]1c1cccc(Br)c1 408994033 YCNUPQVJVYRALN-MRXNPFEDSA-N 407.333 4.997 0 40 HJAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2Cl)cc1 409099491 NTISFHBEHSTCQG-UHFFFAOYSA-N 423.325 4.622 0 40 HJAB Cn1c([C@H]2CCCN2C(=O)C[C@@H](c2ccsc2)n2cccc2)nc2ccccc21 575443392 VMUBZVKHKKEQBP-RTWAWAEBSA-N 404.539 4.780 0 40 HJAB CC(C)CCS(=O)(=O)N(C)[C@@H](c1ccccc1)c1ccccc1Br 1213598496 VGJAEJUHRYZLJG-IBGZPJMESA-N 410.377 4.846 0 40 HJAB CC1(C)C[C@]2(CCCN2C(=O)c2ccc(C(F)(F)F)cn2)CN1c1ccc(F)cc1 2037988452 JSKBLKAAKXXNRS-OAQYLSRUSA-N 421.438 4.903 0 40 HJAB CCOc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C)C3 781896 BUVXVUSITYKHPM-CYBMUJFWSA-N 413.568 4.946 0 40 HJAB O=C(c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)N1CCCCC1 865282 ZPKSZVCRNJOYCT-UONOGXRCSA-N 412.843 4.823 0 40 HJAB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1ccc(-n2cccc2)c(Cl)c1 869794 GYVKMRCJWLQKGY-UHFFFAOYSA-N 422.838 4.864 0 40 HJAB O=C(NC(=S)Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1Cl 1003942 IJXCYWXZERUMGJ-UHFFFAOYSA-N 415.946 4.529 0 40 HJAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)N4CCCCC4)c23)C1 1377269 BHBALXQESAGSOJ-CYBMUJFWSA-N 401.601 4.798 0 40 HJAB CCCCc1cc(=O)oc2cc(C)cc(OC(=O)CCCNC(=O)OC(C)(C)C)c12 2094451 OHTVMERIFSDQGX-UHFFFAOYSA-N 417.502 4.654 0 40 HJAB biogenic CCc1ccccc1-n1ncc(-c2nn3c(-c4cccc(C)c4)nnc3s2)c1C 2183264 KUIMBRRNJQQOMX-UHFFFAOYSA-N 400.511 4.885 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(O)c1)N(Cc1ccco1)C3=O 2213440 POCDPWQSUHNQJW-FQEVSTJZSA-N 421.836 4.799 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 3041239 YZLZZEITRSFKTO-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3ccccc3)[C@H]2c2cccs2)cc1 6648782 GKZNDLUYJYDUBS-OFNKIYASSA-N 404.535 4.857 0 40 HJAB CCN(CC)C(=O)[C@H](Sc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1 7114351 BHFZWYWSZWNSCN-HXUWFJFHSA-N 409.555 4.679 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)OCCOc2cccc(Cl)c2)cc1 7735273 UBVQCQAZMXIURP-UHFFFAOYSA-N 401.846 4.760 0 40 HJAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cc(C)c(Br)cc3C)CC2=O)c1 7882592 JCGCSHINRKKVGF-INIZCTEOSA-N 415.331 4.674 0 40 HJAB COc1cc(OC)c(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1OC 7898925 GDGKYIRFWXGGJO-UHFFFAOYSA-N 401.846 4.556 0 40 HJAB Cc1cccc(C)c1NC(=O)CNC(=O)CSc1cccc2cccc(Cl)c12 7990138 UFOHUNCQVQBTQO-UHFFFAOYSA-N 412.942 4.957 0 40 HJAB CCOc1cc(C(=O)CCC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)ccc1O 8772374 HPRWWHAVCLPFAV-SANMLTNESA-N 417.505 4.968 0 40 HJAB COc1ccc(-c2nnc(SCc3nc4ccccc4o3)n2C[C@@H]2CCCO2)cc1 9336984 LBBJXANESCHKSM-KRWDZBQOSA-N 422.510 4.566 0 40 HJAB O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 9477643 QKNAAALONJADCY-UHFFFAOYSA-N 424.516 4.873 0 40 HJAB Cc1ccc(-c2nc(C)sc2CC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 9516811 KLCKKTSOZWUBTM-FQEVSTJZSA-N 423.582 4.906 0 40 HJAB O=C(CCCc1ccccc1)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12 9568949 PQYGUBZCOWIIAA-UHFFFAOYSA-N 424.957 4.793 0 40 HJAB CN(Cc1cccs1)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 9872790 AFRBZPWLIUTVQF-UHFFFAOYSA-N 423.567 4.574 0 40 HJAB CC(C)c1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@H](c1ccccc1O)C3 10156983 OSJGXNGXACQDMP-OAHLLOKOSA-N 416.456 4.672 0 40 HJAB Cn1/c(=N\C(=O)COc2ccc(Cl)cc2Cl)sc2cc(Cl)ccc21 11852099 GEDMPZUHHPGYHP-CAPFRKAQSA-N 401.702 4.706 0 40 HJAB Cc1cc(C)cc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)ns2)c1 11914197 WTIXVPYHQPRMKN-UHFFFAOYSA-N 418.316 4.602 0 40 HJAB Cc1nn2cccnc2c1C(=O)N1CCC(CCc2ccccc2C(F)(F)F)CC1 12240348 ACRXCXWONVMCJI-UHFFFAOYSA-N 416.447 4.542 0 40 HJAB Cc1cc(-c2cnc(NC[C@@H](c3ccc(F)cc3)N(C)C)nc2-c2ccoc2C)on1 12251513 RFGBBGPSBGVLRP-FQEVSTJZSA-N 421.476 4.862 0 40 HJAB C[C@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(Cl)cc1Cl 12734372 IGLKUUKSRYDOHC-AWEZNQCLSA-N 420.340 4.658 0 40 HJAB O=C(COc1ccc2ccccc2c1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 13102042 ZPOYENZZNJMWPE-UHFFFAOYSA-N 418.474 4.752 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4cccc(C)c4)ccc32)cc1 13583649 ZVWDQVFWRMSBSR-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB CCc1cccc(CC)c1NC(=O)[C@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714638 YQKWZNSFSPKJNA-IBGZPJMESA-N 422.978 4.648 0 40 HJAB COc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)c(C)c2)cc1 15413300 DTFRYUUSCRADRQ-VWLOTQADSA-N 414.505 4.742 0 40 HJAB O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1Br 16099574 PJJZNXNTUCLETR-UHFFFAOYSA-N 418.312 4.829 0 40 HJAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc(C)cc(C)c2)c1 17082783 NRSBIEWPMZEIMC-UHFFFAOYSA-N 403.935 4.822 0 40 HJAB CCCCN(C)c1nc(Nc2ccc(OC)cc2)c2cnn(-c3ccccc3)c2n1 17270234 BQAQGXWPYCKFJJ-UHFFFAOYSA-N 402.502 4.804 0 40 HJAB CC(C)c1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4cccnc4)CC3)noc2n1 19452144 KTUGHUZNHCJTJQ-UHFFFAOYSA-N 418.419 4.780 0 40 HJAB Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19871491 PYHQBSIHJSLTHB-JOCHJYFZSA-N 414.549 4.696 0 40 HJAB CCc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 20197119 PGZJRQZYFXQTKF-UHFFFAOYSA-N 421.444 4.972 0 40 HJAB O=C(Nc1cccc(Cl)c1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20241802 MCODONMWLQIULE-UHFFFAOYSA-N 419.956 4.910 0 40 HJAB COc1cccc(CSC2=NS(=O)(=O)c3ccccc3N2Cc2ccccc2)c1 21117671 OHUVPKAJDBUHEJ-UHFFFAOYSA-N 424.547 4.694 0 40 HJAB COc1ccccc1-c1nc(COC(=O)c2cc(Cl)c3c(c2)OCCO3)cs1 21499044 UOHVCVXFLMRGHT-UHFFFAOYSA-N 417.870 4.600 0 40 HJAB CCCc1sc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1CC 32760584 OUKMTUJCWXSNKM-QGZVFWFLSA-N 400.592 4.601 0 40 HJAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1CSc1nc2ccccc2o1 32963869 MGARUPGAAWRWFQ-UHFFFAOYSA-N 416.462 4.542 0 40 HJAB COC(=O)c1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 33337785 UBMUWCPSQBYKMM-SXGWCWSVSA-N 405.834 4.502 0 40 HJAB O=C(NCCOc1cccc(Cl)c1)c1ccccc1SCc1cscn1 40113510 OXSSVNRDLXWISL-UHFFFAOYSA-N 404.944 4.898 0 40 HJAB O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)C1CCN(C(=O)c2cccs2)CC1 40117419 QPLCPNLNYYADQM-NRFANRHFSA-N 414.546 4.787 0 40 HJAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 40129240 WBURJEBYGSCXNV-UHFFFAOYSA-N 422.478 4.523 0 40 HJAB CCc1nn2c(ncc3c(=O)n(CCc4ccc(OC)cc4)ccc32)c1-c1ccccc1 40387846 ZPODLIUIWUBXIT-UHFFFAOYSA-N 424.504 4.525 0 40 HJAB Cc1c(C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)oc2c1C(=O)CC(C)(C)C2 44491612 YZFKKGMWWVPNEZ-UHFFFAOYSA-N 417.465 4.643 0 40 HJAB CC1=C(C)SC(=c2sc3n(c2=O)[C@H](c2ccccc2)C2=C(CCCC2)N=3)S1 51329947 YAVDCNIYOZSTCH-QGZVFWFLSA-N 412.605 4.758 0 40 HJAB O=C(COC(=O)c1ccc(F)c(Cl)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 51354077 GBJJKEHCDCKTKB-UHFFFAOYSA-N 410.150 4.947 0 40 HJAB CC(C)(C)c1ncc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cn1 69321509 QHKHYKNYOWPWQZ-UHFFFAOYSA-N 422.554 4.592 0 40 HJAB CCN(C[C@H]1CCN(C(=O)CCSc2ccc(C)c(C)c2)C1)CC(F)(F)F 72311406 MOAUOWRFLVVQNK-QGZVFWFLSA-N 402.526 4.518 0 40 HJAB COc1ccc2cc(/C=C3\SC(=O)N=C3Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 72401005 GQZZGGGAPDTNSP-MFOYZWKCSA-N 411.870 4.908 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 222475648 VZIHECDAGFQCNH-YKSBVNFPSA-N 424.585 4.577 0 40 HJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(I)cc1 222946094 TYPSDYBZULDNCL-MRXNPFEDSA-N 409.267 4.704 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 223183554 CGROLSXIVLHVNH-IBGZPJMESA-N 414.977 4.833 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223649328 RWZHBFYVJZVCJG-GCJKJVERSA-N 414.977 4.995 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)c2)c1 223952439 FROVTSUWUYTSKO-LJQANCHMSA-N 422.550 4.904 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 224142110 YTIJCPYEIARUAY-XMMPIXPASA-N 406.570 4.712 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 224154755 LPGAJBHPZQFFDL-XMMPIXPASA-N 406.570 4.712 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CSc1ccccc1 224604118 BSLDLHIDCDNIET-QHCPKHFHSA-N 424.610 4.687 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 225255086 KIRYEWMOEZRZMU-OAQYLSRUSA-N 416.562 4.642 0 40 HJAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C)c1ccc(C)c(C)c1 225717600 ZNOJMWVSPUERLS-SFHVURJKSA-N 418.584 4.690 0 40 HJAB C[C@@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccc(Br)c(Cl)c2)C1 225729039 UIWUBQUGYFUGOV-CHWSQXEVSA-N 418.832 4.757 0 40 HJAB Clc1ccccc1CN1CC=C(c2nn3c(-c4ccccc4)nnc3s2)CC1 226250648 AUAOWHKULYLTGH-UHFFFAOYSA-N 407.930 4.796 0 40 HJAB O=C(Cc1ccc(Cl)cc1)NC[C@H]1CC[C@H](c2cncn2Cc2cccnc2)CC1 257202253 ALBKCPBKOQEVAO-XUTJKUGGSA-N 422.960 4.613 0 40 HJAB CCCCc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)[nH]n1 257239715 HQLRJOFTLNQYKH-NRFANRHFSA-N 410.493 4.838 0 40 HJAB Cc1c(C(=O)N2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)oc2ccc(F)cc12 257317877 VLOAAMWQCBTRSG-UGKGYDQZSA-N 417.864 4.578 0 40 HJAB CCn1c(Cc2cccc3ccccc23)nnc1S[C@@H](C)C(=O)Nc1nccs1 408560678 NGSTYVDBVIDJQO-AWEZNQCLSA-N 423.567 4.618 0 40 HJAB CCOc1cc(/C=C2/N[C@H](c3sc4ccccc4c3Cl)OC2=O)ccc1O 408729350 DQTXHECLOSGJJC-CWIMXHLESA-N 401.871 4.845 0 40 HJAB CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)NC1=S 409076524 BEMGALRFFWIMAJ-BOPFTXTBSA-N 404.894 4.526 0 40 HJAB FC(F)(F)c1occc1-c1nc(Cc2ccc(OCc3ccccn3)cc2)no1 564617531 ZZDLXSYGXVJOLZ-UHFFFAOYSA-N 401.344 4.913 0 40 HJAB COc1ccc(-c2nc(-c3ccn(C(C)C)c3)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547212339 GXYYDFANMTUCMT-UHFFFAOYSA-N 405.454 4.769 0 40 HJAB biogenic COC(=O)c1cc(NCc2cc(F)ccc2Oc2ccc(F)c(Cl)c2)ncn1 1655808188 DZUKNYQKVFXRMC-UHFFFAOYSA-N 405.788 4.599 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(Cc4cccc(C(=O)O)c4)CC[C@H]3O[C@@H]21 1848357464 ZADYWMJYBIKXFO-BQUSRXHISA-N 421.537 4.833 0 40 HJAB COc1ccc(Cl)c(C(=O)CSc2nnc(COc3ccccc3C)o2)c1 870515 CXUJNQHCWHUYAN-UHFFFAOYSA-N 404.875 4.594 0 40 HJAB CCOc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1 873236 DWNGROUDADFFAB-CYBMUJFWSA-N 413.568 4.946 0 40 HJAB COc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)c3ccc(F)cc3)n2)cc1 929138 JGNZMAHYZSGIHJ-IBGZPJMESA-N 412.486 4.784 0 40 HJAB COc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)c3ccccc3F)n2)cc1 929158 QMEWWGQPJCUHKV-KRWDZBQOSA-N 412.486 4.784 0 40 HJAB CCCCCCSc1nnc2n(C)c(=O)c3c4c(sc3n12)CO[C@](C)(CC)C4 1785949 RZTQGDNALOJWPV-HXUWFJFHSA-N 420.604 4.557 0 40 HJAB C[C@@H]1CN(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)C[C@@H](C)O1 3492366 GCFMGQVXAOKFMY-IAGOWNOFSA-N 408.523 4.737 0 40 HJAB COc1ccccc1-c1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1 4034450 JTKGFHUDNSXBLM-UHFFFAOYSA-N 409.186 4.643 0 40 HJAB O=C(CSC1=NC2(CCCCC2)Nc2ccccc21)Nc1ccc2c(c1)OCO2 4372220 HKAUHRUFRVJUJR-UHFFFAOYSA-N 409.511 4.620 0 40 HJAB CCc1c(C)sc2nc(C3CC3)nc(SCC(=O)NCCc3ccccc3)c12 4888841 YKNGJRUWCWGPCK-UHFFFAOYSA-N 411.596 4.891 0 40 HJAB CCn1cc(-c2cc(C(=O)Nc3nc4ccccc4n3C)c3ccccc3n2)c(C)n1 6243882 YQHFSLWJQKTPKW-UHFFFAOYSA-N 410.481 4.566 0 40 HJAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC 6963998 AXEKAYXRDMUZGG-WOJGMQOQSA-N 403.887 4.984 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)cc1C 7193589 KKQHHRHJDVPBDP-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)CC2=O)c1 7881853 XUIDZKUOZOGIOR-GOSISDBHSA-N 416.477 4.788 0 40 HJAB COc1ccc(OC)c(NC(=O)CNc2ccccc2CN(C)C2CCCCC2)c1 7976998 IRECGOGSTIUBCU-UHFFFAOYSA-N 411.546 4.519 0 40 HJAB O=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 8287783 JRDDPAFROAWNRM-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB Cc1ccccc1Nc1nnc(SCC(=O)c2ccc3c(c2)OCCCO3)s1 8361922 LWLIAHICCYMNOL-UHFFFAOYSA-N 413.524 4.726 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(C)cc2C)sc2c1CCCC2 8497741 SCMSLDVUPLRNEW-HNNXBMFYSA-N 401.528 4.826 0 40 HJAB COc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 8535055 DYCBZWDWXUIEPR-LLVKDONJSA-N 404.721 4.705 0 40 HJAB COc1ccc(C(=O)c2c(N)c(C(=O)Nc3cc(C)cc(C)c3)c3ccccn23)cc1 9316602 AYHUVRZKIMJIAA-UHFFFAOYSA-N 413.477 4.630 0 40 HJAB CCCN(CC(=O)Nc1ccccc1C)C(=O)NCCCO[C@H](C)c1ccccc1 9460104 XMGOBNXLQNXVTE-HXUWFJFHSA-N 411.546 4.523 0 40 HJAB CCc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)cc1 9855889 JIZZVFCKQVSAKS-UHFFFAOYSA-N 424.500 4.742 0 40 HJAB Cc1nc(C)c(C(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2Cl)s1 10186540 HTIJZZARLDCYRC-UHFFFAOYSA-N 424.913 4.673 0 40 HJAB COc1cccc(C2=NN3[C@H](c4cccc(OC)c4)Oc4c(OC)cccc4[C@H]3C2)c1 12196653 AVOOUKXSTYTVLC-RDGATRHJSA-N 416.477 4.955 0 40 HJAB O=C(NCCCCOc1ccc(F)cc1)c1cc(Br)ccc1Cl 12392670 LYZIZDFVINNZOR-UHFFFAOYSA-N 400.675 4.831 0 40 HJAB CN(Cc1ccc(F)cc1)Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S 12544172 MHKPZDZEALUMMK-UHFFFAOYSA-N 423.492 4.833 0 40 HJAB CCCCN(CC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 12552816 ODBGCIVGXRRQPD-UHFFFAOYSA-N 413.525 4.804 0 40 HJAB Cc1ccc(-c2nc(SCC(=O)NC[C@@H]3CCCO3)[nH]c2-c2ccc(C)cc2)cc1 12588035 IEUTZJFVNJOFHD-FQEVSTJZSA-N 421.566 4.748 0 40 HJAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N(C)Cc3ccc4c(c3)OCO4)c(C)c12 12728119 AXNKOVIGSSRATD-UHFFFAOYSA-N 411.527 4.607 0 40 HJAB COc1cc(OC)c(NC(=O)c2csc(COc3ccc(F)cc3)n2)cc1Cl 12797243 UCRHQZXDVUKDBY-UHFFFAOYSA-N 422.865 4.784 0 40 HJAB COc1cc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)c(OC)cc1Cl 12809335 KHDRTALMPJWVRG-LBPRGKRZSA-N 419.934 4.598 0 40 HJAB COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1OCc1cscn1 12972632 BYGNNXIGRVEOBV-UHFFFAOYSA-N 415.540 4.708 0 40 HJAB Cn1cccc1[C@H]1CCCN1Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 12979608 TULHHXWVLOSNCN-GOSISDBHSA-N 424.957 4.981 0 40 HJAB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(Cl)s1 13117278 YBFLXFCWCKYHEO-UHFFFAOYSA-N 416.915 4.671 0 40 HJAB CCC1=Nc2ccccc2N=C(NC(=O)CSc2ncccn2)[C@H]1c1ccccc1 14608068 VVBOMLUGYBYHSP-NRFANRHFSA-N 415.522 4.695 0 40 HJAB O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 15479989 RUGJZTUZCCYKAE-GOSISDBHSA-N 405.479 4.628 0 40 HJAB C=Cc1ccc(CN2C(=O)N(c3ccccc3C)S(=O)(=O)c3ccccc32)cc1 15868372 WKMTVTUNQFOIAW-UHFFFAOYSA-N 404.491 4.974 0 40 HJAB O=C(O)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 16429983 ARXFUIHLAJISSG-UNOMPAQXSA-N 422.437 4.551 0 40 HJAB COc1cccc([C@@H]2CN(C(C)=O)[C@H]3CCN(Cc4ccc(C(C)C)cc4)C[C@H]32)c1 19453274 RYJVKBBCRHBTRT-GSDHBNRESA-N 406.570 4.655 0 40 HJAB CCOc1ccc(-c2noc(CSc3nnc(C)n3-c3cccc(C)c3)n2)cc1 21168993 BKWQQCNLIFQHKD-UHFFFAOYSA-N 407.499 4.625 0 40 HJAB CCCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1cccc(C)c1 23634803 OHGWEVLVTHYNHR-HNNXBMFYSA-N 405.527 4.753 0 40 HJAB Cc1ccc(C)c(SCC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)c1 24141395 YZGFBRWOMFJBRZ-UHFFFAOYSA-N 408.523 4.582 0 40 HJAB O=C(COc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 29778855 BIZVYSKROBIGJV-QGZVFWFLSA-N 408.281 4.507 0 40 HJAB Cc1ccc(OCc2nnc(SCc3noc(-c4ccc(Cl)cc4)n3)o2)cc1 31620920 JGFHYGBCBMZMST-UHFFFAOYSA-N 414.874 4.953 0 40 HJAB CC(=O)Nc1cccc([C@H](C)N(CC(=O)N[C@H]2CCCC[C@@H]2C)Cc2ccccc2)c1 32909357 WWJSHHNOZQNMMT-RLSLOFABSA-N 421.585 4.903 0 40 HJAB COCc1nn2c3c(c(-c4ccco4)nc2c1-c1ccc(OC)cc1)C[C@@H](C)CC3 35326083 WWUDCKUTFDTDMB-HNNXBMFYSA-N 403.482 4.936 0 40 HJAB CCNC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3F)o2)C[C@H]1C(C)C 35442825 YRTLSSRRWILHKA-LNLFQRSKSA-N 414.525 4.592 0 40 HJAB biogenic,in-vitro COc1cc(/C=C\C(=O)Nc2nc3c(SC)cccc3s2)cc(OC)c1OC 35590375 PHLGZQXYZUZAAJ-HJWRWDBZSA-N 416.524 4.696 0 40 HJAB CN(CCOc1ccccc1Cl)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 40104433 DSVNCLYSQAHZSS-UHFFFAOYSA-N 413.861 4.728 0 40 HJAB CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2cc(C)cc(C)c2)C1 44803824 IEGURYTYFGOIGC-IBGZPJMESA-N 418.541 4.891 0 40 HJAB CCCn1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2ccsc2c1=O 57425300 CIJOLJPNKSEUSN-UHFFFAOYSA-N 401.557 4.722 0 40 HJAB CNc1nc2c(s1)[C@@H](c1cccc(OC)c1OCCc1ccccc1)CC(O)=N2 61718373 YAFCNMGUDBQKBP-MRXNPFEDSA-N 409.511 4.939 0 40 HJAB CCCS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@@H]2[C@@H](CC)c2ccccc2)c1 71844263 OEYVDVBDVBBOAE-FCHUYYIVSA-N 414.571 4.637 0 40 HJAB Cc1cccc(Nc2cccc([C@@H]3CCCN3C(=O)CCOc3cccc(F)c3)n2)n1 72375659 MGQNWVOMPWVBBY-NRFANRHFSA-N 420.488 4.800 0 40 HJAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc23)c1C 72414339 GGBOFGRNMFSSKL-UHFFFAOYSA-N 406.551 4.719 0 40 HJAB CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4OC)=NN3C(C)=O)cc2c1 89269830 MCDGZZXYBCHDNY-OAQYLSRUSA-N 423.900 4.993 0 40 HJAB O=C(NCc1ccc(C(=O)c2cccs2)s1)c1cccc(Br)c1 90610582 UOYPFXWWXDUFIJ-UHFFFAOYSA-N 406.326 4.733 0 40 HJAB Cc1ccc(SCCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 95482230 AGCYWWNPFDKLEZ-UHFFFAOYSA-N 401.919 4.839 0 40 HJAB Cc1ccc(C(=O)COc2ccc(Cl)cc2N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 100394764 BZFIDLSMIYHAND-HDICACEKSA-N 411.885 4.590 0 40 HJAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2Cl)C(=O)N1c1ccc(F)cc1 102735466 IGDNOVPTPQAEFM-PCCBWWKXSA-N 422.843 4.530 0 40 HJAB COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)COc1cc(C)cc(C)c1 102753822 KXRIDRCWFZINNE-RCXJIHSJSA-N 423.553 4.586 0 40 HJAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1OCc1ccccc1 223263871 JUXNMQZKTQSTKJ-UHFFFAOYSA-N 401.506 4.744 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1)c1ccccc1 223942208 MBWOOPNLWCTMPW-NRFANRHFSA-N 408.523 4.677 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2C)cc1 224207110 LYCJFQNXDGYTTG-LJQANCHMSA-N 422.550 4.620 0 40 HJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)c1 224224482 NJUTXZPMHYFONH-PKTZIBPZSA-N 411.534 4.753 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 224480431 BDEWKHFNOWYMKV-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 225525722 XVPMGEVPKMEJTM-PGRDOPGGSA-N 414.977 4.913 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 225527861 YAAMOQJMLIPUJH-KNQAVFIVSA-N 412.599 4.809 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225698757 QLVMAXLXUHOEQX-MRXNPFEDSA-N 421.368 4.520 0 40 HJAB O=C(c1csc(-c2ccccc2)n1)N1CC[C@H](Oc2cccc3cccnc23)C1 225705010 XEJGWGWGQQDBRG-SFHVURJKSA-N 401.491 4.652 0 40 HJAB CCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C 225877407 DNSLTOJFMVQTQF-UHFFFAOYSA-N 409.313 4.782 0 40 HJAB CC(C)COc1cccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)c1 408625865 FVYIHFDYHWMSIO-UHFFFAOYSA-N 403.504 4.597 0 40 HJAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1c[nH]c2ccccc2c1=O 408713285 RLHXXSWHPMNGJV-UHFFFAOYSA-N 402.837 4.665 0 40 HJAB Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 408736596 DHKKLOVCNMOHIZ-NQIIRXRSSA-N 412.530 4.741 0 40 HJAB O=C(Nc1ccccc1F)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 408999832 SJMHIOBDCUNCIK-QFIPXVFZSA-N 404.441 4.528 0 40 HJAB Cc1ccc(OCc2nn(CC(=O)Nc3ccc(Cl)cc3C)c(=S)o2)cc1 409176281 ZUTIPWPJVLPSBH-UHFFFAOYSA-N 403.891 4.694 0 40 HJAB O=C(c1cc2c(Cl)cccc2[nH]1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 583647582 MUMOMJJBRFKSKD-ODYPEACGSA-N 409.961 4.857 0 40 HJAB biogenic Oc1cc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c2ncccc2n1 647853246 MEVHEDQTCRGLCE-UHFFFAOYSA-N 407.477 4.859 0 40 HJAB O=Cc1c(Br)c(Br)cc(Br)c1Br 1775954132 OLDHEABESIPSDN-UHFFFAOYSA-N 421.708 4.549 0 40 HJAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@H]2C[C@@H]1O 2332242809 SAHPWNHMABIFAB-TXKCWOHGSA-N 413.924 4.581 0 40 HJAB O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1ccccc1Cl 849502 NPGPPUBJBSPQMH-UHFFFAOYSA-N 424.707 4.883 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1CC[C@H](C)C2 1102458 PBJIFZKLJTXUDL-NSHDSACASA-N 407.919 4.964 0 40 HJAB O=C(NCc1ccccc1)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 1396470 QFWYOGGALUIFSI-UHFFFAOYSA-N 421.711 4.787 0 40 HJAB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cccnc1 2210706 LXWRBTKAUFGXAW-UHFFFAOYSA-N 410.227 4.610 0 40 HJAB O=C(O)COc1ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 3186764 OTFQWFWIDRQVBA-UHFFFAOYSA-N 414.719 4.721 0 40 HJAB COc1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccccc1 3324134 UEDQNCPWKJQIJD-UHFFFAOYSA-N 423.465 4.552 0 40 HJAB O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)C12CC3CC(CC(C3)C1)C2 4150921 BCIALMXZWPZDLS-UHFFFAOYSA-N 403.935 4.925 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1C 4185245 WCOJRAAYXJFNQZ-CQSZACIVSA-N 417.531 4.992 0 40 HJAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)c2ccco2)cc1 4240736 ZGWKPRXJSFCNQS-QFIPXVFZSA-N 406.482 4.624 0 40 HJAB CCOc1cccc2c1O[C@@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccco3)C[C@H]21 4715671 ZELCQWUTVKXZPG-KOSHJBKYSA-N 420.465 4.938 0 40 HJAB CC(C)c1ccc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)cc1 5249013 CFWLLELOGVWXJQ-UHFFFAOYSA-N 405.321 4.575 0 40 HJAB C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC4(CC[C@]3(C)[C@@]1(Br)C(=O)C2)OCCO4 5275746 LDUIALZUIXGSBK-DLWLOEJFSA-N 411.380 4.859 0 40 HJAB CC(C)(C)c1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 5499809 ICWFQXMMQGGHFM-UHFFFAOYSA-N 417.538 4.844 0 40 HJAB CCN(CC)c1ccc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1 6653332 LUJUFFBEMTZDSU-UHFFFAOYSA-N 408.571 4.886 0 40 HJAB CCCCn1nnnc1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 7262200 VZYYHDKXUDJARU-UHFFFAOYSA-N 406.317 4.971 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(F)cc1 8215988 BAQGGLURQGPFEV-QFIPXVFZSA-N 401.441 4.871 0 40 HJAB COc1ccc(CC(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)cc2)cc1 9185084 YAWSIMWJKWIHJL-UHFFFAOYSA-N 412.489 4.621 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)c(C)c1 9414927 VDDPFILHKAVGPU-UHFFFAOYSA-N 421.501 4.586 0 40 HJAB Cc1ccc(CN2C(=O)N(c3cccc(C)c3C)S(=O)(=O)c3ccccc32)cc1 9663907 JCAONMOWUOYSPR-UHFFFAOYSA-N 406.507 4.947 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)c4ccc(F)cc4)cc32)cc1 9738576 QBWHEDMNUVCGTI-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB O=C(CSc1nc2ccccc2s1)Nc1ccnn1Cc1cccc(Cl)c1 9755921 PHBOSRMAZBDEPH-UHFFFAOYSA-N 414.943 4.925 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1Br 11918028 ADEVBLIXMOZUGU-UHFFFAOYSA-N 404.260 4.752 0 40 HJAB CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)C3CCCCC3)C2)cc1 12601349 SMGSIUQZWZRPPW-FXAWDEMLSA-N 422.594 4.763 0 40 HJAB biogenic,in-vitro Cc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 13207228 LKAMRDISBFIJAL-QFIPXVFZSA-N 410.473 4.859 0 40 HJAB Cc1cccc([C@@H]2CC(=O)c3nnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)c1 14164748 GLJGRMLLBYPPEI-KRWDZBQOSA-N 402.885 4.974 0 40 HJAB COc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccc(C)cc2)cc1 15412279 CZELGXTXYVPUAG-RUZDIDTESA-N 414.505 4.742 0 40 HJAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 20139819 PWDYNXGFZPGBAG-UHFFFAOYSA-N 400.228 4.968 0 40 HJAB O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1CCC(c2noc3cc(F)ccc23)CC1 20715184 UAUXRNZOMBPNQZ-OAQYLSRUSA-N 411.408 4.593 0 40 HJAB CCc1ccc(-n2ncc3c2N=C(O)C[C@]32C(=O)Nc3ccc(C(C)C)cc32)cc1 20715231 CPHHPGYKAYQPJM-XMMPIXPASA-N 400.482 4.788 0 40 HJAB CCCCCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3OC)nc12 21788957 AXZQYPLUYBKTMI-UHFFFAOYSA-N 407.392 4.771 0 40 HJAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCCC2)cc1 21805390 KRRVXFCAUUPPEZ-OAQYLSRUSA-N 409.917 4.870 0 40 HJAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2C2=Cc3ccccc3OC2)c(OC)c1 22195831 FCUSYUWQJPQGNS-XMMPIXPASA-N 414.461 4.578 0 40 HJAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)N(C1=CCCCC1)C1CC1 22867265 ZDZQUFFHPQBZSY-UHFFFAOYSA-N 418.559 4.647 0 40 HJAB O=C(c1cccc(OCc2ccccc2)c1)N1CCC([C@@H](O)c2ccccc2)CC1 23383317 OEANYLUBYBYJIN-VWLOTQADSA-N 401.506 4.851 0 40 HJAB O=P(O)(O)[C@H](NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1 27987265 SNOZOGKEGACREK-QHCPKHFHSA-N 419.421 4.505 0 40 HJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccco1 32109924 KTPLFGDTLIAQHP-UHFFFAOYSA-N 410.886 4.912 0 40 HJAB CCc1ccccc1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C 33271980 FHRPMVHABJRWOU-UHFFFAOYSA-N 406.507 4.615 0 40 HJAB Cc1cccc(C)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 33661237 YSIDJUYWONIYET-QHCPKHFHSA-N 406.507 4.923 0 40 HJAB Cc1ccccc1OCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1 33665859 QRCQGADPHYKVTO-UHFFFAOYSA-N 417.962 4.531 0 40 HJAB Cc1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)cc1C(=O)O 35648979 IZNIVZZSRWSOJJ-OVCLIPMQSA-N 407.875 4.892 0 40 HJAB CCC(CC)c1nnc(NC(=O)CSCc2coc(-c3ccccc3)n2)s1 40140601 QHFOCQZRWLNNTG-UHFFFAOYSA-N 402.545 4.969 0 40 HJAB Cc1ccccc1CN1CCC(C(=O)NCCCc2cccc(OC(C)C)c2)CC1 44916130 TVZLJBXXLBHINF-UHFFFAOYSA-N 408.586 4.743 0 40 HJAB Cc1ccc([C@@H](NCC(=O)Nc2ccc3c(c2)OCCCO3)c2cccs2)cc1 57435570 HSKZZEBIQIYIAY-HSZRJFAPSA-N 408.523 4.536 0 40 HJAB COc1ccc(Cl)cc1NC(=O)Cn1cccc1-c1nc(-c2ccc(C)cc2)no1 57486838 DPBXJUVAVHAVQB-UHFFFAOYSA-N 422.872 4.814 0 40 HJAB Cc1cc(=O)n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(-c2cccc(Cl)c2)n1 57527003 IMNQRKDBOBLCTI-UHFFFAOYSA-N 422.699 4.818 0 40 HJAB CC(C)(C)n1nnnc1[C@H](c1ccccn1)N(Cc1ccccc1)Cc1cccs1 57710988 VAHNGDHBLWBBQJ-NRFANRHFSA-N 418.570 4.676 0 40 HJAB CC(C)C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc(C(F)(F)F)c1 58294717 GNJRDNDDKINGDG-GOSISDBHSA-N 413.461 4.626 0 40 HJAB Cc1nc(-c2ncccn2)sc1C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 65402310 AUACUWLOOGEWNK-UHFFFAOYSA-N 407.326 4.880 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2N(C(C)C)C(C)C)cc1 72213025 QQSXZHOOVNXUNC-OAQYLSRUSA-N 401.576 4.539 0 40 HJAB O=C(Nc1cc(-c2ccncc2)n[nH]1)c1ccc(COc2ccc(F)cc2Cl)o1 72255955 UKYAXSPLQFPJGN-UHFFFAOYSA-N 412.808 4.689 0 40 HJAB CC(C)c1ncc(CN2CCCCC[C@H]2Cc2c(C(N)=O)sc3ccccc23)cn1 72370686 ODSUCYABPLGIQE-SFHVURJKSA-N 422.598 4.901 0 40 HJAB C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1F)c1ccc(Cl)nn1 83888385 MPPPBGSRRIXTMR-ZDUSSCGKSA-N 420.271 4.923 0 40 HJAB COc1cccc(-c2ccc3nc(C4CCN(Cc5ccc(C)o5)CC4)nn3c2)c1 96038223 XVHBVFRIWKZFHB-UHFFFAOYSA-N 402.498 4.686 0 40 HJAB CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)NCc1nc2ccccc2[nH]1 96116960 WIIRGMSVTZRPOR-HNNXBMFYSA-N 418.324 4.698 0 40 HJAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccc(F)cc2)C12CCCC2 96344613 IIRRUWVZQDVWQV-QFIPXVFZSA-N 408.517 4.794 0 40 HJAB CC(C)C[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2ON1c1ccccc1 101087550 VWOCTRMVELYDAU-VJBWXMMDSA-N 400.478 4.564 0 40 HJAB Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2ON1c1ccccc1 102737804 GYMNKLBWYBVUMP-FDFHNCONSA-N 418.880 4.700 0 40 HJAB C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCCCCC1 107963707 FLFRLYWOZICKHS-WIYYLYMNSA-N 418.578 4.714 0 40 HJAB CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCC 223270057 KCYGWGQAXRHWMR-DEOSSOPVSA-N 424.585 4.742 0 40 HJAB O=C(NCCOc1ccc2ccccc2c1)C1CCN(Cc2ccccc2Cl)CC1 223625517 SPMZBLXWKJGSIU-UHFFFAOYSA-N 422.956 4.900 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSc1ccccc1 224113591 HVCOFAXBLUYCOZ-JOCHJYFZSA-N 410.583 4.645 0 40 HJAB O=C(NCCOCc1ccccc1)C1CCN(Cc2cccc(Cl)c2Cl)CC1 224541051 HHXJTHOZSAJPCE-UHFFFAOYSA-N 421.368 4.538 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)NCc2cccc(CN3CCCCC3)c2)ccc1Cl 224696773 SYCLUJWEDYBRHQ-SFHVURJKSA-N 400.950 4.718 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 225050090 UMLJIWIKGZDQSM-LEWJYISDSA-N 424.585 4.829 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 225511954 JMTLZVSKVSOLJV-QPPBQGQZSA-N 424.585 4.713 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 225641608 AGHXWAVLVRHSST-PGRDOPGGSA-N 414.977 4.913 0 40 HJAB COc1ccc(Br)c(C(=O)NCc2ccnc(-c3cccs3)c2)c1 225650791 YWGQTADLVCKHMT-UHFFFAOYSA-N 403.301 4.511 0 40 HJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)c1ccc(C)cc1 225752874 UZZWECALHRSHIZ-LEYFIJQKSA-N 402.494 4.935 0 40 HJAB CCSc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)cc1 225756917 CYFFIIIHGVQZCW-HKWRFOASSA-N 422.506 4.810 0 40 HJAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)N1CCC(Cc2ccccc2)CC1 225809091 CPFYBDFNCOIYQZ-UHFFFAOYSA-N 409.917 4.804 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1NC(=O)c1ccccc1C 408553984 ARFJOFUZLRIIND-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CCOc1cc(C(=O)Nc2ccc(OC)cc2OC)ccc1OCc1ccccc1 408558254 SMVRDTPEVNCZOE-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB CCOc1cc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)cc(Cl)c1O 408804123 WCUJWQAUVZZRSQ-UHFFFAOYSA-N 419.910 4.524 0 40 HJAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)s1 409355823 FENNWMVYNRMQLF-OVCLIPMQSA-N 406.916 4.693 0 40 HJAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 605366381 FPGROVTUBWBEPG-VKJFTORMSA-N 410.518 4.928 0 40 HJAB O=C(Nc1ccc(Oc2ccc(F)c(Br)c2)cc1)[C@@H]1C[C@H]2CC[C@H]1O2 1531360978 KMCAYAINBUBCSY-DDUZABMNSA-N 406.251 4.887 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)NCc3ccccc3)n2-c2ccccc2)c1 870483 SSIJULVEENWXIY-UHFFFAOYSA-N 414.534 4.651 0 40 HJAB Cc1ccccc1[C@H]1C[C@]2(CC(C)(C)NC(=S)N2)Oc2cc(O)c(Cl)cc21 881886 IKPOGTNYNYLUHX-QVKFZJNVSA-N 402.947 4.611 0 40 HJAB Cc1ccccc1-c1nnc(SCC(=O)N2CCC(Cc3ccccc3)CC2)o1 882273 VYEWZASHZXJANT-UHFFFAOYSA-N 407.539 4.618 0 40 HJAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc1c23 1463364 QOBOHEINSSDKAC-UHFFFAOYSA-N 420.412 4.640 0 40 HJAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2F)cc1 1464695 XFCDBJQCXSWFJM-UHFFFAOYSA-N 419.408 4.829 0 40 HJAB CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)cc(CC)c2cc1Cl 2220223 AUZSKIODAIURAP-HNNXBMFYSA-N 423.893 4.608 0 40 HJAB O=C(Nc1nc2n(n1)[C@@H](c1ccccc1Cl)C[C@@H](c1ccccc1)N2)c1ccco1 2398371 DFSMFAADKMMFOB-ZWKOTPCHSA-N 419.872 4.923 0 40 HJAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 2399780 PZNBFXGDZQULLK-HXUWFJFHSA-N 418.836 4.600 0 40 HJAB COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 2418196 CQXYVHFEXFVALV-IBGZPJMESA-N 418.474 4.625 0 40 HJAB COc1ccc2nc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)sc2c1 2663470 JNQCFZQNFFVHDL-UHFFFAOYSA-N 409.467 4.741 0 40 HJAB COc1ccc(C(C)=O)cc1COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 3224313 LHXOZWOBIRTVSZ-UHFFFAOYSA-N 420.490 4.964 0 40 HJAB Cc1csc(SCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)n1 3347761 AUFOMRJOQGOTMI-OAHLLOKOSA-N 411.552 4.673 0 40 HJAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2cccc(Br)c2)N3)C1 4553970 VWFZDOLUABDDFU-INIZCTEOSA-N 406.349 4.706 0 40 HJAB CCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2cccc(C)c2)c2ccccc21 4725807 WIYZOTHFBDFBGQ-PGMHBOJBSA-N 407.473 4.601 0 40 HJAB COc1ccc(CCNc2c(C)c(C)nc3c(-c4ccccc4)cnn23)cc1OC 5322173 WXGYEIFVGYEJQS-UHFFFAOYSA-N 402.498 4.685 0 40 HJAB Cc1oc2cc(OCC(=O)N[C@@H]3CCCC[C@H]3C)ccc2c(=O)c1-c1ccccc1 5497972 RDUQITYXBDNZHB-IIBYNOLFSA-N 405.494 4.842 0 40 HJAB CC(=O)c1ccc(OCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)cc1 5654381 LSXGWVJGPXROAG-QFIPXVFZSA-N 402.450 4.547 0 40 HJAB Cc1noc(C)c1COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 6078384 AZYZHKDTWQUZKS-HXUWFJFHSA-N 412.873 4.549 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C 6217505 IQABJPWXNFDQQE-IBGZPJMESA-N 402.494 4.812 0 40 HJAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 6258848 ZASQTVWZCLVFBJ-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc5c(c4)CCC5)CC3)c2c1C 6653822 SKGONMHTSSJIOX-UHFFFAOYSA-N 406.555 4.652 0 40 HJAB C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N(C)c1ccccc1 8186778 AVHOPUZMIJYLLM-MRXNPFEDSA-N 407.539 4.655 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2C)c(C)c1 8301904 IXOLMHVQQVOIAH-UHFFFAOYSA-N 424.570 4.667 0 40 HJAB COc1cc(CN(C(=O)c2cccc(Cl)c2)c2ccccn2)cc(OC)c1OC 8586713 KXYPCTMKRUTTCP-UHFFFAOYSA-N 412.873 4.608 0 40 HJAB CCn1nc(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)c2ccccc2c1=O 9154381 RKHFCQUNFMZTET-UHFFFAOYSA-N 418.522 4.717 0 40 HJAB Cc1ccc(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)cc1 9250370 HQDZQBVIQOLYTO-UHFFFAOYSA-N 420.534 4.933 0 40 HJAB Cc1cccc2nc(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)cc(=O)n12 9909207 SABDLZMAXDEJOS-GFCCVEGCSA-N 424.551 4.532 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)c(C)c3)cc2)c1 10009800 MMMGGPKDKUYURV-UHFFFAOYSA-N 422.550 4.902 0 40 HJAB CCOC(=O)Nc1cccc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1 10428305 RCRDUQFIKOIODS-UHFFFAOYSA-N 400.438 4.846 0 40 HJAB Cc1ccc(C(=O)N[C@@H](C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)C(C)C)cc1 11072666 NAXGHXVMDFCWDB-XMMPIXPASA-N 415.537 4.547 0 40 HJAB COc1cccc(-c2ccc(SCC(=O)Nc3ccccc3C(F)(F)F)nn2)c1 12140489 BMNNVVJXBJMKEW-UHFFFAOYSA-N 419.428 4.902 0 40 HJAB O[C@H]1CC2(CCN(C[C@H](O)c3ccc(-c4ccccc4)cc3)CC2)Oc2ccccc21 12329403 XSZJQOXYYOOJBR-DQEYMECFSA-N 415.533 4.738 0 40 HJAB COc1ccc(OC)c(-c2nnc(NC(=O)c3ccc(Oc4ccccc4)cc3)o2)c1 12514258 ZQSWBXKKFWQKNM-UHFFFAOYSA-N 417.421 4.798 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3SCC(N)=O)n2)c(C)c1 12796535 CLFGXOUWHUGDOT-UHFFFAOYSA-N 411.552 4.565 0 40 HJAB CC1CCN(Cc2csc(NC(=O)c3cc(Br)ccc3F)n2)CC1 12817314 ITWJGQWCXYOXDM-UHFFFAOYSA-N 412.328 4.529 0 40 HJAB COc1ccc(CNCC[C@@]2(Cc3ccccc3)C[C@H](C)N(C)C[C@@H]2C)cc1OC 13475962 FYBSRGAMRKRJQM-WOVHNISZSA-N 410.602 4.773 0 40 HJAB COc1ccccc1CNCc1cc(Br)cc(Br)c1OC 13720620 GXOHCHQVQAAPSX-UHFFFAOYSA-N 415.125 4.519 0 40 HJAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Oc1ccc(Br)cc1Cl 14849317 FIJSQSNICKILBP-LBPRGKRZSA-N 408.679 4.599 0 40 HJAB COc1ccc(-c2nc(CNC(=O)c3ccc(Br)cc3)cs2)cc1 15832646 TULZAUSIWMPGKN-UHFFFAOYSA-N 403.301 4.511 0 40 HJAB C[C@@H](O)CNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 16576469 UFJWAWLCPUUMFY-LLVKDONJSA-N 419.146 4.805 0 40 HJAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)c(C)c1 16841458 VSTRHLFVPHBCEA-UHFFFAOYSA-N 406.486 4.883 0 40 HJAB Cc1cc(C)nc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)n1 17089421 PZJVOEURMLALHE-CSKARUKUSA-N 412.902 4.533 0 40 HJAB C[C@@H](OC(=O)c1ccc(Cl)cc1F)C(=O)Nc1nc(-c2ccccc2)cs1 18807597 OTWZRKXOPNJDFZ-LLVKDONJSA-N 404.850 4.787 0 40 HJAB COc1ccc(CC(=O)N(CCc2ccccc2)Cc2ccc(C)s2)cc1OC 19296279 WAXJKKJGHIHHAV-UHFFFAOYSA-N 409.551 4.888 0 40 HJAB Cn1cc(CN2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)cn1 19688439 CDNHXXGDSRPJMK-NRFANRHFSA-N 400.448 4.762 0 40 HJAB CCn1cc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)c(C)n1 19694346 LLAUMXMLTMZYAY-QFIPXVFZSA-N 422.552 4.601 0 40 HJAB COc1ccccc1CN(C)C(=O)COc1ccc2ccccc2c1Br 20048467 VVOFKGCOTODTRI-UHFFFAOYSA-N 414.299 4.648 0 40 HJAB COc1ccccc1CN1COc2c(Cl)cc3c4c(c(=O)oc3c2C1)CCCC4 20502024 WQSDPCMVSOZWOR-UHFFFAOYSA-N 411.885 4.686 0 40 HJAB CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3)nn12 20609816 YCKXEVVEXFTFGV-UHFFFAOYSA-N 421.526 4.845 0 40 HJAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1ccc(C(C)C)cc1 20610966 LGBAMJNZJKVVAU-UHFFFAOYSA-N 400.482 4.870 0 40 HJAB COc1cc(CNC(=O)c2ccc(CSc3ccccc3)cc2)cc(OC)c1OC 23958808 MQMNJGDENYQWLZ-UHFFFAOYSA-N 423.534 4.935 0 40 HJAB O=C(N[C@H](NCCc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 24302799 TZAWROXJAKCLJW-INIZCTEOSA-N 406.140 4.598 0 40 HJAB CCOCc1c(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)oc2ccccc12 27569987 NZUQITLAYAWBGB-NRFANRHFSA-N 422.525 4.545 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccnc1 28305530 ZASMQZVXQYPIFF-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB COc1cccc([C@H](CNCc2ccccc2OCc2cccnc2)N2CCCC2)c1 30544758 FLCUFRZUEKQPIN-VWLOTQADSA-N 417.553 4.596 0 40 HJAB Cc1ccn2c(=O)cc(CSc3ccccc3NC(=O)c3ccc(F)cc3)nc2c1 33025947 KHJYXFSGPJJVLL-UHFFFAOYSA-N 419.481 4.687 0 40 HJAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)s3)sc2c1 36354616 BFEZQTSKTSQYJC-UHFFFAOYSA-N 414.533 4.681 0 40 HJAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)c(OC)c1OC 36357767 UUKFSZNSZANYCU-OAHLLOKOSA-N 413.861 4.675 0 40 HJAB O=C(CSCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1cccc(F)c1 40067464 QLRVFMWWISOIBL-UHFFFAOYSA-N 411.380 4.766 0 40 HJAB Cc1c(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)oc2c1C(=O)CCC2 40134191 QYBICUWHSXZIJS-INIZCTEOSA-N 404.466 4.572 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2cccc(OC)c2)cc1OCC 44900259 DVTCRGIAKZMHBH-JXFKEZNVSA-N 401.503 4.527 0 40 HJAB Cc1cc(NC(=O)c2ccc(Br)o2)cc(C)c1I 57313269 CRTGDGKDRWXKEL-UHFFFAOYSA-N 420.044 4.516 0 40 HJAB CC[C@H](NC(=O)N(C)CC(=O)Nc1c(C)cccc1C)C12CC3CC(CC(C3)C1)C2 58291606 FHCSNOVVJKMYJE-OOTRUBSTSA-N 411.590 4.878 0 40 HJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)c1 59309200 WGJCCYQTIYBQIE-UHFFFAOYSA-N 424.419 4.861 0 40 HJAB Cc1cccc(OCCCNc2cc([C@H](C)Cn3nc(C)c(C)c3C)nc(C)n2)c1 72373191 XSDOGNHOKRUEPV-QGZVFWFLSA-N 407.562 4.900 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 77099919 ZAUKEQYLGLGUMQ-LJQANCHMSA-N 412.537 4.527 0 40 HJAB Cc1ccc2nc(N3CC(C(=O)Nc4ccc(Br)cc4F)C3)sc2c1 77101409 YWRSKJCRYMLCAY-UHFFFAOYSA-N 420.307 4.581 0 40 HJAB COc1ccc(-c2csc3ncnc(N[C@@H](c4nnc5n4CCC5)C(C)C)c23)cc1 79063698 GJTXXDZARORPAK-LJQANCHMSA-N 420.542 4.714 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2c[nH]nc2-c2ccccc2)S1 96117086 VMNABKYRQLHYGG-HNAYVOBHSA-N 423.542 4.583 0 40 HJAB CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)c3ccoc3C)CC2)c2ccccc21 96242328 FMMCXVPAIZEACZ-IBGZPJMESA-N 408.542 4.508 0 40 HJAB O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccc(C(F)(F)F)nc1 96357894 GRCCEBRNKFGBSR-UHFFFAOYSA-N 414.343 4.587 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H](C)c3ccccc3)CC2)on1 100743626 YYUAPBLPRRPGSO-QFUCXCTJSA-N 418.541 4.942 0 40 HJAB COc1ccc(-c2csc(C3=C(O)CN(c4cc(OC)ccc4OC)C3=N)n2)cc1 102734559 TVXWQRSYFQNHBH-UHFFFAOYSA-N 423.494 4.602 0 40 HJAB COc1ccccc1[C@@H](C)N(C)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 105724982 PCHBIBOVPVYHID-IXDOHACOSA-N 415.509 4.673 0 40 HJAB CC(C)c1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 113955348 KLNLJIGHXJWDRH-UHFFFAOYSA-N 408.951 4.648 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O 136532831 ZTJNRSNOICUHNI-OALUTQOASA-N 404.510 4.743 0 40 HJAB CCc1nc(S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)O)n[nH]1 213393279 HHYROCOSQHJSAP-BOPFTXTBSA-N 415.902 4.817 0 40 HJAB COC(=O)c1cn(C(=O)COc2c(C)cc(C)cc2Br)c2ccccc12 216831101 KRDLRICKEANKIL-UHFFFAOYSA-N 416.271 4.526 0 40 HJAB C[C@H](Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)c1ccccc1)c1ccccc1 217478036 VKIXHDNJTZEGLQ-DLBZAZTESA-N 424.522 4.597 0 40 HJAB CCOc1ccc(CCCNC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219471846 CIBXKCOXXSBSSP-UHFFFAOYSA-N 416.521 4.728 0 40 HJAB CC[C@H](NC(=O)COc1ccc(I)cc1)c1ccc(C)c(C)c1 219836182 OTTXJZRSQHMZLG-SFHVURJKSA-N 423.294 4.554 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(C)c1 223083850 FSDWHYZHRNUBBG-MSOLQXFVSA-N 400.950 4.523 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 223086998 OKLCTXWRCMJSEM-IBGZPJMESA-N 414.977 4.915 0 40 HJAB CC(C)(C)c1ccccc1OCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 223701336 ZLSRREJQQFUYED-UHFFFAOYSA-N 416.370 4.789 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 223717872 OVZYFEDHXRPKRK-OAQYLSRUSA-N 414.977 4.647 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)COc1ccccc1C 224155076 HACKSWGUROYFFU-QHCPKHFHSA-N 422.569 4.548 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)cc1C 224266880 WHBSEAKLYXKILY-IBGZPJMESA-N 414.977 4.689 0 40 HJAB Cc1cccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 224538251 XRJWEDDBCDHEGM-UHFFFAOYSA-N 421.368 4.709 0 40 HJAB Cc1cccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)C)c1 225515481 HAAZKQXXQRMSHT-INIZCTEOSA-N 421.368 4.786 0 40 HJAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1Cl 225575586 ZEJLYNRRLUBOLK-HNNXBMFYSA-N 421.896 4.580 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 225641511 SWQQFEYUYFDFGC-GCJKJVERSA-N 414.977 4.913 0 40 HJAB Cc1nc2ccccn2c1-c1nnc2sc(CSc3ccc(Cl)cc3)nn12 227144070 HODZFYWRPQTRLO-UHFFFAOYSA-N 412.931 4.755 0 40 HJAB COCCC(=O)N[C@]1(C)C[C@H](c2cccc(C(F)(F)F)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257293060 QNYOQSLONXSEGE-BLVIHDEWSA-N 413.480 4.883 0 40 HJAB COc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1OC 408610002 PZSYIKUGVKLRSF-UHFFFAOYSA-N 421.637 4.713 0 40 HJAB CN(C)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1 408962553 ZAQLZIRFEMZALF-STZFKDTASA-N 421.497 4.919 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccncc2)n1CC(C)C 409095005 GYUNXOYVDXKTBQ-UHFFFAOYSA-N 415.950 4.689 0 40 HJAB O=C(COc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O)NCc1ccccc1 937797 AMKPQNKQXBLNBU-UHFFFAOYSA-N 419.864 4.809 0 40 HJAB CCOC(=O)c1c(NC(=O)/C(Br)=C/c2ccccc2)sc2c1CCC2 955908 SIJHCGCVGAKXHI-KAMYIIQDSA-N 420.328 4.788 0 40 HJAB CCCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(OC)cc4)nc3c2)c1 2062630 KKUSFICKMJFPQO-UHFFFAOYSA-N 416.481 4.860 0 40 HJAB COC(=O)c1ccccc1NCc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 2123864 RHZPSCJTVPHJNZ-UHFFFAOYSA-N 401.418 4.564 0 40 HJAB biogenic CCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)C1=O 2168149 OSDSSIGLKQNHCI-UNOMPAQXSA-N 401.459 4.860 0 40 HJAB CCOc1ccccc1OCCn1c(-c2ccc(OC)cc2)nc2ccccc2c1=O 2343799 MWTOQFVPZFWAAI-UHFFFAOYSA-N 416.477 4.550 0 40 HJAB CCOC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc2c1CCCCCC2 2794927 SEGSYZIHPXLRPV-UHFFFAOYSA-N 417.527 4.853 0 40 HJAB O=c1c2sccc2nc(SCc2ccccc2)n1Cc1ccc2c(c1)OCO2 2925162 AOVKNSRJVUKSIX-UHFFFAOYSA-N 408.504 4.527 0 40 HJAB COc1cc2c(cc1NC(=O)COC(=O)c1cccnc1SC)oc1ccccc12 3323058 VZZKTTACBZKHGN-UHFFFAOYSA-N 422.462 4.507 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)N1CCCCC1 3506324 NUJBZMXOQLOPLI-UHFFFAOYSA-N 402.539 4.694 0 40 HJAB CCCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 3604128 HXSWGCFHYZWGJB-UHFFFAOYSA-N 400.935 4.596 0 40 HJAB O=C1/C(=C/c2ccccc2OCc2cccc(F)c2)NC(=S)N1C1CCCCC1 3667725 XJSJWXJJBKGKFE-ZHZULCJRSA-N 410.514 4.795 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3cccc4ccccc34)n2C)c1 4700418 FUEFBRRAELQJHR-UHFFFAOYSA-N 416.550 4.907 0 40 HJAB Cc1ccc(C)c(NC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)c1 5162904 KTVXTLHHFMATLT-ZODMCCGTSA-N 410.533 4.749 0 40 HJAB Cc1ccc(-n2nc(C)c3c(Cl)c(C(=O)NCc4ccc(F)cc4)cnc32)cc1 5314527 BDLJUPDQNHGSEV-UHFFFAOYSA-N 408.864 4.760 0 40 HJAB COc1ccccc1NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 5633354 TVWHGXYWMOHNLH-DEOSSOPVSA-N 416.521 4.607 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2C)c(C)n1Cc1ccccc1 5864218 KURFYCUGXFWGKD-UHFFFAOYSA-N 406.511 4.517 0 40 HJAB O=C(COc1ccccn1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 6346479 WKOABPWXFMDLAK-DEOSSOPVSA-N 407.473 4.992 0 40 HJAB CC(=O)c1cccc(NC(=O)c2cc(Br)c(Br)s2)c1 6376780 NBKSTGHOAMNXSI-UHFFFAOYSA-N 403.095 4.728 0 40 HJAB O=c1/c(=C\c2ccccc2OCc2ccccc2Cl)sc2nc3ccccc3n12 6446051 AQAGZWYPCDKLHT-FYJGNVAPSA-N 418.905 4.689 0 40 HJAB O=C(NC1CCCCCCC1)c1ccc2c(=O)n(-c3ccccc3)c(=S)[nH]c2c1 6510198 WVMKVHLTUCBHSN-UHFFFAOYSA-N 407.539 4.891 0 40 HJAB CCOc1ccc(C(C)=O)cc1COc1ncnc2ccc(Br)cc12 6599804 WOCZSMUGQFLHSB-UHFFFAOYSA-N 401.260 4.573 0 40 HJAB Cc1[nH]c(SCC(=O)Nc2ccc(N3CCCC3)cc2)nc1Cc1ccccc1 7098898 JBLYMIXUECMIAK-UHFFFAOYSA-N 406.555 4.640 0 40 HJAB COc1ccc(-c2cc(N[C@@H](C)C(=O)N3CCc4ccccc43)ccc2OC)cc1 7363992 KPTSFEOPFZLVAB-KRWDZBQOSA-N 402.494 4.761 0 40 HJAB COc1ccc(-c2noc(CN(C(=O)c3ccc(F)cc3)C3CCCCC3)n2)cc1 7720303 SCTLNAKLZSUQOV-UHFFFAOYSA-N 409.461 4.859 0 40 HJAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1cccc(Br)c1 7922140 DUZJNFUWUFTQLF-LBPRGKRZSA-N 404.333 4.690 0 40 HJAB COc1cccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)c1 8166623 AULUFJLJTOPYAE-MHWRWJLKSA-N 404.285 4.694 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](NC[C@@H]1COc2ccccc2C1)c1ccccc1 9315076 KRQPQYTZIDADTM-CLOONOSVSA-N 416.521 4.524 0 40 HJAB CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)c1ccccc1 9327928 JVBMIJGFLUNOJM-UHFFFAOYSA-N 407.539 4.731 0 40 HJAB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 10010365 HQROCSBMJQOUFD-UHFFFAOYSA-N 413.949 4.558 0 40 HJAB COc1cccc(C(=O)N2c3ncnn3[C@H](c3ccc(C)cc3)C[C@@H]2c2ccccc2)c1 10060307 YFKWNKXERRLMPB-RPWUZVMVSA-N 424.504 4.976 0 40 HJAB Cc1cccc(-n2c(SCC(=O)N3CCCC[C@@H]3C)nnc2-c2ccccc2)c1 12350056 OAGKVBAMZLVTNL-SFHVURJKSA-N 406.555 4.736 0 40 HJAB CCc1ccc(-c2noc(C[C@@](O)(c3nc4ccccc4s3)C(F)(F)F)n2)cc1 12915441 XFCOPDNHKUPEMS-LJQANCHMSA-N 419.428 4.901 0 40 HJAB C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(F)cc1F 12971534 GCWYIJKRUKILAZ-INIZCTEOSA-N 422.475 4.848 0 40 HJAB O=C(OCn1nnc2ccccc21)c1cc(/C=C/c2ccccc2)nc2ccccc12 13942892 SFKNAGWLMAIBRV-CCEZHUSRSA-N 406.445 4.964 0 40 HJAB COc1cc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)c(OC)c4)csc32)ccc1O 15106973 NHEBUGWPSFIMMS-AWEZNQCLSA-N 411.479 4.621 0 40 HJAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCc3nc4ccccc4[nH]3)cc12 15913218 IPWTYPWFDPOFLZ-UHFFFAOYSA-N 421.913 4.855 0 40 HJAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccs4)ccc3O)oc2c1 17088274 IYLIFLNAQGBAQL-UHFFFAOYSA-N 409.492 4.697 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19333232 PSAVDZJZZTVEHN-CQSZACIVSA-N 405.395 4.670 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(F)cc2)sc2c1CCCC2 19934226 NBNNAYFJPYHJPR-INIZCTEOSA-N 405.491 4.739 0 40 HJAB CC(C)OC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1 20404819 FRMGCELYHJCCSK-UHFFFAOYSA-N 415.537 4.558 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1OCC 20456326 ZVPQSGJNTGLHDX-JKSUJKDBSA-N 403.544 4.851 0 40 HJAB COC(=O)c1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1C 20484341 DYQVQFULIOORPS-UHFFFAOYSA-N 414.505 4.987 0 40 HJAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(-c3csc(C)n3)cc2)no1 21471740 PEDWIZSHILSXPZ-UHFFFAOYSA-N 406.467 4.641 0 40 HJAB C[C@H]1c2ccsc2CCN1C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 21840615 MYAXUNBLIGXAPQ-NSHDSACASA-N 402.317 4.660 0 40 HJAB CCn1cc(C(=O)N[C@H](C)c2ccc(OC)cc2)c(=O)c2cc(C(F)(F)F)ccc21 22237028 PKFAMGMBSOMPQJ-CYBMUJFWSA-N 418.415 4.540 0 40 HJAB CCc1cc2c(=O)n(Cc3csc(COc4ccc(Cl)cc4)n3)cnc2s1 24828904 GMTKUJWNALXAQE-UHFFFAOYSA-N 417.943 4.758 0 40 HJAB COc1ccc([C@H](NC(=O)CSc2ncnc3sccc23)c2ccccc2)cc1 25607204 CAKMMTWYSCPDGQ-HXUWFJFHSA-N 421.547 4.698 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(Cc2ccc(F)cc2)c1 27920544 ARRXEMJGDIMTFS-LBPRGKRZSA-N 408.260 4.783 0 40 HJAB CSc1ccccc1NC(=O)CN(C)C(=O)c1cc(F)c(Cl)cc1Cl 31549702 WXPMEHHHKAVVCE-UHFFFAOYSA-N 401.290 4.565 0 40 HJAB COc1ccc2cc([C@H](C)C(=O)N[C@H](c3ccc(F)cc3)c3nccn3C)ccc2c1 32830715 FBUADDGIKLEDFL-QMHKHESXSA-N 417.484 4.730 0 40 HJAB Nc1c(C(=O)Nc2nc3ccccc3s2)sc2nc3cc4c(cc3cc12)OCO4 35288933 NYGFGCSJDJSRRF-UHFFFAOYSA-N 420.475 4.622 0 40 HJAB COc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(F)cc3F)nc12 35590008 NPCCNOCPGULVTA-UHFFFAOYSA-N 411.433 4.825 0 40 HJAB CCOc1ccc(NC(=O)c2sc3ncn(C4CCCCC4)c(=O)c3c2C)cc1 35672946 PKPJZTOFYRCXIB-UHFFFAOYSA-N 411.527 4.923 0 40 HJAB Cc1ccc(-c2csc3c(=O)n(CC(=O)Nc4ccccc4Cl)cnc23)cc1 38651681 CBFPDYQOHSTDON-UHFFFAOYSA-N 409.898 4.726 0 40 HJAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 38772040 YSFWBNNYZBGREV-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1nc(CSCCC(=O)N2CCC(c3nc4ccccc4o3)CC2)cs1 40069594 CXZLJFMVKGYRJC-UHFFFAOYSA-N 401.557 4.622 0 40 HJAB Cc1nc2cc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)ccc2o1 40079768 MMZKCTLRGFZDJA-QGZVFWFLSA-N 418.280 4.686 0 40 HJAB CCC(=O)N1CCc2cc(C(=O)Nc3nc(-c4ccc(OC)cc4)c(C)s3)ccc21 48346148 IYYVDQORQAAWRD-UHFFFAOYSA-N 421.522 4.679 0 40 HJAB CCCCCNC(=O)C1CCN(c2cc(Sc3cc(C)ccc3C)ncn2)CC1 49402002 TZROZEOYLNQRNR-UHFFFAOYSA-N 412.603 4.767 0 40 HJAB CC(C)C[C@@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1cccc(C(F)(F)F)c1 58217429 LZYLGZPNHVYKHL-GOSISDBHSA-N 419.509 4.656 0 40 HJAB Cc1nnc(N2CC[C@H](c3c(C(=O)N(C)C)sc4ccccc34)C2)c2ccccc12 72352344 RMEDOIMZGLQXOR-INIZCTEOSA-N 416.550 4.849 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 72398554 KWMBVWIQXVVXSN-UTKZUKDTSA-N 418.368 4.868 0 40 HJAB C[C@@H]1CN(c2ccc(NC(=O)N3C[C@H]4CCCC[C@@]43c3ccccc3)cc2)CCO1 89941162 HSZRIVXKASPRDP-DZRGJMJISA-N 405.542 4.845 0 40 HJAB OC1=Nc2ncn(-c3cccc(Br)c3)c2[C@@H](c2ccc(O)cc2)SC1 95474841 DJODHKHVOVHIBZ-QGZVFWFLSA-N 416.300 4.765 0 40 HJAB COc1cc(OC)c(CCC(=O)NCc2ccccc2-c2ccsc2)c(OC)c1 96122914 HZVWWVNVKGNTGZ-UHFFFAOYSA-N 411.523 4.690 0 40 HJAB CCc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 115097759 SBNPZGKAAHZLBP-QGZVFWFLSA-N 408.523 4.541 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118914787 VKYNIUNDLMIOEQ-ZBZGLXGNSA-N 402.575 4.983 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 222456385 LPCAZIXZTCHBFY-OAQYLSRUSA-N 400.950 4.523 0 40 HJAB COC(=O)c1cn(C(=O)C2CCN(Cc3ccccc3Cl)CC2)c2ccccc12 222624995 SMZXMLUWADLLSN-UHFFFAOYSA-N 410.901 4.634 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 222982788 PFVIFFWGPPTZBJ-FQEVSTJZSA-N 424.585 4.697 0 40 HJAB O=C(NCCc1ccccc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223075216 MPJBTMZPTFYFBK-UHFFFAOYSA-N 418.924 4.906 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C 223261382 CLARHMSCPDQWKP-HSZRJFAPSA-N 408.586 4.876 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 225103355 GHEXJGIBTGRHNN-QFIPXVFZSA-N 412.599 4.729 0 40 HJAB COC(=O)c1cc(NC(=S)NCCCSc2ccc(OC)cc2)ccc1Cl 225803358 PLDQVKLMEFWSFK-UHFFFAOYSA-N 424.975 4.604 0 40 HJAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)c2ccccc2)CC1 257244177 IKFHNZFULDQWSK-QAQDUYKDSA-N 421.566 4.702 0 40 HJAB O=C(O)c1cccc(CN2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)c1 257272055 NAXFMLKTGAAMFB-IBGZPJMESA-N 410.901 4.997 0 40 HJAB CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 257279459 OGTKNKVFMQYXSH-HYBUGGRVSA-N 418.581 4.686 0 40 HJAB O=C(CCc1ccccc1)NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1 257328284 XEZXAKJWQOYDOA-AQYVVDRMSA-N 400.526 4.561 0 40 HJAB CCc1nnc(S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)O)o1 408631383 IGNNJBPPRFYDJD-ZROIWOOFSA-N 421.272 4.872 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OCC 408681499 WWBRWFBRQVKKAW-UHFFFAOYSA-N 423.840 4.957 0 40 HJAB Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3N3CCC(C)CC3)CC2=O)c1C 408709114 XUFZOSZGOHDOJC-HXUWFJFHSA-N 405.542 4.531 0 40 HJAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 409363927 UXYPFPHMCTYKRI-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB O=C(CCCn1ccnc1)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 590257276 KQDHKDPSVJATNX-UHFFFAOYSA-N 403.404 4.900 0 40 HJAB COc1ccccc1NC(=O)CSc1nc2ccccc2n1Cc1ccccc1 645147 CSCXQLMAUSUTQM-UHFFFAOYSA-N 403.507 4.824 0 40 HJAB COC(=O)c1c(NC(=O)C2CCCCC2)sc(C(=O)Nc2ccccc2C)c1C 778372 QWRLKLCKCYQHKK-UHFFFAOYSA-N 414.527 4.923 0 40 HJAB O=S(=O)(Cc1cc(Sc2ccccc2)nc(-c2ccncc2)n1)c1ccccc1 1387492 IGYXBIWQRLGLER-UHFFFAOYSA-N 419.531 4.664 0 40 HJAB COc1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1OC 2146864 UQMQZTVSDJRSDN-UHFFFAOYSA-N 421.449 4.745 0 40 HJAB biogenic O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccc(C2CCCCC2)cc1 2621231 FGWJPEAPVBFFKU-AREMUKBSSA-N 416.521 4.701 0 40 HJAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)on3)c3ccccc3n2)c(C)c1 2630535 ZMOTZTLINZJQRU-UHFFFAOYSA-N 415.449 4.611 0 40 HJAB CCN(CC)C(=S)SCC(=O)Nc1ncc(Cc2ccccc2Cl)s1 2671059 LYOZSQKQLKAUEJ-UHFFFAOYSA-N 414.021 4.686 0 40 HJAB Cc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccc(Cl)cc2)cc1 3400148 NZQVXVDCVLDODP-UHFFFAOYSA-N 412.946 4.611 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(CNc3cccc(Cl)c3)n2C)cc1 4130256 JABMQMFQLKLXEF-AWEZNQCLSA-N 415.950 4.508 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4174670 HKHQLIVJCSXRRW-APXZJMAWSA-N 423.553 4.840 0 40 HJAB CC(C)(C)C(=O)COC(=O)c1ccc(COc2ccc(Br)cc2)cc1 4593195 DCGGARODKTUMBW-UHFFFAOYSA-N 405.288 4.800 0 40 HJAB COc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)c1 4616231 IWFULUCNQGJGFK-UHFFFAOYSA-N 416.433 4.955 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 4747723 NXBHXJUJLANLDR-HZPDHXFCSA-N 400.544 4.508 0 40 HJAB COc1ccccc1[C@H]1C[C@@H](c2ccc(C)cc2)N(C(=O)C(C)(C)C)c2ncnn21 4816949 PLCBKNKJQCBAOZ-VQTJNVASSA-N 404.514 4.709 0 40 HJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc(OC(C)C)c1 4973343 DJVOEPFDBYFNAD-UHFFFAOYSA-N 403.438 4.938 0 40 HJAB Cc1cc(C)c(S(=O)(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)c(C)c1 5108299 MEYUBPVQXILTLT-UHFFFAOYSA-N 418.559 4.704 0 40 HJAB COc1ccc([C@]2(C(=O)Nc3c(C)cccc3C)CC(=O)N2c2ccccc2)cc1 5484123 GXLKBZFVHYUVNL-VWLOTQADSA-N 400.478 4.583 0 40 HJAB CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@@H](C)CC)cc1 5825022 ZOIXLMKIOZWTJH-IFXJQAMLSA-N 403.548 4.903 0 40 HJAB O=C(Cc1ccc2c(c1)OCCO2)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 6272060 KGEMVWGNMIKHHL-UHFFFAOYSA-N 405.294 4.677 0 40 HJAB CCCn1c(C)cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c1C 6610399 RFWSMGYPBKSUGF-UHFFFAOYSA-N 400.573 4.954 0 40 HJAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2F)no1 6922294 QSOAKWAWKRXCSR-SFHVURJKSA-N 410.788 4.632 0 40 HJAB CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC)cc1 7261883 PAVHAVUSYXANPS-QFIPXVFZSA-N 421.493 4.554 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc(C(=O)Nc2ccccc2)cc1 8092637 JLZBMHGZPSOVOG-UHFFFAOYSA-N 401.510 4.626 0 40 HJAB Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CSc2nccc(C)n2)n3C)c1 8992715 HJVLLEPRCVWXBZ-UHFFFAOYSA-N 403.511 4.525 0 40 HJAB O=C(Cn1c(=O)cnc2ccccc21)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 9465433 GOMWKDHATSBOOF-UHFFFAOYSA-N 417.079 4.649 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O 10187769 UYMJHHXIUFJAPM-UHFFFAOYSA-N 421.255 4.603 0 40 HJAB COc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 11284468 NEHSJWSDSUHDIZ-QZTJIDSGSA-N 418.493 4.592 0 40 HJAB O=C(CCCNC(=O)c1ccco1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 12099073 TXYQNBSEYKIWNW-UHFFFAOYSA-N 406.526 4.896 0 40 HJAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccco2)c1 12777678 CBCFXQBVZXOOJB-KRWDZBQOSA-N 418.522 4.962 0 40 HJAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 12910627 QJDAZIJZHYCWOA-IBGZPJMESA-N 424.497 4.782 0 40 HJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)C1=NN(c2ccccc2)C(=O)CC1 13114906 AYRSSRABPLDXCW-UHFFFAOYSA-N 424.913 4.509 0 40 HJAB O=C1C[C@H](c2ccccc2)Cc2nc3nc(SCc4cccc(Cl)c4)nn3cc21 13634231 LFXILRVSLRNJSY-MRXNPFEDSA-N 420.925 4.983 0 40 HJAB CCCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1Cc1ccco1 13735192 ASKZRFOEDCAZRH-UHFFFAOYSA-N 414.527 4.626 0 40 HJAB CC(C)Cn1c(SCC(=O)N(C)C2CCCCC2)nc2ccc(Cl)cc2c1=O 13987877 ZPJRKWPBIGAEPT-UHFFFAOYSA-N 421.994 4.589 0 40 HJAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(N2CCCCC2)cc1 14397145 KCEMVLBPVIFBAD-UHFFFAOYSA-N 413.521 4.859 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 14582732 SXRGIGKKEFLMCF-LBPRGKRZSA-N 405.932 4.890 0 40 HJAB Cc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 15106590 HEHDVUMKJDKXOG-OAHLLOKOSA-N 406.463 4.512 0 40 HJAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(Br)cc1Br 16130742 FKRMWDUFYRSWQQ-CMDGGOBGSA-N 417.122 4.624 0 40 HJAB CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)[C@@H]1c1ccc(OC)cc1 19165553 BFXBNYSUNSMMGG-VWNXMTODSA-N 422.525 4.616 0 40 HJAB COc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1-c1ccc(CO)o1 20143992 RUKCCSCXGNTOLU-UHFFFAOYSA-N 409.482 4.763 0 40 HJAB CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1C 20460586 LURKYZVGIFAZJR-UHFFFAOYSA-N 414.505 4.987 0 40 HJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cncc(Br)c1 21580586 UPOSJNSKVFFSIN-UHFFFAOYSA-N 423.270 4.648 0 40 HJAB COc1ccc(Nc2nc(Nc3ccc(Cl)cc3)c3cnn(C)c3n2)c(OC)c1 21873521 RBVNLSXKUPZKDS-UHFFFAOYSA-N 410.865 4.521 0 40 HJAB CCOc1ccc(CCNC(=O)c2cccnc2Nc2ccccc2)cc1OCC 22071998 PODNYTPGAQPBAA-UHFFFAOYSA-N 405.498 4.595 0 40 HJAB CCCOc1ccccc1OC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 22917790 ZCRQMHBQBRTTMU-UHFFFAOYSA-N 412.511 4.501 0 40 HJAB COc1cccc([C@H](CNC(=O)c2ccc(SC(F)F)cc2)N2CCCC2)c1 24830633 GJOKYTDTNSVNDH-IBGZPJMESA-N 406.498 4.577 0 40 HJAB Cc1ccc(C)c(OCc2nnc(S[C@H](C(=O)N3CCCC3)c3ccccc3)o2)c1 26491902 QQHSXWJBOXVFTF-NRFANRHFSA-N 423.538 4.721 0 40 HJAB O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCc1nnc2ccccn12 26504278 HDHDGBBPUGVHAR-QFIPXVFZSA-N 422.941 4.522 0 40 HJAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 27912261 FFYPSEBSUAZRPN-JTQLQIEISA-N 406.294 4.595 0 40 HJAB COc1ccc(-c2nc(CS[C@@H](C)C(=O)NCc3cccs3)cs2)cc1 31413631 DGTBMCZLVFFPRC-ZDUSSCGKSA-N 404.582 4.818 0 40 HJAB CC(C)c1ccc(C(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)c(C(C)C)c1 31745320 XSESNIVUWUGFFR-UHFFFAOYSA-N 420.600 4.554 0 40 HJAB Fc1cccc(COc2c(Cl)cc(C(=S)N3CCOCC3)cc2Cl)c1 33792227 BPAAZCLYJOQOMT-UHFFFAOYSA-N 400.302 4.719 0 40 HJAB Nc1c(C(=O)c2ccc(F)cc2)sc2sc(C(=O)c3ccc(F)cc3)c(N)c12 36559059 GQWDNOHJSCTYLZ-UHFFFAOYSA-N 414.458 4.867 0 40 HJAB CCOc1ccc(Br)cc1/C=C1\Sc2nnc(C(F)F)n2N=C1C 36610915 SWOLWCOAFCVJLW-GHXNOFRVSA-N 415.263 4.748 0 40 HJAB COC(=O)c1cc(-c2cccc(OC(F)F)c2)nc2c(-c3ccccc3)c(C)nn12 36615698 KKWXAHMUJYYPQJ-UHFFFAOYSA-N 409.392 4.760 0 40 HJAB CCc1cc(C(=O)NCc2ccccc2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621699 BFCQYOWKYYUCBL-UHFFFAOYSA-N 414.484 4.929 0 40 HJAB C[C@H](CN1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1 36719523 AMPDDSIZYOYEQN-CBQOVEMMSA-N 420.582 4.525 0 40 HJAB CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3N(C)c3ccccc3)CC2)cc1 40119761 ZYIRXGKXDNRSDH-UHFFFAOYSA-N 413.521 4.620 0 40 HJAB CC(C)c1sc(NC(=O)C2CCN(c3ncccn3)CC2)nc1-c1ccccc1 40134240 LJOOAOASVZWVCN-UHFFFAOYSA-N 407.543 4.579 0 40 HJAB O=C(COC1CCCC1)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 44409751 QRVNQONQYFISTP-HXUWFJFHSA-N 417.431 4.747 0 40 HJAB CCOc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 44851431 HKKWIEJSDJFBSP-UHFFFAOYSA-N 414.977 4.700 0 40 HJAB C[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 59255970 NOUUAUQIMCSFGV-SECBINFHSA-N 424.498 4.888 0 40 HJAB CCn1nc(C)c2nc(SCc3ccc(Cl)cc3)n(Cc3ccco3)c(=O)c21 64817511 WWJCNNPMPKNFLU-UHFFFAOYSA-N 414.918 4.508 0 40 HJAB O=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccccc1Cl 72193871 XBUQAVFKFHAQPA-RUZDIDTESA-N 419.908 4.780 0 40 HJAB CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1ncc[nH]1 72370652 LHVIXRSUENPPMS-QGZVFWFLSA-N 410.587 4.750 0 40 HJAB COc1ccccc1CCC(=O)N1CCC[C@H]1c1cccc(Nc2cccc(C)n2)n1 72375257 BEXHHPZNMIWDGB-NRFANRHFSA-N 416.525 4.834 0 40 HJAB COc1ccccc1CCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2Cc1ccccc1 72396205 VUAQNMKHNXECIF-QFIPXVFZSA-N 417.553 4.703 0 40 HJAB NC(=O)c1ccc(NC(=O)N(Cc2cccs2)Cc2cccs2)cc1Cl 95408298 MMUCBSURDALMDT-UHFFFAOYSA-N 405.932 4.796 0 40 HJAB O=C(NCCc1ccccn1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 96147758 GQTAPRCZMMDSJU-UHFFFAOYSA-N 410.433 4.517 0 40 HJAB Cc1c(F)cccc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 98072972 RXNDYGMLSOXNJJ-UHFFFAOYSA-N 412.202 4.716 0 40 HJAB COc1ccc(-c2c(NC(=O)c3cccs3)oc3ccccc3c2=O)cc1OC 101334564 XHYDMXILCIYSLZ-UHFFFAOYSA-N 407.447 4.791 0 40 HJAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)C1C[C@H]2CCC[C@H](C1)C2=O 101413806 BNEAEVNAZZBINV-CHWSQXEVSA-N 406.313 4.572 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)CC1 222660742 SBKMKNHWCRFLLP-GOSISDBHSA-N 412.961 4.643 0 40 HJAB CC(C)C(=O)N(Cc1ccccc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 223348518 VXUMAOMKIFMXLK-VWLOTQADSA-N 414.549 4.771 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223920014 RVCVCGNHRCXYJO-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB CC(C)c1ccccc1NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 224410402 CYYWFHRWDBWVJB-UHFFFAOYSA-N 422.550 4.883 0 40 HJAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 224421223 QIDJHKLAOMCCMX-FCHUYYIVSA-N 415.497 4.584 0 40 HJAB CC(C)(C)c1ccccc1O[C@H](Cc1ccc(I)cc1)C(=O)O 225068005 FQKGIMPLQUDWCT-QGZVFWFLSA-N 424.278 4.663 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 225288785 YTJHCVVWFFJUED-RUZDIDTESA-N 422.569 4.835 0 40 HJAB CC1CCN(CCCNC(=S)Nc2ccc(Br)c(Cl)c2)CC1 225436388 DOCREHRLJVODBS-UHFFFAOYSA-N 404.805 4.511 0 40 HJAB Cc1ccccc1CN(C(=O)CCSCc1ccccc1)[C@H](C)C(=O)NC(C)C 225491148 BJLOEARMZJWWAO-HXUWFJFHSA-N 412.599 4.560 0 40 HJAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCCn3ccnc3)c2)cc1 225521659 DHICWRLCJBPXTG-UHFFFAOYSA-N 420.582 4.788 0 40 HJAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(Br)cc1F 225704093 HSLCLCACIGLIQO-INIZCTEOSA-N 409.324 4.961 0 40 HJAB CC(C)Oc1ccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)cc1 225819678 PIOJUYMHPIXPBW-UHFFFAOYSA-N 402.907 4.664 0 40 HJAB C[C@@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NC3CCCCCC3)n2)C1 226011108 WQCAMEWWWLBFDX-CYBMUJFWSA-N 415.529 4.741 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(Br)c2)c(Cl)c1 226243779 HDLSWUCOFQFRRY-UHFFFAOYSA-N 413.724 4.552 0 40 HJAB CCC(CC)C(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(=O)NC)CC1 257268871 MNPHSHSQSVCEGF-UHFFFAOYSA-N 424.560 4.826 0 40 HJAB CCCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OC)c2)CCC[C@H](C)C1 260842830 XQDUDQGJJARYDS-YGKZAACZSA-N 405.535 4.965 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(CCCc3ccc(OC)cc3)o2)cc1 409016742 RNVYIKLNSSOCSA-UHFFFAOYSA-N 411.527 4.547 0 40 HJAB CO[C@H]1C[C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242828 SZSFPPAYVDIULH-VBVDBJQASA-N 411.496 4.721 0 40 HJAB Cc1cc2cc(C)c3nnc(SCC(=O)N4c5ccccc5C[C@@H]4C)n3c2cc1C 1223257 PNCYNAKETANPAN-KRWDZBQOSA-N 416.550 4.878 0 40 HJAB Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c(C)c1 1379927 LHBJUSIJCPUEDU-JOCHJYFZSA-N 406.482 4.936 0 40 HJAB Cc1cccc(C)c1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccncc1 1380011 QZNDFIVISRWAPA-HSZRJFAPSA-N 417.509 4.738 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)c1C 2627595 KRXQKFGTTHSEES-UHFFFAOYSA-N 400.529 4.713 0 40 HJAB CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)c1 2702763 KWUKELCGCTZSBS-IBGZPJMESA-N 418.474 4.788 0 40 HJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C)c(C)c3)oc12 2951417 ABXWNTYRIVWKND-FLFQWRMESA-N 405.479 4.999 0 40 HJAB COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1 3419619 SSNXGWVRQTWBNJ-HSZRJFAPSA-N 413.521 4.804 0 40 HJAB COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1 3419623 SSNXGWVRQTWBNJ-QHCPKHFHSA-N 413.521 4.804 0 40 HJAB O=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 3477031 KUEDGXAXHBGXSH-UHFFFAOYSA-N 405.881 4.535 0 40 HJAB O=C(COc1ccccc1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 4273203 YZQUBBXYHPWSKN-UHFFFAOYSA-N 409.898 4.957 0 40 HJAB CC(C)C(=O)N1CCCc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc21 5136396 MWPQXLNBPFJCLS-UHFFFAOYSA-N 421.324 4.946 0 40 HJAB C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)N[C@@H](C)c1ccc(F)cc1 5391949 ICNONBCZPBBGCC-RYUDHWBXSA-N 405.882 4.887 0 40 HJAB COc1ccccc1NC(=O)[C@@H](C)n1cnc2sc(C)c(-c3ccccc3)c2c1=O 5486099 WGFWFUXKWNJGCN-CQSZACIVSA-N 419.506 4.642 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)ccc1Br 5739863 MAZLUPCNFCFGNG-UHFFFAOYSA-N 403.320 4.765 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3C)n2C)c(Cl)c1 5859169 SIRQCTHNSYYCJM-UHFFFAOYSA-N 400.935 4.792 0 40 HJAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2cc(C)ccc2C)o1 7605022 NXOOBQVUACPFMU-UHFFFAOYSA-N 403.891 4.746 0 40 HJAB CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 8039401 VWPYSWWERRSBQY-HNNXBMFYSA-N 412.584 4.871 0 40 HJAB COc1ccc(-c2c(C)n[nH]c2-c2ccc(OCCN3CCCCC3)cc2O)cc1 8737847 WXQGDDFASHUDEW-UHFFFAOYSA-N 407.514 4.631 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCc1nn2c(-c3cccc(F)c3)nnc2s1 8990264 KMXPOGOSJOSREU-UHFFFAOYSA-N 418.501 4.580 0 40 HJAB CCc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 9517699 QIGHJRNKTXEPHT-UHFFFAOYSA-N 423.929 4.762 0 40 HJAB CCOc1ccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 9876858 KRXMMIFMENKABJ-UHFFFAOYSA-N 410.370 4.911 0 40 HJAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccncc2)cc1 10215677 JPGIDZKYERKMNA-XUZZJYLKSA-N 401.466 4.731 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)SC2=Nc3ccccc3[C@H]3CC=NN23)c1C 10276859 WQEYANHTYAACLJ-WMLDXEAASA-N 424.526 4.547 0 40 HJAB C1CCC2(CC1)OC[C@@H]([C@H]1OC3(CCCCC3)O[C@@H]1[C@@H]1COC3(CCCCC3)O1)O2 11565572 WGMZNGZBEGHRHH-UWHLTILDSA-N 422.562 4.582 0 40 HJAB COC(=O)c1cccc(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)c1 12223573 DJOJGHLCPSLGJW-UHFFFAOYSA-N 420.494 4.644 0 40 HJAB Cc1ccc(CCn2c(C)c(C)c(S(=O)(=O)c3ccc(Cl)cc3)c2N)cc1 12447703 SHPGJACBJJQNNC-UHFFFAOYSA-N 402.947 4.724 0 40 HJAB O=C(COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)N1CCc2ccccc21 12537633 RIBXGWBLYDBZSI-YDXVBCDDSA-N 415.533 4.657 0 40 HJAB O=C(Cc1csc(COc2ccc(F)cc2)n1)Nc1ccccc1N1CCCC1 12552132 RMDRVGLLMNMDSL-UHFFFAOYSA-N 411.502 4.643 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 12602524 HPCOEJKWESAPFN-INIZCTEOSA-N 405.523 4.881 0 40 HJAB Cc1nn(-c2ccc(Cl)cc2)c2nc3c(cc12)CN(Cc1cccs1)C(=O)O3 12754867 VBZGNLDKDAPHMI-UHFFFAOYSA-N 410.886 4.958 0 40 HJAB CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)COc1ccc(Br)cc1Cl)C2 13109123 LQXUXTBFWOJPLA-PSZVPEGOSA-N 400.744 4.812 0 40 HJAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1Cl 13148625 JUYMUIRVUZGTTR-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB O=C(Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)NCc1cccs1 13716582 QNEZVGQKBBJECY-UHFFFAOYSA-N 408.567 4.762 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)N(Cc2ccccc2)Cc2ccco2)o1 14120373 NNALEOHCFCOQEK-UHFFFAOYSA-N 409.467 4.552 0 40 HJAB O=C(COc1ccc2ccccc2c1Br)N1CCC(c2ccccc2)=N1 14275458 QJYSGHKDEHPWRI-UHFFFAOYSA-N 409.283 4.618 0 40 HJAB O=C(COc1ccc(-c2ccccc2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 15564964 MHBGBIZRMABFLR-HSZRJFAPSA-N 415.489 4.867 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2C)c1 17356931 OZZKPOUPEFKDJX-UHFFFAOYSA-N 400.544 4.509 0 40 HJAB CC(C)C(=O)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 19085514 CTSYXBUYPJBHNJ-SFHVURJKSA-N 419.504 4.783 0 40 HJAB Cc1ccc(OCCCC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2)c(C)c1 19132796 NJURTZQXLKYWJG-OAQYLSRUSA-N 404.514 4.611 0 40 HJAB C[C@H](CN1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1 19456117 AMPDDSIZYOYEQN-SYYKKAFVSA-N 420.582 4.525 0 40 HJAB COc1ccc(CN2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1OC 19574869 HYVQMWVWXLPKAJ-ACWOFJMJSA-N 424.467 4.545 0 40 HJAB Cc1nc([C@H]2CCCCN2C2CCCC2)nc2c1CCC(=O)N2CCc1ccccc1 19696075 YLANPNBTAHOPPP-HSZRJFAPSA-N 418.585 4.777 0 40 HJAB CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2ccccc2C)CC1 19700489 PIQFUDOQDXZSAV-UHFFFAOYSA-N 413.565 4.628 0 40 HJAB CCOc1cc(CN[C@H]2CN3CCC2CC3)cc(Cl)c1OCc1ccccc1 20477124 WLWKIDRVXZRMHZ-NRFANRHFSA-N 400.950 4.502 0 40 HJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)O[C@@H](C)C(=O)N1CCCCCC1 22000561 PFIABKRITNEBSA-AWEZNQCLSA-N 406.935 4.720 0 40 HJAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)OCc2c(C)noc2C)c1 24519827 LDJNRXIFCVEUPO-UHFFFAOYSA-N 417.465 4.569 0 40 HJAB COc1cccc(NC(=O)Nc2nn(Cc3cccc(C)c3)cc2Br)c1 27917438 GYUAATCPHPWPPF-UHFFFAOYSA-N 415.291 4.655 0 40 HJAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1NC(=O)c1ccccc1 29045341 QFTOOCHEQJHDLN-LJQANCHMSA-N 424.504 4.924 0 40 HJAB CCCN1CN2C(Nc3ccccc3)=N[C@@H](c3ccccc3)N=C2N(c2ccccc2)C1 30874474 DUEPNJDZFRHVAJ-XMMPIXPASA-N 424.552 4.972 0 40 HJAB COc1cc(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC 31335545 XKSHUKVYUIUAFI-GFCCVEGCSA-N 412.313 4.781 0 40 HJAB CCCOc1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)c2cccnc12 32624395 HFFAYZKJMWDJDM-UHFFFAOYSA-N 402.450 4.999 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)no1 32740809 OKNYDPCOERCMIR-UHFFFAOYSA-N 421.444 4.961 0 40 HJAB O=C(Nc1nc(-c2ccccc2Cl)cs1)[C@@H]1CCCN1C(=O)c1ccccc1 32759885 AQINGUKBNCNRLD-SFHVURJKSA-N 411.914 4.707 0 40 HJAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(-n2cccn2)cc1C(F)(F)F 32817195 RQINYLAKEJXRLJ-UHFFFAOYSA-N 418.400 4.789 0 40 HJAB COc1ccc(Nc2ccccc2NC(=O)[C@H](C)NC(=O)c2cccc(C)c2)cc1 32981899 WIARCDLLNVCJDJ-KRWDZBQOSA-N 403.482 4.504 0 40 HJAB O=C(CCCc1ncc(-c2ccccc2)o1)NCc1ccc(CN2CCCCC2)cc1 33223166 VNXHLGZPTQCKJN-UHFFFAOYSA-N 417.553 4.967 0 40 HJAB COc1cc(OC)cc(-c2noc(CSc3ccc(-c4ccc(C)cc4)nn3)n2)c1 33262445 HCROVKJMJVYPMJ-UHFFFAOYSA-N 420.494 4.812 0 40 HJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)COc1ccc(Br)cc1 34965907 ODDXXTXQSYQBTF-ZDUSSCGKSA-N 421.360 4.855 0 40 HJAB Cc1nc2cc(F)ccc2n1C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 35314284 NLHWYCNWZRPLKJ-UHFFFAOYSA-N 410.537 4.799 0 40 HJAB COc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCO3)cc1OC 35615861 LWGYRYIUUJVERN-UHFFFAOYSA-N 403.438 4.799 0 40 HJAB Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC[C@@H](C)Cn3cccn3)cc12 36612033 JIDWHOZZSMMGKG-GOSISDBHSA-N 400.526 4.569 0 40 HJAB CCOc1ccc(Oc2ccccc2NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 36644576 QKVWNVHGKFGPAW-LJQANCHMSA-N 402.450 4.942 0 40 HJAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 36660917 WSQWAZGYWRDBBY-QGZVFWFLSA-N 406.482 4.648 0 40 HJAB COc1ccc(OC)c(-c2csc(NC(=O)c3oc4c(c3C)C(=O)CCC4)n2)c1 40129417 BXCRTVKMZMAWNP-UHFFFAOYSA-N 412.467 4.500 0 40 HJAB CC(=O)Nc1ccc(NC(=O)NCCSCc2ccccc2)c(C(F)(F)F)c1 43950209 BQQGCAUOSMGXCX-UHFFFAOYSA-N 411.449 4.719 0 40 HJAB COc1cc(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c(OC)cc1Cl 56560047 NBAZVLQXODFWTC-GOSISDBHSA-N 411.285 4.616 0 40 HJAB CC(C)(C)c1ccc(C(=O)C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 64291657 SAAJWTPNZUHFBI-UHFFFAOYSA-N 413.464 4.567 0 40 HJAB C[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCCO2 64986938 XWGAWNYRSJHOBB-GOSISDBHSA-N 403.478 4.918 0 40 HJAB O=C(c1ccccc1)N1CCCCC[C@H]1C1CCN(c2ncnc3ccsc23)CC1 70004728 ZHLIVKQRPLVVED-NRFANRHFSA-N 420.582 4.993 0 40 HJAB Cn1cc(C(=O)N2CCc3[nH]c4ccc(OC(F)(F)F)cc4c3C2)c2ccccc21 71287464 YCBZBVXHUIMEEN-UHFFFAOYSA-N 413.399 4.757 0 40 HJAB CC(C)CCOc1ccc(CN(CC(C)(C)N(C)C)C(=O)NCC(F)(F)F)cc1 72273973 VLSAZJWDQQKHQY-UHFFFAOYSA-N 417.516 4.526 0 40 HJAB O=C(CSc1ccc(F)cc1)N[C@@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1 77200362 CVRBUECIFBYOKD-MSOLQXFVSA-N 420.481 4.733 0 40 HJAB COC(=O)C[C@@H](c1cccs1)c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 96114517 ODYFTNZMXYODHJ-INIZCTEOSA-N 422.458 4.628 0 40 HJAB biogenic Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc2sc(NN)nc12 216787864 MCNBQWHKNMWGCB-SECBINFHSA-N 411.314 4.603 0 40 HJAB Cc1cccc(CN(C(=O)COc2ccccc2C(C)C)[C@H](C)C(=O)NC(C)(C)C)c1 222745944 GPSKDPCIFJZBKN-HXUWFJFHSA-N 424.585 4.829 0 40 HJAB CCCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222771816 NQMBJTKNMGYHLL-GOSISDBHSA-N 400.950 4.606 0 40 HJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccc(C)cc1 223545292 GNCGDJCMOXOPKU-QFIPXVFZSA-N 424.585 4.530 0 40 HJAB CCCCOCc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1OC 224441236 DGHOGBNDNIFQCV-UHFFFAOYSA-N 416.949 4.628 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 224628676 LGQSFQJMKRXPJY-RUZDIDTESA-N 420.597 4.755 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 225170739 AZINWWDJLCEGBF-ZWKOTPCHSA-N 400.950 4.523 0 40 HJAB COc1cccc(C(=O)N2CCS/C2=C/c2csc(NCc3ccccc3)n2)c1 225256485 OWLLMOWTSQPZKD-DEDYPNTBSA-N 423.563 4.951 0 40 HJAB COC(=O)CCc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 226342139 MMZFIMLVHINJGV-UHFFFAOYSA-N 401.659 4.926 0 40 HJAB O=C(N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 253472848 QCOKBBAEXPECJU-LSTHTHJFSA-N 406.309 4.727 0 40 HJAB CC(C)C(=O)N1CCC[C@H]2[C@@H]1C[C@@](C)(Cc1ccccc1)N2Cc1cccc(O)c1 257286052 PJZWMMINOJTVFS-KYPHJKQUSA-N 406.570 4.615 0 40 HJAB CCn1c(CN2CC[C@H](c3cc(Nc4nccs4)cc(C)n3)C2)nc2ccccc21 257287097 POMXOROOVIRAGU-KRWDZBQOSA-N 418.570 4.949 0 40 HJAB O=S(=O)(N[C@H](c1ccsc1)c1cccs1)c1cccc(C(F)(F)F)c1 390826236 GAEMWUCMZHXAEH-OAHLLOKOSA-N 403.472 4.896 0 40 HJAB COc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2cc(C)ccc2C)n1 408700186 ZHHLNZHROGTXHL-UHFFFAOYSA-N 416.456 4.951 0 40 HJAB Cc1c(C)c(C)c(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c(C)c1C 536840410 QPRVTYBFLOHLCO-FQEVSTJZSA-N 400.588 4.619 0 40 HJAB C[C@@H](C(=O)O)N1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 585263154 PETCOQHDUNTCGE-HNNXBMFYSA-N 408.527 4.601 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 1221531464 SDJSYOYQLWWZSJ-FTEYMNFISA-N 407.549 4.799 0 40 HJAB O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCCCCC1 844972 ZPRMVXIWDAGRNB-UHFFFAOYSA-N 406.383 4.570 0 40 HJAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)/C=C/c2ccccc2)c1 2212895 MRCRGXIFZHXGJK-FMIVXFBMSA-N 401.919 4.605 0 40 HJAB CC(C)c1nc2oc3c(NCc4ccccn4)ncnc3c2c2c1COC(C)(C)C2 2353482 GKDADMLDAFYGBO-UHFFFAOYSA-N 403.486 4.753 0 40 HJAB Cc1cc(C(=O)Nc2ccc(I)cc2)c2cc(F)ccc2n1 2429616 YVOOFJNHOHSSSD-UHFFFAOYSA-N 406.198 4.539 0 40 HJAB O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc2c(c1)OCCO2 2619977 NFXRSFKLGIOJIJ-UHFFFAOYSA-N 422.437 4.530 0 40 HJAB O=C(Nc1ccc(-c2noc(-c3ccccc3Br)n2)cc1)c1ccncc1 2931048 UIXOKWZKBWQYID-UHFFFAOYSA-N 421.254 4.813 0 40 HJAB CCOc1ccc(N[C@@H](NC(=O)c2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 3181091 VLZRVXLTFMZROJ-KRWDZBQOSA-N 401.721 4.932 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)N(C)C2CCCCC2)nnc1-c1cccnc1 3239990 FDJOJOAHKLXRQV-UHFFFAOYSA-N 421.570 4.521 0 40 HJAB COc1ccccc1[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1cc(C)on1 4301845 FDOQHIWTGIMCCS-LJQANCHMSA-N 422.824 4.501 0 40 HJAB COc1ccc([C@@H](Br)[C@H](Br)C(=O)OC2CCCCC2)cc1 4481691 CJEOMHXPSQNGGJ-CABCVRRESA-N 420.141 4.771 0 40 HJAB CCc1cccc2c(C(=O)CSCc3nc4sc(C)c(C)c4c(=O)[nH]3)c[nH]c12 4491623 TZDBASQSDKZISE-UHFFFAOYSA-N 411.552 4.761 0 40 HJAB CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 4596952 MOWJUDJVMBRENS-UHFFFAOYSA-N 414.531 4.872 0 40 HJAB Cc1oc2cc3oc(=O)c(CCC(=O)NCCc4ccccc4F)c(C)c3cc2c1C 5235687 NCAYBNPSPUITRU-UHFFFAOYSA-N 421.468 4.895 0 40 HJAB C[C@H](NC(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O)c1ccccc1 5305462 ZXEPYXIVUUSQQY-INIZCTEOSA-N 417.896 4.589 0 40 HJAB COc1ccc(-c2csc(NC(=O)CSc3nc4cc(C)ccc4[nH]3)n2)cc1 5356632 XOJCGRDEKOHJOJ-UHFFFAOYSA-N 410.524 4.734 0 40 HJAB COc1ccc(/C=C/C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)cc1OC 5422964 NOILCTRBUMRJQV-ZRDIBKRKSA-N 421.497 4.513 0 40 HJAB CCCN1C(=O)S/C(=C\c2cc(Br)c(OCC)cc2OCC)C1=O 5509072 CDBOSYQDGQHDHE-DHDCSXOGSA-N 414.321 4.693 0 40 HJAB Cc1nnc(S/C(=C\c2c(C)n(Cc3ccccc3)c3ccccc23)C(=O)O)[nH]1 6328810 YLZNFGBXWRPYCC-NDENLUEZSA-N 404.495 4.642 0 40 HJAB CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1 6429915 BBHUENZBUGOEBE-UHFFFAOYSA-N 414.465 4.744 0 40 HJAB O=C(c1cc(Oc2ccc(Cl)c(Cl)c2)nc2ccccc12)N1CCOCC1 6584264 DVIYYVQKHNQGIP-UHFFFAOYSA-N 403.265 4.806 0 40 HJAB O=C(CSc1ccc(Cl)cc1)NCc1ccc(-c2nc3ncccc3o2)cc1 6661348 WBTKHUCEHDXLBI-UHFFFAOYSA-N 409.898 4.952 0 40 HJAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1cccc(Br)c1 7580358 DOUFFEVZILITNB-UHFFFAOYSA-N 405.317 4.745 0 40 HJAB Cc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)oc2ccc(Br)cc12 7987144 UKRHIDLFAPLNSM-QGZVFWFLSA-N 413.315 4.508 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1Cl 8840971 USUMVBQSDARNRF-UHFFFAOYSA-N 420.962 4.775 0 40 HJAB COC(=O)c1sccc1Oc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 8857282 VRMUZNJNBVNCSN-UHFFFAOYSA-N 423.899 4.781 0 40 HJAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1 8903829 VNCMJKOUPSHVJQ-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB COc1ccccc1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C 8959282 AVBLLDKECBOWIU-UHFFFAOYSA-N 410.514 4.745 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1OCC 9062544 KWCBXOMUSLEACS-FQEVSTJZSA-N 424.585 4.882 0 40 HJAB O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1ccc(-n2cncn2)cc1 11323418 IAUVHBZFJADBMP-UHFFFAOYSA-N 420.419 4.712 0 40 HJAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 11649799 ICJDTMAHPLSWRJ-UHFFFAOYSA-N 424.309 4.707 0 40 HJAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 12184138 PCTSGGKMJJLAFW-UHFFFAOYSA-N 417.490 4.686 0 40 HJAB Cc1ccc(-c2ccccc2CC2(C(=O)N[C@@H]3CCCOC3)CCOCC2)c(C)c1 12231635 GFHBKDDEPURPAJ-JOCHJYFZSA-N 407.554 4.605 0 40 HJAB CCOc1cc2c(cc1NS(=O)(=O)c1c(Cl)cccc1Cl)O[C@@H](C)C2 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PQUAZNYYMOYQGO-ZWKOTPCHSA-N 421.488 4.942 0 40 HJAB Cc1ccccc1[C@H](OC(=O)CCc1nc(-c2ccc(F)cc2)no1)C(F)(F)F 12993682 GALYTHDHEQHHOY-SFHVURJKSA-N 408.351 4.964 0 40 HJAB COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccncc4)ccc3c2C)c1 13723201 PSTDKJSHCXUBCD-UHFFFAOYSA-N 416.433 4.637 0 40 HJAB biogenic CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1[C@@H](C)Oc1ccccc1 13850051 QIRIDLVFATXXDZ-CQSZACIVSA-N 416.934 4.822 0 40 HJAB COc1ccccc1C(=O)Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1 15107386 AUZUBDOYOYPGEL-UHFFFAOYSA-N 412.493 4.708 0 40 HJAB O=C(N[C@@H](Nc1ccccc1Br)C(=O)c1cccs1)c1ccccc1 16713528 SEXMEPJLEZCSOU-GOSISDBHSA-N 415.312 4.562 0 40 HJAB CCN(C(=O)c1cnccn1)[C@H]1CCO[C@@H](c2cccc(-c3cc(F)cc(F)c3)c2)C1 19712027 MKUBWXMLEMWJIN-JTHBVZDNSA-N 423.463 4.804 0 40 HJAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1c(Cl)cccc1Cl 19937623 UGKPKLAFLKACKG-UHFFFAOYSA-N 408.672 4.578 0 40 HJAB COc1ccc(-c2nc3c(Br)c(N)c(Br)c(C)c3o2)cc1 20343592 RJGSHFSKMYPHHI-UHFFFAOYSA-N 412.081 4.919 0 40 HJAB CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 20765639 SXRWZUGJXXZGAD-UHFFFAOYSA-N 420.534 4.643 0 40 HJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccc(C)cc1 21580054 FWEWWHYWCKSGDR-UHFFFAOYSA-N 416.506 4.674 0 40 HJAB CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 22226921 XAISBPFTCCOHKV-UHFFFAOYSA-N 411.855 4.629 0 40 HJAB Cc1nc(-c2ccccc2)sc1C(=O)NCCOc1cccc(C(F)(F)F)c1 22480156 KYVZRHMHRLDJRV-UHFFFAOYSA-N 406.429 4.946 0 40 HJAB CCc1nc2sc([C@H](c3cccc(C(F)(F)F)c3)N3CCCCC3)c(O)n2n1 22853104 BOSWVKSOYRPYLT-HNNXBMFYSA-N 410.465 4.653 0 40 HJAB C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)[C@@H](c1ccccc1)N1CCOCC1 23873051 VNGUSSDYXGOPJD-CPJSRVTESA-N 400.522 4.545 0 40 HJAB Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cc(C4CC4)nc4onc(C)c34)o2)c1 28477974 HSUZZKODZSKUKB-ZDUSSCGKSA-N 404.426 4.685 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2ccccc2C)c1 28935154 HGJFVDDEDBCEPV-LJQANCHMSA-N 422.550 4.904 0 40 HJAB CC1CCN(c2nccnc2Oc2ccc(C(=O)NCc3ccccc3F)cc2)CC1 33296691 DIDGKVWKHGWKDQ-UHFFFAOYSA-N 420.488 4.574 0 40 HJAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 40140796 XQGKFBNCMORABU-NEPJUHHUSA-N 424.385 4.650 0 40 HJAB C[C@@H]1CCCCN1C(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 59809590 ZUVVYSKJOPBSOD-LJQANCHMSA-N 420.582 4.546 0 40 HJAB Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 72311894 WJNYZCKYEXIVIP-UHFFFAOYSA-N 413.606 4.754 0 40 HJAB O=C(NC1(c2nc(-c3ccsc3)no2)CCCCC1)c1ccc2ccccc2n1 77197565 RKLQXQNKOQSQND-UHFFFAOYSA-N 404.495 4.936 0 40 HJAB CCOCCC1(CNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CCCC1 95993261 KBXHTJWOJXKONS-HXUWFJFHSA-N 401.595 4.596 0 40 HJAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21 96053065 MWNSUTZWAGHYMG-GOSISDBHSA-N 410.583 4.668 0 40 HJAB CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2ON1c1ccccc1 102726155 NJBXYNKCLWDUAR-RLLPEYFOSA-N 406.526 4.890 0 40 HJAB O=C(NC[C@@H]1CCCN1c1nc2ccccc2o1)c1ccc(-c2cccs2)cc1 206773852 OVHXXLROKYGSTA-SFHVURJKSA-N 403.507 4.955 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=S)SCC(=O)Nc1ccc(OC(F)(F)F)cc1 215716235 DZCGZWACRAAWPY-VXGBXAGGSA-N 406.495 4.805 0 40 HJAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 220891407 QZUHBQHZMKCJPC-QGZVFWFLSA-N 418.522 4.684 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 223034525 NNVUXLCGAVUIMS-QGZVFWFLSA-N 420.296 4.826 0 40 HJAB CC[C@@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 223421192 SCWAOPCRPQYLAV-MRXNPFEDSA-N 404.532 4.571 0 40 HJAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1 223840327 LQIRQTVUXAGCFV-UHFFFAOYSA-N 417.870 4.720 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 224132309 LZFOCUYSEYAECK-XMMPIXPASA-N 402.538 4.716 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 224147043 OEGLVLFNXNRSFD-DEOSSOPVSA-N 406.570 4.712 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 224626386 LISDETJAOOQPFT-VWLOTQADSA-N 420.597 4.836 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 224665145 JKZROHFFKXMVDG-JOCHJYFZSA-N 414.977 4.771 0 40 HJAB COc1ccc([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 225523435 IJTDAYXAABTQCS-WPGBELRESA-N 420.534 4.713 0 40 HJAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1cccc2ccccc12 225739049 KWYBJQMPRZEZPU-UHFFFAOYSA-N 407.267 4.556 0 40 HJAB O=C(c1ccc(O)nc1)N1CCCC[C@H]1c1ccc(Cc2ccccc2Cl)nc1 257204849 AWNYCHISEXPTQQ-NRFANRHFSA-N 407.901 4.794 0 40 HJAB CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 260766124 JCASXQISTDQUOH-NPFVIJTESA-N 404.539 4.860 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)c1 408673736 UPEZTDOYBPIWHX-KNXBSLHKSA-N 416.521 4.765 0 40 HJAB Cc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 409380559 GZOBWSRQXRBBMK-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ncc(C2CCOCC2)s1 622642939 AQUOFJMRJNQYIZ-GFCCVEGCSA-N 414.449 4.753 0 40 HJAB CC(C)(C)c1cccc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)c1 1659421075 FRHUTTGOYPSYDI-QFIPXVFZSA-N 402.376 4.756 0 40 HJAB Cc1ccc(CNC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCC4)cc1 664059 IPSAMUCACSHLSH-UHFFFAOYSA-N 405.445 4.624 0 40 HJAB CC(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 796868 XOBHDZVHXZLMLT-QGZVFWFLSA-N 420.962 4.503 0 40 HJAB CCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3c(C)cccc23)c2ccccc12 1074491 SWHRJLGNNVGJTJ-UHFFFAOYSA-N 422.550 4.858 0 40 HJAB CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccco1 1223642 AGWFGPCZMMBBOZ-UHFFFAOYSA-N 400.456 4.643 0 40 HJAB O=C1c2ccccc2C(=O)N1CCCCSc1ncnc2sc3c(c12)CCCC3 2680324 MYSBITRPQRQDQI-UHFFFAOYSA-N 423.563 4.739 0 40 HJAB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1c(Cl)cccc1Cl 3241964 RLWLPOFJZPJLKL-UHFFFAOYSA-N 406.187 4.737 0 40 HJAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN(C)c1ccccc1 3320633 HNSRAPWCWLLJLT-UHFFFAOYSA-N 412.486 4.806 0 40 HJAB CCc1c(C)c2ccc(OCC(=O)c3ccc(Br)cc3)c(C)c2oc1=O 4043328 BCMKDIKKWXCAET-UHFFFAOYSA-N 415.283 4.996 0 40 HJAB biogenic COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccccc2C)cc1 4518187 LHFXDSOFDVIIKG-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB Cc1coc2cc3oc(=O)c(CCC(=O)NCCc4ccccc4F)c(C)c3cc12 4743730 JWYZCFSFRDMZFJ-UHFFFAOYSA-N 407.441 4.587 0 40 HJAB CCCCNC(=S)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 4867503 ZXYSLMXLJQJUNW-UHFFFAOYSA-N 411.980 4.536 0 40 HJAB COc1ccccc1C(=O)Nc1ccccc1-c1nnc2c3ccccc3c(C)nn12 5244173 NXDLWYPSLHPHLV-UHFFFAOYSA-N 409.449 4.514 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(I)cc1 8307434 UZOMVJWOCOXOJO-NSHDSACASA-N 414.674 4.692 0 40 HJAB Cc1ccc(CSc2nnc(NC(=O)c3ccc(Br)o3)s2)cc1 8822205 NMTQSBKIKVUSLJ-UHFFFAOYSA-N 410.318 4.747 0 40 HJAB Cc1ccc(C(C)C)c(OCc2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)c1 9192525 DDPWVUUDUVCTGF-UHFFFAOYSA-N 407.543 4.930 0 40 HJAB Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(O)c2)c1 9282767 CDICLPUGNUVSMH-FQEVSTJZSA-N 418.836 4.605 0 40 HJAB O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1cc2cc(Cl)ccc2o1 9306479 UZSITDPEKIBWSR-UHFFFAOYSA-N 402.237 4.762 0 40 HJAB Cc1ccc(-n2c(SCc3cc(-c4ccco4)on3)nnc2N2CCCC2)cc1 9944336 QBNKRDBHNLCVFK-UHFFFAOYSA-N 407.499 4.716 0 40 HJAB COc1cc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc(OC)c1OC 10004223 MPLMRXMHTHMVCF-UHFFFAOYSA-N 404.894 4.608 0 40 HJAB COc1ccc(CNC(=O)Cc2cnc(-c3c(Cl)cccc3Cl)s2)cc1 12391995 IFYHGSMHERHGEM-UHFFFAOYSA-N 407.322 4.984 0 40 HJAB COc1cccc(CNC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1 12796035 HZMVZNRMKZQXNA-UHFFFAOYSA-N 402.903 4.623 0 40 HJAB CCOc1ccc(N2C[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1 13036966 XPWHBUHKDCECFQ-CQSZACIVSA-N 417.387 4.675 0 40 HJAB Cc1cccc(NC(=O)[C@@H](Sc2ncnc3nc[nH]c23)c2ccccc2)c1Cl 13572951 QWEVGQDRKBYEAQ-KRWDZBQOSA-N 409.902 4.787 0 40 HJAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)c2ccc(F)cc2)n(C(C)C)c1C 13723085 BUMMNDFZQIATJV-UHFFFAOYSA-N 414.502 4.910 0 40 HJAB CCOc1ccc2nc(NC(=O)CCC(=O)O[C@@H]3CC[C@@H](C)[C@@H](C)C3)sc2c1 15318846 HPDUZEAHPLHGLC-IJEWVQPXSA-N 404.532 4.782 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-n1cccc1 15881934 JFBRSFFRRNGLKC-UHFFFAOYSA-N 423.929 4.751 0 40 HJAB COc1ccc(CNC(=O)c2nc(SCc3ccccc3C)ncc2Cl)cc1 16788570 WZQDJNOCKIQXNZ-UHFFFAOYSA-N 413.930 4.669 0 40 HJAB CSc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccccc4)o3)n2)cc1 16846997 MUDMWZZPNMPDPZ-UHFFFAOYSA-N 412.492 4.692 0 40 HJAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2Cl)CC1 17089729 OIJLFWWQAMKUFS-UHFFFAOYSA-N 413.949 4.658 0 40 HJAB Cn1c(C(F)(F)F)nc2cc(NC(=O)c3cc(-c4ccc(F)cc4)no3)ccc21 19659482 MQHBCPWJVUMNMU-UHFFFAOYSA-N 404.323 4.639 0 40 HJAB Cc1ccc(C)c(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1 19946814 GIRHOHXDNRAXCA-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB Cc1cc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)ccc1-c1ccc(CO)o1 20152757 RFMJWKYZIKULMD-UHFFFAOYSA-N 424.522 4.661 0 40 HJAB Cc1cccc(C(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Br)c1 28306201 QZUBTQRVOFYBTM-UHFFFAOYSA-N 404.695 4.908 0 40 HJAB O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2ccco2)C1 32475357 NBIYSJFNGSFRJN-UGKGYDQZSA-N 422.912 4.691 0 40 HJAB O=C(CCNC(=O)c1ccsc1)Nc1cc(-c2ccccc2)nc2ccccc12 32801914 FCUXNGDFGHQPTQ-UHFFFAOYSA-N 401.491 4.722 0 40 HJAB Cc1cccn2cc(-c3cccc(NC(=O)[C@H](c4ccc(F)cc4)N(C)C)c3)nc12 35316884 ZTLYWVLLGDWOIV-QFIPXVFZSA-N 402.473 4.690 0 40 HJAB CCc1nc2sc([C@@H](c3ccc(C(F)(F)F)cc3)N3CCC[C@H](C)C3)c(O)n2n1 36370433 FBNLDIQREBTOAP-BLLLJJGKSA-N 424.492 4.899 0 40 HJAB O=C(Nc1ccccc1I)c1ccc(CN2CCCCC2)cc1 36390985 WXANLDGQRXBJKZ-UHFFFAOYSA-N 420.294 4.529 0 40 HJAB O=C1C(O)=C(c2ccccc2)[C@@H](c2ccc(Br)cc2)N1Cc1cccnc1 40485878 QXGXDNWJDUOYJV-HXUWFJFHSA-N 421.294 4.897 0 40 HJAB CCOC(=O)Nc1cccc(C(=O)N(CCc2ccccc2)Cc2ccncc2)c1 58163076 KGAKRAOJIMXKLZ-UHFFFAOYSA-N 403.482 4.535 0 40 HJAB C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1nc(-c2ccccc2)c[nH]1 62580818 MYFUDKXDMVHXRO-CQSZACIVSA-N 422.435 4.820 0 40 HJAB Cc1cccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C(C)C)c(=O)c32)c1C 65113605 XGXBFBFPEDTTTP-UHFFFAOYSA-N 414.509 4.701 0 40 HJAB CCOc1cc(C(=O)OC)cc(NC(=S)Nc2cccc(F)c2C)c1OCC 71760534 ZMZQPFMBFCHHGZ-UHFFFAOYSA-N 406.479 4.527 0 40 HJAB Fc1ccc(OCCc2cc([C@@H]3CCN(Cc4ccnc5ccccc45)C3)n[nH]2)cc1 72371552 IOZBWZLCSISFHB-LJQANCHMSA-N 416.500 4.708 0 40 HJAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)Oc1ccc(Cl)cc1NC(C)=O 72414590 DRCNAMZEBJJALM-UHFFFAOYSA-N 411.907 4.507 0 40 HJAB COc1ccc(-c2cc(N3CCC[C@H](C(=O)Nc4ccccc4Cl)C3)ncn2)cc1 77191905 JTMWIFNVPXGGBI-KRWDZBQOSA-N 422.916 4.661 0 40 HJAB Cc1nc(CN(C)C(=O)c2ccccc2C(=O)c2cccs2)nc2ccccc12 84068112 OIWZDDPNXQRZFC-UHFFFAOYSA-N 401.491 4.503 0 40 HJAB O=c1[nH]c(-c2ccc(COCC(F)(F)F)cc2)nc2sc3c(c12)CCCCC3 84403262 FCEHUILHCYBBPH-UHFFFAOYSA-N 408.445 4.999 0 40 HJAB Cn1ccnc1SCC1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 90608185 NTLACPLXTOTPHK-UHFFFAOYSA-N 418.006 4.916 0 40 HJAB COc1ccc(OC)c(N/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)c1 101189158 RKDQLWZLTXISTQ-QNGOZBTKSA-N 414.461 4.652 0 40 HJAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N1[C@@H](C)CCC[C@@H]1C 102528151 IDPCCKQDLIQGNE-KKUMJFAQSA-N 402.539 4.689 0 40 HJAB CC(C)(C)c1ccccc1OCCNS(=O)(=O)Cc1ccc(Cl)cc1Cl 223701253 NOLBBDRKWGBJKW-UHFFFAOYSA-N 416.370 4.789 0 40 HJAB CCC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 224891963 CEOOWRAQZBNKBT-JOCHJYFZSA-N 412.961 4.749 0 40 HJAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc3ccccc3c2)cc1Cl 225066641 LOKDLTBRGKYUPT-UHFFFAOYSA-N 417.914 4.885 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 225155875 ICBWSKSLJNFXKX-HSZRJFAPSA-N 424.585 4.633 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 225170654 VXQRYAGLZGJQNF-ROUUACIJSA-N 400.950 4.523 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2Cl)cc1C 225201044 CFTYPGQLCUXOEF-OAHLLOKOSA-N 408.951 4.532 0 40 HJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccccc1 225424640 UVUHBNZNNSMUER-JOCHJYFZSA-N 412.599 4.545 0 40 HJAB CCOc1ccc(-c2noc(CN(C)C(=O)c3cc(C(C)C)c(OC)cc3C)n2)cc1 225670645 LEXUWYASRGRKTP-UHFFFAOYSA-N 423.513 4.848 0 40 HJAB CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C(=O)OCC 225831978 OGECNACAGFGAIG-GAJHUEQPSA-N 405.535 4.966 0 40 HJAB Cc1ccc([C@H](NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c2ccncc2)cc1C 248168560 UFITZIFOUWXNTQ-NRFCYAQMSA-N 404.554 4.625 0 40 HJAB CC(C)Oc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 408604658 HOOUEVVMVICENM-UHFFFAOYSA-N 410.495 4.527 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCCCC3)cc2)cc1 408626086 LPIIGKNWBIDJJB-UHFFFAOYSA-N 400.544 4.639 0 40 HJAB O=C(Nc1ccc(F)c(F)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 409265516 SYRQOXGSCMEXGT-HSZRJFAPSA-N 424.472 4.991 0 40 HJAB Cc1cc(NC(=O)[C@@](C)(O)CSc2cccc(F)c2)ccc1Oc1ccncc1 552543218 PVGJIQFDOSGRTL-QFIPXVFZSA-N 412.486 4.803 0 40 HJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Br)cc1C 1615545874 KSJROSRWSTTYDR-UHFFFAOYSA-N 404.713 4.610 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)C(F)(F)F)C1CCCCC1 800229 RWBMLNNCPZTERX-MRXNPFEDSA-N 402.482 4.572 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)/C(=C/c1cccs1)NC(=O)c1ccco1 1150490 LIVUSSDQYZTMTE-PTNGSMBKSA-N 406.385 4.770 0 40 HJAB CCOc1ccc2[nH]c(=O)c(-c3nc4cccc(C)n4c3NC3CCCC3)cc2c1 1330438 CGWSBYTWFBXOKK-UHFFFAOYSA-N 402.498 4.904 0 40 HJAB Cc1ccccc1C(=O)Nc1ccc2nc(C)n(Cc3ccc(Cl)cc3)c(=O)c2c1 1363141 AHZAGCYNUZFSRN-UHFFFAOYSA-N 417.896 4.967 0 40 HJAB CCCc1nc2ccc(NC(=O)c3ccco3)cc2c(=O)n1Cc1ccc(Cl)cc1 1363178 QZSYSMQCFOKPBL-UHFFFAOYSA-N 421.884 4.896 0 40 HJAB COc1cc([C@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1OC 2146003 BICFVLAOOAUYSK-ILBGXUMGSA-N 420.461 4.614 0 40 HJAB CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)cc1 2408256 ZFXUSQPJCSLOCK-FQEVSTJZSA-N 403.459 4.853 0 40 HJAB Cc1ccc(-n2ncc3c2ncn2c(-c4cc5ccccc5cc4O)nnc32)cc1C 2439597 DOXCXQZIMILJDS-UHFFFAOYSA-N 406.449 4.606 0 40 HJAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1ccccc1F 4033442 CHLJOSGKIMTQIJ-KRWDZBQOSA-N 403.432 4.883 0 40 HJAB COc1ccc(-c2nc(C)c(CCNC(=O)c3cccc(Cl)c3)s2)cc1OC 4392512 LXNMKIXZXDHYQE-UHFFFAOYSA-N 416.930 4.762 0 40 HJAB Cc1nc(SCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)[nH]c1CC(C)C 4625819 NJIHZVKFGYGBFC-UHFFFAOYSA-N 403.882 4.815 0 40 HJAB COc1cccc(NC(=O)[C@@H](Sc2nnc(-c3ccco3)o2)c2ccccc2)c1 4828216 DANFJHICZDSWJH-SFHVURJKSA-N 407.451 4.810 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2ccc(Cl)cc2)c1 5259077 MTAFWWKYMVWJGF-UHFFFAOYSA-N 407.832 4.739 0 40 HJAB CC(=O)Nc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 6262396 KCRBNBXSVZYWPF-CAOOACKPSA-N 404.850 4.674 0 40 HJAB O=c1c2c3c(sc2nc(S)n1-c1ccc(Cc2ccncc2)cc1)CCCCC3 6276568 LULFGDNGLMHXHC-UHFFFAOYSA-N 419.575 4.991 0 40 HJAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 6451399 RPNUAFKPEKBERZ-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB Cc1cc(C)c(-c2ccc(SCC(=O)Nc3ccc4c(c3)OCO4)nn2)cc1C 7596640 HLUCPMQQSRWETO-UHFFFAOYSA-N 407.495 4.528 0 40 HJAB CC(C)c1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c2ccccc2n1 7989334 WJXQKKUFMZSZTH-UHFFFAOYSA-N 402.903 4.667 0 40 HJAB C[C@H](NC(=O)c1csc(NC(=O)Nc2cccc(Cl)c2)n1)c1ccccc1 9319536 GKCYIYYAWNQPLI-LBPRGKRZSA-N 400.891 4.932 0 40 HJAB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccccc1Br 9663759 NUIQGHRPCJPFOF-UHFFFAOYSA-N 423.310 4.674 0 40 HJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)/C=C/c1ccc(Br)o1 12311490 FYOSXYPMNZEHJT-KAXSJONJSA-N 413.308 4.603 0 40 HJAB CCC(C)(C)[C@@H]1CCC(=O)[C@H]([C@@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)C1 12418583 XPCARUDWUHWMFW-KAWPREARSA-N 423.528 4.982 0 40 HJAB CCN(CC)c1c(S(=O)(=O)c2ccc(OC)cc2)cnc2ccc(Cl)cc12 12437965 HCRBDYHTFKCMIR-UHFFFAOYSA-N 404.919 4.576 0 40 HJAB C[C@@H]1CCc2c(sc3ncnc(SCCCn4c(=O)[nH]c5ccccc54)c23)C1 12589264 WIVZPOJPIQOUBY-CYBMUJFWSA-N 410.568 4.642 0 40 HJAB O=C(CCN1CCSC1=O)Nc1cc(C(F)(F)F)ccc1N1CCCCCC1 12639706 YHYUPGOCRKGHKU-UHFFFAOYSA-N 415.481 4.583 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cc(C)ccc2C)sc2c1CCCC2 13710640 KZOICQUNBYNYDR-HNNXBMFYSA-N 401.528 4.826 0 40 HJAB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 16026272 LIQSDGKSLXKKCW-UHFFFAOYSA-N 402.338 4.687 0 40 HJAB CC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)Cc2cccs2)c1 16091505 CVWKANMQTKRSSI-KRWDZBQOSA-N 413.564 4.773 0 40 HJAB O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(C[C@H]2CC=CCC2)C1 19370352 HVAAQCQXBXDJRA-FXSPECFOSA-N 403.570 4.550 0 40 HJAB Cc1nn(C(C)C)c(C)c1CN1CCO[C@@H](c2ccc(-c3ccccc3F)cn2)C1 19693596 KWDCRIYGINSNOY-XMMPIXPASA-N 408.521 4.855 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(F)cc4)c3C)on2)c1 19718172 WZIPKOHZRUQRCZ-UHFFFAOYSA-N 420.444 4.603 0 40 HJAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cn2c3c(cccc3c1=O)CCC2 22235496 MIXPUPWNPKIBKM-UHFFFAOYSA-N 406.791 4.872 0 40 HJAB Cc1nc(C(C)(C)C)nc2sc(C(=O)NCCn3c(C)nc4ccccc43)c(C)c12 22508026 VUGSELXFXMUTBY-UHFFFAOYSA-N 421.570 4.694 0 40 HJAB CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1ccsc1 23957504 PLEPAOMZAGDDKL-IBGZPJMESA-N 418.628 4.556 0 40 HJAB CCOc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)cc2)cc1 24842658 DLQFGKYQPFZWSJ-GOSISDBHSA-N 418.497 4.523 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)c3ccc(Br)cc3)cs2)cc1 27993584 YYWCONLQTRRSML-UHFFFAOYSA-N 417.328 4.554 0 40 HJAB O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccccc1Cn1cccn1 28794015 YQVKEYCBCSDFKN-UHFFFAOYSA-N 403.457 4.580 0 40 HJAB Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(C)c1 32787833 FMJDGDULLUHJDJ-CPNJWEJPSA-N 404.470 4.748 0 40 HJAB C=Cc1ccc(CSc2nc(O)c3c(n2)CCN(Cc2ccc(OC)cc2)C3)cc1 33287258 QMFVDYXWQVXBRX-UHFFFAOYSA-N 419.550 4.684 0 40 HJAB CCc1cc(C)cc(OCCOc2ccc(Cl)cc2/C=C2/SC(=N)NC2=O)c1 33419694 HOGAXDSTILIHIS-XDHOZWIPSA-N 416.930 4.807 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](NCCc1c[nH]c2ccccc12)c1ccccc1 34856355 FBENWMWFOXLJDY-RUZDIDTESA-N 413.521 4.997 0 40 HJAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(CN2CCCC2=O)c1 40093985 FBLAGBBBSLYSPX-ZDUSSCGKSA-N 407.297 4.522 0 40 HJAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc2oc(=O)ccc2c1 65474418 PBSZFORQKPDIKF-UHFFFAOYSA-N 406.463 4.942 0 40 HJAB Cn1cc(CN2CCC[C@@H](c3ccc(Nc4ncccn4)cn3)C2)c2cc(F)ccc21 72353453 VNVVSRIRXYWMSG-QGZVFWFLSA-N 416.504 4.626 0 40 HJAB O=S(=O)(c1cccc2ccccc12)N(CCc1cccs1)Cc1cccnc1 77183876 KKFYNVKQUWTMLM-UHFFFAOYSA-N 408.548 4.730 0 40 HJAB COCc1cc(C)nc2sc3c(=O)[nH]c(-c4ccc(Cl)c(Cl)c4)nc3c12 78549432 IDEHSLKNARKRJL-UHFFFAOYSA-N 406.294 4.961 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 85945230 NCMXLZBQFZUUHH-FKBYEOEOSA-N 418.880 4.700 0 40 HJAB CC(C)n1cnc2c(-c3cccnc3)nc(C3CCN(Cc4ccccn4)CC3)cc21 96100014 ITLINUUWERSAFM-UHFFFAOYSA-N 412.541 4.849 0 40 HJAB C[C@@H](NC(=O)c1cc2occc2n1Cc1ccccc1F)c1nc2ccccc2n1C 96193731 MMNGOFJKRYVTHQ-OAHLLOKOSA-N 416.456 4.799 0 40 HJAB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@H]([C@@H]2CC=CCC2)n2c1nc1ccccc12 216107255 PNIHONYEGOFQST-UIFIKXQLSA-N 409.530 4.650 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1Cc1cccnc1 223479188 IAOUANPFGWBBIE-YADHBBJMSA-N 403.555 4.566 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(CC)cc1 223690851 QLWABWTWXZYCDA-DEOSSOPVSA-N 424.585 4.660 0 40 HJAB COc1cc(C)c(S(=O)(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)c(C)c1 224098581 DTQCLHBNYYJCBA-HXUWFJFHSA-N 415.555 4.817 0 40 HJAB O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)Nc1ccc2ccccc2c1 224268571 RPNVNTJNEXDWMV-UHFFFAOYSA-N 424.508 4.600 0 40 HJAB O=C(O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 225528478 FBQIEVDMDGBLEL-UHFFFAOYSA-N 408.281 4.907 0 40 HJAB COc1cc(C)c(S(=O)(=O)NCCSCc2cccc(C)c2)cc1C(C)C 225562765 CYBHSNGKHGTBDB-UHFFFAOYSA-N 407.601 4.647 0 40 HJAB CCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCC[C@H](C)C1 225715979 ICUBCHOLMGFYGK-RDPSFJRHSA-N 402.579 4.865 0 40 HJAB CC[C@@H]1c2cc(OC)c(OC(C)=O)cc2[C@H](c2ccc(OC(C)=O)c(OC)c2)[C@H]1C 238808728 BRYNFIBJEKWEEG-GQTFGIAHSA-N 412.482 4.830 0 40 HJAB CN(C)c1cc([C@H]2CCCN(Cc3ccccc3OCc3ccccn3)C2)ccn1 257233003 GNIFMUBSJALMLF-NRFANRHFSA-N 402.542 4.501 0 40 HJAB Cc1cccc(N2C[C@@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)c1 408638133 BJICJKPFIZUFPY-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c(C)c1 408661752 HMLMAGIIPFKNLC-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB COc1ccc(OC)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)cc3)n2)c1 408697674 KWSIZTYNNYUNEB-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21)c1ccccc1 409368128 SEURBNLSNQWMOS-VURPSTOHSA-N 420.306 4.844 0 40 HJAB C[C@H](Cn1ccnc1)NC(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 510286285 DDTFOUCRHBWLHT-OAHLLOKOSA-N 418.419 4.582 0 40 HJAB COC1CCC(Cc2cccc(-c3ccccc3)c2)(C(=O)NC2CCN(C)CC2)CC1 585263129 NSCDLYUBQFNLDP-UHFFFAOYSA-N 420.597 4.682 0 40 HJAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)n2)n1 585292503 NRGDFQLSMXMZQN-QZMUEMGWSA-N 413.525 4.651 0 40 HJAB CC1(C)C[C@]2(CCCN2C(=O)c2cccnc2C(F)(F)F)CN1c1cccc(F)c1 2037988445 JEBNOIHRHWCNID-OAQYLSRUSA-N 421.438 4.903 0 40 HJAB CN(Cc1ccccc1)C(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 709166 SSCYQUITHMYSFI-NVXWUHKLSA-N 420.460 4.877 0 40 HJAB C[C@@H]1Cc2cc(-c3csc(NC(=O)Cc4cccs4)n3)ccc2N1C(=O)C1CC1 1366383 CIZBZKPUIUBCBA-CYBMUJFWSA-N 423.563 4.740 0 40 HJAB Cc1cc(C)c(NC(=O)[C@]2(N3CCC3=O)CC[C@H]3Cc4ccccc4C[C@@H]3C2)c(C)c1 1410592 ZTLLWPGTVMCZDW-OBTVHEKISA-N 416.565 4.737 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)c1 2202142 PFPPUTHDGHAXLH-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB COc1ccc(OCc2cc(C(=O)OCC(=O)Nc3ccc(C)cc3C)c(C)o2)cc1 2644277 JUQOKKYHMFHHLZ-UHFFFAOYSA-N 423.465 4.588 0 40 HJAB CCOC(=O)C1=C2Sc3ccccc3N2C(=O)N[C@]1(c1ccccc1)C(F)(F)F 3261822 HJOKJIRVBPQXOP-IBGZPJMESA-N 420.412 4.554 0 40 HJAB CCOc1cc(/C=C/C(=O)OCC(=O)c2c[nH]c3ccccc23)cc(Cl)c1OC 3417414 XMIOHYIOGHAUAZ-CMDGGOBGSA-N 413.857 4.668 0 40 HJAB CCCN(CCC)[C@@H]1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1 3824084 HUXFXXWYIRBVJR-JOCHJYFZSA-N 415.599 4.648 0 40 HJAB in-vivo CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 4176560 UCCKEXFSEVWSDE-LJQANCHMSA-N 407.857 4.623 0 40 HJAB CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccccc2Sc2ccccc2)C1=O 4658904 KFZUGIMQWNOJOW-PDGQHHTCSA-N 413.520 4.826 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2Cl)n1CC(C)C 4860651 JBJHXYZZYAWGQN-UHFFFAOYSA-N 404.923 4.887 0 40 HJAB Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C1=O 5093329 TXMYRMUHOJDGJQ-VSKRKVRLSA-N 418.880 4.700 0 40 HJAB COc1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)c(OC)c1 5274739 WWHQWGJOOZBLBF-HXPMCKFVSA-N 400.544 4.770 0 40 HJAB CCOP(=O)(OCC)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F 5334464 DKSQREWZBVVRBW-LBPRGKRZSA-N 408.140 4.878 0 40 HJAB Cc1cccc(-c2noc(CN(C(=O)COc3ccccc3)C3CCCCC3)n2)c1 5452084 XJQFLHODSADNDC-UHFFFAOYSA-N 405.498 4.785 0 40 HJAB Cc1ccc(OCc2nc3ccccc3n2C[C@H](O)COc2ccc(C)cc2)cc1 5588883 HAHWHNKTXTUHMM-FQEVSTJZSA-N 402.494 4.672 0 40 HJAB COC(=O)c1ccc(COC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 5859823 XOJAUXGZGVDPNE-UHFFFAOYSA-N 406.463 4.539 0 40 HJAB CSCC[C@@H](NC(=O)COc1ccc(Cl)c(C)c1)c1nc2ccccc2[nH]1 6506533 VQJPLKVGDKVWEW-GOSISDBHSA-N 403.935 4.514 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccc2C)c1 6553311 KEGCNHUXLHTPPZ-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB COc1ccccc1NC(=O)C(=Cc1ccccc1C)C(=O)Nc1ccccc1OC 6790564 YTNSNQWJIWMIGW-UHFFFAOYSA-N 416.477 4.673 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cccnc1Cl)c1ccccc1 6929483 NBIRRGHTJKUEOV-LJQANCHMSA-N 410.857 4.589 0 40 HJAB COc1ccc([C@H]2CCCN2Cn2nc(C)n(-c3ccccc3)c2=S)c(OC)c1 7316737 IYEQNVYCKHKVHP-HXUWFJFHSA-N 410.543 4.524 0 40 HJAB Cc1ccccc1N1C(=O)N(Cc2cccc(Cl)c2)c2ccccc2S1(=O)=O 7615867 LGWOYPJIORJWRX-UHFFFAOYSA-N 412.898 4.984 0 40 HJAB Cc1nc(SCC(=O)N[C@H](C)c2ccc(Br)cc2)n(CC(C)C)c1C 8131074 QOOFJZLVDFPJFF-CQSZACIVSA-N 424.408 4.888 0 40 HJAB Cc1ccc(CNC(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)cc1 8174461 WYXPIHXVBOEBDR-CYBMUJFWSA-N 405.445 4.754 0 40 HJAB CCOc1ccc(-c2nc(NC(=O)[C@H](C)NC(=O)c3cccc(C)c3)sc2C)cc1 8230054 FTCJXQIZCFYTMA-HNNXBMFYSA-N 423.538 4.583 0 40 HJAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(COc2ccccc2)cc1 8285304 LSVYJVGDVKSGRF-UHFFFAOYSA-N 408.885 4.630 0 40 HJAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1-c1nc2ccccc2s1 8830504 ZCKQRYCCDCUPFX-UHFFFAOYSA-N 422.531 4.766 0 40 HJAB Cc1sc2nc([C@H](C)Sc3nnc(C4CC4)n3-c3ccccc3)[nH]c(=O)c2c1C 9468920 FCDVZOGZQWUOHZ-ZDUSSCGKSA-N 423.567 4.913 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(Br)s1 9639968 JNRXBBNRYUOLJY-UHFFFAOYSA-N 423.313 4.658 0 40 HJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 9665775 BSAYYDVBACGFMA-UHFFFAOYSA-N 400.935 4.663 0 40 HJAB CCCOc1cc(Nc2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)nc(C)n1 12225564 HDONXIXXCYSMEU-UHFFFAOYSA-N 422.485 4.587 0 40 HJAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)Cc3ccc(F)cc3)n2)cc1 12441915 GJDMCUQNKXWUCK-UHFFFAOYSA-N 406.486 4.933 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 12594215 QYUWIRLUUXAHPA-RTWAWAEBSA-N 417.534 4.924 0 40 HJAB c1ccc(-c2cc3c(NCc4nnc5n4-c4ccccc4CC5)ncnc3s2)cc1 12736770 WEPWABIOASLVNW-UHFFFAOYSA-N 410.506 4.650 0 40 HJAB Cc1nn(CC(=O)Nc2ccccc2SCc2ccsc2)c(=O)c2ccccc12 12769958 NEWDTMWSJFEKFM-UHFFFAOYSA-N 421.547 4.697 0 40 HJAB O=C(CN1CC=C(c2ccc(O)cc2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 12819034 NBUREFPZLDWVBN-UHFFFAOYSA-N 420.509 4.552 0 40 HJAB CC(C)c1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C(C)C)cc1 12848961 IIOKSISZLOKWHJ-LJQANCHMSA-N 409.498 4.933 0 40 HJAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 12905219 XHRJUDNWRDHXNA-VWLOTQADSA-N 416.521 4.588 0 40 HJAB CN(C(=O)c1ccccc1C(=O)OCCOc1cccc(Cl)c1)c1ccccc1 12920350 JFNTZAGUSMQWLA-UHFFFAOYSA-N 409.869 4.852 0 40 HJAB CCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)n1 13011310 VXQLJOIGJNNWRJ-INIZCTEOSA-N 420.538 4.942 0 40 HJAB CCOc1cc(NC(=S)NCC(C)C)c(OCC)cc1NC(=O)c1cccs1 13478382 LACUECCYMJPJCM-UHFFFAOYSA-N 421.588 4.740 0 40 HJAB Cc1ccc(CNC(=O)/C(=C/c2c[nH]c3ccccc23)NC(=O)c2ccccc2)cc1 13579502 RJIWHFYPFNFUNB-IWIPYMOSSA-N 409.489 4.564 0 40 HJAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 14911933 CQYXQZJVVIXPSW-NTCAYCPXSA-N 418.581 4.895 0 40 HJAB CCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc3c(Cl)cccc23)CC1 17092846 SDBINGDSMHSGRH-UHFFFAOYSA-N 421.928 4.804 0 40 HJAB Fc1ccc(-c2nc3sccn3c2CN(Cc2ccccn2)C[C@H]2CCCO2)cc1 19663013 CRUNDFRCVZJROY-HXUWFJFHSA-N 422.529 4.778 0 40 HJAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)c2ccccc2)n1 19694428 AOARRQQVESKRHT-OAQYLSRUSA-N 404.489 4.716 0 40 HJAB COc1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19907610 OXJSFQMQTLUGIC-UHFFFAOYSA-N 417.578 4.799 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 20610909 TWEXUUVXMXFBPO-FMIVXFBMSA-N 404.857 4.734 0 40 HJAB COc1ccc(-c2nc(COc3ccc(I)cc3)co2)cc1 22842022 HMWKOVALKKVDAE-UHFFFAOYSA-N 407.207 4.534 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2cc3c(F)cccc3s2)c1 24018616 KPWYFXYKVFGRNP-UHFFFAOYSA-N 420.531 4.632 0 40 HJAB CCOc1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCCCO4)cs2)cc1 30855149 MQHHGFLNTAMDBG-UHFFFAOYSA-N 410.495 4.551 0 40 HJAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 31186415 UGKHEHMHZMIOSB-UHFFFAOYSA-N 424.544 4.791 0 40 HJAB Cc1cc2nc(C)c(CCC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c(C)n2n1 31390758 IWGYQCVNQLJSRG-LJQANCHMSA-N 419.554 4.561 0 40 HJAB C[C@H]1C[C@@H](C)CN([C@@H](C(=O)O)c2c[nH]c3ccc(NC(=O)c4ccccc4)cc23)C1 32093106 XWHQZHIOTWEOGY-ZMPRRUGASA-N 405.498 4.524 0 40 HJAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2ccccc2F)s1 32816589 AKJMWEUQSOBWCY-AWEZNQCLSA-N 417.527 4.791 0 40 HJAB CC(C)Cn1c(=O)c2sccc2n2c(SCc3c(F)cccc3Cl)nnc12 35529122 GVPWVTRUJZGLGL-UHFFFAOYSA-N 422.938 4.847 0 40 HJAB COc1ccc2c(c1)c(C(=O)N1CCc3[nH]c4ccc(Cl)cc4c3C1)c(C)n2C 36369907 VXICLTWBQPGFJL-UHFFFAOYSA-N 407.901 4.829 0 40 HJAB biogenic CC[C@H](NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(C)cc1 36420012 MMLOCJHQBNKCNH-VXKWHMMOSA-N 408.542 4.561 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3cccc(C)c3)CC1)CC(C)(C)O2 44855519 FAQZFZKJNWJWDB-HSZRJFAPSA-N 422.569 4.634 0 40 HJAB CC(C)[C@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1cccs1 48374875 RLBAVHGUKAMOHC-NRFANRHFSA-N 413.564 4.849 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(Cl)c3)oc12 67293556 SCDKYGCEBJITDS-LVWGJNHUSA-N 405.841 4.975 0 40 HJAB CC(C)Cc1noc(CN2CCC([C@H]3CCCCCN3C(=O)c3ccccc3)CC2)n1 71889327 MZNAVHJIRHPQNZ-JOCHJYFZSA-N 424.589 4.565 0 40 HJAB O=C(c1sc2ccccc2c1[C@H]1CCN(Cc2ccc(F)cc2)C1)N1CCOCC1 72352385 RCGMDKHCHDQAQM-SFHVURJKSA-N 424.541 4.502 0 40 HJAB CC[C@H](Cc1ccccc1)N(C)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 78877307 OYUMSMQYBNMGOD-OAHLLOKOSA-N 400.828 4.769 0 40 HJAB O=C(NCc1ccccc1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96147715 JMHRNAWVQVCLDY-UHFFFAOYSA-N 408.505 4.952 0 40 HJAB O=C(Nc1cccc(O)c1)c1ccnn1-c1ccc2ccc(-c3ccc(F)cc3)cn12 96155285 UQPXWQQKFXPSNI-UHFFFAOYSA-N 412.424 4.889 0 40 HJAB Cn1cnc2c(-c3ccccc3)nc(C3CCN(C(=O)c4cccs4)CC3)cc21 96155584 YHWCZOAKMOGGHC-UHFFFAOYSA-N 402.523 4.717 0 40 HJAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(Cl)cn3)c3ccccc3C2=O)cc1C 102323294 QFNDFTAKFXSTMX-MOSHPQCFSA-N 403.869 4.992 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718470 GERQDOCTAKDAMC-VIFPVBQESA-N 401.652 4.778 0 40 HJAB NCC[Sn](c1ccccc1)(C1CCCCC1)C1CCCCC1 195758819 ZPVCBZAHALBQSN-UHFFFAOYSA-N 406.202 4.970 0 40 HJAB COc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1Br 211505590 YESBDFSPDIODGZ-DHDCSXOGSA-N 406.257 4.817 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 222440444 DFHPMZUJZCKVKO-NRFANRHFSA-N 400.950 4.523 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1NC(=O)C(C)C 222705295 VYZCTCWQWVJVQQ-UHFFFAOYSA-N 412.964 4.766 0 40 HJAB Cc1cc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)ccc1Cl 222858404 YWSQZEKZPMSLBO-CYBMUJFWSA-N 420.296 4.778 0 40 HJAB COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1 222931891 JAIOHSZMQLDWAP-FGZHOGPDSA-N 406.555 4.509 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 222945067 SJXUBMSOCHWDKI-HNNXBMFYSA-N 421.368 4.868 0 40 HJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 222954963 YFIIRBFLADVLQT-NRFANRHFSA-N 406.482 4.623 0 40 HJAB CCCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 223421036 PTIPOHRSLOFTLL-UHFFFAOYSA-N 404.532 4.573 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)c1 223784564 QSBCZKCOBMCZHD-OAQYLSRUSA-N 406.570 4.630 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 223912728 HVVGVQNDAVOCIS-INIZCTEOSA-N 421.368 4.706 0 40 HJAB CC[C@@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)N(c1ccccc1)S(C)(=O)=O 224298332 LRJZQTYFVHGLLS-FQEVSTJZSA-N 422.506 4.769 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 225186484 CTFIRYMWNFRKJD-QHCPKHFHSA-N 424.585 4.633 0 40 HJAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)ccc21 225722600 WRKPOQJYGCZJOX-UHFFFAOYSA-N 417.339 4.581 0 40 HJAB CCOC(=O)c1cc(NC(=O)C2(OCC)CCCCCC2)ccc1OCC(C)C 225830647 GXNHPAIXADPFBH-UHFFFAOYSA-N 405.535 4.966 0 40 HJAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(F)ccc2F)C1 257246362 ITTYLJFYHQXVLP-VWPQPMDRSA-N 407.432 4.608 0 40 HJAB Cc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 408548121 PMQKECBLQCQIQM-UHFFFAOYSA-N 422.550 4.651 0 40 HJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCc1c(F)cccc1Cl 408564641 ZFEHYPIJIVSCMV-UHFFFAOYSA-N 408.926 4.879 0 40 HJAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C 409170104 SXHDKGQQPJYXDZ-XHDPSFHLSA-N 413.374 4.576 0 40 HJAB CC(C)(C)OC(=O)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)nn34)n2)C1 2037843577 FNZMOFONYXGAOS-AWEZNQCLSA-N 413.909 4.559 0 40 HJAB COc1cccc(C(=O)c2sc3nc4c(c(-c5cccnc5)c3c2N)CCC4)c1 663541 HFQMABXYMRJUJR-UHFFFAOYSA-N 401.491 4.669 0 40 HJAB O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)C(F)(F)F)C1CCCCC1 800228 RWBMLNNCPZTERX-INIZCTEOSA-N 402.482 4.572 0 40 HJAB O[C@H]1CCCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Cl)cc4)nn23)C1 1341283 MXEBWZZBQJHMMR-IBGZPJMESA-N 404.901 4.678 0 40 HJAB Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)cc1F 1379946 ADEOFQDTXNPPDB-QFIPXVFZSA-N 421.472 4.569 0 40 HJAB O=C(NCc1ccco1)Nc1cccc2c(NC(=O)NCc3ccco3)cccc12 1590367 FDOZRGLEGSLNPF-UHFFFAOYSA-N 404.426 4.669 0 40 HJAB Cc1ccc2c(c1)C1=C([C@@H](c3cccs3)O2)[C@H](c2ccc(F)cc2)N2NC=NC2=N1 2707232 LMVQSYZTBOVYKZ-FCHUYYIVSA-N 416.481 5.000 0 40 HJAB COc1ccccc1-n1c(SCc2ccc(Cl)cc2)nc2c(c1=O)SCC2 2719849 BNBFSCPPBXOCQD-UHFFFAOYSA-N 416.955 4.835 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(CNc3ccccc3Br)C2=O)cc1 3101231 NEYWRZONYSXWTP-MHWRWJLKSA-N 419.300 4.564 0 40 HJAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc(Cl)cc1C(F)(F)F 3224818 QWDYBBHPEQEKBM-UHFFFAOYSA-N 419.808 4.565 0 40 HJAB CC(=O)c1ccc(N2CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)cc1 3284888 BUNXKIHJDGQXFA-UHFFFAOYSA-N 400.478 4.644 0 40 HJAB COc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1NC(=O)CC(C)(C)C 3349489 XDKUZTMXCMQIBL-UHFFFAOYSA-N 410.923 4.524 0 40 HJAB Cc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1NC(=O)c1ccco1 3375505 BHSBGJDZVNCNSP-UHFFFAOYSA-N 418.478 4.535 0 40 HJAB CSc1nc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)cc2s1 3435222 CIBJDUSDCQTAJQ-CQSZACIVSA-N 411.552 4.627 0 40 HJAB Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2nnc(-c3ccccc3)o2)c1 3545860 YUPMCGWOEDIRMS-UHFFFAOYSA-N 413.433 4.654 0 40 HJAB O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)N1CCN(c2ccc(F)cc2)CC1 4787963 DOQZAMLRXPEGDD-UHFFFAOYSA-N 420.271 4.750 0 40 HJAB CCOc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1OCC 4836766 OANKACNEENYVET-YBEGLDIGSA-N 416.271 4.591 0 40 HJAB O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1ccccc1F 4903378 HFDHWXGBOQJZPO-GOSISDBHSA-N 415.468 4.775 0 40 HJAB C[C@H]1CCc2c(sc(NC(=O)CCSc3ccc(Cl)cc3)c2C(N)=O)C1 5191839 GNJMZEWQPVLNAT-NSHDSACASA-N 408.976 4.746 0 40 HJAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)cc2)cc1OC 5256262 HSKOBKUKFOKHRM-OAQYLSRUSA-N 411.889 4.796 0 40 HJAB Cc1cccc(NC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)c1C 5305496 SGWSMTMHFHNNMI-UHFFFAOYSA-N 417.896 4.967 0 40 HJAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)no1 5307971 GKCUGTHQFVJXSH-OAQYLSRUSA-N 400.434 4.963 0 40 HJAB CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1 5861888 IBBPIZRQBOUQFE-UHFFFAOYSA-N 413.543 4.587 0 40 HJAB CCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 6046317 QMILGEHVIFZWGN-GOSISDBHSA-N 403.404 4.534 0 40 HJAB Cc1ccc(-n2cnnc2SCC(=O)N[C@@H]2CCCc3ccccc32)cc1Cl 6103580 YEARYVAEUSEFPC-LJQANCHMSA-N 412.946 4.515 0 40 HJAB COc1ccc(Cl)cc1CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6664288 FUSKHXGEAILTOV-NRFANRHFSA-N 419.912 4.868 0 40 HJAB C[C@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 6983103 MZOBNCSEHVOXIE-ZDUSSCGKSA-N 421.526 4.559 0 40 HJAB C=CCOc1ccccc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)[nH]1)C(=O)O 7603265 JMIKRMKYEKXSQA-ATVHPVEESA-N 413.886 4.908 0 40 HJAB Cc1cc2occ(CC(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)c2cc1C 7813757 JFOHKKLTAYUMCD-UHFFFAOYSA-N 414.387 4.830 0 40 HJAB O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCc2sccc2[C@H]1c1cccs1 7947712 DHAVPLCZYFJISL-LHXJMTLCSA-N 409.532 4.768 0 40 HJAB CCN(CC(=O)NCc1cccs1)c1ncnc2sc(-c3ccccc3)cc12 7984722 SRDPVQWUZIWQIY-UHFFFAOYSA-N 408.552 4.563 0 40 HJAB COc1ccc(CC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1 8959238 BCUMYRMPJZZSJE-UHFFFAOYSA-N 424.541 4.674 0 40 HJAB CC(C)[C@H](C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1)c1ccc(Cl)cc1 8965949 MZLYSQZWTOADPJ-KRWDZBQOSA-N 422.959 4.732 0 40 HJAB COc1ccc(-c2nc(C)c(C(=O)NCCc3c[nH]c4ccccc34)s2)cc1OC 9302600 HMVFIDSBLHMNKN-UHFFFAOYSA-N 421.522 4.590 0 40 HJAB Clc1ccccc1Cn1ncc2c(N3CCC(Cc4ccccc4)CC3)ncnc21 9764258 FUFIXEJINJSNNH-UHFFFAOYSA-N 417.944 4.987 0 40 HJAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccccn2)cc1 10215696 DWDXWLLKTYUBGC-XUZZJYLKSA-N 401.466 4.731 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1 10220420 CTJPGSMFSHOORI-UHFFFAOYSA-N 419.872 4.593 0 40 HJAB CCc1ccc(NC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)cc1 10324634 LGCZFWNSCPHZSL-UHFFFAOYSA-N 422.550 4.776 0 40 HJAB CCCCCOc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C(C)C 11565915 QGDWOSSBZJYGGI-UHFFFAOYSA-N 424.651 4.967 0 40 HJAB O=C(CS[C@H]1CCc2ccccc2N=C1O)Nc1cccc(OC(F)(F)F)c1 11865851 GHWSKBDJWQEOLG-INIZCTEOSA-N 410.417 4.860 0 40 HJAB CCOc1ccccc1C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1Cl 12441268 PCBYUMNSAXMGKQ-UHFFFAOYSA-N 422.872 4.709 0 40 HJAB O=C(Cn1c(-c2cscn2)nc2ccccc21)NCc1ccc(Cl)cc1Cl 12628335 JEJQILDWUIFEKG-UHFFFAOYSA-N 417.321 4.783 0 40 HJAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)Cc1ccc(-c2ccccc2)cc1 12760846 BVKMWAHMXCUDDA-UHFFFAOYSA-N 401.466 4.978 0 40 HJAB Cc1ccc(CN2CCCN(c3nc(-c4cccnc4)nc4ccccc34)CC2)cc1 12774722 BCGXIASUEPABLM-UHFFFAOYSA-N 409.537 4.713 0 40 HJAB Cc1cc(C)c(NC(=O)c2cc(Br)c(Br)n2C)c(C)c1 12817449 ARMHFWBKAYONPI-UHFFFAOYSA-N 400.114 4.728 0 40 HJAB O=C(NCCc1c[nH]c2ccccc12)c1cccc(-c2cc3ccccc3oc2=O)c1 12898623 HDGXCONNPMDIGG-UHFFFAOYSA-N 408.457 4.914 0 40 HJAB biogenic COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(OC)c1 20139211 HYHGJAXEVOFJSG-UHFFFAOYSA-N 403.434 4.862 0 40 HJAB CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(Cl)cc1)C3 20671354 LVQDWMZMAMXJMI-CQSZACIVSA-N 400.935 4.829 0 40 HJAB O=C(Nc1nccs1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20722939 KFTDDMIUNOEZNX-FQEVSTJZSA-N 417.534 4.834 0 40 HJAB CN(Cc1ccco1)C(=O)COC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1 21241434 BTBHEWKKNOEQTR-KGENOOAVSA-N 409.869 4.675 0 40 HJAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(C)c(O)c(C)c2)c(OC)c1 24080153 AWKFTNRCPHMZTO-HSZRJFAPSA-N 404.466 4.797 0 40 HJAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Oc2ccccc2)cc1 24943293 LRBZJBRXLMLFAR-UHFFFAOYSA-N 413.477 4.766 0 40 HJAB Cc1nc(C2CC2)nc2sc(C(=O)Nc3cccc(CN4CCCC4=O)c3)c(C)c12 30127225 VPQXJDRJXKISFD-UHFFFAOYSA-N 420.538 4.560 0 40 HJAB O=c1ccn(-c2ccc(Cl)cc2)nc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 33300478 PYGBHMGRPZVKPL-UHFFFAOYSA-N 418.762 4.622 0 40 HJAB Cc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccccc2F)n1 33325017 IOERANUYMVSQRP-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB CC(=O)Nc1cccc(NC(=O)CSc2nc(C(C)(C)C)nc3ccccc23)c1 35312723 NLLHRTVISAWCSM-UHFFFAOYSA-N 408.527 4.617 0 40 HJAB COc1cccc([C@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1 36613901 XGFDUPJKYWMPED-ZDUSSCGKSA-N 405.429 4.837 0 40 HJAB COc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1Cl 39756170 KYZQRLCTXVKWRS-UHFFFAOYSA-N 411.304 4.992 0 40 HJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1c(Cl)nc2ccccn12 40114916 ZLBYLIVIIGQFGB-UHFFFAOYSA-N 403.294 4.941 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 44911798 UMVDBACGEVAGNW-LJQANCHMSA-N 414.933 4.676 0 40 HJAB Cc1cc(CN2CCSCC2)ccc1NC(=O)c1csc(-c2ccccc2)n1 58158248 VZVXAIIGWWFTFL-UHFFFAOYSA-N 409.580 4.920 0 40 HJAB Cc1c(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)oc2c1C(=O)CC(C)(C)C2 58417908 NMZCNNAITKDDLG-LJQANCHMSA-N 421.497 4.920 0 40 HJAB CCCCc1ccc(NC(=O)Cn2nc(-c3ccc(SC)cc3)ccc2=O)cc1 61719765 ICUDUBXMZHYXHV-UHFFFAOYSA-N 407.539 4.614 0 40 HJAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 71926832 PYMDKULRPFMJET-CYBMUJFWSA-N 408.479 4.786 0 40 HJAB C[C@H]1CCc2onc(C(=O)N[C@@H]3CCCc4c3cnn4Cc3ccc(Cl)cc3)c2C1 72396984 JJRHFXFKYMQIRY-IFXJQAMLSA-N 424.932 4.505 0 40 HJAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ncoc2-c2cccs2)C1 78658469 QHVNPHFQAMSWHO-GASCZTMLSA-N 409.511 4.774 0 40 HJAB CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3csc(C)n3)CC2)c2ccccc21 96053042 HBOKSSHEAXMWJC-IBGZPJMESA-N 411.615 4.731 0 40 HJAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cc(-c2ccco2)on1 96358086 NXAXZHGJAYZRCA-UHFFFAOYSA-N 418.434 4.889 0 40 HJAB CNC(=O)c1cc([C@H]2CC[C@H](CNC(=O)CC3CCCC3)CC2)nc2ccccc12 100658053 KCHPJPDHXUGUKN-KDURUIRLSA-N 407.558 4.565 0 40 HJAB O=c1oc2ccccc2c(NC2CCCC2)c1NS(=O)(=O)c1ccc(Cl)cc1 101095947 VECGPWQLQOPKBD-UHFFFAOYSA-N 418.902 4.602 0 40 HJAB CCc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)s1 101454300 YKAPHVWMCHNPHO-UHFFFAOYSA-N 402.556 4.543 0 40 HJAB O=C1[C@H](c2cc(Cl)ccc2Cl)C(=S)N2Cc3[nH]c4ccccc4c3C[C@@H]12 101646687 QUVBREBSNOMYTL-ROUUACIJSA-N 401.318 4.895 0 40 HJAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C 118925695 FFNJULBVNGBVGK-ILLWLIECSA-N 418.574 4.565 0 40 HJAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223355064 BILNOUHWHLJLEN-AREMUKBSSA-N 414.549 4.916 0 40 HJAB COc1ccc(Br)cc1S(=O)(=O)N[C@@H](CC(C)C)c1ccccc1 224031493 QMJDOIXPZVGQME-INIZCTEOSA-N 412.349 4.523 0 40 HJAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224320762 ZIEKYUYRTAEJHS-NRFANRHFSA-N 414.977 4.995 0 40 HJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(CN2CCCCC2)c1 224676669 MOGXMSQAPDTVBJ-HXUWFJFHSA-N 402.538 4.909 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 224705402 PSEPOXQRYOLWSK-KRWDZBQOSA-N 418.990 4.684 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 225005923 UAQHTXHLEVHHQE-MSOLQXFVSA-N 400.950 4.605 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(COc2ccc(F)cc2)C1 225560871 RKULYWYCFNOMEK-UHFFFAOYSA-N 400.837 4.594 0 40 HJAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)c1C 225791023 LMNMAAGIXTWOEN-MRXNPFEDSA-N 400.544 4.542 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)c1 257322403 WFVIPKLVTDASJC-IBGZPJMESA-N 424.928 4.876 0 40 HJAB COc1cccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)O)c1 408634139 RLBOKZCDTSFRKY-SXGWCWSVSA-N 418.858 4.625 0 40 HJAB CN(C)[C@@H](CNC(=O)c1ccccc1Br)c1csc2ccccc12 1889070492 IEAJEDKLSFNUJB-KRWDZBQOSA-N 403.345 4.697 0 40 HJAB COc1ccccc1NC(=O)CSc1nnc2c(C)cc3ccc(C)c(C)c3n12 903124 DNWNHIHRLANLME-UHFFFAOYSA-N 406.511 4.547 0 40 HJAB CCc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 919655 AMBBCTRLNVODAY-RHSMWYFYSA-N 404.392 4.951 0 40 HJAB O=C(NCc1ccccc1F)Nc1cccc(NC(=O)NCc2ccccc2F)c1 1092739 YSPNMEVMONUPCL-UHFFFAOYSA-N 410.424 4.608 0 40 HJAB O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)Nc1ccc2c(c1)CCC2 1329441 STOJQUDRKBXHRM-UHFFFAOYSA-N 400.507 4.844 0 40 HJAB CC1(C)Oc2ccc(C(=O)Nc3ccccc3)cc2N(Cc2ccc(F)cc2)C1=O 1342393 QONQOLZOTXOXCE-UHFFFAOYSA-N 404.441 4.782 0 40 HJAB CC(=O)Oc1ccc2c(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cc(=O)oc2c1 2120273 QNQJEDNPYSIAHQ-UHFFFAOYSA-N 417.200 4.799 0 40 HJAB biogenic COc1ccc(-c2coc3cc(OC(=O)c4ccccc4OC)ccc3c2=O)cc1 2153191 VIACOJXEGVZJKJ-UHFFFAOYSA-N 402.402 4.696 0 40 HJAB biogenic O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOCCOc1ccccc1 2324894 DEWPCOVWRGENGA-UHFFFAOYSA-N 420.896 4.813 0 40 HJAB CCCCCOC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc12 2345387 QQRDFXJKTRFMEE-UHFFFAOYSA-N 418.497 4.902 0 40 HJAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c1 2640532 MEWGVWWORGIRGN-UHFFFAOYSA-N 414.534 4.980 0 40 HJAB COCCCNC(=O)CCc1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O 4089119 LREGAPBCRNYPJK-UHFFFAOYSA-N 419.477 4.600 0 40 HJAB biogenic COc1ccc(C(=O)OCCOc2ccc(C=CC(=O)c3ccccc3)cc2)cc1 4267847 WPGBXKIPGJISEU-UHFFFAOYSA-N 402.446 4.827 0 40 HJAB biogenic Cc1cccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3c(C)cc(C)cc3C)s2)c1 4392930 SZPKOMQBOUCLMD-UHFFFAOYSA-N 421.566 4.650 0 40 HJAB Fc1ccc(-c2cc3nc(-c4ccccc4)cc(NCCCn4ccnc4)n3n2)cc1 4902545 KKQSPEXHMUADBB-UHFFFAOYSA-N 412.472 4.901 0 40 HJAB CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)ccc1OC)C2 4910790 AFVJXIDOPXBTFX-INIZCTEOSA-N 413.514 4.990 0 40 HJAB C[C@H]1CCN(C(=O)CSc2nnc(Cc3ccccc3)o2)c2ccccc2S1 4934356 OYCMMIDOPPTERO-HNNXBMFYSA-N 411.552 4.670 0 40 HJAB COc1ccc(/C=C/C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1OC 5428865 KHIPXTHPJZOUGG-UKTHLTGXSA-N 421.497 4.513 0 40 HJAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1ccc(C2CCCCC2)cc1 5679831 OXMHZXMGOGWCMM-XMMPIXPASA-N 422.550 4.762 0 40 HJAB Cn1c2ccccc2c2cc(/C=C/[C@@]34NC(=O)CN3c3ccccc3C4(C)C)ccc21 5791440 UWLCEXJROBTUKM-BTUVCSFDSA-N 407.517 4.969 0 40 HJAB COCCCn1c(C)cc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)c1C 6461080 GHGQZGOPFZZZHQ-UHFFFAOYSA-N 420.509 4.655 0 40 HJAB CCN(CC)C(=O)[C@@H](Sc1nnc2cc(C)c3ccccc3n12)c1ccccc1 6977630 HMABVCGWMOFKRR-NRFANRHFSA-N 404.539 4.893 0 40 HJAB Clc1cccc(-n2c(SCc3nc4ccccc4o3)nnc2N2CCCC2)c1 6994755 AFVBEYGICABQEI-UHFFFAOYSA-N 411.918 4.954 0 40 HJAB Cc1ccc(CN2C(=O)[C@]3(SCC(=O)N3c3ccc(F)cc3)c3ccccc32)cc1 6997095 KEPVRCMLLDRDBQ-XMMPIXPASA-N 418.493 4.614 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)/C=C/c1ccccc1)CC2 7408670 VMJFTSNVGBBOPA-NFPSEPLVSA-N 405.519 4.953 0 40 HJAB C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(CC)cc3)C(C)=C2C(=O)OC)cc1 8085619 DSTSPYNYILKSJK-JWGURIENSA-N 403.478 4.691 0 40 HJAB CC(=O)Nc1ccc(C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1 8945106 CHKRJHGQMQVDMM-UHFFFAOYSA-N 407.853 4.791 0 40 HJAB Cc1cccc(CCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 9062761 KHNDKBHDSOIBND-UHFFFAOYSA-N 402.941 4.749 0 40 HJAB O=C(COc1ccc(Br)cc1)N(Cc1ccco1)Cc1cccs1 9204303 NZXUOOJSDKQCAJ-UHFFFAOYSA-N 406.301 4.711 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccc(N2CCCCC2)cc1 9668130 GICXOMQNOJGEGL-UHFFFAOYSA-N 417.962 4.531 0 40 HJAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1c(C)cccc1C 12414316 GRWHASUWAPQDBR-UHFFFAOYSA-N 415.536 4.928 0 40 HJAB Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442024 SLECFKUIJDLTKB-OAHLLOKOSA-N 422.485 4.849 0 40 HJAB Fc1cccc(Cl)c1CSc1nc(CN2CCOCC2)nc2ccccc12 12707559 AZFHTVWWAIDHIU-UHFFFAOYSA-N 403.910 4.547 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cc(Cl)cc(Cl)c1 12734910 BFDXVEGCVBBRIX-UHFFFAOYSA-N 401.175 4.845 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 14426492 VYOURPLTELDZKG-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB Cn1ccnc1-c1nc(N[C@H]2CCOc3ccccc32)ncc1-c1ccccc1F 19291621 ISGPYTAORHBARS-IBGZPJMESA-N 401.445 4.619 0 40 HJAB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)N1CCC[C@H]2CCCC[C@H]21 19354850 BIHLQEJWPWIFQH-CZUORRHYSA-N 409.477 4.922 0 40 HJAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(F)cc4)ccc32)cc1 20766031 YSRGVSRGEFYCIA-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB CN(Cc1ccc(Cl)cc1Cl)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 24732434 QTHUBJJVFRIZFD-UHFFFAOYSA-N 401.334 4.599 0 40 HJAB COc1ccc(C(=O)OCCOc2cccc(Cl)c2)cc1OCc1ccccn1 24776161 PKRAAPHZOOTYDB-UHFFFAOYSA-N 413.857 4.558 0 40 HJAB CCCCCC[C@H](C)NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 26183819 JLSOVGRPZITCKD-AWEZNQCLSA-N 420.907 4.944 0 40 HJAB O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(CCc2ccncc2)CC1 27663203 BVALJHSTRAOIJH-UHFFFAOYSA-N 420.365 4.604 0 40 HJAB O=S(=O)(c1cccc2cccnc12)N(Cc1ccc(Cl)cc1)Cc1ccco1 28248250 WXLPMPZBVOWJNF-UHFFFAOYSA-N 412.898 4.872 0 40 HJAB Cc1ccc(-n2c(/C=C3/C(=O)N(C(C)C)c4ccccc43)nc3ccccc3c2=O)cc1 32010852 HFTPAKARXZGVTG-CJLVFECKSA-N 421.500 4.990 0 40 HJAB O=C(C1CCCCC1)n1nc(-c2cccnc2)nc1NCc1ccc2[nH]ccc2c1 32104239 OPOAERQFAFOAPF-UHFFFAOYSA-N 400.486 4.654 0 40 HJAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1OC 32115375 DKDBNZSCZDCFER-UHFFFAOYSA-N 419.934 4.604 0 40 HJAB CCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1Cc1ccco1)C1=CCCC1 32724090 VFWKKLYRJRXTMX-UHFFFAOYSA-N 422.554 4.903 0 40 HJAB Cc1ccc(-c2nc(CC(=O)N(C)Cc3ccc(Br)cc3)cs2)o1 32816080 OZISSLCBNHYLJQ-UHFFFAOYSA-N 405.317 4.675 0 40 HJAB CC(=O)Nc1cccc([C@H](C)N(CC(=O)N[C@@H]2CCCC[C@H]2C)Cc2ccccc2)c1 32909358 WWJSHHNOZQNMMT-OHUGHZGNSA-N 421.585 4.903 0 40 HJAB CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1F 33740436 FWHPNHXAUOMDKD-UHFFFAOYSA-N 406.486 4.988 0 40 HJAB Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)c2ccc(F)cc2)CC1 35315867 LUILHNOEMRPSQB-UHFFFAOYSA-N 405.395 4.980 0 40 HJAB CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(C(F)(F)F)cc3)n2)cn1 35426281 KBPAOLCSVLMESF-KRWDZBQOSA-N 417.435 4.554 0 40 HJAB biogenic,in-vitro Cc1noc(CSc2nnc(-c3cc4c(s3)CC[C@H](C(C)(C)C)C4)n2C)n1 36692748 BZVUVZCKMYYNGZ-ZDUSSCGKSA-N 403.577 4.678 0 40 HJAB Cc1cc([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)c(C)s1 40080809 MMHSEDUKBVTIOD-VGOFRKELSA-N 406.551 4.583 0 40 HJAB Cc1cc(N(C)C)ccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 40111621 DDVUOFDMXYBULY-UHFFFAOYSA-N 402.420 4.826 0 40 HJAB CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccccc1OC(F)F 40135103 CVJNQOYLIORIRW-UHFFFAOYSA-N 403.404 4.522 0 40 HJAB CCOc1ccccc1CCCNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 44909858 TZQNKLKRYVAMRI-OAQYLSRUSA-N 414.977 4.700 0 40 HJAB Cn1nc2c(c1NC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCC2 65856159 KYUGBSQPTNWHIJ-AATRIKPKSA-N 403.326 4.598 0 40 HJAB CCCCOc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C(C)C 69531991 DCEKVPNDFAWFQJ-UHFFFAOYSA-N 410.624 4.576 0 40 HJAB Cc1nc(NC2CCCCC2)sc1C(=O)NCc1ccc(Br)cc1 71326698 CNVHIFLBJHMRJW-UHFFFAOYSA-N 408.365 4.889 0 40 HJAB Nc1cc(C(=O)OCc2csc(-c3ccc(Br)cc3)n2)cnc1Cl 95452617 OHDDYDCCDCYVOC-UHFFFAOYSA-N 424.707 4.560 0 40 HJAB O=C(C1c2ccccc2Oc2ccccc21)N1[C@@H]2CC[C@@H]1CC(O)(c1ccco1)C2 100128984 XJZKHIMCXMYMMI-IAGOWNOFSA-N 401.462 4.558 0 40 HJAB COC(=O)COC(=O)COc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 118081188 NVZHZSGHNSEHHM-UHFFFAOYSA-N 419.644 4.534 0 40 HJAB COc1ccc(-c2nnc(NC(=O)CSCc3c(F)cccc3Cl)s2)cc1 224172862 YRLZAXPYLSMKFM-UHFFFAOYSA-N 423.922 4.878 0 40 HJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1 224192113 IHOVMIGNOYYZLG-DHIUTWEWSA-N 411.534 4.753 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NC3CCCCCC3)ccc2C)cc1 224308303 XWLUPJBLYFYREN-UHFFFAOYSA-N 414.571 4.581 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 224653678 HIMLBRAYXYSRPX-DEOSSOPVSA-N 424.585 4.570 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)c1 224704341 VNSPMQQUYLWEGW-NRFANRHFSA-N 406.570 4.712 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 224705982 ZYJSWDFPDVTJFD-QFIPXVFZSA-N 414.977 4.852 0 40 HJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)ccc1Br 224917703 OMHVYOSTQKLKMT-ZWKOTPCHSA-N 414.328 4.923 0 40 HJAB COc1cccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)c1OC 225043399 PDOIZADIFJXPBZ-UHFFFAOYSA-N 400.327 4.674 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 225162618 IPZWPATYSBTLLO-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1 225382036 SGKUPPATJVJYLC-GOTSBHOMSA-N 418.566 4.919 0 40 HJAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(OC2CCCC2)cc1 225787787 QCNHGALLWCFNCJ-MRXNPFEDSA-N 400.544 4.771 0 40 HJAB O=C(Cc1ccc(O)cc1)N1CCCC[C@@H]1c1ccc(Cc2cccc(F)c2)nc1 257280829 OMOVRUJQNVGIHD-XMMPIXPASA-N 404.485 4.813 0 40 HJAB CO[C@]1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCC[C@H](C)C1 260818191 WYOVNAMKXAJKJT-MZLICYQSSA-N 402.579 4.864 0 40 HJAB O=C(/C=C/c1cc(F)ccc1F)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 390826227 FVFJTUPPDNKMCD-VMPITWQZSA-N 422.479 4.708 0 40 HJAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)C1c2ccccc2Oc2ccccc21 390827928 MFCVALYHJIYNAV-DEOSSOPVSA-N 417.486 4.631 0 40 HJAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(OC)c2)cc1 408675431 IOVSIQBRUQPALZ-UHFFFAOYSA-N 414.461 4.835 0 40 HJAB CCCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)NC1=S 409088003 DKYQYXJEWQFPKB-JCMHNJIXSA-N 402.519 4.886 0 40 HJAB O[C@]1(COc2ccc(Cl)c(Cl)c2)CCCN(Cc2ccc3nc[nH]c3c2)CC1 585270094 DXBQVEBDQVGMKV-OAQYLSRUSA-N 420.340 4.666 0 40 HJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618255448 PZTXRGIVEWZBLW-CYBMUJFWSA-N 403.269 4.622 0 40 HJAB CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@H]1Oc1ccccc1 1199187848 USVDDTJQZMZRBD-KZNAEPCWSA-N 412.383 4.591 0 40 HJAB C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)C1 778786 WCBOYVQRDPWZLY-NRFANRHFSA-N 406.570 4.736 0 40 HJAB C[C@H]1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 890852 MYDDWAHRZALIQI-LBPRGKRZSA-N 413.440 4.795 0 40 HJAB C[C@H]1CCCCN1C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 901460 GHPXEXXLPQXYKG-NSHDSACASA-N 401.479 4.717 0 40 HJAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(OCC)cc3)c2c1 952872 MELUZSMSYMAOBX-UHFFFAOYSA-N 408.454 4.731 0 40 HJAB CCOC(=O)C1=CN(c2ccc(C)cc2)C=C(C(=O)OCC)C1c1ccccc1F 968770 BWLYRKMZECJRLM-UHFFFAOYSA-N 409.457 4.632 0 40 HJAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C 2241190 QEGPSBKAJLUPQE-UHFFFAOYSA-N 400.935 4.990 0 40 HJAB O=C(c1cc2ccccc2oc1=O)N1CCS[C@H]1c1ccc2c3c(cccc13)CC2 2279995 PWUKWIFKGPHNFC-DEOSSOPVSA-N 413.498 4.933 0 40 HJAB CC(C)Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)s1 2401696 TYJJHBIGSDLQEK-IBGZPJMESA-N 417.490 4.593 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(c1nc(C)cs1)C3=O 2407693 YAABOMIYSXIPLX-GOSISDBHSA-N 406.438 4.755 0 40 HJAB Cc1ccc(C)c(CSC2=NCCN2S(=O)(=O)c2ccc3ccccc3c2)c1 2711631 GEGOGIZSIAYGRK-UHFFFAOYSA-N 410.564 4.750 0 40 HJAB COc1ccccc1C(=O)CSc1nnc(-c2ccoc2C)n1-c1ccccc1 3397996 ONFQTZHNZXEOPA-UHFFFAOYSA-N 405.479 4.819 0 40 HJAB O=C(NC[C@H]1OCCc2ccccc21)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 3635461 LWPFMMNJPLVHBX-JOCHJYFZSA-N 420.896 4.636 0 40 HJAB aggregator O=C(NC(=S)NCCC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 4070781 ONIGEWKCEFQOEF-UHFFFAOYSA-N 400.632 4.800 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccncc1 4169763 MRZNMFZTJUDMPL-UHFFFAOYSA-N 401.923 4.524 0 40 HJAB CCCCN1C(=O)c2cccc3c(NC(=O)c4cc(=O)c5ccccc5o4)ccc1c23 4224115 XVHNOXOTLNBBSY-UHFFFAOYSA-N 412.445 4.959 0 40 HJAB COc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(C(C)=O)cc3)nc12 4273234 YVBKFIXFZLOXTG-UHFFFAOYSA-N 417.490 4.750 0 40 HJAB Nc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1 4585239 FHMRXWBLTYDZRH-UHFFFAOYSA-N 407.832 4.797 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)c3coc(=O)c(Br)c3)ccc21 4955060 DDIHSEVDUSGBGE-UHFFFAOYSA-N 411.255 4.782 0 40 HJAB CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)c1 5243678 FETSXAGJDYHSBL-OAQYLSRUSA-N 416.433 4.628 0 40 HJAB COc1cc(-c2nnc(CSc3ccc4ccccc4n3)o2)cc(OC)c1OC 5626765 YQZDBJNVUXCLIA-UHFFFAOYSA-N 409.467 4.603 0 40 HJAB O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccc2ccccc2c1 6462590 PVICLKMSKNRYTP-UHFFFAOYSA-N 410.473 4.787 0 40 HJAB CCOc1ccc(C[C@H]2SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 6964125 WMDCPSNGOAUKHD-GOSISDBHSA-N 405.903 4.554 0 40 HJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1c(F)cccc1F 8255883 CXKAVACCXBMEBM-JTQLQIEISA-N 406.483 4.739 0 40 HJAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)cc1 8657316 SSXMYZIGHRTZRI-FQEVSTJZSA-N 411.505 4.922 0 40 HJAB Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)cc1 8915787 FAWBZOHIQSIZQK-IBGZPJMESA-N 408.325 4.888 0 40 HJAB CN1C(=O)c2cc(NS(=O)(=O)c3ccccc3Cl)ccc2Oc2ccccc21 8961024 MMDRVIGNXUMVAI-UHFFFAOYSA-N 414.870 4.523 0 40 HJAB Cc1ccc(N2C(=O)N=C(O)[C@@]3(Cc4c(ccc5ccccc45)N(C)C3)C2=O)c(C)c1 8974388 JQFYPQGQFAACIX-VWLOTQADSA-N 413.477 4.559 0 40 HJAB Cn1ccnc1SCc1cc(=O)c(OC(=O)c2ccc(-c3ccccc3)cc2)co1 9712940 LRDKPQUAUAKIAL-UHFFFAOYSA-N 418.474 4.552 0 40 HJAB CC(=O)c1sc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)nc1-c1ccccc1 10442522 BXKHDOCVVNBFSV-UHFFFAOYSA-N 419.510 4.899 0 40 HJAB Cc1nc(SCCCCN2C(=O)c3ccccc3C2=O)cc(-c2ccccc2)n1 12016962 UTGMHZYVAWAKSU-UHFFFAOYSA-N 403.507 4.621 0 40 HJAB Cc1nccc(-c2sc(C3CCN(Cc4ccc(F)c(F)c4)CC3)nc2C)n1 12186138 CQOUPGOXAQQQHW-UHFFFAOYSA-N 400.498 4.875 0 40 HJAB COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1cccnc1Cl 12407140 WJASVSDNKKXAGO-UHFFFAOYSA-N 406.825 4.769 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Br)c(C)c1 13138102 XEHWXPAXHDCYCP-UHFFFAOYSA-N 419.138 4.629 0 40 HJAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1cc(Br)ccc1Cl 13695873 VRWADDABPIBXCS-UHFFFAOYSA-N 419.706 4.654 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(F)c2)cc1 13936217 VRPQASNGYZSMRV-UHFFFAOYSA-N 415.515 4.744 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(F)cc1 14081571 OTMKXIXGORTWFX-UHFFFAOYSA-N 424.423 4.854 0 40 HJAB CC(C)NC(=O)CSc1ccccc1C(=O)Nc1nc2ccc(Cl)cc2s1 14255245 DQYCVVDGALFGLW-UHFFFAOYSA-N 419.959 4.819 0 40 HJAB Cc1sc2ncnc(N3CCN(Cc4csc(-c5ccccc5)n4)CC3)c2c1C 14709903 WPERGCUQRRYXEE-UHFFFAOYSA-N 421.595 4.754 0 40 HJAB O[C@@H](COc1ccc(Cl)cc1)Cn1c(COc2ccccc2)nc2ccccc21 15860760 KSKCAHAAIHLNDP-GOSISDBHSA-N 408.885 4.709 0 40 HJAB CCn1cc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c(C)n1 19524557 LGSFLWFAZSPAKA-FQEVSTJZSA-N 408.502 4.712 0 40 HJAB CCn1c(SCc2cccs2)nnc(Nc2cccc(Br)c2)c1=O 28538135 VQWMGDUNFQAJQG-UHFFFAOYSA-N 423.361 4.518 0 40 HJAB Cc1ccc(S(=O)(=O)c2ccc(CSc3nnc(-c4cccnc4)o3)cc2)cc1 32324604 JEAPZLCGSVKYGA-UHFFFAOYSA-N 423.519 4.565 0 40 HJAB COc1cc(NC(=O)CSc2nc3cc(Cl)cc(Cl)c3[nH]2)cc(OC)c1 32691709 SFRCIARPFTYVRO-UHFFFAOYSA-N 412.298 4.618 0 40 HJAB CCOCN(C(=O)CSc1nc2cc(OCC)ccc2[nH]1)c1c(C)cccc1C 35167665 ZSPHVZATTPGPEB-UHFFFAOYSA-N 413.543 4.698 0 40 HJAB CCN(CC)Cc1ccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 38756129 HLQJGHUKZBGIMZ-INIZCTEOSA-N 402.560 4.665 0 40 HJAB Cc1cc(C)cc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 38833548 ZJWDTWMXXMECPL-UHFFFAOYSA-N 401.348 4.917 0 40 HJAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)C1 45887581 WRDCSHAZOVJKPZ-AWEZNQCLSA-N 412.873 4.681 0 40 HJAB O=C(Nc1ccc(Cn2cnc(C(=O)Nc3cccc(F)c3)c2)cc1)c1ccccc1 49421941 RZQROGWAOKCWLW-UHFFFAOYSA-N 414.440 4.575 0 40 HJAB COc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCC2 71281327 PXSCTDUKUKXVEU-QFIPXVFZSA-N 406.526 4.842 0 40 HJAB CCCn1c(SCC2(COc3cccc(COC)c3)CC2)nnc1-c1ccncc1 89960664 JYIIRIJDAMRQIB-UHFFFAOYSA-N 424.570 4.848 0 40 HJAB COc1cccc(/C=C2\N=C(C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)OC2=O)c1OC 102987635 NSLZKJSWFLTBFO-YRPFWUBFSA-N 401.890 4.578 0 40 HJAB C[C@@H](NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 108859005 HZWNNSKPSQWJKP-VUHPKUFZSA-N 418.493 4.593 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 222807645 GTWZZKWSVYJWDM-GOSISDBHSA-N 414.977 4.913 0 40 HJAB CCc1ccc(O[C@H](CC)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 222902800 ABMPTKKAMXUPQC-LJQANCHMSA-N 413.905 4.768 0 40 HJAB Fc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccco1 223355767 HNDBXFJFGSKZDV-FGZHOGPDSA-N 418.497 4.777 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OC(C)C)c(OC)c1 223410557 PLNJTWZMKWEFRS-JOCHJYFZSA-N 411.542 4.835 0 40 HJAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2sccc2C)cc1 223959285 IQKSEDAIABRJPM-MOPGFXCFSA-N 408.552 4.587 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 223983389 FBTVTJJIWFUPPA-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 224110199 PULWBSNMUQHOAA-MRXNPFEDSA-N 421.368 4.725 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 224999789 BWMDLKCYEUERRE-PMACEKPBSA-N 424.585 4.695 0 40 HJAB COc1cc2c(cc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(C)cc1)CCCC2 225002497 PUJJCFDVHXFNQT-RUZDIDTESA-N 421.562 4.950 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 225641860 VCSNLTMVMFDAEG-HRAATJIYSA-N 418.940 4.744 0 40 HJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225699283 YEAUGMHZALWYHX-ROKPMTFOSA-N 404.595 4.967 0 40 HJAB O=C(Cc1ccc(Cl)cc1F)Nc1ccccc1C(=O)NCCc1ccccc1 225823747 REGPCDOVGAWYCA-UHFFFAOYSA-N 410.876 4.633 0 40 HJAB O=C(Nc1ccc(I)cc1)c1cc(-c2ccc(Cl)cc2)on1 225899560 VLKWXZTXHNRXGV-UHFFFAOYSA-N 424.625 4.852 0 40 HJAB C[C@H](NC(=S)Nc1nc(N2CCCC2)cc(N2CCCC[C@@H]2C)n1)c1ccccc1 225957658 HBXQLELFTUUPKQ-ROUUACIJSA-N 424.618 4.503 0 40 HJAB COc1cc(Br)c2[nH]c(-c3ccc(OC)c(Br)c3)nc2c1 226343467 FUNQACHKEUIODU-UHFFFAOYSA-N 412.081 4.772 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(C(=O)O)o3)c2)cc1 226355629 XHABAERBIQCDCJ-UHFFFAOYSA-N 414.870 4.733 0 40 HJAB OCc1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 236503667 LQCYZJFWCFSVBE-UHFFFAOYSA-N 406.501 4.936 0 40 HJAB CC(C)c1ccc(C[C@]2(C)Cc3cc(CCC(=O)N(CCO)C(C)C)ccc3O2)cc1 257213234 CGSFBXFIPFSDIA-HHHXNRCGSA-N 423.597 4.908 0 40 HJAB O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 408659995 LCQDXCQCNVFQQC-VUUXKUSKSA-N 418.276 4.922 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(F)cc3)n2)cc1 408695850 TZQZNRXFGIEDEB-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB O=C1N/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1Cc1ccccc1F 409073594 QMDFJFZAWYZONM-LPYMAVHISA-N 420.415 4.637 0 40 HJAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 409152771 BTCGIEPJZDKJSY-ZHZULCJRSA-N 424.522 4.849 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2ccc(C(F)(F)F)cc2)C1=O)Nc1cccc(F)c1 409221301 OETFOZWQFSDXOI-OVCLIPMQSA-N 424.375 4.520 0 40 HJAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1 409359588 WVPZLZNCAFAGTQ-MOSHPQCFSA-N 424.522 4.767 0 40 HJAB COc1cc2c(cc1OC)[C@H](NC(=O)[C@H](C)c1ccc(C[C@@H]3CCCC3=O)cc1)CC2 524732344 QHCBMIKLZYFYHU-QGCDCVKKSA-N 421.537 4.523 0 40 HJAB Cc1ccc(-c2ccc(/C=C/c3nc4ccccc4c(=O)n3N)o2)c(Br)c1 575414823 SQEPJDGADGUOGZ-DHZHZOJOSA-N 422.282 4.612 0 40 HJAB CN(C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)[C@@H]1CCCc2c1cnn2C 676676022 MPAWQTRJMYOHRI-OAHLLOKOSA-N 422.476 4.517 0 40 HJAB O=C(NCCc1ccc(-c2cccs2)s1)C(=O)Nc1ccc(F)c(Cl)c1 1889291910 GQBGYRUKWQIRSZ-UHFFFAOYSA-N 408.907 4.567 0 40 HJAB CC1=C(C)[C@@]2(C)N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)[C@]1(C)C(=O)C2(C)C 638667 RJSPLZUDWDKBBQ-FCHUYYIVSA-N 408.539 4.852 0 40 HJAB O=C(NCc1cccs1)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F 674417 YLYOLGJBIXUJEP-JSGCOSHPSA-N 412.462 4.596 0 40 HJAB COc1ccc(C(=O)C[C@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1 903137 GCTCLTKCXPVUFJ-OAQYLSRUSA-N 400.521 4.853 0 40 HJAB O=c1cc(COc2ccc(-c3ccccc3)cc2)nc2ccc(Br)cn12 2634654 DZMPFNKRCOHALN-UHFFFAOYSA-N 407.267 4.703 0 40 HJAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC4CCCCC4)c3N2)cc1 3012826 INFKBITWMJUEPP-QZTJIDSGSA-N 406.452 4.914 0 40 HJAB O=C(CSc1ncnc2c(-c3ccc(F)cc3)nsc12)OCc1ccccc1 4160803 QXQXHBLYHKSTPI-UHFFFAOYSA-N 411.483 4.728 0 40 HJAB Cc1ccc(-c2c(C)sc3ncnc(N4CCN(c5ccccn5)CC4)c23)cc1 4748099 CHOZHSHNQGRCHS-UHFFFAOYSA-N 401.539 4.697 0 40 HJAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(C)cc3)c3cc(Cl)ccc32)cc1 4784331 OTBTXDVYMAVCBS-VWLOTQADSA-N 419.908 4.964 0 40 HJAB CSc1nc2n(n1)[C@H](c1ccccc1Cl)C(C(=O)Nc1ccccc1)=C(C)N2 6728677 VBBGKPWYKIZHRM-QGZVFWFLSA-N 411.918 4.581 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCc3c[nH]c4ccccc34)n2)cc1 6905586 UUYGTRBWJGNYII-UHFFFAOYSA-N 404.495 4.821 0 40 HJAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(OCCC(C)C)cc3)CC2=O)cc1 6962957 SKHCENKOZXHOMB-GOSISDBHSA-N 410.514 4.502 0 40 HJAB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 7388183 NIVXXTWJMWJDCO-UHFFFAOYSA-N 421.585 4.931 0 40 HJAB C[C@@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21 7546814 RMTHBIHPXXUYLU-XXBNENTESA-N 409.533 4.867 0 40 HJAB Cc1cc(-c2nnc(CSc3nnc(Cc4cccs4)n3C3CC3)o2)c(C)o1 7844539 YYUIJCSHMOHXGR-UHFFFAOYSA-N 413.528 4.817 0 40 HJAB COc1cc(Cl)c(C[C@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 8106897 UHNGDXZOQVEEKZ-MRXNPFEDSA-N 412.294 4.822 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 8434548 IFYABQMNQUCUBE-UHFFFAOYSA-N 408.841 4.851 0 40 HJAB OCCn1c(COc2ccc(Br)cc2Cl)nc2ccc(Cl)cc21 9513252 SDUNUBUMCDNOAI-UHFFFAOYSA-N 416.102 4.677 0 40 HJAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 9576906 AFXUFHAXXJXVPR-HNNXBMFYSA-N 400.507 4.929 0 40 HJAB CSCC[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 9612754 LYIMLLZUAZCEJH-KRWDZBQOSA-N 423.460 4.571 0 40 HJAB O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)Nc1ncc(Cl)cc1Cl 9963956 WGOQKNUTNBTQKI-UHFFFAOYSA-N 418.280 4.544 0 40 HJAB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3ccccc3)o2)CC1 10010486 RJZHPEMJYKJJTM-UHFFFAOYSA-N 423.900 4.521 0 40 HJAB CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 10112208 XDVMHUJOLNWFFM-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB Cc1ccc(S(=O)(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 10120398 YJLLOWXGRYNOMP-UHFFFAOYSA-N 406.507 4.899 0 40 HJAB Cc1cc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)ccc1Br 10917050 DTONIBLYEUMUHU-UHFFFAOYSA-N 418.287 4.520 0 40 HJAB COc1ccc(OCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 11667418 KELYWURGXSMYTO-KRWDZBQOSA-N 419.481 4.598 0 40 HJAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(NC(=O)c2cccs2)n(C(C)C)c1C 12391874 OTNMQYJOAGKLEH-UHFFFAOYSA-N 420.531 4.972 0 40 HJAB O=C(CCCOc1ccc(Cl)cc1Cl)NCc1cn2cc(Cl)ccc2n1 12556900 HVUPWNOLVKQHNR-UHFFFAOYSA-N 412.704 4.770 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c(F)c3)C2)c2ccccc12 12747626 PRKXXRWUFLCLIO-KRWDZBQOSA-N 420.484 4.787 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCc1nn2c(-c3cccs3)nnc2s1 13655931 JQDZBOIHMNQBTB-UHFFFAOYSA-N 406.540 4.502 0 40 HJAB CC(C)CN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C1=O 16575212 PIVGODKYSBPDII-ODLFYWEKSA-N 411.479 4.656 0 40 HJAB CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)cc4F)nccn3n2)cc1 16841656 FHCKZZCOKFCUQP-UHFFFAOYSA-N 424.476 4.968 0 40 HJAB O=C(Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21)c1cccc2ccccc12 17089168 DFBUJQYTIWOBRV-UHFFFAOYSA-N 412.489 4.705 0 40 HJAB O=C(NCc1c(-c2ccc(F)cc2)nc2n1CCS2)c1cccc2ccccc12 17201152 BXRKJLOKJBHWHD-UHFFFAOYSA-N 403.482 4.878 0 40 HJAB CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 17361165 AIQCIZGMDSAIQZ-UHFFFAOYSA-N 424.522 4.743 0 40 HJAB Cc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc2c(c1)NC(=O)[C@@H](C)O2 19796608 IHDNEPUZZZCXMM-SNVBAGLBSA-N 413.886 4.744 0 40 HJAB CC[C@@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1 20109075 ZFRXGNOEZLYWAF-JOCHJYFZSA-N 422.550 4.985 0 40 HJAB O=C(NCCSc1ccccc1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 23956744 KQWIJZZITXWLFZ-FQEVSTJZSA-N 418.562 4.601 0 40 HJAB Cc1nn(C)c(C)c1CC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 25536010 ZJAXSEHJGGUNIW-HXUWFJFHSA-N 420.944 4.662 0 40 HJAB Cc1ccc2oc(C(=O)NC[C@H](c3ccc(C(C)C)cc3)N3CCOCC3)c(C)c2c1 28291648 ZWBSJFWEGXCOCS-HSZRJFAPSA-N 420.553 4.976 0 40 HJAB C[C@@H](OC(=O)c1cc2cc(Br)ccc2[nH]1)c1nc(-c2cccs2)no1 29305630 SFUFODXOTBOUOA-SECBINFHSA-N 418.272 4.960 0 40 HJAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(C)cc2)c1 29626381 WFCXMCPXJWGXHF-UHFFFAOYSA-N 414.505 4.960 0 40 HJAB COc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)c2nccn2C)c1 29729882 IDQZIFQJSMUCNN-HTAPYJJXSA-N 406.530 4.702 0 40 HJAB O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 32902763 QDEBGZWLICLHLZ-QGZVFWFLSA-N 406.507 4.922 0 40 HJAB COc1ccccc1Cn1cnc2c3ccccc3n(Cc3cccc(F)c3)c2c1=O 35400234 VAODZVUEJVNZSU-UHFFFAOYSA-N 413.452 4.596 0 40 HJAB CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nc3ccccc3s2)[C@@H]1c1ccccc1 36354904 MEXCUENPHMSICU-RTWAWAEBSA-N 413.502 4.846 0 40 HJAB CCN(Cc1cccc(NC(=O)c2ccc(CSC)cc2)c1)C(=O)C(F)(F)F 40088020 FJKNUNBLAQWHKY-UHFFFAOYSA-N 410.461 4.713 0 40 HJAB CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2ccc3[nH]ccc3c2)s1 44917544 DBGGABYBCVHVIB-UHFFFAOYSA-N 404.495 4.738 0 40 HJAB CC[C@@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(OC)cc1 44936301 VGZVQMMDIABBTC-JOCHJYFZSA-N 400.950 4.828 0 40 HJAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)N[C@@H](C)c3ccccc3)n2)cc1 46012198 YFKSJMPGXMVKFD-SFHVURJKSA-N 413.477 4.968 0 40 HJAB O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 57316488 XPMGPQVOKGMTPW-UHFFFAOYSA-N 415.312 4.514 0 40 HJAB COc1ccc(Cl)cc1-c1nc(S)n(CN2CCc3sccc3[C@@H]2C)n1 57451897 OVZMJIUKTXPTBZ-NSHDSACASA-N 406.964 4.534 0 40 HJAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCCc2cc(Br)cc(F)c21 58244931 DHHOFRNDYDLVKP-UHFFFAOYSA-N 412.642 4.563 0 40 HJAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(OCCn2cccn2)c1 65607953 OWPTWAFOOCBKOB-LJQANCHMSA-N 404.514 4.795 0 40 HJAB CN(C)C1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)CC1 72027826 NTYQQOFXUQOENB-UHFFFAOYSA-N 421.310 4.547 0 40 HJAB O=C(Nc1cc(-c2ccc(F)cc2F)no1)C1CCN(c2nc3ccccc3o2)CC1 72311537 GEGQLGVIJZFIFA-UHFFFAOYSA-N 424.407 4.616 0 40 HJAB O=C(c1cccnc1)N1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358713 GQIQMXXGDAUNEE-QGZVFWFLSA-N 412.415 4.577 0 40 HJAB CC(=O)c1ccc(NC(=O)C2CN(c3nc4c(C(F)(F)F)cccc4s3)C2)cc1 77099688 BSPCMGKYWDRBEZ-UHFFFAOYSA-N 419.428 4.593 0 40 HJAB O=C(CC1CCCC1)N1CCC2(CC1)C[C@@H](CC(=O)N1CCCC1)c1ccccc1O2 96242975 LQQKELGJDUICOD-OAQYLSRUSA-N 424.585 4.507 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)c3ccccc3F)CC2)on1 100743584 CELLFMSXTQTNFD-CALCHBBNSA-N 408.477 4.591 0 40 HJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c1 101000640 CZNJUCWEUUULRC-BDTNDASRSA-N 418.880 4.700 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1Cc1cccnc1 223455739 AEECLDBGRANCET-YADHBBJMSA-N 403.555 4.566 0 40 HJAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1 224166977 OLZNJGWWKLGFPK-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224388386 HTCGPJYCXPBWJT-HXUWFJFHSA-N 400.950 4.605 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 224776203 OAKDSWNMKNPHIC-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB COc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1Cl 224952689 OOZROODLXOZPLQ-UHFFFAOYSA-N 403.887 4.966 0 40 HJAB CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(SC)cc1 224990939 WKEIKCQAFNTNOA-UHFFFAOYSA-N 404.326 4.525 0 40 HJAB O=C(c1ccc(NC(=S)NCCSCc2ccccc2)cc1)N1CCCCC1 225291568 MKBCCUSMCBSNNH-UHFFFAOYSA-N 413.612 4.533 0 40 HJAB CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cn1 225932561 RPHOXIQBEGTOET-UHFFFAOYSA-N 401.938 4.516 0 40 HJAB COc1cccc(C(=O)N2CCC3(CC2)Oc2cc(C)ccc2[C@H]2OCCC[C@@H]23)c1 257205809 BAQUMAJKFCUOKX-JTHBVZDNSA-N 407.510 4.539 0 40 HJAB CCOc1ccccc1C(=O)NC[C@H]1CC[C@H](c2nn(C)cc2-c2ccncc2)CC1 257258082 KSIWJZZANODFRU-KESTWPANSA-N 418.541 4.585 0 40 HJAB CCCOc1ccc(C)cc1-c1ccc(C(=O)NCCO)c(CCc2ccccc2)c1 257262920 LNQMWADEXOWROV-UHFFFAOYSA-N 417.549 4.958 0 40 HJAB CC(C)(C)C(=O)N[C@@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)[C@H]2CC=CCC2)CC1 257343525 ZTIVXWUJYHWWEH-CADBVGFASA-N 417.619 4.625 0 40 HJAB Cc1ccc2nsnc2c1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1Cl 408573794 OHMKBXJTJGTFOM-QPJJXVBHSA-N 423.350 4.833 0 40 HJAB CCOc1cc(C(=S)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1 408578826 ZMRHSPRDZKMFAQ-UHFFFAOYSA-N 421.518 4.858 0 40 HJAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 408581743 AHCITBCTQAHESB-UHFFFAOYSA-N 416.330 4.572 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 408641122 KONWKEBGENJKRJ-FQEVSTJZSA-N 422.525 4.642 0 40 HJAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3=C(C)c3ccccc3)[C@H]2C1=O 409368258 VZVSHZDOUQOCML-KLDKWKSESA-N 405.881 4.744 0 40 HJAB O=C(c1cc2c(Cl)cccc2[nH]1)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 409414567 MUMOMJJBRFKSKD-OIDISNMWSA-N 409.961 4.857 0 40 HJAB COc1ccccc1-c1cccc(CN2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)c1 585261967 VDEGQFZYSJVJTR-RUZDIDTESA-N 415.537 4.730 0 40 HJAB O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1ccc(Cl)cc1 801896 WKBQVKMGQWVLLD-UHFFFAOYSA-N 400.916 4.842 0 40 HJAB Cc1cc(C)c2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1 1359692 FHWJDGUXGIMWOC-FQEVSTJZSA-N 424.928 4.620 0 40 HJAB Cc1ccc(C)c(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)c1 2245952 KQALIRLBIADKSU-UHFFFAOYSA-N 402.498 4.976 0 40 HJAB CCOc1ccc(CN(C)C(=O)/C=C/c2cccc(Br)c2)cc1OC 3334356 FGRRKLMLXJSZJY-PKNBQFBNSA-N 404.304 4.528 0 40 HJAB COc1ccc2c(c1)CCc1sc(NC(=O)c3cccc(Br)c3)nc1-2 3651718 YFPVYUCWWQCDOR-UHFFFAOYSA-N 415.312 4.932 0 40 HJAB aggregator O=C(c1ccco1)c1noc(-c2ccc(Cl)cc2)c1S(=O)(=O)c1ccccc1 3848874 LGFNTBXMXXYMHW-UHFFFAOYSA-N 413.838 4.652 0 40 HJAB biogenic CC(C)(C)NC(=O)O[C@@H]1CS[C@@H]2c3ccccc3C(=O)N2Cc2sccc21 4108892 PWDISRYZBGDCPW-CRAIPNDOSA-N 402.541 4.715 0 40 HJAB CCCCOc1ccc(C(=O)NCCc2csc(-c3ccc(OC)cc3)n2)cc1 4167101 BCNYRQJCBULHRY-UHFFFAOYSA-N 410.539 4.970 0 40 HJAB Cc1cccc2sc(N(CCCN(C)C)C(=O)c3nc4ccccc4s3)nc12 4359691 JLRFJUREUXGLPO-UHFFFAOYSA-N 410.568 4.813 0 40 HJAB C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 4555046 WFHDXWIRBHHUKT-UPCLLVRISA-N 405.881 4.593 0 40 HJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 4849271 JKJXCLFYEJXSOR-UHFFFAOYSA-N 421.566 4.673 0 40 HJAB CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 5719122 FYXYUXAHVDNUJS-HNNXBMFYSA-N 409.511 4.926 0 40 HJAB CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3C(CC)CC)cc1 6072728 HLZIIJNVFRWBEV-IBGZPJMESA-N 403.548 4.903 0 40 HJAB O=C(COc1ccccc1Cl)N(C[C@H]1CCCO1)c1nc2ccccc2s1 6217096 BOLHAYDMWCFPMT-CQSZACIVSA-N 402.903 4.541 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(N2CCCC2=O)c1 6987653 HSXOPQPVIRRGEH-UHFFFAOYSA-N 413.836 4.822 0 40 HJAB Cc1cc(C)c(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1C 7123337 MDAOYNZPKQXGQO-UHFFFAOYSA-N 410.554 4.844 0 40 HJAB CCc1nnc2sc(-c3cccc(NC(=O)c4cccc(O[C@@H](C)CC)c4)c3)nn12 8071533 GDROTFRAWOQLKA-AWEZNQCLSA-N 421.526 4.845 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(Cc2ccccc2)o1)c1ccc2c(c1)CCCC2 8133089 ZRLYEOWPZODQMN-MRXNPFEDSA-N 407.539 4.509 0 40 HJAB COc1ccc(Br)cc1CN(C)C(=O)CCC(=O)c1cc(C)sc1C 8767589 HDMRIWVNKJISCI-UHFFFAOYSA-N 424.360 4.758 0 40 HJAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N1c2ccccc2C[C@H]1C 8965965 ZXFROJWNSCFNSS-HUUCEWRRSA-N 424.595 4.724 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1 9135409 ILWZPNZASDRCMY-UHFFFAOYSA-N 402.450 4.703 0 40 HJAB CN(C)CCN(C(=O)CSc1ccc(F)cc1)c1nc2c(Cl)cccc2s1 9343898 UNZMCOYSVBGKQB-UHFFFAOYSA-N 423.966 4.776 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 10009613 ULOKDOXAUMWZDC-UHFFFAOYSA-N 420.943 4.787 0 40 HJAB C[C@H](NC(=O)COC(=O)c1ccc(COc2ccccc2)o1)c1ccccc1Cl 10564440 BFTLTBPOXXEOGQ-HNNXBMFYSA-N 413.857 4.546 0 40 HJAB CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C 11829398 FSJZMFHXIPVHRX-UHFFFAOYSA-N 409.555 4.736 0 40 HJAB CC(C)c1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 11999180 PPZPOJOZVWRJBX-UHFFFAOYSA-N 406.935 4.646 0 40 HJAB Cc1cc(C)cc(N2C[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)c1 12414360 LHGUSGGYCMGXCW-HNNXBMFYSA-N 401.388 4.893 0 40 HJAB COc1ccc([C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)c2nccn2C)cc1 12547730 IEXZRDGHJZSDEB-NHCUHLMSSA-N 411.933 4.728 0 40 HJAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1 12914932 FTUJSOQFSHVHCT-RDTXWAMCSA-N 406.429 4.568 0 40 HJAB CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCC3)c2)cc1 13072760 PIFQZCPZOOEJKJ-UHFFFAOYSA-N 414.571 4.811 0 40 HJAB O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(OC[C@H]2CCCO2)cc1 14807252 NAHWOPCGAYVXPR-LJQANCHMSA-N 413.857 4.910 0 40 HJAB O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(Cl)c1)c1cccs1 17206978 WHXICSFTOORGNC-UHFFFAOYSA-N 416.915 4.889 0 40 HJAB CCOc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1 18209646 LZWNHSISNSUVEN-YOEHRIQHSA-N 420.391 4.787 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)on1 19452862 WNLAKIYZMSXFLK-LBPRGKRZSA-N 406.408 4.713 0 40 HJAB CC(C)c1ccc(CN2CCC[C@@H](c3cc(C(=O)NCc4ccncc4)on3)C2)cc1 19453222 SBBCKIXVVKGWTP-JOCHJYFZSA-N 418.541 4.503 0 40 HJAB Fc1ccccc1OCc1cc([C@@H]2CCN(Cc3ccnc4ccccc34)C2)n[nH]1 19704713 FTGGZQVAFOFRAQ-GOSISDBHSA-N 402.473 4.666 0 40 HJAB CCn1c(SCc2nnc(-c3ccccc3OC)o2)nnc1-c1cccc(C)c1 19927652 ZCANTQNJUGPYQW-UHFFFAOYSA-N 407.499 4.624 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c(Cl)c1 20494083 NWKFEXOYBNAULA-UHFFFAOYSA-N 400.906 4.755 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccccc2Cl)CC1 20611987 ZKVOFSTXADRUAX-UHFFFAOYSA-N 410.823 4.850 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCCC1 22521865 UXBDHEIAJOSYGS-LJQANCHMSA-N 400.906 4.762 0 40 HJAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(-n2ccnc2)cc1 27680471 NCZYJLQBDKPFQF-SFHVURJKSA-N 410.477 4.616 0 40 HJAB COc1ccc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)c(OC)c1 28230457 YKVNYFNFJYIBLI-UHFFFAOYSA-N 417.868 4.610 0 40 HJAB CSCc1nnc(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)o1 29917558 FFMCXEGYRHUVCI-UHFFFAOYSA-N 420.585 4.983 0 40 HJAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 32747562 FGBAXZREFAYHTL-GOSISDBHSA-N 421.522 4.652 0 40 HJAB Cc1cc(C)n(-c2ccccc2NC(=O)[C@H](C)Oc2ccc(Br)cc2)n1 32809945 VBPIANTULZHZDS-HNNXBMFYSA-N 414.303 4.658 0 40 HJAB CC(=O)Nc1sc(NC(=O)COc2cccc(C)c2C)nc1-c1ccc(C)cc1 35671514 VJEUYSVXGSLFMP-UHFFFAOYSA-N 409.511 4.711 0 40 HJAB Cc1ccc(-c2csc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)cnc23)cc1 38651684 ZFUNYFJVBFNWRX-UHFFFAOYSA-N 409.898 4.726 0 40 HJAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1nnc([C@@H]2CCCO2)s1 40267217 AQZPTOWBBSVAKS-IBGZPJMESA-N 404.495 4.650 0 40 HJAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2c(c1)[C@H]1CCCCC[C@H]1N2 57841228 QLELVRFKHQWRAB-YLJYHZDGSA-N 416.525 4.726 0 40 HJAB COc1nc(N2CCC[C@H]2c2cccs2)nc(N2CCC[C@@H]2c2cccs2)n1 78998644 KBRXTAJMGGQRHL-GASCZTMLSA-N 413.572 4.686 0 40 HJAB COc1ccc(CN(C)Cc2cccc(SC(=O)N(C)C)c2)cc1OC(F)F 79053315 IMSQICPXDMAPPI-UHFFFAOYSA-N 410.486 4.702 0 40 HJAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1cccc(Br)c1 79479456 NZKKRCICBRQPOQ-UHFFFAOYSA-N 410.227 4.838 0 40 HJAB Cc1nc(Cc2nc(-c3cc(C)n(NC(=O)c4ccccc4)c3C)cs2)cs1 84080246 RCDSXQSNXCHCGA-UHFFFAOYSA-N 408.552 4.968 0 40 HJAB COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)c(OC)c1 85412377 WSPHPFFTYDMEGB-IBGZPJMESA-N 401.532 4.975 0 40 HJAB CCc1ccc([C@H]2CCCCCN2C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)o1 95399682 IJLDHKKLTBJSSN-HXUWFJFHSA-N 423.488 4.593 0 40 HJAB CCCc1c(NC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)cnn1-c1ccccc1 96008941 AFCYKQFNNHRWEI-UHFFFAOYSA-N 416.525 4.660 0 40 HJAB O=C([C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N(Cc1ccncc1)Cc1cccnc1 96999879 BVCXHTLVSBVUQA-RTWAWAEBSA-N 411.427 4.828 0 40 HJAB COc1cccc(C2=C[C@@H](c3ccc(OCc4ccccc4)cc3)n3ncnc3N2)c1 101095043 PNPITHVDDPPCRZ-DEOSSOPVSA-N 410.477 4.922 0 40 HJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 219304763 QVDLLAUHSVEFJO-MRXNPFEDSA-N 413.905 4.741 0 40 HJAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 223429550 OMKWTBSWKHQLST-VXKWHMMOSA-N 406.555 4.645 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(CC)cc1 223507503 PLURCAPDLCGVMN-FQEVSTJZSA-N 424.585 4.524 0 40 HJAB CN(c1cccc(C(=O)NCCC2CCCCCC2)c1)S(=O)(=O)c1ccccc1 224256048 BLLXWORRFLSJIA-UHFFFAOYSA-N 414.571 4.602 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 224666055 LCWBTOIGFBODTB-DEOSSOPVSA-N 408.586 4.734 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 225072440 BICMOXUYMTYNDL-FQEVSTJZSA-N 418.990 4.766 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2OC(C)C)c1 225450651 YKFUYVPVDGPJIA-QNGOZBTKSA-N 404.466 4.785 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 225612633 NZSCBLYLKPQTNG-IIBYNOLFSA-N 418.940 4.744 0 40 HJAB CC[C@H](NC(=S)Nc1ccc(OC)c2ncccc12)c1ccc(OC)c(OC)c1 225721849 SSKKVONNORSEJU-INIZCTEOSA-N 411.527 4.698 0 40 HJAB S=C(NCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc(Br)cc1 225832598 DLHBAGYSLJUQQS-UHFFFAOYSA-N 423.723 4.639 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2OC(C)C)cc1 225879020 NCWYMTIWJCRDJD-QNGOZBTKSA-N 404.466 4.785 0 40 HJAB COC1CCN(c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)CC1 252501515 UGVDQOQKFHYQIM-UHFFFAOYSA-N 400.522 4.821 0 40 HJAB C[C@]12CC[C@@H]3[C@H](C(=O)C[C@@H]4C[C@](O)(C(Cl)(Cl)Cl)CC[C@@]43C)[C@@H]1CCC2=O 253617295 PRKJWXBURFOVQU-PXEUWRDFSA-N 421.792 4.879 0 40 HJAB CC(C)(C)c1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)[nH]n1 257280594 OLMDHONLYRNXDG-SFHVURJKSA-N 412.921 4.917 0 40 HJAB O=C(CSCc1c(F)cccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 408573353 CGMVRNZWMWWQLH-VMPITWQZSA-N 418.965 4.570 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 408627856 QHXCRHLULOWGNP-UHFFFAOYSA-N 406.463 4.794 0 40 HJAB O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 408707725 CYAFJHDJENAZLU-UHFFFAOYSA-N 412.411 4.592 0 40 HJAB CCOC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(C)cc2)cs1)c1ccccc1 408982701 YQOQAOWQYBRMJB-GOSISDBHSA-N 409.511 4.935 0 40 HJAB Cc1cc(Br)c(NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1C 409002100 MDHIWUUXKYECJQ-INIZCTEOSA-N 413.356 4.944 0 40 HJAB O=C(c1cc2c(Cl)cccc2[nH]1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@H]21 524731861 MUMOMJJBRFKSKD-QOKUDNMUSA-N 409.961 4.857 0 40 HJAB O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 570195455 OJUJBXFVHQZTOH-OAHLLOKOSA-N 407.857 4.519 0 40 HJAB Cc1ccc(CNc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(F)cc2)cc1 704063 YPCCUNWSLKIBTH-UHFFFAOYSA-N 412.442 4.827 0 40 HJAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccccc1 900661 UVQAVUWBYZKZSA-GHTZIAJQSA-N 420.582 4.780 0 40 HJAB COc1ccc(OC)c(C(=O)CSc2nnc3c(C)cc4c(C)ccc(C)c4n23)c1 929685 VLPYVCWDLPNMLD-UHFFFAOYSA-N 421.522 4.800 0 40 HJAB COc1ccc(CNC(=S)Nc2ccc(Br)cc2F)cc1Cl 1404014 ZHHLLJFHQQKQHO-UHFFFAOYSA-N 403.704 4.737 0 40 HJAB CCCCSc1nnc2n(C)c(=O)c3c(n12)-c1ccccc1CC31CCCCC1 1889303 ZRNUODIQZSFIJP-UHFFFAOYSA-N 408.571 4.745 0 40 HJAB biogenic Cc1ccc(Cn2c(SCC(=O)c3ccccc3)nc3ccccc3c2=O)cc1 3314682 BYTSSNPAXNPOLM-UHFFFAOYSA-N 400.503 4.728 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1Cc1ccccc1 3411673 GZOUTMPZSHNCDO-UHFFFAOYSA-N 404.495 4.626 0 40 HJAB COc1ccc(Nc2nnc(SCC(=O)Nc3cc(C)ccc3C)s2)cc1 4619632 XLZJDVMXCCIDRK-UHFFFAOYSA-N 400.529 4.638 0 40 HJAB COc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 4816746 VEGAOXVSBYYXBE-DHIUTWEWSA-N 410.477 4.668 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 4816747 VEGAOXVSBYYXBE-GOTSBHOMSA-N 410.477 4.668 0 40 HJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NC1(c2ccc(F)cc2)CCCC1 4908366 DXKGKYOLUSUXNF-UHFFFAOYSA-N 405.395 4.780 0 40 HJAB O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)NC1CCCCC1 4967223 IECRXQXZPPUULU-UHFFFAOYSA-N 406.964 4.652 0 40 HJAB O=c1c2[nH]c3ccccc3c2nc(SCc2ccccn2)n1-c1ccccc1F 5086887 DSCPIHMNFFFJRM-UHFFFAOYSA-N 402.454 4.693 0 40 HJAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OC1(CCCCC1)O2 5148336 MOFOLBMQXBAZKE-UHFFFAOYSA-N 413.495 4.620 0 40 HJAB COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)o1 5735476 YKGHJXHJDJLHPH-UHFFFAOYSA-N 405.479 4.915 0 40 HJAB O=C(Nc1ccccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6147016 AFBMVETWDQYBKG-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB Cc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c(C)c1 6233552 AKDDELAEPCKHDB-QHCPKHFHSA-N 406.507 4.923 0 40 HJAB CCN1C/C(=C\c2ccccc2OC(F)F)c2nc3ccccc3c(C(=O)O)c2C1 6561203 SFYIDGOBRTZHDC-RVDMUPIBSA-N 410.420 4.911 0 40 HJAB Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)Nc3ccc(C)cc3C)c2)c1 6681213 GPCANJRYCMIKAQ-UHFFFAOYSA-N 414.552 4.751 0 40 HJAB CCN1C(=O)/C(=C\c2cc(Cl)ccc2OC)S/C1=N/c1ccc(OC)cc1 6954373 WNZFXMWJXQFKHS-LMDBJESCSA-N 402.903 4.981 0 40 HJAB CC(C)(C)C1CCC(C(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)CC1 7155565 XTCXKUOAYSVNFM-UHFFFAOYSA-N 402.560 4.531 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1Cl 7388099 FHRBUMBSKFBEJD-UHFFFAOYSA-N 413.949 4.595 0 40 HJAB COc1ccc(CCNc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 7986563 UDHGZRHRENHYSS-UHFFFAOYSA-N 405.889 4.646 0 40 HJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(N2CCCCCC2)cc1 8169785 KAJZFYOICUUJQJ-UHFFFAOYSA-N 408.477 4.827 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)c1 8810659 QFOWHIHIGHMADC-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB COc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2F)cc1 9210304 PXTAAEDWKSIPGE-UHFFFAOYSA-N 416.452 4.831 0 40 HJAB Cc1cc(C)nc(SCc2nc3cc(NC(=O)Nc4ccccc4)ccc3n2C)n1 9421600 MGEFACJQLICRSJ-UHFFFAOYSA-N 418.526 4.916 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)c(C)c3)o2)c1 10015497 WLBKVICEFOQPOE-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB CC(=O)NCCc1ccc(C(=O)CSc2nc3ccccc3n2CCC(C)C)cc1 12525238 FGIIUKJTHRFADV-UHFFFAOYSA-N 423.582 4.736 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2Br)c(OC)c1 12783798 BWUUVLHKNBWKLD-VSRDTVRMSA-N 416.315 4.843 0 40 HJAB COc1ccc(N2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)[C@H](c4ccccc4)N3C2=O)cc1 12871882 XHEGKZPYJYUHRI-UPVQGACJSA-N 423.472 4.659 0 40 HJAB biogenic CCc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1 17091933 RNPXGZJWKADGDJ-UHFFFAOYSA-N 419.550 4.525 0 40 HJAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 18014358 ZHYLUKOHTCSMMT-GOSISDBHSA-N 408.523 4.595 0 40 HJAB Cc1cc(C)cc(C2(C(=O)N[C@H](C)Cc3cn(C)c4ccc(F)cc34)CCOCC2)c1 19662047 SKGIZDXIVLQNOS-LJQANCHMSA-N 422.544 4.730 0 40 HJAB COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3C[C@H](C)C[C@@H](C)C3)c2c1 20380883 WXAMSEBJRSWLNO-IAGOWNOFSA-N 410.539 4.559 0 40 HJAB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 20550674 HSVJCMLFGCXOCJ-BDOFJFNVSA-N 402.575 4.935 0 40 HJAB CCOCCCNc1nnc(Sc2ncnc3sc4c(c23)CC[C@H](C)C4)s1 22420285 QLPOSMWLMVBVQF-NSHDSACASA-N 421.617 4.657 0 40 HJAB CCn1c(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)nnc1-c1ccccc1OC 24638297 OEBUFJSQSTXZDH-AWEZNQCLSA-N 406.511 4.818 0 40 HJAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccncc2)cc1C 24719849 UZVBMRRDYVGSKX-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)Cc3nc4ccccc4[nH]3)cc12 29330024 SQTFNLRKJBOOND-UHFFFAOYSA-N 419.485 4.683 0 40 HJAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 29603472 OEVVWADFZKOHGG-CQSZACIVSA-N 414.889 4.822 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSCc1cc(=O)c2c(C)ccc(C)c2[nH]1 33064140 CWXIQXVNJUHWHH-UHFFFAOYSA-N 416.930 4.679 0 40 HJAB Clc1ccc(-c2noc(CSc3ccc(-c4ccc5c(c4)OCO5)nn3)n2)cc1 33262458 BRSVHKGBDHQDQM-UHFFFAOYSA-N 424.869 4.868 0 40 HJAB CCc1ccc(NC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 33326027 HEOXPTOQWMIQJC-LJQANCHMSA-N 407.539 4.941 0 40 HJAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(=O)(=O)Nc1cccc(C)c1C 33785206 ATVKTXDYSQWFSN-LJQANCHMSA-N 422.550 4.904 0 40 HJAB COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(F)cc4)sc3n2)cc1OC 35682596 CGPOHGVNKUYIDW-UHFFFAOYSA-N 408.454 4.933 0 40 HJAB COc1ccc([C@H]2CCCN2Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1 36390980 RKZNUBMKUPOYTJ-XMMPIXPASA-N 411.505 4.867 0 40 HJAB COC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38834540 PJTUCCFYYDRLND-UHFFFAOYSA-N 421.324 4.631 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1OCC 39756948 ZUJBJZUYPWLTHR-HXUWFJFHSA-N 424.585 4.882 0 40 HJAB CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)cc2C1 40011958 YEWSSJHRESCSMX-WMZOPIPTSA-N 422.598 4.962 0 40 HJAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 40140999 OXYTUKKOKVODJB-FQEVSTJZSA-N 409.574 4.585 0 40 HJAB CC(C)Oc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 44932221 QKMDPSNWJOTMLG-UHFFFAOYSA-N 400.950 4.656 0 40 HJAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1OCCc1ccccc1 48302048 VUMDIYFLNJSSES-UHFFFAOYSA-N 413.477 4.755 0 40 HJAB Cc1cc(Br)c(O)c(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c1 58391260 OEVGKIAHLLPEGM-UHFFFAOYSA-N 418.209 4.634 0 40 HJAB COc1ccc(Cn2c(SCc3cccc(F)c3)nc3ccccc3c2=O)cc1 67258832 WFPAVGXCQXVSFV-UHFFFAOYSA-N 406.482 4.885 0 40 HJAB COc1ccccc1CCCNc1cc([C@@H](C)Cn2nc(C)c(C)c2C)nc(C)n1 72373176 RKNZHTUYBOSVSR-INIZCTEOSA-N 407.562 4.764 0 40 HJAB CN1c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2C(=O)N2CCCC[C@H]21 97096707 ILRPVKKYVVCONA-SFHVURJKSA-N 404.297 4.648 0 40 HJAB CCSc1nc2n(n1)[C@H](c1cccc(OC)c1OC)C1=C(O)CC(C)(C)CC1=N2 102680488 NHTVZYCMVADLRN-QGZVFWFLSA-N 414.531 4.715 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 206658838 SZNHKARMIUZAGS-YHDSQAASSA-N 416.521 4.599 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 222628055 WQXGYVALPRGQBX-MRXNPFEDSA-N 418.990 4.764 0 40 HJAB Cc1ccc(CN(C(=O)CSCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222749652 ICSFVJDECOHGGV-LJQANCHMSA-N 412.599 4.560 0 40 HJAB Cc1ccc(CN2CCC(C(=O)NCCOc3cccc4ccccc34)CC2)cc1 223554848 HWBUGXWCBKJJNG-UHFFFAOYSA-N 402.538 4.555 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 223705477 AUEUJLBSKGYSAG-HSZRJFAPSA-N 408.586 4.611 0 40 HJAB Cc1cccc(CN2CCC(C(=O)NCCOc3ccccc3C(C)(C)C)CC2)c1 223717023 ZGGRXIFTZKLXGN-UHFFFAOYSA-N 408.586 4.700 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223921792 YDWPJGKDOTWXCP-UHFFFAOYSA-N 420.412 4.759 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2c(C)cccc2C)cc1 224009881 HUROILYAACSJTQ-ZHZULCJRSA-N 406.507 4.783 0 40 HJAB COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)ccc1Cl 225151072 PWSBLKDLNYMQGZ-UHFFFAOYSA-N 415.854 4.827 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 225200133 FHYCNVKHEGHYJM-RBUKOAKNSA-N 414.977 4.831 0 40 HJAB COc1ccc(NC(=S)NCCCSCc2ccccc2F)c2cccnc12 225613946 PPXFRFFIDHIKJP-UHFFFAOYSA-N 415.559 4.992 0 40 HJAB O=C(C[C@H](c1cccs1)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 226761152 IWTRCLAAJCNBHS-HXUWFJFHSA-N 420.534 4.613 0 40 HJAB CC1=CCC[C@H](C)[C@H]1CN1CC[C@@]2(COCc3cnc(NCc4ccccc4)nc32)C1 247867234 JLXOAABJPNYWPB-CHZKFRDHSA-N 418.585 4.555 0 40 HJAB CC(C)Cc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)n(C)n1 257285633 PIBJJPJIKJRARN-NRFANRHFSA-N 424.520 4.704 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@H]3CC=C(C)C[C@H]3C2=O)c1 408680463 HVOBCGWOMSYFRV-FCHUYYIVSA-N 416.521 4.909 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 409381204 KSBHBAISSRKGOQ-HSZRJFAPSA-N 422.506 4.705 0 40 HJAB CC(C)(C)[C@H]1C[C@H](C(F)(F)F)n2nc(C(=O)Nc3cccnc3Cl)cc2N1 1009272 MAEAIWSKYLJDKN-VXGBXAGGSA-N 401.820 4.518 0 40 HJAB CC(C)CNC(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 1013675 CFRAUZXLVPOKTF-UHFFFAOYSA-N 402.829 4.516 0 40 HJAB CC(=O)Nc1ccc(C(=O)CSc2nc(C)nc3sc4c(c23)CCCC4)cc1 1223149 JEZXWFKJDZEGCR-UHFFFAOYSA-N 411.552 4.812 0 40 HJAB Cc1ccc(-c2nc(Nc3ccccc3)s[n+]2CS(=O)(=O)c2ccccc2)cc1 1232273 HYCVODOHHKIKGO-UHFFFAOYSA-O 422.555 4.581 0 40 HJAB COc1ccc(CNCC[C@@H](c2ccc(OC)cc2)c2ccc3c(c2)OCO3)cc1 2137146 OORDNQIYWYMXPO-QHCPKHFHSA-N 405.494 4.744 0 40 HJAB biogenic COc1ccc(COC(NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1 2275380 MBBUDACZHGJNOR-UHFFFAOYSA-N 421.337 4.771 0 40 HJAB S=c1nc(NCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc2[nH]1 2932966 YGRROGONSNHNKC-UHFFFAOYSA-N 413.978 4.570 0 40 HJAB O=C1CCCC[C@@H]1Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 3308037 AYRRPVJPVUJPJF-IBGZPJMESA-N 424.591 4.989 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 3309364 APMIXNSBNYULKI-UHFFFAOYSA-N 402.661 4.759 0 40 HJAB CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccc(C(C)(C)C)cc3)N2C1=O 3636709 AIFBFOSVAYAEPS-MJGOQNOKSA-N 414.571 4.974 0 40 HJAB COc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1OC 5346956 SVYMIPGGRMKRSK-UHFFFAOYSA-N 416.271 4.637 0 40 HJAB COc1cccc(NC(=O)[C@@H](Oc2ccc(-c3nnco3)cc2)c2ccccc2)c1 5429301 QDJGSNPBFLSIMR-NRFANRHFSA-N 401.422 4.504 0 40 HJAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 6359431 UOGWYBWFMWZWMN-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB Cn1c(CC(=O)Nc2ccccc2)nnc1SCc1ccc(Cl)cc1Cl 6480031 OSRXSUUQSDOHBD-UHFFFAOYSA-N 407.326 4.595 0 40 HJAB COc1ccccc1CNc1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1 6880734 FQIGPAVAHGUIPW-UHFFFAOYSA-N 408.932 4.558 0 40 HJAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O 7882127 CLYDDFTXIJRRON-GXTWGEPZSA-N 410.823 4.907 0 40 HJAB CCOc1ccc(CCNC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1OCC 8323959 QUROWSQFVLTRSA-UHFFFAOYSA-N 419.525 4.520 0 40 HJAB Cc1ccc(C(=O)O)cc1NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 8470182 XYDUZAAZWXCWIO-UHFFFAOYSA-N 408.841 4.851 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)sc2c1CCCC2 8496901 RCDIUEAEHJUZCI-HNNXBMFYSA-N 401.528 4.826 0 40 HJAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1SCC(=O)N1CCCC1 9284340 CJGPGWVTLUPTRG-UHFFFAOYSA-N 423.563 4.777 0 40 HJAB CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(F)cc1 9645898 CAWLRDGSPFZRMV-UHFFFAOYSA-N 405.472 4.532 0 40 HJAB C[C@H](Sc1nc2c(c(=O)[nH]1)CCCC2)C(=O)Nc1ccc(Oc2ccccc2)cc1 11903531 NCHRPIARAOPEGS-HNNXBMFYSA-N 421.522 4.560 0 40 HJAB CCN(CC)C(=O)Cn1c(SCCOc2cc(C)ccc2C)nc2ccccc21 12062289 HPRRYZIANBCGLS-UHFFFAOYSA-N 411.571 4.693 0 40 HJAB COc1ccc(CNc2oc(/C=C/c3ccccc3)nc2P(=O)(OC)OC)cc1 12111480 JPWDFHXOONZNNX-SDNWHVSQSA-N 414.398 4.577 0 40 HJAB COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1OC 12196891 ONKAVSVXAXMCIG-UUOWRZLLSA-N 420.465 4.856 0 40 HJAB COc1ccc2nc(-c3ccc(C)c(NC(=O)c4cc(Cl)ccc4OC)c3)cn2n1 12441228 JXNCGUCVXXXJCC-UHFFFAOYSA-N 422.872 4.628 0 40 HJAB Cc1ccc(OCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c(C)c1 12541159 GGLILYMHGUSXNT-GOSISDBHSA-N 403.482 4.816 0 40 HJAB O=C(Nc1cccc(Br)c1)c1nccnc1-c1nc2ccccc2s1 12753530 ZGEKZFUHSKHBAR-UHFFFAOYSA-N 411.284 4.768 0 40 HJAB Cc1sc(NC(=O)CCCn2c(=O)oc3ccccc32)nc1-c1ccc(F)cc1 12808102 BFAKTZWUKSGEMY-UHFFFAOYSA-N 411.458 4.584 0 40 HJAB Cc1ccc(Cn2nc(C)c(C(=O)NCc3ccc(OC(F)(F)F)cc3)c2C)cc1 12923471 HZLUGOHMPOAURL-UHFFFAOYSA-N 417.431 4.685 0 40 HJAB CCCc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)n2)cc1 12923644 QUSUMHHDTGYMIH-UHFFFAOYSA-N 423.538 4.847 0 40 HJAB O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 13518364 UTCKMUYOZIDIJV-IBGZPJMESA-N 409.445 4.742 0 40 HJAB COCCCNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 15422407 PAQZDMAKTHDLLA-UHFFFAOYSA-N 412.342 4.528 0 40 HJAB O=C(NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccccc1 17090299 PIRRJDNMIYJYBE-UHFFFAOYSA-N 415.474 4.812 0 40 HJAB COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl 17091985 GZBCXVWWGPLIOK-UHFFFAOYSA-N 419.717 4.791 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)n1nc(C(F)(F)F)c(Br)c1C1CC1 17092896 YANHPWOAIVBODE-GARJFASQSA-N 422.289 4.892 0 40 HJAB COCCn1c(C)c(C)c2cc(NC(=O)C3(c4ccccc4F)CCOCC3)ccc21 19717456 PHANDVYNGDWBFX-UHFFFAOYSA-N 424.516 4.731 0 40 HJAB COc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3cccc(C)c3)s1)C=CO2 19809980 AEYQJYKNYUERKY-UHFFFAOYSA-N 404.491 4.979 0 40 HJAB Cc1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3cccc(Cl)c3)n2)cc1C 23138313 GOZCSXMZRKKJIP-UHFFFAOYSA-N 413.930 4.514 0 40 HJAB O=C(c1ccccc1C(F)(F)F)N1CCC(c2nnc(-c3ccco3)s2)CC1 23140815 GKZIOCNPJDJHOA-UHFFFAOYSA-N 407.417 4.837 0 40 HJAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Nc1ccc(Cc2nc3ccccc3s2)cc1 24831689 NQHBVWVLAKDBEO-HNNXBMFYSA-N 419.554 4.677 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)c4c(C)oc5nc[nH]c(=O)c45)cc3)sc2c1 25704565 WTYYYTWUBSHTCI-UHFFFAOYSA-N 416.462 4.662 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1C(=O)N1CCCCCC1 26119579 VORNAXWZQKBOOB-UHFFFAOYSA-N 418.584 4.534 0 40 HJAB Cc1cc2oc(=O)cc(CN3CCC[C@H](C(=O)Nc4ccccc4)C3)c2cc1Cl 27570115 MNVFCJNHJRJQLU-INIZCTEOSA-N 410.901 4.606 0 40 HJAB Cc1cccnc1NC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 27649768 CPKBMFXBTVLUBC-UHFFFAOYSA-N 400.434 4.636 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 27973134 VNRLWLQVTAGSBT-CQSZACIVSA-N 401.388 4.530 0 40 HJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc(Cl)cc1Cl 28189204 MMHMHRFYWBFIIF-UHFFFAOYSA-N 412.298 4.532 0 40 HJAB CCCCOc1ccccc1[C@H]1CC(O)=Nc2c1c(C)nn2-c1ccc(Cl)nn1 32103151 ZRVRGPILORRYAB-OAHLLOKOSA-N 411.893 4.927 0 40 HJAB C[C@@]1(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)Cc2ccccc2C(=O)O1 32675444 YMKFUYCWQMZJFL-AMGIVPHBSA-N 424.500 4.588 0 40 HJAB O=C(C[S@](=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)NCc1ccc(F)cc1 32801041 UYZGGJSJAMDCIY-SKCUWOTOSA-N 415.917 4.634 0 40 HJAB C[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1Br)c1cccc(Cl)c1 32932164 BYLBBPBBDGAOGQ-LLVKDONJSA-N 422.685 4.918 0 40 HJAB COc1cccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccc(C)cc3)no2)c1 33324970 XOCGDOAAICCSIA-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB CCOc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)cc1 36616111 WPAOPHWRKFQFNO-UHFFFAOYSA-N 400.482 4.747 0 40 HJAB COC(=O)[C@@H]1CC(=O)N(c2cc(-c3nc4cc(Cl)cc(Cl)c4o3)ccc2C)C1 45887769 NVEHNDWZRKDERD-GFCCVEGCSA-N 419.264 4.636 0 40 HJAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)c(C)nc12 49004070 PXBDSGXJUNWNEC-UHFFFAOYSA-N 420.538 4.694 0 40 HJAB O=C(Cn1cc(C(=O)c2ccccc2)c(=O)c2cc(Cl)ccc21)Nc1ccccc1 49421472 YCQUKRSYQJIVMX-UHFFFAOYSA-N 416.864 4.525 0 40 HJAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(Br)cc1 57333419 OQJZYVZDVMYKQP-UHFFFAOYSA-N 408.255 4.582 0 40 HJAB COc1cc2ccccc2cc1C(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 57333448 AMQMARZFJARDNM-UHFFFAOYSA-N 409.445 4.982 0 40 HJAB COc1cc(CN(C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)ccc1OC(F)F 58124573 JMFCVUQNWVNSHL-UHFFFAOYSA-N 423.843 4.997 0 40 HJAB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccc(F)cc1 59418741 ILPKQNFUMZNOCW-CAZKKTPXSA-N 403.840 4.573 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)c1cnc2scc(-c3ccc(F)cc3)n2c1=O 64787897 XCKFNOWBKQDAST-UHFFFAOYSA-N 417.824 4.607 0 40 HJAB Cc1cc(C)cc(C[C@@H](C(=O)O)[C@H](C)C(=O)Nc2ccc(C)c(Br)c2)c1 71405984 CEMHFLMOVGIPSW-MAUKXSAKSA-N 418.331 4.892 0 40 HJAB Cc1ccc(-c2noc(Cn3nc(-c4ccc(C(C)C)cc4)ccc3=O)n2)cc1C 96322874 ZLWMYKLRPTZDQH-UHFFFAOYSA-N 400.482 4.749 0 40 HJAB CCCCNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 96483873 GGIUCRJUEPQOQC-PEZBUJJGSA-N 420.534 4.856 0 40 HJAB O=C(Nc1cnn(C(F)F)c1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 96999870 QXTJQCZDWZQIKO-UHFFFAOYSA-N 403.776 4.630 0 40 HJAB CCc1ccccc1NC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 97986160 AWMRUAGDZXWIQD-HMMYKYKNSA-N 401.495 4.601 0 40 HJAB CCN(CC)C(=O)c1cnc(C(C)C)nc1[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 100205697 OEAXYFYWSSXBTI-HDICACEKSA-N 416.610 4.518 0 40 HJAB CC1=NN(c2ccccc2)[C@@H]2O[C@@]3(C)C[C@@](C)(Oc4c3c(C)nn4-c3ccccc3)[C@@H]12 101344065 IEIBUZSTLRNBJL-LSAVBLLPSA-N 414.509 4.806 0 40 HJAB Cc1ccc(C(C)C)c(OC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)c1 102531953 TZXPQXKEBGMTJM-DODAUVCRSA-N 415.489 4.649 0 40 HJAB COc1ccc(-c2csc(C3=C(O)CN(c4ccccc4F)C3=N)n2)cc1OC 102727182 YAOWHWPABFNXJO-UHFFFAOYSA-N 411.458 4.733 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@H]2C[C@H](C)CC[C@H]2C1=O 136694404 WTDHNUXLMXXUCK-BSIFCXSSSA-N 418.537 4.989 0 40 HJAB CCc1ccc(OCC(=O)NCCSCc2cccc(C)c2)c(Br)c1 218861289 KQPCQMDVFAIGEC-UHFFFAOYSA-N 422.388 4.748 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 222446537 GPRBDAHXGZOTOX-HSZRJFAPSA-N 424.585 4.631 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 222604682 UNKARAFJOLYEEU-JOCHJYFZSA-N 414.977 4.831 0 40 HJAB COc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1Cl 223017691 MEWQYRUKZWFJLY-UHFFFAOYSA-N 413.905 4.968 0 40 HJAB CC(C)c1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223122471 ORMGWTHWCCCDLP-FQEVSTJZSA-N 424.585 4.563 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223195420 ARJZGFAAWCQVFJ-GOSISDBHSA-N 400.950 4.606 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(CC)cc1 223461645 AZEZZJRGFYWRBC-FQEVSTJZSA-N 424.585 4.524 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223666212 WSYMTKDIFMJPLN-HXUWFJFHSA-N 408.586 4.779 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1C 224110833 LQBPQEHBVXQWED-LJQANCHMSA-N 422.550 4.620 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 225080954 PQZDZPZBIBJQKW-IFMALSPDSA-N 424.585 4.631 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCCC1 225175534 SWZVYIMFKPLBCR-IBGZPJMESA-N 410.533 4.543 0 40 HJAB Fc1ccc(COc2ccc(CNC(=S)Nc3ccc4c(c3)OCO4)cc2)cc1 225533772 VWBFCVSCVUQVGW-UHFFFAOYSA-N 410.470 4.620 0 40 HJAB CCCOc1ccccc1CCCNC(=S)Nc1cccc(C(=O)OCC)c1C 225625839 OEOIGZPZFZTXQF-UHFFFAOYSA-N 414.571 4.880 0 40 HJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](c1ccccc1)c1ccccc1C 225652701 ZCSSKKYZLFAYPA-OAQYLSRUSA-N 401.915 4.725 0 40 HJAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@H](C)C1 225662835 UBNRRRAXCYOQDU-GBXCKJPGSA-N 402.579 4.865 0 40 HJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)c1ccccc1C 225755895 WKWAWGFAYCFYAP-NRPPHEFGSA-N 402.494 4.935 0 40 HJAB CCc1n[nH]c(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)c1C 257277988 OAHBYLKMLZHFNY-MRXNPFEDSA-N 412.921 4.533 0 40 HJAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 408611687 QRXYKIFFIGYZGO-UHFFFAOYSA-N 400.205 4.822 0 40 HJAB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccc(OC(=O)c2c(F)cccc2F)cc1 409011605 NVFFMHZOCWMUQD-XDHOZWIPSA-N 423.346 4.668 0 40 HJAB FC(F)(F)Oc1ccccc1[C@H]1C[C@H]1c1nc(-c2ccc(N3CCCC3)cn2)no1 546503514 QBNKPPXVKGNGBR-HZPDHXFCSA-N 416.403 4.902 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Br)o1 853499 BWBVAVXQYDZOBA-UHFFFAOYSA-N 418.316 4.792 0 40 HJAB COc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)c3ccc(C)cc3)n2)cc1 929128 TWIKSTWKLSKDSY-FQEVSTJZSA-N 408.523 4.953 0 40 HJAB CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccccc1OC 2104721 MSNAJPITWAXSRH-QUURXOELSA-N 409.526 4.602 0 40 HJAB biogenic O=C(Nc1cccc(Cl)c1)N1CCN2C(=O)c3ccccc3[C@]12c1ccccc1 2304160 FQQIMKOHFSKRNY-QHCPKHFHSA-N 403.869 4.545 0 40 HJAB COc1cc2c(=O)c(C(=O)c3ccc(C)cc3)cn(Cc3ccccc3)c2cc1OC 2691212 SUMAKBLVWRBFRD-UHFFFAOYSA-N 413.473 4.606 0 40 HJAB Cc1ccc(CN2CCc3c(OCC(=O)Nc4ccc(C)cc4)cccc3C2=O)cc1 2716416 JQBZPNVGNQJIFW-UHFFFAOYSA-N 414.505 4.519 0 40 HJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)[C@H](C)[C@@H](O)c3ccccc3)cc12 3235867 SNCBQDISOXPOKY-IIBYNOLFSA-N 405.523 4.590 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1 4130398 QMSZRRBEUYSGAC-GFCCVEGCSA-N 411.552 4.750 0 40 HJAB C[C@]12C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]1ON(c1ccccc1)[C@H]2c1ccccc1 4957688 JMURSCATIIKWMK-YZUZCNPQSA-N 418.880 4.781 0 40 HJAB CC(C)c1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)O)cc1 5977302 DHFUQUAHAIIDJD-UHFFFAOYSA-N 411.310 4.942 0 40 HJAB C[C@H]1CCc2c(C(=O)OCC(=O)N3CCC(Cc4ccccc4)CC3)csc2C1 6469143 UBQSZBQMLXNDRI-KRWDZBQOSA-N 411.567 4.511 0 40 HJAB O=C(/C=C/c1ccccc1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl 6529027 YPAMGSPISNQPHQ-JLHYYAGUSA-N 402.837 4.793 0 40 HJAB CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OCC(=O)c1ccc[nH]1 6610077 OYEBWQQGHLDDIA-MRXNPFEDSA-N 402.800 4.550 0 40 HJAB CCCCOc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1 6651396 BAACNISBIOZDHM-UHFFFAOYSA-N 408.454 4.972 0 40 HJAB CC(C)n1c(SCc2nc(-c3cccc(Cl)c3)no2)nc2ccccc2c1=O 7114346 DNJDICMPQXVVNB-UHFFFAOYSA-N 412.902 4.973 0 40 HJAB CCC(=O)c1ccc(OCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)cc1 7506650 QRHAZWWLNWOEBU-JOCHJYFZSA-N 416.477 4.937 0 40 HJAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccco1 8041640 ZSJDKMKNKXRSAR-UHFFFAOYSA-N 406.482 4.525 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)CSc3nnc(C)n3C3CC3)n2)c(C)c1 8129260 ACFICLWHZLHIDF-UHFFFAOYSA-N 413.572 4.701 0 40 HJAB Cc1nc(COc2ccc(C(=O)NCCCn3ccc4ccccc43)cc2)cs1 8162516 UTEBTECDJDHZDD-UHFFFAOYSA-N 405.523 4.805 0 40 HJAB COc1ccc2c(CC(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)coc2c1 8272203 KZNHBZWOJNNNBI-HXUWFJFHSA-N 412.555 4.635 0 40 HJAB C[C@@H]1Sc2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2NC1=O 9513919 KPXITMYEUPMXIQ-BLLLJJGKSA-N 409.536 4.706 0 40 HJAB O=C(CSc1nnc(-c2ccco2)o1)N[C@H](Cc1ccccc1)c1ccccc1 9910535 QFVVFGBHVAVOQY-GOSISDBHSA-N 405.479 4.522 0 40 HJAB COc1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)ccc1OC(F)F 10898808 NXGVFGPBBFNUMG-UHFFFAOYSA-N 404.457 4.559 0 40 HJAB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 12136944 JBTDVYNAOSKZSD-OAQYLSRUSA-N 400.478 4.515 0 40 HJAB Cc1ccc(-c2nc(C)sc2CC(=O)N2CCCC[C@@H]2CN2CCCC2)c(C)c1 12238222 BZMGSNJNVBOIKX-HXUWFJFHSA-N 411.615 4.755 0 40 HJAB CCC(CC)C(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc2nccnc2c1 12322537 XQOKAGPPIVAHBU-QHCPKHFHSA-N 402.498 4.752 0 40 HJAB COC(=O)c1occc1CSc1nnc(-c2cccc(OC)c2)n1-c1ccccc1 12526989 QHTIRVSXWOSMPI-UHFFFAOYSA-N 421.478 4.615 0 40 HJAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccccc1OC(F)F 12823795 PNVFUUGGSKPSNL-UHFFFAOYSA-N 412.440 4.915 0 40 HJAB CCc1ccc([C@H](N[C@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 12909384 WKFQPRPZMMNQED-ZEQRLZLVSA-N 420.578 4.590 0 40 HJAB CC(C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)C1 13007155 ROWSYSJYWNASAV-LJQANCHMSA-N 411.571 4.522 0 40 HJAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)Nc1ccc2c(c1)OCO2 13131293 SZWUXRVBWTYTHG-UHFFFAOYSA-N 421.503 4.818 0 40 HJAB COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 14609428 LZNFVFPIWPJOCW-UHFFFAOYSA-N 404.857 4.849 0 40 HJAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)/C=C\c2ccc4c(c2)OCO4)CSC3)c1 17011029 SQIVJWFGXPZMLK-XQRVVYSFSA-N 419.506 4.617 0 40 HJAB CC(C)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1 18166946 HXZJLXOBJVKRCC-UHFFFAOYSA-N 415.537 4.746 0 40 HJAB Cc1ccc(-c2cc(C(=O)Nc3nnc([C@@H](C)Oc4ccccc4)s3)no2)cc1 19715053 GIMMAPKOGRKOHD-CQSZACIVSA-N 406.467 4.894 0 40 HJAB CCOc1ccc(/C=C/C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1OC 20151148 YAEGZTIKVMMJAO-WUXMJOGZSA-N 423.465 4.507 0 40 HJAB CCOC(=O)c1cnc2c(c(C)nn2CC)c1NCc1cccc(C(F)(F)F)c1 20219275 ZLKVRZWPJZUHFT-UHFFFAOYSA-N 406.408 4.567 0 40 HJAB CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1 20611473 VNHRIRUWCSIYJD-UHFFFAOYSA-N 417.347 4.836 0 40 HJAB O=C(Nc1nccs1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 20715713 UJPITEIDEGDKHI-IBGZPJMESA-N 409.555 4.967 0 40 HJAB Cc1cccc(-c2nn3c(=O)cc(COc4cccc(C(F)(F)F)c4)nc3s2)c1 20859094 ATTXDXWECOKRCZ-UHFFFAOYSA-N 417.412 4.724 0 40 HJAB COc1ccc(-c2nc(CSc3ccc4c(c3)OCCO4)cs2)cc1OC 23639085 DEENCKREVXPQAP-UHFFFAOYSA-N 401.509 4.891 0 40 HJAB COc1cc(C(=O)N2CCC[C@H]2c2ccccc2)ccc1OCc1c(C)noc1C 25162815 LNFGJRSPVZLHSX-NRFANRHFSA-N 406.482 4.856 0 40 HJAB O=C(CSc1ccc(F)c(F)c1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 26364636 GJHVXIKHFGPYKZ-ZDUSSCGKSA-N 420.506 4.879 0 40 HJAB CC(=O)Oc1cccc(O[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)c1 28218100 LLKLMWGGOKGSHK-NSHDSACASA-N 403.232 4.564 0 40 HJAB Cc1cccc(Cn2cc(Br)c(NC(=O)c3ccc(F)c(F)c3)n2)c1 28229057 AYFPNTAWWOFVJS-UHFFFAOYSA-N 406.230 4.533 0 40 HJAB Cc1cnc2c(S(=O)(=O)N(Cc3c(F)cccc3Cl)C3CC3)cccc2c1 29349026 URLXYMMVYUGAHS-UHFFFAOYSA-N 404.894 4.689 0 40 HJAB CCSc1nnc(SCCS(=O)(=O)c2cc(Cl)ccc2Cl)s1 29865552 GACUOEUZBJRHEB-UHFFFAOYSA-N 415.414 4.523 0 40 HJAB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1)c1ccc(C)cc1 30751038 BVSRMARHTILDRB-QFIPXVFZSA-N 422.550 4.985 0 40 HJAB Cc1csc(=O)n1CCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 32858030 TZJDFZQGBAGYEI-UHFFFAOYSA-N 401.557 4.668 0 40 HJAB O=C(Cc1cnn(-c2ccccc2)c1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 32900155 FMVGCQAHZLVSFS-DEOSSOPVSA-N 420.516 4.844 0 40 HJAB CN1C/C(=C/c2cccc(Br)c2)c2nc3ccccc3c(C(=O)O)c2C1 33888887 SXYHJHKRCVVOER-ZROIWOOFSA-N 409.283 4.682 0 40 HJAB Cc1cc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)c(C)o1 38934960 OULUBGOTEDUZKW-GOSISDBHSA-N 423.943 4.556 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073459 OOJUBUSRUXZTQW-KRWDZBQOSA-N 407.297 4.554 0 40 HJAB O=C(CCNC(=O)c1ccc(F)cc1Cl)Nc1nc(-c2ccc(F)cc2)cs1 40128883 ZRLONIOLKMKDAM-UHFFFAOYSA-N 421.856 4.500 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1F 47650989 PUEDVLPCSZUNME-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB O=C(Nc1ccc(I)cc1)c1cc(-c2cccc(Cl)c2)[nH]n1 57412612 PNGPJPCWCYQWNM-UHFFFAOYSA-N 423.641 4.587 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1Cl 58264767 MGOFZQXKHSXMRZ-SFHVURJKSA-N 417.918 4.614 0 40 HJAB CCOc1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3CC)cc1 64762067 XWXVDDMIAGWSES-UHFFFAOYSA-N 422.506 4.533 0 40 HJAB CSc1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)s1 71794639 BEVOTYZMBUHJEL-NSHDSACASA-N 423.585 4.811 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 77099925 ORLWTAOGQQBTRE-UHFFFAOYSA-N 416.525 4.587 0 40 HJAB Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCc1nc(-c2ccccc2C)no1 84247700 KFDOJCHLWWCUQV-GOSISDBHSA-N 404.514 4.980 0 40 HJAB O=C(c1ccoc1)N1N=C(C2CC2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 89885113 DUUKMDIAUSAGAZ-QGZVFWFLSA-N 409.829 4.563 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc3ncccc3c2)S1 96117645 FFMCXYCVKICOCE-QFBILLFUSA-N 408.527 4.741 0 40 HJAB C[C@@]12C[C@H](NC(=O)N1c1ccc3c(c1)OCCO3)c1cc(Cl)cc(Cl)c1O2 100890675 CACPIVVJRZXDNT-IFXJQAMLSA-N 407.253 4.534 0 40 HJAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2ccco2)C[C@H](c2ccccc2)C1 102668248 BWJXPGMHBFROEJ-SJCJKPOMSA-N 400.360 4.955 0 40 HJAB O=C(c1ccc(CN2CCCc3ccccc32)cc1)N1CCN(c2ccccc2)CC1 216475221 KZILDPDLUXYJKE-UHFFFAOYSA-N 411.549 4.602 0 40 HJAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223486805 JCWHAPPCPXFFDO-HSZRJFAPSA-N 408.586 4.513 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1 223995467 VRDPNKKWGANZIN-UHFFFAOYSA-N 416.499 4.601 0 40 HJAB Cc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)c1 224151492 LEVHGZHINRIIQA-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3CCCCC3)cc2Cl)cc1 224411485 KGCLZRROGHHGBW-UHFFFAOYSA-N 420.962 4.759 0 40 HJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccc(OC)cc1 224904599 HBMIFVJJWALOOV-NRPPHEFGSA-N 418.493 4.635 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 225207350 QWTVGBVUVJYBDK-JKSUJKDBSA-N 421.368 4.868 0 40 HJAB Cc1ccc(SCCNC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 225464053 VRIJIPQLVXRQEY-JWGURIENSA-N 420.534 4.576 0 40 HJAB COc1ccc(F)cc1-c1ccc2nc([C@H]3CCCN(Cc4ccoc4)C3)nn2c1 306134300 NIJKOVCAXMHYHE-SFHVURJKSA-N 406.461 4.517 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C(=O)NC(C)C 408606302 ORASVABHCKVNDT-UHFFFAOYSA-N 424.522 4.726 0 40 HJAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)cc(C)c1Cl 408705726 MBHYJRVRLCTTTD-MRXNPFEDSA-N 402.922 4.749 0 40 HJAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OC(C)C 409225802 LFZMAKDOLOLWDV-WOJGMQOQSA-N 414.889 4.619 0 40 HJAB COc1ccc(CCC(=O)NCCc2cn(CC(C)C)c3ccccc23)cc1OC 604405280 QKFUDORGMMIKRJ-UHFFFAOYSA-N 408.542 4.606 0 40 HJAB biogenic C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ncc(C2CCOCC2)s1 622642940 AQUOFJMRJNQYIZ-LBPRGKRZSA-N 414.449 4.753 0 40 HJAB C[C@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)/C=C/c1ccccc1)c1ccccc1 1547139783 RQUOXSVJZAAWGN-YXAXYDPKSA-N 422.569 4.791 0 40 HJAB C[C@H](Nc1ccccc1F)C(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 2037709925 JEUDTQYTIFPPIL-KRWDZBQOSA-N 419.504 4.566 0 40 HJAB CC1(C)C[C@@H]2CN(C(=O)c3cnccc3C(F)(F)F)CC[C@@H]2N1c1cccc(F)c1 2037988561 VTFBKHVAPDONGB-KUHUBIRLSA-N 421.438 4.759 0 40 HJAB CCC1=NN(C(=O)c2cccc(Cl)c2)[C@](O)(c2ccc(Br)cc2)C1 799705 WPAWQEGOUWEAES-GOSISDBHSA-N 407.695 4.560 0 40 HJAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCc1ccc(OC)c(OC)c1 953635 UMDQJXBZLOEPNB-UHFFFAOYSA-N 408.498 4.700 0 40 HJAB CCOc1cc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OC(C)=O 993535 GORRILSEDPOIHW-LZYBPNLTSA-N 420.248 4.662 0 40 HJAB COc1ccc(CSc2nc(N)c3c4c(sc3n2)CO[C@@H](C(C)C)C4)cc1 1296575 ZRXYGJPOLLOREZ-OAHLLOKOSA-N 401.557 4.672 0 40 HJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccccc1Br 3303362 CZGAZDFKVXKXQH-UHFFFAOYSA-N 424.294 4.916 0 40 HJAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@@H](C)SC2=N1 3636570 NUQVMKHNYPFRHH-BEFAXECRSA-N 414.571 4.832 0 40 HJAB N=c1oc2c3c4c(cc2cc1C(=O)Nc1ccc(F)c(Cl)c1)CCCN4CCC3 4193211 MGMZWMKWPLLRRZ-UHFFFAOYSA-N 411.864 4.656 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 4284298 JJARAYKNNFOREV-UHFFFAOYSA-N 406.463 4.938 0 40 HJAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 5042917 LLXYLCZZWJUCMQ-UHFFFAOYSA-N 401.462 4.584 0 40 HJAB Cc1cc(C)n2nc(Sc3nc(C)nc4scc(-c5cccs5)c34)nc2n1 5958337 IWVLVCHNZHOBCK-UHFFFAOYSA-N 410.553 4.934 0 40 HJAB O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(F)cc1 6046770 DGJGACHZWRHNOF-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB CCN(CC)C(=O)COc1ccc2c(=O)c(-c3ccccc3Cl)c(C)oc2c1C 6053804 LERMPAQVGGGYHR-UHFFFAOYSA-N 413.901 4.977 0 40 HJAB Cc1c(F)cccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 6418112 GHXJADMFUPEWQL-OXQOHEQNSA-N 416.493 4.571 0 40 HJAB COc1ccc(OC)c(-c2csc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c1 6628318 YNTUROSLTUIKCE-GFCCVEGCSA-N 418.902 4.887 0 40 HJAB Cc1ccc2c(CC(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)coc2c1 6838763 ZBCAALJXPLHKPX-UHFFFAOYSA-N 400.482 4.907 0 40 HJAB CCc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cn3)cs2)cc1 7722704 BBQKRRMEALANFO-LBPRGKRZSA-N 415.902 4.605 0 40 HJAB CC(=O)N[C@H](CC(=O)Nc1c(-c2cccs2)nc2cc(C)ccn12)c1ccccc1 8013129 IUQKSGWCLDGQBC-GOSISDBHSA-N 418.522 4.577 0 40 HJAB Cc1sc(CC(=O)NCc2ccccc2)nc1-c1ccc(Br)cc1 8103302 UGPQCQWLYRQKNQ-UHFFFAOYSA-N 401.329 4.740 0 40 HJAB CCc1ccc2c(CC(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)coc2c1 8390721 XOCKGMXHSVVIBC-UHFFFAOYSA-N 421.522 4.623 0 40 HJAB Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)s1 8504955 ZGBUOZLZKGQUJT-UHFFFAOYSA-N 416.494 4.586 0 40 HJAB Cc1cc(C)c(OCC(=O)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)c(C)c1 8869554 PLFJGOLAYHBSQW-NRFANRHFSA-N 401.934 4.852 0 40 HJAB Cc1cc(=O)oc2c3c(c(Cl)cc12)OCN(C1CCN(Cc2ccccc2)CC1)C3 9303323 FIJHJZKTEYBPRZ-UHFFFAOYSA-N 424.928 4.571 0 40 HJAB CC1CCN(C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2-c2ccccc2)CC1 9367800 BDAPRKQDPMMJAY-INIZCTEOSA-N 412.584 4.735 0 40 HJAB COc1ccccc1OCC(=O)Oc1cc(-c2ccc(C)cc2)c2oc(=O)sc2c1 9408846 SLRHYOMGDXITEE-UHFFFAOYSA-N 422.458 4.823 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(OCc3cscn3)cc2)c(OC)c1 9416885 NKQDBVMNYMQOOU-OAQYLSRUSA-N 424.522 4.717 0 40 HJAB COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2c(C)cccc2C)o1 9514593 JXTMDPGLPKBWDW-UHFFFAOYSA-N 420.490 4.674 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccccc1)N(c1nccs1)C3=O 10233027 VPWLOMPJJXECBW-QGZVFWFLSA-N 408.866 4.961 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccccc2)Cc2nc(C)ncc2-c2ccccn2)c1 12089196 VCHITPWGNDUBEI-UHFFFAOYSA-N 422.532 4.927 0 40 HJAB Cc1ccc([C@@H](NS(=O)(=O)c2ccccc2Br)c2cccs2)cc1 12979369 OHSIKYCYDIYMRV-GOSISDBHSA-N 422.369 4.887 0 40 HJAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccc(Cl)c1Cl 12983015 ONDSLLYXHKSJBZ-UHFFFAOYSA-N 408.310 4.692 0 40 HJAB Cc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccnc2)N2N=CNC2=N3)cc1 13213780 GXQGUAHMKPPOKP-DNQXCXABSA-N 407.477 4.503 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 14017371 FDYVVAHOCQLXID-UHFFFAOYSA-N 408.454 4.863 0 40 HJAB CCCOc1ccc(-c2nn3c(-c4cc(Cl)ccc4OC)nnc3s2)cc1 15084386 DJYHEKLLIGAQDA-UHFFFAOYSA-N 400.891 4.971 0 40 HJAB COc1ccc(OC)c(C(=O)N2CCC(c3nc(C)cc(-c4ccsc4)n3)CC2)c1 19118550 BXZICLGJFMLVGP-UHFFFAOYSA-N 423.538 4.551 0 40 HJAB CC(C)Oc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 19450622 DNRLMGSKDNJJNY-ZJSXRUAMSA-N 423.601 4.984 0 40 HJAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCN2C(=O)Cc2ccccc2F)n1 19525659 SNEIMWMGPVDRNG-HXUWFJFHSA-N 422.504 4.746 0 40 HJAB Cc1ncc(C(=O)Nc2ccccc2)c([C@H]2CCCCN2Cc2ccc(F)cc2)n1 19766932 IDMJRWWWDUTZIM-JOCHJYFZSA-N 404.489 4.904 0 40 HJAB CCOc1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1OC 20151156 UGWMZGCPHNYESU-WUXMJOGZSA-N 423.465 4.507 0 40 HJAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)cc2)C1 20458231 LVEBHYOLPDYJDP-SFHVURJKSA-N 407.558 4.699 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3n2)cc1 20610036 MHDASCWOCLALJB-YIXHJXPBSA-N 404.857 4.734 0 40 HJAB Cc1ccn2c(=O)cc(CSc3ncnc4scc(-c5ccccc5)c34)nc2c1 23561338 GVJUEECXUVRIHT-UHFFFAOYSA-N 416.531 4.967 0 40 HJAB COc1cccc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@H]2c2ccccc2)c1 28048048 JQCLMEDEJPQSOD-JOCHJYFZSA-N 406.869 4.533 0 40 HJAB O=C(CCn1cnc2ccccc21)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 29997645 WFIDWSZNRVWAAW-IBGZPJMESA-N 414.534 4.918 0 40 HJAB COc1ccccc1C(=O)Nc1ccccc1NC(=O)NCCCc1ccccc1 38488593 NRIYJYVTSNYTRH-UHFFFAOYSA-N 403.482 4.702 0 40 HJAB CCN(CC)C(=O)COc1ccc(NC(=S)Nc2cccc(C)c2)cc1Cl 40073253 AIFVNJHJWUTLHF-UHFFFAOYSA-N 405.951 4.705 0 40 HJAB Cc1sc(=O)n(CC(=O)Nc2cc(Cl)ccc2Cl)c1-c1ccc(F)cc1 40128155 LGJYMHMCCVQAJR-UHFFFAOYSA-N 411.285 4.970 0 40 HJAB CC[C@H](C)c1ccc(NC(=O)COc2ccc(I)cc2)cc1 40159236 WYQNGPRQFGKBSB-ZDUSSCGKSA-N 409.267 4.822 0 40 HJAB O=C(c1cc2sccc2n1Cc1ccccc1F)N1CCN(c2ccccc2)CC1 44901157 LDCISDYFIHYSAO-UHFFFAOYSA-N 419.525 4.853 0 40 HJAB Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccc(OC(F)(F)F)cc4)C3)o2)cc1 49169886 GOSJBPRUNRYIKR-KRWDZBQOSA-N 403.404 4.933 0 40 HJAB biogenic,in-vitro CC[C@@H](C)n1c(SCC(=O)Nc2ccc(Cl)cc2)nc2ccsc2c1=O 67335232 QGQTVOKZNLMMSD-LLVKDONJSA-N 407.948 4.813 0 40 HJAB O=C(NCc1ccc(Cl)cc1)NCC1CCN(c2nc3ccccc3s2)CC1 70931921 PGDOYNZSZKHZLJ-UHFFFAOYSA-N 414.962 4.666 0 40 HJAB Cn1ccc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)n1 72349920 XDXFNMIZQRDGNV-MRXNPFEDSA-N 414.431 4.521 0 40 HJAB Clc1ccc2[nH]c([C@@H]3CCCN3c3nc(-c4ccccn4)nc4c3CCC4)nc2c1 79061778 PRMRDTBDRZSMQG-FQEVSTJZSA-N 416.916 4.899 0 40 HJAB O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1CCC(c2ccc(O)cc2)CC1 95369411 FCJXECYWQRKTAK-UHFFFAOYSA-N 404.388 4.792 0 40 HJAB O=C(Nc1cccc(C2SCCS2)c1)C(=O)N1CCC[C@H]1c1cccs1 95954002 RXCXAAXGBBHUCB-HNNXBMFYSA-N 404.582 4.529 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3ccccc3-c3nc(C(C)C)no3)no2)cc1 96346760 LJNLTAUEXZMLPP-UHFFFAOYSA-N 404.426 4.776 0 40 HJAB Cc1noc(-c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)c(Cl)c2)n1 97109227 POAJSPNAQUBWMC-UHFFFAOYSA-N 424.718 4.868 0 40 HJAB COc1ccc(NC(=O)c2ccc(NCC3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1 97164976 MYUFPZKDWSLFPK-UHFFFAOYSA-N 423.557 4.644 0 40 HJAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COc2ccccc2C(=O)Nc2ccccc2)C1 102283490 DLVVALJLGBFNLI-UQBPGWFLSA-N 406.526 4.745 0 40 HJAB 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O=S(=O)(NC[C@H](c1ccccc1)N1CCCCCCC1)c1ccc(Cl)s1 6561513 SGBYJXZSNJSREI-QGZVFWFLSA-N 413.008 4.687 0 40 HJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)c(OC)c1 6642064 OPSSSWJBIKGPHY-SUXVVSLQSA-N 421.537 4.612 0 40 HJAB CC(=O)c1ccc(OCCCC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 7779222 XGOSKFHPEWMESB-UHFFFAOYSA-N 423.509 4.748 0 40 HJAB Clc1ccc(-c2nnc(SCCOc3ccccc3)n2C[C@@H]2CCCO2)cc1 7779957 BQEYNFGIHXLSSJ-IBGZPJMESA-N 415.946 4.949 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc(C)c1Cl 8335982 CCDIGDUTWCSSHZ-UHFFFAOYSA-N 411.933 4.915 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8393760 WHJISASOWATTHJ-HXUWFJFHSA-N 404.466 4.631 0 40 HJAB O=C(NCCSCc1cccc(Cl)c1)C1CCN(Cc2ccc(F)cc2)CC1 9063575 AMKFQGSHSQJJQH-UHFFFAOYSA-N 420.981 4.741 0 40 HJAB O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 9287753 MCSJHWDZCADJAM-UHFFFAOYSA-N 422.893 4.871 0 40 HJAB O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)Nc1ccncc1 9423487 LNMNZKUSLGPKKM-UHFFFAOYSA-N 406.825 4.526 0 40 HJAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3ccc(SC)cc3)n2)c1 10252343 PYSBMNRTYDUXTR-UHFFFAOYSA-N 400.525 4.730 0 40 HJAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(C)c(C)c1 11118900 PWVITJWIFZWBFI-UHFFFAOYSA-N 420.534 4.680 0 40 HJAB c1ccc(CN2CC[C@@H](NCc3ccc4c(c3)OCO4)[C@@H](c3ccccc3)C2)cc1 12113171 KXBHLDGIMNJBAC-DNQXCXABSA-N 400.522 4.563 0 40 HJAB Cc1cccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nnc2-c2ccccc2)c1 12350032 FBFBIPMNLILKBO-UHFFFAOYSA-N 408.571 4.980 0 40 HJAB Cc1nc2cc(C(=O)Nc3ccccc3N3CCCC3=O)ccc2n1-c1ccccc1 12507099 ZDSAHFDWJYDHPO-UHFFFAOYSA-N 410.477 4.713 0 40 HJAB C[C@@H]1CCc2c(sc3nc(CCN(C)Cc4c(F)cccc4Cl)nc(N)c23)C1 12514514 WMCDYUANHQXNRJ-GFCCVEGCSA-N 418.969 4.865 0 40 HJAB COc1cccc(-n2ccnc2S[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1 12520098 GJONLSUCYIHBIO-HXUWFJFHSA-N 420.494 4.649 0 40 HJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c1C 12569419 POCSHNDSJVERDI-UHFFFAOYSA-N 416.399 4.920 0 40 HJAB Cc1c(Sc2ccccc2C(=O)OCC(=O)C(C)(C)C)c(=O)[nH]c2ccccc12 12978224 OHAOJDWSYARMIZ-UHFFFAOYSA-N 409.507 4.760 0 40 HJAB Cc1sc(NC(=O)c2cccc(N3CCCC3=O)c2)nc1-c1ccc(F)c(F)c1 12997491 YMBNRZFPPSENFY-UHFFFAOYSA-N 413.449 4.776 0 40 HJAB O=C(O)CCC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 13302735 UIZUUVXQIBFHTF-XTRLOZDISA-N 424.447 4.953 0 40 HJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 13685564 FLCLUWCXYACMTC-OAHLLOKOSA-N 400.906 4.809 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)O)cc1Cl 16312729 KQKOUQQWTUKBNY-UHFFFAOYSA-N 417.701 4.780 0 40 HJAB COC(=O)/C(=C/c1ccc(/C=C(\C(=O)O)c2ccc(OC)cc2)o1)c1ccccc1 17175753 RCJZGELYXLOSJG-BILXGNRESA-N 404.418 4.627 0 40 HJAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nnc(-c2ccc[nH]2)o1 18367547 HAVLYXXOFLPHNU-UHFFFAOYSA-N 403.460 4.888 0 40 HJAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 19666698 GTICQRUEFPDOQY-IBGZPJMESA-N 411.889 4.520 0 40 HJAB O=c1c2cnc(N3CCc4ccccc4C3)nc2ccn1-c1cccc(Cl)c1Cl 19959046 DQPCNFTVCNFAOJ-UHFFFAOYSA-N 423.303 4.650 0 40 HJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccc(C(C)C)cc1 20798498 QZGCZIANXBCSJM-NRFANRHFSA-N 420.509 4.639 0 40 HJAB CCc1ccc(N2C[C@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCCC3)cc1 22408546 VDCFQHKTYQYNKH-QHCPKHFHSA-N 401.477 4.501 0 40 HJAB Cc1c(C(=O)NCCCOC2CCCCC2)cnn1-c1cccc(C(F)(F)F)c1 22991357 JFQJADXULBODGP-UHFFFAOYSA-N 409.452 4.669 0 40 HJAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(OCc2cn3ccccc3n2)c1 23387885 UPUCPYPCUGMNMY-IAGOWNOFSA-N 417.431 4.764 0 40 HJAB O=C(CSCc1ccc(F)cc1)Nc1nnc(SCc2ccccc2)s1 23684390 OXVWUEPULNKMFU-UHFFFAOYSA-N 405.545 4.841 0 40 HJAB Cc1cc2occ(CC(=O)N(C)Cc3ccccc3N3CCOCC3)c2cc1C(C)C 24191383 PGQLBJQIHDODGS-UHFFFAOYSA-N 420.553 4.902 0 40 HJAB COc1ccccc1CNC(=O)c1ccc(COc2ccccc2Br)o1 27971895 PFUNGQSJMOZPPX-UHFFFAOYSA-N 416.271 4.560 0 40 HJAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1C(=O)c1ccc(F)cc1 29870126 NYKMJXDJDXBTPV-QFIPXVFZSA-N 420.484 4.607 0 40 HJAB Cc1ccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1Cl 30955236 HFPZXBVGHYPOMF-UHFFFAOYSA-N 410.905 4.549 0 40 HJAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cc(F)cc2cccnc12 32825193 WUBRCSXAYRZBNX-UHFFFAOYSA-N 416.294 4.515 0 40 HJAB CCOc1cc(CO)cc(Br)c1OCc1ccc(Br)cc1 36825174 YSPFLQGZMRLAJU-UHFFFAOYSA-N 416.109 4.682 0 40 HJAB COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c(OC)c1 38834640 PHOVDCAFAGKZSO-OAHLLOKOSA-N 423.340 4.861 0 40 HJAB CCC1(CC)Nn2c(nnc2-c2ccccc2)S[C@H]1C(=O)Nc1ccc(C)cc1C 39370841 SDEQCCYTGOEOLV-IBGZPJMESA-N 421.570 4.777 0 40 HJAB COc1cc(Cl)c(NC(=O)c2cc3ccc(Br)cc3[nH]2)cc1OC 40062296 GMUMCHDWWJZZHQ-UHFFFAOYSA-N 409.667 4.853 0 40 HJAB Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1NS(=O)(=O)c1ccccc1 40108859 YXFJPWLFFVPEIF-UHFFFAOYSA-N 424.566 4.951 0 40 HJAB CC[C@@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)c1ccc(OC)c(OC)c1 44856868 LPDGMLACXOFFCI-JOCHJYFZSA-N 410.558 4.961 0 40 HJAB CCOc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 44912624 JMHSHXLTIMGPCG-UHFFFAOYSA-N 421.368 4.921 0 40 HJAB CCN(CC)Cc1ccc(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)o1 48299941 AGTHXGKYOPQBMG-GOSISDBHSA-N 419.525 4.865 0 40 HJAB O=C(c1cccs1)N1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 52817452 RNWAIXXXBJNRPA-UHFFFAOYSA-N 418.562 4.829 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(C)c3)CC2=O)cc1Cl 59227214 RIWFOYNJIYHBFZ-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB O=C(CSC(F)(F)F)Nc1c(-c2ccc(F)cc2)ncn1Cc1ccccc1 60279208 NSTFVRGJZWPRKF-UHFFFAOYSA-N 409.408 4.929 0 40 HJAB Cc1cc(NC(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)n(C)n1 65578678 JXCYEVAZIXIJKY-UHFFFAOYSA-N 405.340 4.558 0 40 HJAB COc1cc(OC)c(OC)cc1CNC(=O)CCCc1ccc(Cl)c(Cl)c1 71945521 QVRDPOSJNCIHPP-UHFFFAOYSA-N 412.313 4.658 0 40 HJAB C[C@@H](NC(=O)C(C)(C)[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccccn1 95451135 BYDAIOVNWBDQOR-JPYJTQIMSA-N 404.510 4.598 0 40 HJAB COc1cccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c1OC 102740696 LKOILKYLAUZILG-ZMZPIMSZSA-N 424.482 4.777 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2 218925912 FBUBUTKDFHDTSP-GOSISDBHSA-N 403.906 4.763 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 222649556 MOKVJODQXBYXIR-OAQYLSRUSA-N 418.940 4.744 0 40 HJAB CC(C)c1ccccc1OCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C 222672773 LMKOHXHXZLFIRB-LJQANCHMSA-N 410.558 4.521 0 40 HJAB CC(C)c1ccccc1OCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C 223130801 SVUXOFFWNZCJTN-FQEVSTJZSA-N 424.585 4.563 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Oc2cccc3c2CCCC3)CC1 223567158 NJHQGYPKECPGPE-SFHVURJKSA-N 412.961 4.643 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@H](C)C(=O)NC2CCCC2)c1 223805344 MJKOFKDLTJXJJY-OAQYLSRUSA-N 406.570 4.630 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)cc(C)c1 224031577 VHWQUOMAFOLSNM-XMMPIXPASA-N 424.585 4.578 0 40 HJAB CC[C@@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1C 224046418 CRJDVTGVQFXOJG-JOCHJYFZSA-N 422.550 4.985 0 40 HJAB Cc1cc(C)cc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)c1 224288465 QJYFVWMUJRWJPV-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1C1CCCC1 225005749 PNLWHDJCRJDSIX-HOTGVXAUSA-N 408.390 4.821 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1nccs1 225008063 RUKQKPVXGXBVQT-WOJBJXKFSA-N 423.611 4.861 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 225192576 QOSALOJLIOGBRC-HSZRJFAPSA-N 424.585 4.831 0 40 HJAB CCOc1c(I)cc(CNc2ccc(C)c(C)c2)cc1OC 409118561 RGBVRVMFXJJHJB-UHFFFAOYSA-N 411.283 4.927 0 40 HJAB CCS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccc(F)c3ccccc23)cc1 564009445 MUZCTULKASKTRX-INIZCTEOSA-N 413.514 4.583 0 40 HJAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(Cl)cc(Cl)c2)nn1 1775976225 WJIVOMGWRMAAPW-SJPCQFCGSA-N 407.345 4.891 0 40 HJAB O=C(Nc1cccc(O)c1)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F 866034 WFFOLPFLWDPYPC-SJORKVTESA-N 420.366 4.640 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NC1CCCCC1 887608 SJUNJDPGBPQUQU-UHFFFAOYSA-N 404.539 4.747 0 40 HJAB Cc1cc(C)nc(SCc2nc3ccccc3c(=O)n2-c2ccccc2Cl)n1 1005486 XJKYUVJBHHMYHK-UHFFFAOYSA-N 408.914 4.738 0 40 HJAB CCOC(=O)c1c(NC(=O)Nc2ccc(OC)cc2)sc2c1C[C@H](C(C)C)OC2 1246521 PBQBWKFGTYUJTE-MRXNPFEDSA-N 418.515 4.675 0 40 HJAB COc1ccc(NC(=O)N(Cc2ccco2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 1352810 HNOIFMSPQSNDAX-UHFFFAOYSA-N 417.465 4.672 0 40 HJAB CC(C)(C)Nc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cs1 1354325 NXCYXMQPAKXOQU-UHFFFAOYSA-N 413.568 4.772 0 40 HJAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc2c(c1)OCO2 1586163 XDVCFYMESVMKLU-UHFFFAOYSA-N 404.344 4.903 0 40 HJAB Cc1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1 2372455 SJQUYURPIXSADO-UHFFFAOYSA-N 418.522 4.660 0 40 HJAB CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2431762 GZUCGLBYQLLTOL-AVRDEDQJSA-N 403.478 4.641 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 2447293 NLAQWEFHOAHYKO-UHFFFAOYSA-N 424.570 4.909 0 40 HJAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1cc(Cl)ccc1Cl 3316881 JOZXCLSDSVLLOV-UHFFFAOYSA-N 409.294 4.718 0 40 HJAB CCOC(=O)c1cc(NCc2cccc(Cl)c2Cl)ccc1N1CCOCC1 4705482 QCICFIFPLURIFA-UHFFFAOYSA-N 409.313 4.619 0 40 HJAB CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(Br)c2)cc1 4746964 UXTJPWIVVPYLAW-LBPRGKRZSA-N 407.333 4.753 0 40 HJAB CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)Nc1ccccc1 4932144 ORJQUPACCCFEKL-UHFFFAOYSA-N 419.456 4.775 0 40 HJAB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](/C(Br)=C/c2ccccc2)N3)C1 4947795 GIHBWWLOIRVEPK-ZBQIACEPSA-N 403.345 4.790 0 40 HJAB Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(C3CCCCC3)C2=O)cc1 5274949 OWYAIUAYNACGDO-OAQYLSRUSA-N 423.488 4.633 0 40 HJAB Cc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)cc1C 5305502 KLVNSLCOODFIPB-UHFFFAOYSA-N 417.896 4.967 0 40 HJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccccc1OC(F)F 5585653 VNDCGFWBMOOJHE-SFHVURJKSA-N 418.465 4.561 0 40 HJAB Cc1ccc(C(=O)N/C(=C\C=C/c2ccccc2)C(=O)NCCc2ccccc2)cc1 6190176 QYKIYNDXLNMIBL-HAAJAYEISA-N 410.517 4.681 0 40 HJAB COc1ccc(OCCn2cc(C(=O)COc3ccccc3)c3ccccc32)cc1 6230493 UOXIDLYEBHEHQN-UHFFFAOYSA-N 401.462 4.991 0 40 HJAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 6571128 LPAMWOMFYWGENP-WBVHZDCISA-N 412.584 4.783 0 40 HJAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)CC)cc3n2)cc1 6636005 ZIPMKHRDBOYPPI-UHFFFAOYSA-N 415.950 4.640 0 40 HJAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1Cl 6882156 YZQHZOWQEUHELX-QGZVFWFLSA-N 407.297 4.540 0 40 HJAB C[C@H](NC(=O)Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S)c1ccccc1 8221583 PLLPBEZNBMBSOO-INIZCTEOSA-N 423.538 4.541 0 40 HJAB CCC(=O)N(c1nnc(SCC(=O)c2sc3ccccc3c2C)s1)C1CC1 8395795 CWAIPKAMJZWVCT-UHFFFAOYSA-N 417.581 4.942 0 40 HJAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CCSc1ccc(F)cc1 9154286 UJLURRLNNGZNSZ-DEOSSOPVSA-N 420.509 4.608 0 40 HJAB COCc1c(C(=O)NCc2ccccc2CN2CCCC2)sc2cccc(F)c12 9449122 CZVNWPTVUGSOGH-UHFFFAOYSA-N 412.530 4.713 0 40 HJAB O=C(CCc1nc(-c2cccs2)no1)N1CCC(c2nc3ccccc3s2)CC1 9783280 ZPFRSDUWBARIBR-UHFFFAOYSA-N 424.551 4.747 0 40 HJAB C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)N/N=C/c1ccc(Cl)s1 11079376 FTLBOQGQAPADIW-JMKVTYIUSA-N 412.898 4.550 0 40 HJAB O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCC(C(=O)N2CCCCCC2)CC1 12569281 ZTNWRDYIWWZUFX-UHFFFAOYSA-N 414.933 4.855 0 40 HJAB Cc1ccc(N2C(=O)/C(=C/Nc3ccccc3C(=O)O)c3ccccc3C2=O)c(C)c1 12651916 ZWBXAJAMCPOEOB-XSFVSMFZSA-N 412.445 4.642 0 40 HJAB CCOc1ncccc1C(=O)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 12783770 WOGQGLSUXSZHMP-JXMROGBWSA-N 416.477 4.612 0 40 HJAB Cc1ccccc1CN1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 12980819 RLXZABJAQJSBMG-UHFFFAOYSA-N 409.530 4.524 0 40 HJAB C[C@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)Nc1ccc(C(N)=O)cc1 14200708 PVFQERCAFNEFNV-KRWDZBQOSA-N 402.494 4.517 0 40 HJAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1OC 14878224 KWSHEENZPFBYIF-UHFFFAOYSA-N 422.268 4.632 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(C)o3)ccc2C)c(C)c1 15981809 FOKYWQJCHKVJNN-ZRDIBKRKSA-N 424.522 4.966 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N(c2ccccc2)C(C)C)c1 16186831 KETCKBTYNDZJTH-UHFFFAOYSA-N 419.616 4.637 0 40 HJAB Cc1cc(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc23)c(C)cc1Cl 16780464 REXAUEDYZSYAFM-UHFFFAOYSA-N 412.942 4.756 0 40 HJAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cccc(Cl)c2)c2cccs2)cc1 17043389 BEAJXUMUXWSSJA-LJQANCHMSA-N 419.955 4.655 0 40 HJAB C[C@H]1CCc2c(sc(NC(=O)c3cccc(OCc4ccccc4)c3)c2C(N)=O)C1 17092362 FKKKHYQSOJZNSQ-HNNXBMFYSA-N 420.534 4.803 0 40 HJAB O=C(Cc1ccccc1)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 17092522 IZVKGZAFTJTDNJ-UHFFFAOYSA-N 420.925 4.939 0 40 HJAB CCOc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C)c(C)o2)cc1 17314941 GSLJIISJKQDNAU-UHFFFAOYSA-N 407.495 4.588 0 40 HJAB c1ccc(-n2nnnc2CSc2nc(-c3cccs3)nc3ccccc23)cc1 17663176 RRUNOCAKGRNLBD-UHFFFAOYSA-N 402.508 4.626 0 40 HJAB O=C(C1CC1)N1CCCC[C@@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 19344156 FULFAEIIOLBDAR-OAHLLOKOSA-N 420.460 4.940 0 40 HJAB COc1ccc(CN(Cc2cnc(-c3ccc(C)cc3)nc2)C2CCN(C)CC2)cc1 19662932 PKUUGEMUAMJZAE-UHFFFAOYSA-N 416.569 4.557 0 40 HJAB Cc1nn(-c2ccccc2)c2nc(C3CCN(C(=O)[C@H]4CC45CCC5)CC3)ccc12 19744641 RPERGYVLXHHNQA-OAQYLSRUSA-N 400.526 4.625 0 40 HJAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)[C@@H]3COc4ccccc4O3)c2)cc1 20110317 BXDWFNAHLQYJBU-QHCPKHFHSA-N 415.489 4.994 0 40 HJAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccc(Br)cc1 20728998 WBNVIHHAPTXUNP-UHFFFAOYSA-N 410.227 4.610 0 40 HJAB COc1ccc(CCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1OC 21248641 LFPYHLXKAUPJNA-UHFFFAOYSA-N 414.354 4.603 0 40 HJAB O=C(c1ccccc1SCc1cccs1)N1CCN(c2ccccc2O)CC1 21873666 SMXIWWYGZNIVDA-UHFFFAOYSA-N 410.564 4.708 0 40 HJAB Cc1noc(C)c1CSc1ccccc1C(=O)NCc1cnn(-c2ccccc2)c1 24987051 AEDJUTTVKMARQF-UHFFFAOYSA-N 418.522 4.699 0 40 HJAB Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc3cccnc23)cc1Cl 25754949 BHCWYHCGBHWUMX-UHFFFAOYSA-N 409.902 4.508 0 40 HJAB C[C@@H](c1nnc(Sc2ncnc3ccsc23)n1-c1ccc(Cl)cc1)N(C)C 29001765 VAYVJWOQDDWRJR-NSHDSACASA-N 416.963 4.699 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 30394234 GRDNGTWAGXOZAD-XQTRSNPVSA-N 400.563 4.690 0 40 HJAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1 32089457 MZQHGDZDIUOQBO-KRWDZBQOSA-N 410.861 4.692 0 40 HJAB CCN1CCN(c2ccc(N[C@@H](C)C(=O)Nc3cc(Cl)ccc3C)c(C)c2)CC1 32772074 MRMCRDLQPAYACH-SFHVURJKSA-N 414.981 4.538 0 40 HJAB CCCCc1ccc(NC(=O)CC[C@H]2N=C(O)N([C@H](C)c3ccccc3)C2=O)cc1 36594148 ITUPIAQLBSKHCA-DYESRHJHSA-N 407.514 4.634 0 40 HJAB COc1ccc(OC)c(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 38834779 XQQRHVXWEXUYDJ-UHFFFAOYSA-N 423.340 4.861 0 40 HJAB Cc1nc2nc3ccn([C@@H]4CCC[C@H](C)[C@@H]4C)c(=O)c3c(-c3ccc(F)cc3)n2n1 40398551 GQUFVIMCKZPHRD-CKFHNAJUSA-N 405.477 4.551 0 40 HJAB O=c1cc(CNc2ccccc2Oc2ncc(Cl)cc2Cl)nc2sccn12 42740941 SFXSKCPVHBFGEV-UHFFFAOYSA-N 419.293 4.862 0 40 HJAB Cc1nc(CSc2ccccc2C(=O)N[C@H]2CCSc3ccc(F)cc32)no1 43670902 VHMNAOZFIBBCJQ-INIZCTEOSA-N 415.515 4.776 0 40 HJAB CCN(C(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)c1ccccc1 57487234 DUACVSJGXOLTQK-UHFFFAOYSA-N 406.873 4.912 0 40 HJAB CC(C)c1noc(-c2ccc(NC(=O)NC3CCN(Cc4ccccc4)CC3)cc2)n1 58393774 MRJBKIKRFPZVSG-UHFFFAOYSA-N 419.529 4.646 0 40 HJAB Cc1nc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2CC(C)C)sc1C 72191718 YTFGOYULOVUVEW-UHFFFAOYSA-N 419.551 4.544 0 40 HJAB Fc1ccccc1-c1nnc2ccc(NCc3ccccc3OC3CCCC3)nn12 84505924 JJKWWWBICAIGJK-UHFFFAOYSA-N 403.461 4.864 0 40 HJAB C[C@@H](C(=O)Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1)c1ccccc1 95470986 IJFFWVRITOIZDP-OAHLLOKOSA-N 418.880 4.878 0 40 HJAB Cc1cccc(OC2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)n1 96119509 PKVYAZWGFMEUMQ-UHFFFAOYSA-N 400.478 4.698 0 40 HJAB CC(C)c1sc(Cl)nc1C(=O)N1CCC(c2nc3ccccc3n2C)CC1 96231565 HNJREAXBVMYOMQ-UHFFFAOYSA-N 402.951 4.826 0 40 HJAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 102726101 YYRMEMFAUXXGHP-PCCBWWKXSA-N 422.843 4.530 0 40 HJAB CC(=O)N(c1cccc(Cl)c1)c1nc(CN2CCC[C@H]2[C@H]2CCCN2C)cs1 107537551 UVPMWWOTYHEZMV-UXHICEINSA-N 418.994 4.540 0 40 HJAB Cc1ccc(-c2csc3ncnc(OCC(=O)N[C@@H](C)[C@@H]4C[C@H]5CC[C@H]4C5)c23)cc1 108837846 FTDWRQXZJBSTKC-CAMMJAKZSA-N 421.566 4.986 0 40 HJAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 219052250 JQQQYRPTBIJMJL-SFHVURJKSA-N 404.510 4.719 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 222673995 PTPVQSLFBJARTK-HNNXBMFYSA-N 421.368 4.868 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1ccncc1 222908168 CVCNYHKNGDTGFK-GOTSBHOMSA-N 419.598 4.572 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 224076485 SEKFYLLCSOBWOB-QGZVFWFLSA-N 418.990 4.622 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 224140652 JPTVZVFDLABYRV-DEOSSOPVSA-N 422.569 4.712 0 40 HJAB Cc1ccc(SCCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)cc1 224646585 JZYPJQZVJQGDHV-SFHVURJKSA-N 416.562 4.558 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 224703453 FURALFGHJCGCDY-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 224814451 PJCSLPGPFXAERF-QGZVFWFLSA-N 418.990 4.766 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC1CCCCC1 225175578 SWZVYIMFKPLBCR-LJQANCHMSA-N 410.533 4.543 0 40 HJAB Cc1ccc(CNC(=S)Nc2nc(N3CCC[C@@H](C)C3)cc(C(F)(F)F)n2)cc1 225946250 UBUUBGHOULDBHZ-CQSZACIVSA-N 423.508 4.527 0 40 HJAB C[C@H](NC(=O)C1CCC(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1)[C@H]1C[C@H]2CC[C@H]1C2 245237294 IOGFZBPTYATEIP-VZAVAXSASA-N 414.634 4.675 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)Cc3ccccc3C)CC2)on1 257199849 ABAHGSRBMCDBHS-MXVIHJGJSA-N 418.541 4.690 0 40 HJAB CC(=O)Nc1ccc(CN2CCC(c3cccc(Nc4ccccn4)n3)CC2)cc1 257214212 CLCFNJWZRJSIPZ-UHFFFAOYSA-N 401.514 4.558 0 40 HJAB CC(C)CC(=O)N1CCC(Cc2ccccc2-c2cccs2)(C(=O)N(C)C)CC1 257261002 LFJJCMNUIPOYLH-UHFFFAOYSA-N 412.599 4.701 0 40 HJAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cc(Cl)ccc4C)cc3)C(=O)[C@H]2C1 408685175 QGRKKUHHYHXPNF-MOPGFXCFSA-N 408.885 4.746 0 40 HJAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c[nH]c12 409131771 WVCLJKQRYLVILM-ZDLGFXPLSA-N 423.469 4.544 0 40 HJAB O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc(-n2cnc3ccccc32)cc1 556382407 ZYZZCUVCMMFYNC-UHFFFAOYSA-N 407.433 4.860 0 40 HJAB Cc1ccc2c(C)c(C(=O)N(C)[C@@H]3CCC[C@@H](Oc4cccc(F)c4)[C@@H]3O)oc2c1 585272446 LIDBZFITZKMKRV-KCZVDYSFSA-N 411.473 4.622 0 40 HJAB COc1ccc(-c2cccc(C(=O)Nc3ccc(N4CCC(O)CC4)cc3)c2C)cc1 643551973 WXDPMZSQQSKBEN-UHFFFAOYSA-N 416.521 4.884 0 40 HJAB CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1cc(-c2cc(OC)ccc2Cl)no1 1526628362 VJVLAHNODYOADL-OALUTQOASA-N 406.910 4.669 0 40 HJAB CC1(C)CC[C@@H](NC(=O)Cn2cc(C=O)c(-c3ccccc3)n2)[C@@H](c2ccccc2)C1 1558059886 KLTXNQADPZGFGG-DHIUTWEWSA-N 415.537 4.841 0 40 HJAB CCOc1ccc(NC(=O)COc2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1 952103 RDAQSPOPNXTCDW-UHFFFAOYSA-N 418.493 4.972 0 40 HJAB O=C(Oc1ccc(I)cc1)c1cc(Cl)nc2ccccc12 991895 VTRHBIZFBIEKBV-UHFFFAOYSA-N 409.610 4.712 0 40 HJAB COc1ccc(-c2nnc(N(C(=O)CCc3ccccc3OC)C(C)C)s2)cc1 1345530 RYRLPVKKKGBDJE-UHFFFAOYSA-N 411.527 4.597 0 40 HJAB COc1ccc(-c2nnc3sc(COc4ccc(Cl)cc4Cl)nn23)cc1 2220014 VDRVHBCNIDWGKR-UHFFFAOYSA-N 407.282 4.747 0 40 HJAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)nc2ccccc12 2646366 MOUHSNMEOCXWKB-OAHLLOKOSA-N 416.433 4.687 0 40 HJAB CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccccc2C)C[S@@](=O)C3)CC1 4105947 LUSZPVWFGPWQAK-YWCBUYMOSA-N 413.587 4.878 0 40 HJAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 4244393 KDMDQOFNNSFQLI-QGZVFWFLSA-N 424.545 4.626 0 40 HJAB CN(CCCN1c2ccccc2CCc2ccccc21)S(=O)(=O)c1ccc(F)cc1 4707200 PKZYKJKYCOBCDC-UHFFFAOYSA-N 424.541 4.773 0 40 HJAB CCCCSc1nnc2n(C)c(=O)c3c4c(sc3n12)C[C@@H](C(C)(C)C)CC4 4812536 OEIPROWUIQMSEM-LBPRGKRZSA-N 404.605 4.686 0 40 HJAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(OCC)cc2)cc1 5256220 YYXNQWGTGXKLJU-QHCPKHFHSA-N 405.498 4.923 0 40 HJAB CCOc1ccc(NC(=O)Cn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)cc1 5949179 HKYXXKTZQVCJMZ-UHFFFAOYSA-N 404.388 4.732 0 40 HJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)CCc2ccccc2)c(OC)c1 6642065 LXBRFSSHLGAUPU-DFCKQENNSA-N 423.553 4.531 0 40 HJAB biogenic CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cc(C)ccc1C)S2 6812240 NXMXIZFDRGBJPS-NHCUHLMSSA-N 421.570 4.554 0 40 HJAB CC(C)C(=O)Nc1sc2c(c1C(=O)OCC(=O)c1ccc(Cl)cc1)CCC2 7985213 ZGENEYPCNRNNFY-UHFFFAOYSA-N 405.903 4.524 0 40 HJAB C[C@@H](NC(=O)Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S)c1ccccc1 8266073 PLLPBEZNBMBSOO-MRXNPFEDSA-N 423.538 4.541 0 40 HJAB CCC[C@@H](NC(=O)COC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1 8332566 TZCIZROCXQGTMO-LJQANCHMSA-N 415.580 4.980 0 40 HJAB O=C(COc1ccc(Cl)cc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 8520720 YMCWLFYIAALRAH-MRXNPFEDSA-N 402.903 4.541 0 40 HJAB CSc1nc2ccc(NS(=O)(=O)c3ccccc3Br)cc2s1 8725712 ZYWGDPNPRPYYRQ-UHFFFAOYSA-N 415.359 4.582 0 40 HJAB CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 8961239 GCZGZJANRWUPEM-UHFFFAOYSA-N 424.478 4.634 0 40 HJAB O=C(Nc1ccccc1)c1ccc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1 8988467 BHUDULTUJOUXJJ-UHFFFAOYSA-N 423.398 4.660 0 40 HJAB Cc1cccc(-n2c(C)c(C)c3c2ncn2nc(COc4ccc(Cl)cc4)nc32)n1 9340535 FBEYOTXLCDUIDU-UHFFFAOYSA-N 418.888 4.621 0 40 HJAB CCC(=O)N(c1nnc(SCc2csc(-c3ccccc3)n2)s1)C1CC1 9533161 OHCHTDZQZDONNE-UHFFFAOYSA-N 402.570 4.859 0 40 HJAB Cc1cccc(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1C 12062254 SWOGOQRHMMFOLF-UHFFFAOYSA-N 403.482 4.597 0 40 HJAB CSCC[C@@H](NC(=O)CCC(=O)c1ccc(C)s1)c1nc2ccccc2[nH]1 12544276 MNNLPMXBTPHRFR-MRXNPFEDSA-N 401.557 4.506 0 40 HJAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CCc2ccccc21 12567941 YDGCCUDSDMSGFI-UHFFFAOYSA-N 409.489 4.810 0 40 HJAB CCc1ccc([C@H](NCC(=O)Nc2cc(OC)ccc2OC)c2cccs2)cc1 12616437 PMXWJIAKORPDGZ-QHCPKHFHSA-N 410.539 4.645 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cccc(Br)c2)c(OC)c1 12782432 JCOGAWNAIRMSQX-BLRBJFNZSA-N 416.315 4.843 0 40 HJAB COc1ccc(C(C)=O)cc1CSc1ccccc1C(=O)OCC(=O)C(C)(C)C 12976494 IOKBORMHKRICAF-UHFFFAOYSA-N 414.523 4.962 0 40 HJAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1I 13004474 IAKSMLKDECTBAA-MRXNPFEDSA-N 411.670 4.826 0 40 HJAB CC(C)n1ncc2cc(NC(=O)c3c(-n4cccc4)sc4c3CCSC4)cnc21 13128782 LRRCHYCAYGTIOC-UHFFFAOYSA-N 423.567 4.906 0 40 HJAB COc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccccn2)cc1 13238198 ACLMRORASQMUSW-UHFFFAOYSA-N 414.494 4.507 0 40 HJAB O=C1c2ccccc2-c2nn(C(=O)c3ccc(Br)s3)c3cccc1c23 13304356 JUMXFTHZCSYNAL-UHFFFAOYSA-N 409.264 4.760 0 40 HJAB Cc1sc(NC(=O)C2CC2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1 13565784 VNMSHWXTLPTHAF-UHFFFAOYSA-N 421.497 4.809 0 40 HJAB O=C(Nc1ccccc1OCC(F)(F)F)C1CCN(c2nc3ccccc3o2)CC1 14170351 XPLSTEVRJNHGRF-UHFFFAOYSA-N 419.403 4.624 0 40 HJAB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccccc2OC2CCCC2)CC1 19021136 ASXFVFZPRJYOAX-UHFFFAOYSA-N 410.533 4.775 0 40 HJAB CCCc1ncc(-c2ccncc2C)c([C@H]2CCCN2C(=O)c2c(CC)noc2C)n1 19525669 GWUHPYWMOARRRJ-HXUWFJFHSA-N 419.529 4.636 0 40 HJAB Cc1nc([C@H]2CCN(Cc3ccccc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19753210 WKAIHQIWLPZFJI-SFHVURJKSA-N 406.917 4.680 0 40 HJAB O=C(C[C@H]1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 19817429 BCEHXVBQEIGBRZ-FQEVSTJZSA-N 424.451 4.564 0 40 HJAB COc1ccc(-c2nnc([C@@H](C)Sc3nc(C)c(C)n3C[C@H]3CCCO3)o2)cc1 22131510 MIDKKYKMUJEHHT-CRAIPNDOSA-N 414.531 4.591 0 40 HJAB COCc1c(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)sc2cccc(F)c12 26390664 XTZHSJJHCQWWNV-CQSZACIVSA-N 424.501 4.601 0 40 HJAB CCOc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c(O)cc(=O)[nH]c23)cc1 27021314 KJIWZTLRKORUEX-UHFFFAOYSA-N 406.385 4.928 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccc(C)c(C)c3)cs2)cc1 27994977 QXWRSTXLWZDQHJ-KRWDZBQOSA-N 410.539 4.562 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3noc(-c4cccc(F)c4)n3)c2)cc1 28221672 GAIJMSQOLNRCCW-UHFFFAOYSA-N 409.442 4.652 0 40 HJAB Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)oc2c1C 28290720 DRXAZSCHFSJPDB-LJQANCHMSA-N 424.566 4.818 0 40 HJAB O=C(Nc1ccnn1Cc1cccs1)c1cc(-c2ccc3c(c2)CCCC3)on1 28404790 AVZPXOVODWSGSK-UHFFFAOYSA-N 404.495 4.779 0 40 HJAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)n2ncc(-c3ccc(F)cc3)c2N1 32093835 IOTLPJJQOZWLPT-INIZCTEOSA-N 419.243 4.518 0 40 HJAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1cccc(OC(C)C)c1 32095313 RRKYYXVJXYDASN-UHFFFAOYSA-N 403.438 4.938 0 40 HJAB Cc1cc(C)cc(OCC(=O)Nc2nc(-c3ccc(Br)s3)ns2)c1 32593784 LRLWQHFFCYDGKW-UHFFFAOYSA-N 424.345 4.663 0 40 HJAB Fc1ccccc1COc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1 33524611 ANOLBLCLBJTGEA-UHFFFAOYSA-N 420.553 4.898 0 40 HJAB COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 36614009 RBRZWDREHFBAFO-CYBMUJFWSA-N 405.429 4.837 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 36874547 KXZNPMASYURBTA-JLTOFOAXSA-N 402.416 4.847 0 40 HJAB O=C(NCCSCc1ccccc1Cl)C1CCN(Cc2ccccc2)CC1 39763588 FNJNKJGWBJKBIS-UHFFFAOYSA-N 402.991 4.602 0 40 HJAB COc1ccc(NC(=O)COc2ccccc2-c2nc(-c3cccc(C)c3)no2)cc1 46012073 AVHBLNUFBYSWQM-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB CN(C)c1ccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1 57487248 XZITWKCVXJMSOQ-UHFFFAOYSA-N 421.888 4.563 0 40 HJAB CC(C)C[C@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1cccc(C(F)(F)F)c1 58217428 LZYLGZPNHVYKHL-SFHVURJKSA-N 419.509 4.656 0 40 HJAB Cc1nc(C(C)(C)C)nc2sc(C(=O)Nc3ccccc3N3CCOC3=O)c(C)c12 65474401 FOKAXLINCYJEEG-UHFFFAOYSA-N 424.526 4.815 0 40 HJAB COc1cccc(CSc2nc3ccccc3c(=O)n2CCc2ccccc2)c1 67259300 FXVODTSOOGYNNJ-UHFFFAOYSA-N 402.519 4.940 0 40 HJAB COc1ccc(-c2n[nH]cc2/C=C2\SC(=O)N=C2Nc2cccc(OC)c2)cc1 72401338 WDQYLGXUPLGHBT-ZDLGFXPLSA-N 406.467 4.812 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)NCc1nn(C2CCCC2)c2c1CCCC2 96099233 QXNFKOVVWDTYKZ-UHFFFAOYSA-N 422.356 4.879 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(F)c(F)c2F)S1 96117333 FGWCDZCYJMPXTM-QLJPJBMISA-N 411.449 4.610 0 40 HJAB Cc1cc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)ccc1F 101092449 RPLFYDVSSSIWRF-MAUKXSAKSA-N 407.308 4.831 0 40 HJAB CC1(C)C[C@H](NC(=O)COc2ccc(Br)cc2Cl)c2ccccc2O1 218946478 MTRNMAJWTRESCJ-HNNXBMFYSA-N 424.722 4.900 0 40 HJAB CC1(C)Cc2cccc(OCC(=O)N3CCS[C@@H](c4ccccc4F)CC3)c2O1 219073635 DUTNIJSHUAVBQF-HXUWFJFHSA-N 415.530 4.625 0 40 HJAB CC1CCN(Cc2ccc(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)cc2)CC1 219236029 WTVRSLVQYOYZLT-UHFFFAOYSA-N 424.932 4.552 0 40 HJAB Cc1cccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 222737992 UWEHLWBQKZUSKL-HXUWFJFHSA-N 424.585 4.829 0 40 HJAB Cc1cccc(CN(C(=O)COc2ccccc2C(C)C)[C@@H](C)C(=O)NC(C)(C)C)c1 222745885 GPSKDPCIFJZBKN-FQEVSTJZSA-N 424.585 4.829 0 40 HJAB COC(=O)c1ccc(N[C@H](C)c2ccccc2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223410991 DJWDAVQIEPEZCZ-QGZVFWFLSA-N 424.522 4.756 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 223745836 VIFLLNDNRIWNJI-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2C)c1 223945500 HYOUNYZPLXXTED-GOSISDBHSA-N 408.523 4.595 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 224174982 QZVXNAPTCTWRNV-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccc(OC)cc1 224904559 HBMIFVJJWALOOV-LEYFIJQKSA-N 418.493 4.635 0 40 HJAB O=C(Nc1nnc(-c2ccccc2)s1)[C@H]1CCCN(Cc2ccccc2Cl)C1 225194887 OWTVLWBCEZFDGX-KRWDZBQOSA-N 412.946 4.709 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)C(C)C)ccc2Cl)cc1C 225201006 CFTYPGQLCUXOEF-HNNXBMFYSA-N 408.951 4.532 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 225240550 LYMXLJHAJLAMJM-IAGOWNOFSA-N 418.940 4.744 0 40 HJAB O=C(NC[C@H]1CC[C@H]([C@H](NC(=O)C2CCC2)c2nccs2)CC1)C1CCCCC1 257269854 MRQZVDWKFJWJPT-ZWOKBUDYSA-N 417.619 4.603 0 40 HJAB CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O 408600247 ASAVTTRIUHRNHK-DEDYPNTBSA-N 424.522 4.767 0 40 HJAB COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C(=O)OC)c3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 408625671 YXLGMTMTODVXIP-CLBRPSSMSA-N 405.494 4.865 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 408644326 SNCXPAJNSWLEQP-FQEVSTJZSA-N 422.525 4.642 0 40 HJAB CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1O 409412358 VASQTMVCRFHBPA-UHFFFAOYSA-N 423.325 4.708 0 40 HJAB Cn1c([C@@H]2CCCN2C(=O)Nc2ccccc2OC(F)(F)F)nc2ccccc21 524733578 WVJHHUSBSJJCEG-INIZCTEOSA-N 404.392 4.841 0 40 HJAB C[C@H]1c2ccccc2CN1C(=O)[C@H]1CC[C@H](C(=O)N2Cc3ccccc3[C@H]2C)CC1 542171991 OYZRLQHNDAZSKN-SOIMTFEMSA-N 402.538 5.000 0 40 HJAB O=C(NC(=S)n1nc(Nc2ccccc2)cc1Nc1ccccc1)c1ccco1 575443231 QXAWTOIFHZOWSC-UHFFFAOYSA-N 403.467 4.526 0 40 HJAB CC[C@H](C)[C@@H](C(=O)N[C@@H]1CCCc2c1[nH]c1ccccc21)N1Cc2ccccc2C1=O 575443999 LZINVGUQEGXLQY-IGUJJWBZSA-N 415.537 4.732 0 40 HJAB C[C@H]1Oc2ccccc2CCCCC2(CCN(Cc3ccccc3F)CC2)CNC1=O 643589057 MMPUKAILOSUNRN-HXUWFJFHSA-N 424.560 4.718 0 40 HJAB CCCCN([C@@H]1CCC[C@H](C)C1)S(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C 1663585862 VSHNRJABINQVJC-WMLDXEAASA-N 415.983 4.805 0 40 HJAB O=C(NCc1ccc(F)cc1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 827041 XNHKHBYBSAFWKF-UHFFFAOYSA-N 420.391 4.546 0 40 HJAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(F)cc1 1262436 CNVGXHAZMZOFDS-UHFFFAOYSA-N 411.424 4.572 0 40 HJAB COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 1380071 AOQBMRYKCADRGO-NRFANRHFSA-N 424.522 4.797 0 40 HJAB O=C1[C@@H]2CS[C@H](c3ccc(C(F)(F)F)cc3)N2C(=S)N1c1ccc(F)cc1 1430465 NKINRGOHQGWRQI-GOEBONIOSA-N 412.433 4.592 0 40 HJAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 2313430 RHVJMGJODQKRQJ-UHFFFAOYSA-N 400.478 4.606 0 40 HJAB O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1OCc1ccc(F)cc1 2368573 ABWUNUMUMNLODZ-UHFFFAOYSA-N 410.445 4.596 0 40 HJAB Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2)n1 2413024 VCZCDVJLQANHGQ-QGZVFWFLSA-N 408.866 4.961 0 40 HJAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2ncnc3sc(C)c(C)c23)c1C 2623835 OBYJZGPGMXGWJV-GFCCVEGCSA-N 403.573 4.909 0 40 HJAB C[C@@]1(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)CC1(Cl)Cl 2655419 GVCYLWYGRRSGDI-SFHVURJKSA-N 410.322 4.903 0 40 HJAB Cc1ccc(CN2CCc3c(OCC(=O)Nc4cccc(C)c4)cccc3C2=O)cc1 2716415 MUYRCLNVAWHIKO-UHFFFAOYSA-N 414.505 4.519 0 40 HJAB CCOC(=O)C1=CN(c2ccc(C)c(C)c2)C=C(C(=O)OCC)C1c1ccc(F)cc1 2775715 PIWZHCKKLCQPAL-UHFFFAOYSA-N 423.484 4.940 0 40 HJAB Cc1ccc(NC(=O)Cc2nc(CSc3ncnc4sccc34)cs2)cc1 3430086 NITNSZBNNMIASV-UHFFFAOYSA-N 412.565 4.930 0 40 HJAB CC(=O)O[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 4025108 JNZLFQBVNULBKB-JNFBOQJPSA-N 416.558 4.772 0 40 HJAB biogenic O=C(Nc1ccc(F)cc1F)c1cc2n(n1)[C@@H](C(F)(F)F)[C@H]1CCCC[C@@H]1N2 4178854 XRRSYUJZJFMCFN-KNHMANMVSA-N 400.351 4.501 0 40 HJAB Cc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1 4618386 CZOBWCJWJDVGIL-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@H]1c1ccc(Cl)cc1 4816967 NEWUKJLXTOWTEJ-OALUTQOASA-N 410.905 4.808 0 40 HJAB C[C@H]1CCCCN1C(=O)CSc1nc(COc2ccccc2)nc2ccccc12 4936834 BQIMOGFZZJWRPU-KRWDZBQOSA-N 407.539 4.702 0 40 HJAB Cc1oc2c(C)c3oc(=O)c(CC(=O)NCCc4ccccc4F)c(C)c3cc2c1C 5235704 ANQRLPNRWUWBLB-UHFFFAOYSA-N 421.468 4.813 0 40 HJAB O=C(COc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 5265259 YGWQLWUKFWKVNG-UHFFFAOYSA-N 411.433 4.582 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccnc2)N1CCc1ccccc1 5516543 DBQLRILGINIUFU-NRFANRHFSA-N 416.864 4.629 0 40 HJAB CCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1 6597458 AZYXRVIOXHKWJM-SFHVURJKSA-N 410.514 4.646 0 40 HJAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(F)c4)cc3n2)cc1 6630114 VQWKNFZBZKWLAJ-UHFFFAOYSA-N 417.488 4.967 0 40 HJAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1c2ccccc2C[C@H]1C 8131680 LCIDZUAAPDLNCX-CVEARBPZSA-N 404.539 4.603 0 40 HJAB CC(C)(C)C(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cccc(C(F)(F)F)c3)c(=O)n1C2 8300252 JVWWQAUHSWLSDG-GOEBONIOSA-N 418.459 4.526 0 40 HJAB biogenic,in-vitro CCOc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(C)cc2)cc1 8476357 GPPHKXTYKMDPSB-UHFFFAOYSA-N 412.493 4.571 0 40 HJAB CC(C)OC(=O)c1ccc2nc(NC(=O)COc3ccccc3Cl)sc2c1 8903752 RVYYYFLPWGLKIR-UHFFFAOYSA-N 404.875 4.532 0 40 HJAB O=C1CN(C(=O)CSc2nc3ccccc3n2C2CCCCC2)c2ccccc2N1 9594306 XXGBELMCSGARTD-UHFFFAOYSA-N 420.538 4.619 0 40 HJAB CCc1cccc2c(C(=O)CSc3nnc([C@@H]4COc5ccccc5O4)o3)c[nH]c12 9683342 MBQQHAAYVPHFTP-IBGZPJMESA-N 421.478 4.601 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2c(oc3ccccc32)c1=O 9752257 IWOFNMHONVKRTJ-UHFFFAOYSA-N 407.495 4.510 0 40 HJAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 10441349 RVGVGZJMPFTDPA-UHFFFAOYSA-N 413.453 4.975 0 40 HJAB CCN(C(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccc(C)cc1)C1CCCCC1 12848566 FYIRNHXIPOWFGG-MOHJPFBDSA-N 420.553 4.956 0 40 HJAB O=C(c1cc(Cl)cc(Cl)c1OC(F)F)N1CCN(Cc2ccccc2)CC1 12855239 WEEHUVHQHFIYRJ-UHFFFAOYSA-N 415.267 4.553 0 40 HJAB O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccccc1N1CCCC1=O 12877013 OOYQLXGZQVMXQM-UHFFFAOYSA-N 409.873 4.693 0 40 HJAB CCc1ccc([C@H](C)NCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 13041893 WKVALISNJHUBHL-SFHVURJKSA-N 401.510 4.791 0 40 HJAB Nc1cccc(S[C@H]2CC(=O)N(c3ccc(/C=C/c4ccccc4)cc3)C2=O)c1 13576546 IJUMOZLRTOSJJM-CZQLGGELSA-N 400.503 4.863 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3CC)n2CC)cc1 13842247 STWHQTXCNXZWPO-UHFFFAOYSA-N 424.570 4.733 0 40 HJAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(C(=O)c2ccccc2)cc1 14126062 MIHKDXAKPJRHEX-UHFFFAOYSA-N 420.896 4.660 0 40 HJAB Cc1ccccc1Nc1nnc(SCCCc2nc(-c3ccncc3)no2)s1 14902339 WSOYTKMHMLFKFK-UHFFFAOYSA-N 410.528 4.760 0 40 HJAB CC(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 16099673 WDRCRMMTGGIPMD-UHFFFAOYSA-N 411.323 4.728 0 40 HJAB COc1ccc(C(=O)Nc2nc(CC(=O)Nc3cccc4ccccc34)cs2)cc1 16953425 QYFOJEUHNXCVRQ-UHFFFAOYSA-N 417.490 4.738 0 40 HJAB O=C(COc1ccc(F)cc1F)N1CCC[C@@H]1c1ccc(Cc2ccccc2)cn1 19688367 YPEHYAWJEYCSPU-JOCHJYFZSA-N 408.448 4.693 0 40 HJAB CC(=O)N1CCCCC[C@@H]2N(C(=O)c3scnc3C)[C@H](c3ccccc3)C[C@@]21C 19713538 HTLQWQPQELENAN-JTAQYXEDSA-N 411.571 4.589 0 40 HJAB Cc1ccc(NC(=O)Cc2cccs2)cc1S(=O)(=O)Nc1ccccc1Cl 25517389 GFKZAXXIEAAZBN-UHFFFAOYSA-N 420.943 4.692 0 40 HJAB CC(C)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2cc(Cl)ccc21 32091745 IABWCDXRBHJFDP-NRFANRHFSA-N 400.910 4.572 0 40 HJAB C=CCOc1c(Cl)cc([C@@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1OC 33625782 WQCJMKNUUMROOE-QGZVFWFLSA-N 420.918 4.681 0 40 HJAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cc(F)c(F)c(F)c1 35685007 UWJUDWIGWYDSOA-HNNXBMFYSA-N 418.350 4.586 0 40 HJAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)cc(OC)c1OC 36356897 FUTASTXUDZWROS-HNNXBMFYSA-N 413.861 4.675 0 40 HJAB CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cc(C)cc(C)c2)C1 44803696 MBPPRNXSKDPSAK-GOSISDBHSA-N 404.514 4.500 0 40 HJAB O=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCN(C(=O)c2ccccc2)CC1 48333212 NNGTVJGCTUDUBF-UHFFFAOYSA-N 415.493 4.905 0 40 HJAB O=C1c2ccccc2N[C@@]2(C(=O)Nc3c(Cl)cccc32)N1c1cccc(Cl)c1 49947061 GSPBDFXWPIDCEF-OAQYLSRUSA-N 410.260 4.871 0 40 HJAB Cc1ccc(-c2cc3c(N4CCN(c5cc(C)ccc5C)CC4)nccn3n2)c(C)c1 67285117 CFOKVZAAMZNKPC-UHFFFAOYSA-N 411.553 4.957 0 40 HJAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1ccc(F)cc1Cl 71326369 CNNOGTUWDUIHHB-UHFFFAOYSA-N 411.289 4.966 0 40 HJAB Cn1cc(CN2CCC[C@@H]2c2cncc(Nc3ccccn3)n2)c2cc(F)ccc21 72376415 JXBGHCQLIXEVGU-OAQYLSRUSA-N 402.477 4.583 0 40 HJAB CC(C)Oc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 222533924 SVGPXMBRIGKUCP-UHFFFAOYSA-N 424.522 4.551 0 40 HJAB COc1cc(C)c(S(=O)(=O)Nc2nnc(SCC(C)C)s2)cc1C(C)C 223542582 HSCBTRPXJLXGJT-UHFFFAOYSA-N 415.606 4.527 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223811420 DRHFHAOUVUDODW-GOSISDBHSA-N 412.961 4.667 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1NS(=O)(=O)c1ccccc1 224046194 OSLOVMCMPLTNSR-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)cc1 224389600 NYEOLIUQUUXZMT-YADHBBJMSA-N 415.497 4.584 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 224420859 JAOHMOXJBYPTMT-UHFFFAOYSA-N 422.550 4.630 0 40 HJAB CCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCC[C@H](C)C1 225715492 UXCNADATRPJALY-RDPSFJRHSA-N 402.579 4.865 0 40 HJAB Cc1ccc(NC(=O)[C@]23C(=O)Oc4ccccc4[C@@H]2[C@]3(C)C(=O)c2ccccc2)cc1 253592413 ZCAFZRHANIOLSM-QGDZQMKYSA-N 411.457 4.526 0 40 HJAB CCCCn1nc(-c2cc(CC(=O)O)ccc2OC)cc1-c1cccc(OC)c1OC 257204493 AUXAFRKUGLQSLK-UHFFFAOYSA-N 424.497 4.670 0 40 HJAB CC1=NN(C(=O)COc2ccc(C3CCCCC3)cc2)[C@](O)(c2ccc(C)cc2)C1 408563256 KGRUWIRUYBLMRH-RUZDIDTESA-N 406.526 4.875 0 40 HJAB CC(C)Oc1ccc(N2C[C@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)cc1 408707387 JUCVMDWOAKUVAY-LMDPOFIKSA-N 400.563 4.548 0 40 HJAB CCN1CCCCN(C(=O)C2CCCC2)[C@@H](CC(C)C)COc2ccccc2C1=O 643583716 GMGPDLZAPXYOEX-NRFANRHFSA-N 414.590 4.755 0 40 HJAB CCc1nnc(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)n1C1CC1 1505838420 BFOOBCKUTTZSOD-UHFFFAOYSA-N 422.510 4.814 0 40 HJAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1Cl 677253 XAKMEVLSGCEJKR-UHFFFAOYSA-N 400.906 4.728 0 40 HJAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3nc4ccccc4s3)n21 892085 DHRGRPNBXWXVTD-UHFFFAOYSA-N 421.551 4.577 0 40 HJAB Cc1ccc(CNC(=O)c2cnn3c2N[C@H](c2ccc(C)cc2)C[C@H]3C(F)F)cc1 900502 NJBURQOXYUIWRW-PMACEKPBSA-N 410.468 4.793 0 40 HJAB CSc1ccccc1NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 916803 NZJAHVJAUAQCAC-OAHLLOKOSA-N 412.458 4.869 0 40 HJAB CC1(C)[C@]2(C(=O)Nc3nc4ccc(Br)cc4s3)CC[C@@]1(C)C(=O)C2 1261907 UIENINQDAPALPQ-ZWKOTPCHSA-N 407.333 4.783 0 40 HJAB COc1cc(NC(=O)CSc2nc(C(C)(C)C)nc3ccccc23)cc(OC)c1 1342493 VULCKHHQUKSIOP-UHFFFAOYSA-N 411.527 4.675 0 40 HJAB CCCCCCOC(=O)c1ccc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 2271317 CONREPWKWWRCCM-OAQYLSRUSA-N 413.470 4.722 0 40 HJAB CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O 2389660 XQYZCRNBTXDHCJ-QHCPKHFHSA-N 419.477 4.530 0 40 HJAB biogenic CCN(C(=O)COC(=O)CCc1nc2ccccc2s1)c1cccc2ccccc12 3279146 ZFJUCFPMAUOJTN-UHFFFAOYSA-N 418.518 4.978 0 40 HJAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1 3293135 WXIOSBYKKHXNCV-UHFFFAOYSA-N 408.523 4.581 0 40 HJAB CCCCNC(=S)N(Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 4134142 ZCIXXYVDSAJSLD-UHFFFAOYSA-N 413.612 4.883 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C(C)C)cc1 4816699 CZHHCKIHBOYPHG-PMACEKPBSA-N 410.905 4.664 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(F)cc4)c3C)no2)cc1 4880746 QEKBLQMLBZKJCA-UHFFFAOYSA-N 420.444 4.603 0 40 HJAB CCCCC(=O)N(c1ccc(OC)cc1)S(=O)(=O)c1c(C)c(C)cc(C)c1C 5234703 ANTKJMKKDNAGQY-UHFFFAOYSA-N 403.544 4.841 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)/C=C/c1ccccc1)CC2 7408671 VMJFTSNVGBBOPA-LTDXDOBXSA-N 405.519 4.953 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1F)c1ccc(Cl)cc1 8810057 PFWATWXIUDFVKO-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB CCCc1cc(NCCc2ccc(OC)c(OC)c2)n2nc3nc(C)cc(C)c3c2n1 8844001 VFTRKSQKMZBMLY-UHFFFAOYSA-N 419.529 4.519 0 40 HJAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc(Br)s1 9493337 MXTOQQIQDAOVTR-UHFFFAOYSA-N 420.357 4.944 0 40 HJAB Cc1cccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1C 9517667 LASPNHBGVWHLNI-UHFFFAOYSA-N 423.929 4.817 0 40 HJAB O=C(CCc1ccccc1Cl)Nc1ccccc1C(=O)NCCc1ccccc1 10457881 CGKUPWYAUWKNIN-UHFFFAOYSA-N 406.913 4.884 0 40 HJAB CCOC(=O)Nc1cccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1 12621333 WBPQVUVCYQBLDO-UHFFFAOYSA-N 409.511 4.659 0 40 HJAB COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)c(Cl)c4)nc3c2)c(OC)c1 12651352 ZVBVDMCYCQEBKG-UHFFFAOYSA-N 422.872 4.652 0 40 HJAB C[C@@H]1CCc2c(sc3nc(CCN[C@H](C)c4ccc(F)cc4F)nc(N)c23)C1 12684256 JTVDERKBSCMVDE-VXGBXAGGSA-N 402.514 4.570 0 40 HJAB COc1ccc(-c2csc3nnc(SCC(=O)Nc4cccc(C)c4C)n23)cc1 12878735 RSAYYAWKLMLVCC-UHFFFAOYSA-N 424.551 4.814 0 40 HJAB CCOc1cc2c(cc1NC(=O)c1cc(C3CC3)nn1-c1ccccc1)O[C@@H](C)C2 12979033 PASMAJGUNCKODH-HNNXBMFYSA-N 403.482 4.724 0 40 HJAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 13021751 MYCPIUJXDWXMFU-RPWUZVMVSA-N 414.505 4.518 0 40 HJAB O=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)Nc1ccc2c(c1)OCO2 13609682 FVEVCCJONRLQIU-UHFFFAOYSA-N 417.469 4.507 0 40 HJAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cc2ccccc2oc1=O 13892994 HGUWMUAYFZJNQX-UHFFFAOYSA-N 423.421 4.700 0 40 HJAB O=C(Nc1ccc(OC(F)F)cc1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14302724 MBPOJIDASVISKF-UHFFFAOYSA-N 401.388 4.744 0 40 HJAB O=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1ccc2c(c1)OCCCO2 14635275 UERQMKJPABOMRL-UHFFFAOYSA-N 400.887 4.806 0 40 HJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 16035666 QGNZJLRHTCKAPD-COXVUDFISA-N 402.409 4.746 0 40 HJAB O=C(Cc1ccc(F)cc1)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 16515984 DZMACRFYTMTVMT-UHFFFAOYSA-N 403.432 4.676 0 40 HJAB Cc1ccc(-c2csc(NC(=O)CCCC(=O)O)c2C(=O)OC(C)C)c(C)c1 17082676 AROGRZKAOVSCFI-UHFFFAOYSA-N 403.500 4.791 0 40 HJAB C[C@@H](Oc1cc(Cl)ccc1Cl)c1nnc(S)n1-c1ccc2c(c1)OCCO2 17093789 NMBQUGOGGQBRQK-SNVBAGLBSA-N 424.309 4.774 0 40 HJAB Cc1ccc2[nH]c(C)c(CC(=O)N3CCC[C@H](c4nnc(-c5ccsc5)o4)C3)c2c1 19220057 JGARTGZOCAXSOX-INIZCTEOSA-N 420.538 4.845 0 40 HJAB Cc1cc(-c2cnc(C3CCN(C(=O)Cc4ccccc4C)CC3)nc2C(C)C)on1 19237042 ROPPBOIFSHPCJQ-UHFFFAOYSA-N 418.541 4.821 0 40 HJAB O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1 19347029 RZKHVGLOGKBUMP-FQEVSTJZSA-N 418.541 4.665 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3cc(C)nn3C(C)C)ccc2-n2ccnc2)cc1 19572673 DSBJPNGFICEITH-UHFFFAOYSA-N 415.497 4.886 0 40 HJAB Clc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCc3ccccc3C2)cc1 20121029 PPIJUGQMUCPMAA-QHCPKHFHSA-N 415.928 4.523 0 40 HJAB O=C(NCc1ccc(F)cc1)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 22504635 IGBWZEKHRBXMSG-UHFFFAOYSA-N 409.486 4.802 0 40 HJAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)NCc3cccs3)cc21 22510257 VYHSXTOMUBSQEP-UHFFFAOYSA-N 415.559 4.868 0 40 HJAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OC 24764594 HZFVKJITNWIPIM-INIZCTEOSA-N 416.326 4.536 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(COc2ccccc2Br)o1 27970783 GWALXISQPHWZHW-UHFFFAOYSA-N 416.227 4.602 0 40 HJAB C[C@@H](Nc1ccc(Oc2ccccc2Cl)cc1)C(=O)N1CC(=O)Nc2ccccc21 28626137 PXZPTPMJLWKJQV-OAHLLOKOSA-N 421.884 4.918 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nnc2c(n1)[nH]c1ccc(C(C)C)cc12 35312774 OBJTUVSFNIPTDV-UHFFFAOYSA-N 421.526 4.759 0 40 HJAB O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 35684680 UEDJAUABRILFDO-MRXNPFEDSA-N 416.359 4.620 0 40 HJAB CC1(C)CC(N(Cc2cccnc2)Cc2cc3c(cc2Cl)OCO3)CC(C)(C)N1 36740540 WLMUTGXIEVVXCX-UHFFFAOYSA-N 415.965 4.775 0 40 HJAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(OCc2cccnc2)cc1 40110615 HOZCKXCISDIIRH-UHFFFAOYSA-N 411.461 4.778 0 40 HJAB Cc1ccc([C@@H](NCC(=O)Nc2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1 40158316 HWJKNMJVUHLRGC-MRXNPFEDSA-N 406.326 4.725 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)Cc2csc(Nc3cccc(C)n3)n2)cc1 49029594 XVLPEKWDNAILHV-UHFFFAOYSA-N 424.526 4.728 0 40 HJAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(F)cc1)C1c3ccccc3C2(Cl)c2ccccc21 59418740 ILPKQNFUMZNOCW-ISQHLFTMSA-N 403.840 4.573 0 40 HJAB CCc1ccc(-n2nc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)cc1 64950065 GJSLXIFSYGGKCF-UHFFFAOYSA-N 412.424 4.804 0 40 HJAB O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCC(c2ccccc2)CC1 65107248 RTWXMIDMOHBGAE-UHFFFAOYSA-N 410.315 4.859 0 40 HJAB Cc1cccc(CSc2ncc3c(n2)-c2cc(Cl)ccc2N(C)S3(=O)=O)c1 67260092 PMNPVJPBDOVBRT-UHFFFAOYSA-N 417.943 4.536 0 40 HJAB CC[C@@H](C)n1c(SCC(=O)N(CC)Cc2ccccc2)nc2ccsc2c1=O 67335164 BSGPRWQNPXVCQV-OAHLLOKOSA-N 415.584 4.570 0 40 HJAB C[C@@H](NC(=O)c1ccc(CNC(=O)c2cccs2)cc1)c1cc2ccccc2o1 71793170 QDIRXUNMDDGNAV-OAHLLOKOSA-N 404.491 4.915 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1)c1cccs1 72330405 FICZDQUATVLFHZ-GCJKJVERSA-N 409.530 4.666 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@H](c3nccnc3-c3ccccc3F)C2)cc1 72358793 IXQMIPZWBORFSY-IBGZPJMESA-N 419.500 4.630 0 40 HJAB Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 72377047 DEVHKHWHZWPEKS-FQEVSTJZSA-N 424.907 4.815 0 40 HJAB FC(F)(F)c1cccc(OCCc2cc([C@@H]3CCCN3Cc3cccnc3)n[nH]2)c1 72378317 IPJPZCMDWKDVTB-NRFANRHFSA-N 416.447 4.782 0 40 HJAB CC(C)n1nc(CC(=O)Nc2cccc3c2ccn3C(C)C)c2ccccc2c1=O 72401842 KWEFTALPUDPDAY-UHFFFAOYSA-N 402.498 4.694 0 40 HJAB O=C(CCc1ccccc1Br)N1CC(c2nc3ccccc3s2)C1 79095324 VGYGRKGVWAQDKE-UHFFFAOYSA-N 401.329 4.617 0 40 HJAB Cc1ccc2cc(CN3CCN(c4cc(C)nc(C(C)C)n4)CC3)c(Cl)nc2c1 96126353 BQKKEEDPEXYDJU-UHFFFAOYSA-N 409.965 4.741 0 40 HJAB COc1cccc(CCNC(=O)c2c3c(-c4ccccc4)ncnc3n3ccccc23)c1 96146673 ADOKXYWZIMRGKN-UHFFFAOYSA-N 422.488 4.531 0 40 HJAB Cc1oc(=O)c(-c2csc(Nc3ccc(Cl)cc3)n2)c(O)c1Br 96318789 NNRAYRCNNPUFDR-UHFFFAOYSA-N 413.680 4.937 0 40 HJAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1N/C=C1\N=C(c2ccco2)OC1=O 100209413 DJCJGWRKBJJGHG-WJDWOHSUSA-N 422.462 4.750 0 40 HJAB COc1ccc(-c2csc(C3=C(O)CN(Cc4ccccc4)C3=N)n2)cc1OC 102719152 UYVGNLIOIBFWKK-UHFFFAOYSA-N 407.495 4.589 0 40 HJAB O=C(c1cc(Cl)ccc1OCc1ccccc1)N1CCN(Cc2ccccc2)CC1 219763056 UZBLQQLQVRYUPA-UHFFFAOYSA-N 420.940 4.877 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 222411085 CYIONQDKRPCEHB-OAQYLSRUSA-N 400.950 4.523 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 223043094 QVEQECKTQUDJAL-SFHVURJKSA-N 400.950 4.525 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 223062692 SXHXMCCACGLDMM-OALUTQOASA-N 414.977 4.831 0 40 HJAB CC[C@@H](C)NC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccccc3)ccc2s1 223393167 BTRYNLNKSPLEEO-OAHLLOKOSA-N 416.568 4.645 0 40 HJAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C 223417583 RVUSRTZKKYHUDH-XZOQPEGZSA-N 420.582 4.701 0 40 HJAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223594477 CWWURZQSAASGND-GCJKJVERSA-N 414.977 4.995 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2cccc(OC)c2)c1 224254843 SYKYKAIDVHQMFK-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 224542128 BJFASSIESHHMMP-XMMPIXPASA-N 424.585 4.734 0 40 HJAB CC(C)Sc1nnc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)s1 224605551 DGMNOTDHMQDKLN-AWEZNQCLSA-N 410.996 4.543 0 40 HJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)c(OC)c1 224796966 XYKXVPOEVSGXDN-YADHBBJMSA-N 422.554 4.658 0 40 HJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)cc1Cl 224949644 BCEAMSQFSDMTSL-VQTJNVASSA-N 412.946 4.866 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 225009725 PMOCMZUDUTXSEP-VQTJNVASSA-N 410.558 4.521 0 40 HJAB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225268110 JOJDVFBEXXXJQG-MRXNPFEDSA-N 400.544 4.771 0 40 HJAB COC(=O)c1cccc(-c2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)o2)c1 408631741 BLEVVUVZUUBPIT-UNOMPAQXSA-N 420.446 4.827 0 40 HJAB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl 408657576 HAWGYFHYDKGYOA-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB CCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(C)c1-c1ccc(OC)cc1 409199191 HLCQBLWMESGVHH-LNVKXUELSA-N 416.930 4.728 0 40 HJAB CC(=O)N1CC2=C(C1=O)[C@H](c1cccs1)c1cn(CCC(C)C)c3cccc(c13)N2 524732674 HRWZTZSQVFOMPE-QFIPXVFZSA-N 419.550 4.949 0 40 HJAB C[C@H](CC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)CC(=O)N[C@H](C(C)(C)C)C(F)(F)F 577045798 HVXPUILAOZSNDO-ZOZIMZAQSA-N 420.438 4.589 0 40 HJAB CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)Nc3ccc(C)cc3)cc2c1 1360957 UOXBSSKUTBLHIT-JOCHJYFZSA-N 419.525 4.612 0 40 HJAB O=C(NCc1ccc2c(c1)OCO2)c1oc2ccccc2c1COc1ccccc1 3437534 NQEXUXDATOCDLZ-UHFFFAOYSA-N 401.418 4.671 0 40 HJAB C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccccc1-c1ccccc1 3442576 VDUPDSDNQUWFPC-MRXNPFEDSA-N 415.518 4.720 0 40 HJAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 3602554 ARSFMHNLJMONSV-CYBMUJFWSA-N 411.483 4.710 0 40 HJAB C[C@]12C(=O)N(c3cc(Cl)ccc3O)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 4525761 HICJMHYLYSWGQD-FEIQLAPHSA-N 415.876 4.832 0 40 HJAB O=C1CS[C@@]2(SC(c3ccccc3)=NN2c2ccccc2)N1c1ccccc1 4670925 WBXAKEUTDDZUOK-JOCHJYFZSA-N 403.532 4.993 0 40 HJAB O=CN(CCCC[C@H]1C(=O)N[C@H]2CCCC[C@@H]2[C@H]1c1ccccc1)c1ccccc1 4811798 HSUJEVIVQKZGOF-FQUZAXHOSA-N 404.554 4.908 0 40 HJAB O=c1oc2ccccc2c2c1C(c1ccc(O)cc1)c1c(c3ccccc3oc1=O)O2 4942276 IHTILTCMWIJADG-UHFFFAOYSA-N 410.381 4.891 0 40 HJAB COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(C3CCCCC3)cc2)n1 4968134 MRKREUSBBDBJMC-UHFFFAOYSA-N 417.509 4.605 0 40 HJAB Cc1cc(C)c(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1C 5137591 IUGDNIKCJCHGPP-UHFFFAOYSA-N 420.987 4.910 0 40 HJAB COc1cccc(-c2nc(Oc3ccc(NC(C)=O)cc3)c3ccccc3n2)c1O 5561834 SBQAERHXUARBCF-UHFFFAOYSA-N 401.422 4.762 0 40 HJAB O[C@@H](COc1ccccc1Cl)Cn1c(COc2ccccc2)nc2ccccc21 5595021 UKPCPKIDZPJAAD-QGZVFWFLSA-N 408.885 4.709 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 6247924 YBBZSIKYRUGOSA-UHFFFAOYSA-N 409.313 4.626 0 40 HJAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(C(F)(F)F)c1 6309026 XCVUCHZZICDVHX-UHFFFAOYSA-N 405.203 4.723 0 40 HJAB COc1ccc(OC)c(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c1 6623835 LRRIRRZQGBDTEH-UHFFFAOYSA-N 421.449 4.663 0 40 HJAB biogenic COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(OC(F)F)c1 6652912 SYIAZZKKCGYWPD-UHFFFAOYSA-N 405.319 4.584 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 7062984 AJYAHWDFVQIMLA-UHFFFAOYSA-N 400.434 4.907 0 40 HJAB CCc1sc2nc(SC[C@H]3CCCO3)n(-c3cccc(OC)c3)c(=O)c2c1C 7147705 ZJFIYSUQQVIAIY-MRXNPFEDSA-N 416.568 4.598 0 40 HJAB Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccncc2)c1 7778842 OKLZGZKVYCZQIC-UHFFFAOYSA-N 415.522 4.742 0 40 HJAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1cccc(Br)c1 7841905 KGNSSHFJDKYYLM-UHFFFAOYSA-N 409.711 4.512 0 40 HJAB COc1cc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)ccc1OC(F)F 8127943 PZSQJBTVNXTIAF-UHFFFAOYSA-N 422.428 4.574 0 40 HJAB CN(C)[C@@H](CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1 8313454 RRQULPYESXRJRM-VWLOTQADSA-N 424.548 4.631 0 40 HJAB CC(=O)NCCCc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 8324296 WFXGJWSDEZVBHK-UHFFFAOYSA-N 419.550 4.894 0 40 HJAB Cc1ccc(C(=O)[C@@H](CC(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 8475328 CRXJLRMYBCJVKZ-HSZRJFAPSA-N 406.503 4.602 0 40 HJAB Cc1ccc(-c2nc(CN3C(=O)N[C@]4(CCCCc5ccccc54)C3=O)cs2)cc1 8502014 YKYWJBQGFDEMCL-DEOSSOPVSA-N 417.534 4.792 0 40 HJAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3cccs3)ccc21 8959265 PGMZQXINORBRQH-UHFFFAOYSA-N 400.544 4.727 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 9418622 COSYEDSFRVNBRT-KMCQBPLKSA-N 406.452 4.947 0 40 HJAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc2nc(-n3cccc3)sc2c1 9482794 ZGLZMKKNWISGMC-UHFFFAOYSA-N 404.470 4.680 0 40 HJAB CSc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)c1 10026248 CBCLTPZPVDQCCJ-UHFFFAOYSA-N 413.568 4.505 0 40 HJAB C[C@H]1CCCCN1C(=O)Cn1c(SCCOc2ccccc2)nc2ccccc21 12062258 CTADOPDSEXHTFN-SFHVURJKSA-N 409.555 4.608 0 40 HJAB Cc1ccc([C@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2CCCOC(C)C)cc1 12062503 ZJKYIQWVQAPQOE-QFIPXVFZSA-N 405.494 4.770 0 40 HJAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)Cc2c(F)cccc2Cl)C1 12238559 WMNUEUZFUZGXPO-IBGZPJMESA-N 424.907 4.704 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCN(c2ccc(F)cc2)CC1 12325176 TUYKBPBKMTYNPE-UHFFFAOYSA-N 415.921 4.873 0 40 HJAB Cc1cc2c(cc1Cl)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 12329834 LDSKHFAHKGVVLZ-WOJBJXKFSA-N 422.352 4.686 0 40 HJAB Cc1cc2c(cc1Cl)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(Cl)cc3)CC1)O2 12329846 LDSKHFAHKGVVLZ-PMACEKPBSA-N 422.352 4.686 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 12977354 WQZCNCPNGVQZAR-GFCCVEGCSA-N 403.301 4.979 0 40 HJAB Cc1ccc2c(C)c(CCC(=O)Nc3ccc(Br)cc3F)c(=O)oc2c1 12978975 HQZHAHMSIPMIBS-UHFFFAOYSA-N 418.262 4.883 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)n2C(C)C)cc1 13141690 CGWADCOPMBSDNQ-TXPKVOOTSA-N 416.591 4.568 0 40 HJAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)N1CCCCC1 13709428 FFTAFIIPIAXSMT-SFHVURJKSA-N 402.494 4.872 0 40 HJAB O=c1/c(=C\c2ccc(Sc3ccc(Cl)cc3)o2)sc2nc3ccccc3n12 13810306 JBYNKKWVONNKTB-GZTJUZNOSA-N 410.907 4.855 0 40 HJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 14129272 DBACIWBXENVOPC-UHFFFAOYSA-N 420.412 4.781 0 40 HJAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC 14187380 FCXSGODDZKMRRM-HNNXBMFYSA-N 416.326 4.536 0 40 HJAB O=C(Nc1ccccc1OCC(F)(F)F)c1ccc(Cl)c(N2CCCC2=O)c1 14553964 OBOKHBDPEHWFQY-UHFFFAOYSA-N 412.795 4.660 0 40 HJAB Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(C)c1 20357046 ZPIZHYDQYGHXIZ-UHFFFAOYSA-N 411.552 4.913 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 20611127 GJHLABIKMBTZMZ-LFYBBSHMSA-N 402.429 4.529 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3ccc(Cl)cc3)nnc2c1-c1ccc(OC)cc1 20672911 YCHGOYBMEIKNPG-UHFFFAOYSA-N 421.888 4.576 0 40 HJAB COc1ccc(-n2c(SCc3ccc(F)cc3)nc3ccccc3c2=O)cc1OC 20787800 XDYYVZYDUQTUKS-UHFFFAOYSA-N 422.481 4.834 0 40 HJAB O=C(CSc1nnc(Nc2cccc(F)c2)s1)N1CCC[C@@H]1c1cccs1 22172386 VTUJODYPTAQGDE-CQSZACIVSA-N 420.560 4.938 0 40 HJAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Br)cc1Cl 22259051 AMWZTOHWRSJPND-UHFFFAOYSA-N 411.104 4.565 0 40 HJAB COc1ccc(NC(=O)Nc2ccc(-n3nc(C)c(Br)c3C)cc2)cc1 27924763 PZQMOTPQVSTTGM-UHFFFAOYSA-N 415.291 4.904 0 40 HJAB CN(C)c1nc2cc(C(=O)N3CCC[C@@H]3c3ccncc3)sc2n1-c1ccccc1 32314710 AFOBCSDXCQSQQB-LJQANCHMSA-N 417.538 4.525 0 40 HJAB O=C(Oc1ccc2cc(Br)ccc2c1)c1ccc(CN2CCCC2=O)cc1 32738002 GVFJVQGUADCXHK-UHFFFAOYSA-N 424.294 4.944 0 40 HJAB O=C(CCc1ccccc1)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 32931787 YRIISCPYIOGOFG-UHFFFAOYSA-N 404.853 4.712 0 40 HJAB Cc1ccc(-c2oc3ccccc3c(=O)c2OS(=O)(=O)c2ccc(C)cc2)cc1 36646378 SFEGGNBCHVXXQF-UHFFFAOYSA-N 406.459 4.845 0 40 HJAB biogenic,in-vitro O=C(NCc1cccc(CN2CCCC2)c1)c1ccc(CN2CCCCCC2)cc1 38831674 JVVFGYMKNLWBMC-UHFFFAOYSA-N 405.586 4.588 0 40 HJAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)cc1 39964020 AQXDPARURFMJAD-HSZRJFAPSA-N 424.504 4.504 0 40 HJAB CC[C@H](NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1)c1ccc(Cl)cc1 48374993 FQZRBBGPGBPHSB-KRWDZBQOSA-N 417.918 4.760 0 40 HJAB O=C(c1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1)N1CCOCC1 59843002 KBFBFGBCDXMJCF-UHFFFAOYSA-N 411.672 4.927 0 40 HJAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCc1cccs1)n2-c1ncccn1 96037394 RBTHCYCEVIRSHI-UHFFFAOYSA-N 415.522 4.948 0 40 HJAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)CN5C(=O)c6ccccc6C5=O)(C4)C2)C3)cc1 100497247 HFZNBHHPWSMFOZ-BXWMAURHSA-N 413.517 4.698 0 40 HJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@@H]3C2=O)c1 100626368 FNZHQOGUUKMVSU-UFYCRDLUSA-N 424.909 4.761 0 40 HJAB COc1ccc([C@@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(O)=C32)c(OC)c1 102738491 PXVWUDVTKJICNL-WLRWDXFRSA-N 424.482 4.777 0 40 HJAB C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCCCCC1 107963699 FLFRLYWOZICKHS-NQIIRXRSSA-N 418.578 4.714 0 40 HJAB CC(=O)OCC[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118928585 SVJXBKQKUHYDPQ-JNFBOQJPSA-N 418.574 4.565 0 40 HJAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)c(Cl)cc1O 222674067 ZLXDCLUODYGBPT-ZUSMLRIVSA-N 403.935 4.819 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(OC)c3)N21 222707696 BPYKJIXIZMHSQF-NPFVIJTESA-N 404.539 4.860 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1cccnc1)c1ccccc1 223410732 VCTVQGCDJZYHOT-QHCPKHFHSA-N 421.928 4.531 0 40 HJAB CC(C)(C)c1ccccc1OCCNS(=O)(=O)c1cc(Cl)ccc1Cl 223691802 UFQLWRCYTUQTKN-UHFFFAOYSA-N 402.343 4.648 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 224113717 CNSDPVZRIMFFBS-HSZRJFAPSA-N 424.610 4.953 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 225096403 MFZVNYAZMKJOND-PMACEKPBSA-N 412.599 4.809 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1 225127934 YFTJVNHXMYKJLB-XMMPIXPASA-N 408.586 4.824 0 40 HJAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccc(OCc4ccccc4)cc3)c2c1 225755743 CBIUYNNSZROBGL-UHFFFAOYSA-N 412.489 4.836 0 40 HJAB Clc1ccc(Cc2nnc3sc(-c4cccc(Br)c4)nn23)cc1 226300016 YWBAIGKADXWIQS-UHFFFAOYSA-N 405.708 4.860 0 40 HJAB Nc1ccc(Cl)c(-c2nc3cc(Br)cc(Br)c3[nH]2)c1 226343860 LSQTXDLZSGSBOD-UHFFFAOYSA-N 401.489 4.991 0 40 HJAB CC(=O)Nc1ccc(CN2CCC3(CC2)Oc2cc(C)ccc2[C@H]2OCCC[C@@H]23)cc1 257224115 FAJXVILZGKZGDA-UKILVPOCSA-N 420.553 4.848 0 40 HJAB CC(C)n1nccc1C(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257313103 URBFPHPSUBHZKU-KRWDZBQOSA-N 412.921 4.716 0 40 HJAB CC(C)c1ccccc1OCCNc1ncc(C(=O)O)c(CCc2ccc(F)cc2)n1 257334172 YEVHXFZIYRRJFX-UHFFFAOYSA-N 423.488 4.713 0 40 HJAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)c4cc5ccccc5[nH]4)C3)o2)c1 257340002 ZECLRQMGKSROHU-IBGZPJMESA-N 415.493 4.775 0 40 HJAB COC(=O)c1ccc(-c2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)o2)cc1 408635012 WMBSYCNZWRFLHQ-UNOMPAQXSA-N 420.446 4.827 0 40 HJAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(Br)cc2)CC1=O 408641476 LTYXAEOQDFSZJJ-INIZCTEOSA-N 415.331 4.566 0 40 HJAB O=C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408649898 ANGQKAIHXKIXHI-IBGZPJMESA-N 405.881 4.889 0 40 HJAB COC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(Oc3ccccc3)cc2)cc1 408822244 BSPVAHSGNRADJL-UHFFFAOYSA-N 403.434 4.867 0 40 HJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1c(OC)ccc2ccc(OC)cc12 409372464 ZIGSLBTVUHGBQZ-HXUWFJFHSA-N 410.495 4.625 0 40 HJAB O=C(c1cccnc1)N1CCCCCCCNCc2cc(-c3cccnc3)ccc21 643574119 CPWKEYZAVHDSQD-UHFFFAOYSA-N 400.526 4.844 0 40 HJAB O=C(Nc1ccn(CC(F)(F)F)n1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 676506536 LORNXHWYEGZVJF-UHFFFAOYSA-N 411.387 4.550 0 40 HJAB COc1ccc(-c2nc(-c3cccc4[nH]ccc34)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547205983 MGSIEPSPPBXRPV-UHFFFAOYSA-N 413.433 4.868 0 40 HJAB biogenic COC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2ccccc2C)c1C 778367 STNWWWONPACJHR-UHFFFAOYSA-N 414.508 4.718 0 40 HJAB Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4ccco4)C[C@H]3c3ccco3)sc2n1 1016807 VSKCVHOPJHYZTR-AWEZNQCLSA-N 406.467 4.673 0 40 HJAB Cc1cc(C)cc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1 1380004 SRBLVPGKFHTEFV-QHCPKHFHSA-N 417.509 4.738 0 40 HJAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 2621140 GFZYHPGOTUZNFY-QGZVFWFLSA-N 406.555 4.829 0 40 HJAB CCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1cccs1 2784334 JYKUHMUNEBRPPI-UHFFFAOYSA-N 411.523 4.863 0 40 HJAB CC(C)c1ccccc1-n1c(SCC(=O)C(F)(F)F)nc2ccccc2c1=O 3222004 ACLYMJGFQVPXLU-UHFFFAOYSA-N 406.429 4.733 0 40 HJAB O=C(CCCc1nc2ccccc2s1)OCC(=O)c1ccc(Br)s1 3293705 ACGYXCKDQNRRMQ-UHFFFAOYSA-N 424.341 4.869 0 40 HJAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1I 3324997 WHSOHRLMXDLDPN-UHFFFAOYSA-N 406.248 4.667 0 40 HJAB O=c1cc(CSc2nnc(-c3ccc(F)cc3)c3ccccc23)nc2sccn12 3410268 GRLQWDXWIJKVIY-UHFFFAOYSA-N 420.494 4.798 0 40 HJAB Cc1ccc2cc(CCNC(=S)Nc3ccc(Cl)c(Cl)c3)c(=O)[nH]c2c1 4033710 FGVRTMZJUKWRQD-UHFFFAOYSA-N 406.338 4.672 0 40 HJAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc2ccccc12 4742038 WWVLIWSKVOCZPP-HSZRJFAPSA-N 413.477 4.668 0 40 HJAB O=C(N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)C12CC3CC(CC(C3)C1)C2 4782354 YUGFLWOBAIZIFD-FOGJEEJESA-N 409.505 4.798 0 40 HJAB CCOc1ccc2nc3sc(C(=O)Nc4cccc(C(C)=O)c4)c(N)c3cc2c1 4848833 PLSBMPBJLFOBRP-UHFFFAOYSA-N 405.479 4.885 0 40 HJAB O=C(NCc1ccccc1)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F 4952967 CJBFKAWJPQWQGP-HOCLYGCPSA-N 406.433 4.535 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)cc1OC 6334047 FCWCTDVQCHHIAI-UHFFFAOYSA-N 406.410 4.681 0 40 HJAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ncccc3C)[C@@H]2c2cccs2)cc1 6604516 FCSYWOUWMQJFTQ-WIYYLYMNSA-N 405.523 4.883 0 40 HJAB COc1cc(/C=C/C(=O)Nc2ccccc2Cc2ccccc2)cc2c1OCCO2 7212512 NVRZJEOVMXPNJZ-VAWYXSNFSA-N 401.462 4.709 0 40 HJAB Cc1ccc(COc2c(Br)cc(Br)cc2C(=O)O)cc1 7603889 WCFRAZFVWRGLRB-UHFFFAOYSA-N 400.066 4.797 0 40 HJAB CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nnc1C1CC1 7618322 FTFYSJCPZUVFKW-UHFFFAOYSA-N 400.573 4.679 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c(C)n1C 7790295 QMZFIXFGRFGEGT-UHFFFAOYSA-N 405.527 4.692 0 40 HJAB COc1ccc2cc(CN(C)[C@H](C)C(=O)Nc3cc(Cl)ccc3OC)ccc2c1 7926707 ALTVKQYTTRZLEM-OAHLLOKOSA-N 412.917 4.969 0 40 HJAB O=C(O)COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2Cl)cc1 8703678 UUEWJYJPTPVFAS-NRFANRHFSA-N 408.841 4.575 0 40 HJAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCN(c4ccccc4)CC3)cccc2c1=O 9344106 HIYMYXVJSYBSMS-UHFFFAOYSA-N 424.500 4.731 0 40 HJAB CNc1nnc(SC2=C3CCCC[C@@]3(c3ccccc3Cl)N(C)C2=O)s1 9365962 WBXXKXKURRVORM-SFHVURJKSA-N 406.964 4.521 0 40 HJAB Cc1cc(C)nc(O[C@H](C(=O)O)C(OCC(C)C)(c2ccccc2)c2ccccc2)n1 9514017 BSTDTMTYEAJBGB-JOCHJYFZSA-N 420.509 4.542 0 40 HJAB O=C(NCc1ccccc1)c1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1 9952043 UICRUOHGMHBNCU-UHFFFAOYSA-N 419.868 4.899 0 40 HJAB CCOc1cc(C(=O)Nc2cc3c(cc2Cl)OCCO3)cc(OCC)c1OCC 10997565 QPVOIAHBSBLRQL-UHFFFAOYSA-N 421.877 4.560 0 40 HJAB COc1ccccc1[C@H](NC(=O)c1oc2ccc(Cl)cc2c1C)c1nccn1C 12602096 PSAFWWYUCPAMES-IBGZPJMESA-N 409.873 4.656 0 40 HJAB COc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc(OC)c1Br 12867669 JQZIFEVQBUPFKA-NSHDSACASA-N 404.260 4.704 0 40 HJAB CCCc1noc([C@@H](C)Sc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)n1 12982083 VMMBCHUEWRZMTH-SNVBAGLBSA-N 416.503 4.980 0 40 HJAB COc1ccc(-c2noc(CCC(=O)NC(c3ccccc3)c3ccccc3)n2)cc1 14063029 CKSFQOVEQILCEW-UHFFFAOYSA-N 413.477 4.584 0 40 HJAB CS(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cc1 14377402 QBMQUZDSRWYYPT-UHFFFAOYSA-N 424.503 4.744 0 40 HJAB Cc1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)c2c(C)nn(-c3ccccc3)c2n1 17093091 VDIRREDBMVOYED-UHFFFAOYSA-N 422.492 4.784 0 40 HJAB Cc1ccc(C2(CNC(=O)c3sc(Cc4ccccc4)nc3C)CCOCC2)cc1 19208699 JGGVYIZPGVWSDH-UHFFFAOYSA-N 420.578 4.829 0 40 HJAB COC[C@H](C)n1c(C)cc(C(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)c1C 19298308 CUGXUHLLOBSMHC-AWEZNQCLSA-N 401.507 4.817 0 40 HJAB COC(=O)c1c(-c2cccs2)csc1NC(=O)COc1cc(C)cc(C)c1 21785461 OPPNXDTXCSHMAX-UHFFFAOYSA-N 401.509 4.898 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2ccc(C(C)C)cc2)cc1 22275705 SFAWCXAGQXWWJH-UHFFFAOYSA-N 422.550 4.952 0 40 HJAB COc1ccc2nc(NC(=O)c3ccccc3OCc3csc(C)n3)sc2c1 23077888 RTVJHKYMGKWAEF-UHFFFAOYSA-N 411.508 4.901 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 24398259 JJNHWHKOFCBDAK-MRXNPFEDSA-N 404.539 4.605 0 40 HJAB C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1nc(N)nc(N(C)C)n1 24891523 ZBQOCVOGKONZDL-AWEZNQCLSA-N 418.526 4.695 0 40 HJAB O=C(Cc1ccc(Br)cc1)Nc1cnn(Cc2ccccc2Cl)c1 27920835 LMUIHXJGWSHCOQ-UHFFFAOYSA-N 404.695 4.529 0 40 HJAB CN1C(=O)c2ccccc2[C@H](C(=O)Nc2nc3ccccc3s2)[C@@H]1c1ccccc1 36354908 MEXCUENPHMSICU-SFTDATJTSA-N 413.502 4.846 0 40 HJAB COc1cc(OC)c2[nH]c(C(=O)Nc3cc(F)ccc3OCC(F)(F)F)cc2c1 36398201 QGZFNFSCNLSINL-UHFFFAOYSA-N 412.339 4.518 0 40 HJAB O=C(Nc1ccccc1SCC(F)(F)F)c1cccc(CN2CCCC2=O)c1 36660957 XDUVDMLTAVQQFM-UHFFFAOYSA-N 408.445 4.716 0 40 HJAB Cc1cc2occ(CC(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)c2cc1C(C)C 39563754 WQNOCRUTUOHWKA-UHFFFAOYSA-N 414.546 4.923 0 40 HJAB O=C(Nc1ccccc1Br)C1CCN(Cc2cccc(Cl)c2)CC1 39757453 WCWWWHCKHKYUEA-UHFFFAOYSA-N 407.739 4.953 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccccc2C)CC1 44855372 HPGOXJULCLXKHY-HSZRJFAPSA-N 406.570 4.934 0 40 HJAB CCOc1ccc(CNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1OCC 44905197 JEPVLAYKXMXBPH-IBGZPJMESA-N 410.558 4.646 0 40 HJAB COc1ccccc1-c1c(C)oc2c3c(ccc2c1=O)OCN(Cc1cccnc1)C3 54313316 IKLGWYHWJUBCNM-UHFFFAOYSA-N 414.461 4.524 0 40 HJAB biogenic CCOc1cc([C@@H]2NCc3cc(OCC)c(OCC)cc3-n3cccc32)ccc1OC 55008575 ARBJEHCUMUOEKN-VWLOTQADSA-N 422.525 4.875 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 57363145 FCRXLAYKEIGZOU-UHFFFAOYSA-N 416.447 4.578 0 40 HJAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccc4c(c3)CCC4)n2)cc1 67257759 FRVPTOBZMLNBAT-UHFFFAOYSA-N 405.523 4.680 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCC(C)CC2 71327889 GWBPCHHJEHVZNV-UHFFFAOYSA-N 423.944 4.825 0 40 HJAB Cc1ccccc1[C@H](O)CNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 95465230 MRPHHDIJVGXWPB-BBTUJRGHSA-N 411.933 4.648 0 40 HJAB COc1ccc(NC(=O)CN[C@@H](C)c2nc3ccccc3n2C(C)C)cc1Cl 95941373 OXXBEBBLTYZMHE-AWEZNQCLSA-N 400.910 4.569 0 40 HJAB CCn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)c(C)n1 118916073 KQSUPNWTORYXDA-AIBNZWSESA-N 412.618 4.969 0 40 HJAB Cc1cc(OCC(=O)NCCSCc2c(F)cccc2Cl)ccc1Cl 218937305 PPWILSLXKSYKCF-UHFFFAOYSA-N 402.318 4.869 0 40 HJAB Cc1ccc(CN(C(=O)Cc2c(F)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 222783324 GQTSNJLBOZTRLH-INIZCTEOSA-N 418.940 4.662 0 40 HJAB C[C@H](C(=O)NCc1ccco1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222843194 QUVHQLIOGKGOLG-GOSISDBHSA-N 424.928 4.599 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1nccs1 222908377 VTSFDJZNYBVDGW-RBUKOAKNSA-N 411.600 4.574 0 40 HJAB O=C(NCCSc1nc(-c2ccccc2)n[nH]1)C(c1ccccc1)c1ccccc1 222935303 SHVIAIFVPLOPLB-UHFFFAOYSA-N 414.534 4.512 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 223268458 DCGVYPUXXZHTSM-OAQYLSRUSA-N 414.977 4.913 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(CC)cc1 223643773 VKFRIYHXMSXBSJ-DEOSSOPVSA-N 424.585 4.660 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 223818115 WKJKLCIPOJLNOM-HSZRJFAPSA-N 412.549 4.709 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 224238857 VSEZZRVMSVENCZ-XMMPIXPASA-N 422.569 4.548 0 40 HJAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1ccccc1OC 224577942 FQOHBBNLHDNQER-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1cccc(OC)c1 224589071 KVMJEGDBGJXWHZ-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Br)c(C)c2)cc1 225265648 OKPFTHCUXGYJPC-CYBMUJFWSA-N 409.349 4.520 0 40 HJAB O=C1CCCN1c1cccc(NC(=S)NCCSCc2cccc(Cl)c2)c1 225300901 AGSGOWASHXGGJE-UHFFFAOYSA-N 420.003 4.687 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 225585820 GQYZGYFGMNPPEN-QPPBQGQZSA-N 408.586 4.876 0 40 HJAB CCCOC1(C(=O)Nc2ccc(OCCN3CCC[C@@H](C)C3)cc2)CCCCC1 225657114 KSEANVLOFORWCB-HXUWFJFHSA-N 402.579 4.865 0 40 HJAB CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)cc1 225829099 DCOBVRLCRTUFQD-UHFFFAOYSA-N 415.449 4.638 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccnc4)c3C)N21 260769254 LAPFCBLMMRWYFI-WTNAPCKOSA-N 403.555 4.864 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(C(=O)O)cc3)N21 260771919 LZYVFQPTGVJUOK-HBGVWJBISA-N 418.522 4.550 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2Cl)c(C)c1 408546631 GFIYIHXNRFWHGJ-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1OC 408559254 YUIUVVVCUBWBJQ-UHFFFAOYSA-N 424.472 4.863 0 40 HJAB COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(F)cc1 408621971 OBBGIPUZSCBLTQ-UHFFFAOYSA-N 403.045 4.612 0 40 HJAB Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Br)c(C)c2C)CC1=O 408639118 FHTUPNIUUJZWMV-INIZCTEOSA-N 415.331 4.674 0 40 HJAB Cc1ccc(COc2ccc(C[C@H](C)NC(=O)c3cccc4nccnc34)cc2)cc1 1125747340 MAXJYEGBWPCWRS-IBGZPJMESA-N 411.505 4.878 0 40 HJAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCCC4)c(Cl)c3N2)cc1 674727 JAVAKKPXOILVBX-KBPBESRZSA-N 412.843 4.741 0 40 HJAB Cc1ccc2[nH]c(=O)c(CN(C(=S)NCc3ccccc3)C3CCCC3)cc2c1 1224155 CSLUCZWEKIFDTG-UHFFFAOYSA-N 405.567 4.656 0 40 HJAB COc1ccc(OC)c(NC(=O)c2sc3nc4c(C)cc(C)cc4cc3c2N)c1 1342950 XOZPUPYZBSCKQL-UHFFFAOYSA-N 407.495 4.918 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 1389898 SBNBABZHHCTYEC-MRXNPFEDSA-N 424.309 4.569 0 40 HJAB CCc1cccc(CC)c1NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1 3219386 IXUMPXJWJJDLPN-UHFFFAOYSA-N 403.906 4.804 0 40 HJAB C[C@@H](NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 3275525 DVIIXVHWFKZWHD-GOSISDBHSA-N 410.473 4.936 0 40 HJAB CCCCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1C 4062263 LMIVCXRBWZVVLS-UHFFFAOYSA-N 410.568 4.893 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)/C(=C\c1ccco1)NC(=O)c1ccsc1 4537826 JLQJFOUXHPRSDP-MHWRWJLKSA-N 406.385 4.770 0 40 HJAB COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 4816630 DCDZGOLVCLLEFF-NHCUHLMSSA-N 408.477 4.539 0 40 HJAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 4835713 QUYJHTSIMUXNJU-LJQANCHMSA-N 406.555 4.818 0 40 HJAB Cc1ccc(S(=O)(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c(C)c1 5108318 QKIBFQNXSDMMOJ-UHFFFAOYSA-N 420.987 4.910 0 40 HJAB CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)c4cc5ccccc5o4)c(=O)c23)C1 5183066 NHTMJPIVPMVGNN-AWEZNQCLSA-N 421.522 4.633 0 40 HJAB CCC(CC)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccc(Br)cc1 5642593 VGNMPKDLHTWXRG-HNNXBMFYSA-N 410.337 4.724 0 40 HJAB COc1ccccc1NC(=O)CNc1ccc(Br)c(C(F)(F)F)c1 5689443 LSJHYLILHBDUIA-UHFFFAOYSA-N 403.198 4.527 0 40 HJAB O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)[C@@H]1COc2ccccc2O1 7596290 NXPMWAARBGRMBN-FQEVSTJZSA-N 402.475 4.666 0 40 HJAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)c1cccc2ccccc12 8919924 TWTRJPZFVGDNKP-GDLZYMKVSA-N 421.909 4.694 0 40 HJAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(F)cc3)c3ccccn23)cc1C 9317028 IFAVEBPRBNIJSA-UHFFFAOYSA-N 401.441 4.761 0 40 HJAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CC(=O)N(C)C)cc1 9614575 VRIQPWZFOYSTIL-AREMUKBSSA-N 423.516 4.777 0 40 HJAB COc1cccc(N(C(=O)[C@H]2COc3ccccc3O2)c2nc3ccccc3s2)c1 9949733 LATXSIVTJHLEDU-HXUWFJFHSA-N 418.474 4.810 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc(C)c2)cc1 10060295 CKBIRYADFKQQJG-RPWUZVMVSA-N 424.504 4.976 0 40 HJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cc(C)ccc2C)cc1 11115972 MZIHDMHFXOJRJE-YADHBBJMSA-N 407.539 4.820 0 40 HJAB CCOC(=O)c1cnc2c(C(=O)OC)cccc2c1Nc1ccc(N(CC)CC)cc1 12082532 VVPLYMVSNOPTHR-UHFFFAOYSA-N 421.497 4.788 0 40 HJAB Cc1ccc2occ(/C=C\c3nc4ccccc4c(=O)n3-c3ccccc3)c(=O)c2c1 12462590 ROIUIEJEXKFFEM-OWBHPGMISA-N 406.441 4.971 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12976464 NSDLREZIKZQQAZ-JRUMVTRASA-N 404.913 4.625 0 40 HJAB COc1cccc(-c2nnc(SCC(=O)Nc3c(Cl)cccc3Cl)n2C)c1 13134679 PXCFOLDMADDMBW-UHFFFAOYSA-N 423.325 4.528 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccco1 13512032 RTIJITLDRZJOEG-UHFFFAOYSA-N 422.510 4.781 0 40 HJAB O=C(COCC(=O)Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)cc1 13844732 JVLMSMFICOFWKN-UHFFFAOYSA-N 410.857 4.726 0 40 HJAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)Nc1ccccc1C(F)(F)F 14137236 AWKJAJIVRRPNBB-UHFFFAOYSA-N 421.366 4.734 0 40 HJAB Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3ccc4c(c3)OCO4)[C@@H]2c2cccs2)cc1 16018608 YYAHCFSZCUMPQE-HTAPYJJXSA-N 420.490 4.518 0 40 HJAB Cc1cc(NC(=O)CCCc2nc(-c3ccccc3)no2)ccc1Br 16282195 NVPNJDSHPXAUDX-UHFFFAOYSA-N 400.276 4.769 0 40 HJAB CC(C)n1c([C@H](C)NC(=O)C2(c3ccccc3F)CCOCC2)nc2ccccc21 19662226 OKOJLPKGKAJYIW-KRWDZBQOSA-N 409.505 4.682 0 40 HJAB CCOc1ccc(CCC(=O)NCCSc2ccc(Cl)cc2)cc1OCC 20112218 NUCJHUZSIUNSTB-UHFFFAOYSA-N 407.963 4.979 0 40 HJAB O=C(O)COc1cc(NC(=O)c2cccc(Cl)c2)ccc1-c1nc2ccccc2o1 20158306 GCYZKEQIFONHGL-UHFFFAOYSA-N 422.824 4.864 0 40 HJAB O[C@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 20218772 KOVGKDUYQCEDNO-XMMPIXPASA-N 406.957 4.781 0 40 HJAB CCCCC(=O)Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 21576146 OZSDRDKKWUAXRX-UHFFFAOYSA-N 405.498 4.524 0 40 HJAB CC(=O)c1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 22240448 JGIDKTYNEAXCOW-UHFFFAOYSA-N 407.779 4.999 0 40 HJAB Oc1c([C@H](c2cccc(F)c2)N2CCC(Cc3ccccc3)CC2)sc2ncnn12 22609544 KSDZZAVUIVEKKF-FQEVSTJZSA-N 422.529 4.680 0 40 HJAB Cc1sc2ncn(Cc3csc(COc4ccc(Cl)cc4)n3)c(=O)c2c1C 24825676 HBNAQKQZTVAIQX-UHFFFAOYSA-N 417.943 4.812 0 40 HJAB CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nccn2-c2ccc(C)cc2C)cc1 26035516 GSWYQHJFXOGEQK-KRWDZBQOSA-N 407.539 4.661 0 40 HJAB C=CCOc1c(Cl)cc([C@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1OC 33625784 WQCJMKNUUMROOE-KRWDZBQOSA-N 420.918 4.681 0 40 HJAB O=C(CCc1nnc(-c2ccsc2)o1)N1CCCc2cc(C(F)(F)F)ccc21 40069936 AZPHQDKXIFTDFD-UHFFFAOYSA-N 407.417 4.729 0 40 HJAB COc1ccc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c(OC)c1 40143496 ADDZFEDVAXSMRC-UHFFFAOYSA-N 409.667 4.853 0 40 HJAB O=C(NCCCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 44909272 OTHVKVUITKAXNN-UHFFFAOYSA-N 405.369 4.954 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c(C)c1 44948412 DDOKETBOHYQEIZ-SFHVURJKSA-N 408.523 4.595 0 40 HJAB COC(=O)/C=C/c1cc(Br)c(-c2ccc(OC)cc2Br)o1 57353801 VDXNDLFMGHZSOY-GQCTYLIASA-N 416.065 4.666 0 40 HJAB C[C@H](NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 57486761 YAYSKKNISMLGCE-HNNXBMFYSA-N 406.873 4.736 0 40 HJAB Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(N(C)c2ccccc2)nc1 58014253 QPBAFOQIIWEPKZ-UHFFFAOYSA-N 400.457 4.775 0 40 HJAB COc1ccc(NC(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1N1CCCC1=O 58203456 MFPFHQDCQODXLY-IBGZPJMESA-N 401.532 4.792 0 40 HJAB CCOC(=O)c1ccn(-c2cccc(NC(=O)N(Cc3cccc(F)c3)C(C)C)c2)n1 58342912 ABJLILGTXNSDNC-UHFFFAOYSA-N 424.476 4.631 0 40 HJAB O=C(Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1)c1cnsn1 58416947 PGLPBWZGQAUYKE-UHFFFAOYSA-N 404.826 4.510 0 40 HJAB O=C(Nc1ccc(Br)cc1)Nc1nnc(CCc2ccccc2)s1 59498692 IGSJYKWIWKNUMS-UHFFFAOYSA-N 403.305 4.730 0 40 HJAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccccc1SC[C@H]1CCCO1 61395930 TWPOJSCMYQVWIO-MRXNPFEDSA-N 402.903 4.616 0 40 HJAB CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(F)c2)cc1 64872007 ZHHBACBKLQKIEI-UHFFFAOYSA-N 418.515 4.527 0 40 HJAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 71926845 LUMPRFIWSRNSJL-UHFFFAOYSA-N 406.507 4.958 0 40 HJAB Cc1cccc(OCCCNc2cc([C@@H](C)Cn3nc(C)c(C)c3C)nc(C)n2)c1 72373190 XSDOGNHOKRUEPV-KRWDZBQOSA-N 407.562 4.900 0 40 HJAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@@H]1CC(=O)N1CCC[C@H]1C1CCCC1 89800390 IHAMICQVNZUZEK-DOTOQJQBSA-N 412.477 4.690 0 40 HJAB Cc1occc1C(=O)Nc1nc(CC(=O)N2CCC[C@H]2/C=C/c2ccccc2)cs1 96002288 XYXIZFJTTNRKEY-YXBWYFRISA-N 421.522 4.544 0 40 HJAB O=C(c1ccc(COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1)N1CCCC1 102412769 PYCIVKPRSKYPDF-YUOVDFJASA-N 401.934 4.544 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)O)o1 222982384 RLBYFUTVLUVFSA-SFTDATJTSA-N 421.522 4.812 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 223015885 NKKMSRPYQGHURP-HXUWFJFHSA-N 400.906 4.681 0 40 HJAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCC2)c1C 223049346 KZXWQYDJKDGBJR-VXKWHMMOSA-N 412.603 4.624 0 40 HJAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NC(C)(C)Cc1ccccc1 223319949 CZRNSKTWXQORSP-UHFFFAOYSA-N 422.550 4.547 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C(C)C 223456829 QAWFDJCIHSGAQX-FGZHOGPDSA-N 405.571 4.649 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 224511191 XXJBBJSEIWTJRC-LJQANCHMSA-N 414.977 4.505 0 40 HJAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 224562447 AAFQHEKDFRHVTK-RTWAWAEBSA-N 406.555 4.824 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)c1 224848070 QWODUANAFCKYPK-LJQANCHMSA-N 410.533 4.543 0 40 HJAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCCNc1ccccc1 225050059 DEPDEKUZEOQUBD-PKTZIBPZSA-N 419.598 4.939 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)C 225496027 UHHDNNZSLOLQKP-INIZCTEOSA-N 421.368 4.786 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 225585114 HYZSTFPQZZGDFW-AVRDEDQJSA-N 414.977 4.913 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)C 225613296 POWSGQMVBYUULN-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB C[C@@H](NC(=S)Nc1nc(Cl)cc(N2Cc3ccccc3C2)n1)c1ccccc1 225964120 SWKCBEADZBWOBW-CQSZACIVSA-N 409.946 4.698 0 40 HJAB COc1ccc(-c2ccc(C(=O)n3c(C)c(C(N)=O)c4ccccc43)o2)cc1Cl 226764936 WJCHBZJUNHBKSU-UHFFFAOYSA-N 408.841 4.659 0 40 HJAB Cc1noc(=O)c(C)c1-c1ccc(Cl)c(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 245227693 TXBSBCNPDJIUMG-VWNJHIHFSA-N 400.906 4.527 0 40 HJAB O=C(c1ccnc(-c2cncnc2)c1)N1CCC[C@@H](Cc2cccc3cccnc23)CC1 257315396 VBDBAAINPQYNAI-LJQANCHMSA-N 423.520 4.572 0 40 HJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260816965 SQVMYWLVQCQDPP-GBXCKJPGSA-N 404.595 4.967 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 408643935 SAVAFKLRTJYLCJ-INIZCTEOSA-N 415.331 4.620 0 40 HJAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc(C)c1Cl 408703223 OVNVIQQPQUJTGM-MRXNPFEDSA-N 400.906 4.599 0 40 HJAB CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408969615 QTJYFPKBIRXNPK-UHFFFAOYSA-N 405.325 4.504 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)cc1 885985 OAWOJBWJYMRAST-UHFFFAOYSA-N 400.482 4.979 0 40 HJAB CC(C)NC(=O)CSc1nc(-c2ccccc2)nc2c(C(F)(F)F)cccc12 1367937 RETTYIGITFESHF-UHFFFAOYSA-N 405.445 4.932 0 40 HJAB COc1ccc(NC(=O)COc2ccc(-c3nccc(-c4cccs4)n3)cc2)cc1 1383628 LPZUDQAYBMFVKX-UHFFFAOYSA-N 417.490 4.898 0 40 HJAB CCOc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2N=CNC2=N3)cc1 2267687 COKQPBUCEUGRFT-DQEYMECFSA-N 422.488 4.890 0 40 HJAB COc1cccc(-c2nnc(SCC(=O)c3ccccc3)n2Cc2ccco2)c1 2454287 MBLMPILTSCUJPS-UHFFFAOYSA-N 405.479 4.570 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)c(C)c1 2484249 FWRIDIQKCMFWFL-UHFFFAOYSA-N 401.484 4.724 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C 2627820 FHMBETIPQZSLBF-UHFFFAOYSA-N 404.495 4.781 0 40 HJAB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)c1c[nH]c2ccccc12 2638460 WSAOKDJRNCMDSH-UHFFFAOYSA-N 413.300 4.691 0 40 HJAB O=C1c2cc(I)ccc2N[C@H](c2ccco2)N1c1ccccc1 2744848 AXYWKSJOLBWBQC-KRWDZBQOSA-N 416.218 4.655 0 40 HJAB O=C(O)c1ccccc1N(Cc1ccc(Br)cc1)C(=O)c1ccco1 3170789 FSDVXRWSDRYROJ-UHFFFAOYSA-N 400.228 4.587 0 40 HJAB O[C@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1)[C@@H]1CCCCN1 4628938 OCVRKDMRZFCUEE-WMLDXEAASA-N 404.354 4.962 0 40 HJAB in-man CCCCSc1nnc2n(C)c(=O)c3c4c(sc3n12)C[C@H](C(C)(C)C)CC4 4812535 OEIPROWUIQMSEM-GFCCVEGCSA-N 404.605 4.686 0 40 HJAB COc1cccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@@H]2c2ccccc2)c1 4815011 PDWQODMSHOYVKR-DHIUTWEWSA-N 410.477 4.668 0 40 HJAB c1ccc(CC2CCN([C@H](c3ccccn3)c3nnnn3C3CCCCC3)CC2)cc1 4925572 VUORYOXHMJNATO-XMMPIXPASA-N 416.573 4.617 0 40 HJAB CCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 5093388 PDWZNLAZPUUUDZ-HXUWFJFHSA-N 411.933 4.704 0 40 HJAB CCOc1ccc2nc(N(Cc3cccnc3)C(=O)Cc3ccccc3)sc2c1 5141996 KBXGEWCBPZBEEP-UHFFFAOYSA-N 403.507 4.866 0 40 HJAB CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1-c1ccc(OC)cc1 5208348 QKINLBORHBSKNN-UHFFFAOYSA-N 410.543 4.507 0 40 HJAB Cc1cc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c2ccccc2n1 5355820 ODMYUFVKFHKCII-UHFFFAOYSA-N 402.450 4.643 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2cccc(Cl)c2)NC(=O)N1 5517143 AJEAPPDLNAZKFB-MRXNPFEDSA-N 409.795 4.625 0 40 HJAB CCCOc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 6241149 DBBAADDBUMFTHI-UHFFFAOYSA-N 408.420 4.583 0 40 HJAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 6635804 ZRNRPCTXMNDZJT-ALFJJAPYSA-N 404.340 4.838 0 40 HJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCC(Cc2ccccc2)CC1 8072065 SPUHGEPVZAMXSL-UHFFFAOYSA-N 409.917 4.804 0 40 HJAB CN1CCCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)CC1 8178097 QPUSXLSEQTZOLP-UHFFFAOYSA-N 401.539 4.562 0 40 HJAB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3)cc2O)cc1 8188571 PUWKEQCXIOYTQK-UHFFFAOYSA-N 418.493 4.960 0 40 HJAB O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1 8690620 HXSAHKKWGGPJGF-UHFFFAOYSA-N 416.688 4.988 0 40 HJAB CCCCn1c(SCC(=O)N(C)c2ccccc2)nc2sc(C)c(C)c2c1=O 9513618 MDKDRNHEWITHAD-UHFFFAOYSA-N 415.584 4.630 0 40 HJAB C[C@H](C(=O)N1CCN(c2ccccn2)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9532119 NNOLECZHTOPCSO-INIZCTEOSA-N 418.928 4.822 0 40 HJAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 9576908 AFXUFHAXXJXVPR-OAHLLOKOSA-N 400.507 4.929 0 40 HJAB C[C@H](NC(=O)CCCSc1nc2ccccc2s1)c1ccc2c(c1)OCO2 10959741 PYFWWXSQKUKTOM-ZDUSSCGKSA-N 400.525 4.775 0 40 HJAB COc1ccc2nc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)cn2n1 11693404 NBHBTMQPISWKDG-UHFFFAOYSA-N 413.264 4.964 0 40 HJAB CC(C)OC(=O)Cn1c(SCCOc2ccccc2Cl)nc2ccccc21 12062277 KLGLSYSIRMUJTL-UHFFFAOYSA-N 404.919 4.812 0 40 HJAB CC(C)(C)C(=O)N[C@H](c1nccs1)C1CCN(Cc2cccc(F)c2F)CC1 12365696 GNYIVBSNHQSCFP-SFHVURJKSA-N 407.530 4.537 0 40 HJAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c1 13004503 PWOKMRBNKFFFQP-OAHLLOKOSA-N 403.526 4.620 0 40 HJAB Cc1cc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)c(C)n1C[C@H]1CCCO1 13041446 CMEBMQWLJWJZHV-OAHLLOKOSA-N 417.481 4.938 0 40 HJAB Brc1cncc(-c2nnc3sc(-c4ccc5ccccc5c4)nn23)c1 13684585 FAUAIENUWCMIHO-UHFFFAOYSA-N 408.284 4.831 0 40 HJAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(I)cc1 13708946 JRMOOBSERZCCTC-ZDUSSCGKSA-N 417.246 4.850 0 40 HJAB CCCCc1ccc(NC(=O)[C@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 13714802 CXZWOFCWEHUYGW-FQEVSTJZSA-N 422.978 4.866 0 40 HJAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3Cl)cc2)cc1 13899857 YDPZPWZJNQMDGI-UHFFFAOYSA-N 408.837 4.907 0 40 HJAB CCn1c(SCC(=O)Nc2cccc3cccnc23)nnc1-c1cccc(C)c1 14093424 JECZBXOKALQILD-UHFFFAOYSA-N 403.511 4.552 0 40 HJAB C[C@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)Nc1ncc(Cl)cc1Cl 14854936 AOMYBDLNXJIQCH-GUOLPTJISA-N 416.264 4.520 0 40 HJAB CCOc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccsc2)cc1 15412313 KVWNRTNBLQXBJB-QHCPKHFHSA-N 420.534 4.885 0 40 HJAB Cc1cc(C)n(Cc2cccc(C(=O)N(Cc3ccncc3)C3CCCCC3)c2)n1 19574490 GZRHGIJQAHRRFO-UHFFFAOYSA-N 402.542 4.918 0 40 HJAB CC(C)n1c([C@@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)nc2ccccc21 19718004 BRHLKRMZAPMYJW-GOSISDBHSA-N 415.541 4.832 0 40 HJAB COc1ccc(C(=O)Nc2cccc(-c3nc4cc(OC)ccc4o3)c2)c(OC)c1 21595673 KPFKQDBBQRPVJJ-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB CCOC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(CCc2ccccn2)C1 25515630 GSFBPPHWYLSFEL-UHFFFAOYSA-N 416.477 4.861 0 40 HJAB COc1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 27992765 HUMAYNJKGUYRQP-UHFFFAOYSA-N 403.434 4.546 0 40 HJAB C[C@H]1CCCN(Cc2csc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)n2)C1 30581014 ZKCIQTZPYGSLNL-INIZCTEOSA-N 421.570 4.690 0 40 HJAB Cc1ncc(NC(=O)[C@@H](C)Oc2ccccc2)n1-c1nc(-c2cccs2)cs1 35682749 GURWOBDOLNLBPL-CYBMUJFWSA-N 410.524 4.772 0 40 HJAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(OC)c(OC(C)C)c2)cc1 36353206 AALPPSPTJOXDPF-GOSISDBHSA-N 407.470 4.800 0 40 HJAB Cc1nn(C)c2ncc(C(=O)Oc3ccc(-c4nc5ccccc5s4)cc3)cc12 40040236 ISZIPPGPBSWBBF-UHFFFAOYSA-N 400.463 4.773 0 40 HJAB COCCn1c(SCc2cc(Cl)c3c(c2)OCCCO3)nc2ccccc21 48231500 MTOYCANJNHKKPZ-UHFFFAOYSA-N 404.919 4.790 0 40 HJAB c1ccc(Oc2ccc(Nc3nnc(SCc4nnnn4C4CC4)s3)cc2)cc1 48324486 DIXHRPFGBVERIO-UHFFFAOYSA-N 423.527 4.688 0 40 HJAB Cc1ccc2c(Nc3cccc(Br)c3)c(C(=O)N3CCCC3)cnc2n1 49004631 HLVYWOYCBOQRFP-UHFFFAOYSA-N 411.303 4.680 0 40 HJAB C[C@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 57015937 KIHKEBIYSKTKBZ-CVDCTZTESA-N 420.582 4.822 0 40 HJAB COc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)c1 57486691 QKSDAVVXURPXHQ-UHFFFAOYSA-N 408.845 4.506 0 40 HJAB COCc1nccc([C@@H]2CCCN(Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)C2)n1 58196084 RTVLUNYFZQBGNR-GOSISDBHSA-N 421.541 4.541 0 40 HJAB Cc1ccc([C@H](F)[S@](=O)(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 71256994 QYIORVVFWWAAOH-IBVKSMDESA-N 403.500 4.879 0 40 HJAB O=S(=O)(N=[S@@](=O)(c1ccccc1)[C@H](F)c1ccc(F)cc1)c1ccccc1 71256997 IHWFQFUWDRMVGN-AFMDSPMNSA-N 407.463 4.710 0 40 HJAB COCCn1ccc2c(NC(=O)c3cn(CC(C)C)c(=O)c4ccccc34)cccc21 72324843 PJOZUEDTRSGTOH-UHFFFAOYSA-N 417.509 4.511 0 40 HJAB biogenic Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 72346003 AEHFSOOELLJVHW-LJQANCHMSA-N 420.944 4.718 0 40 HJAB Cc1c(CN2CCC(c3cc(O)nc(-c4cccnc4)n3)CC2)[nH]c2ccc(F)cc12 72392785 QFEFGULRCRKTLO-UHFFFAOYSA-N 417.488 4.553 0 40 HJAB O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77177401 UKEPMPCRAIMREZ-CYBMUJFWSA-N 424.457 4.612 0 40 HJAB CC(=O)c1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)c2ccccc2OCC(C)C)c1 95405973 ZLHDWNBAIMFAIT-QFIPXVFZSA-N 424.541 4.766 0 40 HJAB Cc1csc(CN(C)C(=O)[C@@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)n1 95465661 CWJWWHNDQUAONR-HUUCEWRRSA-N 402.951 4.914 0 40 HJAB NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)CC2CCCCC2)CC1 100688345 ZRFSBZGYSKVBSY-CALCHBBNSA-N 413.587 4.756 0 40 HJAB CCOc1ccc(C2=C[C@H](c3ccccc3OC(F)F)n3ncnc3N2)cc1Cl 101642201 LBNXFUCQEXCYLU-MRXNPFEDSA-N 418.831 4.988 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](O)([C@H](C)OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 118928449 RHKDPTWPOLFLCS-DBLKQWTHSA-N 418.574 4.564 0 40 HJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3Cl)N21 222687417 NKQQZKHJKSDOBJ-GESALYCCSA-N 403.935 4.732 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 223082368 DERPUIWQPIULDT-HOTGVXAUSA-N 421.368 4.868 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 223207109 IXKPPDWYETVGQC-NRFANRHFSA-N 414.977 4.913 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 223717820 OVZYFEDHXRPKRK-NRFANRHFSA-N 414.977 4.647 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc12 223884405 PIVXVHZGWWVFOG-LJQANCHMSA-N 420.528 4.855 0 40 HJAB Cc1ccc(C2(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CCOCC2)cc1 224994256 FMQNCTAHMACHDG-UHFFFAOYSA-N 401.934 4.670 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)N[C@@H](C)CC)cc1 225124427 ATNAGHLWQQXLFO-SFTDATJTSA-N 408.586 4.822 0 40 HJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1F 225457284 HWQRGNYLVGNMHC-ZDUSSCGKSA-N 408.926 4.879 0 40 HJAB O=C(CSc1nnc(COc2ccccc2F)o1)Nc1cccc2ccccc12 408527344 MUWBYWVWNTWBPZ-UHFFFAOYSA-N 409.442 4.672 0 40 HJAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCCC(=O)Nc1ccccc1Cl 408663942 ICRUAKRRXPNRKJ-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cc(C)ccc2C)cc1 409168386 QWRLSDXFNMLYDN-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1 409338342 IDQPOIRCTQUQQF-UHFFFAOYSA-N 417.918 4.904 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 409340641 AEOQGPBTYTYBOV-LZYBPNLTSA-N 421.305 4.977 0 40 HJAB C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 605366380 FPGROVTUBWBEPG-RVKKMQEKSA-N 410.518 4.928 0 40 HJAB CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 649375 GUHWPBUDTRNFRY-UHFFFAOYSA-N 423.586 4.875 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nnc2c(C)cc3cc(C)cc(C)c3n12 929748 HNVVYZBTSDSSGI-UHFFFAOYSA-N 420.538 4.937 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1nc2cc3c(cc2cc1C)OCO3 929866 LHTINEXNVZAAOE-UHFFFAOYSA-N 416.886 4.665 0 40 HJAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1nc(C(C)(C)C)cs1)OCO3 930049 IRJABLCIHIKVTO-UHFFFAOYSA-N 415.540 4.757 0 40 HJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@H](C(C)C)OC3 1293776 WHJCYBQAHVLWIV-MRXNPFEDSA-N 400.569 4.965 0 40 HJAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(Cl)cc1C 2207057 SRCQOIBHXURNDP-UHFFFAOYSA-N 406.964 4.643 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)c(C)c1 2233829 JWUFXUIBNBNGHL-UHFFFAOYSA-N 422.510 4.835 0 40 HJAB CCCSc1nnc2n(C3CCCCC3)c(=O)c3c4c(sc3n12)CCCC4 2265946 VUXNJZMENVCKHJ-UHFFFAOYSA-N 402.589 4.992 0 40 HJAB Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1C1CCCCC1 2379453 PBHMDSVISPBSQE-UHFFFAOYSA-N 417.488 4.741 0 40 HJAB Cc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(O)c2)cc1 2704525 QGNNASAUWHBAJT-QFIPXVFZSA-N 415.420 4.692 0 40 HJAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc3n(c(=O)c12)CCCCC3 3350835 FSHQANRQJSPCAS-UHFFFAOYSA-N 421.444 4.764 0 40 HJAB Cc1ccnc2nc(C(=O)Nc3nc(-c4ccc(C5CCCCC5)cc4)cs3)nn12 3457906 LBIFDYOBJHVQOG-UHFFFAOYSA-N 418.526 4.856 0 40 HJAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4ccccc4c2)C[S@@](=O)C3)c(C)c1 4224985 PXYDZVBHIIPKRJ-PMERELPUSA-N 415.518 4.657 0 40 HJAB Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc(Cl)cc1)SCC(=O)N2 5047156 QIRBGZKVSKCRII-YJBOKZPZSA-N 405.951 4.750 0 40 HJAB COc1cc2c(cc1NC(=O)CCn1c(=O)oc3ccccc31)oc1ccccc12 5241819 AIEPZZNHHIFKLS-UHFFFAOYSA-N 402.406 4.531 0 40 HJAB C[C@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)c1ccc(Br)cc1 5499413 DWKTZLZYWFEHLQ-ZDUSSCGKSA-N 416.344 4.532 0 40 HJAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc3ccccc3cc2[nH]1 6721155 DDTMOLDTDDSCNC-UHFFFAOYSA-N 405.479 4.624 0 40 HJAB CSc1ccc(CN(C)CC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 7496125 CYRBMSJKIUDCHP-JOCHJYFZSA-N 414.571 4.947 0 40 HJAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 7882323 BXOZHOHVEKYPKG-QGZVFWFLSA-N 404.441 4.918 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](Nc1ccc2c(c1)OCCCO2)c1ccccc1 8346302 MOZXUAGEBCPJNP-DEOSSOPVSA-N 418.493 4.957 0 40 HJAB O=c1/c(=C\c2cc(Cl)ccc2OCc2ccccc2)sc2nc3ccccc3n12 8905121 HTZJSRAXIYYJSX-FYJGNVAPSA-N 418.905 4.689 0 40 HJAB COc1ccc2c(CCNC(=O)c3ccc4nc(-n5cccc5)sc4c3)c[nH]c2c1 9051281 DSQZAZBLUTVJLS-UHFFFAOYSA-N 416.506 4.549 0 40 HJAB COc1cc(NC(=O)CCCSc2nc3ccccc3[nH]2)c(OC)cc1Cl 12529361 FTSWNPGTOIYQAC-UHFFFAOYSA-N 405.907 4.745 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnc(NC[C@@H]2CCCO2)s1 12617663 MFICODBVMIPVNQ-AWEZNQCLSA-N 421.979 4.569 0 40 HJAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCCN1C(=O)c1cccs1 13227561 MZTFKTSYMQBBQX-CQSZACIVSA-N 420.456 4.695 0 40 HJAB CCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c2ccccc21 13590243 PUNQTZWMAFMSOJ-PGMHBOJBSA-N 407.473 4.601 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C 14492846 RKUMHVJOTLVJFU-INIZCTEOSA-N 420.962 4.772 0 40 HJAB CCCCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 15008966 UUDHQOXCLYKKJQ-XMHGGMMESA-N 410.495 4.541 0 40 HJAB O=S(=O)(Nc1ccc(Nc2ncnc3sccc23)cc1)c1ccc(F)c(F)c1 15130181 BXITVQHOUKJDCQ-UHFFFAOYSA-N 418.450 4.514 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2cccc(Br)c2)c1 15828005 VUKNSIWSDGDOBY-UFUQCMIWSA-N 416.315 4.843 0 40 HJAB Cc1noc(C)c1COc1ccc(CC(=O)NCCSCc2ccsc2)cc1 16786416 FQJCAKBXYYEMEW-UHFFFAOYSA-N 416.568 4.524 0 40 HJAB Cc1ccc2[nH]c(C)c(CC(=O)N3CCC[C@@H](c4nnc(-c5ccsc5)o4)C3)c2c1 19220053 JGARTGZOCAXSOX-MRXNPFEDSA-N 420.538 4.845 0 40 HJAB O=C(O)COc1ccc(NC(=O)c2ccccc2)cc1-c1nc2ccccc2s1 20157791 HTZJNAGQQNQMBX-UHFFFAOYSA-N 404.447 4.679 0 40 HJAB O=C1C[C@H](c2ccccc2O)Cc2nc(N3CCC(Cc4ccccc4)CC3)ncc21 20672995 VHUHRTBDPULFRB-HXUWFJFHSA-N 413.521 4.554 0 40 HJAB Cc1ccc(-c2csc3ncc(C(=O)Nc4cc(Cl)ccc4C)c(=O)n23)cc1 20768095 HDKXLFGUWDXGHB-UHFFFAOYSA-N 409.898 4.946 0 40 HJAB CCOc1ccc(-c2noc(CSc3nnc(-c4ccccc4)n3CC)n2)cc1 21168945 ZLEGGJSBZOYPNI-UHFFFAOYSA-N 407.499 4.706 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 21825138 WUKZVUPKNHKEFF-RTBURBONSA-N 420.582 4.740 0 40 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Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc(Br)cnc1Cl 60365147 ITJHOFDLXXMFJZ-UHFFFAOYSA-N 419.666 4.641 0 40 HJAB CCc1ccc(-c2noc(-c3nn(-c4ccc(C)cc4)c(=O)c4ccccc34)n2)cc1 64949628 DWPMVCWZMIOCFC-UHFFFAOYSA-N 408.461 4.974 0 40 HJAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3OC)ccc21 65322212 DURWPHSKLQTBQB-UHFFFAOYSA-N 406.530 4.693 0 40 HJAB Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)NCc1ccc(Cl)cc1 96037599 QDAQZMCGGBOJBY-UHFFFAOYSA-N 417.900 4.809 0 40 HJAB Clc1cccc(Cl)c1[C@H]1C=C(c2ccc(Br)cc2)Nc2nnnn21 101070126 BKAZYQPCOZVMGA-CQSZACIVSA-N 423.101 4.798 0 40 HJAB COc1cc(Br)cc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1ccc(Cl)cc1 101147833 XXXJSYIFOAVBLI-KBXCAEBGSA-N 423.694 4.881 0 40 HJAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101459453 OIGGDHVREQYGHF-ISZNXKAUSA-N 414.288 4.884 0 40 HJAB CCOC(=O)c1cccc(N2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)c1 102716190 AFISKXRMSAPMCU-UHFFFAOYSA-N 405.479 4.753 0 40 HJAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1[C@H]3O[C@@H](c4ccccc43)[C@@H]12 104282778 QYDMDDZUYMHXQJ-RJSFJBSNSA-N 408.108 4.706 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1C 222538760 BBMLXQWSPQXGFD-IBGZPJMESA-N 422.550 4.620 0 40 HJAB CCOc1ccccc1CNC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 223361711 ARQDVSJCAQTCNI-QNGOZBTKSA-N 420.534 4.543 0 40 HJAB Cc1ccc(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1C 224995499 HBWDIZTUUVJBJZ-JOCHJYFZSA-N 420.597 4.755 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1C1CCCC1 225025291 NDIBJCNWMCINAV-RTWAWAEBSA-N 423.973 4.836 0 40 HJAB O=C(c1n[nH]c2ccccc12)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257224861 FDSUXBGNDGQCFJ-HXUWFJFHSA-N 404.445 4.648 0 40 HJAB CCS(=O)(=O)Nc1ccc(NC(=O)NCC[C@H]2C[C@@H](C)CC(C)(C)C2)cc1C 1668316342 IDXYWSCWDVXJLH-WBVHZDCISA-N 409.596 4.731 0 40 HJAB COc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccc(O)cc2)cc1 874361 WWDJPLMBXWOUPU-UHFFFAOYSA-N 417.490 4.624 0 40 HJAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCC(C)C)cc2c1 884593 POEGQFAKEUQQKO-UHFFFAOYSA-N 413.612 4.739 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 904252 AFBBOUKAFHZRPY-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 1165800 AXCHNRUNFMTABU-UDWIEESQSA-N 405.356 4.529 0 40 HJAB CCCCSc1nc(NCCN(C)C)c2c3c(sc2n1)CO[C@](C)(CC)C3 2235087 ZYPAUVBNTWBHEZ-HXUWFJFHSA-N 408.637 4.798 0 40 HJAB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)NCCC1=CCCCC1 2625308 QDNIJCBWQQJLOC-CQSZACIVSA-N 404.967 4.623 0 40 HJAB COc1ccc(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)c(OC)c1 2648067 VMZHULQPQFZAEA-UHFFFAOYSA-N 401.513 4.582 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(O)c2)N1Cc1ccccc1 2704283 FWMLPYMRYUHDOL-OAQYLSRUSA-N 417.848 4.897 0 40 HJAB COc1ccc(-c2nnc(SCc3cc(=O)oc4cc5c(cc34)CCC5)o2)cc1 3357403 OMWCNUZJUFKQLH-UHFFFAOYSA-N 406.463 4.633 0 40 HJAB CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2CC)c1 3548587 YVIIVSHEQYAMFK-UHFFFAOYSA-N 402.560 4.620 0 40 HJAB O=C(CSc1nnc(NC(=O)c2c(F)cccc2Cl)s1)c1ccccc1 4079389 DYPBSILUEPJKQA-UHFFFAOYSA-N 407.879 4.558 0 40 HJAB Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 4341697 KFXKTFCOQUQBHJ-UHFFFAOYSA-N 409.902 4.508 0 40 HJAB Cc1cccc2sc(N(CCN(C)C)C(=O)c3cccc(C(F)(F)F)c3)nc12 4359222 IOKZFFNPPQPMDM-UHFFFAOYSA-N 407.461 4.832 0 40 HJAB CCSc1cccc(C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)c1 4585803 SSUPKMVAVQYGHI-UHFFFAOYSA-N 401.532 4.510 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccoc1C 4860595 WNBGOEATXHVANW-UHFFFAOYSA-N 412.515 4.580 0 40 HJAB CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)on2)c1 5244982 PRZNHFBNQJPPKE-OAQYLSRUSA-N 416.433 4.546 0 40 HJAB CCCCCOC(=O)CSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 5269251 UIXWEUUINOBVNW-UHFFFAOYSA-N 400.544 4.820 0 40 HJAB CC1(C)Cc2c(c(N3CCCC3)nc3sc(C(=O)Nc4ccccc4)c(N)c23)CO1 5304365 UBBHQNULKMIQQI-UHFFFAOYSA-N 422.554 4.582 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 5360000 BCEOQJWYQSMFDQ-UHFFFAOYSA-N 418.975 4.958 0 40 HJAB COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc5c(c4)OCO5)sc3n2)cc1 5611733 JAILFOLJRPCDSU-UHFFFAOYSA-N 404.447 4.514 0 40 HJAB CCCOc1c(Br)cc(C(=O)Nc2ccccc2OC)cc1OCC 6138762 NOODNNMEQMLXAU-UHFFFAOYSA-N 408.292 4.898 0 40 HJAB CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 6387517 XNJPUWABURLDDG-UHFFFAOYSA-N 424.472 4.863 0 40 HJAB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)c1 6967219 GJLXYJUUJUVMFD-WSDLNYQXSA-N 403.457 4.635 0 40 HJAB O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)Nc1ccccc1 7601819 CCQHIQHYILUGJH-UHFFFAOYSA-N 400.409 4.836 0 40 HJAB CCCN(Cc1nnc(-c2ccco2)o1)[C@H](C)C(=O)Nc1cccc2ccccc12 8242425 LPMOGBWGDLAORI-MRXNPFEDSA-N 404.470 4.722 0 40 HJAB CN(CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1cnn(Cc2ccccc2)c1 8327191 GXDFTOBXGNBMHN-UHFFFAOYSA-N 410.521 4.669 0 40 HJAB Cc1cccc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(Br)cc2)c1C 8587458 FYJXEWQNFXNMBL-CYBMUJFWSA-N 416.275 4.522 0 40 HJAB Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3cc(C)ccc3C)ccc1O2 8961314 FQLUHXJWMSCGLL-UHFFFAOYSA-N 408.479 4.771 0 40 HJAB CCOc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1 9134463 FQPUMPVNNCFVCT-UHFFFAOYSA-N 402.450 4.649 0 40 HJAB CSc1cccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)c1 9481058 DUCXMYSXIZYQMS-UHFFFAOYSA-N 410.524 4.681 0 40 HJAB COc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)cc1Cl 9784627 HFESLTLNNXEZBF-UHFFFAOYSA-N 416.890 4.630 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)n2C)cc1 10264464 MOCZVGCGNQMYDT-UHFFFAOYSA-N 402.317 4.528 0 40 HJAB COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccc(OC)c4)=NN23)cc1 12196661 STCGKIDPWPTCEK-RDGATRHJSA-N 416.477 4.955 0 40 HJAB COc1ccc(C(=O)CSc2cc(C)nc(SCC(=O)c3ccccc3)n2)cc1 12491684 ZSMOUHMAGQUMPC-UHFFFAOYSA-N 424.547 4.744 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1Cl 12738645 NAOGEINEHPIGJH-UHFFFAOYSA-N 410.817 4.655 0 40 HJAB Cc1ccc(NC(=O)CN(C)C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1 12997657 WSCXORBJIWFBOY-UHFFFAOYSA-N 413.930 4.791 0 40 HJAB Cn1nc(C(=O)Nc2cc(Cl)ccc2Sc2ccccc2)c2ccccc2c1=O 13001285 SOAONJJIXAOENC-UHFFFAOYSA-N 421.909 4.990 0 40 HJAB Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1C 13070318 CBFHCCJNPQATRI-CQSZACIVSA-N 408.329 4.508 0 40 HJAB Cc1cccc(C)c1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583480 MTDPPZZXDZTKAC-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 14022769 XIFQMSVGRVGKCZ-HSZRJFAPSA-N 402.494 4.721 0 40 HJAB Cc1ccc(-c2c(C)sc3nc(CN4CCn5cccc5[C@H]4C)[nH]c(=O)c23)cc1 14241905 HUIGZGIUGSPWSC-OAHLLOKOSA-N 404.539 4.647 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 17091163 KYPVRHBJSNZMTL-UHFFFAOYSA-N 417.534 4.937 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1)c1cccs1 19348967 FICZDQUATVLFHZ-PGRDOPGGSA-N 409.530 4.666 0 40 HJAB O=S(=O)(c1ccccc1)N1CCc2cc(-c3csc(-c4cccnc4)n3)ccc21 19373691 QRDDYKNQEPQKSO-UHFFFAOYSA-N 419.531 4.624 0 40 HJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCc3[nH]c4ccccc4c3C2)s1 19657661 VYUGFEIZGLABFW-UHFFFAOYSA-N 405.498 4.866 0 40 HJAB COc1ccccc1-c1ccccc1CN(C)Cc1ccccc1N1CCOCC1 19714575 KNCSWWCEMBBQTC-UHFFFAOYSA-N 402.538 4.831 0 40 HJAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)c1ccc(Cl)cc1 19897517 HADPJBSVPSSICF-UHFFFAOYSA-N 400.935 4.847 0 40 HJAB CCOc1cc(CN[C@@H]2CN3CCC2CC3)cc(Cl)c1OCc1ccccc1 20477122 WLWKIDRVXZRMHZ-OAQYLSRUSA-N 400.950 4.502 0 40 HJAB Cn1nnnc1NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 22112038 NQVSCFFLGGLIJN-UHFFFAOYSA-N 414.296 4.861 0 40 HJAB Cc1cccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)c1 27663888 SVCUUCYRFOYSCF-JOCHJYFZSA-N 400.950 4.761 0 40 HJAB CSc1ccc(CN(C)CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 29973777 ZOTDAPMEELAHGW-UHFFFAOYSA-N 406.555 4.542 0 40 HJAB CN(Cc1c(F)cccc1Cl)C(=O)Nc1ccccc1I 32925343 WZJYOLFDFICWAZ-UHFFFAOYSA-N 418.637 4.748 0 40 HJAB O=C(Nc1ccccc1Cl)C(=Cc1csnn1)C(=O)Nc1ccccc1Cl 32925464 DEUPKJBHRJWMQW-UHFFFAOYSA-N 419.293 4.506 0 40 HJAB C[C@H](N[C@H](C)c1ccc(-n2ccnc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 33039568 ORJHHNSALVKOQC-KGLIPLIRSA-N 403.313 4.857 0 40 HJAB CNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(C(F)(F)F)cc3)n2)cn1 35426188 HOVZCUGJYFCXCF-INIZCTEOSA-N 403.408 4.529 0 40 HJAB biogenic,in-vitro COc1c(C)cccc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 41091655 SBLUQQOTYLRITB-CYBMUJFWSA-N 400.544 4.567 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 44901178 PKLCXMPOYGSVLS-FQEVSTJZSA-N 412.873 4.659 0 40 HJAB CCCc1noc(-c2cc(S(=O)(=O)Nc3ccc(C(C)C)cc3)ccc2OC)n1 46020243 DSDFVWOUOLVZBC-UHFFFAOYSA-N 415.515 4.622 0 40 HJAB O=C(OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1c(F)cccc1Cl 51315273 RTYHQZHIZCTYRV-UHFFFAOYSA-N 416.714 4.785 0 40 HJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)N[C@@H](C)c3ccc(C)cc3)n2)cc1 57486878 QFVLJESCLQQEKJ-SFHVURJKSA-N 400.482 4.699 0 40 HJAB COCc1c(C(=O)NC(C)(C)c2ccc3c(c2)OCO3)sc2cccc(F)c12 65622688 HHWNDGSPUGBHEA-UHFFFAOYSA-N 401.459 4.581 0 40 HJAB COc1ccccc1-n1c(SCc2ccc(F)cc2F)nc2ccccc2c1=O 67259560 HDBXRQXHHSSNFK-UHFFFAOYSA-N 410.445 4.965 0 40 HJAB Cn1ccnc1CN1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358136 ILTPZLXLKLKKJJ-HXUWFJFHSA-N 400.448 4.762 0 40 HJAB FC(F)(F)c1cccc(-c2noc([C@H]3CCN(CCOc4ccccc4)C3)n2)c1 72369969 HHLPWIZSOFLNCR-INIZCTEOSA-N 403.404 4.624 0 40 HJAB O=C(Nc1ccc(F)cc1)O[C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccccc3)on2)C1 77200358 ACSSJRQHXHGPQC-RBUKOAKNSA-N 423.444 4.770 0 40 HJAB CCOc1ccc(C2=NCCNC3=C2[C@@H](c2ccccc2)N(c2ccccc2)C3=O)cc1 100306086 SYSCJMXBDNOKNR-AREMUKBSSA-N 423.516 4.520 0 40 HJAB Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@H]2C1=O 102729690 FSNRYIANYKCYPE-YPAWHYETSA-N 418.880 4.700 0 40 HJAB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 216408537 AWLHAIQWTBDMQH-NRFANRHFSA-N 408.523 4.677 0 40 HJAB C[C@@H]1CN(Cc2ccc3oc(-c4ccccc4Br)nc3c2)C[C@@H](C)O1 216827628 YDVJMLRUIYNJNU-ZIAGYGMSSA-N 401.304 4.867 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 223127187 FHMUZYGLURJDRX-SFHVURJKSA-N 414.977 4.647 0 40 HJAB O=C(Nc1cccc2ccccc12)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223916179 QAZNPTMQLYHDCE-UHFFFAOYSA-N 402.475 4.893 0 40 HJAB Cc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1NS(=O)(=O)c1ccccc1 224780411 UENFJRLEAKBFMA-UHFFFAOYSA-N 422.550 4.547 0 40 HJAB COc1ccc(S(=O)(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)c(C)c1C 224816803 VMDDWYYVJXVUCF-IBGZPJMESA-N 415.555 4.817 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 225100985 JOUABTBVAQRWIG-JOCHJYFZSA-N 424.585 4.697 0 40 HJAB O=C(CCc1c(Cl)cccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 225357875 FAAJKXYNZPOUKH-VMPITWQZSA-N 403.353 4.784 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 225574007 IZDCASODRIEZOS-QPPBQGQZSA-N 424.585 4.713 0 40 HJAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(OC)cc2OC)cc1OCC 225749622 UZLFJQKFLMJUQT-AWEZNQCLSA-N 404.532 4.549 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 257302223 SBZXKDMPZXGODT-HSZRJFAPSA-N 424.903 4.608 0 40 HJAB CC(C)Oc1ccc(N2C[C@@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)cc1 408707388 JUCVMDWOAKUVAY-VIQWUECVSA-N 400.563 4.548 0 40 HJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)c1 409166253 CYVHUIGYYBAVIC-CXUHLZMHSA-N 421.305 4.977 0 40 HJAB C[C@H](OC[C@H](O)CN[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(Cl)cc1 538234572 SOSOMHAQINXBRQ-OUVAMTEUSA-N 403.950 4.536 0 40 HJAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3)n2-c2ccccn2)cc1 667967 XJLSLAYYQBPDCX-BZZOAKBMSA-N 401.491 4.659 0 40 HJAB CN(Cc1ccccc1)C(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 827024 HJSXDKRAMASHHQ-UHFFFAOYSA-N 416.428 4.749 0 40 HJAB CCCCOC(=O)c1ccc(N2COc3c(cc4c(CC)cc(=O)oc4c3C)C2)cc1 2118665 QKPYCHRQADYIBN-UHFFFAOYSA-N 421.493 4.977 0 40 HJAB biogenic COc1cc(-c2nc3nc4ccccc4nc3n2CCC(C)C)cc(OC)c1OC 2436872 CZFDWVWWNVVONE-UHFFFAOYSA-N 406.486 4.718 0 40 HJAB Cc1cc(OC(=O)c2ccc(OC[C@H]3CCCO3)cc2)n(-c2ccc(Cl)cc2)n1 3348801 NJMUOJGGWXVXDU-HXUWFJFHSA-N 412.873 4.611 0 40 HJAB CCc1nc(NCCNC(=O)c2ccccc2Cl)c2c3c(sc2n1)CCCC3 4848586 MZXOPNOXSSVORQ-UHFFFAOYSA-N 414.962 4.628 0 40 HJAB CCCCCOc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OCC)cc1 5253923 JFMYOZXGRGXUMJ-HSZRJFAPSA-N 422.525 4.641 0 40 HJAB Cc1ccc(Nc2nc(CSc3nnc(-c4cccc(F)c4)n3N)cs2)cc1 5361456 ARVYLTQICSJDJO-UHFFFAOYSA-N 412.519 4.599 0 40 HJAB O=c1c2ccccc2nc(SCCOc2ccccc2F)n1Cc1ccccc1 5938195 KVVZBWVCFRPXHY-UHFFFAOYSA-N 406.482 4.755 0 40 HJAB CC[C@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2cc(OC)ccc2OC)n1 6005151 CHAKRYQENMOYCY-AWEZNQCLSA-N 403.482 4.929 0 40 HJAB biogenic CCOc1ccc2c(c1)C(c1ccc(N(C)C)cc1)=NN=C(c1ccc(F)cc1)N2 6090209 IURUNSIKKFIBOC-UHFFFAOYSA-N 402.473 4.915 0 40 HJAB Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1CCc1ccc(F)cc1 6177657 INIVFNOGDCKPIG-UHFFFAOYSA-N 419.456 4.798 0 40 HJAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 6571130 LPAMWOMFYWGENP-NVXWUHKLSA-N 412.584 4.783 0 40 HJAB CCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1 6788725 PTXNGNNYZNZJBG-UHFFFAOYSA-N 408.571 4.519 0 40 HJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)OCc2nc(-c3ccsc3)no2)c1 7110142 YROTYTCZVOKHFG-UHFFFAOYSA-N 401.444 4.502 0 40 HJAB Cc1ccc(C(C)(C)C)cc1SCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 7492528 ZSEWKGCOVJUKJF-UHFFFAOYSA-N 423.582 4.821 0 40 HJAB COc1cc(CNCCCn2cnc3ccccc32)ccc1OCc1cccs1 7985258 YFHSHIXHSZAYSP-UHFFFAOYSA-N 407.539 4.865 0 40 HJAB CCc1nnc2sc(-c3cccc(NC(=O)c4cccc(O[C@H](C)CC)c4)c3)nn12 8071535 GDROTFRAWOQLKA-CQSZACIVSA-N 421.526 4.845 0 40 HJAB O=C1c2ccccc2N[C@@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1C1CC1 8156330 ZWCYCRCKNQPOJG-XMMPIXPASA-N 410.477 4.642 0 40 HJAB CSc1cccc(N[C@H]2CC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c1 8826278 XUJXNAVOTXFJJG-AWEZNQCLSA-N 414.836 4.825 0 40 HJAB CSc1ncc(Cl)c(C(=O)Nc2nnc(SCc3cccc(C)c3)s2)n1 9431758 UGWZXHHIAMPGDO-UHFFFAOYSA-N 423.976 4.556 0 40 HJAB O=C(CNc1ccccc1F)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 9531665 LPJAIPOEUQKCJU-IBGZPJMESA-N 403.413 4.955 0 40 HJAB O=C(O)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1 9908251 KNBKEZDFEHKPFC-UNOMPAQXSA-N 422.437 4.551 0 40 HJAB NC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)c1cccs1 10493264 HRHGMMRHHLSPSA-MRXNPFEDSA-N 415.902 4.932 0 40 HJAB CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1OC 11361860 RSJZBLSIKWOXNF-UHFFFAOYSA-N 408.454 4.972 0 40 HJAB CCn1c(CN(Cc2ccncc2)C2CC(C)(C)NC(C)(C)C2)nc2ccccc21 12143709 YAQRWKRRBZWNIC-UHFFFAOYSA-N 405.590 4.763 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1nscc1NCc1ccc2c(c1)OCO2 12428821 LZMRNYDEIDTDTA-UHFFFAOYSA-N 421.400 4.755 0 40 HJAB Cc1ccc([C@]2(c3ccccc3)NC(=O)N(Cc3cccc(Cl)c3)C2=O)cc1C 12594926 IVQRZDDZLQEYEO-DEOSSOPVSA-N 404.897 4.952 0 40 HJAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 12637255 YIRHCVJUFIQXHC-SFHVURJKSA-N 415.468 4.753 0 40 HJAB CC[C@H](NC(=O)/C=C/c1c(C)nn2c(C(F)(F)F)ccnc12)c1ccc(C)cc1 12789978 IDWAPGWXMKZZBN-FVNWOWOISA-N 402.420 4.646 0 40 HJAB C[C@@H](Nc1cccc(CO)c1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 12812551 RXVNVMRAULMMMF-MRXNPFEDSA-N 417.534 4.819 0 40 HJAB Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1C 13039560 CRWGVQSXZAGSFP-CQSZACIVSA-N 408.329 4.508 0 40 HJAB COc1ccc([C@@H]2Nn3c(nnc3C(C)(C)C)S[C@@H]2C(=O)c2ccc(C)cc2)cc1 13150371 BTMRSCOHDHNIBH-ICSRJNTNSA-N 422.554 4.535 0 40 HJAB Cc1ccc([C@](O)(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C(F)(F)F)o1 14241789 HASAMKIVRDSMMV-MGPLVRAMSA-N 410.219 4.912 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccc(C(C)C)cc2)cc1 16838126 BNHSZNBSPFCAIQ-OAQYLSRUSA-N 414.571 4.690 0 40 HJAB CCOc1cc2c(cc1CN[C@@H](Cc1ccsc1)c1nc(C)cs1)OCO2 19532537 NBGRYWZBGKONFC-INIZCTEOSA-N 402.541 4.714 0 40 HJAB Cc1noc2nc([C@@H]3CCCN(Cc4c[nH]nc4C(C)(C)C)C3)cc(C(F)F)c12 19564299 DCIURIMEACDTJB-CYBMUJFWSA-N 403.477 4.869 0 40 HJAB Cc1ncsc1-c1nnc([C@H]2CCCCN2C(=O)c2cccc3c(C)c(C)[nH]c23)o1 19576897 IFAMWDBIESACDU-QGZVFWFLSA-N 421.526 4.967 0 40 HJAB CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN(C(=O)CCC3CCCC3)C2)n1 19694557 LFZHQAOYUINGGB-OAQYLSRUSA-N 406.574 4.886 0 40 HJAB O=C1[C@@H](C2CCN(CCc3ccccc3)CC2)CC=CCN1Cc1ccc(F)cc1 19696287 ZKJFWAZLQOCDDE-RUZDIDTESA-N 406.545 4.685 0 40 HJAB Cc1nn2c(nnc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc32)c1-c1ccccc1 19818921 UWRVMAOXLCFCTO-UHFFFAOYSA-N 422.275 4.711 0 40 HJAB O=C(NCCc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 22504629 CFCGXWCDAJEPAZ-UHFFFAOYSA-N 405.523 4.705 0 40 HJAB Fc1cc2c(c(CSc3nncn3Cc3ccco3)c1)O[C@@H](c1ccccc1)OC2 25078771 UYFFOEWFTQVVJE-NRFANRHFSA-N 423.469 4.959 0 40 HJAB COc1ccc(CNC(=O)c2ccc(COc3cccc4ccccc34)o2)cc1OC 28304372 QMICOWXUYKBYBB-UHFFFAOYSA-N 417.461 4.959 0 40 HJAB O=C(Nc1ccccn1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 32101098 GNJREKXFLCAIMQ-JOCHJYFZSA-N 403.526 4.905 0 40 HJAB Cc1cccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)c1C 33089185 FHEOWMDIUJMSGC-LBPRGKRZSA-N 411.299 4.750 0 40 HJAB Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCc3ccccc3C2)[nH]n1 38651925 MBCQQKKZTHSQSG-UHFFFAOYSA-N 418.497 4.846 0 40 HJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 40108867 PXLNDZANKJNTCT-SFHVURJKSA-N 424.522 4.510 0 40 HJAB NC(=O)N[C@H](CC(=O)Nc1ccccc1Cc1ccccc1)c1ccc(Cl)cc1 40159514 AJILUWYDGBKFQH-OAQYLSRUSA-N 407.901 4.669 0 40 HJAB O=C(COc1ccc(Cl)cc1Br)N1CCC(Cc2ccccc2)CC1 59489250 MINPYRZTFPIOOW-UHFFFAOYSA-N 422.750 4.963 0 40 HJAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2sc(-c3ccc(C)cc3C)nc2C)C1 60360703 HPBRJHOEDDJZKY-SFHVURJKSA-N 413.587 4.504 0 40 HJAB Cc1cc(NC(=O)C2(OC(=O)C(c3ccccc3)c3ccccc3)CCCCC2)no1 65674476 RIGVWDXKHZEZHL-UHFFFAOYSA-N 418.493 5.000 0 40 HJAB COc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccn1 67296387 CLIWJOILASEVPC-LVWGJNHUSA-N 405.841 4.975 0 40 HJAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc(C(F)(F)F)c1 71980484 MCVUZFXJKQJAKZ-FXUPRZHBSA-N 413.436 4.564 0 40 HJAB CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Nc2ccc(F)cc2)c2ccncc12 72275045 KEGHFWJQQUFMPG-QFIPXVFZSA-N 420.488 4.703 0 40 HJAB CCc1cc(=O)n2nc(N[C@@H]3CCCC[C@@H]3c3ccc(C(F)(F)F)cc3)sc2n1 72310219 NRMIPQRDCKHRJQ-HZPDHXFCSA-N 422.476 4.871 0 40 HJAB COc1cccc(C(=O)N2CCC(c3ccc(Nc4cccc(C)n4)cn3)CC2)c1 72374164 GZTBEMQLMSQLRA-UHFFFAOYSA-N 402.498 4.557 0 40 HJAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)CCc2ccc(F)cc2)n1 72377258 GIVYPLPJMJDAFR-NRFANRHFSA-N 422.479 4.690 0 40 HJAB Cc1cccc(CN(CC(=O)Nc2ccc(F)c(Cl)c2)Cc2cccc(C)n2)n1 79052050 DOAHLESYSHVHPE-UHFFFAOYSA-N 412.896 4.527 0 40 HJAB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1NN=C1CCCCC1 89793185 KZWOTRDNUFXEMJ-UHFFFAOYSA-N 422.894 4.781 0 40 HJAB O=C(C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21)NCC1CC1 96053085 HSTPBLMEFNOWRZ-LJQANCHMSA-N 410.583 4.565 0 40 HJAB COc1ccc2c(ccn2CCC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c1 96230752 BVMQKRZDVRQOQP-FQEVSTJZSA-N 422.554 4.527 0 40 HJAB CN(C)c1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C(C)(C)C)C2)cc1 97105884 CGCWRVPZTUNZKJ-HXUWFJFHSA-N 419.978 4.619 0 40 HJAB COc1cc(Br)c(CN[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1OC 98081565 RCOZMVOXYMJABW-LJQANCHMSA-N 418.335 4.830 0 40 HJAB O=C1[C@@H]([C@@H](O)c2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1c1ccccc1 100355027 QWZJUFPQEBQGRT-KBPBESRZSA-N 403.187 4.608 0 40 HJAB O=C(Nc1ccccc1)Nc1ccc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 113562075 DMEBVQKMOVCUNZ-HXUWFJFHSA-N 417.490 4.755 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 222856349 CZIIHVDBNOQPET-IFXJQAMLSA-N 403.906 4.843 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 223034439 GUQUCAOMEVPQBG-KRWDZBQOSA-N 420.296 4.826 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)N[C@H](C)CC)cc1 223130319 WATFNSAFMVEJPN-RTBURBONSA-N 412.549 4.653 0 40 HJAB CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223338752 SSZXUGYLEDVVRT-VWLOTQADSA-N 400.522 4.791 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)cc1 224198664 XKFOODMFTRZPBU-LJQANCHMSA-N 422.550 4.620 0 40 HJAB COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1cc(C)cc(C)c1C 224280079 UUQRZEFANDAXFQ-UHFFFAOYSA-N 418.493 4.551 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3ccc(F)cc3)ccc2C)cc1 224307115 OFGROTFYCIVWGE-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(CN2CCCCC2)c1 224682769 ZHBIIKMQYPHPSH-JOCHJYFZSA-N 400.950 4.800 0 40 HJAB CCCCc1ccc(N(CCCC(=O)NC[C@@H](CC)CCCC)S(C)(=O)=O)cc1 224882795 CBIFLZXTJSEEDA-FQEVSTJZSA-N 424.651 4.908 0 40 HJAB COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCC1 225009867 AHEAHFZTJNFQTO-XZOQPEGZSA-N 418.566 4.796 0 40 HJAB Cc1nc(-c2cccc(NC(=S)N[C@H](CC(=O)O)c3ccc(F)cc3)c2)cs1 225218896 FHWNLBPCTCBHPE-QGZVFWFLSA-N 415.515 4.760 0 40 HJAB CC[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 225338056 IGLOBMNCVABMDI-SFHVURJKSA-N 414.354 4.597 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCSCc2ccccc2C)c(C)c1 225362119 NURMUUDDXRIYIP-UHFFFAOYSA-N 402.585 4.700 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 225510951 PLGHVQAXLWNEEN-URXFXBBRSA-N 408.586 4.958 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)c1C 225739486 NMXCTIQUBOYNLT-UHFFFAOYSA-N 424.547 4.529 0 40 HJAB Nc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)ccc1Br 226343795 YWCHWANFDJQOKM-UHFFFAOYSA-N 401.489 4.991 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257253276 JYFMPNOILCGQNI-OAQYLSRUSA-N 412.436 4.676 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)cc1 408639358 FPTJXWZEQSZEIU-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB CC(=O)Nc1cccc(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn23)c1 408680389 YOJLQIZSSJNROI-UHFFFAOYSA-N 411.461 4.695 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCN(CC2CCCC2)CC1 513494549 IMIMIAMOMOGMMA-UHFFFAOYSA-N 401.938 4.688 0 40 HJAB O=C(Nc1cccc2c1CCNC2=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 1678415504 LHWGHZVRJUCZMR-PXNSSMCTSA-N 411.933 4.864 0 40 HJAB FC(F)(F)COc1nc(Nc2cccc3ccccc23)nc(OCC(F)(F)F)n1 851702 YXSLSIHXLYROQD-UHFFFAOYSA-N 418.297 4.651 0 40 HJAB Cc1ccc(O)c(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)c1 866499 KCTYINFBWPAEHI-CJNGLKHVSA-N 422.432 4.871 0 40 HJAB O=C(COC(=O)c1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2ccco2)cc1 992964 ZUGTUVFXSWIEKY-UHFFFAOYSA-N 419.216 4.845 0 40 HJAB COc1cccc(NC(=O)c2sc(NC(=O)c3ccccc3Cl)nc2C)c1 1379028 HZLFSDVLWOXPGN-UHFFFAOYSA-N 401.875 4.618 0 40 HJAB COc1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1F 2630973 IBEOQYJCTVTUIP-UHFFFAOYSA-N 405.878 4.883 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccccc1Cl 2703982 PEJLKWZTEDVZBP-OAQYLSRUSA-N 417.848 4.897 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)CSc4cccc[n+]4[O-])cc3)sc2c1 3222927 WPYFIZCNNCKODI-UHFFFAOYSA-N 407.520 4.636 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCCC1=CCCCC1 3308947 PMXZGIGLSYHYNT-UHFFFAOYSA-N 408.527 4.626 0 40 HJAB O=C(Nc1nc(-c2ccc(I)cc2)cs1)C1CCCCC1 4072473 FYAPXLIGPYETPE-UHFFFAOYSA-N 412.296 4.934 0 40 HJAB COC(=O)c1c(Nc2ccccc2)sc(C(=O)c2ccc(NC(C)=O)cc2)c1C 4661705 FUJWZDYBTZWKLR-UHFFFAOYSA-N 408.479 4.776 0 40 HJAB CCCCOc1cccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 6635732 BNDBPBKKNMOFNP-UHFFFAOYSA-N 414.461 4.918 0 40 HJAB COc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c2C)cc1 6967213 SSUWRESYYAXSNS-OEAKJJBVSA-N 415.493 4.504 0 40 HJAB O=C(NC1CC1)[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1 6977764 GUKUFKIXEQLRRZ-FQEVSTJZSA-N 416.506 4.639 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(C)ccc3C)c2)cc1 7608234 HEECRKQDLNFWHN-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1C 7615989 RSSRGYIWUHDNRQ-UHFFFAOYSA-N 417.896 4.972 0 40 HJAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccco2)cc1C 7779020 CZHXMDYUUVVOQL-UHFFFAOYSA-N 404.495 4.940 0 40 HJAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 8816062 RRJKQJXQGDTJIF-SECBINFHSA-N 401.652 4.778 0 40 HJAB COc1ccc(-c2nnc3sc(COc4cccc5ccccc45)nn23)cc1OC 9430100 GCGJINBSLINHCY-UHFFFAOYSA-N 418.478 4.602 0 40 HJAB Cc1cc(SCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)nc2ccccc12 9466699 DSKFTJNXHVXEPB-KRWDZBQOSA-N 402.523 4.698 0 40 HJAB CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1cc(C)cc(C)c1 9646481 MVMFUVJVLRLHBZ-UHFFFAOYSA-N 407.488 4.635 0 40 HJAB O=C(NC1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1)c1ccccc1 9853218 RZBQIMJRODLKAG-UHFFFAOYSA-N 400.478 4.514 0 40 HJAB C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccc(-n2ccnc2)cc1 9883859 OOEJNFNCFGNAQA-INIZCTEOSA-N 416.506 4.677 0 40 HJAB Cc1ccc([C@@H](C)CCN2CCN(c3c(F)cccc3[C@H](O)c3cccnc3)CC2)o1 12089607 PDANRJHWMXIYOU-AVRWGWEMSA-N 423.532 4.520 0 40 HJAB CCN(CC)C(=O)c1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1 12772883 COLHXMQQWMNZNA-UHFFFAOYSA-N 405.523 4.967 0 40 HJAB CCCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2sc3c(c2c1=O)CCC3 13009276 BZGNPAPXKGADKB-NSHDSACASA-N 404.561 4.716 0 40 HJAB CC[C@@H](CO)Nc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CCC3 13228281 SQXLCCMAPPTYKG-NSHDSACASA-N 402.589 4.756 0 40 HJAB COc1cc([C@H]2CC(=O)Nc3c(-c4ccc(OC)c(OC)c4)csc32)ccc1O 15106970 NHEBUGWPSFIMMS-CQSZACIVSA-N 411.479 4.621 0 40 HJAB Cc1nc(C)c(CC(=O)Nc2nnc([C@@H](C)Oc3cccc(C)c3C)s2)s1 19235690 DOHMVHQJYMAHMC-CYBMUJFWSA-N 402.545 4.549 0 40 HJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3ccncc3)cc2N1 19451210 UJCHFNSLYLTTOD-CGTJXYLNSA-N 421.467 4.589 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)c1 19564226 DZRDLFYHTYMHAK-HNNXBMFYSA-N 417.431 4.539 0 40 HJAB Cc1ncc(CN2CCC[C@@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)s1 19711177 IFRVDFYZJQDNAP-JOCHJYFZSA-N 424.545 4.561 0 40 HJAB CN1CCc2nc3sc(C(=O)c4ccccc4)c(N)c3c(-c3cccs3)c2C1 19816088 JOGMBMHGDFSWDK-UHFFFAOYSA-N 405.548 4.826 0 40 HJAB CC(C)c1ccccc1NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 20063180 COFCRKAVKSTPHS-UHFFFAOYSA-N 406.507 4.624 0 40 HJAB C[C@@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(=O)N(C)c1ccccc1 22470718 OXQBYGGBRNOBJS-QGZVFWFLSA-N 411.461 4.505 0 40 HJAB Cc1ccc(Cn2nc(-c3cccs3)c3sc(N4CCCC4)nc3c2=O)cc1 23108840 ORHSZSMGRRHNOC-UHFFFAOYSA-N 408.552 4.538 0 40 HJAB COc1ccc2c(c1)CCCN2C(=O)c1sc(COc2ccc(F)cc2)nc1C 24747367 IUGUQORKZQHBNQ-UHFFFAOYSA-N 412.486 4.771 0 40 HJAB CSc1cccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4ccc(F)cc4)nn32)c1 32073882 VQXUYUHPQCHRRH-KRWDZBQOSA-N 410.474 4.891 0 40 HJAB O=C(Nc1ccc(F)c(F)c1F)[C@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 35684751 BXULXCGVULNMJV-CQSZACIVSA-N 420.778 4.792 0 40 HJAB Cc1nc2cc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)ccc2o1 40079757 CUPMHIDVXGINON-QGZVFWFLSA-N 418.280 4.686 0 40 HJAB Cc1ccc(OC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c(C)c1 41077661 FTJFPAKMCCUYES-UHFFFAOYSA-N 419.300 4.814 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2ccccc2C)CC1 44855371 HPGOXJULCLXKHY-QHCPKHFHSA-N 406.570 4.934 0 40 HJAB Cc1ccc(NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)cc1Cl 46058050 RANJKRWMWVQMNL-UHFFFAOYSA-N 408.932 4.511 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH]c3=S)cc2)c1 47536427 VBPYWYJWECGJRT-LJQANCHMSA-N 409.511 4.529 0 40 HJAB Cc1nc(-c2ccco2)nc2sc(C(=O)N(Cc3ccncc3)C3CC3)c(C)c12 48308997 IBGXEDJNQPFWLG-UHFFFAOYSA-N 404.495 4.768 0 40 HJAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccco2)CO4)cc1 54278272 LOFHDAHZVXTMHB-UHFFFAOYSA-N 403.434 4.722 0 40 HJAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2c(c1)[C@@H]1CCCCC[C@@H]1N2 57841198 QLELVRFKHQWRAB-PXNSSMCTSA-N 416.525 4.726 0 40 HJAB Cc1nc(C)c([C@@H](C)NC(=O)Cn2c(C)c(Br)c3ccccc32)s1 58406639 CEMCEZQBRMAYSF-LLVKDONJSA-N 406.349 4.663 0 40 HJAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@H]1c1ccc(C(C)C)cc1 59227874 CPILVWYKKZUCSH-FQEVSTJZSA-N 408.889 4.654 0 40 HJAB Cc1ccc(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3ccccn3)CC2)s1 72337698 RPLIZGARGHFOCL-UHFFFAOYSA-N 421.570 4.749 0 40 HJAB Cc1cc(-c2ccc(N)nc2)cc([C@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)n1 72374710 AGSMNQVCXVMOBE-IBGZPJMESA-N 420.944 4.636 0 40 HJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2C(=O)Cc2ccccc2)n1 72376894 NVQHCGAVKAFLKO-FQEVSTJZSA-N 406.917 4.676 0 40 HJAB CC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2CN(C)C[C@@H](C)c2ccccc2)C1 72395275 PKBNUEFQKBVAND-WIYYLYMNSA-N 404.558 4.524 0 40 HJAB COC(=O)c1nc(NC(=O)c2sc(C)nc2-c2ccccc2)sc1CC(C)C 72402344 OIDLSWWJNITATC-UHFFFAOYSA-N 415.540 4.812 0 40 HJAB CC(C)n1ncc2c(C(=O)N(C)Cc3cccc(O)c3)cc(-c3cccs3)nc21 84633093 PYWDZZSMWWKHFV-UHFFFAOYSA-N 406.511 4.719 0 40 HJAB COc1ccc(C2(CNC(=O)CCc3ccc(C(F)(F)F)cc3)CCOCC2)cc1 96120229 NQOVPWHDTHKHCQ-UHFFFAOYSA-N 421.459 4.511 0 40 HJAB O=C(NCCSCc1ccccc1)c1ccc(CN2CCc3ccccc32)cc1 216434798 VXJALEVYWWXXRV-UHFFFAOYSA-N 402.563 4.913 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1 219462751 CVQMXQQRLQCQKR-UHFFFAOYSA-N 422.868 4.659 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1 222387264 YPRKARDIVLLPBT-OAQYLSRUSA-N 414.549 4.680 0 40 HJAB Cc1cccc(CSCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 222747768 BWISZZLTRIEQEA-UHFFFAOYSA-N 401.919 4.590 0 40 HJAB Oc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223109519 ASQHHRUYEQHNKA-XZOQPEGZSA-N 418.566 4.883 0 40 HJAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCC(C)C 223199961 BUWMDAQKLDFJQX-QHCPKHFHSA-N 412.549 4.728 0 40 HJAB Cc1ccc(CN(C(=O)Cc2cc(C)ccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1 223812842 KAZJDZURYSZEMH-NRFANRHFSA-N 406.570 4.630 0 40 HJAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 223877780 CSMBZKSDWSOELN-YADHBBJMSA-N 404.539 4.881 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1C 224975237 ZSROLSJNNYUNGH-VQTJNVASSA-N 412.599 4.560 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 225225373 WIXXMNLDZQMWBM-FQEVSTJZSA-N 418.990 4.766 0 40 HJAB Cc1cc(N)c(NC(=O)c2ccccc2Br)cc1N1CCC[C@H](C)C1 226330149 HLWNLXGLGOXEHD-ZDUSSCGKSA-N 402.336 4.828 0 40 HJAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2-c2ccc(C(=O)O)o2)cc1 226354975 AGNSQQVRRZTHIE-UHFFFAOYSA-N 408.479 4.895 0 40 HJAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)COc3ccc(C)cc3)o2)c1 257310186 UEBCYQQJQGKWIB-HSZRJFAPSA-N 420.509 4.715 0 40 HJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)O)c3)o2)S1 260772293 NGJCAHJBVGQSGX-SMHULIPUSA-N 405.479 4.629 0 40 HJAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C)c(Cl)c4)c3)C(=O)[C@@H]2C1 408686076 RYOWJCCCQQIMLW-RBUKOAKNSA-N 408.885 4.746 0 40 HJAB Cc1cccc(CN2C(=O)S/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C2=O)c1 409095792 JGGREQHMURPNSV-MOSHPQCFSA-N 418.474 4.720 0 40 HJAB Cc1ccc(-n2ncc3c(N)c4c(nc32)C[C@@H](c2ccc(F)cc2)CC4=O)cc1C 618256797 LZAAMWOKHXBJNT-MRXNPFEDSA-N 400.457 4.671 0 40 HJAB CC(=O)N1CCCCCCCCN(C(=O)c2ccc3c(c2)OCO3)Cc2ccccc21 643569817 SJKNVCGPVRVTOZ-UHFFFAOYSA-N 422.525 4.765 0 40 HJAB CCc1ccc(C(=O)Nc2n[nH]c(C)c2-c2cccc(Br)c2)c(O)c1 1587732975 VWRRMOJYSYOVME-UHFFFAOYSA-N 400.276 4.668 0 40 HJAB CNC(=O)c1cc2cc(NC(=O)c3sc(C)cc3OCc3ccccc3)ccc2[nH]1 1639885650 KJXYJSQSCGNTML-UHFFFAOYSA-N 419.506 4.729 0 40 HJAB C[C@]1(Cc2ccccc2F)Cc2cc(C(=O)NCCC3(O)CCCCC3)ccc2O1 2037875633 YCAOQSYWQOHQHN-DEOSSOPVSA-N 411.517 4.577 0 40 HJAB O=C(c1ccncc1)N1CCCCCCCNCc2cc(-c3ccncc3)ccc21 2037931592 VXTJOZMGOXVYHC-UHFFFAOYSA-N 400.526 4.844 0 40 HJAB Cc1cc2oc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)c2cc1Cl 634106 JVIGWJKQUBKLGK-UHFFFAOYSA-N 409.873 4.753 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c(C)c1 805057 FACOSICFKFVVOP-UHFFFAOYSA-N 419.550 4.580 0 40 HJAB O=C(NC1CCCC1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 865903 YQTDTAZXRUYQOV-ZYHUDNBSSA-N 418.872 4.931 0 40 HJAB CCOc1ccccc1NC(=S)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1325671 WJBRJEFGPHKMNP-UHFFFAOYSA-N 409.477 4.623 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1F 2226918 CTGJGVRCIFTEET-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1Cl)c1ccccc1 2260820 YFLNMDSORXCPQN-UHFFFAOYSA-N 410.886 4.828 0 40 HJAB CCCCCCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 2425079 CTMJWANIINVIGK-UHFFFAOYSA-N 414.556 4.641 0 40 HJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCCCC(=O)c1ccc(F)cc1 2659571 SUCACLVOAAJPFI-UHFFFAOYSA-N 414.864 4.852 0 40 HJAB Cc1ccc(COc2ccc(/C=C3\NC(=S)N(C4CCCCC4)C3=O)cc2)cc1 3662813 QLZHJHVPEXBDFK-JCMHNJIXSA-N 406.551 4.964 0 40 HJAB CCC1=C(C[C@H]2NCCc3ccccc32)C[C@H]2c3cc(OC)c(OC)cc3CCN2C1 3954405 HDIJLRXRAJUXQB-RPBOFIJWSA-N 418.581 4.990 0 40 HJAB in-vivo Cc1cc(NC(=O)c2sc3nc4c(cc3c2N)C[C@H](c2ccccc2)CC4)no1 4575506 LXUNGLDTUZPLMV-CQSZACIVSA-N 404.495 4.700 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 4601806 HXFANCSWRGFUEV-UHFFFAOYSA-N 409.902 4.508 0 40 HJAB COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(NC3CCCC3)n2)cc1 4675836 DGSDCVCRJYVUPN-UHFFFAOYSA-N 406.490 4.731 0 40 HJAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)o1 5100956 SSXKPJCXHIZOQD-YLJYHZDGSA-N 410.271 4.988 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(C)cc1 5296026 KHKNEBBWOGZCMO-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(-c2ccc(C)cc2)n[nH]1 5867219 UMIZDCDVADAIEM-LBPRGKRZSA-N 402.907 4.561 0 40 HJAB COc1ccc(CCNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 5921362 WIDQTQPLUKTWLR-UHFFFAOYSA-N 405.281 4.938 0 40 HJAB Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NCc1ccco1 6127377 CWRXEQKINMNQIA-UHFFFAOYSA-N 414.461 4.689 0 40 HJAB Cc1ccc(-c2noc(CN(C(=O)[C@H](C)Oc3cccc(Cl)c3)C(C)C)n2)cc1 6737011 WGOAODDVBKXSRY-INIZCTEOSA-N 413.905 4.903 0 40 HJAB CN(C)Cc1ccccc1CNC(=O)c1ccccc1-c1nc2ccccc2s1 6882021 YVCMJNACUCZHDE-UHFFFAOYSA-N 401.535 4.955 0 40 HJAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccc(OCC)c2)cc1 6935613 FRPVJQZZIKTKAV-UHFFFAOYSA-N 404.466 4.504 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)c(C)n1C 7130084 XJENYIPSOZXCAK-NSHDSACASA-N 401.557 4.853 0 40 HJAB O=C(Nc1ccc2ccccc2c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 7654134 LQNWSPVRNREUNH-UHFFFAOYSA-N 414.914 4.530 0 40 HJAB CC(C)NC(=O)CSc1ccccc1C(=O)NCCC12CC3CC(CC(C3)C1)C2 8036303 KCYMDQYBRXALPJ-UHFFFAOYSA-N 414.615 4.640 0 40 HJAB COc1cc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc(Cl)c1OC(C)=O 8742949 PNNLHLWACOLUCZ-ODLFYWEKSA-N 421.836 4.772 0 40 HJAB Cc1ccccc1NC(=O)Cc1nc(COC(=O)C[C@@H](C)c2ccccc2)cs1 8754569 MVDNRZLAJDVTFB-QGZVFWFLSA-N 408.523 4.870 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccccc1F 9087165 HVUFVBBWSSEYOL-NJDAHSKKSA-N 422.843 4.530 0 40 HJAB CCN(C(=O)COC(=O)c1cc(Cl)nc(Cl)c1)c1cccc2ccccc12 9476827 ZDVYLKVXYJBFNH-UHFFFAOYSA-N 403.265 4.752 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccccc1Cl 9584890 LWXDHGQHNAWPPW-CYBMUJFWSA-N 419.959 4.814 0 40 HJAB O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc21 9827904 PXLQJPLDMWHLEU-UHFFFAOYSA-N 406.872 4.560 0 40 HJAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nnc(-c2ccccc2Cl)o1 9986480 SRMOCBHDQZXKLI-JTQLQIEISA-N 419.856 4.672 0 40 HJAB COc1cc2ccccc2cc1C(=O)Nc1nnc(CCSc2ccccc2)o1 10690697 PASQMGFSIZXZDH-UHFFFAOYSA-N 405.479 4.819 0 40 HJAB CCn1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)n1 11738152 MDLJOFDWBZDZNH-UHFFFAOYSA-N 402.479 4.510 0 40 HJAB CC(=O)Nc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 11923431 RBMBQYCQWBCBLM-UHFFFAOYSA-N 416.506 4.871 0 40 HJAB COc1ccc([C@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)c2nccn2C)cc1 12507241 GTDISZYBFOSDHH-KRWDZBQOSA-N 405.285 4.647 0 40 HJAB C[C@H](SCc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 12729635 MCOCRNWRBYOHTD-HNNXBMFYSA-N 424.488 4.802 0 40 HJAB Fc1ccc(OCc2nc(CSc3nnc(-c4ccncc4)o3)cs2)cc1 12868895 QTTLXLYJMAYCMP-UHFFFAOYSA-N 400.460 4.599 0 40 HJAB O=C(c1cc(Br)c(Br)s1)N1CCCc2ccccc21 12916512 GEXDOFHUKYXNKZ-UHFFFAOYSA-N 401.123 4.866 0 40 HJAB C[C@@H]1CN(Cc2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)C[C@@H](C)O1 14121677 VUUVJLSLMQWFSD-QZTJIDSGSA-N 421.566 4.523 0 40 HJAB COc1ccc(Cl)cc1-c1nnc2sc(C34CC5CC(CC(C5)C3)C4)nn12 15109536 HREOEPZKQJVQIA-UHFFFAOYSA-N 400.935 4.983 0 40 HJAB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccc(C)o2)c(C)c1 15412402 HBHCJGDBKYESDQ-XMMPIXPASA-N 402.494 4.943 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 16362253 ZWMWQSMISPEJMN-UHFFFAOYSA-N 410.539 4.531 0 40 HJAB CC1=CC(C)(C)N2C(=O)[C@]3(S[C@@H](C)C(=O)N3c3ccccc3)c3cc(C)cc1c32 17082952 OSFXYNKICFYGKY-UPCLLVRISA-N 404.535 4.858 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 17091068 JGHNBXYXOOBWCR-UHFFFAOYSA-N 417.490 4.890 0 40 HJAB COc1cc(NC(=O)c2cccc3ccccc23)ccc1N1C(=O)c2ccccc2C1=O 17093007 RKPITUGMRPGLIX-UHFFFAOYSA-N 422.440 4.901 0 40 HJAB COc1ccccc1C(=O)N(Cc1ccccc1)Cc1nc(C)ncc1-c1ccncc1 19287011 STBOVCLYFAPTNJ-UHFFFAOYSA-N 424.504 4.698 0 40 HJAB Cc1nn(C[C@@H](C)C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)c(C)c1Cl 19578098 PXABJQLLDUQODE-FOIQADDNSA-N 410.949 4.744 0 40 HJAB Cn1c(CCC(=O)NCCc2ccc(C(F)(F)F)cc2)nc2cc(Cl)ccc21 19714204 DCDHPDMTMWRDDZ-UHFFFAOYSA-N 409.839 4.537 0 40 HJAB CC1=C(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)[C@@H](C)NN1Cc1ccccc1C 20418468 MGDJFWUNOYSTGC-VQIMIIECSA-N 422.573 4.504 0 40 HJAB O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(Cl)cc1Cl 20457094 KRHAHLAJTGLRJL-UHFFFAOYSA-N 421.305 4.873 0 40 HJAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 23663241 CPNITCXYCUPMDK-FXAWDEMLSA-N 419.550 4.941 0 40 HJAB CC1CCN(C(=O)C[C@H](c2ccccc2)c2cc(Br)ccc2O)CC1 27578481 ISNJKEHGXWSWAP-GOSISDBHSA-N 402.332 4.935 0 40 HJAB C[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1 31663431 VEXZQPNVQYVARE-MRXNPFEDSA-N 421.463 4.610 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccco2)nc(C)c1C(C)=O 32902156 SNRVMUWBPQQFBC-UHFFFAOYSA-N 409.511 4.849 0 40 HJAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 32906522 FCMMNTMKOIQPHY-UHFFFAOYSA-N 413.543 4.529 0 40 HJAB COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 33570571 YCPROLJDXVMZKK-ZWKOTPCHSA-N 418.493 4.592 0 40 HJAB COc1ccc2cc(-c3nc4cccc(C)n4c3NCc3ccccc3)c(=O)[nH]c2c1 35315875 MPCYGWICMGVEBL-UHFFFAOYSA-N 410.477 4.772 0 40 HJAB COc1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)ccc1OCc1cscn1 40068048 VSVHPHSZTGKKPT-CYBMUJFWSA-N 402.903 4.875 0 40 HJAB CCOc1ccc2ccccc2c1C(=O)NCC1CCN(Cc2ccsc2)CC1 43971993 IBQTXUYKFWTXDB-UHFFFAOYSA-N 408.567 4.942 0 40 HJAB CSc1nc2ccc3nc(NC(=O)c4cccc(N(C)C)c4)sc3c2s1 49026009 VSNRYZZJGBPTET-UHFFFAOYSA-N 400.554 4.946 0 40 HJAB COc1ccc(CN[C@H]2C3=C(CCCC3)C(=O)N2CCc2ccc(Cl)cc2)cc1 57381670 QNCJZFGZSWVXKG-HSZRJFAPSA-N 410.945 4.720 0 40 HJAB Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc4oc(C(C)C)nc4c3)CCC2)cc1 65478348 YEXRAVFRSRZRTL-UHFFFAOYSA-N 412.511 4.595 0 40 HJAB Cc1cc2oc(=O)cc(CN3c4ccccc4[C@H](C(N)=O)C[C@@H]3C)c2cc1C(C)C 65521228 NIWBEZMPSOGMPA-HRAATJIYSA-N 404.510 4.593 0 40 HJAB Cc1ccc(CN2CCC(c3nnc([C@@H]4CCCCN4C(=O)CC(C)C)o3)CC2)cc1 72344941 MASOKFYGHLYZAC-QFIPXVFZSA-N 424.589 4.857 0 40 HJAB Cc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCCC3)s1 72402066 LDXIUHLIMBAKNW-LJQANCHMSA-N 424.570 4.670 0 40 HJAB Cc1noc(=O)c(C)c1-c1ccc(Cl)c(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 100493706 TXBSBCNPDJIUMG-CRNXPOROSA-N 400.906 4.527 0 40 HJAB Cc1ccc(N(CCc2ccccc2F)[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 102846242 YETCJOMBRFPBEX-QHCPKHFHSA-N 402.469 4.515 0 40 HJAB C[C@@H](NC(=O)CSc1ccccc1C(=O)NCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 104751139 IYGPFJVTDNCUNW-XBZUYWNMSA-N 422.594 4.650 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CC1 223848898 ISLPWRSRCXSKHT-VXKWHMMOSA-N 404.539 4.718 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC2CCCCCCC2)c1 223943429 FCFANQQAFIXTRQ-UHFFFAOYSA-N 400.544 4.639 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 223964953 ONTUVAOTRCSGNV-MRXNPFEDSA-N 421.368 4.706 0 40 HJAB CC(C)c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 224075064 RLDIOXNQXZYHLA-UHFFFAOYSA-N 422.550 4.883 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1cccc3c1CCCC3)CC(C)(C)O2 224961028 FHUZNWRZEHQQTM-KKSFZXQISA-N 409.526 4.760 0 40 HJAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl 224961185 AYJUZHPQNMOIHX-UHFFFAOYSA-N 414.232 4.846 0 40 HJAB O=C(Cc1ccccc1)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225256639 WVNSDOACIFWVCB-KGENOOAVSA-N 407.564 4.872 0 40 HJAB CCCOc1ccccc1CCCNC(=O)c1ccc(Cn2nc(C)cc2C)cc1 225291887 QIFAFIPWBBTJSH-UHFFFAOYSA-N 405.542 4.700 0 40 HJAB COCCNC(=O)c1ccc(Nc2cc(Cl)ccc2Oc2ccccc2)c(N)c1 225447855 WLZIEXXGYNVCEI-UHFFFAOYSA-N 411.889 4.834 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 225478271 ALWPIOUNVSRRME-OFNKIYASSA-N 410.558 4.568 0 40 HJAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cnc(O[C@H]2CCOC2)c(Cl)c1 244933075 BZWUGBYHEUFPJV-SFHVURJKSA-N 406.869 4.726 0 40 HJAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccncc2)cc1 244986301 JPGIDZKYERKMNA-URXFXBBRSA-N 401.466 4.731 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253498748 PGSWBIZOBGMFIQ-IOIXJJKASA-N 416.631 4.567 0 40 HJAB biogenic CC(C)[C@@H]1C[C@@]2(CCCN(C(=O)CCCc3cn[nH]c3)C2)CO[C@H]1c1ccccc1 257318254 VNCQUKIOJCABIU-ZKMPZPQNSA-N 409.574 4.775 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1NC(=O)c1ccccc1 408554081 BLEOSGFCHNTZQL-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)CCCOc1ccccc1 408714644 TYAXITVWRGQQRN-UHFFFAOYSA-N 407.514 4.852 0 40 HJAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(Br)ccc2O)S1 408801087 SNUSBVMHKGMYDX-UHFFFAOYSA-N 424.727 4.880 0 40 HJAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCCN2C(=O)/C=C/c2ccco2)n1 585292090 JWRUHTHNDLMGIE-BLGFXRMMSA-N 409.515 4.654 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1C=CC(C(F)(F)Cl)=NCC1 1396097 CXZHMNIHSFZAEM-UHFFFAOYSA-N 418.202 4.685 0 40 HJAB Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1C 2186985 KWPGFTLIJXSBCN-OAQYLSRUSA-N 407.514 4.859 0 40 HJAB biogenic O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccc(F)c(F)c1 2644448 CJFPTGPCWZOFAB-UHFFFAOYSA-N 411.433 4.840 0 40 HJAB COc1ccc(-n2c(SCC(=O)C(C)(C)C)nnc2-c2ccccc2)cc1OC 3489511 PLTDUCDLZWLBTI-UHFFFAOYSA-N 411.527 4.659 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4Cc5c(c(C)nn5C(C)=O)[C@@]4(C)CC[C@H]32)C1 4026048 DLCTVKXJNPOKCT-ZXTAYERYSA-N 412.574 4.840 0 40 HJAB COc1ccc(-c2cnn3c4c(c(C)nc23)CCN4C2CCCCCC2)cc1OC 4050918 HHWNVLISKWBVQU-UHFFFAOYSA-N 406.530 4.807 0 40 HJAB O=C(NCC12CC3CC(C1)CC(CNC(=O)c1cccs1)(C3)C2)c1cccs1 4174456 MJCGLPAJJAGUDL-UHFFFAOYSA-N 414.596 4.556 0 40 HJAB C[C@@]12C(=O)N(c3cc(Cl)ccc3O)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 4525762 HICJMHYLYSWGQD-SGDKSWKTSA-N 415.876 4.832 0 40 HJAB Cc1[nH]c2ccccc2c1[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 4544062 FMMKGHRXHFQRFN-DEOSSOPVSA-N 402.881 4.912 0 40 HJAB CCCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3C)c3ccccc32)cc1 4555224 JJYTZASBZQONBY-HHHXNRCGSA-N 413.517 4.955 0 40 HJAB C[C@@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc3c(c2)oc2ccccc23)C1=O 4619989 PQDQYYSWUFOQND-NPMABZOXSA-N 400.459 4.859 0 40 HJAB Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(F)c3)N(C3CCCCC3)C2=O)cc1 4704153 PTRRKGCJUJZKSW-OAQYLSRUSA-N 423.488 4.633 0 40 HJAB O=C(Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O)c1ccc(Cl)cc1Cl 4777096 APPDJGRTEAHGLF-ZDUSSCGKSA-N 412.276 4.948 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 5079512 PMXYVQRBOYHCMM-HZPDHXFCSA-N 413.901 4.517 0 40 HJAB COc1cc(NC(=O)CSc2cc(C)c3ccccc3n2)c(OC)cc1Cl 5637950 AVTQQNCKCCPSRV-UHFFFAOYSA-N 402.903 4.945 0 40 HJAB COc1ccc(O)c(C(=O)CCCCCCCC(=O)c2cc(OC)ccc2O)c1 6181658 BKTJUNCXAAUKAL-UHFFFAOYSA-N 400.471 4.911 0 40 HJAB CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3nccs3)c2c1 6631079 IHMURDBXXOBTGS-UHFFFAOYSA-N 422.535 4.883 0 40 HJAB CCSc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)s1 6788701 CPMNLQSSRLVIKP-UHFFFAOYSA-N 411.512 4.657 0 40 HJAB CCCCNc1nnc(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)s1 6838866 KPYSFDIQPPQGMB-IVKJLDKCSA-N 408.637 4.563 0 40 HJAB C[C@@H]1Oc2ccc(NC(=O)Cn3c(-c4ccccc4)cc4ccccc43)cc2NC1=O 7314246 TYRUWTVUJVRGFZ-INIZCTEOSA-N 411.461 4.666 0 40 HJAB CC(C)N(C(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(C)C 7872856 SGCCGQNOBJCXPV-OAHLLOKOSA-N 411.575 4.887 0 40 HJAB Cc1cccc(C)c1N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O 7928333 QLEUFTLUXYKJJS-CYBMUJFWSA-N 410.823 4.967 0 40 HJAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1ccc(COc2ccccc2)o1 7978763 OFAIQYXWCOTVDZ-UHFFFAOYSA-N 400.814 4.736 0 40 HJAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)C1 10322282 OMLYQGZFBRNTGP-GOSISDBHSA-N 420.513 4.587 0 40 HJAB Cc1ccc2[nH]c3nc(SCC(=O)Nc4ccccc4C(F)(F)F)nnc3c2c1 12487055 LABKXAUDOQKIAP-UHFFFAOYSA-N 417.416 4.564 0 40 HJAB CCOc1ccccc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 12767727 CLEWVNDVUPZCEV-UHFFFAOYSA-N 402.494 4.729 0 40 HJAB CCN1CCc2nc(NC(=O)CCCOc3ccc(Cl)cc3Cl)sc2C1 12804705 OOPKVCZYQVJWSQ-UHFFFAOYSA-N 414.358 4.626 0 40 HJAB C[C@H](NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O)c1ccccc1Cl 12856312 ITNXFVDOMXGIIC-AWEZNQCLSA-N 423.925 4.656 0 40 HJAB O=C(NC1CC1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC(F)F)cc1 12926374 WCWUTFHHVICPFI-UHFFFAOYSA-N 415.223 4.739 0 40 HJAB Cc1ccc([C@@](O)(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C(F)(F)F)o1 14241791 HASAMKIVRDSMMV-QFYYESIMSA-N 410.219 4.912 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 15796554 HNRYQZHPVQLOEX-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2ccccc2oc1=O 17028522 NYWZORGKOTVQOJ-UHFFFAOYSA-N 406.507 4.970 0 40 HJAB O=C(c1ccncc1)N1CCC(c2nc(-c3ccsc3)cc(C(F)(F)F)n2)CC1 19404814 DEFZXMRIVQMFCC-UHFFFAOYSA-N 418.444 4.639 0 40 HJAB O=C(c1ccc(Cl)c(N2CCCCC2)c1)N(Cc1ccccn1)C[C@H]1CCCO1 19665594 QTFAANSEPZBTTM-HXUWFJFHSA-N 413.949 4.547 0 40 HJAB Cc1cc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)ccc1-c1ccc(CO)o1 20151650 YEDNHYPEOWNAOS-UHFFFAOYSA-N 408.523 4.998 0 40 HJAB COc1ccc(OC)c(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCS2)c1 27027405 DVMRSIJPDBCZDB-UHFFFAOYSA-N 404.919 4.539 0 40 HJAB Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)cc1 27749331 GBEJYVRGBWUGOS-QFIPXVFZSA-N 400.950 4.761 0 40 HJAB COc1ccc(NC(=O)N2CCS[C@H]2c2cc(Br)ccc2OC)cc1 28232273 UCJKYNTYMCUTOY-KRWDZBQOSA-N 423.332 4.746 0 40 HJAB CC(C)[C@H](NCc1ccc(OCc2ccncc2)cc1)c1ccc2c(c1)OCCO2 30545911 QOQMTVFYDWIAQC-VWLOTQADSA-N 404.510 4.919 0 40 HJAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)n2)C1 30581010 ZKCIQTZPYGSLNL-MRXNPFEDSA-N 421.570 4.690 0 40 HJAB CCCCC(=O)Nc1ccc(NC(=O)c2cccc(Br)c2)cc1OC 32115097 OTQMQLAOVLTYAJ-UHFFFAOYSA-N 405.292 4.839 0 40 HJAB COc1cc(C(=O)N2CCc3sccc3[C@H]2C)ccc1OCc1cscn1 32424487 RLWVIGYPCPFKQS-CYBMUJFWSA-N 400.525 4.552 0 40 HJAB Cc1ccc(N(Cc2ccco2)C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 32493052 LEBCYIATWJBECJ-FQEVSTJZSA-N 420.484 4.813 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 32604898 INFQLJUNHQJFAM-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB COc1cc2cc3c(N)c(C(=O)N4CCCc5ccccc54)sc3nc2cc1OC 35315965 VGQJEALTIWUORP-UHFFFAOYSA-N 419.506 4.642 0 40 HJAB COc1cc(C(=O)N(C)Cc2ccc(Cl)s2)ccc1OCc1cscn1 40069636 UXFSKBCRIUFQDF-UHFFFAOYSA-N 408.932 4.718 0 40 HJAB CCC(=O)Nc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1 40132801 BVVJWFWATDERKI-UHFFFAOYSA-N 419.529 4.973 0 40 HJAB CCOC(=O)c1ccc(OCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 40159223 KIULPXFDTJFJOF-UHFFFAOYSA-N 417.505 4.581 0 40 HJAB CNC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1ccc(OC(F)(F)F)cc1 44088016 QRFACCXSDPGBGJ-UHFFFAOYSA-N 421.444 4.584 0 40 HJAB CSc1nc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c2ccccn12 48366852 OIXDMVBSCOZNIG-OAQYLSRUSA-N 402.475 4.837 0 40 HJAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1F 57487272 GWHZSNSLRYGNIH-UHFFFAOYSA-N 410.836 4.945 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN[C@@H](C)c1ccccc1 57851828 JNWWTZHYPAMEKI-INIZCTEOSA-N 408.523 4.881 0 40 HJAB COc1ccc(-c2nc(C)c(C(=O)Nc3cnc4ccccc4c3)s2)cc1OC 58441092 ZIYDUSWAULQMRO-UHFFFAOYSA-N 405.479 4.936 0 40 HJAB O=C(CCSCc1cc(Cl)cc2cccnc12)Nc1ccc2c(c1)OCO2 65595312 ZKSAEAXRDUXXOC-UHFFFAOYSA-N 400.887 4.879 0 40 HJAB COc1ccc(OC)c(CNc2nc3c(-c4ccccc4)nnn3c3ccccc23)c1 67262186 GVJKLSQWAKEGHZ-UHFFFAOYSA-N 411.465 4.574 0 40 HJAB O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(Cl)cc1 67292958 UAUQMNRMMGFZCE-YEUWRSSNSA-N 417.292 4.881 0 40 HJAB COc1cccc(-c2cncc(C3CCN(C(=O)CCCc4ccccc4)CC3)n2)c1 72359832 XUFWRWUNRIVPMV-UHFFFAOYSA-N 415.537 4.881 0 40 HJAB O=C(Nc1cccc2c1CCCC2)C(=O)N[C@H](CC(F)(F)F)c1ccc(Cl)cc1 95455025 HWSZPXCMQKOFBG-GOSISDBHSA-N 424.850 4.967 0 40 HJAB O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 96627142 KSADTDJAKGKPIJ-KRWDZBQOSA-N 410.867 4.887 0 40 HJAB CC(C)(C)c1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccsc4)o3)CC2)[nH]n1 100156394 LONBHTQXOKLYOA-OKILXGFUSA-N 413.547 4.523 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)CCc3ccccc3)CC2)on1 100743593 UXJSSIRYWQLINF-OYRHEFFESA-N 418.541 4.771 0 40 HJAB COc1ccc(C2=C[C@@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)cc1OC 100752910 LWXSUEHFUYHXQO-INIZCTEOSA-N 403.269 4.658 0 40 HJAB Cc1ccc(CSCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 104656484 LSTLAWNWJDDTSS-UHFFFAOYSA-N 408.489 4.596 0 40 HJAB O=C1S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1CCOc1ccccc1 106766482 WPVYVQGBFLKPSG-GDNBJRDFSA-N 410.278 4.814 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)c3cccc(CN4CCOCC4)c3)ccc21 110670516 CGCLMNVMJJERIY-UHFFFAOYSA-N 413.521 4.899 0 40 HJAB COc1ccc(Br)c(C(=O)N2CCS[C@H](c3ccccc3)CC2)c1 211139427 QIGCCKGDPZXDNQ-SFHVURJKSA-N 406.345 4.778 0 40 HJAB CC1(C)C[C@@H](NC(=O)COc2ccc(Br)cc2Cl)c2ccccc2O1 218946435 MTRNMAJWTRESCJ-OAHLLOKOSA-N 424.722 4.900 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 222498878 HBJAJOIVPYDRDS-JOCHJYFZSA-N 414.977 4.913 0 40 HJAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C 224528080 NEUMMCRFSIGHSG-FCHUYYIVSA-N 406.555 4.706 0 40 HJAB CCOC(=O)c1cc(NC(=S)NCc2cccc(OC(C)C)c2)ccc1Cl 225524520 VUSZQNOUXHZHMF-UHFFFAOYSA-N 406.935 4.791 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 225716996 PCQPSFGHXDNCDP-OAQYLSRUSA-N 400.950 4.605 0 40 HJAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(Br)cc1 225739131 CCYMWVSOXXWSMU-AWEZNQCLSA-N 404.377 4.577 0 40 HJAB CCCC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccccc2Cl)CC1 257198347 ZRUAZULTTSHRDE-UHFFFAOYSA-N 420.340 4.694 0 40 HJAB CCc1ccccc1NCC(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257238648 HLXPNRLEUDQITN-UHFFFAOYSA-N 415.541 4.601 0 40 HJAB Cc1ncsc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257341938 ZMMUKZLTRDXJSA-OAHLLOKOSA-N 401.919 4.704 0 40 HJAB C[C@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@H]3CN2C1 299817661 MWBJDDYEYGDWCZ-LEFXQSIDSA-N 413.646 4.771 0 40 HJAB biogenic,in-vitro CCc1cccc(CC)c1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408704395 MUIGXQOWIDGIBJ-UHFFFAOYSA-N 422.550 4.892 0 40 HJAB O=C(NC1CCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704897 VHGIGQGYYGOGAJ-JOCHJYFZSA-N 414.958 4.787 0 40 HJAB O=C(c1ccccc1O)N1CC2(CCOCC2)c2cc(-c3cccc(F)c3)ccc21 585105744 HVAAHGYOHOOMGP-UHFFFAOYSA-N 403.453 4.907 0 40 HJAB CC(F)(F)C(=O)N[C@@H]1CCN(c2nc3cc(Cl)cc(Cl)c3o2)C2(CCC2)C1 585137774 SMSGNAGSAMDUKI-LLVKDONJSA-N 418.271 4.798 0 40 HJAB CO[C@H](CNC(=O)CCc1ccccc1Br)c1cc2ccccc2o1 618255311 ARSJPDOQOKCVOD-LJQANCHMSA-N 402.288 4.632 0 40 HJAB COc1cn(C)nc1[C@@H](C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 1156897570 PMSSTILYSZXDHY-CYBMUJFWSA-N 403.404 4.606 0 40 HJAB CC(=O)c1sc2nc(SCC(=O)Nc3cccc4ccccc34)nc(O)c2c1C 1615588351 DGDLYXZOBSVWIP-UHFFFAOYSA-N 423.519 4.792 0 40 HJAB CCCN([C@H]1CCc2ccccc21)S(=O)(=O)c1cccc2c(N(C)C)cccc12 1659787380 VPJGZHICSKPQDL-QHCPKHFHSA-N 408.567 4.994 0 40 HJAB Clc1cccc(-c2nc(-c3cccnc3)ncc2-c2nnnn2-c2ccccc2)c1 982041 HPKGVNNWQCJOSI-UHFFFAOYSA-N 411.856 4.502 0 40 HJAB COc1ccc(NC(=O)c2sc3nc4cc(C)cc(C)c4cc3c2N)c(OC)c1 1343002 CQNNXZBSJIVUSB-UHFFFAOYSA-N 407.495 4.918 0 40 HJAB COc1ccc(CNCC[C@H](c2ccc(OC)cc2)c2ccc3c(c2)OCO3)cc1 2137149 OORDNQIYWYMXPO-HSZRJFAPSA-N 405.494 4.744 0 40 HJAB biogenic COc1ccc(C(=O)[C@H](C)Oc2ccc(Br)cc2Br)cc1 3441105 FJFAZIUSZUYNNW-JTQLQIEISA-N 414.093 4.870 0 40 HJAB Cc1c(CC(=O)N[C@@H](C)c2ccccc2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 4089378 IPSOWELRKOENJV-INIZCTEOSA-N 405.494 4.625 0 40 HJAB biogenic CCc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccncc2)cc1 4240589 DFWZTFFEGNNQLP-QHCPKHFHSA-N 417.509 4.684 0 40 HJAB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 4661536 LLMCCUQLZFRTCI-UHFFFAOYSA-N 423.601 4.536 0 40 HJAB COc1ccc(OC)c(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 4670420 FEQFMEXBSLQSBD-UHFFFAOYSA-N 417.549 4.852 0 40 HJAB O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCCO2 6084455 SDNWXWAOWUBBLV-UHFFFAOYSA-N 408.837 4.604 0 40 HJAB O=C(NC[C@H](O)c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 6112287 BERBVAKRLZOCFF-QHCPKHFHSA-N 407.473 4.847 0 40 HJAB biogenic Cc1ccc(C)c(OCCC(=O)Nc2nnc(SCc3ccccc3F)s2)c1 6237400 VVNFVILVVCRTEG-UHFFFAOYSA-N 417.531 4.994 0 40 HJAB O=C(Oc1ccc(-c2nnco2)cc1)c1cc(-c2ccccc2)nn1-c1ccccc1 6261568 WIRRYYNFBNGPIE-UHFFFAOYSA-N 408.417 4.809 0 40 HJAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1OC 6406528 VGCMZCAFWQOWPQ-FYWRMAATSA-N 417.461 4.566 0 40 HJAB CCc1cc2oc(=O)cc(C)c2cc1OCC(=O)c1ccc(Br)cc1 6555744 WDKRJZUWGQAXOI-UHFFFAOYSA-N 401.256 4.688 0 40 HJAB Cc1ccc(OCC(=O)Oc2cc(-c3ccc(F)cc3)c3oc(=O)sc3c2)cc1 6809695 GGNMMUVUEVZFIM-UHFFFAOYSA-N 410.422 4.953 0 40 HJAB CCc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(C)c(C)c4)n3)c2C)cc1 6914628 OHTKLDWUFQBEDF-UHFFFAOYSA-N 418.526 4.526 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c1 7193622 OFSCSGIBJIRQHL-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB COc1cc(N)c(Cl)cc1C(=O)OCc1cccc(C(=O)Oc2ccccc2)c1 8040503 KCLIHFPWXUXNRH-UHFFFAOYSA-N 411.841 4.507 0 40 HJAB COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccccc3)[C@H]2c2ccccc2)cc1 8270343 INTTUGGCOTZNQG-ISKFKSNPSA-N 400.478 4.818 0 40 HJAB COc1ccccc1NC(=O)CSc1ncc(-c2ccc(Br)cc2)[nH]1 8719751 SCEOWVASRQOHHF-UHFFFAOYSA-N 418.316 4.579 0 40 HJAB COc1cc(C(C)=O)ccc1OCCN1CCC(c2nc3ccccc3s2)CC1 9052932 JWBUCJFJTJGNBJ-UHFFFAOYSA-N 410.539 4.766 0 40 HJAB COc1ccc(C)cc1-n1c(SC[C@@H]2CCCO2)nc2sc(C)c(C)c2c1=O 9335987 ZVFVYTRUEVIDLB-HNNXBMFYSA-N 416.568 4.652 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccccc1 9485279 MDOXDCAJUNRODO-UHFFFAOYSA-N 422.432 4.594 0 40 HJAB COc1cc(NC(=O)/C=C/c2ccc(OCc3csc(C)n3)cc2)cc(OC)c1 11424371 KZSKLNFGNCAVBJ-RMKNXTFCSA-N 410.495 4.700 0 40 HJAB CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 11565864 UOJOSSDDTNSGJR-UHFFFAOYSA-N 405.516 4.662 0 40 HJAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 11667264 UMIVNAJOIBSMRA-OAHLLOKOSA-N 409.873 4.853 0 40 HJAB CCC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)cs1 12237333 CZOAYOXZPKJABZ-UHFFFAOYSA-N 409.486 4.891 0 40 HJAB Cc1csc(N(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c2ccccc2)n1 12752978 KWIKFJDHHZBLRE-HNNXBMFYSA-N 411.914 4.823 0 40 HJAB CN(Cc1cc2cccc3c2n(c1=O)CC3)C(=O)Nc1ccc(Cl)c(Cl)c1 13690283 CTBTXAQNNZKELE-UHFFFAOYSA-N 402.281 4.528 0 40 HJAB CCn1nc(C(=O)N(Cc2cccnc2)c2nc3c(Cl)cccc3s2)cc1C 13703527 ACHBDUKCQXEIPY-UHFFFAOYSA-N 411.918 4.717 0 40 HJAB CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccccc1 13991499 JFENFTDLAZDZHD-UHFFFAOYSA-N 402.494 4.758 0 40 HJAB COc1ccc([C@@H]2CCCN2Cn2ncn(CCc3cccs3)c2=S)cc1 14210688 OCKBQTPLUKZFOH-IBGZPJMESA-N 400.573 4.521 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nc2ccccc2c1=O 17721817 GRRDDGOUJRTXMC-HDICACEKSA-N 421.566 4.576 0 40 HJAB Cc1ccc(-c2nsc3c(SCC(=O)N4[C@@H](C)CCC[C@H]4C)ncnc23)cc1 17836978 LCJYYZHNMVFBIK-GASCZTMLSA-N 412.584 4.943 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2cccnc2)C1 19449592 PGIHKKGNNIHGLW-VWLOTQADSA-N 419.594 4.770 0 40 HJAB Cc1noc(-c2c[nH]nc2[C@H]2CCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)c1C 19558030 RZRLYBUSUJFSEK-QGZVFWFLSA-N 419.312 4.895 0 40 HJAB CC(C)n1cc(CN2CCC[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)c2ccccc21 19705637 RVWBLVGQXNNYPD-HXUWFJFHSA-N 404.558 4.699 0 40 HJAB Cc1cc(C)cc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1 19947359 YXQMBRMEHFIOPT-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB CCCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21 21596588 STLIUZLSQSMIOH-UHFFFAOYSA-N 408.889 4.974 0 40 HJAB O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CCc2sccc2C1 22328886 YCSUHMLSOIDYSM-DUXPYHPUSA-N 401.381 4.549 0 40 HJAB COc1ccccc1NC(=O)C1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1 22491923 LYOVEJWTKVMPIN-UHFFFAOYSA-N 422.916 4.661 0 40 HJAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 25989954 IHLAVVLRVKQMSB-HXUWFJFHSA-N 408.885 4.945 0 40 HJAB COc1ccc(C2=Nn3c(COc4cc(C)ccc4C(C)C)nnc3SC2)cc1 27298955 XWVMYRHRUUTDPX-UHFFFAOYSA-N 408.527 4.656 0 40 HJAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc(-n2cc[nH]c2=S)c1 31564458 PZXCJQFLBMMACO-UHFFFAOYSA-N 415.902 4.531 0 40 HJAB Cc1ccc(CNC(=O)c2sc(=S)n3c2nc(O)c2cc(Cl)ccc23)cc1 33251351 PFWBESOWJMPTEW-UHFFFAOYSA-N 415.927 4.876 0 40 HJAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(C)cc4Cl)c3)nn12 33765762 FQYZNPVSIANSMD-UHFFFAOYSA-N 411.918 4.938 0 40 HJAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 38753772 ATVRAHCJNGUUCK-QGZVFWFLSA-N 424.522 4.808 0 40 HJAB O=C(CSCc1coc(-c2ccccc2)n1)N[C@H](c1ccccc1)c1ccccn1 40141263 WMBRDIIJPZNXFM-HSZRJFAPSA-N 415.518 4.876 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)C1CCN(C(=O)Nc2cccc(C)c2)CC1 40146510 AQBMJJAIXAYAJP-UHFFFAOYSA-N 415.921 4.848 0 40 HJAB O=C(CSCc1nc2ccccc2s1)N1CCn2cccc2[C@@H]1c1ccccc1 44575956 ZQIMXONDLXWMKP-QHCPKHFHSA-N 419.575 4.963 0 40 HJAB COc1ccc(Cl)cc1-n1nnc(-c2nc(-c3cc(C)ccc3C)cs2)c1N 49001857 SQQGACQPCQDQSB-UHFFFAOYSA-N 411.918 4.919 0 40 HJAB CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2ccccc2C)c1 57486302 GKZZWSGERJLWIK-UHFFFAOYSA-N 407.539 4.686 0 40 HJAB Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1ccc(Br)cc1F 59801779 ZYOKVTIRIQFPLO-UHFFFAOYSA-N 419.216 4.801 0 40 HJAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C)cc2)C12CCCCC2 72401165 QWTDJTRDKPHJKF-JOCHJYFZSA-N 406.526 4.522 0 40 HJAB COc1ccc(-c2csc3ncnc(N[C@H](c4nnc5n4CCC5)C(C)C)c23)cc1 79063688 GJTXXDZARORPAK-IBGZPJMESA-N 420.542 4.714 0 40 HJAB COc1ccc(CCNC(=O)[C@H](C)SCc2nc(-c3cccs3)oc2C)cc1 84056820 SLFQMTJNNQWHCW-HNNXBMFYSA-N 416.568 4.701 0 40 HJAB Cc1cc(C)c2c(c1)[C@@H](NC(=O)COc1ccc(Oc3ccccn3)cc1)CCO2 89582673 AZDYKAFXQARLKU-NRFANRHFSA-N 404.466 4.510 0 40 HJAB O=C1[C@H](C(=O)N2CCC[C@H]2c2cccs2)CCN1c1ccc(Cl)c(Cl)c1 89799964 XUYXTOPJCSQAJQ-CJNGLKHVSA-N 409.338 4.772 0 40 HJAB Clc1ccc(Cl)c(-c2csc(CN3CCN(Cc4cccnc4)CC3)n2)c1 96003581 ZXZCFXYNDVPOOB-UHFFFAOYSA-N 419.381 4.830 0 40 HJAB O=C(NCCn1nc(-c2cccs2)cc1C1CC1)c1ccccc1C(F)(F)F 96121608 UKZKGBGJKXNNCT-UHFFFAOYSA-N 405.445 4.938 0 40 HJAB COc1ccc([C@H]2CC3=Nc4nonc4N[C@H](c4cccc(OC)c4)C3=C(O)C2)cc1 102748336 HGECIMUPRWYNOT-YCRPNKLZSA-N 418.453 4.716 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718467 GERQDOCTAKDAMC-SECBINFHSA-N 401.652 4.778 0 40 HJAB Cc1ccc(SCCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 115048174 GMEKQDOJIHAMCI-UHFFFAOYSA-N 408.489 4.845 0 40 HJAB CC(=O)O[C@H]1C[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O 118926042 SMCQXKQWSCYFRG-DMRDWKPJSA-N 416.558 4.628 0 40 HJAB Fc1ccc(-c2cnc(Nc3cccc(C[C@@H]4COC5(CCNCC5)C4)n3)s2)cc1 205617333 IQTVESPECPPXJJ-INIZCTEOSA-N 424.545 4.789 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)Nc1ccccc1Cl 211962761 IEJDZCIHIRZVLD-OQLLNIDSSA-N 407.278 4.668 0 40 HJAB O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1cc(Br)cs1 217880470 KMMGUVQNLJPYAP-UHFFFAOYSA-N 422.373 4.743 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCC[C@@H](C)C4)cc3)n2)cc1 219241456 ONUZZISHNZVTER-LJQANCHMSA-N 418.541 4.549 0 40 HJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 222914986 LINLGOYKGASOEU-NRFANRHFSA-N 421.541 4.578 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1 224144044 QKAXWFVFPWPVQN-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 224428485 VHHJYYGDJZCPJN-YADHBBJMSA-N 418.497 4.841 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224842250 YRNUGHPVLBKYDF-IBGZPJMESA-N 410.533 4.543 0 40 HJAB C[C@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccccc3Cl)n2)C1 225938841 IGVUQFGPTAZSSM-BETUJISGSA-N 424.401 4.752 0 40 HJAB Cc1cc(N2CCCCCC2)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 225972258 VWYANQOYSKWMNJ-UHFFFAOYSA-N 423.630 4.964 0 40 HJAB Cc1ncn(C23C[C@H]4C[C@@H](CC(C(=O)N[C@H](c5ccc(F)cc5)C(C)C)(C4)C2)C3)n1 248037531 RIPKEACXDXDDAN-ULZWPUQSSA-N 410.537 4.535 0 40 HJAB Cc1ccccc1OCCC(=O)N1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1 257325894 WUXLJTBAUQASGV-FQEVSTJZSA-N 416.525 4.704 0 40 HJAB CCOc1cc(CNc2cc(C)ccc2C)cc(I)c1OC 409116194 LEVJPKDNNXULPI-UHFFFAOYSA-N 411.283 4.927 0 40 HJAB COc1ccc([C@H](NC(=O)c2cc3c([nH]c4ccccc43)c(=O)s2)C(C)C)cc1 604419259 BDOFPAVRXCLLRP-HXUWFJFHSA-N 406.507 4.879 0 40 HJAB Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N3CCc4ccc(F)cc4[C@H](C)C3)C2)c1 1144291195 INVAIAXFVUFAEA-UYAOXDASSA-N 423.532 4.566 0 40 HJAB CC(=O)N1CCN(Cc2cccc(-c3ccc(OCc4ccccc4)c(C)c3)c2)CC1 1615058115 LMXLAIYGXHFQPE-UHFFFAOYSA-N 414.549 4.905 0 40 HJAB COc1ccc(CNC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)cc1 661685 VVLCTZACEBKKDU-UHFFFAOYSA-N 407.470 4.623 0 40 HJAB CC(C)NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 674858 FYVPFNWDTUUMHG-JSGCOSHPSA-N 421.250 4.988 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 856402 UIDZRAFFHWILDU-UHFFFAOYSA-N 403.891 4.595 0 40 HJAB CCOC(=O)[C@@H](CC)Sc1nnc(COc2cccc(C)c2)n1-c1ccccc1 875834 KNYRFZNRZKOIKO-LJQANCHMSA-N 411.527 4.589 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccc(F)cc1 987099 BBIFYHILQGQXOR-UHFFFAOYSA-N 410.499 4.866 0 40 HJAB COc1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-c2ccccc2)c1 1379800 JKUIBXVBMCQMIO-QHCPKHFHSA-N 415.493 4.997 0 40 HJAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc(Br)c1 1518377 PXELJIWAMPBGRJ-KRWDZBQOSA-N 422.120 4.909 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc(C(=O)OC)c1C 2229452 RKRMDCHYPWMYHD-UHFFFAOYSA-N 416.282 4.579 0 40 HJAB Cc1cc(=O)n2c(n1)N=C(Nc1cccc(C)c1C)N[C@H]2c1ccc(C(C)C)cc1 2357153 BWUQZXAOKISNMO-JOCHJYFZSA-N 401.514 4.542 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1C 3596343 DKUODSUPPJPKQG-UHFFFAOYSA-N 418.522 4.934 0 40 HJAB CC[C@@H](C)NC(=O)CCSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 3645252 WPWFKSSCHZCDDD-GFCCVEGCSA-N 413.465 4.568 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1 4524369 OPXOTHJMRCOGGZ-UHFFFAOYSA-N 423.509 4.813 0 40 HJAB COc1ccc(NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)c(OC)c1 4700532 PPIDYNDKIPJQIR-UHFFFAOYSA-N 404.466 4.787 0 40 HJAB O=C(NCc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Br)cc1 4854395 FIDNMPZUGJMUJS-HXUWFJFHSA-N 410.315 4.565 0 40 HJAB CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 5241792 DGMGNNPIQUGXDA-UHFFFAOYSA-N 406.463 4.541 0 40 HJAB COC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3)cc2O)cc1 5248470 WSTADHNURUWUMN-UHFFFAOYSA-N 416.433 4.940 0 40 HJAB O=C(Sc1[nH]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)c1ccccc1 6198907 HVNBQUQHTULVQZ-UHFFFAOYSA-N 420.515 4.842 0 40 HJAB CC(C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 6375522 DVYBAWJEAJSRBB-UHFFFAOYSA-N 408.523 4.887 0 40 HJAB O=C(NC[C@@H]1COc2ccccc2O1)c1oc2ccccc2c1COc1ccccc1 6790667 WIYFUEDJEXKOSH-GOSISDBHSA-N 415.445 4.582 0 40 HJAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2cccc(Cl)c2)NC(=O)N1 7089762 KGRLABSKWMWBCK-MRXNPFEDSA-N 409.795 4.625 0 40 HJAB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 7468837 KIMFUQUOKHXWLR-HYARGMPZSA-N 419.525 4.622 0 40 HJAB O=C(CSc1nccn1Cc1ccccc1)Nc1ccc(N2CCCCC2)cc1 8133218 USFGYTXZQGVENE-UHFFFAOYSA-N 406.555 4.653 0 40 HJAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 8470186 CVWCMHOMSXHRRG-UHFFFAOYSA-N 408.841 4.851 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)Cn1nc(COc2ccccc2C)oc1=S 8571593 QIDXBBDJVFDLDX-UHFFFAOYSA-N 403.891 4.694 0 40 HJAB Oc1cccc(C2=NN(c3nc(-c4ccc(F)cc4)cs3)[C@](O)(C(F)(F)F)C2)c1 8711553 GLAPRZBFTOWGKB-GOSISDBHSA-N 423.391 4.520 0 40 HJAB O[C@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc(-c2ccccn2)cs1 8755852 AUESQXDJBOKOAP-KRWDZBQOSA-N 424.835 4.724 0 40 HJAB C[C@H](Oc1ccc(Br)cc1C=O)C(=O)Nc1cccc(C(F)(F)F)c1 9316773 GSBHMGGLDPHNFM-JTQLQIEISA-N 416.193 4.686 0 40 HJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(-c2nc3ccccc3s2)o1 9337256 PAKTUUYLLLOPSV-INIZCTEOSA-N 407.495 4.716 0 40 HJAB c1ccc(Nc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)cc1 9469681 OOLYEOUGSIATHK-UHFFFAOYSA-N 410.480 4.958 0 40 HJAB Cc1nnc(SCC(=O)N(Cc2ccco2)C2=CCCCC2)n1-c1ccccc1 9608345 BSBCOBUUTMTNKN-UHFFFAOYSA-N 408.527 4.748 0 40 HJAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)Nc1ncc(Cl)cc1Cl 9632873 XTGXEEYGDIVMIE-SNAWJCMRSA-N 419.186 4.602 0 40 HJAB O=C(COc1ccccc1)N(Cc1ccncc1)c1nc2ccc(Cl)cc2s1 10254315 QNCDEBSNFKGPIC-UHFFFAOYSA-N 409.898 4.957 0 40 HJAB COc1cc(C=O)ccc1Oc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl 12394245 HPJBGKQIBIUXCQ-UHFFFAOYSA-N 424.762 4.518 0 40 HJAB COc1ccccc1/C=C(\C(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1 12952948 IWPTTYFODRIDFC-QOCHGBHMSA-N 416.496 4.724 0 40 HJAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)Cc1nc2ccccc2s1 12979375 IPKIQNSDMSRIHW-LBPRGKRZSA-N 404.333 4.518 0 40 HJAB COc1cc(CSc2nc(CC(=O)Nc3ccc(F)cc3)cs2)cc(OC)c1 13010331 JPZVVORDSABKDR-UHFFFAOYSA-N 418.515 4.773 0 40 HJAB Cc1ccccc1OCc1nc2ccccc2n1C[C@@H](O)COc1ccccc1C 13233568 AYXOALMNGCVSRQ-HXUWFJFHSA-N 402.494 4.672 0 40 HJAB CC(C)CN(CC(C)C)C(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 13984729 BYNVAVQXMGUMKD-UHFFFAOYSA-N 401.528 4.605 0 40 HJAB C[C@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)Nc1cccnc1Cl 15805500 YDWSRZVWDQKMAW-QMMMGPOBSA-N 413.257 4.926 0 40 HJAB Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@@H](/C=C/c1ccccc1)SC(N)=N2 16958344 XGOQGZPZPBFDEW-SNQZOLJRSA-N 408.914 4.981 0 40 HJAB CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN(C(=O)CCC3CCCC3)C2)n1 19694558 LFZHQAOYUINGGB-NRFANRHFSA-N 406.574 4.886 0 40 HJAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cc(C(=O)O)ccc1Cl 20144775 AALMNBVAKMJPCY-UHFFFAOYSA-N 412.667 4.597 0 40 HJAB CC(C)c1ccccc1O[C@H](C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 20482587 DELHTFQTXHZEKK-QGZVFWFLSA-N 420.475 4.945 0 40 HJAB Cc1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc(C)c5)nc4nc3C2)cc1 20632392 MAKSTOYPIPJSLT-LJQANCHMSA-N 414.534 4.946 0 40 HJAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1sc2cc(F)ccc2c1Cl 21540791 JZYFUJPUSLCAQI-AWEZNQCLSA-N 424.950 4.559 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)CCc2ncc(-c3ccccc3F)o2)c(OC)c1 22386439 WAGLHEZOPZECES-FQEVSTJZSA-N 424.472 4.794 0 40 HJAB CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccc(C)c(C)c2)c2c(Cl)cccc21 32096968 VZIJPTKNFMAEJQ-QHCPKHFHSA-N 420.900 4.787 0 40 HJAB O=C(c1ccc(Cl)cc1Cl)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 32769019 YRHGWIIFJPSPPY-UHFFFAOYSA-N 418.246 4.760 0 40 HJAB Cc1cc(C)c2[nH]c(CSCC(=O)Nc3cccc(Cl)c3C)cc(=O)c2c1 33064074 FERQKMSDIMIXRR-UHFFFAOYSA-N 400.931 4.979 0 40 HJAB O=C(NCc1ccco1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36357754 JTHQYCFUQUOGLM-QFIPXVFZSA-N 400.478 4.653 0 40 HJAB Cn1ccc(NC(=O)c2cc(-c3ccccc3)nc3onc(-c4ccc(F)cc4)c23)n1 36618432 QXFKZMMQFKYNDJ-UHFFFAOYSA-N 413.412 4.682 0 40 HJAB CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 40104774 DCEGIAAHRICZMN-QGZVFWFLSA-N 422.312 4.775 0 40 HJAB COc1ccccc1[C@H](C)N(C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 40121794 PCHBIBOVPVYHID-ZACQAIPSSA-N 415.509 4.673 0 40 HJAB CC(=O)Nc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1 40128266 NROYKJLDBVWRHI-UHFFFAOYSA-N 405.502 4.583 0 40 HJAB COc1ccc(CNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc1OC 40143445 DPLDSKFTQKSVDM-UHFFFAOYSA-N 423.694 4.531 0 40 HJAB COC(=O)CC(=O)C[C@@H](O)/C=C\c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C 71624849 GARMPDXDAZRRAW-HSNDNRACSA-N 423.484 4.925 0 40 HJAB C[C@H]1C[C@@H](OC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)C(=O)O1 72274740 NRAUGSZLFSDERV-KPZWWZAWSA-N 400.427 4.725 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@@H]1Cc3ccccc31)CC2 72296557 ZJKYVDDBQCZGTP-AUSIDOKSSA-N 405.519 4.579 0 40 HJAB COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 72357771 HOYFEUFLCCCQCY-XMMPIXPASA-N 400.522 4.977 0 40 HJAB Cc1cccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2cccc(Nc3nncs3)n2)c1 72375611 XDCSJRWXERDESR-GOSISDBHSA-N 423.542 4.506 0 40 HJAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N(CCc1cccs1)Cc1ccco1 77200820 ZQXLFIJDODPTOP-UHFFFAOYSA-N 409.486 4.766 0 40 HJAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H]1COc2ccccc21 84062622 QERSXDDTJOOACA-INIZCTEOSA-N 400.887 4.547 0 40 HJAB COc1ccc([C@@H](CNc2cc(C(F)(F)F)nc3ccccc23)N(C)C)cc1OC 89313894 VIDBMPHBRKJIAJ-GOSISDBHSA-N 419.447 4.986 0 40 HJAB C[C@@H](OC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc2ccccc2o1 95461469 ORICPYWCRBXMBU-MRXNPFEDSA-N 421.474 4.720 0 40 HJAB COc1ccc(-n2cnc3c2[C@@H](c2ccc(O)c(Cl)c2)SCC(O)=N3)cc1 95475745 WYSYDNBVXXNMPQ-GOSISDBHSA-N 401.875 4.664 0 40 HJAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCn1ccc2c(OC)cccc21 96223066 BFKKJPDLTVQJCK-NRFANRHFSA-N 417.509 4.724 0 40 HJAB CCS[C@H]1CCCC[C@@H]1NCc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 97165583 QKNOMCCLQQHJQN-BBRMVZONSA-N 413.490 4.501 0 40 HJAB COc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4C)CC3=Nc3ncnn32)cc1OC 102662136 WAJRZZRHUWXUKC-MWTRTKDXSA-N 416.481 4.669 0 40 HJAB Cc1ccc(CN(C(=O)CSc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222749337 IWUMDQRRYATDFI-IBGZPJMESA-N 412.599 4.728 0 40 HJAB O=C(COc1ccc(Br)cc1Cl)NCc1cccc2ccccc12 222864052 LNPHONUFEKZSSD-UHFFFAOYSA-N 404.691 4.951 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 223640128 VVRBFZZNIZFSCL-DEOSSOPVSA-N 424.585 4.878 0 40 HJAB COc1ccc(/C=C(C(/C)=C(C)/C(=C\c2ccc(OC)cc2)[N+](=O)[O-])\[N+](=O)[O-])cc1 223814093 KFWQGSRSRVOCBC-BZLNMSHASA-N 410.426 4.976 0 40 HJAB Cc1nc(NC(=S)NC2CCCCC2)c(Br)cc1Br 224036922 ZGDQBNLOUVUTMJ-UHFFFAOYSA-N 407.175 4.534 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)cc1 224139959 BBNUEADVKWSESU-LJQANCHMSA-N 422.550 4.620 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2ccccc2OC)c1 224242803 DQADEMGTDQCQMM-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C 224591372 RJXKWHXJNRJXLR-HSZRJFAPSA-N 424.585 4.570 0 40 HJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1CN1CCCCC1 224832142 YGAOENBGKKUDBP-FQEVSTJZSA-N 402.538 4.909 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 225013908 WTECDBPWTGUCFR-UXHICEINSA-N 412.599 4.728 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 225613630 XZDYORCLYYRJJL-AVRDEDQJSA-N 414.977 4.913 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 225613974 RGOHTHSHAZDKDI-HRAATJIYSA-N 418.940 4.744 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225719229 OEHKQQVVBRIZBR-FQEVSTJZSA-N 421.368 4.868 0 40 HJAB COc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1Br 226262990 IJEDYRYQPQRSBY-ZDUSSCGKSA-N 418.335 4.671 0 40 HJAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(Oc5ncccn5)c4)OCC[C@@]31C2 257221493 DPGQSOMOKHBHFC-QBJNZZKDSA-N 421.541 4.678 0 40 HJAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1cccc2ccccc12 409047260 MBTZXAXRFSIFKL-YBFXNURJSA-N 422.868 4.651 0 40 HJAB CCOc1c(I)cc(CNc2ccc(C)cc2C)cc1OC 409110961 ZUXZXYMTEPFEAW-UHFFFAOYSA-N 411.283 4.927 0 40 HJAB COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N[C@@H](C)Cc2ccc(O)cc2)cc1 523596946 PNMOTNZGSFZMNY-BXKMTCNYSA-N 422.500 4.754 0 40 HJAB CC[C@@H](C)[C@@H](C(=O)N[C@H]1CCCc2c1[nH]c1ccccc21)N1Cc2ccccc2C1=O 524733743 LZINVGUQEGXLQY-LZGLPUDESA-N 415.537 4.732 0 40 HJAB O=C(Nc1cccc2ccc(O)cc12)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 533339999 QHGYKUSCBGSDQU-UHFFFAOYSA-N 422.440 4.594 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCC[C@H](CCO)c1ccsc1 575606738 JBNUURBSFOWAPK-CQSZACIVSA-N 404.919 4.651 0 40 HJAB CCOC(=O)C[C@@H](Cc1ccc(OCc2ccccc2)cc1)NCc1ccccc1 725327751 JFVYMSIOVFPLOB-XMMPIXPASA-N 403.522 4.920 0 40 HJAB Cn1c2ccc(Br)cc2c2cc(NS(=O)(=O)c3ccccc3)ccc21 632293 OJYROPRIWGMZJV-UHFFFAOYSA-N 415.312 4.895 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cc2cccc(OC)c2o1 687556 JIEXCIRHOFBCOR-UHFFFAOYSA-N 422.510 4.759 0 40 HJAB O=C(CSc1ncccn1)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1 704018 JTKWGEKBVTUTOQ-UHFFFAOYSA-N 411.339 4.562 0 40 HJAB Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1 800091 KEGMDKDEBDUROR-GOSISDBHSA-N 408.420 4.674 0 40 HJAB O=C(NC1CCCC1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 865901 YQTDTAZXRUYQOV-PWSUYJOCSA-N 418.872 4.931 0 40 HJAB c1ccc2c(c1)CCO[C@H]2CNCCCCCCCNC[C@@H]1OCCc2ccccc21 2098887 RLNGRBNBYVHQMZ-SVBPBHIXSA-N 422.613 4.744 0 40 HJAB biogenic COc1ccc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cc1OC 2239177 AVBBUTQULFRKGQ-UHFFFAOYSA-N 407.282 4.844 0 40 HJAB CCc1ccc(-c2csc(NC(=O)c3cn(CC)c4nc(C)ccc4c3=O)n2)cc1 2639475 OUCBJLLDEWVVSG-UHFFFAOYSA-N 418.522 4.663 0 40 HJAB Cc1ccc(C(=O)COC(=O)CSc2cc(C)c(Br)cc2C)cc1 3228969 OJIZBJQYDSUXMK-UHFFFAOYSA-N 407.329 4.893 0 40 HJAB O=c1[nH]c(CSc2nnc(-c3ccco3)o2)nc2scc(-c3cccs3)c12 3335696 QNLKLBNNGKPHBL-UHFFFAOYSA-N 414.493 4.648 0 40 HJAB O=C(/C=C/c1cc(Br)ccc1OC(F)F)NCc1ccccc1F 3402477 YQZAKZZJWUMDOX-VMPITWQZSA-N 400.194 4.519 0 40 HJAB COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4)=NN23)cc1OC 4844482 SKJILRQZZQXYPF-NLFFAJNJSA-N 416.477 4.955 0 40 HJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(OC(C)C)cc1 4973342 ZLLGBVWEGQYZEP-UHFFFAOYSA-N 403.438 4.938 0 40 HJAB O=C(Cn1cnc2ccccc21)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 5191010 LLFKSOFZSITEDV-HXUWFJFHSA-N 404.857 4.661 0 40 HJAB CCOc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(OC)c(OC)c2)c(O)c1 5646116 DAFJHKDRFZBNCM-UHFFFAOYSA-N 408.376 4.884 0 40 HJAB Cc1cc(NC(=O)C2(c3ccccc3F)CCCC2)n(-c2nc3ccccc3[nH]2)n1 5695876 PTEZXINIJNMYNC-UHFFFAOYSA-N 403.461 4.647 0 40 HJAB COc1ccc([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 6679025 VKGSVTBEPTZPKX-VFNWGFHPSA-N 423.538 4.670 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3C)c2)c1 6681758 PUJSWAWJWRZWBH-UHFFFAOYSA-N 400.525 4.726 0 40 HJAB CSc1ccccc1NC(=O)C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccccc1 6844772 WFTLCYVMYXGIAA-IBGZPJMESA-N 418.518 4.875 0 40 HJAB CCc1ccccc1-n1nnc(-c2nsc(NC(=O)c3ccc(C)c(C)c3)n2)c1C 6914620 PBMIKDJLYUSVRL-UHFFFAOYSA-N 418.526 4.526 0 40 HJAB CSc1ccc(CN(C)CC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 7496120 CYRBMSJKIUDCHP-QFIPXVFZSA-N 414.571 4.947 0 40 HJAB Cc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)NCc1ccccc1 8772152 KWNYBAYKZCFOLQ-UHFFFAOYSA-N 400.891 4.679 0 40 HJAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C)c(Cl)c3)ccc21 8840781 ALEPKUPHECMISF-UHFFFAOYSA-N 406.935 4.529 0 40 HJAB O=C(NCCSCc1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 9062784 LINPXEXRSZSZLK-UHFFFAOYSA-N 402.991 4.602 0 40 HJAB O=C1S/C(=C/c2cc3c(cc2Br)OCO3)C(=O)N1CC1CCCCC1 9323296 YQBOXUZQMUICPM-FRKPEAEDSA-N 424.316 4.794 0 40 HJAB Cc1ccc(-c2n[nH]c(SCC(=O)N(C)[C@@H](C)c3nc4ccccc4s3)n2)cc1 9478676 YNVYHNKLXCAKDV-AWEZNQCLSA-N 423.567 4.702 0 40 HJAB COc1cc(/C=C/C(=O)N2CCC(C(=O)c3ccccc3)CC2)ccc1OC(C)C 9987673 QYYZJVNISKXKBJ-ZRDIBKRKSA-N 407.510 4.617 0 40 HJAB COc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)c(OC)c1 10253813 CPFSYVZQHQJQAW-UHFFFAOYSA-N 416.268 4.883 0 40 HJAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1)c1cccs1 11150270 ILUMZAJRBDHADF-HNNXBMFYSA-N 403.504 4.525 0 40 HJAB Cc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCCCCC2)cc1 11905301 MJPOGSASGJAVCH-QHCPKHFHSA-N 403.526 4.997 0 40 HJAB CCOCc1cc(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)ccc1OC 12241247 BIVWOVDQELNAMK-UHFFFAOYSA-N 414.452 4.723 0 40 HJAB Nc1c(C(=O)Nc2cccc(Cl)c2)c2ccccn2c1C(=O)c1ccc(F)cc1 12342122 VMIANZAWRZRMJQ-UHFFFAOYSA-N 407.832 4.797 0 40 HJAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)NCc1ccc(F)cc1 12539133 UYFOHVVEVIMFAX-UHFFFAOYSA-N 420.465 4.576 0 40 HJAB NC(=O)c1ccc(N[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1 12553121 INPSAQAXPUSOLT-LJQANCHMSA-N 414.292 4.884 0 40 HJAB COc1ccc(CCC(=O)Nc2ccc(N3CCCC3)cc2C)cc1Br 12822728 QTZMQEINEBZWKH-UHFFFAOYSA-N 417.347 4.938 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(F)c(F)c1)CC2 13011565 WWXUKMBBLPHCFY-HSZRJFAPSA-N 409.432 4.770 0 40 HJAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(Br)c1 13634656 XUYNBZXOPKJXSJ-SFHVURJKSA-N 412.287 4.651 0 40 HJAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 13999709 GCTUWIROTVZSOB-RBUKOAKNSA-N 402.494 4.892 0 40 HJAB C[C@H](Sc1nnc(/C=C/c2ccc(F)cc2)[nH]1)C(=O)Nc1ccc2c(c1)CCC2 14898027 QWNHZPDRDUQCDV-GMMCIKNFSA-N 408.502 4.722 0 40 HJAB O=C(CN[C@H](c1ccccc1)c1ccc(Cl)cc1)NC(=O)Nc1ccccc1F 16684985 WJKSZIOPBVLXBE-OAQYLSRUSA-N 411.864 4.506 0 40 HJAB Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@H]2c2ccc(F)cc2)cc1 18093854 GADWBGIFKRVVDO-QFIPXVFZSA-N 417.509 4.703 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)NCCc3c[nH]c4ccccc34)s2)cc1 18245191 LSBATCBHYGZMLX-UHFFFAOYSA-N 423.567 4.522 0 40 HJAB COc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1C 19239594 XIUHRVQNLOTWDZ-IBGZPJMESA-N 410.905 4.810 0 40 HJAB COc1ccc(OC)c([C@@H](O)CN2CCc3sccc3[C@@H]2c2cccs2)c1 19551194 UNYKOJHHYVKMAP-LAUBAEHRSA-N 401.553 4.508 0 40 HJAB Cc1ccccc1[C@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1 20110335 ROHNJQMFKJXBIB-OAQYLSRUSA-N 403.906 4.997 0 40 HJAB CCCCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(OC)cc3)sc2c1 20411496 FUGCVBRCMJDZFS-KPKJPENVSA-N 410.495 4.914 0 40 HJAB CCCN1CCc2c(sc3ncn4nc(-c5ccc6ccccc6c5O)nc4c23)C1 20437374 UXIIAJSWLOKLJX-UHFFFAOYSA-N 415.522 4.633 0 40 HJAB CCCC(=O)N1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 20497442 BDTMHRSBAZVZIN-UHFFFAOYSA-N 419.569 4.586 0 40 HJAB Cc1csc2ncc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(=O)n12 20767571 VIKYLBUDBFETLA-UHFFFAOYSA-N 411.870 4.762 0 40 HJAB CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc3cccc(Br)c3o2)c1 32924552 XFHQNIJHFBRYSF-NSHDSACASA-N 401.260 4.645 0 40 HJAB CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(F)cc2)OC3=O)cc1 33026901 JFTZAMVASSLGJJ-JOCHJYFZSA-N 403.409 4.735 0 40 HJAB Cc1cccc(NC(=O)COc2cccc(-c3noc(-c4cccc(F)c4)n3)c2)c1 33327338 VAPYEBZNFFPIEE-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB COc1ccc(C(=O)O)cc1NCc1cccc(OC)c1OCc1ccccc1C 35287249 UOQODHBAVSFBJU-UHFFFAOYSA-N 407.466 4.902 0 40 HJAB COCCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12 36650575 QIBXIYSJENORBD-UHFFFAOYSA-N 407.495 4.549 0 40 HJAB Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccnn3Cc3ccc(Cl)cc3)cc2)n1 40131693 GFOCWUDRGICVTL-UHFFFAOYSA-N 419.916 4.569 0 40 HJAB Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3cc(F)ccc3F)s2)cc1 40139847 NVEIUZFZVOMTOI-DHDCSXOGSA-N 405.857 4.792 0 40 HJAB CCc1nc(NC(=O)c2ccc(Cl)cc2I)sc1C 44732667 RSXWGZWPOKHZJG-UHFFFAOYSA-N 406.676 4.524 0 40 HJAB COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1Cl 44899833 WXUCBOHPCFCFRH-NRFANRHFSA-N 401.915 4.725 0 40 HJAB CCOC(=O)[C@@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)C1 45887655 QBUXEATUSGELPH-GFCCVEGCSA-N 419.264 4.718 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N(C)CCOc1ccccc1 57273743 MIJFKINRTPRSPY-DEOSSOPVSA-N 404.510 4.694 0 40 HJAB CC[C@@H](C)n1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2cc(C)[nH]c2c1=O 67239144 HKKICPPSQWKTOE-OAHLLOKOSA-N 412.559 4.858 0 40 HJAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CCCN(C(=O)CC3CCCC3)C2)n1 72374926 GJQUVBPBQYMWNB-FQEVSTJZSA-N 407.562 4.827 0 40 HJAB Cc1nc(C[C@H]2CCCN(C(=O)C3CCCCC3)C2)cc(Nc2ncc(C)s2)n1 72382295 QRGQXJFEZUDVAB-QGZVFWFLSA-N 413.591 4.655 0 40 HJAB Cc1csc(SCC2CCN(C(=O)c3ccccc3Br)CC2)n1 90608091 YPFFCOPAIPVCKC-UHFFFAOYSA-N 411.390 4.859 0 40 HJAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cc(-c3ccc4ccccc4c3)[nH]n2)CC1 95349114 DQZCPJNDHSGWDU-UHFFFAOYSA-N 420.513 4.816 0 40 HJAB CN(C)c1nccc(CNCc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1 95463779 FLICKWIOVYEKOM-UHFFFAOYSA-N 417.340 4.718 0 40 HJAB COc1cccc(NC(=O)c2cc(-c3cn(-c4ccccn4)c(C)n3)n3ccccc23)c1 96154970 LQRHLVNQMCZZMY-UHFFFAOYSA-N 423.476 4.756 0 40 HJAB c1ccc([C@@H]2CCN(Cc3nn4c(-c5cc6ccccc6o5)nnc4s3)C2)cc1 96194455 ZMQRJTHTONOTAN-QGZVFWFLSA-N 401.495 4.589 0 40 HJAB Cc1ccc(F)c(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 98072936 QRTICXHSDVBKMG-UHFFFAOYSA-N 412.202 4.716 0 40 HJAB C[C@@H]1CC[C@@H]2C(=O)N(c3cc(Cl)ccc3OC(=O)c3cccs3)C(=O)[C@@H]2C1 100839482 AOANUSUIVYYTNG-KWCYVHTRSA-N 403.887 4.546 0 40 HJAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc5c(c4)OCO5)ccc32)c1 223084197 AQKRRIKXXNHQFV-UHFFFAOYSA-N 414.461 4.569 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1Cc1ccccn1 223530719 ORHNJIUANOVOCI-FGZHOGPDSA-N 403.555 4.566 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCC1 223790483 RCYGWIDSUCNSAP-SFHVURJKSA-N 412.961 4.667 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cccc(OC(C)C)c2)c1 224084390 YBNIVAWRFXFLKE-JCMHNJIXSA-N 404.466 4.785 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 225041595 URIQIKGQBFDOAG-UNMCSNQZSA-N 424.585 4.631 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 225091539 WGURSFCJQYGMMJ-ZWKOTPCHSA-N 400.950 4.523 0 40 HJAB O=C(Cc1cccc(Br)c1)Nc1nnc(SCc2ccccc2)s1 225624663 WJLZRLJGPDWGGM-UHFFFAOYSA-N 420.357 4.774 0 40 HJAB CO[C@@]1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCC[C@H](C)C1 225636828 AQBCKUTUANEWKK-RDPSFJRHSA-N 402.579 4.865 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 225666752 PQWJTYSHAUGMHH-IIBYNOLFSA-N 418.940 4.744 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 225861193 QEWVWAGBGSVGML-QAIWHXNASA-N 408.498 4.844 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@@]2(O)[C@H](C)OC(C)=O)C1 253500949 COXXOOWTEWCQRW-XKQNIYIQSA-N 420.590 4.644 0 40 HJAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)c(Cl)c4)OCC[C@@]31C2 257311586 UKFOZRWIPFEFAT-FUBVMCKASA-N 409.929 4.514 0 40 HJAB O=C(c1ccccc1F)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CC3)c12 306128508 HCKXXNMOFZGHIK-UHFFFAOYSA-N 417.484 4.623 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc(C)c1Cl 408705250 AMORHSASDWEPKR-HNNXBMFYSA-N 402.922 4.891 0 40 HJAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)c1ccccc1 409003334 RXODRHWJILZVAA-CYFREDJKSA-N 414.505 4.628 0 40 HJAB Cc1ccc(-c2cc(C(=O)N3CC[C@H](c4cc(C)c(Cl)cc4O)C3)n[nH]2)cc1C 1646339226 CFTDMOWMFCGALT-KRWDZBQOSA-N 409.917 4.991 0 40 HJAB Cc1ccc(S(=O)(=O)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C2CCCC2)cc1 914957 LMWCEEJXVOSLHU-UHFFFAOYSA-N 424.566 4.587 0 40 HJAB O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1cccc(C(F)(F)F)c1 1236708 VXBNZQJMPGIKGO-WJDWOHSUSA-N 420.412 4.771 0 40 HJAB COc1cc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc(OC)c1 2095933 QDHXHKBJSUJVCC-UHFFFAOYSA-N 421.449 4.745 0 40 HJAB biogenic CCCOc1c(Br)cc(C(=O)NCc2cccc(Cl)c2)cc1OC 2630201 XPIYGTXNOQZDFB-UHFFFAOYSA-N 412.711 4.830 0 40 HJAB Cc1ccc(-c2nnn3c2nc(NCc2ccc4c(c2)OCO4)c2ccccc23)cc1 2694147 BADHCYKITBRBJA-UHFFFAOYSA-N 409.449 4.594 0 40 HJAB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(Cl)c(Cl)c4)sc3nc12 2722968 NIIKOLJUCPDTHI-UHFFFAOYSA-N 404.278 4.777 0 40 HJAB CCOc1ccccc1C(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 2724676 ZFMDNJOCIKCJCX-QHCPKHFHSA-N 422.431 4.547 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2Cl)ns1 2925007 ZJCWJFMDPCYQGD-UHFFFAOYSA-N 405.932 4.988 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1c(Cl)ccc(C)c1Cl 3231798 ZPNDYEQHBRFLJR-UHFFFAOYSA-N 416.688 4.824 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CCC(=O)[C@@]2(C)OC(C)=O)C1 3849965 VQRXERHIFBGNDD-TXJIFLBDSA-N 418.574 4.852 0 40 HJAB COc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(Cl)cc32)cc1OC 4129892 QFVGSGCHLFXEJA-UHFFFAOYSA-N 409.848 4.930 0 40 HJAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 4517724 AGZIMUGZOBTGRW-UHFFFAOYSA-N 408.504 4.619 0 40 HJAB O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccccn1 4869229 VXGIDQSYMHGAKB-DEOSSOPVSA-N 412.518 4.709 0 40 HJAB CCCn1nc(NC(=O)c2cc(OC)cc(OC)c2)c2cc3cccc(C)c3nc21 5156248 JBQMYVMWKOYPSQ-UHFFFAOYSA-N 404.470 4.572 0 40 HJAB CC(C)(C)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)Nc1cccc(C(F)(F)F)c1 5383648 FCRLCVXYXQVJFU-GOSISDBHSA-N 419.447 4.579 0 40 HJAB CC(C)(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(N)=O)cc1 5516945 HTSWUHRYGGCYRZ-SAPNQHFASA-N 414.505 4.661 0 40 HJAB COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 5561920 SKMHQMYRDGGTHR-QHCPKHFHSA-N 411.457 4.855 0 40 HJAB CCc1ccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 6283946 KJAWFHWLTCLCIK-UHFFFAOYSA-N 406.873 4.654 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1nncn1-c1ccccc1)c1ccccc1 6831648 ULJXNLBYYOIXIK-FQEVSTJZSA-N 404.470 4.879 0 40 HJAB O=C(Nc1ccccc1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 7069560 AWZVGOXEWZXYJL-UHFFFAOYSA-N 405.461 4.794 0 40 HJAB O=C(NCc1ccccc1)c1ccccc1OCc1ncc(-c2ccc(F)cc2)o1 8185289 DXVZOTLFCAUVHE-UHFFFAOYSA-N 402.425 4.990 0 40 HJAB COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8229676 AXUPUFWNBWZOAS-INIZCTEOSA-N 418.522 4.510 0 40 HJAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O 8625809 FZZQMHBNQBPUEM-SFHVURJKSA-N 415.468 4.753 0 40 HJAB COc1ccc(-c2c(-c3ccc(OCCN4CCCCC4)c(C)c3O)n[nH]c2C)cc1 9059912 ZPFGUWYVXBEIJK-UHFFFAOYSA-N 421.541 4.939 0 40 HJAB Cc1cccc(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)c1 9250369 URUOPPMOKNNQEG-UHFFFAOYSA-N 420.534 4.933 0 40 HJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc2)n1 9633157 QUTDDQZJJIIMRO-UHFFFAOYSA-N 421.551 4.885 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)Cc3ccc4c(c3)OCO4)cc12 9712461 WEVYPOVJMOWCCN-UHFFFAOYSA-N 423.469 4.535 0 40 HJAB CC(C)(C)C(=O)N1CCC2(CC1)C[C@@]1(CO2)Nc2cc(Cl)ccc2-n2cccc21 12120958 RGCCOYDQVOKPTI-QHCPKHFHSA-N 413.949 4.579 0 40 HJAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(NC(=O)c2ccco2)n(C(C)C)c1C 12391993 MXZRICOWRWMAKD-UHFFFAOYSA-N 404.463 4.503 0 40 HJAB C[C@@H](NC(=O)[C@@H](C)N1CCC(c2nc3ccccc3s2)CC1)c1ccc(F)cc1 12821363 AQIDDXSIBILVJX-HZPDHXFCSA-N 411.546 4.881 0 40 HJAB CC(C)c1ccc(-c2nnc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3)s2)cc1 12860368 PQUBHVQASQXSDP-LJQANCHMSA-N 420.538 4.572 0 40 HJAB CC(=O)Nc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 14075790 ZSGSWFSXGXBBLN-UHFFFAOYSA-N 405.523 4.829 0 40 HJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(CC)cc2)CC1=O 14095543 GBMNCXNHHGMIFJ-FQEVSTJZSA-N 405.542 4.794 0 40 HJAB O=C(NCCCSc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccnc1 14125753 JWVLMPKRWBCSAZ-UHFFFAOYSA-N 414.534 4.847 0 40 HJAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NCc1ccc(COCC(F)(F)F)cc1 14162412 NCQUFIWUAYSIPU-UHFFFAOYSA-N 417.859 4.510 0 40 HJAB COc1ccc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)cc1 15881566 MALHJUHLKWMSIL-UHFFFAOYSA-N 404.470 4.537 0 40 HJAB CCc1cccc(NC(=O)Cn2c(CC)nc3c(sc4cccc(F)c43)c2=O)c1 16843849 XDIDBMOTOKYICS-UHFFFAOYSA-N 409.486 4.514 0 40 HJAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(Br)cc3F)n2)cc1 18945146 RPXDBDZYGJENPQ-UHFFFAOYSA-N 404.239 4.518 0 40 HJAB COc1c(C)cccc1CN1CCC([C@@H](NC(=O)CC(C)C)c2ccccn2)CC1 19235926 SBSYOISJZAMVLC-XMMPIXPASA-N 409.574 4.514 0 40 HJAB CCSc1ncc(CN(Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cn1 19520512 CAHMHMUAOKMQFF-RBBKRZOGSA-N 423.586 4.694 0 40 HJAB CCn1ncc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1C 19523965 QENZFIVCZRQUHF-FQEVSTJZSA-N 408.502 4.712 0 40 HJAB Cc1cc(C)n(Cc2c(C(=O)Nc3ccc4nc(C(C)C)sc4c3)noc2C)n1 19574357 QZCRXSSBBMYBOU-UHFFFAOYSA-N 409.515 4.830 0 40 HJAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@H]3c3ccc(Cc4ccccc4F)cn3)c2c1 19688467 JJTBAYAYFSMLJD-QHCPKHFHSA-N 414.484 4.974 0 40 HJAB FC(F)(F)c1ccc(OCCc2cc([C@H]3CCCN3Cc3ccncc3)n[nH]2)cc1 19703708 KZTJVNYPGJMZAH-OAQYLSRUSA-N 416.447 4.782 0 40 HJAB O=C1CCC[C@@H]2[C@@H](CCN2Cc2cccc3cccnc23)N1Cc1ccc(F)cc1 19713270 BINLLWGAIQKFEZ-DHIUTWEWSA-N 403.501 4.530 0 40 HJAB COc1ccc2nc(S[C@H](C(=O)NCc3ccc(F)cc3)c3ccccc3)[nH]c2c1 19926663 JBSLKKOHUWCPQG-NRFANRHFSA-N 421.497 4.860 0 40 HJAB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCc1ccc(F)cc1)C3 20412244 DHWAQPONCULMBT-UHFFFAOYSA-N 401.865 4.933 0 40 HJAB CN(C(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)C1CCCCC1 20457970 MDZIGMQNYDHMPR-RUZDIDTESA-N 422.594 4.908 0 40 HJAB C[C@H](c1nc2ccccc2n1C(F)F)N1CCN(Cc2ccc(Cl)cc2)CC1 22792809 JNHKUFUABZDVJS-OAHLLOKOSA-N 404.892 4.964 0 40 HJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN(Cc1ccccc1)C(C)C 25821093 WYTHXRKHPCGJGW-UHFFFAOYSA-N 424.463 4.580 0 40 HJAB COc1cc(NC(=O)c2ccc(CN3CCCCCC3)cc2)c(OC)cc1Cl 30942762 SLSRFSPZTXPSQZ-UHFFFAOYSA-N 402.922 4.986 0 40 HJAB Cc1nn(-c2ccc(C(=O)Nc3cc(F)ccc3F)cc2)c(C)c1Br 31873792 CVWZEMFAPOOFJE-UHFFFAOYSA-N 406.230 4.782 0 40 HJAB Cc1ccc(-c2csc(-n3c(NC(=O)COc4ccccc4C)cnc3C)n2)cc1 32616128 CCRYDHPOLNPPKH-UHFFFAOYSA-N 418.522 4.939 0 40 HJAB CC(C)C(=O)Nc1cccc(CNC(=O)N[C@H](C)c2cccc(Br)c2)c1 32795590 NVGFCGHDZRRDRO-CQSZACIVSA-N 418.335 4.604 0 40 HJAB Cc1cc(NC(=O)CSc2nc3ccccc3o2)n(-c2nc3ccccc3s2)n1 35298120 PQWAANFWGIUJIS-UHFFFAOYSA-N 421.507 4.662 0 40 HJAB CCc1cc(C(=O)N2CCC[C@H](C)C2)c2c(C3CC3)nn(-c3ccccc3F)c2n1 36621660 LRWFETNAHAKTHY-HNNXBMFYSA-N 406.505 4.872 0 40 HJAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 38855165 AZABBRGIVUYUCZ-UHFFFAOYSA-N 407.558 4.557 0 40 HJAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)cn2)cc1C 40122699 MTJHFQIKVBYCQQ-GOSISDBHSA-N 419.481 4.575 0 40 HJAB C[C@@H]1CCC[C@@H](n2ccc3c(nnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)[C@@H]1C 40392418 HLOYQJFECJUBSL-HBUWYVDXSA-N 407.905 4.757 0 40 HJAB CC(C)c1ccc(NC(=O)NCc2cccc(NS(C)(=O)=O)c2)c(C(C)C)c1 44246859 QFKLNOWKTXBMEC-UHFFFAOYSA-N 403.548 4.627 0 40 HJAB O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Cl)cc1)N1CCSCC1 64471680 IZJBHFIAUFCWOY-UHFFFAOYSA-N 401.894 4.960 0 40 HJAB COC(=O)c1ccccc1Nc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc12 64471903 PWUBGEJEUXKLDY-UHFFFAOYSA-N 407.445 4.530 0 40 HJAB CCOc1ccc(C(=O)NC2(c3nc(C(C)C)no3)CCCCC2)cc1OCC 65257851 NMINNYHEJYYZEI-UHFFFAOYSA-N 401.507 4.580 0 40 HJAB Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc(C(C)C)cc2)c1 67246371 QVTORNDYASASEV-UHFFFAOYSA-N 404.514 4.674 0 40 HJAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)cc2F)n1 67297909 YJKTYXCJSDZTJH-ROMGYVFFSA-N 407.376 4.605 0 40 HJAB Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2C(=O)c2cc3c(C)cccc3[nH]2)n1 72372630 GHCXGULNEKFNDG-JOCHJYFZSA-N 412.497 4.691 0 40 HJAB CC(=O)N[C@H](CC(=O)Nc1cccc2c1CN(CC(C)C)C2)c1ccc(Cl)cc1 89840214 AGEVUZMRFJBXGT-JOCHJYFZSA-N 413.949 4.518 0 40 HJAB CCn1cc(C(=O)OCc2coc(-c3cccs3)n2)c(=O)c2cc(Cl)ccc21 95349983 QGIFEVYJESNOSS-UHFFFAOYSA-N 414.870 4.748 0 40 HJAB CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](c3ccc(N(C)C)cc3)[C@@H]1[C@H]2C 100742465 MATUOSYEEAMWHP-OVRWTRITSA-N 400.563 4.793 0 40 HJAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1 103717330 TWSXSIYMGGKTEU-CYBMUJFWSA-N 421.722 4.657 0 40 HJAB C[C@@H](NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1)[C@H]1C[C@H]2CC[C@H]1C2 108858668 QLKRCHVENNKNSU-NHAYFPRASA-N 403.950 4.636 0 40 HJAB C[C@@H](COc1ccc(Cl)cc1)NC(=O)c1ccc2c(c1)nnn2C1CCCCC1 141587949 XQTKCJKYAKOWHK-HNNXBMFYSA-N 412.921 4.787 0 40 HJAB CCc1ccc(OCC(=O)NCCSC2CCCCC2)c(Br)c1 218861773 ILBSWKGDUJWEGV-UHFFFAOYSA-N 400.382 4.572 0 40 HJAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl 222822090 ZPOBFLHPAWKBAO-GFCCVEGCSA-N 413.732 4.700 0 40 HJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 222942046 UEUOBVLGXNDDOS-QGZVFWFLSA-N 413.543 4.912 0 40 HJAB O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 224926795 LUBHDZDOYKAGPZ-UHFFFAOYSA-N 415.940 4.930 0 40 HJAB Cc1ccccc1OC[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225586520 SKCNIPHJPRTUOA-KRWDZBQOSA-N 418.940 4.583 0 40 HJAB COC(=O)c1ccc(OCc2cccc3ccccc23)c(I)c1 226325014 HYJMPFJEYFNPTE-UHFFFAOYSA-N 418.230 4.810 0 40 HJAB Nc1nnc(-c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)o1 226341909 BLCZCSUPSYTRGS-UHFFFAOYSA-N 415.074 4.967 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(C(=O)O)o3)c(Cl)c2)cc1 226355313 DTDVAZFKDCCPAS-UHFFFAOYSA-N 414.870 4.733 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(Cc3cccc4ccccc34)n2C)c1 408561900 LLKQHHQCMLYCEX-UHFFFAOYSA-N 402.523 4.598 0 40 HJAB COc1ccc([C@@]2(O)CC(C)=NN2C(=O)COc2ccc(C3CCCCC3)cc2)cc1 408563538 MVMUHXZPCPKGHO-VWLOTQADSA-N 422.525 4.575 0 40 HJAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(N3CCCCC3)o2)S1 408815170 POICAIJYIJONOV-UHFFFAOYSA-N 402.927 4.995 0 40 HJAB CC(C)Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc(Cl)cc1 409099671 SQXQXNRSOAOLCP-UHFFFAOYSA-N 414.962 4.663 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)CCc3ccccc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409362605 SCGXGZJWPMHRQW-CBGDNZLLSA-N 410.480 4.921 0 40 HJAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(C(=O)c3ccccc3Cl)CC2)c1 585274009 YBVKZCVTTNVYPT-OAQYLSRUSA-N 408.325 4.738 0 40 HJAB CC1(C)C[C@]2(CCCN2C(=O)c2ncccc2C(F)(F)F)CN1c1ccc(F)cc1 2037988515 PYDMAERLOKVDMY-OAQYLSRUSA-N 421.438 4.903 0 40 HJAB CC[C@H](C)OC(=O)[C@H](C)n1cnc2scc(-c3ccc(OC(C)C)cc3)c2c1=O 1784788 OOQWFVMURNJBRG-GJZGRUSLSA-N 414.527 4.815 0 40 HJAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H](C)SC2=N1 2256384 WVKQZNGKFUZXKK-BMIGLBTASA-N 413.326 4.594 0 40 HJAB CC(C)(C)N(Cc1ccccc1)C(=O)CNc1ccc(I)cc1 3257568 KMAMKJSIYWAFJO-UHFFFAOYSA-N 422.310 4.530 0 40 HJAB Cc1ccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1NC(=O)c1ccco1 3534445 DWXONNFUCXVVSQ-UHFFFAOYSA-N 414.408 4.714 0 40 HJAB COCCCNC(=O)Cc1c(C)c2cc3c(-c4ccccc4)c(C)oc3cc2oc1=O 4089279 DMAJBDDJEYYKTO-UHFFFAOYSA-N 419.477 4.518 0 40 HJAB biogenic COc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccccc3s2)c(OC)c1 4304732 YVXGGILIRJYFGK-UHFFFAOYSA-N 405.479 4.556 0 40 HJAB COc1ccc([C@@]2(OC)Oc3cc(OC)ccc3-c3nc4ccccc4nc32)cc1 4945949 VODKBINZIUJCJL-XMMPIXPASA-N 400.434 4.554 0 40 HJAB Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2ccccc2)no1 5322887 NMIIRWXMWNQLMY-IBGZPJMESA-N 406.825 4.801 0 40 HJAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1 5459555 LTSUOYBENMCJKQ-HXUWFJFHSA-N 411.505 4.944 0 40 HJAB CCOc1ccc(-c2nnc(S[C@H](C(=O)N3CCCC3)c3ccccc3)o2)cc1 5561313 ZKLDZCZFDIZCTE-IBGZPJMESA-N 409.511 4.591 0 40 HJAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 6270419 FULQZMQSFAPYHV-XNTDXEJSSA-N 412.898 4.793 0 40 HJAB Cc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc(N4CCC(C)CC4)cc3)ccc12 6719159 TUYGGUWDTNZBMN-UHFFFAOYSA-N 420.509 4.664 0 40 HJAB Cc1cccc(NC(=O)[C@H]2Sc3nnc(-c4ccccc4)n3NC23CCCCC3)c1 6811750 RNMRGIWJWNTFRU-LJQANCHMSA-N 419.554 4.613 0 40 HJAB biogenic Cc1ccc(Cl)cc1N1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 6865600 VVQXCGOEVWUTHM-UHFFFAOYSA-N 407.341 4.808 0 40 HJAB CC(C)C(=O)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 8673666 FLDMJIGMBFGOEA-UHFFFAOYSA-N 411.552 4.572 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)c1 8686752 CCGOLWLWLUHSGR-UHFFFAOYSA-N 411.552 4.913 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc4ccccc34)[C@H]2C(=O)N1c1ccccc1 9075723 VXFPKSQCUVGEPQ-UBFVSLLYSA-N 420.468 4.891 0 40 HJAB O=c1oc2cc(O)ccc2cc1-c1nnc(Nc2ccccc2Br)s1 9246785 PQDGKDWBNLEJLN-UHFFFAOYSA-N 416.256 4.523 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@H](c3cc4cccc(C)c4nc3Cl)C2)cc1OC 9434099 RVZDTPXDDZUURQ-IBGZPJMESA-N 423.900 4.911 0 40 HJAB C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N1[C@H](C)CCC[C@H]1C 9494356 LSECTTZCWRMBDU-GMTAPVOTSA-N 420.888 4.672 0 40 HJAB COc1ccccc1[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(C)c2)c2ncnn21 10060404 LHPTXKOBYJDALC-DHIUTWEWSA-N 424.504 4.976 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(-c3ccc4nnc(-c5ccncc5)n4n3)cc2)cc1C 11665533 AEKLVUAXCAIOQH-UHFFFAOYSA-N 420.476 4.722 0 40 HJAB CCCc1cc2c(=O)c(-c3nc4ccccc4s3)c(CCC(=O)O)oc2cc1O 11867624 SDAXEZNYJPOQCF-UHFFFAOYSA-N 409.463 4.745 0 40 HJAB O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C1CCCC1 12183388 UXJCZIUQOCKKTN-YLJYHZDGSA-N 419.541 4.681 0 40 HJAB O=C1C[C@@H](c2ccsc2)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 12374650 RDLIBQXEQYHTNP-ZDUSSCGKSA-N 409.941 4.770 0 40 HJAB CCOc1ccc2c(c1)C(c1ccncc1)=NNC(c1ccc(Br)cc1)=N2 12484905 GEFKHLGNHPOHMA-UHFFFAOYSA-N 421.298 4.677 0 40 HJAB CC(C)c1ccc([C@@H](C)NCCS(=O)(=O)c2ccc(Br)cc2)cc1 12766445 DOBCGNFEWLRTGM-OAHLLOKOSA-N 410.377 4.697 0 40 HJAB Cc1csc(SCc2ccccc2C(=O)Nc2cccc(C(=O)NC3CC3)c2)n1 13007267 MZTPIVRQIROXSF-UHFFFAOYSA-N 423.563 4.888 0 40 HJAB CC(C)[C@@H](NC(=O)CCn1ncc(=O)c2ccccc21)c1ccc(C(C)(C)C)cc1 13019890 RBOAWBFERRRNQZ-XMMPIXPASA-N 405.542 4.598 0 40 HJAB CSc1nc(N(C)CCO)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 13786947 RMTVBINKWQBBBO-UHFFFAOYSA-N 422.579 4.546 0 40 HJAB O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@@H](c1ccco1)N1CCCC1 14246498 DRLVSDWLVVMTLZ-SFHVURJKSA-N 415.946 4.552 0 40 HJAB C[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 15314347 KYVBRSQEHARVGI-BQSCNCKTSA-N 420.597 4.660 0 40 HJAB Cc1nc2cc(NC(=O)c3cc(Br)c(Br)s3)ccc2o1 15578322 MDDBNQUXCNYYRK-UHFFFAOYSA-N 416.094 4.975 0 40 HJAB CC(C)OCCCNC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 15913789 ICXFTTJUVHTCPG-VAWYXSNFSA-N 409.555 4.604 0 40 HJAB COc1c(C)cccc1C(=O)NC(=S)NNc1c(Cl)cc(Cl)cc1Cl 16362340 FEUVDHCYCMKTDR-UHFFFAOYSA-N 418.733 4.595 0 40 HJAB CCn1c2ccccc2c2cc(CN3CCN(C(=O)c4cccs4)CC3)ccc21 19831365 GHGKDYVOXMAZQR-UHFFFAOYSA-N 403.551 4.834 0 40 HJAB COc1ccc(Br)cc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 20141259 GYSGULDYTGHIBT-UHFFFAOYSA-N 416.271 4.771 0 40 HJAB O=C(O)COc1ccc(NC(=O)Cc2ccccc2)cc1-c1nc2ccccc2s1 20158335 AMKUMZSZWFVTCJ-UHFFFAOYSA-N 418.474 4.608 0 40 HJAB CCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(CC)cc3)CC2)cc1 20528449 HFDAODOUYLUFBP-UHFFFAOYSA-N 407.558 4.730 0 40 HJAB O=C(CCC(=O)c1cccs1)NCCSCc1ccc(Br)s1 23151500 VYZLFBXHDXQPMF-UHFFFAOYSA-N 418.403 4.585 0 40 HJAB Cc1ccc2oc(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)cc(=O)c2c1 28289881 SXUDKZMGUUDJMW-GOSISDBHSA-N 410.539 4.510 0 40 HJAB CCN1C(=O)COc2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc21 28404430 BDVNKNQUPWJUHD-UHFFFAOYSA-N 400.887 4.861 0 40 HJAB Cn1c([C@H]2COc3ccccc3O2)nn(CN[C@H](c2ccccc2)C(C)(C)C)c1=S 32911743 LEMANTQCYJGWGZ-WOJBJXKFSA-N 424.570 4.798 0 40 HJAB O=C(NCc1ccccc1)c1sc(=S)n2c1nc(O)c1cc(Cl)ccc12 33251335 LTAZNWALJILJCN-UHFFFAOYSA-N 401.900 4.567 0 40 HJAB CN(Cc1ccc(Br)s1)C(=O)NCc1coc(-c2cccs2)n1 40024945 SRXGAONVACBSMW-UHFFFAOYSA-N 412.334 4.569 0 40 HJAB CN(C(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1)c1ccccc1 40142956 JZVGVBTZUMKFCZ-UHFFFAOYSA-N 413.271 4.595 0 40 HJAB C[C@@H](C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)n1ccnc1 40143810 QOBXKMNIIIQFAX-KRWDZBQOSA-N 419.916 4.609 0 40 HJAB CN(Cc1cnn(-c2ccccc2)c1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 57270785 PJHCICUBIVKZPF-DEOSSOPVSA-N 414.484 4.823 0 40 HJAB CCN(CC)C(=O)c1ccc(NC(=O)CN[C@H](C)c2cccc3ccccc23)cc1 58159658 NGLFMHOXBZGLAD-GOSISDBHSA-N 403.526 4.611 0 40 HJAB C[C@@H]1CCN(C(=O)COC(=O)c2[nH]c3ccccc3c2Cl)c2ccccc2S1 58195681 VYOJMLNRMKBAOK-CYBMUJFWSA-N 414.914 4.896 0 40 HJAB CC(C)c1ccc(C(=O)Nc2sccc2C(=O)Nn2cnc3ccccc32)cc1 59855224 UKCLMZTVTXVYTD-UHFFFAOYSA-N 404.495 4.857 0 40 HJAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 65513754 PXKHHYUSMXRXIF-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)c(F)c2)nc1 67294322 ACHOLVRRXFUIHG-ROMGYVFFSA-N 407.376 4.605 0 40 HJAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 72353998 IFBAXBNYJYPUNE-HXUWFJFHSA-N 422.960 4.696 0 40 HJAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72356467 SUJUVRBWMCYHBC-GOSISDBHSA-N 400.457 4.784 0 40 HJAB COc1nc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc2ccccc12 83915488 OBHNJFAIYCXAGS-UHFFFAOYSA-N 403.482 4.512 0 40 HJAB O=C(NC1CCC2(CC1)OCCO2)c1csc(-c2ccc(Cl)c(Cl)c2)n1 84357531 DCMVQTRVJFMYCZ-UHFFFAOYSA-N 413.326 4.532 0 40 HJAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)cc1 96234445 LTKKIEZBWAYWPX-ZDUSSCGKSA-N 417.918 4.538 0 40 HJAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)N[C@H](C)CC)cc1 222612585 IBZKKKWGNYFFSV-BWKNWUBXSA-N 422.613 4.946 0 40 HJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 223746717 CAPNJUQZQCGTGL-QZTJIDSGSA-N 401.944 4.982 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCCCCCC3)c2)cc1 224148392 MVEMTCNUHVFFTK-UHFFFAOYSA-N 414.571 4.663 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224752941 ZKDQDPIYOJYIRE-OAQYLSRUSA-N 406.570 4.712 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 224807665 IPFCECMPXTZXQO-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1C(C)C 224979414 QACXKGUZQRMACK-UHFFFAOYSA-N 402.560 4.918 0 40 HJAB COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCC1 225009824 AHEAHFZTJNFQTO-PKTZIBPZSA-N 418.566 4.796 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 225193214 RIWWXVHDBJDYPP-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB CCOC(=O)c1c(NC(=O)Cc2cccc(Br)c2)sc2c1CCCC2 225615478 RYGVOICVZITPPQ-UHFFFAOYSA-N 422.344 4.747 0 40 HJAB O=C([C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)N1CCOc2ccccc21 225910240 AVCDVOAQPRBERA-OAHLLOKOSA-N 405.325 4.631 0 40 HJAB O=C(NCC[C@H]1CCCCN1C(=O)C1(c2ccc(F)cc2)CCCC1)c1ccccc1 257217819 DATLNXXXYGLTTD-HSZRJFAPSA-N 422.544 4.839 0 40 HJAB Cc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N[C@@H]3Cc2ccccc2)s1 257270628 MUZNFYLMYJOXOU-FPFQSLQCSA-N 409.599 4.506 0 40 HJAB Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1Cl 408548485 SPIURYUZYTXDQQ-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB O=C(Nc1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1)c1ccccc1 408672255 MXADWCXBWZYXSY-UHFFFAOYSA-N 421.250 4.502 0 40 HJAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1Cl 408703310 RMIIDQSCVWLJFQ-UHFFFAOYSA-N 420.962 4.630 0 40 HJAB COc1ccc2oc(C(=O)Nc3ccc(I)cc3C)cc2c1 409186909 JJGZPADRPXMVSP-UHFFFAOYSA-N 407.207 4.607 0 40 HJAB O=C(N[C@H](C(=O)O)C1CCC(F)(F)CC1)OCC1c2ccccc2-c2ccccc21 1082922814 UFHACDQPDBSWER-FQEVSTJZSA-N 415.436 4.804 0 40 HJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)NC12CC3CC(CC(C3)C1)C2 1775966885 LFQWORREHCLDKF-BFKIHDCISA-N 402.585 4.778 0 40 HJAB CC(C)c1ccc(OCC(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)cc1 692732 UXMBHMBJGMCPDU-UHFFFAOYSA-N 418.493 4.845 0 40 HJAB CCOC(=O)c1c(CSc2ccccn2)n(C)c2cc(Br)c(O)cc12 778188 FMNDPFCKXGYZTH-UHFFFAOYSA-N 421.316 4.510 0 40 HJAB CCOc1cc(NC(=O)c2ccccc2F)c(OCC)cc1NC(=O)c1ccco1 929356 SSVCJGJYFJKQEN-UHFFFAOYSA-N 412.417 4.721 0 40 HJAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1 987035 RSCGOZOTVRXSKS-SFHVURJKSA-N 402.560 4.630 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)N2N=C3CCCCC[C@@H]3[C@]2(O)C(F)(F)F)c1 1101564 JFOGMNFBZIQMFT-JXFKEZNVSA-N 412.452 4.527 0 40 HJAB COc1ccc(CN(Cc2ccccc2F)C(=O)c2cc3ccccc3oc2=O)cc1 1330006 ZLQVWYKOIRASBG-UHFFFAOYSA-N 417.436 4.783 0 40 HJAB COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccc(Cl)cc2)ccc1O 2213509 HAZRINAWSLTYFD-WWPVKYPJSA-N 401.934 4.923 0 40 HJAB COc1ccc(-c2c(C)nc(N)nc2-c2ccc(OCc3ccccc3)cc2O)cc1 2404887 AQSZWKLESCGBFN-UHFFFAOYSA-N 413.477 4.994 0 40 HJAB biogenic CC(=O)Nc1ccc(C(=O)Nc2ccc(Sc3nc4ccccc4[nH]3)cc2)cc1 3348548 HLEXROHIXDVBDV-UHFFFAOYSA-N 402.479 4.925 0 40 HJAB CC[C@H]1CCCCN1Cc1cn2c(-c3ccc(Br)cc3)nnc2s1 4107102 FDYBHQHENKZHSI-HNNXBMFYSA-N 405.365 4.985 0 40 HJAB Cc1ccc2nc(N(CCCN(C)C)C(=O)COc3ccc(Cl)cc3)sc2c1 4359537 FVSUGONHFLQLEA-UHFFFAOYSA-N 417.962 4.622 0 40 HJAB O=C(Cn1cnc2ccccc21)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 5191002 LLFKSOFZSITEDV-FQEVSTJZSA-N 404.857 4.661 0 40 HJAB O=C(Nc1ccc(F)c(F)c1)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O 5270846 GBEYQGJRKWKMCP-UHFFFAOYSA-N 409.219 4.734 0 40 HJAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1Cc1ccccc1 6083270 FFLWATMRORAIJH-QHCPKHFHSA-N 404.485 4.810 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)c1 6177907 YIVDWAJVRMJOGK-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB COc1ccc(OC)c(/C=C/C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)c1 6346752 MMZWIJHQIBBZGG-NTCAYCPXSA-N 417.461 4.713 0 40 HJAB Cc1cc(I)ccc1NC(=O)c1ccccc1C(F)(F)F 6566628 UQXRGQSSPWPUOB-UHFFFAOYSA-N 405.157 4.871 0 40 HJAB COc1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)cc1 6642416 XAXWXKBSOOOXDQ-GERDGRBOSA-N 421.537 4.612 0 40 HJAB biogenic O=c1c2c(-c3ccco3)csc2nc(SC[C@H]2CCCO2)n1-c1ccccc1 7085252 VOQDJROGWINASE-OAHLLOKOSA-N 410.520 4.978 0 40 HJAB CC(C)COc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1 7389366 HGSURBJCRPYSRZ-UHFFFAOYSA-N 401.466 4.855 0 40 HJAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)Nc1cccc(F)c1 7790031 WKUKAFICBBETSQ-UHFFFAOYSA-N 407.474 4.631 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c(C)c1 7881146 MAYRNUREIARXTE-UHFFFAOYSA-N 414.571 4.737 0 40 HJAB O=C(NC1CCCCC1)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 9062807 SBRWVKJJHLQVNE-UHFFFAOYSA-N 419.569 4.600 0 40 HJAB C[C@@H]1CSC(N(C(=O)c2ccc3c(c2)NC(=O)CS3)c2ccc(Cl)cc2)=N1 9125658 YFXHHBZIJIMAHC-LLVKDONJSA-N 417.943 4.522 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccn4c3NC(C)(C)C)C2)on1 12128082 OFCLVNHACAWTSX-MRXNPFEDSA-N 409.534 4.676 0 40 HJAB CN(C)CCN(C(=O)CCSc1ccccc1)c1nc2c(F)cc(F)cc2s1 12226932 GHWFIPKVUFSILH-UHFFFAOYSA-N 421.538 4.652 0 40 HJAB CCOc1ccc(OCC)c(NC(=O)COc2cccc(Oc3ccccn3)c2)c1 12526736 SMFUDJNQIRKOFT-UHFFFAOYSA-N 408.454 4.689 0 40 HJAB O=C(OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1)C1CCC1 12599652 UVGVPVIAVQBENX-XMMPIXPASA-N 412.489 4.861 0 40 HJAB Cc1noc([C@H](C)Sc2nc3scc(-c4ccc(C)c(C)c4)c3c(=O)n2C)n1 12914079 QNNYARHKOSAJCA-LBPRGKRZSA-N 412.540 4.824 0 40 HJAB CC[C@@H](C)c1ccccc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12979189 LCGKRNKHKZEMPJ-OAHLLOKOSA-N 409.555 4.879 0 40 HJAB CC(C)[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 13016194 PMHRWGBDTTTZMZ-NRFANRHFSA-N 401.572 4.656 0 40 HJAB O=C(NC1CC1)[C@@H](Sc1nnc(Nc2ccc(F)cc2)s1)c1ccccc1 14198393 LCQCITDNJQALFB-INIZCTEOSA-N 400.504 4.533 0 40 HJAB O=C(Nc1ccccc1Cl)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 15882828 FWPVBXXDVYRCNN-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1 17093728 PBTVBRUHYDCMGX-UHFFFAOYSA-N 423.925 4.648 0 40 HJAB CC(C)Nc1ncc(-c2cccnc2)c(C2CCN(Cc3cccc(F)c3)CC2)n1 19450336 MUGWSLAVMJIESA-UHFFFAOYSA-N 405.521 4.878 0 40 HJAB CCc1cc(C(=O)N2CCC[C@@H]2c2nnc(-c3nccc4ccccc34)o2)cs1 19522121 PIAOKZCNLOWCKZ-GOSISDBHSA-N 404.495 4.886 0 40 HJAB CNc1cc(CC2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)nc(C)n1 19758691 IQCQBYZSGKUCQS-UHFFFAOYSA-N 400.526 4.589 0 40 HJAB O=S(=O)(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1cccs1 22197348 JUZWEJUGOYKZKH-UHFFFAOYSA-N 405.451 4.961 0 40 HJAB O=C(O)CSc1nnc(-c2ccccc2OCc2ccccc2)n1-c1ccccc1 26960085 VUEZAUYQWASRJC-UHFFFAOYSA-N 417.490 4.690 0 40 HJAB CCSc1ncc(Br)c(C(=O)Nc2ccccc2C(F)(F)F)n1 27748038 YLCBOWRXFKDMBP-UHFFFAOYSA-N 406.227 4.622 0 40 HJAB CC(C)c1c(C(=O)N2CCc3sccc3C2)cnn1-c1ccc(C(F)(F)F)cn1 31834408 VZYIMOJFXUQTRI-UHFFFAOYSA-N 420.460 4.670 0 40 HJAB Cn1ccnc1COc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1 40134889 SQMSAUNYSXJHID-UHFFFAOYSA-N 411.552 4.730 0 40 HJAB Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3ccc(F)cc3)CC1)CC(C)(C)O2 44855245 GLRHQTUKNROOSV-JOCHJYFZSA-N 410.533 4.765 0 40 HJAB COc1ccc([C@@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1 44886092 NDYBXJHEUBRDGT-CQSZACIVSA-N 414.299 4.867 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 44911882 OBTPKKZJEKLDIG-UHFFFAOYSA-N 414.933 4.676 0 40 HJAB Cn1c(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c(Br)c2ccccc21 45018995 MPCOZIIVMYQROV-UHFFFAOYSA-N 401.289 4.645 0 40 HJAB COc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)c1 46078575 GHAWVDUEQPGZMO-UHFFFAOYSA-N 400.478 4.849 0 40 HJAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)cc1OCC 46619088 RUNKPULGIZHMAG-INIZCTEOSA-N 401.503 4.772 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)N1CCN(c2ccccc2F)CC1 54072943 PJKAQXZXTABKHO-RUZDIDTESA-N 400.501 4.922 0 40 HJAB CC(C)n1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccc(Cl)cc1 57291771 CVPBXRNIALZBBL-UHFFFAOYSA-N 411.918 4.708 0 40 HJAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCc3ncc(C(C)(C)C)o3)c12 72309344 YBNPUQBGJYZRBV-UHFFFAOYSA-N 409.534 4.588 0 40 HJAB CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(C)cc3)CC2)[nH]n1 72331273 RQFCAJXXPVUXIO-UHFFFAOYSA-N 418.541 4.526 0 40 HJAB NC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccc(Cl)c2)CC1 72345262 DVWZOVZIHLFDCJ-UHFFFAOYSA-N 419.956 4.712 0 40 HJAB CC(=O)NCc1cnc([C@@H]2CCCN2CCCc2ccccc2)cc1C(F)(F)F 72356137 BNDXCMNTFQPYKJ-NRFANRHFSA-N 405.464 4.506 0 40 HJAB CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 72358392 KCCFYZKBIAIPJM-HXUWFJFHSA-N 404.489 4.621 0 40 HJAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)Cc2ccccc2)n1 72390723 IYWGJRRAHIXRJJ-FQEVSTJZSA-N 404.514 4.607 0 40 HJAB O=C(Nc1ccccc1N1CCCC1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 89814110 UKZVOTRNHCDCBO-LJQANCHMSA-N 404.297 4.725 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccc(Cn2ccnc2)cc1 90593177 WGSZCDSMIIPIRO-UHFFFAOYSA-N 422.941 4.947 0 40 HJAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@@H](c2cccc(Br)c2)S1 95479823 QPAIFVIGIAUBOF-OAHLLOKOSA-N 408.321 4.589 0 40 HJAB CCc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1 98212659 SEDJCWMMVNZIHK-UHFFFAOYSA-N 408.933 4.691 0 40 HJAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4csc(C)c4C)CC3)o2)cn1 100155889 RTCINVPQLAYCRQ-CALCHBBNSA-N 410.543 4.822 0 40 HJAB CCSc1ccc(C(=O)/N=c2/sc3c(C)cc(C)cc3n2CCOC)cc1 101072734 ACKYHCWOWKVDQR-QURGRASLSA-N 400.569 4.819 0 40 HJAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OC(F)F 106689446 KOAVTSUMAIAUPT-SXGWCWSVSA-N 409.385 4.672 0 40 HJAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@H]1CCCN1c1nc2ccccc2o1 206773025 OKMJPILHSWDURY-KRWDZBQOSA-N 417.431 4.564 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 222594992 JELOIMIQTDFEON-OAQYLSRUSA-N 400.950 4.523 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1OC 222955785 GZVBATAPPHAQDA-VXKWHMMOSA-N 406.555 4.654 0 40 HJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 222956658 IJXBQXCEZYLGQI-INIZCTEOSA-N 401.528 4.826 0 40 HJAB Cc1ccc(CN2CCC(C(=O)NCCOc3ccc4ccccc4c3)CC2)cc1 223625434 ZQKQZIJNYNDRAO-UHFFFAOYSA-N 402.538 4.555 0 40 HJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 223746580 CAPNJUQZQCGTGL-ROUUACIJSA-N 401.944 4.982 0 40 HJAB CC(C)c1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 224081699 BLQMNFSMKMXXKN-UHFFFAOYSA-N 422.550 4.883 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)cc1 224124041 WDUOXUZSMUKEEI-LJQANCHMSA-N 422.550 4.620 0 40 HJAB CC(C)(C)c1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 224180258 OWYXUUWCSGHQLK-UHFFFAOYSA-N 416.370 4.789 0 40 HJAB Cc1ccc(C)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)c1 224188699 HQSUAEDIFSFJEF-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB Cc1ccc(CN(C(=O)CCCOc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224195182 XBUUFJULLLFBIE-JOCHJYFZSA-N 424.585 4.652 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 224906740 DINQFGPYXJPNSX-INIZCTEOSA-N 421.368 4.788 0 40 HJAB COc1cccc(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)c1OC 225050256 NMBUUONWRHDYRK-UHFFFAOYSA-N 421.931 4.753 0 40 HJAB Cc1ncsc1C(=O)N1CCC2(CC1)CO[C@@H]1c3ccccc3OC(C)(C)[C@H]1C2 257283222 OXGVYSKXBQNDBW-PKOBYXMFSA-N 412.555 4.623 0 40 HJAB Cc1ccccc1CSCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 301819340 SGVZWHDIAFFMTK-UHFFFAOYSA-N 408.489 4.596 0 40 HJAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl 408988627 IPHHYBQCGAUAME-GOSISDBHSA-N 420.296 4.771 0 40 HJAB O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1CCc1ccccc1 409212937 NLAUZWIJULEIBG-LFIBNONCSA-N 406.276 4.867 0 40 HJAB CCN(C(=O)c1ccc2c(c1)NC(=O)CCN2C)[C@@H](C)c1cccc(C(F)(F)F)c1 531300179 NPNCIIUYBVTGQO-AWEZNQCLSA-N 419.447 4.707 0 40 HJAB O=C(CCCCCn1cccc1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 604418612 ITAHLRJYFHVVLX-UHFFFAOYSA-N 408.464 4.578 0 40 HJAB CCCn1c(SCc2nc(-c3cccc(OCC)c3)no2)nc2ccccc2c1=O 669560113 PSSXRJKKGUGXDU-UHFFFAOYSA-N 422.510 4.548 0 40 HJAB O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(Br)cc1 1445526 GTIFBJBLXVSRDO-HXUWFJFHSA-N 423.266 4.949 0 40 HJAB COc1ccc(OC)c(N2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)c1 2295347 JJXLVWFFFZIXJN-UHFFFAOYSA-N 416.477 4.648 0 40 HJAB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(C)C)cc1 2402857 OGRQZCFABZSUAB-HSZRJFAPSA-N 418.537 4.803 0 40 HJAB CCCCCOC(=O)c1c(N)n(-c2ccccc2OC)c2nc3ccccc3nc12 2414390 HBZIOKRHDKCLJT-UHFFFAOYSA-N 404.470 4.512 0 40 HJAB Cn1c(CSc2ccc(Cl)cc2)c(Br)c(=O)n1-c1ccccc1 2543389 XBTTWLQPLGQKLR-UHFFFAOYSA-N 409.736 4.884 0 40 HJAB O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc(Cl)cc3)ccc(=O)n1C2 4237393 SGRJMLQFQFSIMR-FUHWJXTLSA-N 419.912 4.820 0 40 HJAB biogenic,in-vitro CC(C)c1ccc(OCC(=O)NC2C3CC4CC(C3)CC2C4)c(Br)c1 4784939 USTSMHKAEWYLEC-UHFFFAOYSA-N 406.364 4.892 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)Cc1ccc(Br)cc1 5018369 GNKPYOJGVNRVQX-ZTFGCOKTSA-N 411.336 4.539 0 40 HJAB Cc1cc(NC(=O)CSc2nc(C)c(C)n2C2CCCC2)n(-c2ccccc2)n1 5090306 CQOFOORBQYJQFC-UHFFFAOYSA-N 409.559 4.840 0 40 HJAB CCCCn1c(N)c(C(=O)N[C@@H](C)CCc2ccccc2)c2nc3ccccc3nc21 5186685 XCLZQXSVBXDVQE-KRWDZBQOSA-N 415.541 4.718 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2nc3ccc(C)cc3nc2NCc2ccccc2)cc1 5392719 VASVGQQMFVPAPI-UHFFFAOYSA-N 418.522 4.660 0 40 HJAB CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2c(F)cccc2Cl)NC(=S)N1 6046816 GNPGHBRKPYVROK-INIZCTEOSA-N 410.301 4.564 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc2c1CCCC2 6047396 KCPBKDCLSWCTCU-GFCCVEGCSA-N 407.919 4.863 0 40 HJAB CCCCCN(CCCCC)C[C@@H](C)NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 6264152 ITJXMCCGGULMMX-GOSISDBHSA-N 423.001 4.979 0 40 HJAB CCN(CC)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc1 6740919 LHHQYOVBSBJRQI-NRFANRHFSA-N 421.566 4.574 0 40 HJAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)CSC(c1ccccc1)c1ccccc1 6840224 KPZDMPUSZZFVJG-NQIIRXRSSA-N 411.567 4.747 0 40 HJAB Nc1c(Cl)cc2oc(-c3ccc(I)cc3)nc2c1Cl 6926598 XSKMNBJAIGNCMC-UHFFFAOYSA-N 405.022 4.988 0 40 HJAB COc1cccc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1OC 7181108 NVNVECJCTMSONV-HSZRJFAPSA-N 415.445 4.966 0 40 HJAB Cc1cc(C(=O)OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c(C)n1Cc1ccco1 7550235 SFYKHAIFCJHELV-INIZCTEOSA-N 420.465 4.527 0 40 HJAB Cc1cc(CSc2ccccc2C(=O)Nc2ccc(N3CCCC3=O)cc2)no1 8429835 IXTYXYUZLNFOSD-UHFFFAOYSA-N 407.495 4.654 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2C)o1 8571634 PCCUEIVDSRLBAE-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB Cc1nc(NC(=O)Nc2ccccc2)sc1C(=O)NCc1ccc(Cl)cc1 8770570 NTYLBTQIVPULHM-UHFFFAOYSA-N 400.891 4.679 0 40 HJAB Cc1cc(C)cc(OCC(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c1 8902804 LECBQIIMNGVZIM-UHFFFAOYSA-N 421.478 4.776 0 40 HJAB Cc1nnc(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)n1-c1ccccc1 9643568 XGFMEAUPVCJKJR-UHFFFAOYSA-N 421.570 4.687 0 40 HJAB Cc1ccc2sc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)nc2c1C 10381618 BLTYRWOFZORRFD-UHFFFAOYSA-N 408.502 4.986 0 40 HJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NCCOc2ccc3ccccc3c2)c1 10996746 QTMFOETWFUWUQG-UHFFFAOYSA-N 406.482 4.996 0 40 HJAB Cc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N1CCC(C)CC1 12062270 VWXCYZILVOGBON-UHFFFAOYSA-N 423.582 4.774 0 40 HJAB COc1cccc(Nc2nn(CN3CCC[C@@H](C(F)(F)F)C3)c(=S)s2)c1 12552150 BSOFIQPENRBNNI-LLVKDONJSA-N 404.483 4.658 0 40 HJAB O=C(CSc1nnc(NC2CC2)s1)N(Cc1ccc(F)cc1)C1CCCCC1 12567461 KWVBSEKHUVBXSF-UHFFFAOYSA-N 420.579 4.705 0 40 HJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CNC(=O)c1ccc(Cl)cc1Cl 12797441 VOOYFMDVNWRGCE-LLVKDONJSA-N 422.337 4.553 0 40 HJAB CC(=O)c1sc(NC(=O)Cc2c(C)c3c(cc(C)c4c(C)coc43)oc2=O)nc1C 13549322 ZXFXSEDRTOZXTE-UHFFFAOYSA-N 424.478 4.613 0 40 HJAB O=C(C1CC1)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 19294039 HKMVZGHFWOBFQP-NRFANRHFSA-N 417.488 4.885 0 40 HJAB COc1cc2c(cc1CN[C@@H](Cc1ccsc1)c1nc(C)c(C)s1)OCO2 19559858 QHIPJNQBTOLLHI-INIZCTEOSA-N 402.541 4.632 0 40 HJAB Cc1scc(C(=O)N2CCC[C@@H]2c2nnc(-c3nccc4ccccc34)o2)c1C 19561871 HBJSALZPOXXSKU-GOSISDBHSA-N 404.495 4.940 0 40 HJAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccccc2)C1 19579549 ROXPAVJLOUPJTE-HHHXNRCGSA-N 413.565 4.662 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](c3cc4c(C)c(OC)ccc4cn3)C2)c(OC)c1 19582664 FIXTVXKVHPIXBR-GOSISDBHSA-N 420.509 4.589 0 40 HJAB CC(C)n1c(CN2CCC[C@@H](c3ccc(-c4cncnc4)cn3)C2)nc2ccccc21 19688682 UYWHNPUHUDSAON-HXUWFJFHSA-N 412.541 4.849 0 40 HJAB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1[C@H]1CC=CCC1 19818220 FCLOAWQVNAAUKG-DZFGPLHGSA-N 409.530 4.506 0 40 HJAB O=C(N[C@H](c1ccccc1)c1cccs1)c1ccccc1I 20018851 FOBHSWJTBQXLKL-QGZVFWFLSA-N 419.287 4.872 0 40 HJAB Cc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1-c1ccc(CO)o1 20151850 BOFSXOLAZMXURN-UHFFFAOYSA-N 400.887 4.528 0 40 HJAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 23663243 CPNITCXYCUPMDK-XLIONFOSSA-N 419.550 4.941 0 40 HJAB CCCn1c(SCC(=O)N(C)Cc2ccco2)nc2ccc(C(F)(F)F)cc21 24759834 UGKHPFIGDBMMCP-UHFFFAOYSA-N 411.449 4.809 0 40 HJAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)Cc2ccccc2Cl)cc1 25047628 YIPRFEULNMPXHA-UHFFFAOYSA-N 422.912 4.502 0 40 HJAB Nc1c(C(=O)Nc2ccccc2F)c2ccccc2n1C(=O)c1ccc(Cl)cc1 28535025 BQNHVVJJKKOOBA-UHFFFAOYSA-N 407.832 4.957 0 40 HJAB COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(Cl)c2c(c1)OCO2 30476704 QAAMUMAZSBDFNQ-UHFFFAOYSA-N 415.898 4.981 0 40 HJAB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)n2ncc(-c3ccc(F)cc3)c2N1 32093833 IOTLPJJQOZWLPT-MRXNPFEDSA-N 419.243 4.518 0 40 HJAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@H]1CCCN1C(=O)c1ccccc1 32760266 JNKPPDAPXYHTFJ-OAQYLSRUSA-N 411.461 4.738 0 40 HJAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(F)c(N2CCCC2=O)c1 40094634 QQJNEXROBWONCF-UHFFFAOYSA-N 401.488 4.698 0 40 HJAB Cc1ccc(C(=O)Nc2c(C)c(Br)c(N)c(Br)c2C)cc1 45890906 KJXFXQOOKCBBHL-UHFFFAOYSA-N 412.125 4.971 0 40 HJAB CCCCNC(=O)c1nnn(-c2cc(C(F)(F)F)ccc2Cl)c1-c1cccnc1 49003683 XFLQTXABZDUKSK-UHFFFAOYSA-N 423.826 4.531 0 40 HJAB C[C@@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(F)c(F)c1 57383176 MSKOMQQVQAQTSZ-CQSZACIVSA-N 402.441 4.686 0 40 HJAB CC(C)NC(=O)Nc1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)cc1 57994083 YYXKABNRDSKVPA-UHFFFAOYSA-N 415.493 4.771 0 40 HJAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1C 67292752 TUIIKLXIEWVNNU-HGFVNXKRSA-N 410.901 4.844 0 40 HJAB CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N2C(=O)c4ccccc4[C@@H]23)cc1 69382873 XKZOVAXPPCEWKQ-VWLOTQADSA-N 420.472 4.616 0 40 HJAB O=C(c1ccccc1)N1CCCCC[C@@H]1C1CCN(c2ncnc3ccccc23)CC1 69979229 TZXODBGXMAJJPG-XMMPIXPASA-N 414.553 4.931 0 40 HJAB COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1 89638831 PFLFTFOCWZOKGC-XMMPIXPASA-N 420.534 4.852 0 40 HJAB O=C(CSc1ccc2ccccc2c1)NC[C@@H]1CCN(CCc2ccccc2)C1 89832352 YZXWFSSCLOITOH-NRFANRHFSA-N 404.579 4.613 0 40 HJAB CN(CCc1cnccn1)Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 96003651 TZVLRMCKACJFLB-UHFFFAOYSA-N 403.917 4.657 0 40 HJAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3Cl)C2=O)cc1 102733839 CNTPOBMIWIPEHC-FDFHNCONSA-N 418.880 4.700 0 40 HJAB Cc1ccccc1CSCCNC(=O)CCCN1C(=O)c2cccc3cccc1c23 219459194 VGJSPUMQECFBJY-UHFFFAOYSA-N 418.562 4.938 0 40 HJAB CCSc1ccccc1NC(=O)[C@@H](CC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220582429 PRKOEWPUDJOUJG-LJQANCHMSA-N 420.600 4.599 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 223015936 NKKMSRPYQGHURP-FQEVSTJZSA-N 400.906 4.681 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1ccc(Cl)cc1 224247387 WXQMTIJVGHBZTQ-MOSHPQCFSA-N 410.926 4.797 0 40 HJAB Cc1ccccc1NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl 224329330 VSCWDTGLPHNPPY-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 224483465 GIQJMTLAPVINFO-QZTJIDSGSA-N 414.328 4.923 0 40 HJAB CC(C)[C@@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 225206530 HLHCXDARBWAKLE-QRQCRPRQSA-N 416.974 4.889 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 225292749 UOWUYJMMBSMQJK-QFIPXVFZSA-N 419.525 4.589 0 40 HJAB Cc1ccc(NC(=S)NCCCSC2CCCCC2)cc1N1CCCC1=O 225591864 SPSYVUKWNFXNNJ-UHFFFAOYSA-N 405.633 4.864 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)cc1 225690482 QFXSQITZKKBCOF-LJQANCHMSA-N 412.549 4.510 0 40 HJAB C[C@H](CCc1ccccc1)NC(=O)c1snnc1-c1ccc(Br)cc1 225786230 OGZIARFBJPBUCD-CYBMUJFWSA-N 416.344 4.719 0 40 HJAB CCOC(=O)/C=C/c1cc(Br)c(OCc2ccccc2C)c(OC)c1 226335306 PJLWCPMWLNAVSP-MDZDMXLPSA-N 405.288 4.921 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2ccccc2CC)cc1NC(=O)c1ccccc1 408557527 NHZPJMXCTQGWQH-UHFFFAOYSA-N 424.522 4.701 0 40 HJAB CC[C@H](OC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)C(=O)c1ccccc1 408648262 JWCQUXZVHPMCGS-YOEHRIQHSA-N 420.292 4.551 0 40 HJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 408705533 ICGYRMRTVWCWKY-OGECGYFKSA-N 406.570 4.609 0 40 HJAB O=C(Cc1ccc2ccccc2c1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 507997494 FSEHWNFJUNCESN-OAQYLSRUSA-N 415.468 4.978 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 1221531465 SDJSYOYQLWWZSJ-SOAMZJECSA-N 407.549 4.799 0 40 HJAB CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3c(C)cc(C)cc3C)cc12 645646 OWYPAYVFCQDKPA-UHFFFAOYSA-N 413.495 4.611 0 40 HJAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)N3c4ccccc4C[C@H]3C)n12 903003 RZJMKXNMIANSRH-QGZVFWFLSA-N 416.550 4.878 0 40 HJAB c1ccc(N(c2ccccc2)c2nc(N3CCCCCC3)nc(-n3ccnc3)n2)cc1 1080487 RHPYWZACEMTDJT-UHFFFAOYSA-N 411.513 4.908 0 40 HJAB Cc1cccc2cc(CN(C(=S)NCc3ccco3)C3CCCCC3)c(=O)[nH]c12 1224310 GUKIBNWCCPPSSJ-UHFFFAOYSA-N 409.555 4.639 0 40 HJAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(C)cc2C)cc1 2206149 GQOPLWXDUFKEHV-UHFFFAOYSA-N 400.478 4.768 0 40 HJAB aggregator CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(N5CCCC5)ncnc4c23)CO1 2296224 LJETUCBLFSZCOY-UHFFFAOYSA-N 406.511 4.951 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1nccn1-c1ccc(Cl)cc1 2723705 BMIBDGWMQAQBLX-UHFFFAOYSA-N 408.310 4.919 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)OC(=O)c4cccnc4)cc3)sc2c1 3303983 DLBKKCXGVMGFJR-OAHLLOKOSA-N 417.490 4.851 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1c(Cl)cccc1Cl 3309366 NHKNQVOZWNPPLR-UHFFFAOYSA-N 402.661 4.759 0 40 HJAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc2sc3ccccc3n12 3495586 JUXAOCOSVYLZOG-UHFFFAOYSA-N 410.568 4.863 0 40 HJAB CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccc(F)cc3)N2C1=O 3636830 KWUNAFNQJOCBHJ-QUCCMNQESA-N 424.497 4.608 0 40 HJAB Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(=O)NC(C)(C)C 4181693 IFJJFBJJYRGHKI-UHFFFAOYSA-N 410.827 4.905 0 40 HJAB CN(C)CCCN(C(=O)c1nc2ccccc2s1)c1nc2ccc(F)cc2s1 4359594 UKIUVFHMZJXSDD-UHFFFAOYSA-N 414.531 4.644 0 40 HJAB Cc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccc(F)cc3)c2=O)cc1C 4877826 NISSDFFRCSKBNB-UHFFFAOYSA-N 408.498 4.635 0 40 HJAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c1 5197697 JOMJNAJCRQKVTQ-FQEVSTJZSA-N 411.505 4.808 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)CCCc2ccccc2)c1 5259088 ZLGKRAPPAUFTQX-UHFFFAOYSA-N 415.468 4.795 0 40 HJAB CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1cccc(OC)c1 5478022 RQORTODGAMTGPD-UHFFFAOYSA-N 410.543 4.828 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)CCC4)c2)cc1 6236296 GLZAKZQWGQSBRY-UHFFFAOYSA-N 420.534 4.561 0 40 HJAB CCOc1cc(/C=C2/Sc3ccccc3C2=O)cc(Cl)c1OCC(=O)OC 6354889 MBHBGQAUGRBMCN-LICLKQGHSA-N 404.871 4.620 0 40 HJAB Cc1cc(I)cc(C)c1NC(=O)Cn1ccc2ccccc21 6571500 GCYMWQDMSBGMAS-UHFFFAOYSA-N 404.251 4.501 0 40 HJAB CCOc1ccc(OCCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 6859517 KAFDXTVLVBOIJG-UHFFFAOYSA-N 412.511 4.933 0 40 HJAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1sccc1C 8078421 VMDBPJHFMMUWEB-KKBVUKDESA-N 404.333 4.925 0 40 HJAB CCOc1ccc(/C=C2\C(=O)N(c3ccc(CC)cc3)C(C)=C2C(=O)OC)cc1OC 8085573 NGCXTRFKLARFCJ-ZHZULCJRSA-N 421.493 4.534 0 40 HJAB CC[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc(C)cc1 8133272 WMPGMZRQNDBHQJ-SFHVURJKSA-N 406.511 4.886 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 8879144 CVEWXPYKAOEYGA-PZJWPPBQSA-N 410.539 4.642 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCCCCC2)cc1 11905321 NOCJIMCCAUGSPW-HSZRJFAPSA-N 419.525 4.697 0 40 HJAB Cc1cc(C)c(NC(=O)COC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c(C)c1 12261797 WRGQQFAJIKWQLC-UHFFFAOYSA-N 410.445 4.520 0 40 HJAB CC(C)OCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 12787641 KUGFOQDPRAOCLN-UHFFFAOYSA-N 414.596 4.707 0 40 HJAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 12887609 RIBCMMSGQSEOTM-UHFFFAOYSA-N 407.558 4.887 0 40 HJAB O=C(OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1)c1ccco1 13095459 QWBXSLAKCKAUHO-HSZRJFAPSA-N 424.456 4.968 0 40 HJAB O=C(Nc1cccc2ccccc12)c1ccc(NS(=O)(=O)c2cccs2)cc1 13680303 YKNDZBFEHXZYRJ-UHFFFAOYSA-N 408.504 4.954 0 40 HJAB COc1ccccc1CCN1COc2ccc3c(=O)c(-c4ccccc4)coc3c2C1 13693549 XDXYEMDAGDPDHD-UHFFFAOYSA-N 413.473 4.863 0 40 HJAB biogenic Cc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)O)cc2c1 13809730 XGVUBLMIZBPBLT-FQEVSTJZSA-N 421.884 4.739 0 40 HJAB CCc1cccc2sc(N3CCN(C(=O)Cc4ccc5ccccc5c4)CC3)nc12 13973123 AHIXTGUERNHRTF-UHFFFAOYSA-N 415.562 4.903 0 40 HJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 13999699 DUSDHQYDRQDPEX-MOPGFXCFSA-N 402.494 4.892 0 40 HJAB CSc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1 14282683 SGOZXFVOEGZHSR-UHFFFAOYSA-N 416.550 4.938 0 40 HJAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)C1 14361326 SKGHWSLIELOKTR-HDICACEKSA-N 424.566 4.727 0 40 HJAB O=C(Nc1cccc(Cl)c1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 15882829 DSNVFILOEBWJKY-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccccc1OC 15953512 MSNAJPITWAXSRH-GRYUFTJMSA-N 409.526 4.602 0 40 HJAB biogenic O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccco1 16524525 VRKWTNPPMZKWOC-OAQYLSRUSA-N 416.260 4.594 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 17082005 RETYKZYKRUOFJJ-UHFFFAOYSA-N 400.507 4.974 0 40 HJAB NC(=O)c1c(NC(=O)c2cccc(OCc3ccccc3)c2)sc2c1CCCCC2 17092290 DPYNLKDJMLCWJD-UHFFFAOYSA-N 420.534 4.947 0 40 HJAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1SC(=S)N1CCOCC1 18181006 LNTXOXYPBIGGHW-UHFFFAOYSA-N 416.955 4.558 0 40 HJAB COc1ccccc1/C=C/CN1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 19081771 MFADXOOQCKMLBA-CKLISVJZSA-N 421.585 4.719 0 40 HJAB CC(C)C(=O)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19085527 QPORHXIYHUEERZ-IBGZPJMESA-N 401.514 4.644 0 40 HJAB CC(C)c1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4ccccn4)CC3)noc2n1 19452143 SVQOKZAKGDKPFZ-UHFFFAOYSA-N 418.419 4.780 0 40 HJAB C[C@@H]1CCc2onc(C(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3Cl)c2C1 19497149 GZPLVRMGVWWROI-AUUYWEPGSA-N 424.932 4.505 0 40 HJAB Cc1nn([C@H](C)CC(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)c(C)c1Cl 19577506 QSIMQAHXTSTQSJ-PBHICJAKSA-N 407.917 4.561 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cnn(Cc2cccc(F)c2)c1 19718276 KOAKXGNAEFYBFR-UHFFFAOYSA-N 410.836 4.940 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)c3cnc(-c4ccccc4)[nH]c3=O)ccc21 19937318 TVMYPBZRKIXZSM-UHFFFAOYSA-N 408.461 4.817 0 40 HJAB Cc1ccccc1[C@@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1 20110334 ROHNJQMFKJXBIB-NRFANRHFSA-N 403.906 4.997 0 40 HJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 20492251 ODQDIVBRWNLJFJ-INIZCTEOSA-N 401.528 4.826 0 40 HJAB Cc1cc(C(=O)Nc2ccccc2Oc2ccccc2)cc(S(=O)(=O)N(C)C)c1C 22398860 VJUSFFORQRGJKP-UHFFFAOYSA-N 424.522 4.598 0 40 HJAB CCOC(=O)[C@@H]1CCCN(Cn2c(=S)n(-c3ccc(C)cc3)c3ccccc32)C1 25460177 OTXPMFYYIRSBBR-GOSISDBHSA-N 409.555 4.703 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)NC[C@H](c2cccs2)N2CCCCC2)c1 27580643 PTGTYAMUAPGYCZ-HXUWFJFHSA-N 400.588 4.902 0 40 HJAB COC(=O)C1=C(C)Nc2nc(=S)[nH]c(O)c2[C@H]1c1cccc(Oc2ccccc2)c1 28465922 PLZMFYDJWTWAOA-KRWDZBQOSA-N 421.478 4.641 0 40 HJAB COc1ccc(-c2nn(C)c3c2[C@H](c2ccccc2)N(CCc2ccccc2)C3=O)cc1 32593632 DYSKSKKVLBWXAM-VWLOTQADSA-N 423.516 4.884 0 40 HJAB CC(C)[C@H](NC(=O)C1CCN(C(=O)c2ccncc2)CC1)c1ccc(C(C)(C)C)cc1 32613185 IONLFMMYIFPWLN-QHCPKHFHSA-N 421.585 4.745 0 40 HJAB COc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)c1 38501209 VUEMOWQDFFOWNM-UHFFFAOYSA-N 417.440 4.851 0 40 HJAB CN([C@H](c1ccccc1)c1ccccn1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 40135512 PGAVVDBVRYGKDM-LJQANCHMSA-N 406.429 4.511 0 40 HJAB CCOc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c1 41091657 BYLSSTIODDJHHJ-CQSZACIVSA-N 400.544 4.649 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2Cl)c1 44886643 WWHAZAHZVPBEHD-UHFFFAOYSA-N 420.962 4.854 0 40 HJAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44937205 XSQROISHEKNCPW-QPPBQGQZSA-N 412.549 4.950 0 40 HJAB Cc1[nH]c2ccccc2c1C1CCN(Cn2nc(-c3cccnc3)n(C)c2=S)CC1 58166522 UODJYVSSWBAXGL-UHFFFAOYSA-N 418.570 4.640 0 40 HJAB CCN1c2ccc(C(=O)Nc3ccccc3Cl)cc2-c2ccccc2S1(=O)=O 64762059 ZCKTXFXOMOCQJB-UHFFFAOYSA-N 412.898 4.788 0 40 HJAB CCc1cc2c(NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)ncnc2s1 69982169 VDZCUNLNRJETSY-UHFFFAOYSA-N 407.465 4.748 0 40 HJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2C(=O)COc2ccccc2)n1 72376925 OVEWMCXXVSECQG-HXUWFJFHSA-N 422.916 4.512 0 40 HJAB CCCc1ccc(-c2ccc(NC(=O)CCc3nc(-c4ncccn4)no3)cc2)cc1 84759000 DPEQAXSCHFVCDM-UHFFFAOYSA-N 413.481 4.717 0 40 HJAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Oc1ccccc1 89845851 MWQRVXXOXYDSDR-UHFFFAOYSA-N 421.928 4.893 0 40 HJAB Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)Cc3cccs3)CC2)c1 96183726 KJJZKPKZHRADRM-VWLOTQADSA-N 404.579 4.841 0 40 HJAB O=S(=O)(N[C@H](c1ccccc1)[C@H](O)c1ccccc1)c1ccc(Cl)cc1Cl 107864177 KEHIXNOYHZFQGC-WOJBJXKFSA-N 422.333 4.747 0 40 HJAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 223119146 IMPSELUPTLSPSX-DEOSSOPVSA-N 420.940 4.616 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 223336079 KUCRGFYMPZBTSC-UHFFFAOYSA-N 420.475 4.865 0 40 HJAB CC[C@H](C)NC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccccc3)ccc2s1 223393225 BTRYNLNKSPLEEO-HNNXBMFYSA-N 416.568 4.645 0 40 HJAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1 224130261 GWBMYCVJGJYCQD-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C 224144264 PAXXHVYUAQZTCI-HSZRJFAPSA-N 422.569 4.548 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 224240096 IOMPENMJDLAMDU-QHCPKHFHSA-N 410.533 4.543 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 224518729 DJJPWKRJDXHFBX-JOCHJYFZSA-N 412.599 4.748 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225011409 MQRIXFRMKRVFCY-HOTGVXAUSA-N 421.368 4.868 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 225223871 BAVIVJSHCLNHBA-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 225709157 VRHDAOGZLPYJED-UHFFFAOYSA-N 404.557 4.787 0 40 HJAB O=C(Nc1ccccc1)c1cnn2c([C@@H]3CCCN(CC4CCCCC4)C3)ccnc12 306136284 POQMKVGAWOKTSH-HXUWFJFHSA-N 417.557 4.741 0 40 HJAB CCc1ccc(N2C[C@H](C(=O)NCC(c3ccccc3)c3ccccc3)CC2=O)cc1 408708860 UXJSWCPKWNYBJP-HSZRJFAPSA-N 412.533 4.550 0 40 HJAB O=C(O)[C@@H]1CN[C@@H](c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)S1 408975291 AAMRBZSJEBKTOG-ZWKOTPCHSA-N 407.322 4.785 0 40 HJAB O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1cccc(Cl)c1Cl 409162857 IUHJQUWTVCCCRE-UHFFFAOYSA-N 410.282 4.730 0 40 HJAB COc1ccc(-c2nc(C)c([C@H](C)N=c3nc(C(F)(F)F)[nH]s3)s2)cc1 553107062 HOPDXRZPNFJWMU-VIFPVBQESA-N 400.451 4.592 0 40 HJAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)NCCC(C)C)ccc21 643577868 HQONFUYGUGCUGV-UHFFFAOYSA-N 415.622 4.990 0 40 HJAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCC4)c(Cl)c3N2)cc1 674731 JAVAKKPXOILVBX-UONOGXRCSA-N 412.843 4.741 0 40 HJAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 903505 SJNLOQFQGIIHTB-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB Nc1c(Br)cc(C(=O)OCc2ccc(Cl)cc2)cc1Br 986235 PCMLGCYRSHKSIU-UHFFFAOYSA-N 419.500 4.804 0 40 HJAB O=C(COC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(F)cc1 992847 QYONRTYGOAQQFF-UHFFFAOYSA-N 402.381 4.582 0 40 HJAB Cc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2cccc(C(F)(F)F)c2)s1 1330247 VZXCIWHMKYPNQB-UHFFFAOYSA-N 410.461 4.781 0 40 HJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C(=O)OC)cc1)CO3 2118659 ARRLKWJIJKTFIZ-UHFFFAOYSA-N 407.466 4.587 0 40 HJAB biogenic COc1ccc2cnnc(SCC(=O)Nc3ccc(Cl)cc3Cl)c2c1OC 2203169 RSYRYARNBHJTJW-UHFFFAOYSA-N 424.309 4.685 0 40 HJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H](C)SC2=N1 2256385 WVKQZNGKFUZXKK-ZUZCIYMTSA-N 413.326 4.594 0 40 HJAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1cc(Cl)ccc1OC 2963430 RKOKCHLFICXBAQ-VLIAUNLRSA-N 404.919 4.682 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 3256018 QFIAEVCXDKSVHV-KRWDZBQOSA-N 414.505 4.638 0 40 HJAB CCn1c(S[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)nnc1-c1cccs1 4516561 GJVRTXVGQLONOW-YOEHRIQHSA-N 412.584 4.701 0 40 HJAB CC1(C(=O)NCCOc2ccc(C3CCCCC3)cc2)COC(c2ccccc2)OC1 4649508 URIXOPKBDSSAFD-UHFFFAOYSA-N 423.553 4.981 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1 5099437 SJJTYHISPFMQTM-UHFFFAOYSA-N 406.507 4.667 0 40 HJAB COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)c1OC 5256124 KCDDCZGVQCNZLR-FQEVSTJZSA-N 411.889 4.796 0 40 HJAB O=C(O)CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F 5351285 JECASEIARZIQCF-HSZRJFAPSA-N 402.425 4.755 0 40 HJAB CCc1ccc(-c2csc3ncn(CC(=O)Nc4cc(C)ccc4C)c(=O)c23)cc1 5556607 UDIRBGGLASUFBO-UHFFFAOYSA-N 417.534 4.943 0 40 HJAB COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)c1 5688246 YBWIORUJQIYAKC-HSZRJFAPSA-N 413.521 4.804 0 40 HJAB COc1ccc(C(OC[C@@H](O)CN[C@H](C)c2ccccc2)c2ccc(OC)cc2)cc1 5951007 GIIGIGNNZPCHTH-XXBNENTESA-N 421.537 4.522 0 40 HJAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)COc2ccccc2F)c2ccccc21 5989333 SSFGMNHFEOCNSR-UHFFFAOYSA-N 417.436 4.789 0 40 HJAB COC(=O)c1c(C[C@H](Cc2ccc3c(c2)CCCC3)C(=O)O)ccc2c1CCCC2 6385132 FHZMLZLDKUHDSZ-QFIPXVFZSA-N 406.522 4.717 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 6507450 VYLLTFKVRVOWOY-OUKQBFOZSA-N 414.433 4.630 0 40 HJAB Cc1sc2ncnc(SCC(=O)N(C)Cc3c(F)cccc3Cl)c2c1C 6602158 ZHMFTRMVOJSDAC-UHFFFAOYSA-N 409.939 4.851 0 40 HJAB Cc1cc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c(C)cc1Br 7882194 YMSFUOUPPRUHSG-WBVHZDCISA-N 415.331 4.614 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)c(C)c1 7928047 KYZNWIOEPOFYKC-CYBMUJFWSA-N 410.823 4.967 0 40 HJAB CCc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 8846099 RLLFSCCJSYENPJ-HSZRJFAPSA-N 410.473 4.804 0 40 HJAB Cc1ccc(Nc2nc(CSc3nnc(NC[C@H]4CCCO4)s3)cs2)cc1 9512691 XDAWHFBAIJRLQU-OAHLLOKOSA-N 419.601 4.930 0 40 HJAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(-c2cn3ccsc3n2)cc1 9714130 RFOKECCKWMLARX-UHFFFAOYSA-N 423.519 4.565 0 40 HJAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)N1CC[C@@H](C)Sc2ccccc21 9717761 PBNXIXDOHDSFQI-OAHLLOKOSA-N 422.506 4.724 0 40 HJAB CSc1cccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(C)cc3)n2)c1 9784814 ZBUIVJKFSPDPTI-UHFFFAOYSA-N 412.540 4.999 0 40 HJAB Cc1ccc2nc(N(Cc3ccncc3)C(=O)c3ccc4c(c3)OCCO4)sc2c1 10254276 ZDQYZXISHVWSML-UHFFFAOYSA-N 417.490 4.618 0 40 HJAB COc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1ccc(Cl)cc1)=N2 12486121 DXXHJERPUVYTQW-UHFFFAOYSA-N 421.884 4.800 0 40 HJAB Cc1cc(C)cc(OCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c1 12547474 DGXVBPFUTKLQMH-UHFFFAOYSA-N 403.482 4.645 0 40 HJAB C[C@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1ccc(F)cc1F 12575634 LPZMTLVVHYQTCB-LBPRGKRZSA-N 415.440 4.900 0 40 HJAB COc1ccccc1[C@H]1[C@H](C(=O)Nc2ccncc2)CCC(=O)N1c1ccc(C)cc1 12775983 BBRCWTVFWKRRJT-QPPBQGQZSA-N 415.493 4.522 0 40 HJAB Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)c(Cl)c1 13147764 QUSCPLHVTBDWQW-UHFFFAOYSA-N 421.880 4.983 0 40 HJAB COc1ccc(-c2c(C)nn3c4c(nnc23)C(=O)C[C@@H](/C=C/c2ccccc2)C4)cc1 14607726 UOZGERDGDIFDIZ-BLGFXRMMSA-N 410.477 4.567 0 40 HJAB O=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Br)cc2)o1 16048044 VNWGUWCEHYGBFP-UHFFFAOYSA-N 424.707 4.883 0 40 HJAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 17011429 XZFSPCPLHFJLQT-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(F)cc4)cc3O)oc2c1 17092662 MVLURRZIMSQCOB-UHFFFAOYSA-N 421.453 4.775 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3cccc(OC)c3)nnc2c1-c1ccc(Cl)cc1 20672675 OKWVWRAXVZUDKO-UHFFFAOYSA-N 421.888 4.576 0 40 HJAB Cc1cc(C)c2nc(Nc3nc(C)c(Cc4cccc(Cl)c4)c(=O)[nH]3)nc(C)c2c1 20797984 ZSKCARBZSQTORJ-UHFFFAOYSA-N 419.916 4.935 0 40 HJAB CCn1nc(NC(=O)c2ccccc2Br)c2cc3ccc(C)cc3nc21 21595101 SLMIORVUZXENRU-UHFFFAOYSA-N 409.287 4.928 0 40 HJAB COc1ccc(C(N)=O)c(OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 25630434 ITDDGIZVKKOKMT-UHFFFAOYSA-N 408.401 4.515 0 40 HJAB CCCC[C@@H](CC)c1nnc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)s1 28227195 PBUPBCULLNTJAW-OAHLLOKOSA-N 401.536 4.929 0 40 HJAB O=C(CSCc1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 28581296 IAKQRGRNPDHJHW-GOSISDBHSA-N 403.931 4.708 0 40 HJAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccccc1SCc1cscn1 31156657 QSKLIOVQTKWKDN-UHFFFAOYSA-N 420.563 4.610 0 40 HJAB Cc1cc(C)c2c(n1)oc1c(=O)n(CC(=O)N(c3ccccc3)c3ccccc3)cnc12 32073377 UEKBXUAUVPXWIB-UHFFFAOYSA-N 424.460 4.519 0 40 HJAB CCn1c(CSc2nc3ccccc3s2)nnc1S[C@H](C)c1nc(C)no1 32905999 FGAVSDFBAXQWFN-SNVBAGLBSA-N 418.573 4.745 0 40 HJAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC[C@H](C(=O)Nc2ccccc2)C1 37197403 XIVFMTURHHYSQW-CABCVRRESA-N 420.340 4.671 0 40 HJAB COc1ccc(CCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 38848939 VZIYLVNAYJNTGN-UHFFFAOYSA-N 421.368 4.573 0 40 HJAB CN(c1ccccc1)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 40114554 JZKFIZCNZMZUKQ-SFHVURJKSA-N 403.482 4.538 0 40 HJAB CC(C)c1ccc(CN2CCN(C(=O)c3ccc(-n4cc[nH]c4=S)cc3)CC2)cc1 40143836 KGTXGXMPPUATLY-UHFFFAOYSA-N 420.582 4.616 0 40 HJAB Cc1nc2nc3ccn(C4CCCCCC4)c(=O)c3c(-c3cccc(Cl)c3)n2n1 40398343 NMCLWPFXPMYIJG-UHFFFAOYSA-N 407.905 4.963 0 40 HJAB Cc1cc(NC(=O)CSCc2coc(-c3ccccc3)n2)n(Cc2ccccc2)n1 44471157 XXJLTWUDRGCXFG-UHFFFAOYSA-N 418.522 4.767 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 44911876 XKYAXQHCTUNNBR-UHFFFAOYSA-N 414.933 4.676 0 40 HJAB CN(Cc1ccc(Br)o1)Cn1nc2c(Cl)cc(Cl)cn2c1=S 48340542 OJNMPSMDMZQVON-UHFFFAOYSA-N 422.135 4.617 0 40 HJAB CCOc1ccc(CN(C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)cc1OC 57406493 DAEPHEOPQQALQI-UHFFFAOYSA-N 401.890 4.794 0 40 HJAB O=S(=O)(Cc1csc(-c2cccs2)n1)Cc1ncc(-c2ccc(F)cc2)o1 58175684 YJGMHJCSVQENPZ-UHFFFAOYSA-N 420.512 4.781 0 40 HJAB O=C(Cc1c(F)cccc1Cl)Nc1cc(C(=O)N2CCCCC2)ccc1Cl 58333205 LRWUFKGTSKGAFB-UHFFFAOYSA-N 409.288 4.940 0 40 HJAB O=C(CCn1ccc2ccc(Br)cc21)Nc1ccc2c(c1)OCCCO2 72401420 CRQQBMLSAYKODV-UHFFFAOYSA-N 415.287 4.594 0 40 HJAB O[C@@H](COc1ccccc1)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 82086477 OMFYGCNSSNEOFN-GOSISDBHSA-N 408.885 4.709 0 40 HJAB Cc1cc(CNC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)no1 84117149 NDRLTJHRMPEXGH-UHFFFAOYSA-N 410.524 4.686 0 40 HJAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 95350585 OOJVYNZDMWIELO-GOSISDBHSA-N 423.557 4.700 0 40 HJAB Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F 95458909 LXGKBWUIUDEEBH-YLJYHZDGSA-N 407.480 4.831 0 40 HJAB O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)N1CCC[C@]2(CC=CCC2)C1 95959757 PKGFQODUMRFGKZ-WOJBJXKFSA-N 424.488 4.785 0 40 HJAB CC(C)c1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@H]2CCOC(C)(C)C2)cc1 96117051 NLNFFYWVWMJXFG-QFBILLFUSA-N 415.559 4.617 0 40 HJAB CC(C)C[C@@H]1[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2ON1c1ccccc1 102736353 VWOCTRMVELYDAU-DNVJHFABSA-N 400.478 4.564 0 40 HJAB O=C(O)[C@H]1CCC2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)C1 110915247 VNWGFJKHQJGGTD-KRWDZBQOSA-N 405.494 4.902 0 40 HJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CCN(c2cccc(Cl)c2)CC1 216317450 OWFNJPBJHHXGMN-JOCHJYFZSA-N 408.929 4.999 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 222576375 UXSZOFVTKLRJTF-QGZVFWFLSA-N 400.950 4.559 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1C 222810405 RDVLIBFNOBDFFZ-SFHVURJKSA-N 414.977 4.831 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 223190897 YBAQVWFZTZSSAK-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 223405243 WIYSSPUGYUWQAX-XMMPIXPASA-N 420.940 4.789 0 40 HJAB CC(C)CSc1nnc(NC(=O)CSCc2ccc(Cl)cc2F)s1 223868535 YTGIEQBQFZHCCO-UHFFFAOYSA-N 405.973 4.951 0 40 HJAB CSc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c1 223937785 YPSFFMWEOZYDST-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)c1 224230704 ZIQKSRZINQKGRX-PMOQBDJRSA-N 418.566 4.548 0 40 HJAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 224395171 BLEHLTUTBJBXAM-VXKWHMMOSA-N 418.497 4.841 0 40 HJAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1ccc(F)cc1F 224886248 QCYNYIFYVMCNIN-UHFFFAOYSA-N 407.214 4.954 0 40 HJAB O=C(CCc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCCc1ccccc1 225303893 WKGKMPMXEYMKOL-UHFFFAOYSA-N 406.913 4.884 0 40 HJAB COC(=O)c1cc(Br)c(OC(=O)c2cccc3ccccc23)c(OC)c1 226364699 USDJOLOUDFOJNT-UHFFFAOYSA-N 415.239 4.617 0 40 HJAB O=C(c1ccccc1Cn1ccnc1)N1CCC[C@H](Cc2ccnc3ccccc23)CC1 257217758 DAMFHPUPVGLFOW-NRFANRHFSA-N 424.548 4.965 0 40 HJAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C(C)C)c(OCC)cc2C)C1=O 409014311 XBMPTDXRSNSUOW-XWAFYUISSA-N 405.516 4.505 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)c2ccccc12 409226903 XTVKTYPTMWFUHE-FYJGNVAPSA-N 403.459 4.768 0 40 HJAB CCOc1ccccc1Nc1nnc(SCCOc2ccc(OC)cc2)s1 2617159 LYAXQFRZVKFKOT-UHFFFAOYSA-N 403.529 4.860 0 40 HJAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1ccc2ccccc2c1 2643349 VHGWWVRNDIOXJS-OAHLLOKOSA-N 404.495 4.548 0 40 HJAB COC(CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)OC 2974750 HYIQTWSAMPFEKP-UHFFFAOYSA-N 408.889 4.772 0 40 HJAB O=C(Nc1ccccc1)c1cc(Cl)cn(Cc2ccc(C(F)(F)F)cc2)c1=O 3134499 OKEXPJRBXHKGNN-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(NC(=S)NCCc3ccccc3)cc2)cc1 3264123 VIAUNFJDSQXATR-UHFFFAOYSA-N 419.550 4.867 0 40 HJAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccccc1C 4122483 WRMPBVBMPWUALI-UHFFFAOYSA-N 402.479 4.633 0 40 HJAB Cc1cccc(OCc2nnc(SCCN3CCCC3)n2CCc2ccccc2)c1 4936924 HURWNQZKUOSVNW-UHFFFAOYSA-N 422.598 4.596 0 40 HJAB COc1cc2c(cc1NC(=S)NC(=O)c1ccc(Cl)nc1)oc1ccccc12 5033627 QGISMMKJIUCETH-UHFFFAOYSA-N 411.870 4.770 0 40 HJAB CCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3cc(C)ccc3C)=NN12 5093647 DAOJQYAHOBJYCA-QFIPXVFZSA-N 405.542 4.668 0 40 HJAB O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)NCCC1=CCCCC1 5156013 UXGVWZSKIWUPCK-UHFFFAOYSA-N 409.577 4.901 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1 5204101 WMMZTRJSLRKRBZ-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCCc1ccc(OCCNC(=O)[C@H](Cc2ccc(O)cc2)c2ccccc2)cc1 5794177 LMDAUOPQDFCWRD-RUZDIDTESA-N 403.522 4.866 0 40 HJAB O=C(Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 6406473 XKPQNZQJSSGXQR-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB COc1cccc(NC(=O)[C@H](Oc2ccc3c(C)cc(=O)oc3c2)c2ccccc2)c1 6421217 HQGKAQAYZOPAPF-XMMPIXPASA-N 415.445 4.869 0 40 HJAB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(Cl)c(Cl)c1 6422929 VNAODNRRBXHUJL-UHFFFAOYSA-N 408.310 4.692 0 40 HJAB Cc1cccc(Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3c2c2cc(C)ccc2n3C)c1 6900359 WQROBXYHKIKUQA-UHFFFAOYSA-N 423.516 4.618 0 40 HJAB CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 7062542 LKENFOIURGZWGI-MRXNPFEDSA-N 410.688 4.913 0 40 HJAB O=C(COC(=O)/C=C/c1nc2ccccc2s1)Nc1cccc(C(F)(F)F)c1 7432744 ZQACYPOKCZETCS-CMDGGOBGSA-N 406.385 4.510 0 40 HJAB Cc1ccc(NC(=O)Cc2nc(CN(Cc3ccccc3F)C3CC3)cs2)cc1 7858252 NBWYGLPPNWZTTH-UHFFFAOYSA-N 409.530 4.936 0 40 HJAB Cc1cccc(NC(=O)[C@@H](C)Sc2nc3sccc3c(=O)n2-c2ccccc2)c1 8719684 BUNIGDRKESHYQY-OAHLLOKOSA-N 421.547 4.875 0 40 HJAB CCCCCCn1c(SCc2nnc(C)o2)nc2sc3c(c2c1=O)CCC3 8753971 IIAJJOLWTNQAAV-UHFFFAOYSA-N 404.561 4.511 0 40 HJAB O=C(CCc1ccsc1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 8882678 XXMQQVPDGDEESL-UHFFFAOYSA-N 401.535 4.909 0 40 HJAB CCn1c(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)nnc1-c1ccccc1 9632368 MXLBVZOVYBBFSL-UHFFFAOYSA-N 422.341 4.706 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CCCCCCC3)c2C)cc1 10361507 OCVGRNCSLTWBDC-UHFFFAOYSA-N 414.571 4.947 0 40 HJAB O=C1NCCCC[C@@H]1Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 10990278 VRDGKOMKSFMEOV-KRWDZBQOSA-N 412.540 4.835 0 40 HJAB Cc1c(C)n(Cc2ccccc2)c2ncnc(OC3CCN(C(=O)C(C)(C)C)CC3)c12 12133545 GWZUEZRPTBEJIV-UHFFFAOYSA-N 420.557 4.512 0 40 HJAB COc1ccc(OC)c(NC(=O)c2ccc3nc(-n4c(C)ccc4C)sc3c2)c1 12408497 YQXMIOYDNQIQOD-UHFFFAOYSA-N 407.495 4.973 0 40 HJAB CC(=O)c1ccc(NCC(=O)N2N=C(c3ccc(C)o3)C[C@@H]2c2cccs2)cc1 12534020 NHHHEZDAIHDGSK-LJQANCHMSA-N 407.495 4.642 0 40 HJAB C[C@H](OC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2)C(=O)c1cccc(Cl)c1 12980042 AIIVOLOARVUSGT-YBJDMEARSA-N 421.276 4.983 0 40 HJAB Brc1cccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn23)c1 13728945 KHNOWRDEMPDJGK-UHFFFAOYSA-N 408.284 4.831 0 40 HJAB CCOP(=O)(OCC)c1nc(Cc2ccccc2)oc1NCc1ccc(F)cc1 16753249 OKBVPRRZFVADEA-UHFFFAOYSA-N 418.405 4.908 0 40 HJAB Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 17092616 CYDAICKFHKKNGA-UHFFFAOYSA-N 421.309 4.787 0 40 HJAB Cc1ccc(CN(C)C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 18084076 HZWHXWPQQQFJFX-UHFFFAOYSA-N 400.522 4.659 0 40 HJAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1 20451538 FJYXXPSIDLNBSC-UHFFFAOYSA-N 424.547 4.765 0 40 HJAB CCOc1ccc(-n2nc3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3n2)cc1 20610253 WSVIFBPSRCLFHR-UHFFFAOYSA-N 416.481 4.859 0 40 HJAB Cc1cc(NC(=O)c2ccc3ncsc3c2)n(-c2nc3c(F)cccc3s2)n1 21685423 GPBQVZHKSSCFDP-UHFFFAOYSA-N 409.471 4.792 0 40 HJAB COc1ccc(C(C)=O)cc1CSCCC(=O)Nc1cc(Cl)ccc1OC 24843771 VEVRFBJORHPPER-UHFFFAOYSA-N 407.919 4.822 0 40 HJAB O=C(COc1ccc2ccccc2c1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 24931720 WFXCYRIXKNUAEQ-XMMPIXPASA-N 411.505 4.657 0 40 HJAB CC(C)c1ccc(CC(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1 27985996 MGINPLAEBYNDFL-UHFFFAOYSA-N 411.552 4.818 0 40 HJAB Cc1ccc2oc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)cc(=O)c2c1 28288649 FNMBDAOGANIHBL-FQEVSTJZSA-N 424.928 4.712 0 40 HJAB CCc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)N2CCCC2)cc1 28293024 DAZZGWICEXMXOP-JOCHJYFZSA-N 418.537 4.539 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)CN(C)C(=O)c4ccco4)cc3)sc2c1 28490387 VPDAEITYNZGELW-UHFFFAOYSA-N 405.479 4.575 0 40 HJAB Cc1ccc(CSc2nnc(NC(=O)c3coc(Br)c3)s2)cc1 30605724 UMWDRTSNZRPTNB-UHFFFAOYSA-N 410.318 4.747 0 40 HJAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccc(Br)cc1Cl 32765653 LZYHRWHVZNWFHM-XCVCLJGOSA-N 419.706 4.647 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)Cc2csc(-c3ccccc3)n2)cc1OC 32895134 KSFOGOHOUCZKIO-IBGZPJMESA-N 408.523 4.734 0 40 HJAB Cc1ccc(NC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1C 33326021 MYICWKPRIDLERX-LJQANCHMSA-N 407.539 4.996 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 36006787 SIUWMTZFHLLPBX-UHFFFAOYSA-N 401.432 4.500 0 40 HJAB C[C@@H]1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c2ccccc2S1 36619861 GPXWOHQCGPVSSR-CQSZACIVSA-N 400.931 4.998 0 40 HJAB C[C@@H](CC(=O)Nc1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 40030632 SMUKXHXSGVFHLW-HNNXBMFYSA-N 400.525 4.681 0 40 HJAB COc1cccc([C@@H]2CCCN2Cc2cc(=O)oc3cc(Br)ccc23)c1 57541912 WNSLIMGFTPLIKP-IBGZPJMESA-N 414.299 4.901 0 40 HJAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(F)cc1F 58149440 SMQQMKVAECTEAP-UHFFFAOYSA-N 407.464 4.539 0 40 HJAB COc1ccc(C)cc1NC(=O)Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1 63509418 PUMUMFMQYGHBDE-UHFFFAOYSA-N 405.285 4.516 0 40 HJAB CN(c1ccsc1C(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 67245627 BBKZQVPBKRWELI-UHFFFAOYSA-N 424.906 4.618 0 40 HJAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)Cn3ccnc3C(C)C)C2)n1 72354201 QEDNORIJDFIUSB-QHCPKHFHSA-N 416.569 4.707 0 40 HJAB CC(=O)N1N=C(c2c(-c3ccccc3)c3ccc(C)cc3[nH]c2=O)C[C@H]1c1ccco1 79047014 ZIXPMRHWZKUYQA-NRFANRHFSA-N 411.461 4.794 0 40 HJAB CC(=O)Nc1cccc(C2=C[C@H](c3ccc(Cl)cc3Cl)n3ncnc3N2)c1 100834956 NAKBCRUSWPQIJU-GOSISDBHSA-N 400.269 4.599 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc(F)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 102759874 CGTHHUAWOJLGOO-HKBOAZHASA-N 422.843 4.530 0 40 HJAB Cc1cccc2c(C(=O)N[C@H](C)CCN3CCCCCC3)cc(-c3ccccn3)nc12 141551921 HHQMVRKQUVHWBE-HXUWFJFHSA-N 416.569 4.990 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc4ccccc4c3)n2)cc1 219034799 WOBFADMBDPCRJN-QGZVFWFLSA-N 401.466 4.624 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 222604524 SLVLPHIYVUAJOX-OAQYLSRUSA-N 400.950 4.523 0 40 HJAB COc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c(C)c1 222839175 OJKGJTORJLTEOQ-QHCPKHFHSA-N 409.551 4.997 0 40 HJAB CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222844837 XOEWQKUCSSZHSP-LJQANCHMSA-N 414.977 4.852 0 40 HJAB Cc1cccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1 224707403 ZYRXZPYRYPMWHO-OAQYLSRUSA-N 406.570 4.794 0 40 HJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 224821545 SUZLUWYENVIASE-IBGZPJMESA-N 410.533 4.625 0 40 HJAB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1ccc(Cl)cc1F 225065950 FNMLIDMVHQWFOQ-UHFFFAOYSA-N 424.657 4.564 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 225091576 WGURSFCJQYGMMJ-MSOLQXFVSA-N 400.950 4.523 0 40 HJAB CC1CCN(c2cc(Cl)nc(NC(=S)NCc3ccc(Cl)cc3)n2)CC1 225936016 JLEPMPTZEBOHBW-UHFFFAOYSA-N 410.374 4.506 0 40 HJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 408678144 GFAXCZHMQVNCKP-JOCHJYFZSA-N 424.522 4.592 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1 408689937 ZTMZXBJIDDEFHA-WSXQUGQNSA-N 408.885 4.602 0 40 HJAB Cc1ccccc1C1=N/C(=C/c2cccc(OC(=O)c3ccccc3F)c2)C(=O)O1 408955315 ONAXCXQMNTZXQY-KGENOOAVSA-N 401.393 4.698 0 40 HJAB Cc1ccsc1/C=C1/SC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O 409224592 MOOKIYDFOZWJRY-OVCLIPMQSA-N 422.325 4.738 0 40 HJAB O=C(N[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3o2)C1)c1ccc2ccccc2c1 531033419 DDCHLJHLKRVZRV-OAQYLSRUSA-N 416.452 4.760 0 40 HJAB O=C(NC[C@@H]1CCC[C@@H](CNC(=O)c2ccccc2Cl)C1)c1ccccc1Cl 831497 LXTIPAQPOSISLR-HZPDHXFCSA-N 419.352 4.960 0 40 HJAB COC(=O)c1c(NC(=O)c2ccccc2C)sc(C(=O)Nc2ccc(C)cc2)c1C 871575 UIPSGEHZDFTWNR-UHFFFAOYSA-N 422.506 4.965 0 40 HJAB COc1ccc(NC(=O)[C@H](C)n2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 937724 GINVYIJVRGFTQR-HNNXBMFYSA-N 419.506 4.642 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@H](c3nc(-c4ccc(C(C)C)cc4)no3)C2)c1 1360025 PFUUILUDFKEJFS-NRFANRHFSA-N 419.525 4.817 0 40 HJAB COc1cc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1OC 1425971 WSTVAVNTTJBEIG-UHFFFAOYSA-N 405.516 4.561 0 40 HJAB COc1cccc([C@@H](OC(=O)c2ccccc2)c2nncc3ccccc23)c1OC 2031884 HKTDBFBIEKRRPF-HSZRJFAPSA-N 400.434 4.593 0 40 HJAB COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2F)cc1 2419344 OTZALODYROGZHN-QFIPXVFZSA-N 415.420 4.686 0 40 HJAB CCCCSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583230 DWKYMIMIHMHMMY-OAQYLSRUSA-N 413.539 4.902 0 40 HJAB Cc1ccc(NC(=O)CSc2nccc(-c3ccc(OC(F)F)cc3)n2)cc1 2806661 RZQKVVSOVZJQRS-UHFFFAOYSA-N 401.438 4.784 0 40 HJAB COc1ccc(N(C(=O)c2ccccn2)C(C)(C)C(=O)Nc2c(C)cccc2C)cc1 3100821 VNMPSAVYYRNJKY-UHFFFAOYSA-N 417.509 4.771 0 40 HJAB CCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C)c1ccccc1 3286119 ANBQAYJGUWVNJH-UHFFFAOYSA-N 410.543 4.680 0 40 HJAB CCN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 3466044 LQLPKXGSNQJOED-UHFFFAOYSA-N 418.522 4.732 0 40 HJAB CC(C)C[C@@H](NC(=O)Oc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 3663249 CPKFMYVCQSZERM-GOSISDBHSA-N 409.511 4.952 0 40 HJAB CCN(C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]12)C[C@@](C)(O)c1ccccc1 4028574 JTMYRQKZNPTWKI-VCQLRLJDSA-N 411.586 4.674 0 40 HJAB biogenic COc1cc(OC)c(OC)cc1/C=C/c1nc2ccccc2c(=O)n1-c1ccccc1 4322266 HJUJMSGNHZHTMX-BUHFOSPRSA-N 414.461 4.582 0 40 HJAB CCCn1c(SCC(=O)Nc2ccccc2CC)nc2c(oc3ccccc32)c1=O 4852713 IIMFWPWUYCHVNR-UHFFFAOYSA-N 421.522 4.846 0 40 HJAB CCc1cc2oc(=O)cc(COC(=O)c3cccc(OC(F)F)c3)c2cc1Cl 5937280 OUWPTGANAOKKMF-UHFFFAOYSA-N 408.784 4.967 0 40 HJAB CCOc1ccc2nc(NC(=O)c3nc(SC(C)C)ncc3Cl)sc2c1 6748113 WNXKUAWTPVUVKG-UHFFFAOYSA-N 408.936 4.891 0 40 HJAB CSc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 7109648 JIWILCJLWBWIAF-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 7360512 JPMDDORMJFZQJM-UHFFFAOYSA-N 410.495 4.527 0 40 HJAB COc1ccccc1[C@@H](CNC(=O)C(c1ccccc1)c1ccccc1)N1CCCC1 7671233 WZGYRNRRINVQQF-XMMPIXPASA-N 414.549 4.780 0 40 HJAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 7881888 TYWUKLDFWVVIDQ-JTQLQIEISA-N 413.688 4.647 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)c(C)c1 7928048 KYZNWIOEPOFYKC-ZDUSSCGKSA-N 410.823 4.967 0 40 HJAB Cc1ccc(-c2csc3ncnc(Sc4nnc(CN5CCCC5)o4)c23)cc1 8201105 IEMAEQHFQPDUOW-UHFFFAOYSA-N 409.540 4.797 0 40 HJAB CCOc1cc2c3c(c1)[C@]1(SCC(=O)N1c1ccccc1)C(=O)N3C(C)(C)C=C2C 8559992 GQJYPEXCKBGKCF-DEOSSOPVSA-N 420.534 4.560 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 8754775 BJIVNTLNKXFBII-CMDGGOBGSA-N 412.917 4.548 0 40 HJAB O=C1c2ccccc2C(=O)N1CCc1csc(Nc2cccc(C(F)(F)F)c2)n1 8857440 KMVHFUCVDZWXOZ-UHFFFAOYSA-N 417.412 4.744 0 40 HJAB Cc1coc2cc3oc(=O)c(CCC(=O)N[C@H](C)CCc4ccco4)c(C)c3cc12 8879367 RFQQJABGFPEXDT-OAHLLOKOSA-N 407.466 4.819 0 40 HJAB biogenic O=C(NCCCNC(=O)c1cccs1)c1ccc(-c2cc(Cl)ccc2Cl)o1 9227317 VLWVAOATGGQXTH-UHFFFAOYSA-N 423.321 4.865 0 40 HJAB COc1ccc(-c2cc(O)c3nnc4c(-c5ccccc5)c(C)nn4c3c2)c(OC)c1 9287579 CNOYKYLHDQNAIO-UHFFFAOYSA-N 412.449 4.643 0 40 HJAB O=C(c1ccc(OCc2ccccc2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 9477641 JLZFIJOXZYLNAO-UHFFFAOYSA-N 420.553 4.520 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 10315255 JQMHYSDKESAWGD-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nc3ccccc3n2C(F)F)cc1 12535811 FIIJOSHTGHMFFU-LBPRGKRZSA-N 403.454 4.604 0 40 HJAB Cc1nc(COc2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)cc2)cs1 12824834 QIOIQWWRVFZDAZ-OAQYLSRUSA-N 418.522 4.884 0 40 HJAB O=S(=O)(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1Br 12914676 UQFPOPAJWGGNBX-INIZCTEOSA-N 400.725 4.532 0 40 HJAB Cc1ccc(Cl)c(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c1Cl 12932280 ABHFCXVYSFIATB-HNNXBMFYSA-N 420.340 4.591 0 40 HJAB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 13072526 KDPRAXRJYHMSFP-VIFPVBQESA-N 418.824 4.644 0 40 HJAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(I)cc1 13708944 JRMOOBSERZCCTC-CYBMUJFWSA-N 417.246 4.850 0 40 HJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 13999696 DUSDHQYDRQDPEX-RBUKOAKNSA-N 402.494 4.892 0 40 HJAB CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(OC)cc3)n2)cc1 14609679 RKNCHTXWXKFXHC-UHFFFAOYSA-N 414.465 4.594 0 40 HJAB CCc1cccc(CC)c1Nc1nnc(S[C@H](C)C(=O)NCC(F)(F)F)s1 14676426 NCVTXQJDQJJROO-SNVBAGLBSA-N 418.510 4.566 0 40 HJAB C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(F)c(F)c1 16912655 NMMYOCNMOSRGPE-MRXNPFEDSA-N 422.475 4.848 0 40 HJAB COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c1 17091288 XHMGSYLHHNXPIZ-UHFFFAOYSA-N 417.962 4.712 0 40 HJAB Cc1cccc(NC(=O)[C@H](C)OC(=O)c2c(NC(=O)C(C)(C)C)sc(C)c2C)c1 17133672 VZFDLRSPZUPFRK-AWEZNQCLSA-N 416.543 4.842 0 40 HJAB COc1ccc(CN2CCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c(F)c1 19116895 VKWWRXWMISLRJJ-KRWDZBQOSA-N 408.399 4.541 0 40 HJAB Cc1ccsc1C(=O)N1CCC(c2nc(NC(C)C)ncc2-c2ccncc2)CC1 19238544 GLSLYDUNEGEHMR-UHFFFAOYSA-N 421.570 4.749 0 40 HJAB O=C(NCc1csc(-c2ccccc2)n1)c1ccc(NC(=O)c2ccccc2)cc1 26796678 HXXFFHAYIWUZPR-UHFFFAOYSA-N 413.502 4.992 0 40 HJAB CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2cc3c(C)cc(C)cc3[nH]2)cc1 30226488 RQBYNTIJPGBGLC-UHFFFAOYSA-N 415.493 4.580 0 40 HJAB COc1cccc(Cn2nc(C)c(NC(=O)c3ccc(C(F)(F)F)cc3)c2C)c1 32609751 XJFQMONRMJSMMQ-UHFFFAOYSA-N 403.404 4.828 0 40 HJAB C[C@H](Sc1nnc(-c2ccc[nH]2)o1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 32747357 HTYQMTOLERURPU-NSHDSACASA-N 421.507 4.883 0 40 HJAB COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(F)cc3)n2)cc1 33012963 XJXQNDNLFKXGDR-UHFFFAOYSA-N 419.412 4.716 0 40 HJAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1=O 35316756 NJUXDUMRPKWYTE-IBGZPJMESA-N 418.468 4.705 0 40 HJAB CSc1cccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)c1 35598149 RDFGEXINPMQSEC-UHFFFAOYSA-N 417.498 4.772 0 40 HJAB Cc1ccc(NC(=O)c2sc3ncn(CCc4ccccc4)c(=O)c3c2C)cc1 35672044 CLVYNNLBACTDLF-UHFFFAOYSA-N 403.507 4.570 0 40 HJAB C[C@H]1CCCCN1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 58364293 VDURTIVYFDPAPW-AWEZNQCLSA-N 402.336 4.528 0 40 HJAB COc1ccc(-c2c[nH]c3c(SCC(=O)Nc4cc(F)ccc4C)ncnc23)cc1 71328152 RJXHSFIIFCSOKG-UHFFFAOYSA-N 422.485 4.812 0 40 HJAB C[C@H]1CCN(C(=O)CNc2cc3c(cc2Cl)OCCCO3)c2ccccc2S1 71795946 AUIJVWFSLYILGN-AWEZNQCLSA-N 418.946 4.831 0 40 HJAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)Nc1ccccc1C(F)(F)F 89662599 NHYAWKMYZAUJAK-CYBMUJFWSA-N 401.429 4.617 0 40 HJAB Cc1sc(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)nc1-c1ccc(Br)cc1 95447019 AIFWEESVMZWMJB-BONVTDFDSA-N 407.333 4.825 0 40 HJAB O=C(C[C@H]1CC2(CCN(C(=O)C3CCCCC3)CC2)Oc2ccccc21)NC1CCC1 96243170 GVFCXIVMGZDECA-FQEVSTJZSA-N 424.585 4.553 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1 136694092 WDLOJUGAKCVEFD-USCONSEESA-N 418.537 4.989 0 40 HJAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219350950 UOYVBJKKOKDOPV-QGZVFWFLSA-N 421.893 4.626 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)NC(C)C)cc1 222403182 SNYMHWLDBFSQQB-DEOSSOPVSA-N 408.586 4.822 0 40 HJAB C[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl)c1ccc(C(C)(C)C)cc1 222518650 HNOWPKIFWIMTCV-CQSZACIVSA-N 422.978 4.524 0 40 HJAB Cc1cc(C(=O)O)ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 222850547 GAWKFDYRGULRAY-RTWAWAEBSA-N 421.522 4.729 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2ccc(OC)cc2)c1 224266932 JKWIRABSURPEIQ-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1cccc(C)c1 224381544 XFOXESIFXHJFCM-UHFFFAOYSA-N 405.494 4.911 0 40 HJAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1cccc(OC)c1 224594646 ASQQXZIHOAHWGP-UHFFFAOYSA-N 409.457 4.742 0 40 HJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 224676472 NHZUEOBDGPNABP-SFHVURJKSA-N 412.961 4.749 0 40 HJAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)s2)c1 224827446 VYYORAIYDAFYOI-PMACEKPBSA-N 411.552 4.646 0 40 HJAB COc1ccc(/C=C(/C(=O)Nc2ccc3c(c2)sc(=O)n3C)c2ccccc2)cc1 225022235 VCKJRQIXETWWRE-XSFVSMFZSA-N 416.502 4.788 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 225486451 OHMMIGLPPSBTOM-XMSQKQJNSA-N 414.977 4.995 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 225613530 XZDYORCLYYRJJL-XMSQKQJNSA-N 414.977 4.913 0 40 HJAB COc1cc(C)c(C(=O)Nc2ccc(I)cc2)cc1C(C)C 225656016 INDFZIXJPPNXHO-UHFFFAOYSA-N 409.267 4.984 0 40 HJAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2cccnc12 225874622 XDZYKDYGOWZZCR-UHFFFAOYSA-N 408.473 4.848 0 40 HJAB Cc1cccc2nc(C(=O)N3CCC[C@@H]3c3ncc(Cc4ccc(Cl)cc4)o3)cn12 257333762 YCXYWRMFXWXWQV-HXUWFJFHSA-N 420.900 4.852 0 40 HJAB Cc1ccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2ccc(Br)cc2)cc1 408842983 PUHLYPPIFWHUKX-XSFVSMFZSA-N 418.294 4.987 0 40 HJAB CCOc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1Cl 409067617 GIYIDOBPMJMEMV-CXUHLZMHSA-N 409.244 4.624 0 40 HJAB CCOc1cc(/C=C2\Sc3ccccc3NC2=O)cc(Br)c1OC 409100633 QYTXWICMHPQOHD-YBEGLDIGSA-N 406.301 4.942 0 40 HJAB CCCOC(=O)c1cc(NC(=O)CSc2ccccc2NC(C)=O)ccc1Cl 409181583 DHQPNDGCZHTMFL-UHFFFAOYSA-N 420.918 4.596 0 40 HJAB O=C1N/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1ccccc1 409207346 SIYLKPRNMXSGBH-LDADJPATSA-N 423.266 4.802 0 40 HJAB O=C(COc1ccc(C(=S)N2CCCC2)cc1)Nc1ccc(Cl)cc1Cl 409242305 WSUPMRCBUKTBED-UHFFFAOYSA-N 409.338 4.782 0 40 HJAB CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(CCC(C)(C)C)C[C@H]21 514290139 SJLLHHAKWHCJJL-IRLDBZIGSA-N 414.496 4.585 0 40 HJAB biogenic,in-vitro CC(C)c1nc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)nn1-c1ccccc1Cl 522120957 ZCVBULMLDLXMBV-UHFFFAOYSA-N 423.908 4.622 0 40 HJAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)C1 585262657 PMUUMWVGFWZTPR-QZTJIDSGSA-N 414.575 4.501 0 40 HJAB Cc1cccnc1CN1CCC2(CC1)C[C@@H](Cc1cccc(F)c1)N(CC(C)C)C2=O 1615160447 ZLZXPKJPTLIUNW-HSZRJFAPSA-N 423.576 4.611 0 40 HJAB COc1ccc(-c2ccc(-c3noc(-c4cc(OC)cc(OC)c4)n3)c(OC)n2)cc1 812425 UTGXXVFUEJJDGW-UHFFFAOYSA-N 419.437 4.500 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2Br)o1 849495 MHGQCDLNUIIQON-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB Cc1c(Cl)c(Cl)nc(Cl)c1C(=O)NC(=O)NCc1ccccc1Cl 969303 WUMVUAQTLQLDKA-UHFFFAOYSA-N 407.084 4.643 0 40 HJAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 1246953 WDTMAFQMBUBRPT-FQEVSTJZSA-N 421.884 4.665 0 40 HJAB COc1ccc(C(=O)N2c3ccccc3N3C(c4c(C)cc(C)cc4C)=NON23)cc1 1510193 ACSHUXAGFYTBCQ-UHFFFAOYSA-N 414.465 4.526 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)Nc1ccccc1 2652478 SEDHQPURQZPNPU-UHFFFAOYSA-N 406.536 4.786 0 40 HJAB CCn1ncc(-c2ccnc(SCC(=O)Nc3c(Cl)cccc3Cl)n2)c1C 2809504 XZFROCKCYGNTNH-UHFFFAOYSA-N 422.341 4.706 0 40 HJAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c1C 3317985 KNNDETWWQGNLPU-KRWDZBQOSA-N 415.505 4.689 0 40 HJAB Cc1ccc(-c2nc(CCNS(=O)(=O)c3ccc4ccccc4c3)cs2)cc1 4570687 HBMOZZMTWLWCLG-UHFFFAOYSA-N 408.548 4.793 0 40 HJAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1 4966397 OUBXWMSOJXKLRS-IBGZPJMESA-N 403.478 4.773 0 40 HJAB Cc1ccc(-n2c(S[C@@H](C)C(=O)NC3CCCCC3)nc3ccccc3c2=O)cc1 4975390 QREOQOFHPYQJSC-KRWDZBQOSA-N 421.566 4.624 0 40 HJAB COc1ccc(C)cc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 5291420 PXTZTBYUBVDUJM-UHFFFAOYSA-N 418.493 4.616 0 40 HJAB COc1ccccc1NC(=O)c1cn2nc(C)c(-c3ccc(Cl)cc3)c2nc1C 5348628 BVELZQDYLWHVBW-UHFFFAOYSA-N 406.873 4.927 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)c3ccc(O)cc3O)n2-c2ccccc2)c1 5701473 FOQWKVMCOFTWKT-UHFFFAOYSA-N 417.490 4.629 0 40 HJAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(-c3ccccc3)cc2)cc1 5866905 TZHCEFUSMZAVKF-QHCPKHFHSA-N 413.477 4.629 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)ccc3C)ccc2C)c1 6024048 DRLOWJOVSMYYHO-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2ccccc2F)cc1 6402159 DBDRCLXGYBSULZ-UHFFFAOYSA-N 410.470 4.817 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc34)n2C(C)C)cc1 6541370 KBFVTIRXWXWYIC-UHFFFAOYSA-N 406.511 4.991 0 40 HJAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 6551800 CZSQPGAPKFWBIW-UHFFFAOYSA-N 411.841 4.936 0 40 HJAB O=C(NC[C@H]1COc2ccccc2O1)c1oc2ccccc2c1COc1ccccc1 6790668 WIYFUEDJEXKOSH-SFHVURJKSA-N 415.445 4.582 0 40 HJAB CN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 6949771 FEIPRXIVJSCWSJ-CAOOACKPSA-N 400.265 4.519 0 40 HJAB CNc1nnc(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)s1 7103499 NAFMTPOVKWSOQL-OAHLLOKOSA-N 414.581 4.552 0 40 HJAB COc1ccc([C@@H](CNC(=O)COc2ccc(C)cc2)c2c[nH]c3ccccc23)cc1 7889864 OOAUNMBNRPTQDR-HSZRJFAPSA-N 414.505 4.812 0 40 HJAB COc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(Cl)cc2)cc1 8476303 WKIBJYLFVBGKMX-UHFFFAOYSA-N 418.884 4.526 0 40 HJAB C[C@H](Oc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1-c1ccccc1 8718937 UXZKYPFGMQPKOL-SFHVURJKSA-N 400.478 4.886 0 40 HJAB C[C@H](C(=O)N(C)C)N1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 9226971 OWVKTZCMDYVZJS-NSYGIPOTSA-N 423.516 4.857 0 40 HJAB COc1cc(OC)c(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)cc1Cl 10186145 YQHQNGQDASPMIF-UHFFFAOYSA-N 424.328 4.661 0 40 HJAB O=C(Cn1cc(-c2nnc(-c3ccco3)o2)c2ccccc21)N1CCCc2ccccc21 11695958 CATPGJKSIAYSRG-UHFFFAOYSA-N 424.460 4.931 0 40 HJAB CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccco3)C[C@@H]21 12196499 ZELCQWUTVKXZPG-MHECFPHRSA-N 420.465 4.938 0 40 HJAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)c2csc3c2CCCC3)C1 12238755 QBGHVFDUCDTMAC-FQEVSTJZSA-N 418.566 4.922 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)cc1Cl 12249564 SOPDGPAVPQTDFH-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB O=C(CSc1ccccn1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 12609359 OMBNCFXTZNIANJ-QGZVFWFLSA-N 403.463 4.891 0 40 HJAB C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CC=C(c2ccc(O)cc2)CC1 12810512 AQPOMAWXTGIXPX-AWEZNQCLSA-N 404.482 4.823 0 40 HJAB CCCc1noc(CSc2nc3ccccc3c(=O)n2[C@@H](C)c2ccccc2)n1 12920581 NXUBRKJQHIZRDC-HNNXBMFYSA-N 406.511 4.634 0 40 HJAB O=C(CSc1nnc(SCc2cccs2)s1)NCCCc1ccccc1 12986787 ASBJOKKKVWUKCN-UHFFFAOYSA-N 421.638 4.733 0 40 HJAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3ccccc3F)cc2n1 13225479 VBLMXKNEYQZEBI-MRXNPFEDSA-N 406.383 4.563 0 40 HJAB CN(Cc1ccccc1)C(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 13579472 MIMIFRCFYPFDAQ-JLPGSUDCSA-N 409.489 4.597 0 40 HJAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)NCCc1cccs1 14128973 BVLVCBFUSZVSGI-UHFFFAOYSA-N 423.538 4.948 0 40 HJAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Br)cc1Cl 17089703 ALZXQQBBYUCBQD-UHFFFAOYSA-N 413.724 4.546 0 40 HJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3Cc3cccnc3)cc2N1 19451226 NVAKIUQHADPTNX-QXAKKESOSA-N 407.484 4.949 0 40 HJAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C2CCC2)C1 19528441 FOXFOEBPHVRGDY-DEOSSOPVSA-N 410.583 4.503 0 40 HJAB COCc1ccc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)cc1 19594393 DMEAYLFBUHKWDE-UHFFFAOYSA-N 417.431 4.748 0 40 HJAB FC(F)(F)c1cccc(OCCc2cc([C@@H]3CCCN3Cc3ccccn3)n[nH]2)c1 19703691 NGBWHQAWJNXYNW-NRFANRHFSA-N 416.447 4.782 0 40 HJAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccco4)c3[C@H]2c2ccccc2)cc1 20855104 LUIPEJDHEPNGQM-JOCHJYFZSA-N 413.433 4.596 0 40 HJAB Cc1ccc(NC(NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(F)(F)F)nc1 22078902 RBPSDWPVMHTPSI-UHFFFAOYSA-N 411.733 4.706 0 40 HJAB COc1ccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 22507607 ZGASVEAMMNVVGI-UHFFFAOYSA-N 401.466 4.819 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 24986165 LJPQRNDINNBGBH-CABCVRRESA-N 412.481 4.544 0 40 HJAB C[C@H](OCCCNC(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1)c1ccccc1 25672886 JIAHYIBDBXKUPJ-AVRDEDQJSA-N 422.550 4.503 0 40 HJAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1nnc(C(C)C)s1 26601801 VCKPTCGLXVJOSA-UHFFFAOYSA-N 407.952 4.540 0 40 HJAB O=C(CSc1ccc2ccccc2c1)NC1CCN(CCc2ccccc2)CC1 27938844 WWKVLNDXXYFYGX-UHFFFAOYSA-N 404.579 4.755 0 40 HJAB O=C(Cc1csc(-c2cccs2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 32740783 AXSCHBANWATCRQ-INIZCTEOSA-N 412.536 4.549 0 40 HJAB COc1cc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc(OC)c1 36705393 KERGLQWABPMFMI-UHFFFAOYSA-N 419.437 4.730 0 40 HJAB O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 40086806 SKZDSAQYOYCBJL-LBPRGKRZSA-N 412.704 4.533 0 40 HJAB CSCc1cccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1 40106658 IENHMVJMQDFPKP-UHFFFAOYSA-N 412.536 4.603 0 40 HJAB Cc1ccc(NC(=O)CNc2ccc(Cl)cc2NC(=O)c2ccco2)cc1F 40115534 YENKOTVGFJTWMA-UHFFFAOYSA-N 401.825 4.683 0 40 HJAB CNC(=O)COc1ccc(/C=C/c2nc3c(ccc4ccccc43)s2)cc1OC 40139581 MAEBDVBJSISSOL-XYOKQWHBSA-N 404.491 4.753 0 40 HJAB COc1ccccc1-c1nc(CS(=O)(=O)C23CC4CC(CC(C4)C2)C3)cs1 40152177 ZOQWZKXRLZRBOI-UHFFFAOYSA-N 403.569 4.702 0 40 HJAB CC(C)c1nnc(C2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)o1 44098639 WZVZIRRZIHTDKR-UHFFFAOYSA-N 403.482 4.837 0 40 HJAB O=C(CN1CCCC[C@H]1c1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 57531706 JDUMBRAECBYFPB-NRFANRHFSA-N 418.566 4.664 0 40 HJAB O=C(Nc1nnc([C@@H]2CCCO2)s1)c1sc(-n2cccc2)nc1-c1ccccc1 61721267 PWJVIUXTJDBEKA-AWEZNQCLSA-N 423.523 4.556 0 40 HJAB COc1ccc(-c2c[nH]c3c(SCC(=O)Nc4cccc(C)c4C)ncnc23)cc1 71328150 NJEYBMVZTAMFIG-UHFFFAOYSA-N 418.522 4.981 0 40 HJAB CC(C)(C)OC(=O)N1CCC(O)(c2ccccc2COC(=O)CC2CCCC2)CC1 84200085 KQPASNYNIMXZFN-UHFFFAOYSA-N 417.546 4.529 0 40 HJAB COc1ccc(CCNC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccc(OC)cc2)(C4)C3)cc1 100775062 FZMKJSRFWAQFQB-OZMJAHNMSA-N 419.565 4.901 0 40 HJAB O=C(NCc1cccs1)c1cn2c3c(cccc3/c1=N/Cc1cccs1)CCC2 102238433 IWKYGGNRFKBATK-FLFQWRMESA-N 419.575 4.741 0 40 HJAB COCCn1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C 106682546 LVHYWVBRTCZFAA-WQRHYEAKSA-N 404.919 4.641 0 40 HJAB NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncnc2scc(-c3ccc(Cl)cc3)c12 110572287 KHMRTKOBQZNUBE-JQFCIGGWSA-N 412.946 4.635 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 222668721 JVIXGMJVYXSCBT-KRWDZBQOSA-N 400.950 4.605 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 223605473 QIMLWPLFUBNSMK-QHCPKHFHSA-N 424.585 4.913 0 40 HJAB O=S(=O)(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc2ccccc2c1 224250342 GYGKOSQYURVLNT-UHFFFAOYSA-N 401.900 4.813 0 40 HJAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(C(C)C)cc1Br 224568337 ZOCWMHFROWNRPK-CQSZACIVSA-N 406.320 4.837 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 224774378 OCHWLCKKJFFBCR-QHCPKHFHSA-N 412.549 4.565 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 224939035 SOGYAEFYWNGMSV-JOCHJYFZSA-N 412.961 4.749 0 40 HJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225699311 YEAUGMHZALWYHX-YOSAUDMPSA-N 404.595 4.967 0 40 HJAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](Nc2cccc(F)c2)[C@H]1CC(C)C 257260575 LDLWKRVZCJIBBY-FGZHOGPDSA-N 401.526 4.881 0 40 HJAB C[C@@H](SCc1ccccc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408563294 LDSBAYAMVIWOLV-MRXNPFEDSA-N 408.489 4.676 0 40 HJAB CNC(=O)c1cc(Oc2cccc(Oc3ncncc3-c3ccccc3)c2C)ccn1 538093947 MXXMCVGYHWPHMP-UHFFFAOYSA-N 412.449 4.791 0 40 HJAB CC(C)c1nccn1Cc1cccc(NC(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1 566632177 VNNQVGLLSDNDNN-HSZRJFAPSA-N 417.557 4.575 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2ccccc2)c1C 844281 DHRYZNOUURSQNM-UHFFFAOYSA-N 414.508 4.799 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc3cc(C)c4ccccc4n23)cc1 1221466 VPLHXBACEWAHDV-OAHLLOKOSA-N 404.495 4.513 0 40 HJAB Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc5c(c4)OCO5)c(C)c3cc2c1C 2094778 QIUALMCVCAAWAG-UHFFFAOYSA-N 419.433 4.764 0 40 HJAB biogenic Cc1cc(C)c(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)c(C)c1 2446915 XKPDXTOIVIKNMB-UHFFFAOYSA-N 417.538 4.531 0 40 HJAB CCCCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(OC)cc1 2706308 DQZLXVLNKRCJBD-UHFFFAOYSA-N 415.588 4.867 0 40 HJAB COc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1OC 2961588 NSTPMDSXGPTINU-UHFFFAOYSA-N 405.479 4.936 0 40 HJAB Cc1cc(C)c(S(=O)(=O)N(C)C(=O)c2cc3c(s2)CCCCCC3)c(C)c1 3426200 DJUKIWHQLBTIBT-UHFFFAOYSA-N 405.585 4.793 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)Nc3c(Cl)cccc3Cl)o2)cc1 3432286 DNLLDVXMVLGPLR-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB O=C(c1ccc(-c2ccccc2)cc1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccccc1 4286274 DHWWPWWXZPABAP-QFIPXVFZSA-N 410.395 4.963 0 40 HJAB Cc1ccccc1OCc1nnc(SCc2cccc(Br)c2)n1C 4698665 VRMFVJHFHSDVNU-UHFFFAOYSA-N 404.333 4.757 0 40 HJAB COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccc(Cl)cc2)ccc1O 4776233 HAZRINAWSLTYFD-PTUXOGIPSA-N 401.934 4.923 0 40 HJAB COc1cc(OC)cc(C2=NC3(CCCCC3)N(C(=O)c3ccc(C)cc3)C2=S)c1 4891825 KNLWIAIMPGPZAS-UHFFFAOYSA-N 422.550 4.945 0 40 HJAB COc1ccc([C@@]2(C(=O)Nc3ccccc3C)CC(=O)N2c2ccc(C)cc2C)cc1 6756899 ZWIXGTMIVSKCBG-AREMUKBSSA-N 414.505 4.891 0 40 HJAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)N[C@H](c1ccccc1)c1cccs1 7240584 FPQKWHHNRHXHPJ-QGZVFWFLSA-N 414.943 4.671 0 40 HJAB C[C@@H](c1ccncc1)n1nccc1NC(=O)c1cccnc1Sc1ccccc1 7781591 JTRYWVDAHLDGQF-INIZCTEOSA-N 401.495 4.686 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)CCNC(=O)c2ccccc2Cl)cc1 8394269 HOAFCGKDOVMWLB-NRFANRHFSA-N 414.933 4.612 0 40 HJAB Cc1cccc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(Br)cc2)c1C 8587457 FYJXEWQNFXNMBL-ZDUSSCGKSA-N 416.275 4.522 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc2snnc2c1 8843834 JPVKIJKXGNVELC-UHFFFAOYSA-N 409.492 4.849 0 40 HJAB CC(C)c1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1 8901542 MXGUJHFLOOPZOI-NRFANRHFSA-N 406.617 4.767 0 40 HJAB CCc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(F)c3)c3ccccn23)cc1 9408805 MKSHKOBRPKCUDL-UHFFFAOYSA-N 401.441 4.706 0 40 HJAB O=C(COC(=O)Cc1c(F)cccc1Cl)Nc1c(Cl)cccc1C(F)(F)F 9441981 QSRVYXOSLYMDDM-UHFFFAOYSA-N 424.177 4.876 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 10449881 GEMCNTGKGLELOW-UPCLLVRISA-N 418.518 4.645 0 40 HJAB CCOc1c(Cl)cc(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1Cl 10475470 KLKPJMSGAWODEM-GOSISDBHSA-N 407.297 4.659 0 40 HJAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1)c1cccs1 11148982 GARQOBSDXFUXFU-HNNXBMFYSA-N 421.494 4.664 0 40 HJAB COc1ccc([C@@H]2CC(=O)c3c(C)cc4oc(=O)c5c(c4c3O2)CCCC5)cc1OC 12297013 OVMHSCAYEDLKEV-IBGZPJMESA-N 420.461 4.704 0 40 HJAB biogenic O=C(Nc1nc2ccc(Cl)cc2s1)C1CCN(C(=O)c2ccsc2)CC1 12552092 ZCHDFYFBYSCXBT-UHFFFAOYSA-N 405.932 4.502 0 40 HJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 12823340 IMFCYIHYJWBTST-UHFFFAOYSA-N 409.873 4.611 0 40 HJAB O=[S@@](Cc1cc(Sc2ccccc2)nc(-c2cccnc2)n1)c1ccccc1 12960463 YPJXNMNPTAARKC-MUUNZHRXSA-N 403.532 4.998 0 40 HJAB CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13711966 KVZHFURMQIIYOA-LJQANCHMSA-N 408.951 4.647 0 40 HJAB COc1ccc(-n2c(C)nc3ccc(OCc4cccc(Cl)c4)cc3c2=O)cc1 13726256 JCTIICYIOJCVMT-UHFFFAOYSA-N 406.869 4.935 0 40 HJAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)c1C 14405243 SMOFYJXLVZCDIT-UHFFFAOYSA-N 420.513 4.813 0 40 HJAB C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(Cl)cc1 17959482 BJWJCBFABFBRAF-ZDUSSCGKSA-N 411.855 4.848 0 40 HJAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CC=CCC2)C1 19579782 AXQXHRWIKKCLFU-PXDATVDWSA-N 422.594 4.621 0 40 HJAB FC(F)(F)c1ccc(OCCc2cc([C@@H]3CCCN3Cc3ccccn3)n[nH]2)cc1 19703693 WDEJLDJIIQSOGC-NRFANRHFSA-N 416.447 4.782 0 40 HJAB Cc1nc([C@H]2CCCN2Cc2cccc(F)c2)ccc1C(=O)NCc1ccc(F)cc1 19709328 FZMCRJUOKNPWTB-XMMPIXPASA-N 421.491 4.935 0 40 HJAB O=C(Nc1ccc(C(=O)OCc2cc(-c3cccs3)on2)s1)c1ccco1 23576562 VRRCGGFRIIEZQW-UHFFFAOYSA-N 400.437 4.667 0 40 HJAB COc1ccc(-c2nsc(NC(=O)c3oc4cc(C)ccc4c3C)n2)cc1OC 27794520 RLNFUBDFTMFAOR-UHFFFAOYSA-N 409.467 4.838 0 40 HJAB CN(C)c1ccc([C@H](CNC(=O)Cc2ccccc2F)c2c[nH]c3ccccc23)cc1 28881680 IJHGUELQHWQQBM-QFIPXVFZSA-N 415.512 4.864 0 40 HJAB COc1ccccc1[C@@H](CNCc1ccc(OCc2ccncc2)cc1)N1CCCC1 30544300 MVTFBFMRJJCBTJ-RUZDIDTESA-N 417.553 4.596 0 40 HJAB Cc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1F 32578558 QYJLZKSHINUPRI-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB CC[C@H](C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 32903711 ZLQXJWGXMXEXFX-YJBOKZPZSA-N 420.600 4.609 0 40 HJAB CSCc1c(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)oc2ccccc12 32988558 BHNVWVDLHFPESI-GOSISDBHSA-N 402.947 4.982 0 40 HJAB CCOc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)cc1 33012839 KEJSGPQPEJAOLV-UHFFFAOYSA-N 415.449 4.967 0 40 HJAB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(Br)cc1 33758486 MTOMQQDPZPEDHC-OEAKJJBVSA-N 404.267 4.708 0 40 HJAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccccc3Cl)n2)cn1 40268088 PFMSBTKQBFLQPP-UHFFFAOYSA-N 420.856 4.778 0 40 HJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)c(C)c3)n[nH]2)cc1 51315504 FJMGLYQIHBHPPX-UHFFFAOYSA-N 400.276 4.799 0 40 HJAB Cc1nc(NC(=O)COC(=O)c2[nH]c3ccccc3c2Cl)c(Cl)cc1Cl 58005801 KXMBMNIHEZZFIM-UHFFFAOYSA-N 412.660 4.627 0 40 HJAB O=C(CCS(=O)(=O)C1CCCC1)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 58329647 ZRKGRURVRSGTNK-SFHVURJKSA-N 417.493 4.507 0 40 HJAB O=C(CSc1nccn2nc(-c3cccs3)cc12)NCc1ccc(Cl)cc1 67290182 FQBNGOMPYMZOOH-UHFFFAOYSA-N 414.943 4.520 0 40 HJAB COc1cccc2cc(C(=O)NCC3CCN(c4nc5ccccc5s4)CC3)oc12 70931680 TZFWRGNBYOJAKK-UHFFFAOYSA-N 421.522 4.698 0 40 HJAB Cn1c(C(=O)N2CCc3[nH]c4ccc(OC(F)(F)F)cc4c3C2)cc2ccccc21 71289012 UFKXFUWFKFXZNO-UHFFFAOYSA-N 413.399 4.757 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N3CCCCCC3)nc2)cc1 72216681 BQZHFNQQYZTIHC-QFIPXVFZSA-N 413.587 4.686 0 40 HJAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@H]3c3ccc(Nc4ccc(F)cn4)cn3)c2c1 72353249 YRDSTOGFKNAYQM-FQEVSTJZSA-N 416.460 4.521 0 40 HJAB CC(C)Oc1ccc(CNC(=O)Cc2cnc3ccccc3c2)c(C(F)(F)F)c1 97002235 CEYGRXBTOUIVCN-UHFFFAOYSA-N 402.416 4.900 0 40 HJAB Clc1ccc([C@H]2C=C(c3ccc(Br)cc3)Nc3nnnn32)c(Cl)c1 100994694 ZFRXWBAVTKMDCD-OAHLLOKOSA-N 423.101 4.798 0 40 HJAB CC1CCN([C@@H](C(=O)Nc2nnc(-c3ccccc3F)s2)c2ccccc2)CC1 141592151 VSDWZDVJGDNGRV-LJQANCHMSA-N 410.518 4.756 0 40 HJAB CCc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 222542378 CXMLLEWOWMCVEW-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1Cl 223305625 DARZTDOSFVXLSF-CQSZACIVSA-N 411.951 4.829 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C(C)C 223532160 WQVZSPLDMJPPLA-FGZHOGPDSA-N 405.571 4.649 0 40 HJAB Cc1cc(NC(=S)NCc2ccc(Cl)cc2Cl)ccc1N1CCCC1=O 225307943 JMAMVTQNACGAHW-UHFFFAOYSA-N 408.354 4.915 0 40 HJAB CC(C)(C)c1ccc(-n2nc(C(=O)Nc3ccccc3Cl)sc2=NC#N)cc1 252674750 SLLYWGNUFXKKSD-UHFFFAOYSA-N 411.918 4.519 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1C 408654183 JZWZNHJSXNPPHC-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)c(C)c1 409103258 GCUPATZBAKSCSU-UHFFFAOYSA-N 409.559 4.652 0 40 HJAB O=C(NCCc1ccccc1Cl)N(Cc1ccccc1)C[C@H](O)c1ccsc1 1676159894 PSYRGJLLUMFUFH-NRFANRHFSA-N 414.958 4.889 0 40 HJAB O=C(NC[C@H](O)CCc1ccccc1)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 1682121557 JBZRAQNMKZLZGB-KSEOMHKRSA-N 400.950 4.659 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc2c1CCCCCC2 669368 XMOMHONWQIIKAW-UHFFFAOYSA-N 417.527 4.853 0 40 HJAB C[C@H]1CCCN(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 901699 GMTPLPOTVWTVSF-NSHDSACASA-N 401.479 4.575 0 40 HJAB Cc1ccc(Cc2cnc(NC(=O)COc3ccc(Br)cc3)s2)cc1 940029 RZRRETVAJYJYLN-UHFFFAOYSA-N 417.328 4.822 0 40 HJAB Cc1cc(OCc2ccc(C(=O)Nc3ncn(Cc4ccccc4)n3)o2)ccc1Cl 2796540 QLKFZQNXDROGDQ-UHFFFAOYSA-N 422.872 4.713 0 40 HJAB Cc1ccccc1C(=O)NC(=S)N(CCc1ccccc1)CCc1ccccc1 3281241 AONBSRRHEPUDEY-UHFFFAOYSA-N 402.563 4.797 0 40 HJAB C[C@@H](OC(=O)c1cccc(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1 3373223 KKXVLQKUUOUUKH-SNVBAGLBSA-N 416.193 4.652 0 40 HJAB COc1cc(NC(=S)Nc2ccc(SC(F)F)cc2)cc(OC)c1OC 3414946 PDEZVGUHVIJTRJ-UHFFFAOYSA-N 400.472 4.836 0 40 HJAB C/C(=C/c1ccccc1)[C@@H]1NC(=O)c2c(sc3c2CCN(Cc2ccccc2)C3)N1 4544040 ZBSFCAUVBMSGLK-VOJYKXCQSA-N 415.562 4.891 0 40 HJAB CC(C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)cc1 4822937 CCYJATNBUBMDOO-UHFFFAOYSA-N 414.461 4.996 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccn(Cc2ccccc2Cl)c1=O 5269846 FMPLBINJLXPYRE-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB Cc1c(CC(=O)NCc2cccnc2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 5349151 DQPBUKFZVBNRAU-UHFFFAOYSA-N 418.493 4.707 0 40 HJAB CCc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O 5352192 CBOIXYHBDMRFPZ-UHFFFAOYSA-N 409.536 4.696 0 40 HJAB CCCCCCC(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)O)c1ccccc1Cl 5618940 QSKPZKQBDISPJO-RTBURBONSA-N 413.967 4.633 0 40 HJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OC)c2cccc(OC)c12 6594658 OPUIIJKJCUCQGI-FQEVSTJZSA-N 410.495 4.625 0 40 HJAB CCOc1ccccc1CN1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 6790961 FQWIETFSWUKQHB-VWLOTQADSA-N 420.597 4.779 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 8160616 CZCSOBLUOZQUHR-CXAGYDPISA-N 410.297 4.957 0 40 HJAB CN(C(=O)CSc1nnc(Nc2ccccc2)s1)[C@H]1CCCc2ccccc21 8192406 DIOOXTCDIJGIEB-SFHVURJKSA-N 410.568 4.910 0 40 HJAB COc1cccc(C(=O)COC(=O)c2ccccc2CSc2nc(C)cs2)c1 9622488 RJCRJCAFLUUVPA-UHFFFAOYSA-N 413.520 4.792 0 40 HJAB CN(Cc1ccccc1Cl)C(=O)NCc1ccc(COCC(F)(F)F)cc1 9756649 ZXBFWAJBHZZSBI-UHFFFAOYSA-N 400.828 4.761 0 40 HJAB COc1ccccc1C(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@H]1c1ccccc1 10060313 YWBROZUSGPSVMC-GOTSBHOMSA-N 424.504 4.976 0 40 HJAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1 11512495 SISTUKGXZFBWCM-UHFFFAOYSA-N 415.898 4.929 0 40 HJAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1nc2ccc(F)cc2s1 11807641 LBGVDZWEAJMQFZ-UHFFFAOYSA-N 403.385 4.940 0 40 HJAB O=C(CCc1cc(Cl)no1)Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1 12322814 GZSATXHOAZRTCZ-UHFFFAOYSA-N 412.804 4.812 0 40 HJAB biogenic CSc1ccc(CN(C)C(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)cc1 12781687 GOXDRKBQWUMYBG-UHFFFAOYSA-N 412.584 4.687 0 40 HJAB O=C(CSc1nc2ccccc2o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12785822 ZBGHGKPKVKXTTH-CQSZACIVSA-N 409.536 4.936 0 40 HJAB CN(CCCNC(=O)Cc1csc(-c2ccccc2Cl)n1)Cc1ccccc1 12790196 NFKXLVMIHCWAEF-UHFFFAOYSA-N 413.974 4.644 0 40 HJAB Cc1cc(C(=O)OCC(=O)N2CC[C@@H](C)Sc3ccccc32)c2ccccc2n1 13074090 FILFVIQNCMVVJZ-MRXNPFEDSA-N 406.507 4.618 0 40 HJAB Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2cccs2)C4)c1 13634414 FKCDBUNQJKTFTK-OAHLLOKOSA-N 406.536 4.699 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2cc(Cl)ccc2O)nnc1-c1ccccc1 13858107 KKOZGPDDWGUNOK-UHFFFAOYSA-N 416.934 4.691 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)N(Cc1cccs1)c1ccc2c(c1)OCCO2 14228302 CGNQBDBMUPERIR-UHFFFAOYSA-N 404.491 4.777 0 40 HJAB O=C(NC(=S)Nc1cccc(Br)c1)c1ccc(Cl)cc1Cl 14553303 WSMAISMPADBRBE-UHFFFAOYSA-N 404.116 4.883 0 40 HJAB O=C1c2ccccc2CC[C@@H]1[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 15081785 KGRYFFCIRSPHFM-SQJMNOBHSA-N 417.892 4.520 0 40 HJAB CCc1cccc(C)c1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 15398084 LOYDGNQWMJKQSU-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB CCOC(=O)/C(=C/Nc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1 17126197 BBLFDWITKFUTNG-QJOMJCCJSA-N 416.477 4.512 0 40 HJAB CCN(CC)CCNc1nc(Nc2cccc(C)c2)c2cnn(-c3ccccc3)c2n1 17287690 PILHOAJDPSLKBY-UHFFFAOYSA-N 415.545 4.621 0 40 HJAB C[C@@H]1CC(=O)N(c2cccc(C(=O)Nc3cccc(-c4cccc(F)c4)c3)c2)C1=O 19462380 LFFXPKLWUSZHRR-OAHLLOKOSA-N 402.425 4.644 0 40 HJAB COc1ccc(CN2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)c(OC)c1 19564332 QDCHAYJSGDNBIY-CQSZACIVSA-N 417.456 4.866 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 20036416 IPFZUOFHUGKZFD-CQSZACIVSA-N 407.919 4.863 0 40 HJAB CCOc1ccc(CCC(=O)NCc2ccc(OCC)c(OCC)c2)cc1OCC 20452487 BMTRZZZOLPQFCE-UHFFFAOYSA-N 415.530 4.530 0 40 HJAB O=c1c2cnc(Nc3nc(-c4ccccc4)cs3)nc2ccn1Cc1ccccc1 20799728 QLWZMUKHRYXSPI-UHFFFAOYSA-N 411.490 4.707 0 40 HJAB O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(Cc2ccccc2)CC1 23379345 YMBPUMPWCZYWTJ-UHFFFAOYSA-N 413.546 4.921 0 40 HJAB O=C(NCc1ccc(F)cc1)c1ccc(COc2ccccc2Br)o1 27971975 ZCLLNRYNBKDQJN-UHFFFAOYSA-N 404.235 4.690 0 40 HJAB Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1C(F)(F)F 32865847 BQZNYWBKBYGMGU-UHFFFAOYSA-N 407.388 4.777 0 40 HJAB CCOc1cc(CO)c(Br)cc1OCc1ccc(Br)cc1 34772810 QSZSEQRJMLMLSI-UHFFFAOYSA-N 416.109 4.682 0 40 HJAB CC(C)(C)C1CCC(C(=O)OCc2nnc(-c3ccc(Br)o3)o2)CC1 35434511 WLIOPYFCBGELRF-UHFFFAOYSA-N 411.296 4.988 0 40 HJAB C[C@@H]1CCCC[C@H]1N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)n2c1nc1ccccc12 39964060 RKURYZYBBQHUCF-QFIXIFRTSA-N 420.488 4.671 0 40 HJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)/C=C/c1ccccc1OC(F)F 40057820 ZFDAQJFLLUTDJZ-ZHACJKMWSA-N 407.367 4.705 0 40 HJAB Cc1ccccc1C(=O)N1CCC(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)CC1 40112887 KNLOQBSUJZGZGS-IBGZPJMESA-N 408.542 4.512 0 40 HJAB O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cc(Br)ccc1F 40152478 UWDYTZDOTLKVQC-UHFFFAOYSA-N 411.234 4.550 0 40 HJAB CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 58167067 UOMMZNBYIMIVAN-REWPJTCUSA-N 406.570 4.752 0 40 HJAB COc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c(OC)c1 59294142 JWUKPBQAMBWERD-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB CCc1ccc(CN(Cc2cccnc2)C(=O)NC[C@H](c2cccs2)N(C)C)cc1 62580078 OENWVVSFEUJKBO-JOCHJYFZSA-N 422.598 4.720 0 40 HJAB O=c1c2ccccc2c(-c2nc(-c3cccc(Cl)c3)no2)nn1-c1ccc(F)cc1 64949994 AXXBCIWYAGRFFL-UHFFFAOYSA-N 418.815 4.895 0 40 HJAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cccc2c3c([nH]c12)CCCC3 71823530 ALEYKXKISJRROZ-UHFFFAOYSA-N 406.501 4.664 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1)c1cccc(F)c1 72330500 VFWHJSAJTQKKPG-RDPSFJRHSA-N 421.491 4.743 0 40 HJAB O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1ccc(OC(F)(F)F)cc1 90613664 OSDZOJWZAARKHV-MRXNPFEDSA-N 413.442 4.720 0 40 HJAB Cc1ccnc([C@@H](Nc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)C2CC2)n1 95446203 IRWJLKYSWRHWSO-IBGZPJMESA-N 414.538 4.904 0 40 HJAB COc1ccc(Cc2nn3c(-c4oc5ccccc5c4C)nnc3s2)cc1OC 96194264 GWQWZZCBKCNYNE-UHFFFAOYSA-N 406.467 4.515 0 40 HJAB Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=O)N(C(C)C)C3=O)c2)cc1C 108935868 BHXKXMSZPMLMKG-NDENLUEZSA-N 424.522 4.766 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(Cl)c2)cc1Cl 138878889 LXLQIYVYFPZUDC-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 219242575 XLOFEZDWNZROTN-KRWDZBQOSA-N 424.570 4.692 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 222555638 KMYZFXVRDSHJHY-HXUWFJFHSA-N 418.990 4.764 0 40 HJAB Cc1ccccc1CN(C(=O)CCSc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C 222677991 MQNDUTVGRHBJOH-IBGZPJMESA-N 412.599 4.809 0 40 HJAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccc(OC)c(C)c1 225036996 VJRSWIIAKYGRGZ-ZDUSSCGKSA-N 418.342 4.749 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1C 225041079 IHFWBWDPSSIJCG-PKTZIBPZSA-N 419.598 4.512 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 225212583 HIZRBRRRGZAMLZ-QZTJIDSGSA-N 416.562 4.640 0 40 HJAB O=C(Nc1nnc(-c2ccccc2)s1)C1CCN(Cc2ccccc2Cl)CC1 225238928 CMEZKCNMBPUYEC-UHFFFAOYSA-N 412.946 4.709 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(C)C 225613268 POWSGQMVBYUULN-INIZCTEOSA-N 421.368 4.786 0 40 HJAB Fc1cc(Br)ccc1NC(=S)NCCOc1ccccc1Cl 225780289 JHLGELKRHUMAML-UHFFFAOYSA-N 403.704 4.607 0 40 HJAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1)Nc1ccccc1Cl 253576514 VXXWUHIGIXXJLC-UHFFFAOYSA-N 402.951 4.657 0 40 HJAB O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@H](Cc2cccc3cccnc23)CC1 257230316 GBSDVZDSLQFCLG-NRFANRHFSA-N 424.548 4.965 0 40 HJAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc(C)c1Br 408639122 FHZZLRWMHUFXPJ-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(Cl)c4C)c3)C(=O)[C@@H]2C1 408683179 MHSZCTRBCHNFTR-ZWKOTPCHSA-N 408.885 4.746 0 40 HJAB Cc1ccc(OCc2nn(CC(=O)Nc3cccc4ccccc34)c(=S)o2)cc1 409170803 WMOHXRXECKLHSM-UHFFFAOYSA-N 405.479 4.885 0 40 HJAB Nc1ccc(-c2nc3ccccc3n2-c2ccc(I)cc2)cc1 575415179 XKAOWDJMEXCRTE-UHFFFAOYSA-N 411.246 4.879 0 40 HJAB O=C1CC[C@]2(CCCN(Cc3ccc4c(c3)CCC4)CC2)N1Cc1ccc(F)cc1 585100761 VRWXQWLPYZHLJJ-SANMLTNESA-N 406.545 4.862 0 40 HJAB O=C(Nc1nc([C@H]2CCCN2Cc2ccc(Cl)nc2)cs1)c1ccc(F)cc1 585294920 LMTWDLCGZQAZMD-QGZVFWFLSA-N 416.909 4.920 0 40 HJAB Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 603696583 TWFGRHALBSVJIF-ZDUSSCGKSA-N 406.511 4.951 0 40 HJAB C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2cc3c(s2)CCCCC3)C1=O 1544371958 TWXSNYORJAZVBG-HNAYVOBHSA-N 414.546 4.638 0 40 HJAB C[C@@]1(CCC(=O)O)Oc2c(-c3ccccc3)cccc2[C@@H]2O[C@H](CCCN)CC[C@H]21 2037879422 VSRBGAMEHIVPGF-YNGFEMSNSA-N 409.526 4.945 0 40 HJAB COc1ccc(-n2c(SCC(=O)OC3CCCCC3)nnc2-c2ccccc2)cc1 649741 VYTDXUFZEWECAE-UHFFFAOYSA-N 423.538 4.911 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2cc(C)c(Cl)c(C)c2)sc2c1CCC2 672832 RTPSOYNJDXLQCZ-UHFFFAOYSA-N 407.919 4.701 0 40 HJAB COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@]32CCOC(C)(C)C2)c1 1322997 UFIMLKDNTIHZMN-YKSBVNFPSA-N 408.498 4.533 0 40 HJAB biogenic CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@H](C1)N2CCc1ccccc1 1368995 RSRWANORXWLERH-FGZHOGPDSA-N 407.558 4.835 0 40 HJAB O=C1CCCC[C@@H]1Sc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 2639395 WANSGJRJCHNYJJ-IBGZPJMESA-N 424.591 4.793 0 40 HJAB O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1cccs1 2699357 TUEIWYDNYHSCAL-UHFFFAOYSA-N 412.277 4.729 0 40 HJAB Cc1ccc2c(c1)C1=C([C@@H](c3cccc(F)c3)O2)[C@H](c2cccs2)N2NC=NC2=N1 2707291 XHSCQTGZVIVAEB-FCHUYYIVSA-N 416.481 5.000 0 40 HJAB C[C@@H](NC(=O)C(=Cc1ccsc1)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 3262029 OFNRXIYMEPLHSE-QZTJIDSGSA-N 404.535 4.886 0 40 HJAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccc(OC(F)F)cc1 3272211 XZNICGGSLKONBC-UHFFFAOYSA-N 412.392 4.827 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)NCCCc3ccccc3)s2)cc1C 3289493 VTHFUOKGYDRIDR-UHFFFAOYSA-N 412.584 4.740 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2ccc(C)c(C)c2)CSC3)c1 4088829 AYWIPQULOJCMRD-UHFFFAOYSA-N 409.511 4.505 0 40 HJAB CC(C)CCOC(=O)[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 4694501 GWKAZQKZPGPUOI-OAQYLSRUSA-N 417.571 4.593 0 40 HJAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc2ccccc2c1 4703774 LLRSFRWXGXAPLH-UHFFFAOYSA-N 416.502 4.674 0 40 HJAB COc1ccc(-c2ccc(Nc3ccc(C(=O)N4CCCCCC4)cc3)nn2)cc1 4859044 FBRMVTBYBCSQCB-UHFFFAOYSA-N 402.498 4.912 0 40 HJAB CC(C)C(=O)N1CCCc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21 5099664 DYDMBTTWSKTKRY-UHFFFAOYSA-N 408.523 4.576 0 40 HJAB O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1C[C@@H]1CCCO1 5129777 BSFKNVXHFYAZRK-ZDUSSCGKSA-N 404.894 4.660 0 40 HJAB COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 5156919 IFYAVGLOSMGHLU-GBXCKJPGSA-N 400.434 4.666 0 40 HJAB CCCCOc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(C)c32)cc1 5234855 YOBLWZNVJGRYCK-UHFFFAOYSA-N 402.288 4.666 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3C)o2)c1 5294497 WAYUKVPVIXEQGI-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB CC[C@H](C)c1ccc(-n2c(S[C@@H](C)C(N)=O)nc3ccc(Cl)cc3c2=O)cc1 5449930 WIZRBGDVFXKBQS-STQMWFEESA-N 415.946 4.519 0 40 HJAB C[C@@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)NCc1ccco1 6364802 MXVLPAHLNUPRMK-GFCCVEGCSA-N 413.499 4.887 0 40 HJAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1 6386536 QYRXQJJJTAWPEX-UHFFFAOYSA-N 413.543 4.729 0 40 HJAB CCOc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=NCCCC2)cc1 6870361 QARMSZOQFNBFAD-UHFFFAOYSA-N 402.441 4.958 0 40 HJAB O=C(CN1CCC[C@@H]1c1cccs1)N1CCC(c2nc3ccccc3s2)CC1 7362918 FGUAVANDUYNGHL-GOSISDBHSA-N 411.596 4.901 0 40 HJAB O=C(Nc1ccc(-c2csc(NC(=O)c3ccncc3)n2)cc1)c1ccccc1 7741206 OHMVWWXEONCVOB-UHFFFAOYSA-N 400.463 4.710 0 40 HJAB O=C(Nc1ccc(Br)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 7882481 SFXGYWIZJSXVBN-OAHLLOKOSA-N 409.283 4.594 0 40 HJAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N[C@@H]1CCCc2ccccc21 8230568 DZVBWVGVISLWPC-IIBYNOLFSA-N 418.566 4.819 0 40 HJAB C[C@@H](Cc1nnc(NC(=O)Cc2ccc(Br)cc2)s1)c1ccccc1 9095430 NSGZIUIJUHLYFP-ZDUSSCGKSA-N 416.344 4.828 0 40 HJAB CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(CSc3ccccc3)s2)c1 9196882 FAVQGMJZEBQWBU-UHFFFAOYSA-N 412.540 4.677 0 40 HJAB Cc1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1NC(=O)c1ccco1 9216614 XJFOKILMQHIHJZ-QGZVFWFLSA-N 410.470 4.946 0 40 HJAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CC[C@H]2CCCC[C@H]2C1 9337263 JUZYFADIUXEFIU-IRLDBZIGSA-N 400.526 4.646 0 40 HJAB Nc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)sc2nc(-c3ccccn3)ccc12 9340627 CZYRTQHRJAKLHR-UHFFFAOYSA-N 404.539 4.639 0 40 HJAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)N(Cc1ccco1)C1=CCCCC1 9909559 JDOQTGQEOFYXGD-UHFFFAOYSA-N 412.490 4.783 0 40 HJAB O=C(CNc1cccc(Br)c1)N[C@H](c1ccccc1)c1cccs1 11113528 SHFFMMMVMXZDSQ-LJQANCHMSA-N 401.329 4.828 0 40 HJAB Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)n1 12224283 QOKWFKKZFCUKJQ-UHFFFAOYSA-N 423.904 4.585 0 40 HJAB O=C(CSc1nnc(COc2ccccc2)o1)Nc1cccc(Cl)c1Cl 12249396 QENHQPZKLAYNMM-UHFFFAOYSA-N 410.282 4.686 0 40 HJAB FC(F)(F)c1ccc(Cl)c(N2CN(CCCc3ccccc3)CNC2=S)c1 12376272 IMISOTBXBSRDHU-UHFFFAOYSA-N 413.896 4.903 0 40 HJAB Cc1cnc(-c2nc(C3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)no2)cn1 13227834 ZRGIYEXKGLVVQJ-UHFFFAOYSA-N 404.301 4.521 0 40 HJAB O=C(NCc1ccccc1F)C1(Cc2ccccc2-c2cccnc2)CCOCC1 13266935 OIGWJTNWHUJNBF-UHFFFAOYSA-N 404.485 4.543 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1F 15330574 RZAFTYAOBXTSFO-SECBINFHSA-N 417.072 4.757 0 40 HJAB CCOc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccsc2)cc1 15412316 KVWNRTNBLQXBJB-HSZRJFAPSA-N 420.534 4.885 0 40 HJAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(I)cc1 15501984 MGSUBDVKDGBREF-UHFFFAOYSA-N 413.642 4.546 0 40 HJAB CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)c1 16750328 BMUVZHYNQIJNHC-QFIPXVFZSA-N 421.493 4.552 0 40 HJAB CC[C@H](C)c1ccc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 17089798 WDLSFCIROOLVMV-VIFPVBQESA-N 414.424 4.892 0 40 HJAB Cc1sc(NC(=O)c2cnc3ccccc3n2)nc1-c1ccc(OC(F)F)cc1 19206168 SORBNGBFHQCBNI-UHFFFAOYSA-N 412.421 4.915 0 40 HJAB O=C(c1ccccc1)N1CCC(c2nc(-c3ccncc3)ncc2-c2ccncc2)CC1 19368686 WGMJWGDAORCMRF-UHFFFAOYSA-N 421.504 4.620 0 40 HJAB CC(C)c1nnc(CCC(=O)N2CCC[C@H]2c2ccc(Cc3ccccc3F)cn2)o1 19688480 QXSIKGFQEUFMRA-NRFANRHFSA-N 422.504 4.614 0 40 HJAB CCOC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(OCc2ccccc2)cc1 19810213 OAENEQKEMHFNNY-RUZDIDTESA-N 401.506 4.756 0 40 HJAB CCn1c2ccccc2c2cc(CN3CCN(C(=O)c4ccccc4F)CC3)ccc21 19831673 NBHHDLDLYXNJDR-UHFFFAOYSA-N 415.512 4.912 0 40 HJAB Cc1ccc(-c2nc(N3CCN(c4ccc(F)cc4)CC3)nc3c2CCCC3)cc1 20798148 ASFVOMNQUGGCHD-UHFFFAOYSA-N 402.517 4.797 0 40 HJAB O=C(CSCc1ccc(F)cc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 21273172 WUZBBUUQWZBRQS-QGZVFWFLSA-N 416.543 4.881 0 40 HJAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)n1 23012372 KQOQLVYTXYELGR-UHFFFAOYSA-N 403.463 4.603 0 40 HJAB Cc1ccc(N(Cc2ccco2)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 23298969 BULNEWNKKKSRMB-UHFFFAOYSA-N 408.523 4.735 0 40 HJAB Cc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCOCC2)cc1 27991873 IUPQAJTVKHHQBP-FQEVSTJZSA-N 412.917 4.506 0 40 HJAB COc1ccc([C@@H](CC(C)C)NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 30758252 BGQQIBRBLSLMOI-YNEJIKTKSA-N 413.514 4.638 0 40 HJAB CC(C)(C)C(=O)Nc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 32906484 JLLDFEVBFXGCIO-UHFFFAOYSA-N 420.513 4.668 0 40 HJAB Cc1nn(C)cc1-c1nn(Cc2ccc(Cl)cc2)c(-c2cn(C)nc2C)c1Cl 36611559 QMZXFKAMTYUFHH-UHFFFAOYSA-N 415.328 4.656 0 40 HJAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(CN2CCCCCC2)cc1 38831665 XKEWFWGPQUFUMH-UHFFFAOYSA-N 405.586 4.588 0 40 HJAB O=C(Cc1csc(-c2ccccn2)n1)N1CCCc2cc(OC(F)(F)F)ccc21 41866906 CBPVFJBJRIQDAE-UHFFFAOYSA-N 419.428 4.626 0 40 HJAB O=c1ccn(-c2ccccc2)nc1-c1nc(-c2ccc(OCc3ccccc3)cc2)no1 49006318 MRXFPSCEACGYAY-UHFFFAOYSA-N 422.444 4.529 0 40 HJAB Cc1cccc2sc(OC3CCN(C(=O)c4ccc(Br)o4)CC3)nc12 49431736 CHQANVRJPTVVLW-UHFFFAOYSA-N 421.316 4.644 0 40 HJAB COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1F 65493137 GKPOYANOBQFJBF-XMMPIXPASA-N 421.468 4.639 0 40 HJAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 69188405 KWQPWQNQJQFZAO-KZULUSFZSA-N 411.304 4.764 0 40 HJAB Cc1cc(I)ccc1NC(=O)[C@@H](C)SCc1ccccc1 69507834 YKLVJAZSPDUGTR-CYBMUJFWSA-N 411.308 4.860 0 40 HJAB COc1cc(OC)c2cc(C(=O)N3CCC[C@@H](Cc4ccc(C)cc4)C3)[nH]c2c1OC 70006042 LOPMXJLZILRICP-SFHVURJKSA-N 422.525 4.597 0 40 HJAB C[C@H]1CCCN(c2ncc(CN3CCc4nc(-c5cccc(F)c5)sc4C3)cn2)C1 72392042 OCGHULCGTPUGJQ-INIZCTEOSA-N 423.561 4.534 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@H](CC[C@H](O)c1ccc(F)cc1)Cc1ccc(O)cc1 77293430 CJMGACWDXHCPAC-JPYJTQIMSA-N 411.448 4.982 0 40 HJAB in-vitro Cc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)s1 84081738 DNYKNBPDQXPYJN-UHFFFAOYSA-N 404.841 4.748 0 40 HJAB C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@H]1CCn2c(cnc2-c2ccccc2)C1 95993256 MPJGXYSYXJGQDJ-RDJZCZTQSA-N 407.464 4.537 0 40 HJAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)Cc4ccc(Cl)cc4)CC3)o2)cn1 100155912 KDCJTURBWAPYTN-HDICACEKSA-N 424.932 4.726 0 40 HJAB C[C@@H]1[C@@H](NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)CCC[C@H]1C 102218618 AJBJYIWZJYWDJP-KEYYUXOJSA-N 416.345 4.637 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 223550449 WSFNLGBNGSZFGN-QGZVFWFLSA-N 418.990 4.684 0 40 HJAB COc1cc(C)c(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)cc1C(C)C 223737880 LUWMIEKACUHCSM-UHFFFAOYSA-N 419.587 4.782 0 40 HJAB Cc1ccccc1OCCNC(=O)C1CCN(Cc2cccc(Cl)c2Cl)CC1 224540796 ZKEDTRHGXUYZRI-UHFFFAOYSA-N 421.368 4.709 0 40 HJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 224676346 CGEYENYTDZZIAB-SFHVURJKSA-N 412.961 4.749 0 40 HJAB CCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225308295 YWHXALQPSQUMNL-XMMPIXPASA-N 406.570 4.794 0 40 HJAB COc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1OC 409027877 FWGSMXJMDLJOQV-UHFFFAOYSA-N 400.327 4.674 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(F)cc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409361651 QNYPJNOBWUNBNA-ZXYWRSMDSA-N 400.416 4.741 0 40 HJAB CC(C)CC(=O)N[C@H](C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 518962534 ZMALOCZYHQOJNI-IERDGZPVSA-N 420.475 4.656 0 40 HJAB O=C(Cc1cc2ccccc2o1)N1CCC(c2nc(-c3ccncc3)cs2)CC1 600361778 MBZVOTUEHUFPNY-UHFFFAOYSA-N 403.507 4.900 0 40 HJAB O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 681802543 DHILPBXCUCOMFM-KCWPFWIISA-N 423.516 4.646 0 40 HJAB Cc1cc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCC(C(C)(C)C)CC2)nn1C 1565524157 CLNARQPXUIHGMJ-UHFFFAOYSA-N 422.573 4.688 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(Cl)c(Cl)c2)n2ncnc2N1 646441 FQCGWLVNTBSFFZ-GOSISDBHSA-N 414.296 4.821 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 687322 KBXXLPZZKRTUBL-UHFFFAOYSA-N 400.935 4.737 0 40 HJAB CCOc1cc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)ccc1OC(C)=O 728500 PMGBDHVXBYHFNZ-NDENLUEZSA-N 401.418 4.508 0 40 HJAB CCc1nnc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)s1 1376433 YOXMCTRHOFSCSD-UHFFFAOYSA-N 413.572 4.822 0 40 HJAB CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc2oc3ccccc3c2c1 1428653 MIWZTLXVWVAEIK-QHCPKHFHSA-N 408.461 4.971 0 40 HJAB CC1=CC(C)(C)Nc2ccc(OS(=O)(=O)c3ccc(Br)cc3)cc21 2313622 PGRCKWOTLWOBMX-UHFFFAOYSA-N 408.317 4.824 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(C[C@@H]1CCCO1)C3=O 2421837 SGSOBPFEIVZVFE-LAUBAEHRSA-N 423.896 4.787 0 40 HJAB O=C1CN(C(=O)CCc2ccccc2)[C@@H](c2ccccc2)c2cc(Cl)ccc2N1 2494099 BRRGUDPYHCDHMM-DEOSSOPVSA-N 404.897 4.843 0 40 HJAB OCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 2714849 BCBFZJOAYKBJMH-UHFFFAOYSA-N 412.415 4.901 0 40 HJAB Cc1ccc(Sc2ccc(NC(=O)COc3ccccc3C(N)=O)cc2)c(C)c1 3426960 HYWVILQLSWZBTH-UHFFFAOYSA-N 406.507 4.571 0 40 HJAB COc1ccccc1NC(=O)N(Cc1nnc2n1CCCCC2)c1ccc(C)c(C)c1 4518161 YKXMWIDEYQQZHW-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB CCn1c(SCC(=O)OCc2c(Cl)cccc2Cl)nnc1-c1ccco1 4788330 CRQHYJQBLKTHCB-UHFFFAOYSA-N 412.298 4.700 0 40 HJAB Cc1ccc(NC(=O)C2CCCCC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 5504822 ANZCLIIYEDSLNM-UHFFFAOYSA-N 406.935 4.968 0 40 HJAB CC(C)CCN/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 5976894 KUSXZAIMKJBPHF-CPNJWEJPSA-N 402.416 4.869 0 40 HJAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)NCCc1ccc(Cl)cc1 6787141 SHUATLSMFYPCSF-UHFFFAOYSA-N 420.336 4.707 0 40 HJAB COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3)[C@@H]2c2ccccc2)cc1 8270346 INTTUGGCOTZNQG-UPVQGACJSA-N 400.478 4.818 0 40 HJAB Cc1sc2ncnc(SCC(=O)N(C)Cc3nc4ccccc4s3)c2c1C 8428567 PABABPCHLGRXOF-UHFFFAOYSA-N 414.581 4.669 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1ccccc1N1C(=O)c2ccccc2C1=O 8434229 SRNNWGSFQUYRGJ-UHFFFAOYSA-N 410.351 4.758 0 40 HJAB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1 9126600 IKGDUKFGPCBVRT-MOSHPQCFSA-N 418.474 4.523 0 40 HJAB CCn1c(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)nc2ccccc21 10054566 FXSLGFVEXAEVAX-UHFFFAOYSA-N 417.918 4.602 0 40 HJAB Cc1cc(C(=O)NC2CCCCCCC2)ccc1NS(=O)(=O)c1ccccc1 10314218 BXTKSMQZNWWIQS-UHFFFAOYSA-N 400.544 4.639 0 40 HJAB Cc1cc(C)c(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c(C)c1 10543773 LKCKMZCWTDFHGW-UHFFFAOYSA-N 413.514 4.808 0 40 HJAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nc(C4CC4)nc4ccccc34)ccc21 10949952 ASKQDIFIFSSBAV-AWEZNQCLSA-N 417.534 4.780 0 40 HJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cc(C)ccc2C)cc1 11115993 MZIHDMHFXOJRJE-FGZHOGPDSA-N 407.539 4.820 0 40 HJAB CCc1ccc(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1 11667137 NAOQTDCAYLWABB-UHFFFAOYSA-N 403.482 4.543 0 40 HJAB Cn1cc(Cl)c([C@@H]2CCCCCN2C(=O)c2cc(-c3ccccc3F)no2)n1 12119616 SRXWGLDVBCZYCC-KRWDZBQOSA-N 402.857 4.625 0 40 HJAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3cc(C(C)C)no3)cc2n1 12230302 XJTNGPKKLTVQMT-HNNXBMFYSA-N 421.423 4.535 0 40 HJAB COc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3cc(C)no3)nc12 12422348 PENDNQNBNNJECZ-UHFFFAOYSA-N 403.847 4.695 0 40 HJAB COc1ccccc1[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1nccn1C 12559994 RCNORJSAGKTMGA-KRWDZBQOSA-N 405.285 4.647 0 40 HJAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccc(Br)cc1 12625198 FKSBHWKFAVNKBC-UHFFFAOYSA-N 420.357 4.673 0 40 HJAB COc1ccc(C)cc1CN(C)[C@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12739415 GHYRWDGHHBDJPX-CQSZACIVSA-N 409.511 4.755 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cc(F)ccc1Br 12763940 OXGUNQVTUDDIJC-UHFFFAOYSA-N 419.275 4.899 0 40 HJAB CCOc1ccccc1-c1noc(CSc2nnc(C)n2-c2cccc(C)c2)n1 12813683 HCYZGBWBBDVKSE-UHFFFAOYSA-N 407.499 4.625 0 40 HJAB Cc1nn(C)c(C)c1NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 12889708 XOJYKZDWTAYWBC-UHFFFAOYSA-N 413.934 4.711 0 40 HJAB O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12973783 RFLRRGPVHCEANS-SJAGGWKPSA-N 404.913 4.625 0 40 HJAB COc1ccccc1C(=O)NCCCc1nc2ccccc2n1Cc1ccccc1C 13039576 BLCGHYBAIPZSCV-UHFFFAOYSA-N 413.521 4.764 0 40 HJAB COc1cc(CN(C)C(=O)COc2ccc(Cl)cc2Cl)ccc1OC(F)F 13097680 MHEIQTXYBAFPSB-UHFFFAOYSA-N 420.239 4.641 0 40 HJAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@](OC(C)=O)(C(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 13408529 SBWDYFUYGAMEGM-PMSHULSDSA-N 418.574 4.852 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@](C)(OC(C)=O)[C@@]4(C)CC[C@H]32)C1 13408725 VQRXERHIFBGNDD-PMVSDGGYSA-N 418.574 4.852 0 40 HJAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 14121529 ZBJNOTAIDKDPTD-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB O=C(NCc1ccccc1)c1ccccc1OCc1nc(-c2ccc(Cl)cc2)no1 14128938 TVHSZFHMJDDTBK-UHFFFAOYSA-N 419.868 4.899 0 40 HJAB CCOc1ccc2nc(NC(=O)CCC(=O)O[C@@H]3CC[C@H](C)[C@@H](C)C3)sc2c1 15318852 HPDUZEAHPLHGLC-OFQRWUPVSA-N 404.532 4.782 0 40 HJAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ccc(C(=O)OC(C)C)cc1)=C2 15838719 GWOWOKNCXCPSJD-UHFFFAOYSA-N 413.857 4.842 0 40 HJAB Cc1cccc(NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1C 16183092 AOFKVKJKMYTGLY-UHFFFAOYSA-N 409.477 4.968 0 40 HJAB CN(Cc1cccc(Cl)c1Cl)C(=O)C1CCN(C(=O)c2cccs2)CC1 17917168 WNVACXADSZRAGL-UHFFFAOYSA-N 411.354 4.566 0 40 HJAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)CC3CCCCC3)CC1)N2 19128596 FQMZDNMKERPVIF-ZWKOTPCHSA-N 412.500 4.688 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)c(-n3nc(C)cc3C)c2)cc1OC 19574624 BBXXMGSLFMNPAF-FQEVSTJZSA-N 423.488 4.623 0 40 HJAB COc1ccccc1-c1noc(C)c1C(=O)N1CCC[C@@H](COc2ccccc2F)C1 19579645 NJVROLOAQKZTNW-QGZVFWFLSA-N 424.472 4.729 0 40 HJAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccccc2)C1 19580158 GAGWUGZNOSMRJD-HHHXNRCGSA-N 412.533 4.517 0 40 HJAB COc1ccccc1OCc1cc([C@@H]2CCN(C/C(C)=C/c3ccccc3)C2)n[nH]1 19704717 ZYRDIXIJUGOKEU-CKNGIZQFSA-N 403.526 4.890 0 40 HJAB O=C(O)c1cc(NC(=S)NC(=O)c2cccc3ccccc23)c(Cl)cc1Cl 20152212 GXFQZQIUKDLWIS-UHFFFAOYSA-N 419.289 4.972 0 40 HJAB COc1ccc(-c2nsc(NC(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1 21175535 KHMNSZARJOLROI-UHFFFAOYSA-N 403.891 4.501 0 40 HJAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCc2ccccc21 21277926 NPVVUZXVZQXTFF-GOSISDBHSA-N 405.325 4.727 0 40 HJAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3cccc(Br)c3)n2)C1 22293792 DQKQNFJFJHXCPR-STQMWFEESA-N 408.365 4.636 0 40 HJAB NC(=O)c1ccc(CN(Cc2cc(-c3ccc(Cl)cc3Cl)no2)C2CC2)cc1 29718823 IFVLBPLCZJQFIZ-UHFFFAOYSA-N 416.308 4.912 0 40 HJAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c1 30943491 XZJBLIKRWFYBET-MRXNPFEDSA-N 420.340 4.803 0 40 HJAB COc1cc2sc(NC(=S)NC(=O)c3cccc(Cl)c3)nc2cc1Cl 32126618 WNIDSMSCTNBJFZ-UHFFFAOYSA-N 412.323 4.739 0 40 HJAB CC(=O)Nc1ccc(SCC(=O)NCc2cccc(Oc3ccccc3)c2)cc1 32362171 VSOXLSYDMCFCIW-UHFFFAOYSA-N 406.507 4.846 0 40 HJAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)N[C@H](C)c4ccccc4)cc3)n2)cc1 32578772 MHOGXRZTCQGAEJ-GOSISDBHSA-N 413.477 4.968 0 40 HJAB COc1ccc(-c2nc(NC(=O)Cc3cc(C(C)=O)ccc3OC)sc2C)cc1 32674708 RTKPEFYQHZSXGG-UHFFFAOYSA-N 410.495 4.520 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@@H]3CCCc4ccccc43)CCCC2)c1 32856034 XUQLWCKMXCQKKQ-OAQYLSRUSA-N 411.567 4.584 0 40 HJAB CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(=O)NC3CCCC3)c2c1 32985741 HMKCTSCJINQFJS-UHFFFAOYSA-N 418.493 4.516 0 40 HJAB O=C(COc1ccccc1Cc1ccccc1)NCC1(N2CCCCC2)CCCCC1 33687572 RYUOQFMQEKGTJA-UHFFFAOYSA-N 420.597 4.961 0 40 HJAB O=C(O[C@H](C(=O)NCc1ccc(F)cc1)c1ccc2ncccc2c1)c1cccs1 35291610 LFSDICXGSUYRJA-NRFANRHFSA-N 420.465 4.650 0 40 HJAB COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3Cc2ccccc2)cc1 36613330 NNXRNAAAZOVVPY-UHFFFAOYSA-N 412.493 4.926 0 40 HJAB CCCn1ncc2c(C(=O)NCc3csc(-c4ccccc4)n3)cc(C3CC3)nc21 36616862 CFXURSGCSRAPDI-UHFFFAOYSA-N 417.538 4.772 0 40 HJAB CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 40104459 BVKQYXGOGXDWJN-UHFFFAOYSA-N 413.861 4.728 0 40 HJAB O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCC[C@@H]1c1ccsc1 47580638 RVSGOHXXUCNAAO-LJQANCHMSA-N 413.930 4.981 0 40 HJAB COc1ccc(Nc2c(-c3nc(C4CC4)no3)cnc3nc(C)ccc23)cc1OC 49420757 BTLBAHCYUUACNP-UHFFFAOYSA-N 403.442 4.626 0 40 HJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2ccc(F)cc2F)c1 57338572 CMIFWZKOCHNCTA-INIZCTEOSA-N 423.463 4.815 0 40 HJAB CN(C(=O)c1cccc(NC(=O)NC[C@H](C2CCCCC2)N(C)C)c1)c1ccccc1 58145971 WUBNLTGSXGNYGE-HSZRJFAPSA-N 422.573 4.595 0 40 HJAB Sc1nnc(-c2nc(-c3ccccc3)oc2N2CCCCC2)n1-c1ccccc1 71195126 SVBQFDSKGBVQLZ-UHFFFAOYSA-N 403.511 4.868 0 40 HJAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN(Cc3ccncc3)C2)n1 72345949 VDTBMZDTUOATQE-KRWDZBQOSA-N 413.447 4.519 0 40 HJAB COC1CCN(c2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2)CC1 96104482 CPGURAZXTJAHQZ-UHFFFAOYSA-N 406.448 4.892 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)O)cc1C 98212004 RVZMZMRUQFDYJS-UHFFFAOYSA-N 401.509 4.555 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 102207129 SQRUYJZUZUJURP-VUHPKUFZSA-N 422.554 4.560 0 40 HJAB Cc1ccc(OCCCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 222698003 MAFXZKJGPLHZQB-NRFANRHFSA-N 424.585 4.794 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223195482 ARJZGFAAWCQVFJ-SFHVURJKSA-N 400.950 4.606 0 40 HJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCOc3cccc4ccccc34)cc2)C1 223547604 LBJYCKTZCYFQMP-HXUWFJFHSA-N 402.538 4.881 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)cc1 225165738 QBYXNYVENQPHAR-FQEVSTJZSA-N 424.560 4.933 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 225169805 FEQQIBKWZXJWEX-CVEARBPZSA-N 421.368 4.868 0 40 HJAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225615656 OZFHKIJNHJACKH-UHFFFAOYSA-N 404.595 4.967 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 225666840 PQWJTYSHAUGMHH-KKSFZXQISA-N 418.940 4.744 0 40 HJAB NC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226334066 JVVZGWSYTNZJRL-ZZXKWVIFSA-N 401.087 4.833 0 40 HJAB CCC(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(=O)NC(C)C)CC1 257238264 HKEWLFHKOSFQEM-UHFFFAOYSA-N 410.533 4.579 0 40 HJAB COc1ccc(Nc2cc(C)nc([C@H]3CCN(Cc4cccnc4N(C)C)C3)c2)cc1 257319431 VSNFKOHYEHFZON-IBGZPJMESA-N 417.557 4.593 0 40 HJAB COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 409063006 FIMVORGGDKACBE-UHFFFAOYSA-N 414.505 4.853 0 40 HJAB O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1nc(-c2ccccc2)cs1 409157787 WKZUYFBPNIKNEH-UHFFFAOYSA-N 424.507 4.547 0 40 HJAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(Br)cc3)n2C)cc1 409206720 WFLRFONIXAMKSL-VZCXRCSSSA-N 417.328 4.574 0 40 HJAB Cc1ccc(CN2C(=O)S/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)C2=O)cc1 409221433 QEZMPJKHLGMSOI-MOSHPQCFSA-N 418.474 4.720 0 40 HJAB CC(C)(C)OC(=O)CN1CCCCCCOc2ccccc2Oc2ncccc2C1 643574379 UAKVCLSIYNHULP-UHFFFAOYSA-N 412.530 4.970 0 40 HJAB O=C(Nc1nnc(CSCc2ccccc2)s1)c1ccc(Br)cc1 811258 SZEGPMRCPJMBKH-UHFFFAOYSA-N 420.357 4.986 0 40 HJAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)N1CCc2ccccc21 901709 KCCIDFDYLSAGFX-UHFFFAOYSA-N 421.469 4.905 0 40 HJAB COc1cc(OC)cc(-c2cc3nc4c(c(NCc5cccs5)n3n2)CCC4)c1 1332128 LWRGXXCOJCEGTN-UHFFFAOYSA-N 406.511 4.576 0 40 HJAB CCOc1ccc(CN2CCN(c3ncnc4sc5c(c34)C[C@@H](C)CC5)CC2)cc1 1472993 XRYZMMZKYNLGTF-KRWDZBQOSA-N 422.598 4.537 0 40 HJAB Cc1c(C)c2ccc(OC(=O)CCCCCNC(=O)OC(C)(C)C)c(C)c2oc1=O 2094647 MCTKNIPNEUYSNT-UHFFFAOYSA-N 417.502 4.709 0 40 HJAB biogenic Oc1cc2ccccc2cc1-c1nnc2c3cnn(-c4ccc(Cl)cc4)c3ncn12 2334169 SQVKXOFKISYZQT-UHFFFAOYSA-N 412.840 4.642 0 40 HJAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 3296040 LPKUVZSRLMPRJF-CYBMUJFWSA-N 415.950 4.557 0 40 HJAB CC(=O)c1cccc(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c1 3319172 FFLOBSNDKOBCOS-UHFFFAOYSA-N 405.834 4.692 0 40 HJAB COc1ccc(-n2c(SCC(=O)C(C)(C)C)nnc2-c2ccccc2OC)cc1 3325430 OKZAQOXZLQYANU-UHFFFAOYSA-N 411.527 4.659 0 40 HJAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 3636565 GQWPDVZXUMZGNF-HNAYVOBHSA-N 400.544 4.658 0 40 HJAB Cc1cc(C)cc(-n2ccnc(SCC(=O)Nc3c(C)cc(C)cc3C)c2=O)c1 4484249 PZYDVJCEPWFSGQ-UHFFFAOYSA-N 407.539 4.505 0 40 HJAB COc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2OC)c1 4672925 FFDHPEJZLBWLOA-IZHYLOQSSA-N 400.434 4.935 0 40 HJAB COc1cc(C(F)(F)F)ccc1C(=O)Nc1ccccc1C(=O)N1CCCC[C@@H]1C 4783881 NZDIHMFEOJAYGN-AWEZNQCLSA-N 420.431 4.981 0 40 HJAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)Nc3ccc4c(c3)CCC4)c(=O)c12 5138695 YYEUSXYUZWCVGR-UHFFFAOYSA-N 415.518 4.561 0 40 HJAB CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]2Cc3occc3[C@@H](C)[C@@H]12 5368606 ZRIFHZYKUAYXCS-DVDDSRLUSA-N 402.531 4.881 0 40 HJAB O=C(Cc1ccccc1)NCCc1nc2ccccc2n1Cc1ccccc1Cl 5545834 XOQLXXGGPPTHBZ-UHFFFAOYSA-N 403.913 4.639 0 40 HJAB O=C([C@H](Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1)N1CCCC1 5565471 JDQIPTNWIQCODW-GOSISDBHSA-N 410.568 4.797 0 40 HJAB CCCCn1nc(C(=O)Nc2ccc(C)cc2Br)c2ccccc2c1=O 6430000 WFDCYIHMVDXROP-UHFFFAOYSA-N 414.303 4.520 0 40 HJAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1 6623631 ZWKKKTKSCTWDGW-UHFFFAOYSA-N 404.492 4.550 0 40 HJAB CCCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 6864109 GTMYDZUJBGDQEU-UHFFFAOYSA-N 404.466 4.989 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2Cn2nc(C)n(-c3ccccc3)c2=S)c1 7316706 FTDZLPIAVBIEEC-FQEVSTJZSA-N 410.543 4.524 0 40 HJAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)c1 7882593 YXRNYVCZNPVKJH-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2nc3ccccc3s2)C1=O 8394022 RKNKKKFLLUSXLQ-SFHVURJKSA-N 406.294 4.570 0 40 HJAB CCc1ccc(Cc2cnc(NC(=O)c3cc(=O)c4cc(C)ccc4o3)s2)cc1 8843790 FOOOVJPBNMBZLW-UHFFFAOYSA-N 404.491 4.963 0 40 HJAB COc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1C 9614789 SCRQNXNHUPJZLT-UHFFFAOYSA-N 423.325 4.528 0 40 HJAB O=C(Nc1ccnn1Cc1ccncc1)c1cccnc1Sc1ccccc1Cl 9635542 SELWXDJSXFNKSD-UHFFFAOYSA-N 421.913 4.778 0 40 HJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc12 9716941 LTWQOJWQFJWECL-UHFFFAOYSA-N 424.504 4.628 0 40 HJAB C[C@H]1C[C@H](Sc2nnc(-c3c[nH]c4ccccc34)n2-c2ccc(Cl)cc2)C(=O)O1 9877914 ZYWNCXVJCDWOPZ-SGTLLEGYSA-N 424.913 4.865 0 40 HJAB COc1ccc(C(=O)N(C(=O)N2CCCCC2)c2cccc(Cl)c2)c(OC)c1 10254586 ULZAQBUIAZNNBX-UHFFFAOYSA-N 402.878 4.610 0 40 HJAB O=C(Nc1ccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)cc1)C1CC1 11181541 YDBGAOXNRSRBJF-UHFFFAOYSA-N 403.507 4.952 0 40 HJAB COc1cc2c(cc1NC(=O)CCc1nc(-c3ccncc3)no1)oc1ccccc12 11198479 CTHQUUQPRGAGKE-UHFFFAOYSA-N 414.421 4.611 0 40 HJAB Cc1ccc([C@@H](C)C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)cc1 12254236 NCPCMIXWAWDKQA-VGSWGCGISA-N 400.526 4.780 0 40 HJAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1Cc1ccc(F)cc1 12539688 JAQWBXRVEJPWKG-IBGZPJMESA-N 417.459 4.879 0 40 HJAB Cc1nc(COc2ccccc2/C=C/C(=O)Nc2nnc(C(C)C)s2)cs1 12787386 PEDKMOJHYGKKCS-CMDGGOBGSA-N 400.529 4.657 0 40 HJAB CC(=O)c1ccc(OC[C@@H](O)CSc2nc(-c3ccco3)nc3ccccc23)cc1 12852903 UXEYMZNIIXTMSP-QGZVFWFLSA-N 420.490 4.624 0 40 HJAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 12876471 UMOBKANSQRMBRX-LBPRGKRZSA-N 400.828 4.826 0 40 HJAB C[C@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1Br 12904639 SQQVTQFKHCJGCW-ZDUSSCGKSA-N 417.328 4.976 0 40 HJAB O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2)c1ccco1 13769713 ADNPCRIESJVMON-ZWKOTPCHSA-N 419.872 4.923 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCCC2)C1 19449129 GCJGRFIWOCDLOD-VWLOTQADSA-N 424.610 4.891 0 40 HJAB CCn1cnc2cc(NC(=O)c3cc(Cn4nc(C)cc4C)nc4ccccc34)ccc21 19578267 LAVRKGFQIBCUEJ-UHFFFAOYSA-N 424.508 4.718 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1Cl 20152334 NEHQVSDCXFJWKS-UHFFFAOYSA-N 414.914 4.836 0 40 HJAB Cc1cccc(C(=O)Nc2ccc(OCC(=O)O)c(-c3nc4ccccc4o3)c2)c1 20157909 BOGAUGHSAXRYSL-UHFFFAOYSA-N 402.406 4.519 0 40 HJAB CN(C(=O)CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)[C@@H]1CCCc2ccccc21 21956013 CNOHFSCUOGQFOH-RDPWEWGOSA-N 422.529 4.742 0 40 HJAB CN(C)c1ccc(CCC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1 21973593 SDEHGGXDKHORFF-IBGZPJMESA-N 409.555 4.507 0 40 HJAB CC[C@@H](C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22256847 MAQXMKGISCBQMQ-QGZVFWFLSA-N 413.543 4.849 0 40 HJAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(Cc2ccsc2)CC1 22784112 BBYHXFVRJYMNBW-IBGZPJMESA-N 405.567 4.560 0 40 HJAB CCc1nc2sc([C@H](c3ccc(C(F)(F)F)cc3)N3CCCCC3)c(O)n2n1 22853097 VJBPNYPKZVWOSQ-HNNXBMFYSA-N 410.465 4.653 0 40 HJAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCCSc3ccccc32)cc1 23228240 LHVBRTLJKNSVIP-INIZCTEOSA-N 400.569 4.584 0 40 HJAB Cc1ccc(Nc2ncnc3ccccc23)cc1S(=O)(=O)Nc1ccccc1F 24059026 YVYLLQPOFDMPFX-UHFFFAOYSA-N 408.458 4.622 0 40 HJAB COc1cc(CN(C)C(=O)[C@@H]2Cc3ccccc3S2)ccc1OCc1ccccc1 25281392 CRCOJIALECPBCV-DEOSSOPVSA-N 419.546 4.950 0 40 HJAB COC(=O)c1ccc(OCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)cc1 31677873 LDDFYOHUQLEKRX-UHFFFAOYSA-N 416.886 4.847 0 40 HJAB COc1ccccc1C(=O)Nc1nc(C)c(-c2nc(-c3ccc(F)cc3)no2)s1 31817097 VIUNZQUBWWFKAG-UHFFFAOYSA-N 410.430 4.569 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)Nc1nonc1-c1ccc2c(c1)CCCC2 32594069 JSYUTNQMIJTKPA-UHFFFAOYSA-N 418.280 4.940 0 40 HJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl 40005295 LXRIFSZLYGIDHV-LBPRGKRZSA-N 408.260 4.783 0 40 HJAB COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c(OC)c1 40128670 XQBJLHZCFSQELF-UHFFFAOYSA-N 408.502 4.642 0 40 HJAB CCSc1nnc(NC(=O)COc2ccc(C(C)C)cc2Br)s1 40992944 FXYJBVHLTJGJET-UHFFFAOYSA-N 416.366 4.554 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 44881004 JETDLOSDVCUCFG-IBGZPJMESA-N 422.550 4.904 0 40 HJAB COc1cccc2c(Nc3ccc(Cl)cc3)cc(C(=O)N3CCSCC3)nc12 49003016 AAMUYECNRGOXRH-UHFFFAOYSA-N 413.930 4.829 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2cccc(C)c2C)o1 59176101 QNCQOKCPHGCLMI-UHFFFAOYSA-N 417.918 4.958 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(OC)cc3)o2)cc1 63888411 AAWPAPKSGNIHTN-UHFFFAOYSA-N 422.481 4.878 0 40 HJAB O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)c(F)c1 67292938 IKMIOXXJPCHTGF-IAIVQWBNSA-N 418.827 4.506 0 40 HJAB CCN(CC)CCNC(=O)c1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)cc1 71761798 TXLVIMGFEIYGPT-UHFFFAOYSA-N 418.994 4.529 0 40 HJAB O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NCc1ccc(F)c(Cl)c1 79309041 FGWUAIJNFOVQDV-UHFFFAOYSA-N 410.198 4.665 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 95463154 CGQHCCSOVGURIS-RUZDIDTESA-N 422.488 4.928 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc3ncccc3c2)S1 96117642 FFMCXYCVKICOCE-APWZRJJASA-N 408.527 4.741 0 40 HJAB COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(C)c3C)n2)cc1F 98211428 GEYSGYYLPNWWKK-UHFFFAOYSA-N 420.444 4.608 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118916253 UWCHXMLXDXSLPL-MKKDHWQISA-N 418.647 4.647 0 40 HJAB CC[C@H](C(=O)Nc1cccc2ccccc12)N(c1cc(C)ccc1C)S(C)(=O)=O 220530988 LPMVLSIUVBJWIB-OAQYLSRUSA-N 410.539 4.640 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222846946 OYACCSDUVJZTPF-SFHVURJKSA-N 414.977 4.913 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 223009107 YJNRDFJFXWXBDG-DEOSSOPVSA-N 402.538 4.634 0 40 HJAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCOc1cccc2ccccc12 223540382 QUZXHDNCRJCECZ-UHFFFAOYSA-N 410.322 4.645 0 40 HJAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1 223885956 YEJXKVUISIFMGL-YADHBBJMSA-N 405.571 4.707 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 224669725 OHXFGIHLQXPFEA-FQEVSTJZSA-N 412.599 4.729 0 40 HJAB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)CCCC2 224984970 WDGPOIXYAXSPDP-INIZCTEOSA-N 401.572 4.911 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 225080874 HBOUZLWHAVHVHF-RTWAWAEBSA-N 424.585 4.829 0 40 HJAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)N[C@@H](C)CC)cc1 225450340 VAUASSKOZWQDQB-SFTDATJTSA-N 408.586 4.556 0 40 HJAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1)Nc1ccc(Cl)cc1 253565221 HLJFVVURNWJYQK-UHFFFAOYSA-N 402.951 4.657 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 408627229 LLJJFQLJJQCSFM-UHFFFAOYSA-N 402.479 4.579 0 40 HJAB Cc1ccc2nc(C(=O)N3CCC[C@H](NC(=O)c4ccc5ccccc5c4)C3)ccc2c1 551552197 HEULOSMJGVIVHF-QHCPKHFHSA-N 423.516 4.731 0 40 HJAB Cc1cc(N2CCN(c3ccccc3)CC2)n2nc(-c3cccc(Cl)c3)c(C)c2n1 2033970129 ACOSKIRSITWZAX-UHFFFAOYSA-N 417.944 4.993 0 40 HJAB Cc1cc(OC[C@]2(O)CCCN(C(=O)c3cc(F)cc(F)c3)CC2)cc(C)c1Cl 2037912253 IQIBWHOCHOLLGR-QFIPXVFZSA-N 423.887 4.671 0 40 HJAB O=C(NCc1ccc(F)cc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 646971 YGDSZUWISHOKMD-FUHWJXTLSA-N 418.394 4.613 0 40 HJAB CC[C@@H]1CCc2c(sc(NC(=O)COc3ccc4ccccc4c3)c2C(N)=O)C1 689061 JQDYCHHMIVOYBB-CQSZACIVSA-N 408.523 4.533 0 40 HJAB O=C(N[C@H](Nc1ccccc1C(F)(F)F)C(Cl)(Cl)Cl)c1ccco1 726088 HVGYSEPCRFXXGF-LBPRGKRZSA-N 401.599 4.837 0 40 HJAB O=C(/C=C/c1ccccc1)NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1 941195 WVRGLWKKAMLWRD-IZZDOVSWSA-N 416.713 4.548 0 40 HJAB C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccccc1F 1017021 KICCENITUMSFMA-VIFPVBQESA-N 417.072 4.757 0 40 HJAB CC(C)n1cc(C(=O)N(C2CCCC2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cn1 1346291 LLXZNWIQKXEJHC-HSZRJFAPSA-N 422.573 4.649 0 40 HJAB CCOC(=O)C1=CN(c2ccc(C)cc2)C=C(C(=O)OCC)C1c1ccc(OC)cc1 1438158 CFMPFZJISZZWDF-UHFFFAOYSA-N 421.493 4.501 0 40 HJAB Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1Cc1ccc(Cl)cc1 2246663 BYDUFSFURSHZOJ-UHFFFAOYSA-N 419.916 4.541 0 40 HJAB Cn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccc(Cl)nc1 2565154 QEINSJYNUDXFFS-UHFFFAOYSA-N 415.950 4.559 0 40 HJAB Cc1ccc(NC(=O)C[C@H](C(=O)Nc2ccccc2)C(=O)c2ccccc2)cc1C 3327241 AJUQGENVBXWBCS-QFIPXVFZSA-N 400.478 4.770 0 40 HJAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@](OC(C)=O)(C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 3849786 SBWDYFUYGAMEGM-UZZVPUAOSA-N 418.574 4.852 0 40 HJAB biogenic CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)c3ccco3)cc2c1 4230987 VXILFYJHVBZKGF-UHFFFAOYSA-N 416.477 4.535 0 40 HJAB Cc1ccccc1CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12 4507858 XQMLHUGQAUAQJV-UHFFFAOYSA-N 412.518 4.693 0 40 HJAB COc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1Cl 5015829 LASVLQTZOHZEGM-UHFFFAOYSA-N 404.875 4.742 0 40 HJAB CCOCCOC(=O)[C@H](C)Oc1ccc(Oc2nc(Cl)ccc2Cl)cc1 5506493 PCKCITKNINPHLL-LBPRGKRZSA-N 400.258 4.528 0 40 HJAB CCOc1ccc(/C=C2\CN(CC)Cc3c2nc2ccccc2c3C(=O)O)cc1OC 6429636 DAHMRJQFFHIZQV-SFQUDFHCSA-N 418.493 4.716 0 40 HJAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1F 6452561 OHGRMNLNCIQJMP-UHFFFAOYSA-N 411.289 4.659 0 40 HJAB COc1ccc(-c2coc3cc4oc(=O)c(CCC(=O)O)c(C)c4cc23)cc1OC 6624124 NTXRVRIOJNDZOD-UHFFFAOYSA-N 408.406 4.549 0 40 HJAB biogenic CCOc1ccc(-c2nc(-c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)cs2)cc1 7274323 KBMKORBTILCOCU-CQSZACIVSA-N 414.552 4.586 0 40 HJAB Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2ccc3c(c2)OCCCO3)n1 7988266 MYXZWNZLDLGSAE-UHFFFAOYSA-N 421.522 4.799 0 40 HJAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1c(F)cccc1F 8255884 CXKAVACCXBMEBM-SNVBAGLBSA-N 406.483 4.739 0 40 HJAB O=C1CS[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)N1c1ccc(Cl)cc1 8583776 WETPEYNHAFWCBO-HSZRJFAPSA-N 420.921 4.820 0 40 HJAB O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)no1 8672102 LQJKYLSHHLNEMI-OAHLLOKOSA-N 424.309 4.569 0 40 HJAB CCC(=O)N(c1nnc(SCCOc2ccc(Cl)cc2Cl)s1)C1CC1 9336064 UQWNROVNOFKVBI-UHFFFAOYSA-N 418.371 4.921 0 40 HJAB CC(C)[C@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cc1F)c1ccc2c(c1)OCCO2 11093825 DFYGRVXFOKNUMH-RBZFPXEDSA-N 406.885 4.564 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2cc(Cl)ccc2C)cc1 11612762 ZNQRGOUBIDHIQK-SFHVURJKSA-N 420.962 4.529 0 40 HJAB COC(=O)Cc1c(C)c2ccc(OCc3c(C)c(C)cc(C)c3C)c(C)c2oc1=O 11866768 HKRKSTYCLGZLQV-UHFFFAOYSA-N 408.494 4.938 0 40 HJAB CC(C)(C)c1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(C(C)(C)C)c1O 12381544 UEXSGSCQCZPCNQ-UYRXBGFRSA-N 406.551 4.758 0 40 HJAB Cc1ccc(CSCCNC(=O)c2ccccc2N(C)C(=O)c2cccs2)cc1 12771261 SUFLXAJNUWVCJQ-UHFFFAOYSA-N 424.591 4.996 0 40 HJAB O=C(c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)N1CCc2ccccc2C1 12914540 HCHPUWWLRADSRW-UHFFFAOYSA-N 405.807 4.743 0 40 HJAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc(Br)ccc1Cl 12934944 MCSRUVPINCFPGW-LBPRGKRZSA-N 419.710 4.516 0 40 HJAB Cc1cc(C2=NN=C(Nc3ccccc3Cl)SC2)c(C)n1C[C@@H]1CCCO1 13063233 DGEJZIADVYHFLB-HNNXBMFYSA-N 402.951 4.856 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1C(C)C 13995605 KQOIYAWMGROQHR-UHFFFAOYSA-N 406.861 4.824 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)/C=C/c1cccc2cccnc12 14812739 XLORHPHDWDLNDJ-BOLDSZDNSA-N 424.884 4.789 0 40 HJAB O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1cccc(C(F)(F)F)c1 15049576 GKXJCZDJAYOWRQ-NVNXTCNLSA-N 424.375 4.520 0 40 HJAB Cc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N1CCCCC1 15833305 CSLVAFKDOOBVBR-UHFFFAOYSA-N 409.555 4.528 0 40 HJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(CN2CCOCC2)cc1 18081424 RJLZWHYLPDYRJI-UHFFFAOYSA-N 422.447 4.579 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc(N2CCCC2=O)c1 18084804 ZFGIIFMMFJTWLZ-UHFFFAOYSA-N 417.431 4.685 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C[C@H]3C=CCC3)CC1)N2 19084125 ZFSATGVNDNULNB-RYQLBKOJSA-N 420.548 4.766 0 40 HJAB CCCC(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3nc(C(C)(C)C)cc3N2)CC1 19501137 ILVKCAXKJJANQG-GOEBONIOSA-N 400.489 4.507 0 40 HJAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1 20739072 VZXLVFNONDQUGI-HXUWFJFHSA-N 418.324 4.731 0 40 HJAB CC(=O)N1CCc2cc(NC(=O)/C=C/c3ccc(Cl)c(C(F)(F)F)c3)ccc21 21897472 VOXGZCCXWSKGCI-XVNBXDOJSA-N 408.807 4.920 0 40 HJAB CN(CC(=O)Nc1ccc(Br)cc1Cl)Cc1ccc(Cl)s1 22062441 HFZKBLXMGKHLLG-UHFFFAOYSA-N 408.148 4.888 0 40 HJAB CCCCn1c(SCc2nc(CC(C)C)no2)nc2sc(C)c(C)c2c1=O 25057762 VNLCUYBWHNZRSO-UHFFFAOYSA-N 406.577 4.749 0 40 HJAB O=C(CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1 25435751 LFMSSTVEKIGANK-UHFFFAOYSA-N 418.562 4.645 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)cc1C 26089614 PSVLINMOJFPNBX-UHFFFAOYSA-N 421.547 4.795 0 40 HJAB Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 26562902 DADNBJVTRCSFHO-UHFFFAOYSA-N 403.960 4.796 0 40 HJAB O=C(N/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)N1CCCC1)c1ccccc1 27025146 WRLLBQQNBXNLMG-PGMHBOJBSA-N 420.896 4.993 0 40 HJAB CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 30011884 DEMYKLGWLYQCCH-UHFFFAOYSA-N 416.499 4.601 0 40 HJAB C[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(Br)c1 32803393 DSVXYVLSENRISF-CQSZACIVSA-N 422.754 4.695 0 40 HJAB CN(C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)[C@@H]1CCCc2ccccc21 32909375 UPQKDBHGMJOUAQ-XMMPIXPASA-N 424.500 4.632 0 40 HJAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)N2CCC[C@@H]3CCCC[C@H]32)o1 36416356 WIQDWFXQZDPGIF-RLFYNMQTSA-N 419.522 4.622 0 40 HJAB Cn1ccnc1[C@H](NC(=O)CCOc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 40131753 RLPLPIILSFQCKX-LJQANCHMSA-N 422.287 4.541 0 40 HJAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@@H]2C(=O)Nc1ccccc1Cl 44901316 QBVNACJJJPZSLA-QGZVFWFLSA-N 410.861 4.521 0 40 HJAB Cc1ncc(CN(C)C(=O)COc2cc3sc(C)nc3c3sccc23)s1 46775457 ZGTNGQQCDUMJPX-UHFFFAOYSA-N 403.554 4.622 0 40 HJAB Cc1ccc(OCCC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c(C)c1 48299974 MQCUAOYLEVMHRI-QFIPXVFZSA-N 403.526 4.511 0 40 HJAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12 59500386 UBGFDMPNBIZBBN-PGAZUGQPSA-N 409.485 4.656 0 40 HJAB biogenic COc1ccc(Cn2c(SCc3cccc(OC)c3)nc3ccsc3c2=O)cc1 71327624 MZTQDMBTMADNLG-UHFFFAOYSA-N 424.547 4.816 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(OCc3ccccc3)nc2)cc1 72212058 NTBHAWHKAHUURV-QHCPKHFHSA-N 422.550 4.885 0 40 HJAB O=c1c(-c2nc(-c3ccsc3)no2)cccn1Cc1ccc(OC(F)(F)F)cc1 77100858 SRBPMKJMAYRMJL-UHFFFAOYSA-N 419.384 4.574 0 40 HJAB O=C(NCC1(Sc2ccccc2)CCOCC1)c1ccccc1Br 96331100 TTZHKFDLYOIGHA-UHFFFAOYSA-N 406.345 4.520 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)c3cc(C(C)C)on3)CC2)on1 100743704 PSGLSLBEQBCLNJ-CALCHBBNSA-N 423.517 4.564 0 40 HJAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 113938348 ZFCCHSGKERCBTJ-IBGZPJMESA-N 422.550 4.620 0 40 HJAB CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118924509 AELZDZIWKOZSSW-YVDGILBISA-N 418.574 4.709 0 40 HJAB Cc1nnc(S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)O)o1 211526309 UTQDOVZNDJBZMM-ZSOIEALJSA-N 407.245 4.618 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCSc1ccccc1 223089104 WSUIMXCQNSUMFZ-QZTJIDSGSA-N 416.562 4.640 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 223267283 PLLVGUTVGATOGY-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB CC1CCN(Cc2ccc(C(=O)NCCOc3ccc4ccccc4c3)cc2)CC1 223618783 SAHFQYJBSDEUCW-UHFFFAOYSA-N 402.538 4.881 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NCC(C)C)cc1 224548183 HSBSDQGJMADIGS-DEOSSOPVSA-N 408.586 4.761 0 40 HJAB Cc1ccc(SCCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)cc1 224646627 JZYPJQZVJQGDHV-GOSISDBHSA-N 416.562 4.558 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 224777886 IUEGSNQTWJJFTM-KRWDZBQOSA-N 418.990 4.517 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224842288 YRNUGHPVLBKYDF-LJQANCHMSA-N 410.533 4.543 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 225153954 HGOHJCIHXTWPLR-HZPDHXFCSA-N 421.368 4.868 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(C)c(-c3ccc(C(=O)O)o3)c2)cc1 226355557 VKFVCTGZAYLXIL-UHFFFAOYSA-N 408.479 4.642 0 40 HJAB CCn1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)c(C)n1 253508424 KQSUPNWTORYXDA-BSNSQKCOSA-N 412.618 4.969 0 40 HJAB CO[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2)cn1)c1ccccc1Cl 1127012205 NKSZORVVBDQUFU-HXUWFJFHSA-N 400.837 4.784 0 40 HJAB CCO[C@H](CCNC(=O)NCCOc1ccc(Cl)c(Cl)c1)C1CCCC1 1632728141 QAVQPOKWRHLJLC-GOSISDBHSA-N 403.350 4.657 0 40 HJAB O=C(O)COc1ccc(CN2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)cc1 1848353341 SUIIHOHYTYWHHQ-QFIPXVFZSA-N 424.472 4.595 0 40 HJAB O=C(COc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 677432 UVVUHIUGZZMVBS-UHFFFAOYSA-N 413.264 4.745 0 40 HJAB O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@H](c2c[nH]c3ccccc23)O1 709999 ZFGQRFFERSTKPE-CPJSRVTESA-N 414.461 4.718 0 40 HJAB COc1cccc(/C=C2\N=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)c1 1092299 FQTPXZXJZXXHAM-STZFKDTASA-N 404.853 4.889 0 40 HJAB CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1C[C@H](C)C[C@@H](C)C1 1341094 HPABXDXENIHBIZ-HZPDHXFCSA-N 408.546 4.767 0 40 HJAB CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1 2434095 NUZUUIJWCULDDR-HXUWFJFHSA-N 411.885 4.807 0 40 HJAB CC(=O)c1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 3265082 GRNGLZIQTVKEBS-SDNWHVSQSA-N 408.461 4.789 0 40 HJAB O=C(/C=C/c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)Nc1ccc(O)cc1 3311133 SMGJFFYOGJKQRB-VSRBDQBUSA-N 405.294 4.916 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-n2cccc2)c(C)c1 4518670 HRRBXOOAXBJEBD-UHFFFAOYSA-N 409.559 4.786 0 40 HJAB COc1ccc([C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CCCC2)cc1 6113786 UFKISMZMGJGAAP-RUZDIDTESA-N 414.549 4.780 0 40 HJAB biogenic COC[C@@H](C)n1c(C)cc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1C 6549568 CWNUXJZWVOPMRF-MRXNPFEDSA-N 424.570 4.745 0 40 HJAB Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1C 6649139 QIOFLILJKKJYLG-UHFFFAOYSA-N 413.477 4.746 0 40 HJAB CCCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)c1 6752951 SVWWKCVCOSUMJC-QHCPKHFHSA-N 405.498 4.916 0 40 HJAB C[C@H]1CCc2sc(-c3nnc(SCC(=O)N4CCc5ccccc54)o3)cc2C1 7131443 NXTFTRIJTOXFKS-ZDUSSCGKSA-N 411.552 4.604 0 40 HJAB COc1ccc(CCN(C)C(=O)c2ccc(C3SCCCS3)cc2)cc1OC 7278546 YWPXKXRGVMTFJS-UHFFFAOYSA-N 417.596 4.887 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 7389675 BNZYBDXJEZMYJS-UHFFFAOYSA-N 407.857 4.547 0 40 HJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(Br)cc2)CC1=O 7929329 MCIDTAIZIRTCGP-MRXNPFEDSA-N 416.315 4.532 0 40 HJAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccccc2OC)n1CC)c1ccccc1 8185572 CJGJCWZJPWVVGF-HXUWFJFHSA-N 424.570 4.675 0 40 HJAB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3C)SC2=S)c(Cl)c1 8369837 UBUKKMAXILWZSF-MHWRWJLKSA-N 402.928 4.503 0 40 HJAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(Cl)c3C)C(=O)[C@@H]2C1 8473204 GFCAXBPYUCERHJ-NVXWUHKLSA-N 408.885 4.746 0 40 HJAB Cc1nnc(SCC(=O)Nc2nc3ccc(F)cc3s2)n1C1CCCCC1 8705173 XHODMELFANTGQA-UHFFFAOYSA-N 405.524 4.571 0 40 HJAB COC[C@@H](C)n1c(SCc2cc(-c3cccs3)on2)nc2ccccc2c1=O 8761875 NNZHKUSSMLICBL-CYBMUJFWSA-N 413.524 4.613 0 40 HJAB Cc1cccn2c(=O)cc(CSc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)nc12 8966024 QVPRCAHMAZKBHT-LBPRGKRZSA-N 424.551 4.532 0 40 HJAB Nn1c(SCc2cccc3ccccc23)nnc1-c1cc(-c2ccc(F)cc2)n[nH]1 9015489 DKNCFYZQXLITPU-UHFFFAOYSA-N 416.485 4.634 0 40 HJAB COc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccc(C)cc2)cc1 10060276 BFNOXHJECMWYKS-DNQXCXABSA-N 424.504 4.976 0 40 HJAB CSc1ccc(C(=O)Nc2nc(-c3ccc([C@@H](C)NC(C)=O)cc3)cs2)cc1 12047662 VARZEUFJBBFYLD-CYBMUJFWSA-N 411.552 4.981 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc4c(c3)OCCCO4)cc12 12567666 NWUGLZSBBNILPH-UHFFFAOYSA-N 423.469 4.948 0 40 HJAB Nc1nc2n(n1)[C@@H](c1cccc3ccccc13)C[C@H](c1ccc(Br)cc1)N2 12630319 YMMNVLNFTFHQPV-RTBURBONSA-N 420.314 4.922 0 40 HJAB Cc1ccc(-c2nc(C(=O)N3CCCN(C)c4nc5ccccc5nc43)cs2)cc1 12784266 RFYBSPFLIJJQMG-UHFFFAOYSA-N 415.522 4.548 0 40 HJAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cncc(Br)c1 12824848 ORHKYJMADQECFN-UHFFFAOYSA-N 408.708 4.797 0 40 HJAB CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714657 FIJIQRPHKDCLRF-IBGZPJMESA-N 408.951 4.647 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2C)cc1 14082992 SBQUGAVWWWJDDV-UHFFFAOYSA-N 423.325 4.528 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl 14155039 RFKAZMGZQPVYPQ-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)c1 17082444 QQTPJRLEXFTWNF-UHFFFAOYSA-N 402.479 4.633 0 40 HJAB O=C(CCc1ccccc1F)N[C@H]1CCCc2c1cnn2Cc1ccccc1Cl 19348655 ZZVVUHAIUJUDCJ-NRFANRHFSA-N 411.908 4.850 0 40 HJAB COCCn1cnc2cc(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)ccc21 19555602 RQZDHXMGTOKBJS-UHFFFAOYSA-N 410.474 4.506 0 40 HJAB Cc1nc(-c2cccnc2)sc1C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 19561080 PZPDVXLZHDMHTG-INIZCTEOSA-N 411.502 4.584 0 40 HJAB COc1ccc(CN(C)C(=O)CSCc2c(Cl)cccc2Cl)cc1OC 20046538 BGMURRSZDJCECV-UHFFFAOYSA-N 414.354 4.902 0 40 HJAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccco4)c3[C@@H]2c2ccccc2)cc1 20855100 LUIPEJDHEPNGQM-QFIPXVFZSA-N 413.433 4.596 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1 22901897 ZXGLGALVKSYVAC-UHFFFAOYSA-N 421.497 4.651 0 40 HJAB CCOc1ccc(C2=Nn3c(COc4ccc(C(C)(C)C)cc4)nnc3SC2)cc1 27028876 KMHGGVNETUJSJR-UHFFFAOYSA-N 422.554 4.911 0 40 HJAB COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 28781569 YZVDYYSMGYUFKO-UHFFFAOYSA-N 409.385 4.706 0 40 HJAB C[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 30229719 YLHVXQXUHYEQNA-ZHRRBRCNSA-N 421.928 4.984 0 40 HJAB COc1cccc(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)c1 32578569 AFYLIOJFUXTCGP-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C 32752713 ORWZSEFNLMGTAT-UHFFFAOYSA-N 409.511 4.577 0 40 HJAB O=C(C[S@](=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCc1ccc(F)cc1 32801035 UYZGGJSJAMDCIY-RBISFHTESA-N 415.917 4.634 0 40 HJAB Cc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3F)n2)cc1 33324968 HIVROYHPCFTWCU-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB Oc1cc(-c2ccccc2)nc(SCc2nc(-c3ccc(Cl)c(F)c3)no2)n1 38654270 FQXDOCQIJXOHDQ-UHFFFAOYSA-N 414.849 4.984 0 40 HJAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 38857661 QXCNGPVVSYFIIF-INIZCTEOSA-N 420.340 4.803 0 40 HJAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2ncc3ccccc3c2=O)cc1 40059820 RGPDSBMMHXFWKL-UHFFFAOYSA-N 419.868 4.789 0 40 HJAB O=C(c1ccccc1F)N1CCC(Nc2ncc(C(F)(F)F)cc2Cl)CC1 52243700 ZXGTWKOMZCHZCH-UHFFFAOYSA-N 401.791 4.610 0 40 HJAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c(Cl)c1 67293386 TXCOWHZIDAYSLU-LVWGJNHUSA-N 405.841 4.980 0 40 HJAB C[C@@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 68713106 VJZUDPDBUWZMHP-FYSMJZIKSA-N 405.881 4.593 0 40 HJAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC[C@H]2CCCC[C@@H]21 71794061 QYUCAMBOGOAFBE-PBHICJAKSA-N 407.436 4.695 0 40 HJAB COc1ccc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)CCOc2ccccc2)cc1 72356348 WNGWAEBDVACSRW-QFIPXVFZSA-N 405.498 4.608 0 40 HJAB O=C(CCc1ccccc1)N1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 72371265 CHRRJYRDPPCKCF-IBGZPJMESA-N 423.944 4.633 0 40 HJAB Cc1ccc(OCc2nc3ccccc3n2C[C@H](O)COc2cc(C)cc(C)c2)cc1 82086797 GNRJFGXNPBDUNE-NRFANRHFSA-N 416.521 4.980 0 40 HJAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@@H]4CC(C)C)cc1 85878108 NWVAKDLHHSYVNU-HNNXBMFYSA-N 408.450 4.916 0 40 HJAB biogenic CN=[S@](=O)(OCCCCO[S@@](=O)(=NC)c1ccc(C)cc1)c1ccc(C)cc1 103971964 RJQCIWWTUUTPJA-VSGBNLITSA-N 424.588 4.560 0 40 HJAB Cc1cccc2c(C(=O)N[C@@H](C)CCN3CCCCCC3)cc(-c3ccccn3)nc12 141551752 HHQMVRKQUVHWBE-FQEVSTJZSA-N 416.569 4.990 0 40 HJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 222863692 ISUDVXBFVMPYIU-VQTJNVASSA-N 419.579 4.865 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 223277701 ZQMJUIOHHJVBOM-KRWDZBQOSA-N 418.940 4.745 0 40 HJAB O=C(NCCOc1cccc2ccccc12)C1CCN(Cc2cccc(Cl)c2)CC1 223555035 CSTDJKSCTGLZMY-UHFFFAOYSA-N 422.956 4.900 0 40 HJAB CCCC[C@@H](CC)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 223934050 AFJJLXUTZHUAGA-GOSISDBHSA-N 402.560 4.742 0 40 HJAB O=C(NCCCc1ccccc1Cl)/C(=C/c1cccs1)NC(=O)c1ccccc1 224596074 OJCBGNAISVYRCF-PGMHBOJBSA-N 424.953 4.921 0 40 HJAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c(C)c1 224675932 GKFAANFLRPDXEN-OAQYLSRUSA-N 422.569 4.548 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 225573023 RTAWFQHPZIMBHM-AVRDEDQJSA-N 414.977 4.913 0 40 HJAB O=C(NC1CCCCCC1)c1nc([C@H]2CCCN2Cc2ccccn2)n2ccccc12 306141406 VUSNJGISLIYFSQ-JOCHJYFZSA-N 417.557 4.519 0 40 HJAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 408563176 KACOEBWXEPXKOB-XMHGGMMESA-N 417.461 4.670 0 40 HJAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 408583334 HOJZZXBUHOZXMX-UHFFFAOYSA-N 416.330 4.572 0 40 HJAB COc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 409380339 DFLHWMLROYBVDW-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CCOP(=O)(OCC)c1nc(-c2cccnc2)oc1NCc1ccc(C)cc1 585152247 GKVIYCBSSFFYMR-UHFFFAOYSA-N 401.403 4.549 0 40 HJAB CCCCCC(=O)N1CCCCN(C)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21 643562341 PUQZQHFRXQGEIZ-IRLDBZIGSA-N 400.563 4.651 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)OC(C)C)n2-c2cccc(Cl)c2)c1 877942 CZZACCIRDMMVJQ-UHFFFAOYSA-N 401.919 4.940 0 40 HJAB Nc1c(C(=O)c2ccc(Br)s2)oc2ccc(Br)cc12 1103286 GHRSVCFKJPSYPX-UHFFFAOYSA-N 401.079 4.833 0 40 HJAB COc1cccc(NC(=S)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c1 1327068 SIDZTDUDUFGWER-UHFFFAOYSA-N 400.935 4.801 0 40 HJAB O=C(Nc1ccccc1Cl)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 1359879 PHQOGCPHMOVWOB-CQSZACIVSA-N 400.841 4.941 0 40 HJAB CCOC(=O)c1oc2cc(OC(=O)CC)ccc2c(=O)c1-c1nc2ccccc2s1 1463814 MELHIKWVYKUMOR-UHFFFAOYSA-N 423.446 4.562 0 40 HJAB biogenic Cc1cccc(NC(=O)c2c(N)n(CCc3ccccc3)c3nc4ccccc4nc23)c1 2256873 BAQNXSLKTQZGPE-UHFFFAOYSA-N 421.504 4.970 0 40 HJAB COCCNC(=S)N(CCc1c(C)[nH]c2ccc(C)cc12)Cc1ccc(C)cc1 2722380 YGXGOSGMTFSLRP-UHFFFAOYSA-N 409.599 4.659 0 40 HJAB Cc1cc(C(=O)COC(=O)Cc2ccc(Cl)cc2)c(C)n1Cc1cccs1 3296175 MRNCPKAKPVXXQE-UHFFFAOYSA-N 401.915 4.837 0 40 HJAB COC(=O)c1c(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)sc(C)c1C 3680492 QBSWQLWTGFXFTF-UHFFFAOYSA-N 403.891 4.551 0 40 HJAB COc1ccccc1N1CCN(c2nc(-c3ccccc3F)nc3ccccc23)CC1 4535866 IDIUDQDPICGDAP-UHFFFAOYSA-N 414.484 4.771 0 40 HJAB CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccco3)C[C@H]21 4715670 ZELCQWUTVKXZPG-HOYKHHGWSA-N 420.465 4.938 0 40 HJAB Cc1ccc(S(=O)(=O)c2nc(/C=C/c3ccccc3)oc2N2CCCCC2)cc1 5342180 OKWGVSYVPMFIJR-NTCAYCPXSA-N 408.523 4.977 0 40 HJAB COCCNc1nnc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)s1 6424692 OEIIERZQLOSACK-UHFFFAOYSA-N 408.593 4.574 0 40 HJAB CCc1ccc(NC(=O)[C@H](C)Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)cc1 6463742 FYIDWCDVMBQWIV-LBPRGKRZSA-N 416.934 4.815 0 40 HJAB COc1ccc(-c2nc(NC(=O)c3ccc4nc(C)c(C)nc4c3)sc2C)cc1 8061395 UUMYUTOJBYUZBH-UHFFFAOYSA-N 404.495 4.939 0 40 HJAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@@H]1CCSc2ccccc21 8132047 VQKWVNCCCAHKFU-OAHLLOKOSA-N 406.536 4.513 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)c2cccc(CN3CCCC3=O)c2)cc1 8343125 ULZDBYASXOAGDD-HSZRJFAPSA-N 406.526 4.575 0 40 HJAB COc1ccc(N(CC(=O)Nc2c(C)cccc2C)c2n[nH]c(=S)s2)cc1 8415260 QSMXPGLITQSWIS-UHFFFAOYSA-N 400.529 4.603 0 40 HJAB CCOc1ccc(C2=NNC(c3cccs3)=Nc3ccc(OC)cc32)cc1OCC 8678167 UZLVZJKIIGTUBX-UHFFFAOYSA-N 421.522 4.988 0 40 HJAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1 9614683 FKCQZCDLUPYSRI-UHFFFAOYSA-N 402.494 4.539 0 40 HJAB Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)c3c[nH]c4ccccc34)c2Cl)cc1 9811722 REKACTNEDCPWMF-UHFFFAOYSA-N 421.884 4.723 0 40 HJAB CN(c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1)S(=O)(=O)c1cccs1 10009627 HFZKZNKXZSCRFY-UHFFFAOYSA-N 424.906 4.618 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccccc1)N(c1nccs1)C3=O 10233028 VPWLOMPJJXECBW-KRWDZBQOSA-N 408.866 4.961 0 40 HJAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1 10972134 YMGZAWIRRDIBFA-UHFFFAOYSA-N 410.514 4.889 0 40 HJAB COc1cc(C)c(NC(=O)c2c(C)nc(-c3cccs3)nc2SC)cc1OC 12735734 NWCYOPOEQFPQNR-UHFFFAOYSA-N 415.540 4.813 0 40 HJAB COc1ccc(CN2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 12928170 XCGFANOARHMALN-UHFFFAOYSA-N 400.522 4.710 0 40 HJAB C[C@H]1CCc2ccccc2N1C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 12991068 BVQWFCASCIRKEF-IBGZPJMESA-N 408.505 4.975 0 40 HJAB O=C(Nc1c(F)cccc1F)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 14410910 XASRNTYVVVXVRU-HSZRJFAPSA-N 424.472 4.991 0 40 HJAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)o2)cc1Cl 16346700 GUAZNRVTZXOWHN-JXMROGBWSA-N 420.852 4.786 0 40 HJAB O=C(NCCc1cn(C(=O)Nc2cccc(Cl)c2)cn1)Nc1cccc(Cl)c1 16398983 NNWUGOAZMBJYDY-UHFFFAOYSA-N 418.284 4.634 0 40 HJAB O=C(COc1ccc2ccccc2c1)Nc1ccc(I)cc1F 17092563 ROWWGKZSGYGUOH-UHFFFAOYSA-N 421.209 4.601 0 40 HJAB O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 17093729 NNAWKPDFWWKPCA-UHFFFAOYSA-N 423.925 4.648 0 40 HJAB O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 19370363 UHYBRQGQKUFNGG-BKMJKUGQSA-N 417.528 4.533 0 40 HJAB CN(C)c1ncc(-c2cccc(Cl)c2)c(C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)n1 19695235 AYDUOIKTPUGIFB-QGZVFWFLSA-N 424.976 4.925 0 40 HJAB CCSc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 20111757 GDTJUMXUKBNUKJ-UHFFFAOYSA-N 418.584 4.534 0 40 HJAB COc1ccc(CCN2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 20411928 HDJRQHMRYNEIQM-UHFFFAOYSA-N 413.473 4.863 0 40 HJAB biogenic COc1ccc(-c2noc(COC(=O)c3cc(Br)ccc3Cl)n2)cc1 21168442 ZOSDDSYNLOKAFM-UHFFFAOYSA-N 423.650 4.518 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)sc3n2)cc1 21535929 UPGWUYJEBMHFCS-UHFFFAOYSA-N 421.547 4.917 0 40 HJAB CCN(CC)c1ccc(-c2nnc(SCCC(=O)Nc3ccccc3F)o2)cc1 24833511 HYFCJBJILZTUJO-UHFFFAOYSA-N 414.506 4.843 0 40 HJAB Cc1cc(C)n(-c2ccccc2NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)n1 25014152 RXXAWZVXPMGDCM-UHFFFAOYSA-N 413.437 4.846 0 40 HJAB CCn1c(SCc2ccc(OC)cc2)nnc(Nc2ccc(C(C)C)cc2)c1=O 28537505 UAIAUYRHSGPJLW-UHFFFAOYSA-N 410.543 4.826 0 40 HJAB C[C@@H](C(=O)Nc1ccccc1OC(F)F)N(C)Cc1ccccc1N1CCCCC1 29155373 KZLWSCOVSGZYME-KRWDZBQOSA-N 417.500 4.737 0 40 HJAB Cc1ccc(CNC(=O)c2nnc(CN(C)Cc3ccc(C(C)(C)C)cc3)s2)cc1 29939504 KCNDUNQZDJDDTQ-UHFFFAOYSA-N 422.598 4.706 0 40 HJAB CC(C)OCc1ccccc1CNC(=O)C1(c2ccc(Br)cc2)CC1 31342188 ZJYKAKCTXZRVTK-UHFFFAOYSA-N 402.332 4.722 0 40 HJAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)cc1OC 32115185 MIRYLNRRWZBPGO-UHFFFAOYSA-N 413.543 4.568 0 40 HJAB Nc1c(C(=O)Nc2ccc(SC(F)F)cc2)sc2nc3c(cc12)C(=O)CCC3 32815429 GFCHOQWIRVRKJL-UHFFFAOYSA-N 419.478 4.965 0 40 HJAB Cc1ccc(C)c(N2CCN(c3nccn4nc(-c5ccc(C)c(C)c5)cc34)CC2)c1 33048715 UPRLNTAUODPVAK-UHFFFAOYSA-N 411.553 4.957 0 40 HJAB COc1ccc(NC(=O)c2sc3nc4cc(C)c(C)cc4cc3c2N)c(OC)c1 33947200 FQAWXVNEJCTGDU-UHFFFAOYSA-N 407.495 4.918 0 40 HJAB Cc1nnc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)s1 35310723 FHSZZBCURDRQJV-UHFFFAOYSA-N 406.536 4.716 0 40 HJAB Cc1noc(CSc2nnc(-c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)n2C)n1 36692749 BZVUVZCKMYYNGZ-CYBMUJFWSA-N 403.577 4.678 0 40 HJAB CCn1c2ccccc2c2cc(CN3CCC4(CC3)C(=O)NCc3ccccc34)ccc21 38559856 CPYYZQOMVZSLIT-UHFFFAOYSA-N 423.560 4.978 0 40 HJAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1 39552182 MOULMOLVTPAARS-MRXNPFEDSA-N 420.538 4.658 0 40 HJAB Cc1ccc(NC(=O)CCCc2cccs2)cc1NS(=O)(=O)c1ccccc1 40106677 WVLSDRZWILOPJC-UHFFFAOYSA-N 414.552 4.819 0 40 HJAB CC(C)(C)c1nnc(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)o1 40134561 XYIHGLKFDMLXCN-MRXNPFEDSA-N 405.520 4.566 0 40 HJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)NCCc3ccc(Cl)cc3)n2)cc1 57486902 XXAXSJGFATZILP-UHFFFAOYSA-N 420.900 4.526 0 40 HJAB CCCCOc1ccccc1-c1cc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)[nH]n1 72331604 HKYDSHGKDJOWOZ-MRXNPFEDSA-N 423.513 4.764 0 40 HJAB O=C(CCOc1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72359197 ISFBTBZXVWFYJC-IBGZPJMESA-N 421.928 4.972 0 40 HJAB Cc1nccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)n1 78535192 CXNXLFMKDBUFFZ-UHFFFAOYSA-N 400.507 4.798 0 40 HJAB COc1ccccc1CNC(=O)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1 96038067 NXBFXUBELIPFFT-UHFFFAOYSA-N 422.488 4.731 0 40 HJAB CCCCn1c(=O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c(O)c2ccccc21 100534721 YFDRBEIPYJTNHM-UHFFFAOYSA-N 404.388 4.778 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 223167881 ZIGYGNZHOXFWEM-JOCHJYFZSA-N 424.585 4.713 0 40 HJAB CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc2ccccc2c1 225063041 ADJPOIQAFNHFDA-UHFFFAOYSA-N 408.292 4.957 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 225313618 RERDMRXECZVVQB-HOTGVXAUSA-N 421.368 4.868 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1 225335342 ZRLSFZDBJYIOND-UHFFFAOYSA-N 423.519 4.682 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)c(C)c1 225569440 UESCFNFLQNWCAA-UHFFFAOYSA-N 414.571 4.878 0 40 HJAB COC(=O)c1ccc(C)c(NC(=S)NCCCSCc2ccccc2F)c1 225612281 YLMMABBRULXSCW-UHFFFAOYSA-N 406.548 4.531 0 40 HJAB O=C(Cc1cccc(Br)c1)NCCSCc1c(F)cccc1Cl 225614512 KGVPTVSAJDBVMG-UHFFFAOYSA-N 416.743 4.834 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(N2CCCC2=O)cc1 225679432 SXHMYGJYCCLYIQ-IBGZPJMESA-N 409.555 4.711 0 40 HJAB Nc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1Br 226343885 UOHJXBRHLLEDAO-UHFFFAOYSA-N 401.489 4.991 0 40 HJAB FC(F)(F)Oc1ccc(CNc2ncncc2-c2nc(-c3cccs3)no2)cc1 252500973 UAMTWDCVVNAPGR-UHFFFAOYSA-N 419.388 4.766 0 40 HJAB CCc1ccc(N2C[C@H](C(=O)Nc3cc(C)c(Br)cc3C)CC2=O)cc1 408648388 XZZAJHVSOVWRKK-MRXNPFEDSA-N 415.331 4.620 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1)c1ccccc1 409008013 UOMPWBBRGAZPLH-MRXNPFEDSA-N 419.506 4.771 0 40 HJAB COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1F 409093130 XVVJJLNJXMYCEJ-MOSHPQCFSA-N 424.472 4.639 0 40 HJAB Cn1cc([C@@H]2CN(C(=O)Nc3ccccc3C(F)(F)F)Cc3ccccc32)cn1 575621128 YBAJQNDKXRZQNV-KRWDZBQOSA-N 400.404 4.619 0 40 HJAB O=C([C@@H]1CC[C@H]1c1ccc(Cl)cc1F)N1CC(OCCCc2ccccc2)C1 1137119145 VYFBINHHMWFSFB-PZJWPPBQSA-N 401.909 4.833 0 40 HJAB Oc1ccc(C2CCN(c3ncc(Br)cc3C(F)(F)F)CC2)cc1 1184785588 VHMZBKLXVAEEQA-UHFFFAOYSA-N 401.226 4.953 0 40 HJAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2C(F)(F)F)nn1 1775975410 GRCWNYKOWNPUMG-YIONKMFJSA-N 406.452 4.603 0 40 HJAB Fc1ccc(CN2CCC3(CC2)CC(Nc2cc(C(F)(F)F)ncn2)C3)c(F)c1 2056225897 FCIQFWJXPSIUOL-UHFFFAOYSA-N 412.406 4.630 0 40 HJAB COc1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)c1 646133 SWLDRMFQXKCVLJ-XMMPIXPASA-N 403.478 4.500 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)cc1 667106 KYFWTAWEOXDVSW-KPKJPENVSA-N 404.857 4.734 0 40 HJAB CC(C)c1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)CCCC3 1377461 GTAUEHYLZDAVEQ-UHFFFAOYSA-N 401.557 4.695 0 40 HJAB Cn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccco1 2348997 NFTQBPZDWUIFDS-UHFFFAOYSA-N 406.467 4.598 0 40 HJAB CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1 2400369 YLLVRCGYKIUTNT-LJQANCHMSA-N 418.474 4.706 0 40 HJAB CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(NCc2ccccc2)s1 3490835 FIDDMIWIESREOW-UHFFFAOYSA-N 412.584 4.680 0 40 HJAB CC(C)Cn1c([C@@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 4033473 XKJRBELXYAUGBQ-OAHLLOKOSA-N 412.331 4.975 0 40 HJAB O=C(COc1ccc(Cl)cc1)N(Cc1ccccn1)c1nc2ccccc2s1 4304744 ABZNEVLZFJHXPN-UHFFFAOYSA-N 409.898 4.957 0 40 HJAB Cc1c([C@@H](C)[C@H]2NC[C@@H](C)C[C@H]2O)ccc2c1C[C@@H]1[C@H]2CC=C2C[C@@H](O)CC[C@@]21C 4429989 MALFODICFSIXPO-XCFJYGRVSA-N 409.614 4.595 0 40 HJAB in-vitro O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)C12CC3CC(CC(C3)C1)C2 4556174 SNRUCBFFVVLFCI-UTRYOTDBSA-N 415.533 4.597 0 40 HJAB COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2C(=O)C(C)(C)C)cc1 4732745 SGMNSAQZYXENFC-NHCUHLMSSA-N 404.514 4.709 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)NC3CCCCC3)n2C(C)C)c(C)c1 4736089 HSJFZCCTOJHNNK-UHFFFAOYSA-N 416.591 4.596 0 40 HJAB FC(F)(F)c1nc(N2CCN(c3cccc(Cl)c3)CC2)nc2c1CCCCC2 4762826 BDXGXUREHMPGTL-UHFFFAOYSA-N 410.871 4.744 0 40 HJAB COC(=O)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 4869751 ATOKNTZRAWJDKJ-UHFFFAOYSA-N 407.520 4.660 0 40 HJAB C[C@@H]1CCC[C@@H](C)N1CCNc1nc2ccccc2c2nc(-c3ccccc3)nn12 5055226 QDGKQVCGNWUIFT-QZTJIDSGSA-N 400.530 4.619 0 40 HJAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 5101193 SFVLIEZTBJKXKQ-PPZCWDAYSA-N 411.310 4.802 0 40 HJAB COc1ccc(-c2ccc(SCC(=O)Nc3ccccc3Cl)nn2)cc1OC 5410531 KTKKNGQJSMOWCQ-UHFFFAOYSA-N 415.902 4.545 0 40 HJAB COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc(C)s2)cs1 6052196 UBXZYDWXQDFZAD-UHFFFAOYSA-N 402.497 4.563 0 40 HJAB CCCCCn1nc(C(=O)Nc2cccc(Br)c2)c2ccccc2c1=O 6338872 FWFPMAZFDJZMBQ-UHFFFAOYSA-N 414.303 4.602 0 40 HJAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C2CCCCC2)cc1 6344217 YDXCUESXOOBTLL-HSZRJFAPSA-N 419.521 4.509 0 40 HJAB C[C@@H]1CCc2sc(C(=O)OCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cc2C1 7159217 FAWIMDHDEMLNIN-OGMCXFKZSA-N 415.599 4.751 0 40 HJAB COc1cccc(C(=O)OCC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)c1OC 7182039 YTUZRIJRLVNXRK-UHFFFAOYSA-N 421.449 4.600 0 40 HJAB Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)c(Br)c1 7726052 URDJKYLBFVDLOC-UHFFFAOYSA-N 403.276 4.584 0 40 HJAB Cc1cc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc(C)c1Br 7882198 OHKCLUMNIQHZOO-WBVHZDCISA-N 415.331 4.614 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CSc1cccc2cccc(Cl)c12 8072582 CQXKTXYDWDSJKX-GJZGRUSLSA-N 405.947 4.918 0 40 HJAB O=C(NCc1ccccc1CN1CCCC1)c1cc(-c2cccnc2)nc2ccccc12 8194334 UDFFHZUMQHUBHF-UHFFFAOYSA-N 422.532 4.823 0 40 HJAB O=C(CSc1nc2ccccc2s1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8314362 FLHQULLRPUSQRN-MRXNPFEDSA-N 412.536 4.523 0 40 HJAB Cc1nc(-c2ccc(Cl)cc2)nc2sc(C(=O)Nc3nccs3)c(N)c12 8990858 BXMTVNFDEIBJMQ-UHFFFAOYSA-N 401.904 4.611 0 40 HJAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc3ccccc3c2)C1=O 9337870 OKNALMFVZUGOID-RUZDIDTESA-N 418.468 4.799 0 40 HJAB O=C(N[C@H](Nc1nc2ccccc2s1)C(Cl)(Cl)Cl)c1ccc(F)cc1 9427777 LONWKURXXBGZLF-CQSZACIVSA-N 418.708 4.974 0 40 HJAB O=C(CSc1nccn1-c1cccc(F)c1)N(Cc1ccccc1)Cc1ccco1 9593024 YJEUHGBBBYMDHM-UHFFFAOYSA-N 421.497 4.926 0 40 HJAB COc1cc(N[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CCCC1=O 10184750 WVMQBWXUIBGAIG-LBPRGKRZSA-N 422.312 4.568 0 40 HJAB CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 12111530 GQEKSJBUHAYGCZ-OAHLLOKOSA-N 409.486 4.839 0 40 HJAB CC(C)c1cc(C(=O)N2CCc3ccccc3C2)nn1-c1nc2ccccc2s1 12223598 VQTBOEPQYFZBRS-UHFFFAOYSA-N 402.523 4.804 0 40 HJAB COc1ccc(-c2cc(=O)c3cc(NC(=O)CCc4cc(Cl)no4)ccc3o2)cc1 12390526 XERDBLQZAMKKPM-UHFFFAOYSA-N 424.840 4.681 0 40 HJAB biogenic Cc1ccc(-n2nnc(C(=O)OCc3nc(-c4ccc(Cl)cc4)oc3C)c2C)cc1 12415667 PGQSXRNWCPUPIF-UHFFFAOYSA-N 422.872 4.858 0 40 HJAB COc1ccc2c(=O)c(Oc3ccc(C(=O)Nc4ccccc4OC)cc3)coc2c1 12442450 NCAVOMVIWMZJHE-UHFFFAOYSA-N 417.417 4.855 0 40 HJAB biogenic COc1ccc2c(C)c(CCC(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)oc2c1 12460005 QIEOZYYIZPCTEC-UHFFFAOYSA-N 406.265 4.988 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCCC2)c1 12535984 YRDWJLPXVDJXCS-UHFFFAOYSA-N 400.544 4.557 0 40 HJAB CC(=O)c1c(C)nc(-c2ccco2)nc1S[C@H](C)C(=O)Nc1ccc(C)cc1C 12765609 LNJXYQVZZRFYNU-MRXNPFEDSA-N 409.511 4.984 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1Cl 12905102 MDGIUEFJHQSKEP-UHFFFAOYSA-N 423.885 4.617 0 40 HJAB Cc1cc(NC(=O)[C@H](Sc2n[nH]c(/C=C/c3ccccc3)n2)c2ccccc2)no1 12926877 ZTBDELXFFDPTOA-DRUFCSCSSA-N 417.494 4.744 0 40 HJAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c1 13004504 PWOKMRBNKFFFQP-HNNXBMFYSA-N 403.526 4.620 0 40 HJAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)cc1 15554489 PNEYOUKNUZVMFW-OAHLLOKOSA-N 409.511 4.937 0 40 HJAB COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3cccc(C)c3)no2)c2ccccc12 15674359 AFBHWOAHGKRBHJ-KNQAVFIVSA-N 415.493 4.515 0 40 HJAB biogenic,in-vitro Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2Cc2ccccc2Cl)c1C 19558588 BIDZRIWSCFEHPF-IBGZPJMESA-N 411.937 4.805 0 40 HJAB Cc1nc2ccc(F)cc2cc1C(=O)Nc1nnc([C@H](C)Oc2ccccc2)s1 19718110 INQUHKJLERQSBO-ZDUSSCGKSA-N 408.458 4.926 0 40 HJAB Cc1nc([C@H]2CCCCN2Cc2ccc(-c3ccccc3)cc2)ncc1C(=O)N(C)C 19765616 FFJNRVXCSICSFD-XMMPIXPASA-N 414.553 4.881 0 40 HJAB O=C(CCN1CCOCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 19893174 WITMGOUNEZZGDS-UHFFFAOYSA-N 408.445 4.557 0 40 HJAB COc1cc(CNCCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 22075748 UGSKUBZVQBGNSB-UHFFFAOYSA-N 417.764 4.886 0 40 HJAB O=C(NCc1ccc(F)cc1)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 22507703 KXDIRDTYLFAXMN-UHFFFAOYSA-N 403.457 4.627 0 40 HJAB Oc1c([C@H](c2ccc(F)cc2)N2CCC(Cc3ccccc3)CC2)sc2ncnn12 22609663 VAFGVFGKEJIDLM-FQEVSTJZSA-N 422.529 4.680 0 40 HJAB O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCO[C@H](c2ccccc2)C1 27907653 MRSVPFRQDOEXKN-NRFANRHFSA-N 415.518 4.815 0 40 HJAB O=S(=O)(Oc1ccc2c(-c3cc(F)c(F)c(F)c3)noc2c1)c1cccs1 32097320 LOZRKFFCYIFEAH-UHFFFAOYSA-N 411.382 4.741 0 40 HJAB Cc1cc2cc(C)c3nnc(SCc4cc(=O)[nH]c5ccccc45)n3c2cc1C 35290847 GDNHBHQTYWNILN-UHFFFAOYSA-N 400.507 4.942 0 40 HJAB CCOc1ccccc1NC(=O)[C@H](NCCc1ccc(OC)cc1)c1ccccc1 36310625 OZILGBPDXRRJCV-XMMPIXPASA-N 404.510 4.606 0 40 HJAB O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1ccc(Cl)c(Cl)c1 36398496 XUOMGPXRHSLYSQ-UHFFFAOYSA-N 405.237 4.856 0 40 HJAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccc(CN2CCCCC2)cc1 38831637 HOFQBUMPKOVULF-UHFFFAOYSA-N 405.586 4.588 0 40 HJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Nc1nnc(C2CC2)s1 40150538 WVBLZDLRFSWTOU-AWEZNQCLSA-N 421.526 4.893 0 40 HJAB C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)c1nc(C(C)(C)C)no1 44089197 RWBIHNNLVWJSCX-CHWSQXEVSA-N 418.542 4.563 0 40 HJAB O=C(O)CCC(=O)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 51329697 OFSWBVKSEHHYTE-AROGIYSDSA-N 400.525 4.797 0 40 HJAB O=C(Nc1ccccc1N1CCOC1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 58377949 WDNSHKLMECWGLV-UHFFFAOYSA-N 418.293 4.933 0 40 HJAB O=C(COc1ccccc1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349071 SVARZMXLOVRZCG-HXUWFJFHSA-N 404.485 4.597 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 72358968 VGYDMARFELZQGK-QGZVFWFLSA-N 414.484 4.713 0 40 HJAB Cn1ccnc1-c1cccc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)c1 84325151 GYRIJQKYQHLPEZ-UHFFFAOYSA-N 401.470 4.687 0 40 HJAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(Oc2ncccc2Cl)CC1 96096861 VOFPHZNCFCDTQV-UHFFFAOYSA-N 420.896 4.650 0 40 HJAB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(Cl)cc2Cl)n1C 107875318 OZCZMNRUTFAKTJ-GFCCVEGCSA-N 421.353 4.905 0 40 HJAB O=C(NCCc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 223414369 LLXZOQUTYMSECZ-UHFFFAOYSA-N 404.941 4.871 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC3=CCCCC3)ccc2C)cc1C 223947436 PMWGHPFWVQLHEL-UHFFFAOYSA-N 412.555 4.643 0 40 HJAB COc1ccc(C)cc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C 224009255 FBNHRHNRAHNNPI-ZHZULCJRSA-N 406.507 4.783 0 40 HJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)c1 224230653 ZIQKSRZINQKGRX-VJBMBRPKSA-N 418.566 4.548 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224671009 YUSSECICZQWGRI-NRFANRHFSA-N 406.570 4.712 0 40 HJAB CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Br)cc1 224727734 JLNIQMBCPORJAV-UHFFFAOYSA-N 408.239 4.683 0 40 HJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 225449045 SLNGOTLFEZBZCQ-JOCHJYFZSA-N 414.977 4.649 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 225454252 KCXFNWJDLJXNEN-KRWDZBQOSA-N 418.990 4.515 0 40 HJAB CCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 226855694 MSHYTDNIQONGQW-UHFFFAOYSA-N 422.717 4.950 0 40 HJAB CC(=O)N[C@]1(C)C[C@H](c2cc(Cl)c3c(c2)OCCCO3)O[C@@H]2C[C@H](C)CC[C@H]21 257273877 NIOSVJXGSCZLPW-NROQGZOISA-N 407.938 4.662 0 40 HJAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)[N]CCCCCCN(C)C)c1O)OC2(C)C 257337336 YSKPJSCJYPBBEX-MISYRCLQSA-N 415.598 4.950 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCN3CCC[C@H](C)C3)cc2)CCC[C@@H](C)C1 260812577 GWWAIPLRLWPOJE-JXALWOEJSA-N 402.579 4.721 0 40 HJAB CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)C1=O 409015705 RVSRDFSFKRLNSZ-UOEVCUDDSA-N 424.522 4.847 0 40 HJAB O=C(NCc1ccco1)c1cccc(CN2CCc3cc(C(F)(F)F)ccc3C2)c1 1659684092 ICRKGNCQUNMUGG-UHFFFAOYSA-N 414.427 4.787 0 40 HJAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)[C@H]1COc2ccccc2O1 818350 XREAUAFULBESAT-QGZVFWFLSA-N 420.412 4.531 0 40 HJAB O=C(NCc1cccs1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 865970 FXJHEMTUGNGZDD-GDBMZVCRSA-N 424.423 4.674 0 40 HJAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1)OCc1ccccc1 871679 QSWFNHDSWMFZHJ-QHCPKHFHSA-N 413.477 4.644 0 40 HJAB O=C(Cn1c(C(Cl)(Cl)Cl)nc2ccccc2c1=O)c1ccc(Cl)cc1 984135 UPYYBCYZDBCVNJ-UHFFFAOYSA-N 416.091 4.760 0 40 HJAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c(C)c1 1056072 GZVFHNAMQFJKRY-HSZRJFAPSA-N 402.494 4.780 0 40 HJAB biogenic CC(C)c1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 1962601 MGMFJEBRQJQHEP-UHFFFAOYSA-N 401.462 4.837 0 40 HJAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(Br)cc1C)C3 2119930 DLPYLZFUWBUOPV-UHFFFAOYSA-N 400.272 4.783 0 40 HJAB biogenic O=C(Nc1cc(F)ccc1F)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 2485418 MGNPDSQMZQAAOT-UHFFFAOYSA-N 400.335 4.864 0 40 HJAB Cc1ccc(C(C)C)c(OC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c1 3279591 ATGQSUKBSKPOSS-UHFFFAOYSA-N 420.486 4.715 0 40 HJAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccccc1-c1ccccc1 3374950 SWRNCPQCNVXYSL-UHFFFAOYSA-N 423.398 4.665 0 40 HJAB Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cc2C1=O 3422771 MRSQOGGFSBQTLW-UHFFFAOYSA-N 422.387 4.649 0 40 HJAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc2c(c1)OCO2 3428084 BUUYJEWCWICTHU-IBGZPJMESA-N 422.868 4.569 0 40 HJAB aggregator O=C(c1ccc(F)cc1)c1oc2ccccc2c1NC(=O)[C@@H]1COc2ccccc2O1 3655335 WYSPZLUCQDTWRT-FQEVSTJZSA-N 417.392 4.581 0 40 HJAB CCCCCCOc1ccc(/C=C/C(=O)NCCc2nc3ccccc3[nH]2)cc1OC 3946870 ZSTUQWBNFKTBDY-WYMLVPIESA-N 421.541 4.903 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(C(=O)c1ccco1)C1CCCCC1 4240662 DAJNAIWTHBXTHN-JOCHJYFZSA-N 412.505 4.994 0 40 HJAB Cc1ccc(-c2nc(CCNS(=O)(=O)c3c(C)cc(C)cc3C)cs2)cc1 4570674 BSFNXLBNFZGDBT-UHFFFAOYSA-N 400.569 4.565 0 40 HJAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](Sc1ccccc1)c1ccccc1 5420303 ZVWPEGBEYMFSLD-HSZRJFAPSA-N 404.535 4.892 0 40 HJAB O=C(CSc1ccc2ccccc2n1)Nc1ccccc1C(=O)NC1CCCC1 5626705 UFHXCBGTQYRVTJ-UHFFFAOYSA-N 405.523 4.638 0 40 HJAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1c(C)cccc1C 6169084 SNPFRPYMFHQDBU-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1nnc(C2CC2)o1 7289873 LYGPCRJKWUXDQW-UHFFFAOYSA-N 403.891 4.611 0 40 HJAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN(C)Cc2ccsc2)cc1 7926932 MMWNYHHUFWJEJH-QHCPKHFHSA-N 419.550 4.566 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)/C=C/c1ccsc1)CC2 7983574 JBWHJYJMHXTKAB-KDLSMAQYSA-N 405.519 4.953 0 40 HJAB Cc1cc(O)c2c(C)c(CC(=O)Nc3ccc(N4CCC(C)CC4)cc3)c(=O)oc2c1 9061330 KHRJJAKGLAXHDH-UHFFFAOYSA-N 420.509 4.533 0 40 HJAB CC(C)[C@@H](NC(=O)CCCSc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 9125683 PPWZKOBHPGIKNT-HXUWFJFHSA-N 407.543 4.825 0 40 HJAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3F)c3ccccn23)cc1C 9316994 AWKKRQSPHKUPGY-UHFFFAOYSA-N 401.441 4.761 0 40 HJAB Cc1cc(C(=O)CSc2nnc[nH]2)c(C)n1C(c1ccccc1)c1ccccc1 10021540 COXHLHXTYHUIJC-UHFFFAOYSA-N 402.523 4.836 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c(F)c3)C2)c2ccccc12 10492438 XSXXRLDIUSXEBR-HNNXBMFYSA-N 424.447 4.618 0 40 HJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cccc(C)c2C)cc1 11117503 PNFULZPRCWYNRF-FGZHOGPDSA-N 407.539 4.820 0 40 HJAB O=C(Cn1c(SCCOc2ccccc2)nc2ccccc21)N1CCCCCC1 11667192 DOHOIUYMVPWIAU-UHFFFAOYSA-N 409.555 4.610 0 40 HJAB Cc1ccc(NC(=O)COc2ccc(-c3ccnc(-c4ccccc4)n3)c(O)c2)cc1 12062479 UNYLEAFXERXJFY-UHFFFAOYSA-N 411.461 4.842 0 40 HJAB CC[C@@H](NC(=O)Cn1c(-c2cccs2)cc2cccnc21)c1c(C)nn(CC)c1C 12148129 MURKDOUZJWYEHG-GOSISDBHSA-N 421.570 4.866 0 40 HJAB CC(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)Cc3ccccn3)cc2)n1 12220535 IZIOMGHKOYRLQL-UHFFFAOYSA-N 423.520 4.583 0 40 HJAB CCCOc1c(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(OC)cc2)C3)cccc1OC 12238102 RAZCJLOUWJERIA-KEVCNVLYSA-N 411.542 4.507 0 40 HJAB Cc1ccc(Cl)c(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c1Cl 12756449 POVGLQHSNBCREW-AWEZNQCLSA-N 413.370 4.983 0 40 HJAB Cc1csc(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)n1 12861724 SMYBCPDESHYPCP-UHFFFAOYSA-N 401.285 4.697 0 40 HJAB Cc1cc(I)ccc1NC(=O)CCSCc1ccccc1 13688063 YBQZQJNHYKGDLO-UHFFFAOYSA-N 411.308 4.862 0 40 HJAB COc1c(F)c(F)cc2c(=O)c(C(=O)N[C@@H](C)CCCC(C)C)cn(C3CC3)c12 13691267 OLEFIUIBBXJMAV-ZDUSSCGKSA-N 406.473 4.568 0 40 HJAB C[C@H](C(=O)n1c2ccccc2c2ccccc21)N1CCN(c2ccc(F)cc2)CC1 14608359 QMQKTSUBINLNGL-GOSISDBHSA-N 401.485 4.785 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 14739472 WGWYUECQLBDRCG-UHFFFAOYSA-N 420.962 4.809 0 40 HJAB O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc2c(c1)Cc1ccccc1-2 14934139 JWDILOBWXVPSML-UHFFFAOYSA-N 400.503 4.725 0 40 HJAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccccc2C(F)(F)F)o1 15881393 MYQMAFNYHIGGAM-UHFFFAOYSA-N 414.387 4.911 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2ccccc2OC)n1 19525593 OGLRJSIUGUGRCP-OAQYLSRUSA-N 416.525 4.867 0 40 HJAB Cc1noc2nc(C3CCN(C(=O)c4cc(C(C)C)no4)CC3)cc(C(F)(F)F)c12 19564865 FUZFZHHSCDZVGO-UHFFFAOYSA-N 422.407 4.681 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc2c(c1)ncn2C1CC1 19663140 OLAUZZQVBHJKFI-UHFFFAOYSA-N 402.479 4.682 0 40 HJAB O=C(CSc1cc(N2CCCCC2)ncn1)Nc1ccc(Oc2ccccc2)cc1 21658175 XETKNPVDLZABGI-UHFFFAOYSA-N 420.538 4.990 0 40 HJAB O[C@@]1(c2ccc(Br)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 22408757 VNRPPJYUYHDGOM-HXUWFJFHSA-N 420.758 4.753 0 40 HJAB O=C(/C=C/c1nc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23955787 FFUMWSVTTFIMIO-FOCLMDBBSA-N 423.516 4.775 0 40 HJAB CCSc1ncc(Br)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 27743174 HEPOZBKOBQENHZ-UHFFFAOYSA-N 407.120 4.910 0 40 HJAB CCCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2ncccc2C)n1 27809994 RVXMLVCGORUQPI-HNNXBMFYSA-N 421.526 4.668 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)Cc2nc(-c3ccccc3)oc2C)cc1OC 29193908 DDTRIXPMWHLXQI-HXUWFJFHSA-N 406.482 4.573 0 40 HJAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 30755502 TWUUTMNGKDKXHD-UHFFFAOYSA-N 414.914 4.630 0 40 HJAB CS(=O)(=O)Nc1cccc(C(=O)Oc2ccc(-c3nc4ccccc4s3)cc2)c1 32754546 PVILFRGEGMLFHZ-UHFFFAOYSA-N 424.503 4.554 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)CSc1nc(CN(C)C)nc2ccccc12 32865929 SBVHKQROABKHEQ-UHFFFAOYSA-N 408.571 4.854 0 40 HJAB CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C2=COCCO2)cc1 32986059 OXJSLTWEVJJIKA-UHFFFAOYSA-N 409.360 4.723 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2C)c1 33716522 QMQQPMURIMBBIW-IBGZPJMESA-N 422.550 4.904 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4ccc(C)cc4)nn32)c1 35684478 DQGHJWPQGXYWIA-IBGZPJMESA-N 402.454 4.541 0 40 HJAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)c(Cl)c2)cc1OC 36359907 ZWMRITUKBRKFRM-ZDUSSCGKSA-N 401.825 4.806 0 40 HJAB Cc1nn2c(ncc3c(=O)n(Cc4ccc(Cl)cc4)ccc32)c1-c1ccc(F)cc1 40396910 INRUSUSGNXECCP-UHFFFAOYSA-N 418.859 4.860 0 40 HJAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1 44912114 TXQGKWCDHDDQSL-UHFFFAOYSA-N 414.933 4.676 0 40 HJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3Br)n[nH]2)cc1 51315480 CNKPCYXRMFRVCV-UHFFFAOYSA-N 404.239 4.629 0 40 HJAB CCc1cc(=O)n(CC(=O)Nc2c(C)cccc2CC)c(-c2cccc(Cl)c2)n1 57527687 QAZFQKHOTHFTIB-UHFFFAOYSA-N 409.917 4.636 0 40 HJAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CCCc3nc4ccccc4[nH]3)cc2)C1 57985875 NLPIPHDFOBYAIZ-WOJBJXKFSA-N 418.585 4.680 0 40 HJAB COc1cc(OC)cc(-n2c(SCc3ccc(F)cc3)nc3ccccc3c2=O)c1 67258639 RVSFACLRUWRVBL-UHFFFAOYSA-N 422.481 4.834 0 40 HJAB CNC(=O)C1(Cc2ccc(-c3cccc(C)c3)cc2)CCN(C(=O)CC(C)(C)C)CC1 72345225 ZEVNWIFNJRGEGY-UHFFFAOYSA-N 420.597 4.996 0 40 HJAB Cc1cc(Nc2nc(C)cs2)cc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 72372550 FVHGXLJJBZVFTL-FQEVSTJZSA-N 410.518 4.944 0 40 HJAB Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1ncc(-c2ccccc2)s1)C(F)(F)F 84011924 LVXOZOIMQRDBTC-HNNXBMFYSA-N 409.437 4.586 0 40 HJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)O)o1 222937479 MDSUZXFZYZXZGQ-SFTDATJTSA-N 421.522 4.668 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 223017839 FXUOFZNPOAKYKV-HXUWFJFHSA-N 407.341 4.808 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 223052934 LHPZQWUWOQFSBH-LJQANCHMSA-N 424.585 4.522 0 40 HJAB CCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 223264017 WKUQFTIFAIQKNP-UHFFFAOYSA-N 420.534 4.561 0 40 HJAB Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4c(C)cccc4C)ccc32)cc1 223374329 CNPDRDKPKDWSMI-UHFFFAOYSA-N 420.534 4.616 0 40 HJAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(N3CCCC3=O)c1)CC(C)(C)O2 225676079 FLOHESBCBVWQGX-LJQANCHMSA-N 409.555 4.711 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)cc1C 225738478 MEKNAIYHZVJXSF-UHFFFAOYSA-N 424.547 4.529 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)Nc3cc(C)ccc3C)cc2)cc1 225983800 SLRSDLGPXFBJTE-UHFFFAOYSA-N 422.550 4.618 0 40 HJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 408584148 MJMARHQABLVFJR-UHFFFAOYSA-N 421.950 4.857 0 40 HJAB O=C(O)c1ccc(-n2cccc2/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409142321 KRNMWEPXRKHEDZ-CPNJWEJPSA-N 410.495 4.792 0 40 HJAB COCCN1C(=O)S/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C1=O 409148621 YXGUVDAGXDRGTR-FYJGNVAPSA-N 406.507 4.681 0 40 HJAB O=C(Cc1ccccn1)N1CC2(CCOCC2)c2cc(-c3ccc(F)cc3)ccc21 585105909 YIQBUVDFUHUIBC-UHFFFAOYSA-N 402.469 4.525 0 40 HJAB COc1ccc(/C=C/c2nn3c(CSCc4ccccc4)nnc3s2)cc1OC 1501039889 ICIREUKQUDUSFC-PKNBQFBNSA-N 424.551 4.807 0 40 HJAB CC[C@@H]1CCCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 844963 JNLUVOJDNXCEGW-OAHLLOKOSA-N 420.410 4.959 0 40 HJAB Cc1ccc2[nH]c3nc(SCC(=O)Nc4cccc(C(F)(F)F)c4)nnc3c2c1 888157 UURYNFAUVGSPOM-UHFFFAOYSA-N 417.416 4.564 0 40 HJAB Cc1ccc(NC(=S)N(Cc2cc3cccc(C)c3[nH]c2=O)C[C@H]2CCCO2)cc1 1224320 ARNWOMTUIBZPNI-OAQYLSRUSA-N 421.566 4.523 0 40 HJAB COCCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(C(C)=O)c1=O 1582003 QZNGSMQJEWCTQA-UHFFFAOYSA-N 417.292 4.733 0 40 HJAB COC(=O)Cc1c(C)c2ccc(OCc3c(Cl)cccc3Cl)cc2oc1=O 2148036 QOJFJAIYECBCCU-UHFFFAOYSA-N 407.249 4.703 0 40 HJAB biogenic Cc1ccc(CNC(=O)c2c(N)n(-c3ccccc3C)c3nc4ccccc4nc23)cc1 2249774 TYBPERUYEWEWDK-UHFFFAOYSA-N 421.504 4.703 0 40 HJAB CC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccc(Cl)cc1)N2 2424349 PDZVGUBLBINTCB-DLBZAZTESA-N 402.285 4.690 0 40 HJAB O=C(Nc1ccc(Br)cc1Cl)c1ccc(OC[C@H]2CCCO2)cc1 2623417 WSAFNMVTSDBPNT-OAHLLOKOSA-N 410.695 4.913 0 40 HJAB C[C@H](OC(=O)c1ccc(Cl)cc1N)C(=O)Nc1ccc(Oc2ccccc2)cc1 2634576 QMOOXZOPUBBDIA-AWEZNQCLSA-N 410.857 4.899 0 40 HJAB CCCCc1ccccc1NC(=O)c1ccc(Cn2cc(Br)cn2)o1 2760110 VMKBEVSYXKSJQE-UHFFFAOYSA-N 402.292 4.882 0 40 HJAB CCCC(=O)N[C@@H](NC(=S)Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl 3142257 IHHNZSHGBNWIEL-HNNXBMFYSA-N 418.777 4.739 0 40 HJAB Oc1ccc(N2CCN(C(=S)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1 3316306 JHOXGPQRDOALBM-UHFFFAOYSA-N 415.868 4.583 0 40 HJAB CC(C)c1ccccc1NC(=O)COc1ncnc2ccc(Br)cc12 3456552 ANNVUBCGTYBSQL-UHFFFAOYSA-N 400.276 4.533 0 40 HJAB CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 4517868 ICYYPAKRKJERNW-UHFFFAOYSA-N 408.504 4.619 0 40 HJAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccncc2)nc2ccccc12 4871739 UXKRPASEDALMDK-UHFFFAOYSA-N 422.532 4.691 0 40 HJAB CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 5157951 YGEBWKAOIPRCLU-FQEVSTJZSA-N 411.885 4.807 0 40 HJAB O=c1[nH]c(SC[C@@H]2COc3ccccc3O2)nc2scc(-c3ccccc3)c12 5265730 QJKRJVKRXGLCJP-AWEZNQCLSA-N 408.504 4.584 0 40 HJAB Clc1cccc(/N=c2\scc(-c3cccs3)n2CCCN2CCOCC2)c1 5299012 IOYFOYCAQLZMCA-XDOYNYLZSA-N 420.003 4.886 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccccc1)N(c1ccccn1)C3=O 5321700 KKSDJTKTOFWLCL-HXUWFJFHSA-N 402.837 4.900 0 40 HJAB CCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)CCCC(=O)O 5953081 QBFKYKUVFUZPJF-UHFFFAOYSA-N 411.479 4.938 0 40 HJAB CCCCc1ccc(N2COc3ccc4c(C)c(CC(=O)OC)c(=O)oc4c3C2)cc1 6719278 RXOSMQLYNJJWSD-UHFFFAOYSA-N 421.493 4.516 0 40 HJAB O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 8291817 WSPVMJVEIUAZRN-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB C[C@H](NC(=O)CSc1nc(-c2ccccc2)cs1)c1ccc2c(c1)OCCO2 8362572 NTLQTOOVTCEGJS-AWEZNQCLSA-N 412.536 4.551 0 40 HJAB C[C@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ncc(Cl)cc1Cl 9882594 BOGFXINQLQABCF-VIFPVBQESA-N 421.202 4.520 0 40 HJAB C[C@@H](Sc1nnc(-c2cccnc2)o1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 10202951 HWKWNRLJLHKKEF-SNVBAGLBSA-N 423.479 4.543 0 40 HJAB O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1ccccc1Oc1ccccc1 10218977 SZCPATKSSYMOCM-UHFFFAOYSA-N 413.470 4.811 0 40 HJAB COc1cc(/C=C/C(=O)Nc2c(C)nn(-c3ccccc3)c2C)ccc1OC(C)C 10540429 PNYJWXMXXVOVLP-WYMLVPIESA-N 405.498 4.937 0 40 HJAB O=C1C[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)CN1c1ccc(Cl)cc1 12414344 OCRMRKWRYPANIL-LBPRGKRZSA-N 407.779 4.929 0 40 HJAB FC(F)(F)c1ccc(N2CCCN(Cn3c(=S)oc4ccccc43)CC2)nc1 12567295 QTXARNCPKDWCOG-UHFFFAOYSA-N 408.449 4.547 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)cc1Cl 12676728 FEVRWEZDDOUHOW-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@H](C)SCc2nc(-c3cccc(Cl)c3)no2)cc1 12986956 JNJQEMLCMBYWBG-ZDUSSCGKSA-N 415.902 4.853 0 40 HJAB Cc1ccccc1[C@@H](OC(=O)CCc1nc(-c2ccc(F)cc2)no1)C(F)(F)F 12993681 GALYTHDHEQHHOY-GOSISDBHSA-N 408.351 4.964 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2Cl)sc2c1CCCC2 13709901 RQCRSVBOXDRKJX-LBPRGKRZSA-N 407.919 4.863 0 40 HJAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3CC)n2C)cc1 13871304 SGAODOFBBRYBHM-INIZCTEOSA-N 424.570 4.811 0 40 HJAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cc(C)ccc1C 14121461 VLBQKHGNBSNBGG-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB CN(C)C(=O)c1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1 16013442 FFEJYMOFXAWMML-UHFFFAOYSA-N 404.535 4.850 0 40 HJAB COc1ccc(-c2nnc(NC(=O)Cc3ccc(Cl)c(Cl)c3)s2)cc1OC 18193842 XHOJCRDBDIRPFG-UHFFFAOYSA-N 424.309 4.710 0 40 HJAB Cc1nccn1CCCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 19288130 ZCWGNYZENHSZMK-UHFFFAOYSA-N 409.342 4.965 0 40 HJAB CCOc1ccc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 19533253 ZMFCCOTVTNRFLK-NRFANRHFSA-N 421.545 4.550 0 40 HJAB CC(C)n1c([C@H]2CCCN(C(=O)c3ccc4c(c3)ncn4C)C2)nc2ccccc21 19718630 DXOFMZRLNMSZDH-SFHVURJKSA-N 401.514 4.524 0 40 HJAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c(C)c1 19933329 ZIWMZUDPHYXJQL-UHFFFAOYSA-N 411.479 4.765 0 40 HJAB Cc1cc(C)cc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1 19947363 MQIFVHGKZMMJEX-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(I)cc2)cc1 20039801 VHRVKGPWOMTQND-GOSISDBHSA-N 423.294 4.817 0 40 HJAB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)Nc1ccc2c(c1)OCO2 23235507 RQPLHYHVLINDER-UHFFFAOYSA-N 421.400 4.815 0 40 HJAB C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)cc2)C[C@@H](C)O1 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CCN(CC)CCOc1ccccc1NC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 40104519 LXNJDIOOYWFUBB-UHFFFAOYSA-N 420.557 4.787 0 40 HJAB COC(=O)Nc1ccc(CNC(=O)c2ccc(C3SCCCS3)cc2)cc1 40117577 LWGLALALZMUOBB-UHFFFAOYSA-N 402.541 4.664 0 40 HJAB CCCCn1c(SCC(=O)Nc2cccc(C)c2C)nc2ccsc2c1=O 57426418 UEOIZYRIZRSRID-UHFFFAOYSA-N 401.557 4.606 0 40 HJAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 58059017 MBOXQZYKUWQNFY-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCOc1ccc(-c2nc(C[S@](=O)Cc3ccccc3F)cs2)cc1OC 58158021 MKJSFGWMUBDYQV-MHZLTWQESA-N 405.516 4.805 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 58161412 WZDQAAAMTKNMEJ-XMMPIXPASA-N 419.500 4.693 0 40 HJAB COc1ccc(-c2noc(C3(c4cccc(Br)c4)CCOCC3)n2)cc1 70003896 ROCGAFAXCQVWHW-UHFFFAOYSA-N 415.287 4.604 0 40 HJAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccc(Br)s3)nnc12 100477101 ILUXCZMFMKHYEC-VVVCHXIZSA-N 424.389 4.846 0 40 HJAB CCOc1cc(C(=O)N(CC)CC)cc(Br)c1OCc1ccccc1 106376943 MXXOIVQTTKQVTE-UHFFFAOYSA-N 406.320 4.909 0 40 HJAB Cc1ccccc1OC[C@H](C)NC(=O)COc1ccc(C(C)C)cc1Br 218877030 MREDEGVRKWZCHD-INIZCTEOSA-N 420.347 4.843 0 40 HJAB COC(=O)c1ccc(Nc2ccc(C)cc2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223411637 UBDAQYCFMZWCTK-UHFFFAOYSA-N 410.495 4.634 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NCCC(C)C)cc1 223423570 IYNWVHMWBXWWMW-UHFFFAOYSA-N 418.559 4.819 0 40 HJAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCOc1ccc2ccccc2c1 223611089 OITUKFCUHXVVQD-UHFFFAOYSA-N 410.322 4.645 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224677265 UYSPSJJTGXCWCA-NRFANRHFSA-N 406.570 4.712 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 224738845 NLQHPNSUPFBJQP-JOCHJYFZSA-N 414.977 4.771 0 40 HJAB C[C@H]1CCCN(CCCNC(=S)Nc2ccc(Br)c(Cl)c2)C1 225736780 VUUSOWIZNLYDSB-LBPRGKRZSA-N 404.805 4.511 0 40 HJAB COc1ccccc1C1OCC(C)(C(=O)Nc2ccc(OC)c3ccccc23)CO1 225921162 RNOVHPPLADVTEU-UHFFFAOYSA-N 407.466 4.547 0 40 HJAB O=C(Nc1ccccc1)c1cnn2c([C@H]3CCCN(CC4CCCCC4)C3)ccnc12 306136283 POQMKVGAWOKTSH-FQEVSTJZSA-N 417.557 4.741 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 408547365 IWHMZLQCAHKCDK-OAHLLOKOSA-N 408.951 4.565 0 40 HJAB CCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccc(C)cc1 408562515 QMKWNBVKMZYBJB-VHXPQNKSSA-N 410.539 4.866 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 408666381 HSOCEXGSAQQPPP-UHFFFAOYSA-N 424.280 4.746 0 40 HJAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 409344858 HQFQTRNNPPTLAQ-WOJGMQOQSA-N 401.871 4.658 0 40 HJAB C[C@H](NCCNC(=O)c1cccc(Br)c1)c1cccc(-c2ccncc2)c1 540177916 NGDOYDMPCWTKHG-INIZCTEOSA-N 424.342 4.592 0 40 HJAB Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)NCCc1ccc2c(c1)OC(F)(F)O2 1636590105 FSPXCTDDXXMJJV-KRWDZBQOSA-N 406.404 4.545 0 40 HJAB CC(C)(C)c1ccc(=O)n(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1 1775969685 GJRRFTDJPLHROZ-UHFFFAOYSA-N 415.537 4.685 0 40 HJAB O=C(OCCF)N1CCC([C@H]2CCCCN2Cc2ccc(Cl)cc2F)CC1 2056225932 FRJQOPKQXNSANP-LJQANCHMSA-N 400.897 4.652 0 40 HJAB Cc1ccc(S(=O)(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)cc1 1016812 VMZQVCXTCUVIGG-JOCHJYFZSA-N 412.461 4.813 0 40 HJAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3cccc(Cl)c3)C3CC3)cc2c1 1364842 WTIUUZVKPMDHQG-UHFFFAOYSA-N 411.889 4.777 0 40 HJAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cc(C)ccc2C)cc1 2340943 IBXNHJOAEQSKCQ-UHFFFAOYSA-N 400.478 4.768 0 40 HJAB Cc1cc(C)n(-c2nc(NCc3ccccc3)c3c4c(sc3n2)COC(C)(C)C4)n1 2390840 BJSXEUXHKPVLGP-UHFFFAOYSA-N 419.554 4.957 0 40 HJAB O=C(COc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCCC1=CCCCC1 2659595 AYHHSJVDXCRPEP-UHFFFAOYSA-N 414.509 4.591 0 40 HJAB O=C(c1cccc(OC(F)F)c1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 3421110 VIXPPUVVDTXFDA-HNNXBMFYSA-N 404.438 4.724 0 40 HJAB O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3[nH]2)cc1)c1ccco1 4536564 ODSIJJZUIUDTNU-UHFFFAOYSA-N 412.405 4.921 0 40 HJAB S=C(Nc1ccccc1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 4858903 GKSXZFFDWZKTLQ-UHFFFAOYSA-N 414.987 4.983 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc34)o2)c1 5294582 FJKCZOXUCJVCTA-UHFFFAOYSA-N 405.479 4.841 0 40 HJAB Cc1ccc(/N=c2\scc(-c3cccs3)n2CCCN2CCOCC2)cc1C 5299000 DOESSYYYPFOTAX-FCQUAONHSA-N 413.612 4.850 0 40 HJAB CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(c1cc(C)on1)C3=O 5345015 OADQGNIONILBLL-FQEVSTJZSA-N 404.397 4.541 0 40 HJAB Cn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 5856145 WBJHNHMTDWINGT-UHFFFAOYSA-N 415.950 4.559 0 40 HJAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 6155690 FSCIVJDFOMHHCF-NPPFBWRTSA-N 423.557 4.690 0 40 HJAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c(C)c1 6362190 CHJAZMGYCSDCRL-LJQANCHMSA-N 422.550 4.904 0 40 HJAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Br)cc2)N3)C1 6616574 LURPUJUSSIGFBV-MRXNPFEDSA-N 406.349 4.706 0 40 HJAB Cc1cccc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1C 6736965 YMPQBZXLDWKIMM-UHFFFAOYSA-N 413.905 4.823 0 40 HJAB C[C@H](NC[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(F)cc1 7064412 PAZCSZIUYOMGPJ-HJPURHCSSA-N 415.455 4.922 0 40 HJAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 7171811 CPANEABFFDHKDD-HNNXBMFYSA-N 404.539 4.753 0 40 HJAB COc1cc(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)cc(OC)c1 8013416 NJBADTLHEPCWCZ-UHFFFAOYSA-N 401.466 4.614 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccco1 8389109 IPQLVLASWYFRQX-UHFFFAOYSA-N 408.886 4.717 0 40 HJAB COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCCOc1ccccc1C 8571570 YRKBVFXEZBCAMG-HMMYKYKNSA-N 401.462 4.954 0 40 HJAB CCCn1nc(NS(=O)(=O)c2ccc(Cl)cc2)c2cc3ccc(C)cc3nc21 9012678 QGDNZFYOYMRCOB-UHFFFAOYSA-N 414.918 4.757 0 40 HJAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc(-c2ccco2)nc2ccccc12 10092815 AJPPHJKBHXOMNZ-UHFFFAOYSA-N 422.448 4.736 0 40 HJAB C1CCC2(CC1)OC[C@@H]([C@H]1OC3(CCCCC3)O[C@@H]1[C@H]1COC3(CCCCC3)O1)O2 11565573 WGMZNGZBEGHRHH-PLACYPQZSA-N 422.562 4.582 0 40 HJAB CC(C)C(=O)N1CCC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 12220020 JYFBEKOHCJKCSM-CYBMUJFWSA-N 422.476 4.839 0 40 HJAB O=C(Cc1csc(SCC(=O)c2ccccc2)n1)NCCC1=CCCCC1 12444136 INJPXILABYOIHB-UHFFFAOYSA-N 400.569 4.667 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)c(C)c1 12493073 JDETXFMDMBVZTG-MKMNVTDBSA-N 424.497 4.895 0 40 HJAB COc1ccc(NC(=O)CSCc2ccccc2Br)cc1Cl 12567991 UAOSWPROUMARSD-UHFFFAOYSA-N 400.725 4.983 0 40 HJAB O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12973781 RFLRRGPVHCEANS-JRUMVTRASA-N 404.913 4.625 0 40 HJAB Cc1cc(Br)ccc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 13005315 REMWKQBVMIFOCV-UHFFFAOYSA-N 416.319 4.640 0 40 HJAB CC[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(C)cc1 14240549 WZESFDKUGHQQNM-IBGZPJMESA-N 405.464 4.893 0 40 HJAB COc1cccc(-c2[nH]ncc2CN[C@@H](Cc2ccsc2)c2ncccc2C)c1 19237654 RZTYIBQOPANVHB-NRFANRHFSA-N 404.539 4.924 0 40 HJAB COc1ccc([C@@H]2CN(C(=O)C3CCC3)[C@H]3CCN(CC4CCCCC4)C[C@H]32)cc1 19557301 XNFOGWZCSCJOAP-SDHOMARFSA-N 410.602 4.692 0 40 HJAB COCCc1ncc(CN2CCC[C@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)cn1 19691926 MPZJXKKQPFZYNY-VWLOTQADSA-N 416.569 4.605 0 40 HJAB O=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)c1cccc(F)c1 20716179 MRXGQYPALAHJBK-UHFFFAOYSA-N 400.457 4.838 0 40 HJAB O=C(CSc1nccn1C1CC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 21831485 ZGLLGUMTALNXTF-UHFFFAOYSA-N 424.492 4.958 0 40 HJAB CCOc1cc(CNCCc2ccc(OC)cc2)cc(Br)c1OCC 22074650 NZEFSJNOFVWOKN-UHFFFAOYSA-N 408.336 4.587 0 40 HJAB COc1ccccc1CN(Cc1cccs1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 30476520 LLWIAFBFOAUMRF-LJQANCHMSA-N 424.497 4.551 0 40 HJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 32854634 QYWNHVJNOXIKEG-OAHLLOKOSA-N 412.873 4.577 0 40 HJAB CC[C@@H](NC(=O)CCNC(=O)c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 32983838 MAIJFJINULTSNB-LZGZYFLISA-N 402.966 4.571 0 40 HJAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(I)cc2)c1 34921359 HOFCOXNXZOSDHV-UHFFFAOYSA-N 422.266 4.672 0 40 HJAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(OC(C)C)c(OC)c2)c1 36358378 PKKTUEYTEVZHFG-SFHVURJKSA-N 407.470 4.800 0 40 HJAB C[C@H]1CN(C(=O)c2cc(-c3cccs3)nc3onc(-c4ccccc4)c23)C[C@@H](C)O1 36612967 BCGNMNACTKUHSJ-GASCZTMLSA-N 419.506 4.868 0 40 HJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCN(c2ccc(O)cc2)CC1 40103283 RYHCLVVACOBUQH-UHFFFAOYSA-N 423.435 4.554 0 40 HJAB Cc1cccc(C)c1NC(=O)CNC(=O)CCCCc1ccc(Br)cc1 40129932 CRAUWEVAXSBMCG-UHFFFAOYSA-N 417.347 4.534 0 40 HJAB O=C(COc1cccc(-c2noc(Cc3ccccc3)n2)c1)Nc1ccccc1Cl 40488347 AQTQYGVJRFLNNS-UHFFFAOYSA-N 419.868 4.998 0 40 HJAB O=C(c1ccccc1)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 44915804 MNXNPNPZEABGQN-NRFANRHFSA-N 416.496 4.907 0 40 HJAB Cn1cc(-c2nc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)nc3)cs2)cn1 57265455 JPLGMDJVPRQDDI-UHFFFAOYSA-N 411.874 4.637 0 40 HJAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cc2ccccc2[nH]1 57622228 JCOHHNMKZFJSFN-UHFFFAOYSA-N 410.521 4.742 0 40 HJAB O=C(c1ccccc1OCc1ccc(F)cc1)N1CCC(Nc2cccnc2)CC1 58342300 DOVHYZAXSOVZMY-UHFFFAOYSA-N 405.473 4.516 0 40 HJAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)Nc1nc2c(s1)C(=O)CCC2 60362234 OTCNCXJRFUSGGS-FNORWQNLSA-N 400.809 4.986 0 40 HJAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C(N)=O)cc2)c(C)c1 67297172 WGEDOYINFDNZLZ-RFBIWTDZSA-N 411.461 4.633 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)CCn2nc(C)nc2C)n1 72370038 QZMQSTBNDPJIEV-HSZRJFAPSA-N 421.520 4.548 0 40 HJAB CCCc1ncc(-c2ccncc2C)c([C@H]2CCCN2C(=O)c2cc(C(C)C)no2)n1 72390626 FGCXJYDMUQSYSY-HXUWFJFHSA-N 419.529 4.888 0 40 HJAB O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc3c(c2)CCCC3)CC1 78702635 PXZXTFSDPIKSPC-UHFFFAOYSA-N 411.933 4.599 0 40 HJAB CCOc1ccc(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1 96315923 OKDWTPCTOVUPTH-HSZRJFAPSA-N 417.557 4.731 0 40 HJAB CCCc1noc(CCCC(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)n1 97000985 LEHKDGAFPXKLTR-OAQYLSRUSA-N 407.514 4.650 0 40 HJAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 101158101 CVLPMAZXXKVYIN-VSKRKVRLSA-N 418.880 4.700 0 40 HJAB C[C@H](NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103100087 QLKRCHVENNKNSU-XLSPSMHOSA-N 403.950 4.636 0 40 HJAB CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCCC[C@H]12 103405371 BPRMDKHXSGCKLD-UNMCSNQZSA-N 424.342 4.773 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 222950192 FRCFISKBRWKBBL-FQEVSTJZSA-N 412.599 4.811 0 40 HJAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 223485399 JOEHDCNISIJNHX-XMMPIXPASA-N 418.512 4.868 0 40 HJAB COc1cc(C)c(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1C(C)C 223700300 WWTPOAQJAGNDLF-UHFFFAOYSA-N 413.992 4.851 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 223780997 CFKUJABOQVXUAT-KRWDZBQOSA-N 418.990 4.766 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)cc1 224168726 QLTPFVKRIQRRMM-OAQYLSRUSA-N 408.586 4.680 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccccc1C 224375104 AWTLNDIWEOQOCR-UHFFFAOYSA-N 419.477 4.996 0 40 HJAB CCOc1cccc(N(CC)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 224629087 LNBMSGRGJYYICR-UHFFFAOYSA-N 404.315 4.616 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NC[C@@H](C)c2ccccc2)c1 225139740 GOYXDLBOKWUNQZ-OSVNEOKWSA-N 404.535 4.747 0 40 HJAB COc1ccc(-c2nc3cc(N4Cc5ccccc5C4=O)cc(C)c3o2)cc1OC 226286618 DWEDHDYAQIHFMQ-UHFFFAOYSA-N 400.434 4.981 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl 408706431 RUHBQUYPZZUDKG-GFCCVEGCSA-N 402.318 4.949 0 40 HJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OC(C)C)C2=O)c1C 409331762 PQHFMGORMMFFIB-NDENLUEZSA-N 424.522 4.766 0 40 HJAB Brc1cccc(N2CC[C@@H](CN[C@H]3CCCNc4ccccc43)C2)c1 576622725 SFGATJSDQCHCSA-KKSFZXQISA-N 400.364 4.812 0 40 HJAB O=C([C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)N1CC(OCCCc2ccccc2)C1 1137119146 VYFBINHHMWFSFB-TZIWHRDSSA-N 401.909 4.833 0 40 HJAB O=C1N(CC2CCCCC2)c2ccccc2S(=O)(=O)N1Cc1ccc(F)cc1 1889046694 ONTXKCWMNOREQM-UHFFFAOYSA-N 402.491 4.537 0 40 HJAB CC(C)(C)c1ccc(S(=O)(=O)NC(=O)c2cc(-n3cccc3)ccc2Cl)cc1 2037873664 SRCXCTVJJQOBDQ-UHFFFAOYSA-N 416.930 4.547 0 40 HJAB CCOC(=O)c1ccc(Nc2nc(-c3cc4cccc(OC)c4oc3=O)cs2)cc1 856337 DETSQZNWARLWQX-UHFFFAOYSA-N 422.462 4.845 0 40 HJAB O=C1C(Cl)=C(Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1Cl 938217 TVVOBBMYKNSTAU-UHFFFAOYSA-N 415.198 4.790 0 40 HJAB CCOC(=O)c1sc(NC(=O)c2cccc3ccccc23)c(C(=O)OCC)c1C 1966404 ZRPLVTHNWCQCKI-UHFFFAOYSA-N 411.479 4.815 0 40 HJAB Cc1ccc(/C=C2/SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1 2055944 WEYSCLRCLWXVTK-MHWRWJLKSA-N 403.301 4.863 0 40 HJAB Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)C[C@H](C(C)(C)C)CC4 2286052 LHJYJBALTBQIAY-MRXNPFEDSA-N 406.555 4.613 0 40 HJAB COc1ccc2oc(C(=O)OCC(=O)Nc3nc(C)c(Cl)cc3Cl)c(C)c2c1 2662302 KIZOJQMOODEQGX-UHFFFAOYSA-N 423.252 4.556 0 40 HJAB CCOc1ccc(-n2c(SCc3ccccc3C)nc3c(c2=O)SCC3)cc1 2719914 FWELLKBEXCSGAQ-UHFFFAOYSA-N 410.564 4.880 0 40 HJAB CCOc1ccc(-n2c(SCc3cccc(C)c3)nc3c(c2=O)SCC3)cc1 2719916 UUQNXLHLRKZUBP-UHFFFAOYSA-N 410.564 4.880 0 40 HJAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 2767827 OENBRSLSVSGSTI-CVEARBPZSA-N 415.511 4.648 0 40 HJAB CC(C)Oc1ccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)cc1 3283948 KWBDZXAGOFJFIG-OAHLLOKOSA-N 410.495 4.781 0 40 HJAB Cc1ccc(CNC(=O)COc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 3366158 AFFIWJFGOVSFHB-UHFFFAOYSA-N 407.470 4.501 0 40 HJAB COc1ccc(C)cc1-n1nnnc1SCc1csc(-c2ccc(C)cc2)n1 3372003 KFOPCWMZCPWIFR-UHFFFAOYSA-N 409.540 4.704 0 40 HJAB COc1ccc(CC(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)cc1 4162446 SVTIONMXZGUIMF-UHFFFAOYSA-N 400.434 4.875 0 40 HJAB CCCCN1C(=O)[C@@](O)(c2c(C)[nH]c3ccccc23)c2cc(Br)ccc21 4553716 OTIBOROKHUTHPL-NRFANRHFSA-N 413.315 4.621 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(OCC)c(OCC)c2)sc2c1CCCC2 4679388 HHSMGSQGLRACAZ-UHFFFAOYSA-N 417.527 4.853 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccoc1C 4860550 WNVUIXSOMYQJTB-UHFFFAOYSA-N 414.531 4.776 0 40 HJAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(Br)cc3)=NC2(C)C)cc1 4891656 SSWYUUAWDMIUEH-UHFFFAOYSA-N 401.329 4.766 0 40 HJAB CCOc1ccc(N2C(=O)C[C@@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1 4895091 HHPCRBUPRNZKMG-QHLVILHISA-N 418.537 4.723 0 40 HJAB COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 4931088 GGTBYVSNLZCOEO-SQJMNOBHSA-N 414.461 4.709 0 40 HJAB Cc1ccc(SCCC(=O)OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 6300541 UBZZRTVVSFDABX-OQOKOFKUSA-N 415.599 4.742 0 40 HJAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)ccc1Cl 6342298 UMZUKOLWTWGBTN-UHFFFAOYSA-N 422.912 4.638 0 40 HJAB Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 6416158 UNLMXEANJGDABD-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(CC)cc3)cc2Cl)CC1 6569701 ZDBQOMDDMNNDCW-UHFFFAOYSA-N 413.949 4.603 0 40 HJAB O=C(CSc1nc2cc(Cl)ccc2s1)c1cc2c3c(c1)CC(=O)N3CCC2 6608005 NRVNBSPGFIZWDK-UHFFFAOYSA-N 414.939 4.760 0 40 HJAB Cc1cccc(OCCOc2c(Cl)cc(/C=C3/SC(=N)NC3=O)cc2Cl)c1 6886603 LCMSOTZEKDBDNZ-MHWRWJLKSA-N 423.321 4.898 0 40 HJAB CCc1ccccc1N1C(=O)N(Cc2cccc(C)c2)c2ccccc2S1(=O)=O 6918442 DPYGHSUNTFODRX-UHFFFAOYSA-N 406.507 4.893 0 40 HJAB O=C(CSc1nc2ccccc2o1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7407309 DPYJLCWUQQZZGP-UHFFFAOYSA-N 419.510 4.544 0 40 HJAB Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(NC4CC4)s3)cc2)cc1 7577656 MBUUAVBAPCYCQP-UHFFFAOYSA-N 412.540 4.944 0 40 HJAB COc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)c1 7939592 CCKBSDQGJRNCRK-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2Cn2nc(-c3ccc(C)cc3)[nH]c2=S)c1 8151154 HFSZAAHBGGOUOV-LJQANCHMSA-N 410.543 4.728 0 40 HJAB COc1ccc([C@H]2CCCN2Cn2nc(C)n(Cc3ccccc3)c2=S)c(OC)c1 8151260 BNVVEVWIQWOYLW-OAQYLSRUSA-N 424.570 4.583 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)N[C@H](c2ccccc2)c2cccs2)o1 8277652 NNJFFYAWHBGIHZ-GOSISDBHSA-N 411.508 4.697 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(CN3CCCC3=O)cc2)cc1 8724270 CHGHASIIOJWCPB-QHCPKHFHSA-N 406.526 4.575 0 40 HJAB O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 9062150 QXQMTUJJHIYKGN-UHFFFAOYSA-N 414.490 4.639 0 40 HJAB COc1ccc(-c2noc(CN(C(=O)/C=C/c3ccccc3Cl)C(C)C)n2)cc1 9095266 DPAZDLVSFLJLCD-JLHYYAGUSA-N 411.889 4.849 0 40 HJAB c1ccc(Cn2c(SC[C@H]3COc4ccccc4O3)nnc2-c2ccco2)cc1 9990534 AYQRLVKSZFLNCO-QGZVFWFLSA-N 405.479 4.519 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3C)cc2C)cc1 10314344 FAQHNKBDWPTPBQ-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1cccc(-n2ccnc2S[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1 12520587 JYUIBJCGIUFKMK-FQEVSTJZSA-N 404.495 4.949 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)CSc1ccc(C(C)(C)C)cc1)c1ccccc1F 12535693 XBXHNPVDBUPERM-NRFANRHFSA-N 411.546 4.855 0 40 HJAB CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)CC1 12739304 IWLUSMHBTZTUTH-UHFFFAOYSA-N 411.571 4.522 0 40 HJAB Cc1ccc(C)c(OCCSc2nnc(-c3cccnc3)n2Cc2ccco2)c1 12776973 VXHZCVAQHIOZDT-UHFFFAOYSA-N 406.511 4.769 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2cccc(Cl)c2)cc1 12999619 BCJZNDYIXFGVRK-UHFFFAOYSA-N 400.935 4.618 0 40 HJAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)sc2c1CCCC2 13708527 OKPYFJLQBCTSPO-AWEZNQCLSA-N 409.507 4.973 0 40 HJAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 14086504 WXXWORPXSCHHCB-FUHWJXTLSA-N 411.546 4.662 0 40 HJAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3nccs3)n2)cc1 14152912 OVYPSNSIPLCKCR-UHFFFAOYSA-N 410.446 4.658 0 40 HJAB CCOc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 14189971 UIADDRZGGSNSRU-OFNKIYASSA-N 421.541 4.693 0 40 HJAB Cc1ccccc1NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 15945940 FZYHOHKVGDIVSB-GOSISDBHSA-N 424.522 4.581 0 40 HJAB Cc1ccc(-c2onc(C(=O)c3ccccc3)c2S(=O)(=O)c2ccccc2)cc1 16311033 NCNIGAVSZGZDJB-UHFFFAOYSA-N 403.459 4.714 0 40 HJAB COCCCNc1nc(Nc2cccc(Cl)c2)c2cnn(-c3ccccc3)c2n1 16942597 UZGSXBDWTHZAOC-UHFFFAOYSA-N 408.893 4.661 0 40 HJAB CCOc1ccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1Cl 17092446 DWBWBTCZXITRPE-UHFFFAOYSA-N 420.852 4.792 0 40 HJAB Cc1cccc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 20610654 DALFQVBVFPIHIY-UHFFFAOYSA-N 400.482 4.870 0 40 HJAB Cc1cnc2c(S(=O)(=O)Oc3ccc(-c4csc(C)n4)cc3F)cccc2c1 30519400 AFXVEHCBYPCVDL-UHFFFAOYSA-N 414.483 4.882 0 40 HJAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 32988923 DTYSSMCNKZHZNU-QHCPKHFHSA-N 404.535 4.926 0 40 HJAB COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(F)cc2)OC3=O)c(OC)c1 33026912 MOKOFXKYCSWQRH-OAQYLSRUSA-N 421.424 4.549 0 40 HJAB CC1(C)C[C@@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)C1 36351197 UAENYAGEVSRORJ-ASUYLVSUSA-N 405.336 4.957 0 40 HJAB Cc1ccc([C@@](O)(CCNC(=O)N[C@H](C)c2cc3ccccc3o2)C(F)(F)F)o1 36744407 LVHNYGCQZGVMKX-YJYMSZOUSA-N 410.392 4.535 0 40 HJAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 38860713 ZZMFSUUYHSYUPW-UHFFFAOYSA-N 404.695 4.908 0 40 HJAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)cc1F 40079654 AGXMMDIALPGLMN-YJJOXIQCSA-N 406.457 4.699 0 40 HJAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 40103813 KICPEGCPSAFLHX-OAHLLOKOSA-N 421.372 4.936 0 40 HJAB CC[C@@H](NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1)c1ccc(OC)c(OC)c1 44856872 IEYUBCLSROTVNP-PGRDOPGGSA-N 410.558 4.817 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cc3cc(OC)cc(OC)c3[nH]2)cc1 48299029 MQUIJYBGAGIXDX-NRFANRHFSA-N 408.498 4.951 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc2C)c1C 55593307 CCWJXBCDLQDJKG-OKILXGFUSA-N 409.530 4.513 0 40 HJAB Cc1c(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)[nH]c2c1C(=O)CCC2 57624918 YOMKATCWTKNFBR-CXSBNTHRSA-N 410.517 4.869 0 40 HJAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(N2CCCCCC2)nc1 58131124 RDCPCYRAEWVFEY-UHFFFAOYSA-N 408.933 4.902 0 40 HJAB CC(=O)c1ccc(N2CCN(Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)CC2)cc1 58158790 MJLVELMVYYVTLN-UHFFFAOYSA-N 418.537 4.750 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(OC)c2OC)cc1 67197129 GSLYBNOVVGWYFI-SQJMNOBHSA-N 416.477 4.955 0 40 HJAB CC[C@@H](C)n1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2ccsc2c1=O 67335171 NSDLXVVSDQBNCG-CQSZACIVSA-N 401.557 4.777 0 40 HJAB COc1cccc(-c2noc(N3CC=C(c4c[nH]c5ccc(OC)cc45)CC3)n2)c1 72301812 JYALYBKQTDZYPT-UHFFFAOYSA-N 402.454 4.529 0 40 HJAB CCN(CCCNc1c(C)c(C)nc2cc(C3CCOCC3)nn12)Cc1ccccc1 72337426 PDMCKLRPOPADJO-UHFFFAOYSA-N 421.589 4.564 0 40 HJAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1 72354040 USIPSORLJWLGID-LJQANCHMSA-N 409.530 4.905 0 40 HJAB c1cnc2ccc(CN3CCCC[C@H]3c3ccnc(Nc4nccs4)n3)cc2c1 72377995 GTNFVYIIMFNSEP-FQEVSTJZSA-N 402.527 4.952 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCc1csc(-c2ccccc2)n1 95409572 HXPOZTGPIVKPGF-UHFFFAOYSA-N 422.941 4.930 0 40 HJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3cccnc3)CC2)on1 100743792 FQFYKRKBULKJSV-HDICACEKSA-N 419.529 4.662 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 102441399 PKRMZTFBEZPGQU-GAAJCNLQSA-N 408.546 4.518 0 40 HJAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 105667555 ACCXDKAAHJDGGE-OFQRWUPVSA-N 410.445 4.572 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@@]21C 118915905 HSVJCMLFGCXOCJ-NVCLLROFSA-N 402.575 4.935 0 40 HJAB CN1CCC(Oc2ccc(NC(=O)c3ccc(CN4CCCCCC4)cc3)cc2)CC1 219965612 FIAMEYJNLOVTAL-UHFFFAOYSA-N 421.585 4.788 0 40 HJAB COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)c1 222857250 QAPLYCLYJYNOKE-SFTDATJTSA-N 421.522 4.509 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 223937929 NCWRCEKDENROGB-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CCN(c1ccc(Br)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224929564 YVHIIQPBGHSHME-UHFFFAOYSA-N 409.132 4.971 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1C 225072599 SYPIPIMWZMSUBH-QFIPXVFZSA-N 412.599 4.562 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 225666660 XMHACKUXHFLTBX-HRAATJIYSA-N 418.940 4.744 0 40 HJAB Cc1cnccc1-c1c[nH]nc1-c1ccc(CNC(=O)c2ccc(F)c(F)c2)cc1 257233451 GPHSGNQUHXNAMZ-UHFFFAOYSA-N 404.420 4.655 0 40 HJAB O=C(Nc1cccnc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704145 KDDUMKNKRMJJEI-QFIPXVFZSA-N 423.925 4.762 0 40 HJAB CCOc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)c2)cc1 408721091 CSHNHNNQUUQSKK-NLFFAJNJSA-N 420.509 4.653 0 40 HJAB COc1ccc(Cl)cc1C1=N/C(=C\c2ccccc2OC(=O)c2ccco2)C(=O)O1 409192843 FXKHDRQSJKLIEW-WJDWOHSUSA-N 423.808 4.505 0 40 HJAB C[C@H](Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)C(=O)NC(C)(C)C 520124752 COGYKWWWBPIYCR-HNNXBMFYSA-N 413.949 4.535 0 40 HJAB Cc1cc(C)c(-n2nnnc2[C@@H](NCCc2c[nH]c3ccccc23)C(C)C)c(C)c1 575443881 QSGZHKGURZIPDG-QFIPXVFZSA-N 402.546 4.598 0 40 HJAB CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)Nc2c(F)cccc2F)C1 1889201591 RAYPDVJAGAHTJH-GFCCVEGCSA-N 414.378 4.511 0 40 HJAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccc(Br)cc1 850364 UGCXCZFXWSAJMM-UHFFFAOYSA-N 424.707 4.883 0 40 HJAB COc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccc2OC)c1 862852 VCTHPOUYKNQZFS-IZHYLOQSSA-N 416.433 4.640 0 40 HJAB Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)cs1 1056727 SCJADFLSJSQJSG-UHFFFAOYSA-N 409.330 4.682 0 40 HJAB OC1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1 1341396 NGSZZXRIMZWDOW-UHFFFAOYSA-N 404.901 4.678 0 40 HJAB COc1cc(-c2nnc(N(C(=O)C3CCCCC3)C(C)C)s2)cc(OC)c1OC 1345700 FCGXYKBWSLUWRS-UHFFFAOYSA-N 419.547 4.553 0 40 HJAB COC(=O)c1c(NC(=O)COc2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](C)C2 1808615 RKBYUOYPSJSRAJ-AWEZNQCLSA-N 415.555 4.975 0 40 HJAB CCc1cc(=O)oc2cc(C)cc(OC(=O)CCCCCNC(=O)OC(C)(C)C)c12 2150513 CPSWKUPNVVILCS-UHFFFAOYSA-N 417.502 4.654 0 40 HJAB biogenic O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1)c1ccc(Cl)cc1 3104102 KBHIERLFMWUFRO-UHFFFAOYSA-N 410.886 4.828 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 3246273 LKFCRWUZNGVDIW-GOSISDBHSA-N 401.462 4.669 0 40 HJAB Cc1cc(C(=O)COc2ccccc2C(=O)NCc2ccccc2)c(C)n1C1CC1 3430351 UFJNILAKYGHTKV-UHFFFAOYSA-N 402.494 4.632 0 40 HJAB O=C1[C@H]([C@H](O)c2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1c1ccccc1 3849068 QWZJUFPQEBQGRT-ZIAGYGMSSA-N 403.187 4.608 0 40 HJAB biogenic COc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1OC 4129378 SXMPMJHBPQHEIS-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(OCc4ccccc4)cc3)oc2c1 6305054 PCKBUFGYXIZQFS-UHFFFAOYSA-N 401.422 4.618 0 40 HJAB CCCOc1cccc(C(=O)Nc2cc(-c3nn4c(CC)nnc4s3)ccc2C)c1 6415451 XEUAOSGDZMOPMM-UHFFFAOYSA-N 421.526 4.765 0 40 HJAB CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1 6732805 BJGLAWJOOIFBHD-IBGZPJMESA-N 402.475 4.870 0 40 HJAB COCCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1ccc(Cl)cc1 6743320 LTBAPOKHFOZDEH-FQEVSTJZSA-N 411.885 4.645 0 40 HJAB CCN(CC)C(=O)[C@H](Sc1nnc2cc(C)c3ccccc3n12)c1ccccc1 6977627 HMABVCGWMOFKRR-OAQYLSRUSA-N 404.539 4.893 0 40 HJAB CCN(CC)C(=O)[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 7112710 TXUVPMMGQPUDEN-OAQYLSRUSA-N 420.582 4.906 0 40 HJAB O=C(COc1ncnc2scc(-c3ccccc3)c12)NCc1ccc(Cl)cc1 7141445 MUEVQTAMZWUPSK-UHFFFAOYSA-N 409.898 4.707 0 40 HJAB COc1ccc(CNCc2cc(Br)cc(Br)c2OC)cc1 7538603 YSDKHHJQVZXWKL-UHFFFAOYSA-N 415.125 4.519 0 40 HJAB C[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21 7547036 RLYAQZROVKOBFV-UWJYYQICSA-N 415.562 4.929 0 40 HJAB O=C(COc1ccc(F)c(Cl)c1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 8193840 WJVZXWIAGLBVAL-MRXNPFEDSA-N 404.850 4.890 0 40 HJAB C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)NC(c1ccccc1)c1ccccc1 8340296 QRQNXTHKFOYDBF-SFHVURJKSA-N 402.494 4.554 0 40 HJAB O=C(Nc1ccc(Cl)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 8379394 IPSNPMOATOQKAG-NRFANRHFSA-N 412.898 4.960 0 40 HJAB Cc1cccc(-c2nnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)n2C(C)C)c1 8880441 OATBNPAIPCXFPM-OAHLLOKOSA-N 405.527 4.924 0 40 HJAB COc1ccc(-c2noc(CN(C(=O)Nc3ccc(Cl)cc3)C(C)C)n2)cc1 9201048 UYTYKVVBQQWZNA-UHFFFAOYSA-N 400.866 4.841 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)n2C)cc1 9512238 QRZKPPFAGDWUQU-QGZVFWFLSA-N 420.582 4.639 0 40 HJAB COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc(OC)c1OC 9540383 WZKHTJMKRCRAIZ-UHFFFAOYSA-N 424.522 4.967 0 40 HJAB COc1cccc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@@H]2c2ccc(C)cc2)c1 10059794 TZTTUFFGQPGCOK-RPWUZVMVSA-N 424.504 4.976 0 40 HJAB O=c1nc(SCc2ccc(Cl)c(Cl)c2)c2c(n1C[C@@H]1CCCO1)CCC2 10255430 LVPJJUVOBBDOPQ-ZDUSSCGKSA-N 411.354 4.510 0 40 HJAB CSc1ccccc1NC(=O)CCc1csc(NC(=O)c2cccs2)n1 11835207 JWPJHXPUNSYFPD-UHFFFAOYSA-N 403.554 4.750 0 40 HJAB Cc1ccc(-c2nc(C)sc2CC(=O)N2CCCC[C@H]2CN2CCCC2)c(C)c1 12238223 BZMGSNJNVBOIKX-FQEVSTJZSA-N 411.615 4.755 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)c1 12674524 SZIXCRUXBFLULK-UHFFFAOYSA-N 423.416 4.707 0 40 HJAB Cc1nn(C)c2ncc(NC(=O)c3ccccc3OCc3ccc(Cl)cc3)cc12 12819868 PRKSOPJDOKDFFI-UHFFFAOYSA-N 406.873 4.761 0 40 HJAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(OC(F)F)cc1 12921185 FBHQXYWRFYGQQT-LJQANCHMSA-N 420.506 4.997 0 40 HJAB COc1ccc(-c2c(C)oc3c(C)c(OCCN4CCCCC4)ccc3c2=O)cc1 13628083 NMYBNDCDJBJWRB-UHFFFAOYSA-N 407.510 4.950 0 40 HJAB biogenic Cc1cccc(CNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 13669832 IZLXHGBWHPYRPA-VWLOTQADSA-N 416.546 4.699 0 40 HJAB FC(F)(F)c1cccc(-c2nnn(CCOc3cc(Cl)ccc3Cl)n2)c1 14128797 OVRWHSZOHFFLSS-UHFFFAOYSA-N 403.191 4.745 0 40 HJAB COCc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1 14940118 GDTJBHKGRZBJEA-UHFFFAOYSA-N 424.522 4.503 0 40 HJAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCc3nnc(-c4ccccc4)o3)c2)o1 17088103 YLIVIEPTJTZMSK-UHFFFAOYSA-N 408.797 4.820 0 40 HJAB CCCc1cc(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cs1 19525246 CHRQTTFADGRJFI-HXUWFJFHSA-N 421.570 4.596 0 40 HJAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)Cn3nc(C)c(C)c3C)CC2)n1 19691433 FLQRYIWTEKGXRV-UHFFFAOYSA-N 402.542 4.585 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2C)c(C)c1 20038472 WWAIVFJLLDDWCJ-UHFFFAOYSA-N 414.571 4.817 0 40 HJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cccc(Cl)c1 20151841 JELFBNMLWCUKDG-UHFFFAOYSA-N 400.887 4.528 0 40 HJAB COc1ccc(C(=O)OC2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 20219074 MDAXMXGTGSDSPX-UHFFFAOYSA-N 414.811 4.588 0 40 HJAB Cc1ccc(C(=O)N(C)C2CCCCC2)cc1S(=O)(=O)Nc1cccc(C)c1C 20483308 CCKJSVSHDWDROI-UHFFFAOYSA-N 414.571 4.817 0 40 HJAB O=C1Nc2ccccc2CC[C@H]1Sc1nnc(-c2cccc(Br)c2)o1 20734491 WAHKOQHHXCCGBN-OAHLLOKOSA-N 416.300 4.545 0 40 HJAB Cc1ccc(-c2csc3ncc(C(=O)Nc4cccc(Cl)c4C)c(=O)n23)cc1 20768087 ZKGWGTNGORNTGL-UHFFFAOYSA-N 409.898 4.946 0 40 HJAB O=C([C@@H](Sc1nnc(NC2CCCCC2)s1)c1ccccc1)N1CCCC1 22357404 NTGLDVPJGTXUBB-KRWDZBQOSA-N 402.589 4.739 0 40 HJAB COc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 22490958 DDSITFQXNCKUEI-UHFFFAOYSA-N 422.916 4.661 0 40 HJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 22519550 VZMZGCXWYJDBOY-QHCPKHFHSA-N 408.929 4.999 0 40 HJAB COc1ccc(CNc2c(S(=O)(=O)c3ccccc3)cnc3ccc(F)cc23)cc1 22574237 DSIGCUAMLGVTKL-UHFFFAOYSA-N 422.481 4.827 0 40 HJAB COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCC(C)CC2)c1 22852436 BOIDSQFTZDIFON-GOSISDBHSA-N 424.526 4.586 0 40 HJAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 25607187 VRQPVPPMFAPGRO-LJQANCHMSA-N 423.563 4.505 0 40 HJAB CCCN(Cc1nc(O)c2oc3ccccc3c2n1)Cc1nnc(-c2cccs2)o1 26873186 MJFGTZYSINRBEF-UHFFFAOYSA-N 421.482 4.605 0 40 HJAB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C)c1ccccc1 30755741 INGOGYSNFAJAJT-NRFANRHFSA-N 408.523 4.677 0 40 HJAB O=C(c1ccco1)N1N=C(C2CC2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 32608434 OJPPYCQEWQPZLO-QGZVFWFLSA-N 423.856 4.606 0 40 HJAB C[C@H](NC(=O)CN(Cc1cccs1)Cc1cccs1)c1ccc(F)cc1F 32775754 KVYOSAIMGQEDSD-AWEZNQCLSA-N 406.523 4.967 0 40 HJAB COc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3C)n2)cc1 33325047 KMLMQPHVRBYWTM-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc2c(c1)Cc1ccccc1-2 35183218 IMBBKSPYJGDJDS-UHFFFAOYSA-N 417.505 4.619 0 40 HJAB COc1nn(C)cc1C(=O)N(Cc1ccccc1)c1nc2c(C)cc(C)cc2s1 36712099 JUEULEMZCOYBCG-UHFFFAOYSA-N 406.511 4.502 0 40 HJAB COc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1OC 38834964 BRXXBONUGCUIRO-UHFFFAOYSA-N 423.340 4.861 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)NCc2ccc(COC(C)C)cc2)no1 40122268 IRIVDLIPCAWCTP-UHFFFAOYSA-N 411.527 4.525 0 40 HJAB Cc1sc(=O)n(CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)c1-c1ccc(F)cc1 40131655 QRFWSYASYNTCHW-HXUWFJFHSA-N 416.493 4.677 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 44842062 JPOADSSIAPINIK-IBGZPJMESA-N 422.550 4.904 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1OCC 44900262 DVTCRGIAKZMHBH-OXQOHEQNSA-N 401.503 4.527 0 40 HJAB Cc1nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccn2)n1 49007152 WJLYGIRTXDYAJT-UHFFFAOYSA-N 404.417 4.597 0 40 HJAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccccc1Br 51364523 IXSXRPUSWOOGKU-HNNXBMFYSA-N 409.283 4.608 0 40 HJAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)cc2)n1 55148934 WVNOPARQOGCBFM-UHFFFAOYSA-N 406.511 4.652 0 40 HJAB Cc1cccc(N(C)C(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)c1 57426062 RYICWOVXVIWSKM-UHFFFAOYSA-N 415.584 4.568 0 40 HJAB CCc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C)c(-c2cccc(Cl)c2)n1 57527632 FEXQRGUITKAQFX-UHFFFAOYSA-N 416.308 4.727 0 40 HJAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)c1 59179606 YKCDJJRYGOCHBA-UHFFFAOYSA-N 415.490 4.950 0 40 HJAB Cc1ccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccccc2Cl)cc1 59502219 SYMNHFBKPVBPIS-UHFFFAOYSA-N 404.853 4.549 0 40 HJAB Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)/C=C/c2ccccc2)cc1C 59502324 KDXLTIXQGRSPLM-FYWRMAATSA-N 410.473 4.604 0 40 HJAB Cc1ccc(-c2nnc(Cc3nc(-c4cccc(Br)c4)no3)o2)cc1C 65185469 YBSKJESUHJGVSD-UHFFFAOYSA-N 411.259 4.757 0 40 HJAB COc1ccccc1CN1CCC[C@H]([C@H](NC(=O)c2cccs2)c2ccccn2)C1 72330408 BFNRFIIFQPRIMC-CVDCTZTESA-N 421.566 4.535 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 77099920 ZAUKEQYLGLGUMQ-IBGZPJMESA-N 412.537 4.527 0 40 HJAB CCOc1ccc(-c2nc(C)c(C(=O)NCc3ccn(C4CCCC4)n3)s2)cc1 84809402 OMKPXGNICQZJFR-UHFFFAOYSA-N 410.543 4.759 0 40 HJAB COc1cccc(C(=O)c2coc3ccc(OCC(=O)Nc4ccccc4F)cc23)c1 96101419 LEMRBIBCBFTUEZ-UHFFFAOYSA-N 419.408 4.829 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4C)[C@H]3C2=O)c(C)c1 101220829 HFOLDOQWPQYRAR-SMIHKQSGSA-N 412.489 4.663 0 40 HJAB C[C@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 195529618 BHIBQOONCFCENX-KSZKVXGTSA-N 401.522 4.510 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219324863 QOCZMFBEICVLEC-OALUTQOASA-N 403.906 4.925 0 40 HJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 223554246 VNXNUKWJNGKDOQ-IBGZPJMESA-N 414.977 4.649 0 40 HJAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 224395255 BLEHLTUTBJBXAM-FCHUYYIVSA-N 418.497 4.841 0 40 HJAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc(OC)cc1 224605366 NRSKKECDQMOIAG-UHFFFAOYSA-N 409.457 4.742 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1cccc3c1CCCC3)CC(C)(C)O2 224960952 FHUZNWRZEHQQTM-IERDGZPVSA-N 409.526 4.760 0 40 HJAB COc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225583133 IQLAYQUEKMPZQH-OAHLLOKOSA-N 404.913 4.577 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 225661747 OWJRSIVJODUQAW-XXBNENTESA-N 412.549 4.707 0 40 HJAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@](OC(C)=O)(C(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253617342 SBWDYFUYGAMEGM-GXAPIWIVSA-N 418.574 4.852 0 40 HJAB CC(=O)Nc1ccc(CN2CC[C@H]3O[C@H]4c5ccccc5OC(C)(C)[C@@H]4C[C@H]32)cc1 257311551 UJZVFLOXEZKQFN-KOVSNXQUSA-N 406.526 4.537 0 40 HJAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccccc3C)c2)c1 260565354 MSKWZITWJJVBTG-LJQANCHMSA-N 422.550 4.620 0 40 HJAB CCCCOc1cccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)c1 408573273 NKSBRQHSDHLALW-UHFFFAOYSA-N 407.499 4.592 0 40 HJAB CN1CCN(c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2Cl)CC1 408629149 MARKDUQIKLOAGC-UHFFFAOYSA-N 401.982 4.637 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c1 408629372 ZPVKCYQUYZZROT-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)Nc4cccc(Cl)c4C)c3)C(=O)[C@H]21 408673271 RARYLXFQLYSEGB-AXNOTKAXSA-N 420.896 4.602 0 40 HJAB O=C1Nc2ccccc2S/C1=C\c1cc(Br)c(Br)o1 409102733 TWJJHMBEQNBJNX-WDZFZDKYSA-N 401.079 4.890 0 40 HJAB COc1cc(C)ccc1O[C@H](C)C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 575620833 TTWCKJBBAIXMRX-QGZVFWFLSA-N 405.498 4.609 0 40 HJAB CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(Cc4ccccc4C(=O)O)C[C@@H]3C[C@@H]21 585262352 VDTQKWVBCDJOIJ-RBPBXQJFSA-N 407.510 4.524 0 40 HJAB COc1cccc(-c2ccc3c(N)c(C(=O)NCc4ccc(C)cc4)sc3n2)c1 661330 SRHWBYPWNNCQJS-UHFFFAOYSA-N 403.507 4.793 0 40 HJAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1cccc(OC)c1 685852 MRDKJPCLTSBWLG-UHFFFAOYSA-N 411.479 4.861 0 40 HJAB O=C(Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1)c1cccs1 1363079 RCUUBSOTUITDDK-UHFFFAOYSA-N 401.491 4.636 0 40 HJAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccc2c(c1)OCO2 1586165 FEAQIUCQIJSOBS-UHFFFAOYSA-N 404.344 4.903 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2C)c(C)n1Cc1ccco1 2618719 DOCBYZPEXGIJFH-UHFFFAOYSA-N 406.511 4.517 0 40 HJAB Cc1cc(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c(C)n1C 2628107 HUYRQWWIOBXRLD-UHFFFAOYSA-N 409.869 4.566 0 40 HJAB CC(C)(C)c1ccccc1NC(=O)COc1ncnc2ccc(Br)cc12 2635717 CZNCPRJIIAMLBS-UHFFFAOYSA-N 414.303 4.707 0 40 HJAB OCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 2714513 CWEWHQHTSFSGOL-UHFFFAOYSA-N 423.314 4.644 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3ccccc3s2)cc1 3154337 HDUWZNJSNFHWOI-UHFFFAOYSA-N 423.519 4.658 0 40 HJAB Cn1c([C@@H]2Sc3ccccc3NC2=O)ccc1[C@@H]1Sc2ccccc2NC1=O 3353371 YVYPZZKMPZYZJS-OALUTQOASA-N 407.520 4.596 0 40 HJAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)NCc1ccco1 3528760 YTCARPGDXISRSK-UHFFFAOYSA-N 405.888 4.606 0 40 HJAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 3605417 NYPJNSDGYYVXNI-HNNXBMFYSA-N 415.609 4.893 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2nc3ccc(C)cc3nc2Nc2ccccc2)cc1 3660126 FQCZFCSTVFTJNJ-UHFFFAOYSA-N 404.495 4.791 0 40 HJAB O=CNC1(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)CCCCC1 4547566 YOUTUFCBIKSMKI-LJQANCHMSA-N 405.325 4.648 0 40 HJAB COc1ccccc1[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccccc2)c2ncnn21 4816910 JOWJCHUXLVORPK-FGZHOGPDSA-N 410.477 4.668 0 40 HJAB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)cc2)N(c2ccccc2)C3=O)cc1 4888941 OVQYAMRKGIIDTM-XMMPIXPASA-N 411.461 4.844 0 40 HJAB CCc1nnc(NC(=O)c2c(C)c(-c3ccc(OC)cc3)nc3ccccc23)s1 5477473 ZSOWZMDCBMZQNI-UHFFFAOYSA-N 404.495 4.885 0 40 HJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccccc2)cc1 5507881 OQKLMDPTSTUSQQ-OAHLLOKOSA-N 409.869 4.986 0 40 HJAB COc1ccc(OC)c(NC(=O)Cc2c(C)c3c(cc(C)c4c(C)coc43)oc2=O)c1 6624638 IGPOTLUZDIGQPI-UHFFFAOYSA-N 421.449 4.663 0 40 HJAB biogenic CCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 6706731 ONIMMOAWDSDQHF-HNNXBMFYSA-N 408.951 4.676 0 40 HJAB Cc1nc(N2CCN(c3ccc(O)cc3)CC2)c2c(-c3ccccc3)csc2n1 8147017 PLWYWSZDHHAGSP-UHFFFAOYSA-N 402.523 4.699 0 40 HJAB Cc1ccc(Nc2nc(CSc3nnc(-c4ccccc4F)n3N)cs2)cc1 8393926 CLGJMJNXAFGHHL-UHFFFAOYSA-N 412.519 4.599 0 40 HJAB COc1ccc([C@H](NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c2nccn2C)cc1 12547729 IEXZRDGHJZSDEB-SFTDATJTSA-N 411.933 4.728 0 40 HJAB CCCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1OC 12604137 XPGMXTFDLZMGBZ-RPAADVPWSA-N 405.498 4.737 0 40 HJAB COc1ccc2c(C)c(CCC(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)oc2c1 12606184 ZWJMKVQHMXCYID-UHFFFAOYSA-N 421.371 4.580 0 40 HJAB COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 12637262 YIRHCVJUFIQXHC-GOSISDBHSA-N 415.468 4.753 0 40 HJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(OC(F)(F)F)cc1 12910531 MAWHYUROTNIKDG-UHFFFAOYSA-N 407.219 4.963 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N(Cc1ccc(F)cc1)C1CC1 12994176 NEDOPUHASBLNGT-UHFFFAOYSA-N 407.816 4.851 0 40 HJAB CC[C@@H](NC(=O)CCc1c(C)nc(SC)nc1C)c1ccc(Br)cc1 13001195 FDNVLESAURDDBD-QGZVFWFLSA-N 422.392 4.778 0 40 HJAB O=C(Nc1nc2ccccc2s1)c1cccn(Cc2c(F)cccc2Cl)c1=O 15882798 ZTFBQBNTPXGQGK-UHFFFAOYSA-N 413.861 4.551 0 40 HJAB Cc1cc(C)c(NC(=O)[C@]2(N3CCC3=O)CC[C@@H]3Cc4ccccc4C[C@@H]3C2)c(C)c1 16949541 ZTLLWPGTVMCZDW-NOTUOJBMSA-N 416.565 4.737 0 40 HJAB Cc1ccc(-c2nc3n(c2CNC(=O)c2ccc(C(F)(F)F)cc2)CCS3)cc1 17051245 UUDDHWAQIODMDS-UHFFFAOYSA-N 417.456 4.913 0 40 HJAB O=C(C1CC1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]21 19334318 CXVODLFWWWKTEO-DNVJHFABSA-N 412.936 4.706 0 40 HJAB COc1ccc(CN2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1OC 19574867 HYVQMWVWXLPKAJ-VVFCZOMOSA-N 424.467 4.545 0 40 HJAB O=C(NC1CCCCC1)c1ccc(NC(=O)c2ccccc2Br)cc1 20058259 GUKWNOBOSIRHPZ-UHFFFAOYSA-N 401.304 4.764 0 40 HJAB COc1cccc(CN(Cc2ccco2)C(=O)C2=C(c3ccccc3)SCCO2)c1 20739500 LVTDCKREUULYFK-UHFFFAOYSA-N 421.518 4.949 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)CSc2nc3ccccc3s2)cc1OC 22456976 MMVXEEUZEAJBTP-INIZCTEOSA-N 414.552 4.769 0 40 HJAB CCSc1nnc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)s1 25245380 IJEGMGJFAOFZSF-UHFFFAOYSA-N 421.551 4.814 0 40 HJAB O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(Oc2ccccc2Cl)cc1 26016098 YTUSJTKDMRPULQ-HXUWFJFHSA-N 408.841 4.861 0 40 HJAB CCn1c(=O)c2ccccc2n2c(COc3ccc(-c4ccc(C)cc4)cc3)nnc12 26776946 MDORTPPUSCHHNZ-UHFFFAOYSA-N 410.477 4.619 0 40 HJAB CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nc2ccccc2s1 27551191 AFJDBSJUXKKUHR-LJQANCHMSA-N 409.555 4.987 0 40 HJAB Cc1ccc(-c2nc(CCNC(=O)COc3ccc(Cl)c(C)c3)cs2)cc1 27990273 ANVCSDKGNFAGFV-UHFFFAOYSA-N 400.931 4.818 0 40 HJAB CCOC(=O)c1cc(Oc2ncnc3c2oc2ccccc23)cc(C(=O)OCC)c1 33010853 WRKIMGZJBCHBNV-UHFFFAOYSA-N 406.394 4.522 0 40 HJAB C[C@@H]1Cc2cc(Br)cc3c(=O)c(C(=O)NCCC4=CCCCC4)cn1c23 33089158 ZKPDRKOTKGJDKS-CYBMUJFWSA-N 415.331 4.501 0 40 HJAB O=C1COc2cc(NC(=O)c3ccc(SC(F)(F)F)cc3)c(Cl)cc2N1 33194473 ZPKOGOZLMIBAGG-UHFFFAOYSA-N 402.781 4.535 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@@]2(O)[C@@H](C)OC(C)=O)C1 39942637 COXXOOWTEWCQRW-BJRXGDIDSA-N 420.590 4.644 0 40 HJAB COc1cc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc(OC)c1OC 44838003 POSGRDBCCWVMLK-UHFFFAOYSA-N 403.438 4.508 0 40 HJAB CCOc1ccc(CNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1OCC 44905199 JEPVLAYKXMXBPH-LJQANCHMSA-N 410.558 4.646 0 40 HJAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccccc1OC[C@H]1CCCO1 48234614 JQAXQXYWJQHUMF-CRAIPNDOSA-N 403.931 4.865 0 40 HJAB CCOC(=O)C1=C(C)Nc2c(-c3ccc(Cl)cc3)cnn2[C@@H]1c1cccc(O)c1 71405479 ZUNMVGRSTNSSHX-HXUWFJFHSA-N 409.873 4.761 0 40 HJAB COc1ccccc1C(=O)Nc1c(C)cc2nc(-n3nc(C)cc3C)sc2c1C 72228915 WXFANTSMSCGZSM-UHFFFAOYSA-N 406.511 4.977 0 40 HJAB C[C@@H](C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)n1ccnc1-c1ccccc1 89598234 ZZWPSALMPPDWEQ-INIZCTEOSA-N 405.889 4.648 0 40 HJAB O=C(OC[C@H]1CCCCO1)c1cccnc1Oc1ccc(F)cc1Br 97405512 OUNXKWKGTHUVOR-CYBMUJFWSA-N 410.239 4.501 0 40 HJAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1N1C(=O)[C@H]2CCCC[C@@H]2C1=O 101593786 XQDLIZUHBWFDEL-KBPBESRZSA-N 406.313 4.535 0 40 HJAB C[C@@H](CCc1ccccc1Cl)NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1 141542278 RXOGTENIGNELTE-HNNXBMFYSA-N 422.891 4.940 0 40 HJAB Cc1cccc(CSCCNC(=O)COc2cc(C)c(Br)c(C)c2)c1 218834963 ITDVZMLIUNPDDR-UHFFFAOYSA-N 422.388 4.803 0 40 HJAB CCOC(=O)c1ccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1Cl 219864148 LKUGQCZBVWKZPB-UHFFFAOYSA-N 400.906 4.680 0 40 HJAB C[C@H](NC(=O)c1ccc(I)cc1)c1ccc2c(c1)CCCC2 222909287 JKJJAHDEIHMAFZ-ZDUSSCGKSA-N 405.279 4.661 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223363435 YCDCAPZULZGMPS-OAQYLSRUSA-N 414.977 4.995 0 40 HJAB CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(OC)c(C)c2C)c2ccccc2O1 223508559 DULWAYZIIGGKQE-GOSISDBHSA-N 403.544 4.673 0 40 HJAB Cc1ccc(C)c(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 223979436 LVDWXZUEYWVCPH-UHFFFAOYSA-N 414.549 4.671 0 40 HJAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3ccccc3OC)c2)c1 224243118 RYKJELPYSLCKAU-UHFFFAOYSA-N 423.465 4.552 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cccc(CN2CCCC2)c1 224636473 GMXRNHMQYDJQRT-JOCHJYFZSA-N 400.950 4.718 0 40 HJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225070889 WRFAMOXMZBEQDY-MRXNPFEDSA-N 421.368 4.522 0 40 HJAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225531496 XIOLWMTVEMNEEG-NRFANRHFSA-N 408.586 4.993 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C 225583538 RUTMDOFBJBFNJO-NZQKXSOJSA-N 424.585 4.713 0 40 HJAB CCCO[C@](C)(C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1)C1CC1 225672262 BWGUMYLBEUQVIQ-GLDPYIMESA-N 402.579 4.577 0 40 HJAB C[C@H]1C[C@H](C)CN(c2cc(Cl)nc(NC(=S)NCCCc3ccccc3)n2)C1 225967043 JNPICUFAMPOOJI-HOTGVXAUSA-N 418.010 4.532 0 40 HJAB Cc1cc(N)cc(Cl)c1NC(=O)c1cc(I)ccc1Cl 227146905 FJXVFUJOTTZEQP-UHFFFAOYSA-N 421.065 4.741 0 40 HJAB O=C(CC1CCCCC1)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 257284410 PCOYNSCMSBTGGP-WKILWMFISA-N 423.483 4.504 0 40 HJAB O=C(O)c1ccc(-c2ccc(CN3CCCC[C@@H]3c3nc4ccccc4[nH]3)o2)cc1O 257304316 SLAGOFNPLGHBPZ-HXUWFJFHSA-N 417.465 4.954 0 40 HJAB O=C(Cc1cc2ccccc2nc1O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 533474449 GWQVGNIPNXIIMY-UHFFFAOYSA-N 421.460 4.574 0 40 HJAB CC(=O)N1CCCCCCCN(C(=O)Cc2sc(C)nc2C)Cc2ccccc21 643553270 HFBSSCOXHGPVHD-UHFFFAOYSA-N 413.587 4.648 0 40 HJAB CC(=O)Nc1nnc(SCc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)s1 624819 RIFGHPWYOAILCN-UHFFFAOYSA-N 412.540 4.658 0 40 HJAB CCOC(=O)CSc1nc2sc3c(c2c(=O)n1CC1CCCCC1)CCCC3 994986 QLMAEMKXTMRRJU-UHFFFAOYSA-N 420.600 4.572 0 40 HJAB O=C(c1cccs1)N(CCc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 1359755 VLQNSMLLBFYOLA-UHFFFAOYSA-N 423.925 4.523 0 40 HJAB CCOC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1CCCC2 1773367 ZXLXIRZFMZFWRF-UHFFFAOYSA-N 401.528 4.910 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1 1783228 HBUUBGURVCQADK-CQSZACIVSA-N 420.303 4.812 0 40 HJAB Cc1cc(C)cc(-n2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)c1 2319796 KLUGATUMJRXPCB-UHFFFAOYSA-N 413.525 4.835 0 40 HJAB CCO/C=C/C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)/C=C/OCC)cc2)cc1 2572109 VRIYNUMNLCUSBU-YTEMWHBBSA-N 424.493 4.924 0 40 HJAB COc1ccc(C(=O)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C2CCCC2)cc1 4231055 WGCCQZAVKAZORM-UHFFFAOYSA-N 404.510 4.739 0 40 HJAB Cc1ccc(S(=O)(=O)c2nc(Cc3ccccc3)oc2N2CCCCCC2)cc1 4275669 RFYREMXMPJZTGF-UHFFFAOYSA-N 410.539 4.787 0 40 HJAB Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccc(Cl)cc1 4362175 YMCGPJBZKQBSCM-UHFFFAOYSA-N 411.289 4.659 0 40 HJAB Cc1ccc(C)c(-n2cc3c(c2-c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n3C)c1 5249613 KLCQRWQFTZDAJB-UHFFFAOYSA-N 415.537 4.609 0 40 HJAB Cc1ccc(CNC(=O)c2cnc3c(c(C)nn3-c3ccc(C)cc3)c2Cl)cc1 5314501 SYXNIRPOMLVRAP-UHFFFAOYSA-N 404.901 4.929 0 40 HJAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3ccccc3)cc2)cc1 5934677 OURKGAKOCCAXAT-QGZVFWFLSA-N 403.482 4.663 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)NC1CCCC1 6474256 FLEBVRQAOMTOJV-UHFFFAOYSA-N 402.539 4.740 0 40 HJAB Cc1sc2ncnc(N3CCC(C(=O)N4CCCc5ccccc54)CC3)c2c1C 6605651 FIRJRZYQNLCLHB-UHFFFAOYSA-N 406.555 4.504 0 40 HJAB Cc1cccc(-c2noc(CN(C(=O)COc3ccc(Cl)c(C)c3)C(C)C)n2)c1 6736987 SXNUMQBMOLLQMY-UHFFFAOYSA-N 413.905 4.823 0 40 HJAB COc1ccccc1CN(Cc1cccs1)C(=O)COc1ccc(C(C)=O)cc1 6850019 HDYZRUMPAQSMLJ-UHFFFAOYSA-N 409.507 4.567 0 40 HJAB COc1ccc2c(CC(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)coc2c1 8279826 MLXWVBKVTDFTJN-UHFFFAOYSA-N 416.481 4.608 0 40 HJAB O=C1CSc2ccc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cc2N1 12927887 HRCDXDHXFUAFCY-UHFFFAOYSA-N 402.519 4.616 0 40 HJAB CCN(CC(=O)Nc1ccc(-c2ccccc2)cc1)CC(=O)Nc1c(F)cccc1F 13016340 JYWPWENJSRGOLY-UHFFFAOYSA-N 423.463 4.531 0 40 HJAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 13999443 ZOMXIEVHXYJKBZ-IBGZPJMESA-N 402.494 4.812 0 40 HJAB CCOc1ccc(Nc2cc(C)nc3cc(-c4ccc(OC)c(OC)c4)nn23)cc1 15670892 QCCIPTYBKSBKRS-UHFFFAOYSA-N 404.470 4.864 0 40 HJAB COc1ccc(OCC(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc23)cc1 15835572 MIVQZWRFVZBWGD-QHCPKHFHSA-N 406.507 4.865 0 40 HJAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2Cl)CC1 17092107 QWVPCXUXSBAGGS-UHFFFAOYSA-N 420.340 4.694 0 40 HJAB CC(C)(C)c1ccc(OCCNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 18151245 LQXJJWYSUMCONU-UHFFFAOYSA-N 413.518 4.780 0 40 HJAB CC[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 18153415 QLMMNSJQXNKLBY-MRXNPFEDSA-N 405.464 4.627 0 40 HJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20042553 PYOKJJNUOGAENT-MOPGFXCFSA-N 407.558 4.699 0 40 HJAB CCN(C(=O)CSc1nnc(-c2ccccc2C)n1C)c1nc2ccccc2s1 20068439 WPUMVQPASFSEJI-UHFFFAOYSA-N 423.567 4.545 0 40 HJAB Cc1cccc(N2CCN(C(=O)c3sc(Nc4ccc(F)cc4)nc3C)CC2)c1C 22246109 JDKFNLNGZJYYFJ-UHFFFAOYSA-N 424.545 4.913 0 40 HJAB O=C([C@H](Sc1nnc(NC2CCCCC2)s1)c1ccccc1)N1CCCC1 22357405 NTGLDVPJGTXUBB-QGZVFWFLSA-N 402.589 4.739 0 40 HJAB O=C(Cc1cn2ccsc2n1)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 24277787 YAYNMZBGKSZJSB-OAQYLSRUSA-N 407.564 4.784 0 40 HJAB CC(C)c1noc([C@H](C)Sc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)n1 24835741 CUBKSFAZSFMWOV-ZDUSSCGKSA-N 418.954 4.881 0 40 HJAB Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@H](C)C5=C[C@@H]43)CC2)c1C 25072487 FUQREJMZEDWYJM-QTRWSZJMSA-N 422.613 4.740 0 40 HJAB CCN(CC)C(=O)[C@@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1 32739724 RRGNBUJYAQRQCI-QHCPKHFHSA-N 417.557 4.693 0 40 HJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H](NC(N)=O)c1ccccc1C 40069561 FMQBCZZXAQNKQO-MRXNPFEDSA-N 423.435 4.541 0 40 HJAB Cc1nc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)cc2)cs1 40131721 VLJZMUUKUTVJOK-UHFFFAOYSA-N 400.525 4.553 0 40 HJAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(OC(C)C)cc2)c(OC)c1 40268752 YSZMPCGGMIOTNL-SFHVURJKSA-N 407.470 4.800 0 40 HJAB CN(Cc1ccc(OC(F)(F)F)cc1)Cn1nc(-c2cccs2)[nH]c1=S 48290724 MASJYKVHRSJDFJ-UHFFFAOYSA-N 400.451 4.657 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)ccc1C(C)C 48332325 IEPTUKGOJBDBEV-JTSKRJEESA-N 409.505 4.664 0 40 HJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN[C@H](C)c2ccc(F)c(F)c2)c1 57315520 RGYNQTBPTKAGHV-MRXNPFEDSA-N 423.463 4.815 0 40 HJAB Cc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(C)n1CC(F)(F)F 65475180 WKKCLCWCTGURRR-SFHVURJKSA-N 422.447 4.806 0 40 HJAB Cc1cccnc1Nc1nccc([C@H]2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)n1 72377902 SWZSUNIUYAOPBH-SFHVURJKSA-N 421.932 4.526 0 40 HJAB Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)Cc3cccs3)CC2)c1 96183724 KJJZKPKZHRADRM-RUZDIDTESA-N 404.579 4.841 0 40 HJAB COc1ccc(Br)cc1/C=C1/CCn2c1nc1sc(C)c(C)c1c2=O 96759116 YQCIZEOOCYEVBO-WQLSENKSSA-N 417.328 4.790 0 40 HJAB O=C(Nc1nc(-c2ccccc2)ns1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 103631978 CMUSLLQCLAZTNI-NYYJTOMGSA-N 418.360 4.878 0 40 HJAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)CC(C)(C)O2 219688852 DQFUKFAUAAGNLC-KSSFIOAISA-N 418.331 4.943 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 223253087 RKFABCNEABALEC-HSZRJFAPSA-N 408.586 4.958 0 40 HJAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 223962413 USERKWVDGATFPG-YADHBBJMSA-N 419.554 4.600 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C 224153086 SUPGXGMBYCLPHH-QHCPKHFHSA-N 422.569 4.548 0 40 HJAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 224397059 OENQOAVQGWSNKX-UHFFFAOYSA-N 414.870 4.863 0 40 HJAB Cc1cc(OCC(=O)Nc2nnc(-c3ccccc3)s2)cc(C)c1Br 224607055 ZUKHCGJHEJBGIN-UHFFFAOYSA-N 418.316 4.602 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 224629586 CWDKWJQRLYXQNJ-JOCHJYFZSA-N 414.977 4.771 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 224736164 PAKUPCVLVMABGV-SFHVURJKSA-N 400.950 4.525 0 40 HJAB Cn1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1 225382008 SGKUPPATJVJYLC-XZOQPEGZSA-N 418.566 4.919 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)C 225650502 KZJZZBDCOFPJAP-INIZCTEOSA-N 421.368 4.786 0 40 HJAB COc1ccc(NC(=O)c2ccc(-c3ccc(Br)c(C)c3)o2)c(N)c1 226348608 DQCCWDIXZZCWPL-UHFFFAOYSA-N 401.260 4.861 0 40 HJAB 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]3CC[C@@]12C 253506561 GRQROVWZGGDYSW-SPOXICRASA-N 406.607 4.566 0 40 HJAB CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Cl)cc2)c(C(=O)O)s1 257232148 GJPONXHKVKZAFT-OAHLLOKOSA-N 406.935 4.795 0 40 HJAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4c(C(C)C)noc4C)CC3)o2)cn1 257249781 JJSOWNAAFPJEGL-QAQDUYKDSA-N 423.517 4.564 0 40 HJAB CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CCCC2)CC1 257311792 ULADEKUOMIEHED-UHFFFAOYSA-N 418.581 4.831 0 40 HJAB CCCO[C@@](C)(C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1)C1CC1 260814740 MYVNTALTXNSVKF-NTKDMRAZSA-N 402.579 4.864 0 40 HJAB O=C(c1ccc2ncsc2c1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 390826232 FWKNKGTXLSJINR-UHFFFAOYSA-N 417.538 4.640 0 40 HJAB CCOc1cc(C(=S)NC[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1 408575954 OZGTYIQOHFYJOK-KRWDZBQOSA-N 405.947 4.762 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCCCCCC3)cc2)cc1 408611146 SDKOJVSTOZIWLJ-UHFFFAOYSA-N 414.571 4.663 0 40 HJAB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\S(=O)(=O)c1ccccc1 409196753 XHTZWTIUDDLDKF-FCQUAONHSA-N 406.532 4.710 0 40 HJAB Cc1ccc(NC(=O)C[C@H](C)NCCc2nc(-c3ccncc3)cs2)cc1Cl 537973167 XCGRTLYMXFENCQ-HNNXBMFYSA-N 414.962 4.716 0 40 HJAB Cc1ccc2c(c1)nc(CNC(=O)N1CCc3sccc3[C@@H]1c1cccs1)n2C 555193892 QUFFYLQFVCKWMI-OAQYLSRUSA-N 422.579 4.862 0 40 HJAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575614256 XVQPWRMDCJILSV-NRFANRHFSA-N 421.928 4.722 0 40 HJAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)C3CCCCC3)CC2)C1 643570650 MVEQIXNVAKAWJK-UHFFFAOYSA-N 412.618 4.913 0 40 HJAB COc1nc(-c2cc(C)c(N[C@@H](C)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1 1776028929 JZCREVMHGYOLRL-INIZCTEOSA-N 418.476 4.662 0 40 HJAB Cc1ccc(C(=O)CSc2nc(C(F)(F)F)cc(=O)n2-c2ccccc2)cc1 1394898 MCTLBERPVNGFMJ-UHFFFAOYSA-N 404.413 4.535 0 40 HJAB CCCCCSc1nnc2c(n1)O[C@@H](c1ccco1)N(C(C)=O)c1ccccc1-2 2094827 MOODDVQAECSCAU-FQEVSTJZSA-N 410.499 4.858 0 40 HJAB COc1ccccc1[C@@H]1C[C@H](c2ccc(C)cc2)N(C(=O)CC(C)C)c2ncnn21 4816948 LOGXBOWJCANTQK-RTWAWAEBSA-N 404.514 4.709 0 40 HJAB Cc1noc(C)c1COc1ccc(CC(=O)OCCOc2ccc(Cl)cc2)cc1 5678549 VHMPFPVTTDSVMU-UHFFFAOYSA-N 415.873 4.689 0 40 HJAB COCCN(CCOC)c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12 5702647 KJWBFSHXXDISQZ-UHFFFAOYSA-N 420.538 4.520 0 40 HJAB COc1ccc(-c2nc(CSc3nnc(-c4ccco4)o3)cs2)cc1OC 5813830 FSQUXAHLHDHWDX-UHFFFAOYSA-N 401.469 4.763 0 40 HJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1C 5861114 IDOMJGOQTTVYGD-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccccc1 6586161 GIPYIHBFJHDVSM-LLPNRZALSA-N 404.510 4.876 0 40 HJAB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)c1 6642199 ROXJCVJZPAJKGV-QYMZHNDZSA-N 421.537 4.612 0 40 HJAB CCCCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 6652899 CYBCAAXEPFHLOH-UHFFFAOYSA-N 416.587 4.535 0 40 HJAB c1ccc(Cn2c(SCc3cccc4ccccc34)nnc2N2CCOCC2)cc1 7073239 LJAGNECWQSGAIU-UHFFFAOYSA-N 416.550 4.609 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 7987308 JFNQVOXZFNVCOS-XMMPIXPASA-N 415.541 4.812 0 40 HJAB CCN(CC)c1ccc(-c2nnc(SCc3nc(-c4ccccc4)no3)n2C)cc1 8729417 HDZGUMCYKQJKEI-UHFFFAOYSA-N 420.542 4.671 0 40 HJAB CSCC[C@H](NC(=O)c1sc2ccccc2c1Cl)c1nnc2ccccn12 9129711 LADQEAUDJWEBON-ZDUSSCGKSA-N 416.959 4.822 0 40 HJAB Cc1cc(C)n2nc(SCc3cc(F)cc4c3O[C@@H](c3ccccc3)OC4)nc2n1 9282932 IJERIBSVHSKEPS-FQEVSTJZSA-N 422.485 4.780 0 40 HJAB O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12)c1cccs1 9518543 OYNPTRBLEBILDB-UHFFFAOYSA-N 420.446 4.770 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccccc1Cl 9584885 LWXDHGQHNAWPPW-ZDUSSCGKSA-N 419.959 4.814 0 40 HJAB CSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 10315237 NRHKZIMTDZWWCW-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB CCCOc1cc(Nc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)nc(C)n1 12225550 ZTWNOQKQLKGEGC-UHFFFAOYSA-N 422.485 4.587 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccncc2)N1Cc1ccccc1 12528162 UPOXIPRMEBYGQD-FQEVSTJZSA-N 402.837 4.587 0 40 HJAB CCN(CC)Cc1ccccc1CNC(=O)c1cc(C2CC2)nn1-c1ccccc1 12575913 QDSGAUZIEMCJSY-UHFFFAOYSA-N 402.542 4.522 0 40 HJAB CCOc1c(Br)cc(Cl)cc1NC(=O)[C@@H]1COc2ccccc2C1 12821058 LHSQUDFNRAKAFS-LBPRGKRZSA-N 410.695 4.691 0 40 HJAB COc1ccc(C(=O)C2CCN(Cc3csc(-c4ccc(OC)cc4)n3)CC2)cc1 12905658 CUSZEGILKYOVII-UHFFFAOYSA-N 422.550 4.922 0 40 HJAB COc1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc(Cl)c1OC(C)C 12976829 MBKKYFYWGFOODK-UHFFFAOYSA-N 402.878 4.515 0 40 HJAB Cc1cccc(-c2nnc(S)n2CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 12979841 PDBGKLAUYOBFFS-GFCCVEGCSA-N 421.353 4.726 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 13003250 QUMWUDAKSYYNPI-OAHLLOKOSA-N 400.544 4.545 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1CCCN(C(=O)c2ccoc2)C1 13011270 XFMLSPYCDTYFPK-AWEZNQCLSA-N 415.902 4.547 0 40 HJAB CCN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1cc(Cl)ccc1Cl 13041266 NZITXGPJCDPULZ-UHFFFAOYSA-N 414.720 4.546 0 40 HJAB Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4cc5ccccc5o4)C3=O)cs2)cc1 14241970 ZICVCVDSHRAOQI-HSZRJFAPSA-N 417.490 4.832 0 40 HJAB Cc1cccc(N2CCN(C(=O)CCc3ncc(-c4ccccc4Cl)o3)CC2)c1C 14288000 DQCFLWIWEVFDRO-UHFFFAOYSA-N 423.944 4.893 0 40 HJAB C[C@H](NS(=O)(=O)c1ccccc1Br)c1ccc(Cl)c(Cl)c1 16087316 MDKFOBPGJPASGB-VIFPVBQESA-N 409.132 4.795 0 40 HJAB c1ccc(OC[C@@H]2CCCO2)c(CN[C@@H](Cc2ccsc2)c2nccs2)c1 19349536 NJXPNIGAQNEPFO-OALUTQOASA-N 400.569 4.836 0 40 HJAB O=C(CC1CCCCC1)N1CCC[C@@H](c2nnc(-c3nccc4ccccc34)o2)C1 19376410 WBWZRCJCCSCVHX-LJQANCHMSA-N 404.514 4.961 0 40 HJAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCN2C(=O)Cc2ccc(C)cc2)n1 19525647 OBQAYPCKKOSQHE-OAQYLSRUSA-N 418.541 4.916 0 40 HJAB O=C(NCc1ccc(OC(F)F)cc1)c1cc(-c2ccccn2)nc2ccccc12 19601136 IUZKHJOLEXQGOO-UHFFFAOYSA-N 405.404 4.828 0 40 HJAB CCN(C(=O)CSc1nccn1Cc1ccccc1)c1nc2ccccc2s1 20071502 HOXSQNWBWUHYJP-UHFFFAOYSA-N 408.552 4.686 0 40 HJAB Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 20151558 HRCXCONWNAQSET-UHFFFAOYSA-N 400.887 4.528 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 20412222 RNLLSSPDFTZZDD-UHFFFAOYSA-N 410.539 4.865 0 40 HJAB CCCn1nc(NC(=O)c2ccc(OC)c(OC)c2)c2cc3cc(C)ccc3nc21 21596584 XMRKMZUWPOFJPS-UHFFFAOYSA-N 404.470 4.572 0 40 HJAB CCc1ccc2c(c1)SC1=N[C@@](c3ccc(OC)cc3)(C(F)(F)F)NC(=O)N12 26779943 BLGQYWQSJFRVEV-SFHVURJKSA-N 407.417 4.664 0 40 HJAB Cc1nn(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)c(C)c1Br 28304722 WWSVTXCQEMHNFF-UHFFFAOYSA-N 402.267 4.572 0 40 HJAB CCn1c(SCc2cccs2)nnc(Nc2ccc(Br)cc2)c1=O 28538340 SVWZENDTBXLKRS-UHFFFAOYSA-N 423.361 4.518 0 40 HJAB C[C@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cn1 28804133 RTSXTCFGEBMXOC-JXFKEZNVSA-N 418.928 4.965 0 40 HJAB CCN1CCN(c2ccc(NC(=O)c3nc(-c4ccc(Cl)cc4)oc3C)cc2)CC1 29798849 ZEHKSVQVQVVVQG-UHFFFAOYSA-N 424.932 4.698 0 40 HJAB COc1ccccc1OCC(=O)Nc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 32593589 IFASMSVUMPGXRU-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB C[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1cccc(Br)c1 32924577 JYTRYUMIOMGCIP-AWEZNQCLSA-N 414.303 4.699 0 40 HJAB COc1cccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1 35400318 KQJIVRFXBNIZEI-UHFFFAOYSA-N 413.452 4.596 0 40 HJAB CNC(=O)c1ccc(/C=C/C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 36391080 UHBQMFOQTMPVRG-LHHJGKSTSA-N 408.885 4.631 0 40 HJAB COCCn1c(-c2nc(C(=O)Nc3cccc(C(C)=O)c3)cs2)cc2ccccc21 38911507 QBHFVXABSXUMIG-UHFFFAOYSA-N 419.506 4.866 0 40 HJAB C[C@H](c1ccccc1Cl)N1CCN(C(=O)Nc2ccccc2N2CCCC2)CC1 40103759 ZYWVAVRMWYSRFM-GOSISDBHSA-N 412.965 4.851 0 40 HJAB CC(=O)NCc1ccc(-c2csc(NC(=O)CCc3ccc(C(C)C)cc3)n2)o1 40141620 KKCIGKUKRIIGLS-UHFFFAOYSA-N 411.527 4.734 0 40 HJAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(OC(C)C)cc2)c(OC)c1 40268754 YSZMPCGGMIOTNL-GOSISDBHSA-N 407.470 4.800 0 40 HJAB O=C(COc1ccc(Cl)cc1Br)Nc1cccc(CN2CCCC2)c1 43808804 FKNVWTUVCAQQDG-UHFFFAOYSA-N 423.738 4.716 0 40 HJAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN(Cc3ccc(F)cc3)C1)CC(C)(C)O2 44855213 FEHJMIGOEQMILR-SIKLNZKXSA-N 410.533 4.765 0 40 HJAB O=C(NCc1ccc(F)cc1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58133292 HDZRXLIXEAIBSL-UHFFFAOYSA-N 414.431 4.583 0 40 HJAB O=C(NCCC1=CCCCC1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 67261697 KZWJPOZRJKQHCN-UHFFFAOYSA-N 407.905 4.603 0 40 HJAB CC(=O)Nc1ccc(CN2CCC[C@H](c3nccnc3-c3cccc(C)c3)C2)cc1 72359046 RJUPSXLYFDWKGR-QFIPXVFZSA-N 400.526 4.790 0 40 HJAB O=C(c1ccc2ncsc2c1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77177420 DWSLLCJHILLREN-CQSZACIVSA-N 424.526 4.974 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 78388012 KKWWXMYTSVBVHK-QGZVFWFLSA-N 402.878 4.797 0 40 HJAB CN(C)c1ncccc1C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 89322858 YCFOVMHQYYIMFS-UHFFFAOYSA-N 403.269 4.894 0 40 HJAB Cc1ccc2cccc(C(=O)NC3(c4noc([C@@H]5CCCO5)n4)CCCCCC3)c2n1 89665946 CAXDIGUSGHQRJA-IBGZPJMESA-N 420.513 4.757 0 40 HJAB CC(C)CNC(=O)C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 96053519 ITIFHBASLHSISH-NRFANRHFSA-N 424.560 4.889 0 40 HJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1csc(-c2ccccc2)n1 96098420 FIXUYHUKRPEWBR-UHFFFAOYSA-N 415.474 4.858 0 40 HJAB O=C1C[C@@H](Sc2ncc(C(F)(F)F)cc2Cl)C(=O)N1c1ccc(Cl)cc1 100326196 BMTLCQHCMNAGGR-GFCCVEGCSA-N 421.227 4.831 0 40 HJAB CC(C)(C)SCCNC(=O)COc1ccc(C(C)(C)C)cc1Br 218880739 UIZRGEGLXKOTHO-UHFFFAOYSA-N 402.398 4.773 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 222413389 XJJPTJNUYXSMSJ-QFIPXVFZSA-N 412.599 4.728 0 40 HJAB CCCc1cc(C(=O)OCC)c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)s1 222498312 UURQRNAEFYOBCJ-NONVJHHQSA-N 419.543 4.509 0 40 HJAB COCCN(Cc1cccn1C(C)C)C(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 222560114 PAHZGTBOZSKMNV-UHFFFAOYSA-N 416.953 4.942 0 40 HJAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c(Cl)c1Cl 222928406 HXYHPAHRAFEBOW-GFCCVEGCSA-N 414.354 4.920 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 222983487 WRJLNHRPWOFHMW-HXUWFJFHSA-N 410.558 4.522 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12 223722730 CXSAPGWXAXCSOO-GOSISDBHSA-N 422.956 4.979 0 40 HJAB Cc1ccc(CN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 223814196 SERHKAJQQOJCEC-GOSISDBHSA-N 412.961 4.667 0 40 HJAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1C 223970964 APEWHVDIMFKEOQ-QFIPXVFZSA-N 408.523 4.677 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 224280429 KTEYZMMZQMDOPT-DEOSSOPVSA-N 422.569 4.548 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2OC(C)C)cc1 224563552 SLARKBZLKCAYOV-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1C 224975272 ZSROLSJNNYUNGH-UXHICEINSA-N 412.599 4.560 0 40 HJAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)n2)cc1 225466729 ZDXXAXQOWRPNIC-KRWDZBQOSA-N 423.513 4.603 0 40 HJAB O=C(Nc1nnc(-c2ccccc2)s1)C1CCN(Cc2ccc(Cl)cc2)CC1 225482658 ZLCIOBRXDYOTAH-UHFFFAOYSA-N 412.946 4.709 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 225579408 LMKDBDBMJGLUNE-URXFXBBRSA-N 408.586 4.876 0 40 HJAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 225722516 GXJBJWWOFWLPCH-UHFFFAOYSA-N 417.339 4.581 0 40 HJAB CCOc1ccccc1NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225804220 OGUUDLUJKBBNSM-UHFFFAOYSA-N 405.376 4.725 0 40 HJAB CCCCc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)[nH]n1 257275588 NPYYCLJGFCYEMX-FQEVSTJZSA-N 412.921 4.962 0 40 HJAB CC(C)c1ccc(C[C@]2(C)Cc3cc(CC(=O)N4CCC(CO)CC4)ccc3O2)cc1 257278190 OBFUTLWWNPLYGK-HHHXNRCGSA-N 421.581 4.520 0 40 HJAB CCCOC1(C(=O)Nc2ccc(OCCN3CCC[C@H](C)C3)cc2)CCCCC1 260814575 KSEANVLOFORWCB-FQEVSTJZSA-N 402.579 4.865 0 40 HJAB COc1cc(Cl)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1O 409143395 NCNYQSQZZMSVAC-GZTJUZNOSA-N 403.887 4.723 0 40 HJAB O=C(c1ccc2c(c1)CCC=C2)N1CCCN(C(=O)c2ccc3c(c2)CCC=C3)CC1 513308405 JHMUVAPQUQDYKV-UHFFFAOYSA-N 412.533 4.594 0 40 HJAB CCN1Cc2ccccc2NC2(CCN(Cc3ccc(OC(C)C)cc3)CC2)CC1=O 2037985411 JEMUSNPBKCVUSU-UHFFFAOYSA-N 421.585 4.673 0 40 HJAB Clc1ccc(-n2ncc3c2ncn2c(CCc4ccccc4)nnc32)cc1Cl 2223562 LJMBOTVKTAFQSI-UHFFFAOYSA-N 409.280 4.555 0 40 HJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)n1C 2652626 UHFAMOOAOQQQFP-UHFFFAOYSA-N 422.341 4.532 0 40 HJAB Cc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c1C 4491406 BENFQBYHPQHWGR-OAQYLSRUSA-N 407.514 4.859 0 40 HJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 4696174 NDHCFLIBRDUTKA-MRXNPFEDSA-N 403.891 4.567 0 40 HJAB CC(=O)Nc1ccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)cc1 4704057 NURVPIRYOUKANN-UHFFFAOYSA-N 414.505 4.913 0 40 HJAB COc1ccc(OC)c(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)c1 4885503 SDYAGSTXFPJUNB-UHFFFAOYSA-N 415.921 4.583 0 40 HJAB CCCN1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)CC1 4980452 DHBOUSRHOAPHSF-UHFFFAOYSA-N 415.516 4.734 0 40 HJAB CCC(=O)Oc1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)ccc1OC 5417040 CDHNYAXZRBSGRX-AQTBWJFISA-N 407.466 4.653 0 40 HJAB COc1cccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)c1 6624506 WUFTXFWSJLYZKG-UHFFFAOYSA-N 405.450 4.963 0 40 HJAB biogenic CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3ccccc3c2)c1 6734366 UPYAMYKGBRHFBU-UHFFFAOYSA-N 416.502 4.917 0 40 HJAB Cc1ccc(NC(=O)Cc2nc(CSc3ccc4c(c3)OCCO4)cs2)cc1 6786714 APAZXKLKSOIFQW-UHFFFAOYSA-N 412.536 4.696 0 40 HJAB CC1(C)[C@@H](C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CC[C@@]1(C)C(=O)O 6829056 MHORALJDMGGTAR-QGHHPUGFSA-N 416.421 4.661 0 40 HJAB CCc1cc2c3c(c1)[C@@]1(SCC(=O)N1c1ccc(F)cc1)C(=O)N3C(C)(C)C[C@@H]2C 8215650 AXRHNUXSDKLLJH-LFPIHBKWSA-N 424.541 4.953 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)c1 8286694 AWQSSBFOIXWAMW-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1ccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2ccc(Cl)cc2)cc1 8476795 LTZOQTNRLDZGQK-UHFFFAOYSA-N 402.885 4.826 0 40 HJAB Cc1oc2cc(OCC(=O)Nc3ccncc3)ccc2c(=O)c1-c1ccc(Cl)cc1 8765335 KOAZWAFWTSVNQV-UHFFFAOYSA-N 420.852 4.834 0 40 HJAB CCC(=O)N1CCc2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2C1 9035254 OIAWPPVULGOCEK-UHFFFAOYSA-N 421.722 4.650 0 40 HJAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)c(C)c1 9052530 ULQRUXFKHDRYBG-SFHVURJKSA-N 420.534 4.696 0 40 HJAB Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)n(-c2ccccc2)n1 9597813 ROBQKTUZMSHFQJ-UHFFFAOYSA-N 423.270 4.851 0 40 HJAB O=C(CCCOc1cccc(Br)c1)NCc1ccccc1OC(F)F 10114275 QNIZVWLDRQZLHL-UHFFFAOYSA-N 414.246 4.526 0 40 HJAB CC(C)Cc1cc(-c2nnc3sc(C(C)(C)Oc4ccc(Cl)cc4)nn23)[nH]n1 12323674 UPYKRZOOXOLJHY-UHFFFAOYSA-N 416.938 4.742 0 40 HJAB C/C=C/C=C/C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 12746599 WIPAJWNNUOYITR-DSXPNFDZSA-N 411.310 4.865 0 40 HJAB COc1cc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)cc(Cl)c1OC 12942276 CNQUJIXVSRHLOY-STQMWFEESA-N 423.966 4.544 0 40 HJAB COC(=O)c1occc1CSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1 13017055 WGXIKZXWBGIRNK-HNNXBMFYSA-N 420.490 4.678 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13028917 MVAMFHQEGPHDEL-AYHJJNSGSA-N 419.612 4.788 0 40 HJAB Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCCOc2ccccc2)cc1 13055927 BTYRHVWEMPRSHK-UHFFFAOYSA-N 421.518 4.962 0 40 HJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CS(=O)(=O)c2ccccc2)o1 14426147 JGPIFZDDMXSVPH-UHFFFAOYSA-N 410.278 4.813 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1OC 16006504 UOGWEBBXAJHDQV-UHFFFAOYSA-N 419.300 4.842 0 40 HJAB CCCCOc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccn2)cc1 16639277 LDJUXWYOIJENGU-UHFFFAOYSA-N 419.481 4.530 0 40 HJAB CC(C)OCCCNc1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 17113527 AHFYQQFGFQMONQ-UHFFFAOYSA-N 420.492 4.925 0 40 HJAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 19525650 MSDNVNARYFPACS-FQEVSTJZSA-N 422.504 4.746 0 40 HJAB Fc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1 19894405 UFQPROCUVWBXIF-UHFFFAOYSA-N 416.422 4.624 0 40 HJAB O=C(O)COc1cc(NC(=O)c2ccc(F)cc2)ccc1-c1nc2ccccc2s1 20158287 CIIJYKBTIZKAFH-UHFFFAOYSA-N 422.437 4.818 0 40 HJAB CCc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCC(C)CC3)c2c1 20381685 NRJDVCJHKFGQIW-UHFFFAOYSA-N 424.566 4.875 0 40 HJAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)Nc1ccc(C(C)C)cc1 23138473 AUHYKUVAJVKMRA-UHFFFAOYSA-N 407.539 4.675 0 40 HJAB Cc1cc(C)c(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(=O)[nH]1 24186765 YFFDKNJFOHFVKH-UHFFFAOYSA-N 400.400 4.608 0 40 HJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 24460522 IKQZQNCSLDFTIO-UONOGXRCSA-N 409.313 4.658 0 40 HJAB C[C@H]1CCc2nc(NC(=O)c3ccccc3OCc3cn4ccccc4n3)sc2C1 25280201 BRIKJZSKDPTGOF-HNNXBMFYSA-N 418.522 4.747 0 40 HJAB Cc1cc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)ccc1N1CCCC1 25970750 IAAWZAQZKMYJPZ-UHFFFAOYSA-N 400.906 4.591 0 40 HJAB Clc1ccccc1-c1ccc(CN2CCN(Cc3nc(C4CC4)no3)CC2)s1 29532374 SEFWBTLIFRRCKN-UHFFFAOYSA-N 414.962 4.647 0 40 HJAB CCc1ccc(NC(=O)c2nnc(CN3CCC[C@@H]3c3ccc(OC)cc3)s2)cc1 29701294 UJACJZHHFXYCGQ-HXUWFJFHSA-N 422.554 4.699 0 40 HJAB CC(=O)N(c1nc(COc2ccc3c(C)cc(=O)oc3c2)cs1)c1ccccc1F 31680116 CHHCMANJKSQZST-UHFFFAOYSA-N 424.453 4.961 0 40 HJAB CC(=O)c1cccc(NC(=O)Nc2cnn(COc3ccc(F)cc3Cl)c2)c1 32610238 QZARFYOUAHOPLW-UHFFFAOYSA-N 402.813 4.559 0 40 HJAB COc1ccc(C)cc1NC(=O)CSc1nnc2c(n1)-c1cccc3cccc-2c13 35314483 YRVDUCMTTPEDPW-UHFFFAOYSA-N 414.490 4.720 0 40 HJAB O=C(Nc1ccccn1)[C@H]1CCCN(c2nc(-c3cccs3)nc3ccccc23)C1 40149359 ZIMORSRETYMKCX-INIZCTEOSA-N 415.522 4.608 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1csc(Br)c1 58377337 CSTXSULVQGCRRT-UHFFFAOYSA-N 407.314 4.821 0 40 HJAB CSc1nc2ccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)cc2s1 65588492 JWFJMDCSRUEZFB-INIZCTEOSA-N 414.556 4.626 0 40 HJAB CCN(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C 72214838 SPXBNWZKMKCMLU-UHFFFAOYSA-N 421.538 4.721 0 40 HJAB Cn1c(=O)oc2cc(NC(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)ccc21 84311222 SPUDIZZGMRHDJC-UHFFFAOYSA-N 419.384 4.526 0 40 HJAB O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1nc2ccccc2s1 90607129 ARNCSEZLOVVGLM-UHFFFAOYSA-N 403.511 4.600 0 40 HJAB O=C(O)[C@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104254929 NYMAXICBMAYDRR-BWNOHHBMSA-N 410.939 4.805 0 40 HJAB COc1cc(CNC(=O)c2ccccc2OCc2ccccc2)ccc1OC(C)C 218986029 MLCZMBSAFPWQPT-UHFFFAOYSA-N 405.494 4.991 0 40 HJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(OC)c(OC)c1 219348101 FGZFASJPMVLYSY-JOCHJYFZSA-N 407.510 4.763 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 223143378 DWJBADSMJJBZSZ-JOCHJYFZSA-N 414.977 4.949 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 223359954 PPLGSZLJADUEHL-FQEVSTJZSA-N 418.940 4.744 0 40 HJAB CCOc1cccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)c1 223546827 OVSQMDFUNYASFF-JCMHNJIXSA-N 420.534 4.543 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(C)cc1 224108535 LZWGFMHMKZMGRP-HSZRJFAPSA-N 422.550 4.701 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 224139148 DTVSXBQNAKQBTH-DEOSSOPVSA-N 406.570 4.794 0 40 HJAB O=C(CCCOc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 224827843 ARAWOMCZMDFSAY-UHFFFAOYSA-N 400.950 4.801 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 225014241 YWMTWNJZNYFSPX-UXHICEINSA-N 412.599 4.560 0 40 HJAB COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c(C)c1C 225023450 OWWFHIRGPSQKGS-DEOSSOPVSA-N 409.551 4.997 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 225092080 DCWDKDKUOROOGE-SJORKVTESA-N 418.940 4.662 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 225123127 IPJXWSAETNCUMG-DEOSSOPVSA-N 424.585 4.796 0 40 HJAB O=C(O)c1ccc(CN(C(=O)c2ccc3nc(Cl)sc3c2)C2CCCC2)o1 225980661 KHIWRNNBLSLNTB-UHFFFAOYSA-N 404.875 4.826 0 40 HJAB CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2c3c(cccc13)CC2 226861090 AITMIYACUGERBS-UHFFFAOYSA-N 409.507 4.632 0 40 HJAB COC(=O)CC[C@@H](C)[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[C@@]12C 253609720 BWDRDVHYVJQWBO-BCSZZZCTSA-N 406.607 4.566 0 40 HJAB COc1ccc(-c2cccc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)n2)cc1 257223406 DXFKPBUKQNVWJU-SANMLTNESA-N 411.505 4.879 0 40 HJAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)NC4CCC(O)CC4)CCOCC3)cc2)c1 257341660 ZLIFPGOWOBIEBL-UHFFFAOYSA-N 421.581 4.729 0 40 HJAB CC(C)(C)SC[C@H]1CCCCN1C(=O)[C@@H]1CCCN1c1nc2ccccc2o1 390829057 CONGLJXIRUOSQB-AEFFLSMTSA-N 401.576 4.709 0 40 HJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)Nc3ccccc3Cl)c1)C2=O 408721230 FKQHQJXBODWXSJ-QMHKHESXSA-N 410.901 4.908 0 40 HJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)S2)cc1 408783214 LEDPXYXHEKMVHI-JPFXZVHCSA-N 420.490 4.807 0 40 HJAB COc1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)O)cc1OC 408890566 VSSIGCSTMGTALU-UHFFFAOYSA-N 404.875 4.851 0 40 HJAB CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(Oc2ccccc2C)cn1 1125796611 TVFMQPWAAFLUNW-UHFFFAOYSA-N 417.509 4.546 0 40 HJAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)cc4OC)c(N)c3cc2C1 661899 JRDCOXUENSTSHW-LBPRGKRZSA-N 411.527 4.663 0 40 HJAB Cc1ccc([C@H]2C[C@H](C(F)F)n3ncc(C(=O)NCCc4ccccc4)c3N2)cc1 900793 XZEYKPPRLNWZHW-WOJBJXKFSA-N 410.468 4.527 0 40 HJAB Cc1cc2cc(C)c3nnc(SCC(=O)N4CCCc5ccccc54)n3c2cc1C 1223251 BAYBSIGWTLDREX-UHFFFAOYSA-N 416.550 4.879 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2CC)cc1 2452589 MFXRJHDWFHQEBJ-UHFFFAOYSA-N 416.934 4.748 0 40 HJAB O=C(c1cc(Cl)cc(Cl)c1)c1cccc(CN2CCC3(CC2)OCCO3)c1 2515255 FULNRELXHBQBEF-UHFFFAOYSA-N 406.309 4.563 0 40 HJAB Fc1ccccc1OCCSc1nnc(-c2cccnc2)n1-c1ccccc1F 2619719 AJLRVTWQUQJYRU-UHFFFAOYSA-N 410.449 4.779 0 40 HJAB CCOc1ccccc1NC(=O)c1cc(Br)c(Br)s1 2654288 PPVXUYXFKRPULX-UHFFFAOYSA-N 405.111 4.924 0 40 HJAB CCOC(=O)c1nnc(-c2ccc(C)cc2)nc1Oc1cccc(C(F)(F)F)c1 3049358 QHMCSXYBNCPNKZ-UHFFFAOYSA-N 403.360 4.835 0 40 HJAB O=C(/C=C/c1ccc(Br)o1)OCC(=O)c1cccc(C(F)(F)F)c1 3247077 SQMBNCQYFDQLJX-FNORWQNLSA-N 403.150 4.500 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2CC(C)C)cc1 3494851 WUVAHAYZZYXFHG-KRWDZBQOSA-N 424.570 4.579 0 40 HJAB C[C@H](C(=O)NC1CCCC1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1F 4161210 UIHNCJJWHIJCRT-QGZVFWFLSA-N 419.500 4.915 0 40 HJAB CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)c4cccs4)C2)C3)cc1 4237465 WEBHCGDJDDYKGG-DOTOQJQBSA-N 422.575 4.558 0 40 HJAB biogenic,in-vitro CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc2ccccc12 4262983 BOETXHNJCJUPCP-QFIPXVFZSA-N 417.534 4.670 0 40 HJAB CCOC(=O)c1c(CN2CCCCC2)n(-c2ccccc2)c2ccc(OC(C)=O)cc12 4499263 ASVPBMYVAAHOCK-UHFFFAOYSA-N 420.509 4.718 0 40 HJAB Cc1cc(-c2ccccc2)nc(N2CCC(C(=O)NCc3ccccc3Cl)CC2)n1 4966766 AEFJJDZOUZPKDT-UHFFFAOYSA-N 420.944 4.638 0 40 HJAB aggregator O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccc(Br)cc1 5152767 VXHNEUIEBNRFCT-LJQANCHMSA-N 411.299 4.576 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3CCCc4ccccc43)c2)cc1 5885473 NIXTUWBTEKWHOM-QHCPKHFHSA-N 420.534 4.603 0 40 HJAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)C1 6051508 BDNMGFRLQRPHTJ-QGZVFWFLSA-N 422.912 4.971 0 40 HJAB CCCCOc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 6240924 FJAPQZOQRXBQQK-UHFFFAOYSA-N 422.447 4.973 0 40 HJAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC(C)CC2)[C@H]1c1cccs1 6875758 HUKMFXZLYHHHSR-FGZHOGPDSA-N 410.583 4.943 0 40 HJAB CC(C)C(=O)Nc1sc2c(c1C(=O)OCC(=O)c1cccc(Cl)c1)CCC2 7737163 CFUTVQOAGMBHAQ-UHFFFAOYSA-N 405.903 4.524 0 40 HJAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c1 7881863 ASYHRLFUNCEEIK-GOSISDBHSA-N 416.477 4.788 0 40 HJAB Cc1ccc2[nH]c(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccco3)nc2c1 8965552 FUJFGSSBKINUAA-KRWDZBQOSA-N 422.535 4.996 0 40 HJAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1cccc(Cl)c1Cl 9436170 ZJUGSNKUBJFCRA-UHFFFAOYSA-N 421.236 4.532 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N3[C@@H](C)CCC[C@H]3C)o2)cc1 9909518 BODJKDPEMNQPHP-IXDOHACOSA-N 416.591 4.853 0 40 HJAB Cc1sc2nc([C@@H](C)Sc3nc(C4CC4)n(-c4ccccc4)n3)[nH]c(=O)c2c1C 9952782 CCEGPOCOSDOJGY-CYBMUJFWSA-N 423.567 4.913 0 40 HJAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccn4)cc3c2C)cc1OC 12391518 FUNUEFSSCXJWRD-UHFFFAOYSA-N 416.433 4.637 0 40 HJAB biogenic Cc1ccc(NC(=O)c2ccoc2C)cc1S(=O)(=O)Nc1cccc(Cl)c1 12552850 GISAORXVTBHGIM-UHFFFAOYSA-N 404.875 4.603 0 40 HJAB C[C@@H]1C[C@@H](Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccco2)C(=O)O1 12616754 VJZHQQPZARRHQA-RDTXWAMCSA-N 411.527 4.680 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)c3)C2)c2ccccc12 12921457 PECSSUAGZAJXBJ-GOSISDBHSA-N 402.494 4.648 0 40 HJAB CCOc1c(Br)cc(F)cc1NC(=O)c1ccc(Br)o1 12998487 HIAVLIXKKJEPIP-UHFFFAOYSA-N 407.033 4.595 0 40 HJAB COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@H]3c3ccc(Cl)cc3)c2c1 13569868 QOQLESSYDQFWSR-JOCHJYFZSA-N 420.900 4.649 0 40 HJAB CC1(C)C[C@H](NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2O1 13673860 UJMNPOCJHVYEBE-INIZCTEOSA-N 400.327 4.715 0 40 HJAB Cc1cccc(N2CCN(C(=O)c3ccccc3OCc3ccccc3)CC2)c1C 13687418 MLJCYSORQNKPNA-UHFFFAOYSA-N 400.522 4.845 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@@H]3C2=O)cc1 13749281 CNTPOBMIWIPEHC-FKBYEOEOSA-N 418.880 4.700 0 40 HJAB COc1ccc(-c2csc(NC(=O)CN[C@@H](C)c3ccc(Cl)cc3)n2)cc1 14015017 WOPXLCXXLBXQTA-ZDUSSCGKSA-N 401.919 4.761 0 40 HJAB CCOc1cc(C(=O)N2CCC[C@H]2c2cccs2)cc(Br)c1OC 14110107 BNWVSZLFWUCNHH-AWEZNQCLSA-N 410.333 4.895 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)Nc1cccc(C)c1C 14153454 NLRKHJCPWWVAQD-UHFFFAOYSA-N 412.486 4.804 0 40 HJAB C[C@H](SCCOc1ccccc1Cl)C(=O)N1c2ccccc2NC(=O)C1(C)C 15492176 YNGOTOVXXRKFKR-AWEZNQCLSA-N 418.946 4.604 0 40 HJAB COc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1 18074512 YIJIKDDSZKLWJQ-JOCHJYFZSA-N 400.478 4.747 0 40 HJAB biogenic COc1ccc([C@H]2CCCN2C(=O)c2ccc(F)c(-n3nc(C)cc3C)c2)cc1OC 19574628 BBXXMGSLFMNPAF-HXUWFJFHSA-N 423.488 4.623 0 40 HJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 19932187 OOFUKPVDVVPBFQ-HXUWFJFHSA-N 406.448 4.520 0 40 HJAB O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1ccc2ccccc2c1 20534095 YLZIFCQCHPJYEB-UHFFFAOYSA-N 402.475 4.719 0 40 HJAB COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(C)c4)ccc3o2)c1 21579532 ZBRHCWRMZRZOFW-UHFFFAOYSA-N 417.490 4.939 0 40 HJAB CC1=C([C@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)CC[C@@H]2C1=C[C@@H]1[C@@H]2CC=C2C[C@@H](O)CC[C@]21C 22056490 MNUNKCHZNVYRDJ-JDVVYBFCSA-N 411.630 4.762 0 40 HJAB in-vitro C[C@H](Oc1ccccc1)c1nc2ccccc2n1C[C@H](O)COCc1cccs1 22081432 XBVOBIKFYNGXKR-ROUUACIJSA-N 408.523 4.816 0 40 HJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(I)cc1C 22529612 IAYXNGPTCYTKDJ-MRXNPFEDSA-N 409.267 4.704 0 40 HJAB Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 25993851 IVMTVUVGSHOPIJ-UHFFFAOYSA-N 404.901 4.714 0 40 HJAB CCOP(=O)(OCC)c1nc(-c2ccccc2F)oc1NCc1ccccc1 27025484 HQBONMHFLLQFGS-UHFFFAOYSA-N 404.378 4.984 0 40 HJAB O=C(c1ccc(OCCSc2ccccc2)cc1)N1CCN(c2ccccc2)CC1 30855428 BTAJYCZYCAFJQX-UHFFFAOYSA-N 418.562 4.820 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(I)cc1 30856913 CFMOAIQYHDLIFE-CQSZACIVSA-N 415.658 4.741 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC(C(C)C)C(C)C)c2)cc1 30871211 AICRZSKDWJZELQ-UHFFFAOYSA-N 422.978 4.860 0 40 HJAB CC(C)Cc1csc2c1c1nc(-c3ccco3)nn1c(=O)n2CCc1ccccc1 32097266 IUMRJMNRMAMYMJ-UHFFFAOYSA-N 418.522 4.807 0 40 HJAB O=C(CSc1nncc2c1[nH]c1ccc(F)cc12)N[C@@H]1CCCc2ccccc21 32752902 ZIUVRQGQBJVDHT-GOSISDBHSA-N 406.486 4.536 0 40 HJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@@H]1c1cccc([N+](=O)[O-])c1 33783031 SURHILKCYNFSOF-LJQANCHMSA-N 411.483 4.712 0 40 HJAB O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38833928 VVWHURCOZMWHEK-OAHLLOKOSA-N 407.739 4.953 0 40 HJAB Cc1cc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)c(C)o1 38934959 OULUBGOTEDUZKW-SFHVURJKSA-N 423.943 4.556 0 40 HJAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 40132495 SSZAQXRXQLRWSX-CQSZACIVSA-N 401.432 4.669 0 40 HJAB O=C1[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccc(F)cc1 59418738 ILPKQNFUMZNOCW-YQORSWRPSA-N 403.840 4.573 0 40 HJAB O=C(OCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2cc[nH]c2c1 61249726 LMYIETGJDWHMEV-IBGZPJMESA-N 417.292 4.995 0 40 HJAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccc(Cl)cc3F)n2)cc1 67257608 LMLFECPKKXQSGA-UHFFFAOYSA-N 417.893 4.984 0 40 HJAB O=c1c2ccccc2nc(SCCc2ccccc2)n1Cc1ccc2c(c1)OCO2 67259384 ZZGRNPXTWXHLPH-UHFFFAOYSA-N 416.502 4.508 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cccc4ccc(C)nc34)CCCC2)c1 72090906 KKINGLKLARFDSZ-UHFFFAOYSA-N 422.550 4.885 0 40 HJAB Cc1ccc(-c2csc3ncnc(N(C)C4CCN(C[C@H]5CCOC5)CC4)c23)cc1 72301764 QILBMBYYZROVGJ-GOSISDBHSA-N 422.598 4.604 0 40 HJAB FC(F)(F)c1cccc(-c2noc([C@@H]3CCN(CCOc4ccccc4)C3)n2)c1 72369970 HHLPWIZSOFLNCR-MRXNPFEDSA-N 403.404 4.624 0 40 HJAB Cc1ccccc1-c1cc(C[C@@]2(C(=O)O)CCCN(C(=O)CCC3CCCC3)C2)on1 72395058 FZVYAUQDLBNKGU-VWLOTQADSA-N 424.541 4.856 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)c1 95444883 HWOBHVHNYKOURE-XZOQPEGZSA-N 412.530 4.871 0 40 HJAB CC(C)[C@@H](CN(C)C)NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 95933294 KRYYOIQNEMXCQT-CYBMUJFWSA-N 401.420 4.597 0 40 HJAB CSc1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccc(F)cc3)C4)n2)cc1 97076808 YZGFZKYAIPDMOH-GOSISDBHSA-N 408.458 4.733 0 40 HJAB CN(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC3CCCC3)CC2)n1 100738954 FZLMVYOCKBKFJD-TYKWCNGQSA-N 421.589 4.575 0 40 HJAB C[C@@H]1N=C(c2ccc(I)cc2)[C@H]2[C@H](c3ccc(Cl)cc3)N12 103151031 DACVTGNUCKIYJC-UAICIRBVSA-N 408.670 4.519 0 40 HJAB O=C(COc1ccc(Cl)cc1Br)NCCSC1CCCCC1 218853634 UNSZEELHDVIUQR-UHFFFAOYSA-N 406.773 4.663 0 40 HJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 223178805 NTHMSZKCEZUFPC-SFHVURJKSA-N 400.950 4.888 0 40 HJAB CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 223938325 FMKSKMSLJPNUCY-SFHVURJKSA-N 402.560 4.742 0 40 HJAB CCC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224020266 SBKAVJWVOBFAAQ-GFCCVEGCSA-N 415.342 4.713 0 40 HJAB Cc1cccc(CN(C(=O)CCc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)c1 224169998 BXHIFIZQQYAGSU-LJQANCHMSA-N 414.977 4.771 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 224977129 UCWMBWWFOWRHFI-INIZCTEOSA-N 421.368 4.788 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 225054525 LWLUZSBJCMERCP-WOJBJXKFSA-N 412.599 4.560 0 40 HJAB CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C[C@H](C)c2ccccc2)C1 247948580 KVVHGIDFPXOQHE-KDYSTLNUSA-N 413.565 4.533 0 40 HJAB COc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(OC)c1 408627524 NLYRLQSXXXHLSL-UHFFFAOYSA-N 417.914 4.753 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(F)cc2)cc1 408698293 OUBGFEFVJSHEHH-UHFFFAOYSA-N 416.456 4.951 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O 409353226 ZFJHBIOQJQPRMR-LZYBPNLTSA-N 421.305 4.977 0 40 HJAB C[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br)c1ccccc1 1462761026 DWONLHDBXMKVCC-VIFPVBQESA-N 409.132 4.795 0 40 HJAB CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(F)cc1 645642 SQRUHGDSSSCIIH-UHFFFAOYSA-N 417.458 4.605 0 40 HJAB COC(=O)CSc1nnc(COc2cccc3ccccc23)n1-c1ccc(C)cc1 676177 BUKQFHRLPHVFJP-UHFFFAOYSA-N 419.506 4.573 0 40 HJAB Cc1ccnc(NC(=O)c2ccc(Cl)c(NC(=O)[C@H](C)Oc3ccccc3)c2)c1 713010 CFWDITWYJRACNT-HNNXBMFYSA-N 409.873 4.702 0 40 HJAB CCOc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 780404 MHVBHYCKEANPIV-UHFFFAOYSA-N 421.324 4.883 0 40 HJAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1Br 1241222 SGZJDXBZCRPILL-UHFFFAOYSA-N 424.254 4.913 0 40 HJAB CC(C)(C)c1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)N2CCCC2)cc1 1792171 YQHAZDRUIRYPEM-UHFFFAOYSA-N 405.494 4.759 0 40 HJAB CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccs1)c1ccccc12 2184852 KIXAUXPLUIXLCF-UHFFFAOYSA-N 415.492 4.933 0 40 HJAB CCOc1ccc2[nH]c3c(N4CCN(c5cccc(C)c5)[C@H](C)C4)ncnc3c2c1 2398172 HAEJTQLJUOXHLG-QGZVFWFLSA-N 401.514 4.533 0 40 HJAB COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1 2440527 AQIRYAUBMNBGJQ-UHFFFAOYSA-N 417.918 4.638 0 40 HJAB aggregator O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ccccc1F 2662166 MYGSVEIZOQNXHC-OAQYLSRUSA-N 410.876 4.657 0 40 HJAB CCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OCC 4000007 DVRJHTXMJFZNDQ-AKNQKSQZSA-N 406.526 4.511 0 40 HJAB biogenic CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Br)cc1 4684693 VOILQDIITWSYKB-SFHVURJKSA-N 412.287 4.651 0 40 HJAB Cc1cc2c(c(OS(=O)(=O)c3ccc(Cl)cc3)c1)[C@H]1CCCC[C@H]1C(=O)O2 4746746 YOPJQBZFZYIWIZ-JKSUJKDBSA-N 406.887 4.609 0 40 HJAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc(-c2ccc(Cl)cc2)cs1 4995985 CPHQETPVCFPKLY-KRWDZBQOSA-N 402.859 4.762 0 40 HJAB CN(C)CCCN(C(=O)CCc1ccccc1)c1nc2c(Cl)cccc2s1 5122441 MNUQYJYAFCNQHA-UHFFFAOYSA-N 401.963 4.867 0 40 HJAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(Br)cc1 5507945 BUKVTRAEOVCMTD-UHFFFAOYSA-N 410.267 4.698 0 40 HJAB CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 5552294 DBRWHFCZXAVPSK-WQRHYEAKSA-N 403.887 4.984 0 40 HJAB Cc1ccc(-c2csc3nc(CSc4nnc(C)n4C4CC4)[nH]c(=O)c23)s1 6934777 GCXKWFSWVFBWKL-UHFFFAOYSA-N 415.569 4.549 0 40 HJAB Oc1ccc2c(c1)Oc1ncn3nc(COc4ccccc4)nc3c1[C@@H]2c1ccccc1 9158113 MPJOXSXKKWGOQP-JOCHJYFZSA-N 422.444 4.695 0 40 HJAB O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc(Br)cc1Cl 9683535 RNESVBVPUWNAAR-UHFFFAOYSA-N 403.059 4.551 0 40 HJAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cc(C2CC2)nn1-c1ccccc1 11005096 JSHZPHNUDNPVHG-UHFFFAOYSA-N 409.873 4.817 0 40 HJAB O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1NCCc1ccccc1 12419561 VWURTRXYBNTOFY-UHFFFAOYSA-N 410.520 4.891 0 40 HJAB COc1ccc(Nc2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)cc1 12419589 NDLPLJZTZZWVOC-UHFFFAOYSA-N 412.492 4.988 0 40 HJAB COc1ccc(N(Cc2cccs2)C(=O)CSc2ncc3ccccn23)cc1 12529418 UZEAQCFWAZZZJN-UHFFFAOYSA-N 409.536 4.730 0 40 HJAB O=S(=O)(Nc1cnc(-c2ccccc2)nc1)c1ccc(Cl)c(C(F)(F)F)c1 12561164 BEXKWEZETALLLT-UHFFFAOYSA-N 413.808 4.617 0 40 HJAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@@H]1CCSc2c(F)cccc21 12622165 ORIKFNSTGJRJRH-OAHLLOKOSA-N 424.526 4.652 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3n2C(F)F)c(C)c1 12886361 XCHVKRHYIOKSSZ-INIZCTEOSA-N 400.473 4.988 0 40 HJAB COc1cc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc(OC)c1OC 12907842 QSQWNIAPKKFVGJ-LJQANCHMSA-N 415.536 4.623 0 40 HJAB CCCOc1c(Cl)cc(C(=O)Nc2ccccc2N2CCCC2=O)cc1OC 12940637 RIZQPKMIEZFUIJ-UHFFFAOYSA-N 402.878 4.517 0 40 HJAB O=C(Nc1nc2ccccc2nc1N1CCCC1)c1cc(F)c(Cl)cc1Cl 13015215 LQBQGHLRMQSCBF-UHFFFAOYSA-N 405.260 4.928 0 40 HJAB Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccs1)C3 13634439 SDEHCBMOOKHRIB-HNNXBMFYSA-N 406.536 4.699 0 40 HJAB CC[C@H](C)c1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1 15517266 WDDACCBTCPUAMR-YWZLYKJASA-N 417.962 4.655 0 40 HJAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1nc(Cl)ccc1Cl 16237754 DFNZYAONMIWGHX-UHFFFAOYSA-N 419.337 4.656 0 40 HJAB CC(=O)N1N=C(c2ccc(C)c(C)c2)Sc2c1nc(-c1ccccc1)n2C(C)=O 16777551 CHRYYFAITYRBLD-UHFFFAOYSA-N 404.495 4.647 0 40 HJAB COc1c(C)cccc1C(=O)NC(=S)Nc1cc(C(C)(C)C)cc(Cl)c1O 17087587 XWWFEAPGNZBPEM-UHFFFAOYSA-N 406.935 4.787 0 40 HJAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1sc2ccccc2c1Cl 17968164 LERWYRSZQNCXSM-UHFFFAOYSA-N 412.820 4.683 0 40 HJAB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc(OC3CCCC3)cc2)CC1 19021105 RBNAYAWEZUPICF-UHFFFAOYSA-N 410.533 4.775 0 40 HJAB O=C(Cc1c(F)cccc1Cl)NCCc1c[nH]c2cccc(C3(O)CCCC3)c12 19293225 MJAYAYYFMNXHRB-UHFFFAOYSA-N 414.908 4.623 0 40 HJAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)CC2CCCCC2)c1 19689605 JTPSMHPUHXYBSX-JOCHJYFZSA-N 422.573 4.852 0 40 HJAB COc1cc(C)c(CN2CCC[C@H]2c2cc(-c3cnc(N)nc3)cc(C)n2)c(C)c1C 19690826 FVNQOMLJTVSNOO-QHCPKHFHSA-N 417.557 4.700 0 40 HJAB O=C(N[C@@H](c1ccccc1)c1cccs1)c1ccccc1I 20018848 FOBHSWJTBQXLKL-KRWDZBQOSA-N 419.287 4.872 0 40 HJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(OC)cc1)CO3 20412322 PIWOEMFTWZDWTH-UHFFFAOYSA-N 407.510 4.847 0 40 HJAB biogenic CC[C@H](C(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1)c1ccccc1 21687662 DJLXSUVNBRRITM-NRFANRHFSA-N 423.557 4.787 0 40 HJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(I)cc1 22527343 HWRFXSVTXCANDE-KRWDZBQOSA-N 409.267 4.704 0 40 HJAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1cccc(NC(=O)c2cccs2)c1 24028961 JPBOISVEYLFDRW-UHFFFAOYSA-N 418.478 4.622 0 40 HJAB COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(-c2nc(C)no2)cc1 30476454 MPINVSSLMKHZIP-UHFFFAOYSA-N 419.506 4.958 0 40 HJAB O=C(CN1CCSc2ccccc21)N1N=C(c2ccco2)C[C@@H]1c1cccs1 32510711 PFUBLHDSEZOXKY-QGZVFWFLSA-N 409.536 4.631 0 40 HJAB COc1ccccc1[C@@H](NC(=O)N[C@H](C)c1ccc(C(C)C)cc1)c1nccn1C 32802522 CTZCARFWINPMPN-VGOFRKELSA-N 406.530 4.702 0 40 HJAB COc1ccc(CCNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)cc1OC 32847789 ZJADNHCCXKKNDC-UHFFFAOYSA-N 421.459 4.893 0 40 HJAB CC(C)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 33000569 XBTORLYINJVGFK-UHFFFAOYSA-N 403.504 4.761 0 40 HJAB CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 44774939 ARGMKEIULVSZSO-DLBZAZTESA-N 406.507 4.733 0 40 HJAB COc1cccc([C@@H]2SCC(O)=Nc3c2cnn3C)c1OCc1ccccc1F 49543901 FLSLCXNXILFQTO-FQEVSTJZSA-N 413.474 4.571 0 40 HJAB O=C(NC1CCCCCC1)c1cnc2scc(-c3ccccc3Cl)n2c1=O 64787976 JEIRYHZBDQSUAK-UHFFFAOYSA-N 401.919 4.529 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@H](c3nccnc3-c3cccc(C)c3)C2)cc1 72358790 QCHGVKZGRWPXSL-QFIPXVFZSA-N 415.537 4.799 0 40 HJAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)CCc2ccc(F)cc2)n1 72377257 GIVYPLPJMJDAFR-OAQYLSRUSA-N 422.479 4.690 0 40 HJAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 72378895 SDDZYHYOAMWICJ-QFIPXVFZSA-N 413.525 4.778 0 40 HJAB Cc1cc2nc(-c3cc(N)cc(Br)c3O)oc2c(Br)c1C 73634574 XURLUOBDUWJCMG-UHFFFAOYSA-N 412.081 4.924 0 40 HJAB CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)Nc2cccc(COCC3CC3)c2)C1 89661868 JIOOYPQMCNXFHM-KRWDZBQOSA-N 402.535 4.589 0 40 HJAB CC[C@H](CSC)N(C)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 95459616 AFPAGXCJVHXGMC-CQSZACIVSA-N 423.932 4.570 0 40 HJAB COC(=O)c1cc(C(=O)OC)cc(-c2cc3c(n2Cc2ccccc2)CCCC3)c1 95951524 HZGVLTRDEHOMAJ-UHFFFAOYSA-N 403.478 4.655 0 40 HJAB O=C(CNC(=O)c1ccccc1Cl)Nc1ccc(N2CCCCCCC2)c(F)c1 96007948 BBDCGPMNERJLMG-UHFFFAOYSA-N 417.912 4.618 0 40 HJAB CCc1ccccc1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 96035921 NDSABCVWWZRQKQ-UHFFFAOYSA-N 413.565 4.595 0 40 HJAB Cc1ccccc1N1O[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]1c1cccs1 102912290 QZCDVQBDBIBHHP-AABGKKOBSA-N 424.909 4.761 0 40 HJAB CCCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c2ccccc21 106702575 PLNAWEHGISSNNW-MOSHPQCFSA-N 419.506 4.726 0 40 HJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 219384540 RRVREPJDAZUBFE-SFHVURJKSA-N 409.935 4.553 0 40 HJAB CC(C)c1ccccc1OCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 223793454 PPHRLSRKYMLRDE-UHFFFAOYSA-N 414.977 4.871 0 40 HJAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1cccc(C)c1 224116548 MDNXWVGIWGOPEY-UHFFFAOYSA-N 404.466 4.793 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 224309347 HVNWNGLHZJARPA-QGZVFWFLSA-N 418.940 4.601 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 225245127 IFJKAAJBXMZYIC-QFIPXVFZSA-N 414.977 4.833 0 40 HJAB CCc1nn(C)c(C(=O)N2CCC[C@@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)c1C 257202902 ANWBYOGSWSIYBU-LJQANCHMSA-N 420.532 4.820 0 40 HJAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4ccccc4C(=O)O)C[C@@H]3C[C@H]21 257316017 VDTQKWVBCDJOIJ-HWLQVEPHSA-N 407.510 4.524 0 40 HJAB CCN1CCN(C(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)CC1 408571210 AEIMJKPJRVTACS-UHFFFAOYSA-N 409.382 4.885 0 40 HJAB Cc1cc(OCCn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)ccc1Cl 408577573 ZSSRWLRCQYOWJV-UHFFFAOYSA-N 424.928 4.877 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)cc1 408694985 NGWSWWDQRJBGBQ-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)NC1=S 409007137 OJUUFGMZGKOXRQ-YBEGLDIGSA-N 407.322 4.650 0 40 HJAB COC(=O)[C@@H](NC(=O)CCc1ccc(C(F)F)cc1)c1cccc(C(F)(F)F)c1 1583814268 FXHQIRWVHYGQJR-KRWDZBQOSA-N 415.358 4.606 0 40 HJAB CO[C@H]1C[C@@H]2CN(Cc3ccc(F)cc3F)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242663 GVMJXSPNBIIOHG-VBVDBJQASA-N 411.496 4.721 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc2c3c(C)c(C)sc3ncn12 925338 YFTLHHRELBICCU-UHFFFAOYSA-N 417.947 4.648 0 40 HJAB CCOC(=O)[C@@H]1C(c2cccs2)=CS[C@@H]1NC(=O)CSc1ccc(C)cc1 1465492 XPDNGMJBUVLLSK-MOPGFXCFSA-N 419.593 4.558 0 40 HJAB CC(C)(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2414550 QZFHWIGNZAQFCY-AVRDEDQJSA-N 417.505 4.815 0 40 HJAB CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1 3292144 AZAVZKBVBZGWRE-UHFFFAOYSA-N 414.571 4.893 0 40 HJAB O=CNC1(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)CCCCC1 4547569 YOUTUFCBIKSMKI-IBGZPJMESA-N 405.325 4.648 0 40 HJAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCc3cccc(Cl)c3)c(C)c12 4744327 YQQGHZNKSAJUPI-UHFFFAOYSA-N 409.869 4.977 0 40 HJAB Clc1ccc(-c2cc3nc4c(c(NCCc5ccccn5)n3n2)CCCC4)cc1 4926988 LUJXNDTYSYVXOZ-UHFFFAOYSA-N 403.917 4.978 0 40 HJAB COc1ccc(CN(C)CC[C@]2(c3ccccc3)C[C@H](C)N(C)C[C@H]2C)cc1OC 5358875 OJEZOEWJJBKOBO-SWYRRKHMSA-N 410.602 4.824 0 40 HJAB biogenic Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4cccc(C)c4)ccc32)cc1 5375212 UYUIDCXOUGKTMF-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1 5900246 WQYSLLRYFZMCTP-UHFFFAOYSA-N 416.886 4.892 0 40 HJAB Cc1sc2nc(SCC(=O)c3ccc(Cl)c(Cl)c3)n(C)c(=O)c2c1C 6527608 FWIIQYWSSWEKGD-UHFFFAOYSA-N 413.351 4.894 0 40 HJAB CC[C@@H](C)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 6602200 RFVNMFOWKOEEMM-QGZVFWFLSA-N 410.539 4.613 0 40 HJAB O=C(COc1ccc(F)cc1Cl)N1CCC[C@@H](c2nc3ccccc3s2)C1 8070167 ZZYIXOIDHDDKAN-CYBMUJFWSA-N 404.894 4.874 0 40 HJAB O=C(COc1ccccc1-c1ccccc1)NCc1cc(Cl)c2c(c1)OCCCO2 8936640 CKPPMDTUOXFQGG-UHFFFAOYSA-N 423.896 4.864 0 40 HJAB O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCCC1=CCCCC1)c1ccccc1 9071554 MKDJXVHMDXTYCZ-SFHVURJKSA-N 409.555 4.822 0 40 HJAB CCOc1ccc2c(-c3cc4cc(Br)ccc4oc3=O)cc(=O)oc2c1 9517237 ZIPBGTOEXQTAAF-UHFFFAOYSA-N 413.223 4.728 0 40 HJAB biogenic Cc1sc2nc(SCc3nc(-c4cccc(Cl)c4)no3)n(C)c(=O)c2c1C 9690674 UYGGHCBGOYNXCP-UHFFFAOYSA-N 418.931 4.608 0 40 HJAB COc1ccc(-c2cc(NC(=O)CCNC(=O)Nc3ccccc3)ccc2OC)cc1 11962010 BKKOZCNWHDIJNN-UHFFFAOYSA-N 419.481 4.521 0 40 HJAB COc1ccc(NC(=O)Nc2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)cc1 12226043 PJRRMXINHCBTPD-UHFFFAOYSA-N 407.474 4.968 0 40 HJAB Cc1nc2ccc(NC(=O)C34C[C@@H]5C[C@@H](CC(Br)(C5)C3)C4)cc2nc1C 12372662 QGZXENKHPQTHGI-XFKLWTPLSA-N 414.347 4.919 0 40 HJAB COc1ccccc1Oc1coc2c3c(ccc2c1=O)OCN(Cc1ccco1)C3 12442638 ICOXNYNZPHYBPW-UHFFFAOYSA-N 405.406 4.539 0 40 HJAB biogenic Cc1noc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)n1 12537173 VCESBHJXUJKACT-UHFFFAOYSA-N 419.297 4.620 0 40 HJAB Cc1ccc(OCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c(C)c1 12541161 GGLILYMHGUSXNT-SFHVURJKSA-N 403.482 4.816 0 40 HJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 12541230 CWRJEIOYJBKPOB-CQSZACIVSA-N 406.486 4.934 0 40 HJAB COc1ccc(Br)cc1-c1nc(-c2ccc3c(c2)CC(=O)N3)cs1 12857819 IHVFIHKWIVVNHR-UHFFFAOYSA-N 401.285 4.743 0 40 HJAB O=C(COc1ccc(F)cc1Br)Nc1ccc2c(c1)OC1(CCCC1)O2 12909943 VJIQQIKKSNHAAH-UHFFFAOYSA-N 422.250 4.647 0 40 HJAB Cc1ccc(S(=O)(=O)NC[C@H](Sc2nc3ccccc3o2)c2ccccc2)cc1 13149348 NPEXNPLJKZQEAS-NRFANRHFSA-N 424.547 4.948 0 40 HJAB O=C(COc1cccc2ccccc12)Nc1ccc(I)cc1F 17092564 UVAIRVPYNPFNJC-UHFFFAOYSA-N 421.209 4.601 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1cccc(F)c1 19400590 POCFLAXVMYQDQM-GBXCKJPGSA-N 421.491 4.743 0 40 HJAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccccc2)C1 19580161 GAGWUGZNOSMRJD-MHZLTWQESA-N 412.533 4.517 0 40 HJAB COc1cc(CN[C@@H]2CN3CCC2CC3)cc(Cl)c1OCc1ccccc1Cl 20228402 VBIPBZQFOUGPKF-HXUWFJFHSA-N 421.368 4.765 0 40 HJAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccccc1F)c1ccccn1 20715820 FBGVPKQANOLOLO-UHFFFAOYSA-N 406.482 4.886 0 40 HJAB CCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22256971 BDQKSTGMWFYRQW-UHFFFAOYSA-N 419.934 4.724 0 40 HJAB COc1ccc(S[C@@H](C)C(=O)NCCSCc2ccccc2C)cc1OC 22533118 KYKURXNRKXBGQS-INIZCTEOSA-N 405.585 4.542 0 40 HJAB C[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2cccc3ccccc23)CC1 22808273 LKGDVPMIHAPRDG-GOSISDBHSA-N 416.500 4.908 0 40 HJAB C[C@H]1CCCN([C@@H](c2ccccc2F)c2sc3nc(-c4ccco4)nn3c2O)C1 22852105 XNDPENLGZFYLEA-GUYCJALGSA-N 412.490 4.717 0 40 HJAB O=C(NCc1ccccc1Cn1ccnc1)c1ccc2noc(-c3ccccc3)c2c1 25614332 HTBANQZWVQQELA-UHFFFAOYSA-N 408.461 4.670 0 40 HJAB CCSCn1nnc(-c2ccc(OC)cc2)c1C(=O)Nc1cccc(Cl)c1C 32611855 UIHLHCPWNOPSGV-UHFFFAOYSA-N 416.934 4.878 0 40 HJAB CCOC(=O)N1CCC[C@H](C(=O)Nc2ccccc2-c2nc3ccccc3s2)C1 32764476 HHJDAQVTWVZBHN-HNNXBMFYSA-N 409.511 4.770 0 40 HJAB CCc1ccccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C 33089196 MAZHMCJBJRMZQC-LBPRGKRZSA-N 411.299 4.696 0 40 HJAB CC(C)Oc1ccc(CNC(=O)COc2ccc(Br)cc2Cl)cc1 36561524 NHDGVWBNAPBWIH-UHFFFAOYSA-N 412.711 4.585 0 40 HJAB CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N(C)Cc1ccc(Cl)s1 37132669 LDAWRSMBOXJGSU-UHFFFAOYSA-N 416.930 4.636 0 40 HJAB Cc1cc(C)cc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1 44166374 TVLXVSAURLEAKR-UHFFFAOYSA-N 418.515 4.581 0 40 HJAB CCOc1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 44851378 CWKGPUWWWGWFCJ-OAQYLSRUSA-N 414.977 4.700 0 40 HJAB Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 46078931 UIQRHRLOBGDGGZ-UHFFFAOYSA-N 402.469 4.657 0 40 HJAB CSC(SC)=C1CCC[C@@H]2C1=NN(C(=O)CCC(=O)O)[C@@H]2c1ccccc1 51329765 OHBBJEPGVKVFRN-AUUYWEPGSA-N 404.557 4.528 0 40 HJAB CCN(Cc1cccc(NC(=O)[C@H](C)SCc2ccccc2)c1)C(=O)C(F)(F)F 58099681 DMWXMHBZPPQPLJ-HNNXBMFYSA-N 424.488 4.858 0 40 HJAB CC(=O)c1cn(CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c2ccccc12 64987046 KUAYWMJSXSNXQN-RUZDIDTESA-N 420.509 4.519 0 40 HJAB CC[C@@H](C)n1c(SCC(=O)Nc2cccc(Cl)c2C)nc2cc(C)[nH]c2c1=O 67238994 COSSBYSNIVTAGE-GFCCVEGCSA-N 418.950 4.697 0 40 HJAB Brc1ccccc1-n1nnnc1CNc1ccc(-c2ccccc2)cc1 72098646 FYUJZSHDOXKYPB-UHFFFAOYSA-N 406.287 4.704 0 40 HJAB O=C(N[C@H](c1ccccn1)C1CCN(Cc2cccc(F)c2F)CC1)C1CCCC1 72399247 RYPPUBRNTDJGSZ-QHCPKHFHSA-N 413.512 4.620 0 40 HJAB O=C(c1ccccc1Br)N1CCC(COCc2ccc(F)cc2)CC1 77191497 IZIYJBOPCQCVQS-UHFFFAOYSA-N 406.295 4.657 0 40 HJAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@H]4CC(C)C)cc1 85878105 NWVAKDLHHSYVNU-OAHLLOKOSA-N 408.450 4.916 0 40 HJAB biogenic Fc1c(F)c(F)c(C(Br)(Br)Br)c(F)c1F 91251914 KWBHWIOJPYBLFY-UHFFFAOYSA-N 418.779 4.677 0 40 HJAB CCCNC(=O)OC[C@]12CO[C@H](c3ccc(N(C)C)cc3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 100741455 VIRYKNHSXXWHME-UEDMNHLFSA-N 400.563 4.795 0 40 HJAB biogenic C[C@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 108855364 BHIBQOONCFCENX-XNXCGYLDSA-N 401.522 4.510 0 40 HJAB O=C(CCc1ccc(F)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 222604314 DMWCKNDYUMBIGS-UHFFFAOYSA-N 402.513 4.692 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C 224739239 WVIBZKVTVBAIBJ-FQEVSTJZSA-N 424.585 4.615 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 225132255 LEZMAHXCERVRLY-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 225451801 VGWYXMCDGJGWNE-RTBURBONSA-N 414.977 4.647 0 40 HJAB CC1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 226070606 CRNHTLFDMHDABQ-OAQYLSRUSA-N 405.623 4.770 0 40 HJAB CC(C)(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)[nH]n1 257280593 OLMDHONLYRNXDG-GOSISDBHSA-N 412.921 4.917 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2C)cc1C 408546045 PRAWEGRENQPQJO-UHFFFAOYSA-N 416.587 4.823 0 40 HJAB CCOC(=O)c1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 408618070 BVMMIJGPJBDMKH-RGBOINFLSA-N 405.494 4.946 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)c1 408689881 ZKUQQRYDZWNXNM-YXKFXFPPSA-N 408.885 4.602 0 40 HJAB O=C(Nc1ccccc1)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 409136766 ZJGWMIPUCMBEEY-UHFFFAOYSA-N 414.446 4.741 0 40 HJAB CCCN(CCC)C(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 409217050 NNNPIUVTJVFXRL-UHFFFAOYSA-N 422.598 4.793 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)c1ccc(Br)cc1 409220091 UDUKXNCFKPQPRJ-CXUHLZMHSA-N 420.259 4.507 0 40 HJAB CCc1onc(-c2ccccc2Cl)c1C(=O)NCc1noc2c1CC(C)(C)CC2 1133298170 TYHCKDQTOLBOLF-UHFFFAOYSA-N 413.905 4.990 0 40 HJAB OC[C@]1(NCc2cccc(CC3CCC3)c2)CCc2cc(Br)ccc2C1 1560532830 XGTXKLFPDYCHPX-QHCPKHFHSA-N 414.387 4.801 0 40 HJAB O=C(NCc1ccccc1)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F 866027 XIWGMBNNSMJNOY-ROUUACIJSA-N 418.394 4.613 0 40 HJAB Cc1cc(F)ccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 919303 ZJLFUBSIGDDSQU-XJKSGUPXSA-N 408.355 4.836 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nc2cc3c(cc2cc1C)OCCO3 933042 TZUJIJMDAIEXOV-UHFFFAOYSA-N 408.523 4.916 0 40 HJAB O=C(CSc1nc(-c2ccccc2)nc2c(C(F)(F)F)cccc12)NC1CC1 1367408 OIPMARCSPATHEK-UHFFFAOYSA-N 403.429 4.686 0 40 HJAB Cc1cc(C)cc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c1 1380005 SRBLVPGKFHTEFV-HSZRJFAPSA-N 417.509 4.738 0 40 HJAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(O[C@@H](C)C(=O)OCC)cc12 1463684 UOJNKXNZAZAYGX-AWEZNQCLSA-N 412.438 4.616 0 40 HJAB biogenic O=C(Nc1ccccc1)c1cccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)c1 1954164 SLSOTMQALHWRLR-UHFFFAOYSA-N 423.900 4.503 0 40 HJAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 2434412 QTTMPSSHKQHDOX-HXUWFJFHSA-N 402.837 4.900 0 40 HJAB Cc1ccc(NC(=S)NCC2CCN(C(=S)Nc3ccc(C)cc3)CC2)cc1 2757025 FZHQWQHOJYJOEI-UHFFFAOYSA-N 412.628 4.699 0 40 HJAB O=C(O)/C(=C\c1ccccc1OC(F)F)Sc1nnc(-c2ccc(F)cc2)o1 3280578 FLHLQFYUOHRPMW-NTEUORMPSA-N 408.357 4.695 0 40 HJAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CNCc1ccco1 3292414 XVNQCGFWOUEWSV-UHFFFAOYSA-N 418.902 4.567 0 40 HJAB CC(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 3360827 SPWOQTUUMAIPSW-UHFFFAOYSA-N 408.571 4.849 0 40 HJAB COc1ccc(-c2nc(NC(=O)c3cncc(Br)c3)sc2C)cc1 3560628 CJEUETZZIFGRDE-UHFFFAOYSA-N 404.289 4.537 0 40 HJAB COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(OC)c1O 4164918 XZRWLORIUTVVOV-AOMKIAJQSA-N 408.479 4.713 0 40 HJAB COc1ccc(-c2csc(NC(=O)CSc3ccc(C)cc3)n2)cc1OC 4496453 XIDGTIORFUKUQB-UHFFFAOYSA-N 400.525 4.867 0 40 HJAB Cc1ccccc1N1CCN(CCCOC(=O)Nc2cccc3ccccc23)CC1 4823081 AWBREZKDIPFTBT-UHFFFAOYSA-N 403.526 4.909 0 40 HJAB CCCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(OC)cc4)nc3c2)cc1 4832508 CYPHDSUHHVCLQM-UHFFFAOYSA-N 416.481 4.860 0 40 HJAB CCOc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)cc1 5077383 BPYLVOGOOFZEOV-UHFFFAOYSA-N 413.930 4.852 0 40 HJAB COc1cc(OC)cc(-c2nnc(S[C@H](C)C(=O)c3ccc4c(c3)CCC4)o2)c1 5435343 GXOUIZOHWGEOPQ-CYBMUJFWSA-N 410.495 4.606 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1Cl 5477799 OBMJCVQGQAGTMU-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB COc1ccc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)c(C(C)(C)C)c1 6306045 IFXDKELIMFGTJX-QFIPXVFZSA-N 411.586 4.687 0 40 HJAB O=C(NC(=S)Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(-c2ccccc2)cc1 6535537 VGCHAHVDZWNKDE-UHFFFAOYSA-N 410.882 4.832 0 40 HJAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccccc1C(=O)Nc1ccccc1 6881412 NEFDEYVOBDXMSF-HXUWFJFHSA-N 405.523 4.776 0 40 HJAB O=C1COc2ccc(-c3csc(Nc4cccc(Br)c4)n3)cc2N1 7321778 AUGOJBCIFGKWKM-UHFFFAOYSA-N 402.273 4.647 0 40 HJAB C[C@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 7684665 JYMWFRDRGNBUEL-FXAWDEMLSA-N 420.509 4.608 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)c1C 7729430 MCCNGIPWFDWHPI-MRXNPFEDSA-N 422.554 4.715 0 40 HJAB C[C@@H](NC(=O)CNc1ccccc1C(=O)NCc1ccccc1)c1ccc(Cl)cc1 8707389 MJJVHOABGFGGHI-QGZVFWFLSA-N 421.928 4.559 0 40 HJAB CCOCCCNc1nnc(SCc2coc(-c3ccc(Cl)cc3)n2)s1 8750460 MSEKKCOTZNBILX-UHFFFAOYSA-N 410.952 4.977 0 40 HJAB Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2N=C(O)C[C@@H]3c2cccc(O)c2)n1 9420583 KQZHSZBRZASZSU-LJQANCHMSA-N 411.465 4.775 0 40 HJAB COc1ccc(S(=O)(=O)NCCSCc2ccc(C)cc2)c(Cl)c1Cl 9763409 BRSGTVZVOHOWEP-UHFFFAOYSA-N 420.383 4.522 0 40 HJAB CCOC(=O)c1c(NC(=O)c2sc3nc(C)ccc3c2N)sc2c1CCCC2 9970834 FNHOJJHYYZDROP-UHFFFAOYSA-N 415.540 4.556 0 40 HJAB COc1ccc2cc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)c(C)nc2c1 11254748 BYITXWNGSFWNGX-UHFFFAOYSA-N 418.415 4.561 0 40 HJAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C1CCN(C(=O)C2CC2)CC1 12097778 GKAKBBYNJZZZAB-UHFFFAOYSA-N 406.570 4.742 0 40 HJAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(NC(=O)c2ccccc2)cc1 12749197 TXNKRUHGGPFZPD-NRFANRHFSA-N 419.550 4.567 0 40 HJAB CCOc1c(C[C@H]2C(=O)N(CC)c3ccc(Br)cc32)cccc1OC 15018185 UBUHGCNLNBHIMG-MRXNPFEDSA-N 404.304 4.549 0 40 HJAB O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2cccc(Cl)c2Cl)CC1 15175344 KZBLMCHZJBACIR-MDZDMXLPSA-N 417.336 4.562 0 40 HJAB Cc1ccc(-c2nc(C(=O)N[C@H](c3ccccc3F)c3nccn3C)cs2)cc1 15497786 FGCKNAVNBGWXEQ-LJQANCHMSA-N 406.486 4.511 0 40 HJAB Cc1cccc(C)c1NC(=O)c1cccn(Cc2ccc(Br)cc2)c1=O 15882903 KEVVNICITCKOSO-UHFFFAOYSA-N 411.299 4.528 0 40 HJAB COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)CCc2ccccc2)c1 16043043 DXQNNXQSCIBPDV-UCGXPXSYSA-N 423.553 4.531 0 40 HJAB biogenic O=C(Nc1ccccc1)N1CCC(C2CCN(C(=O)Nc3ccccc3)CC2)CC1 16489378 GDXNCQYMTISGCA-UHFFFAOYSA-N 406.530 4.875 0 40 HJAB Cc1ccccc1C1=N/C(=C/c2ccc(OC(=O)c3ccccc3F)cc2)C(=O)O1 17086189 CEXFEKUNPVHAAB-KGENOOAVSA-N 401.393 4.698 0 40 HJAB COc1ccc([C@@H]2[C@@H](NC(=O)C[C@@H](C)n3nc(C)c(C)c3C)[C@H]3CCCC[C@H]32)cc1 19556209 CUVHVJHKEWHHOI-RBSJHKHLSA-N 409.574 4.857 0 40 HJAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(Cc4c[nH]nc4C(C)(C)C)C3)noc2n1 19568870 PXKLTANHUDJYHZ-CYBMUJFWSA-N 421.467 4.950 0 40 HJAB CCN(C(=O)c1cnccn1)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 19711998 QABSUYFAULKOAO-JTHBVZDNSA-N 423.463 4.804 0 40 HJAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccccc1 20456706 PENGPZBBQKAMDO-NRFANRHFSA-N 408.523 4.677 0 40 HJAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1Cl 20492177 SDVRUBNQLSSHAS-UHFFFAOYSA-N 422.717 4.765 0 40 HJAB Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)nn12 20609582 PBURMGVVZAGZHB-UHFFFAOYSA-N 404.282 4.720 0 40 HJAB Cc1ccc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1C 21441466 HLEMWIVPCYRWPS-QGZVFWFLSA-N 408.445 4.702 0 40 HJAB CCn1c(SCCOc2c(Cl)cccc2Cl)nc2ccsc2c1=O 27825476 OUWUNHPCNFFLBA-UHFFFAOYSA-N 401.340 4.956 0 40 HJAB Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1C 28230658 GKOILLZNIAWLFX-UHFFFAOYSA-N 403.461 4.638 0 40 HJAB Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCC(C)CC2)o1 28405175 DBFQRPKFWBFNBU-HXUWFJFHSA-N 404.938 4.518 0 40 HJAB O=C(NCc1ccc(COCC(F)(F)F)cc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 29725833 OIFHRDWRZIUYNC-GJZGRUSLSA-N 412.374 4.686 0 40 HJAB Cc1cc(O[C@H](C)C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)ccc1Cl 32594070 VYSNQIGEZBZYPA-CQSZACIVSA-N 411.889 4.983 0 40 HJAB CC(C)c1ccc(S(=O)(=O)Nc2cnn(COc3ccc(F)cc3Cl)c2)cc1 32609896 NKVBIWOJVKUYEF-UHFFFAOYSA-N 423.897 4.636 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(-c2ccccc2)cc1 32929951 MEQNDIAKRVCGLN-GOSISDBHSA-N 423.534 4.613 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc(Cl)s2)cc1OC 40039804 ZNNKTOCNSPAXGL-AWEZNQCLSA-N 407.919 4.745 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)Cc3csc(NC(=O)C4CC4)n3)ccc21 40060208 XJMJMUQKYRZWMG-UHFFFAOYSA-N 418.522 4.801 0 40 HJAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 40104762 DQAQZXBSOGSVFS-KUHUBIRLSA-N 401.894 4.682 0 40 HJAB O=C(CSCc1coc(-c2ccccc2)n1)N[C@@H](c1ccccc1)c1ccccn1 40141260 WMBRDIIJPZNXFM-QHCPKHFHSA-N 415.518 4.876 0 40 HJAB CCCC(=O)N1CCC(OC(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 62581792 BHUUEONJCQBIFP-UHFFFAOYSA-N 414.552 4.973 0 40 HJAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccc(N4CCOCC4)cc3)oc12 67339993 MGDJNLZOVHNZJK-VOTSOKGWSA-N 412.873 4.583 0 40 HJAB Cc1ccc(CC(=O)N2CCC[C@@H](c3nnc(-c4nccc5ccccc45)o3)C2)cc1 72390130 ZECWXRPUVFRCMO-HXUWFJFHSA-N 412.493 4.542 0 40 HJAB Cc1cccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1C 113937643 UOQHGDXHLZWZII-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB CCO[P@](=O)(O)[C@H]1C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O 118931822 YTHYJGZYFUJIFJ-RHCGTSLQSA-N 424.518 4.716 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 222753840 OGTRMPCVCMPRBJ-HXUWFJFHSA-N 421.368 4.868 0 40 HJAB CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(OC)c(C)c2C)c2ccccc2O1 223508593 DULWAYZIIGGKQE-SFHVURJKSA-N 403.544 4.673 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 224354258 GUCHVCKNNWAYID-UHFFFAOYSA-N 408.523 4.717 0 40 HJAB O=C(NCc1ccccc1CN1CCCC1)c1cccc(OCc2ccccc2)c1 224782279 UOZTXRNRDVOEKM-UHFFFAOYSA-N 400.522 4.791 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 224999323 XHMSXVSSWUPJHG-WOJBJXKFSA-N 418.537 4.551 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cn3nc(C)cc3C)cc1)CC(C)(C)O2 225292693 YKSJXOMSFGZBOZ-JOCHJYFZSA-N 419.525 4.589 0 40 HJAB Cc1cc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)ccc1Br 225457077 RFPGFQUFEVIRDS-UHFFFAOYSA-N 415.360 4.738 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 225482440 DVCXQBVYNGCMHT-NFBKMPQASA-N 424.585 4.713 0 40 HJAB COC1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCC(C)CC1 225640962 PRKKASLBYUFVRH-VIHQBZHPSA-N 402.579 4.864 0 40 HJAB CCCO[C@@](C)(C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1)C1CC1 225672980 FXYFQBPAUBMGHC-XMMPIXPASA-N 402.579 4.865 0 40 HJAB C[C@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NCc2ccco2)n1 225912602 YKDUIGCFVAUPPQ-INIZCTEOSA-N 423.542 4.727 0 40 HJAB CCCCc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)[nH]n1 257241374 HXVHLPHHKWMUMR-FQEVSTJZSA-N 412.921 4.962 0 40 HJAB CC(C)(C)C(=O)NC[C@H]1CC[C@H](c2nc(N3CCCC3)ncc2-c2ccncc2)CC1 257299808 RRRBLWKBOFVFBR-KESTWPANSA-N 421.589 4.575 0 40 HJAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C(C)C)c(OCC)cc2C)C1=O 409014310 XBMPTDXRSNSUOW-BGARDKSCSA-N 405.516 4.505 0 40 HJAB COc1ccc(C2(CNC(=O)c3cc(NC(=O)C(C)(C)C)ccc3F)CCC2)cc1 543227512 VGMKPKFBXYZNHW-UHFFFAOYSA-N 412.505 4.671 0 40 HJAB CC(C)c1nnc(CCC(=O)N2CCCCCCCc3ccccc3OCCC2)o1 643584480 NWFMKJYCKBOUQA-UHFFFAOYSA-N 413.562 4.930 0 40 HJAB CN1CCCCCCCN(C(=O)C2CC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643584930 WVFGFWIDKZMGRN-GGAORHGYSA-N 412.574 4.651 0 40 HJAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccc(Cl)c2ccccc12 1212463585 WIKAXLOPYWEQSJ-NRFANRHFSA-N 411.910 4.658 0 40 HJAB O=C(CNC(=O)c1cc2ccccc2[nH]1)Nc1ccccc1Nc1ccc(F)cc1F 1597972041 RWAWRMARYSWONE-UHFFFAOYSA-N 420.419 4.558 0 40 HJAB CNc1nc(OCC(F)(F)C(F)F)nc(N(c2ccccc2)c2ccccc2)n1 788031 GOJHWNCQOHIUAF-UHFFFAOYSA-N 407.371 4.662 0 40 HJAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(N[C@@H](C)COC)ncnc32)cc1 1447756 HJCSKPBOUVUPRL-KRWDZBQOSA-N 402.498 4.933 0 40 HJAB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OCC(=O)OC(C)(C)C 2155391 DQWAXWNAGNQWTN-UHFFFAOYSA-N 401.484 4.508 0 40 HJAB biogenic O=C(CCCC(=O)OCC(=O)c1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 2191091 AREVKHRYGLXCCH-UHFFFAOYSA-N 412.244 4.667 0 40 HJAB Cc1ccc([C@@]2(CCNS(=O)(=O)c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)cc1 2237263 IDNUCAKYMLCODK-RPWUZVMVSA-N 415.599 4.745 0 40 HJAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(F)c2)no1 2449090 RVSQUOHNLZUHTC-GOSISDBHSA-N 410.788 4.632 0 40 HJAB Cc1cc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)c(C)s2)c2ccccc2n1 2783829 QOPDHIUMKRZMJT-UHFFFAOYSA-N 417.490 4.771 0 40 HJAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1cc(C(F)(F)F)ccc1Cl 3315420 NDGNIINGKJVFNP-UHFFFAOYSA-N 419.808 4.565 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2C)c(C)n1Cc1cccs1 3372995 OLIHJCIYHCCKGV-UHFFFAOYSA-N 422.579 4.985 0 40 HJAB Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 3597978 SYCRFXYBFNDWHD-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CCN(C(C)C)C2 4086904 VFGRTNABKCHLDW-UHFFFAOYSA-N 412.964 4.659 0 40 HJAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)CC1 4109530 YOYPZAZKZBPKBS-UHFFFAOYSA-N 420.340 4.694 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(NC(=O)Nc3ccccc3)s2)c1C 4851550 ZBDQRVXXTRBHFZ-UHFFFAOYSA-N 413.528 4.530 0 40 HJAB Cc1ccc(NC(=O)CSc2nccn(-c3ccc(C)c(Cl)c3)c2=O)cc1C 4853058 ZWDFYFFZZGJGAO-UHFFFAOYSA-N 413.930 4.542 0 40 HJAB CC(=O)O[C@H]1CC[C@H]2[C@H]3CCc4cc(OC(=S)N(C)C)ccc4[C@@H]3CC[C@]12C 5064979 GQZNFJMIFMSYRX-JSSYZSAGSA-N 401.572 4.700 0 40 HJAB CCCCCn1nc(C(=O)Nc2ccc3nc(C)sc3c2)c2ccccc2c1=O 6600726 DATDBURVCINSOJ-UHFFFAOYSA-N 406.511 4.757 0 40 HJAB COc1ccc(N/C=C2/C(=O)N(c3ccccc3C)C(=O)c3ccccc32)c(OC)c1 6812662 OUABRLZJLAOESX-HMMYKYKNSA-N 414.461 4.652 0 40 HJAB CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 6831927 ABMKQZZXNXIVBH-UHFFFAOYSA-N 421.526 4.795 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2cccc(Cl)c2)no1 7501979 MSQGUSHGOFXNEG-UHFFFAOYSA-N 411.918 4.885 0 40 HJAB COc1ccccc1NC(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C 9200996 YZWJQLUJFCJOTQ-UHFFFAOYSA-N 400.866 4.841 0 40 HJAB C[C@H](NC(=O)CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccccc1 9327996 WHYWAMGJEUHDTL-NSHDSACASA-N 407.326 4.748 0 40 HJAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(N2CCOCC2)cc1 9631788 WNYUAMHOPHEHEU-UHFFFAOYSA-N 419.959 4.517 0 40 HJAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 10314414 SCJICNLVUMGBLT-UHFFFAOYSA-N 408.523 4.676 0 40 HJAB CCn1cc(C(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)c2ccccc21 10559094 CCQMASUAPTZAJW-UHFFFAOYSA-N 419.554 4.946 0 40 HJAB CSc1ccc(CN(C)C(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 11220191 ZZFDTUMLEMSVNA-UHFFFAOYSA-N 418.566 4.812 0 40 HJAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCOc1ccccc1Cl 12539527 YSDQVBDTOZLNPJ-OAHLLOKOSA-N 409.873 4.853 0 40 HJAB O[C@H](COCc1ccccc1Cl)CSc1nnc(-c2ccc(Cl)cc2)o1 12890620 IAJPEZNOOQNGJQ-OAHLLOKOSA-N 411.310 4.713 0 40 HJAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)C1 12923439 HSBIOTUESQRJJJ-FMQWLBJXSA-N 402.416 4.596 0 40 HJAB CN(CC(=O)Nc1ccccc1-c1nc2ccccc2s1)C(=O)c1ccccc1 12943826 UNUMHYWSTMFLIC-UHFFFAOYSA-N 401.491 4.674 0 40 HJAB COc1ccc2c(C)c(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)oc2c1OC 13572428 VXALIDOOLUJFNC-UHFFFAOYSA-N 422.264 4.607 0 40 HJAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccs1 13724465 BVRKPVZKSAYMRL-UHFFFAOYSA-N 402.541 4.662 0 40 HJAB CCOc1ccc(/N=c2\scc(-c3ccccc3)n2CCCN2CCOCC2)cc1 13806540 YGNXREPPIDLDHY-IZHYLOQSSA-N 423.582 4.570 0 40 HJAB COc1cc2ccccc2cc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 14202171 GQDGMNMUZMTRNY-UHFFFAOYSA-N 400.931 4.521 0 40 HJAB CCOc1cc(C(=O)Nc2ccc3oc(C)nc3c2)cc(Br)c1OC 14367389 CBRBFCFFIPRAIH-UHFFFAOYSA-N 405.248 4.558 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 15225578 RVMSUOZSNSDWIL-UHFFFAOYSA-N 415.518 4.733 0 40 HJAB O=C(N/C=C\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 17112041 VXXJUCCLVNLXCZ-WAYWQWQTSA-N 404.080 4.931 0 40 HJAB COc1cccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C(C)(C)C)c1 19081637 DBJVJNPRZYHHFO-YPAWHYETSA-N 412.599 4.619 0 40 HJAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N(C)Cc1nnc(-c2ccccc2)o1 19666704 LKFSEUXLJXQZBA-UHFFFAOYSA-N 408.845 4.626 0 40 HJAB CC(C)n1c(CN2CC[C@@H](c3cc(COc4ccccc4)[nH]n3)C2)nc2ccccc21 19704709 KNNAHSVSPXTPMT-LJQANCHMSA-N 415.541 4.909 0 40 HJAB Cc1cc(C)c(NC(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)c(C)c1 20063254 GAVQSUMIHYGWKL-UHFFFAOYSA-N 420.534 4.735 0 40 HJAB O=C(NCc1ccco1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 20732428 OIYZCKSUIKVDIY-JOCHJYFZSA-N 406.526 4.781 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)c(OC)c1 22365497 GCTSDUIVLGOBRA-UHFFFAOYSA-N 410.282 4.781 0 40 HJAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C1(c2ccc(C(C)(C)C)cc2)CCCC1 24449944 XIMKNRAWNYVJLK-UHFFFAOYSA-N 423.582 4.753 0 40 HJAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc(Cl)c(OC)c(Cl)c1 25275717 BWVVTDDIVIMTMF-UHFFFAOYSA-N 410.257 4.697 0 40 HJAB COc1cc(Br)c(CN[C@@H](c2ccccc2)c2ccccn2)cc1OC 25363717 IZKUFMGAQONHCX-NRFANRHFSA-N 413.315 4.741 0 40 HJAB CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)CNc3ccc(C(C)C)cc3)cc12 28296708 OXLFKBVYOUCJMZ-HXUWFJFHSA-N 424.541 4.639 0 40 HJAB CCN(C(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)c1ccccc1OC 28628132 HDJJJIQZQYCHKV-SFHVURJKSA-N 416.783 4.572 0 40 HJAB Cc1nc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)sc1SCC(N)=O 31799763 KZSQCFAQNPXUPD-UHFFFAOYSA-N 423.972 4.663 0 40 HJAB O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 32753501 QQPOVLZGWZTQKY-XMMPIXPASA-N 417.480 4.643 0 40 HJAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 32978412 LXZGZRNLLNWZOX-LAUBAEHRSA-N 404.535 4.897 0 40 HJAB O=C(COc1ccccc1)NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1 33607947 LIHJNZVCOOZKOF-UHFFFAOYSA-N 419.531 4.855 0 40 HJAB CCc1nc2ccccc2n1C[C@H](C)C(=O)Nc1nnc(-c2ccccc2F)s1 35322635 IIDYOMPYRHRWRF-ZDUSSCGKSA-N 409.490 4.531 0 40 HJAB COc1ccccc1Nc1c(-c2cc(Br)ccc2O)nc2cnccn12 35622648 BTRWZYCAKXCSBR-UHFFFAOYSA-N 411.259 4.617 0 40 HJAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)[C@@H]1Cc2cc(Cl)ccc2O1 40152018 NQEXQXNEZPJHBR-FQEVSTJZSA-N 416.868 4.734 0 40 HJAB O=C(CCCc1ccc(Cl)c(Cl)c1)NCc1ccc(Cn2ccnc2)cc1 48299359 LFXIWRKEJOBQEA-UHFFFAOYSA-N 402.325 4.877 0 40 HJAB Cc1ccc2c(Nc3cccc(OC(F)(F)F)c3)c(C(=O)N3CCCC3)cnc2n1 49004639 PMUSTEDMZPZENU-UHFFFAOYSA-N 416.403 4.816 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)CCOc1ccccc1 58109575 GKKLCWISEYNHGX-UHFFFAOYSA-N 411.933 4.629 0 40 HJAB O=C(CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)Nc1cccnc1 58960095 GFWITJPALXJNEP-UHFFFAOYSA-N 424.835 4.942 0 40 HJAB COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)c3ccccc3)c3nccs3)C2)cc1 72341445 KQBLGLBANFPENM-IRLDBZIGSA-N 421.566 4.535 0 40 HJAB COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccco3)c3ccc(F)cc3F)c12 95474573 MNQGKTZJOUOYOF-QGZVFWFLSA-N 410.420 4.886 0 40 HJAB COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)C1 95983487 DLBNVIOZQVMSOH-CQSZACIVSA-N 406.935 4.515 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc3ncccc3c2)S1 96117644 FFMCXYCVKICOCE-VQIMIIECSA-N 408.527 4.741 0 40 HJAB O=C1/C(=C\Nc2ccncc2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 102328908 ARFNIMITRJMOQS-UYRXBGFRSA-N 409.367 4.740 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(C)cc1 223957165 MPWOYHFBDYDYKM-HSZRJFAPSA-N 422.550 4.985 0 40 HJAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1cccc(OC)c1 224585573 SWKCSNORECMYAI-UHFFFAOYSA-N 405.494 4.645 0 40 HJAB Cc1ccc(-c2nnc(NS(=O)(=O)Cc3ccc(Cl)cc3Cl)s2)cc1 224799454 LZHASQYKYRQTGO-UHFFFAOYSA-N 414.339 4.762 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 225169731 FEQQIBKWZXJWEX-HZPDHXFCSA-N 421.368 4.868 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 225170810 AZINWWDJLCEGBF-ROUUACIJSA-N 400.950 4.523 0 40 HJAB COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ncccc34)CCOCC2)cc1 225878304 CHDHWPJVDIZWFH-UHFFFAOYSA-N 420.509 4.718 0 40 HJAB CC[C@]1(C(=O)c2ccc(C)cc2)[C@@H]2c3c(ccc4ccccc34)OC(=O)[C@]21C(=O)OC 230010285 KQWIHRUGKSRLSB-RMUDUWAUSA-N 414.457 4.603 0 40 HJAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cc(C(C)C)no2)o1 257258515 KUIMMFDGKAKFBT-LJQANCHMSA-N 409.486 4.753 0 40 HJAB C[C@H](CCc1ccccc1Cl)Nc1cc(-c2cc(C(C)(C)C)nn2C)nc(N)n1 257275003 NNOUBRGOQIMMEB-CQSZACIVSA-N 412.969 4.843 0 40 HJAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257303982 SJOSUJITYZXBOQ-MRXNPFEDSA-N 420.900 4.815 0 40 HJAB O=S(=O)(N[C@H](c1ccsc1)c1cccs1)c1ccccc1Br 390826891 QPJVQHZJWHYMLF-OAHLLOKOSA-N 414.371 4.640 0 40 HJAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 623210 VZGNPWJXNYRHQC-DEOSSOPVSA-N 400.522 4.670 0 40 HJAB COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3ccccc3)o2)cc1 635365 AWPIHISZDNFYJI-UHFFFAOYSA-N 420.490 4.795 0 40 HJAB Cc1cc2ccccc2n2c(SCC(=O)Nc3ccc(F)c(Cl)c3)nnc12 783265 VUPXLYUEXSHPAK-UHFFFAOYSA-N 400.866 4.714 0 40 HJAB O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCO3)N1c1ccc(Br)cc1 1445525 GTIFBJBLXVSRDO-FQEVSTJZSA-N 423.266 4.949 0 40 HJAB O=C1C(Cl)=C(Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(Cl)cc1 1786185 JRLXLGYNQYCXPS-UHFFFAOYSA-N 415.198 4.790 0 40 HJAB COc1cccc([C@H](c2c(-c3ccccc3)n(O)c3ccccc23)N2CCOCC2)c1 2637959 QDKZGICMXQZMKI-RUZDIDTESA-N 414.505 4.976 0 40 HJAB Cc1ccc2[nH]c(SCc3nc4nc(C)cc(C)n4c3Br)nc2c1 2685781 LAJFTZBIGDEATR-UHFFFAOYSA-N 402.321 4.586 0 40 HJAB COc1cc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)cc(OC)c1OC 2747112 QKPZMZNRHYBICF-QHCPKHFHSA-N 404.466 4.792 0 40 HJAB O=C1[C@H](Cc2ccccc2)N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N12 2964389 UAYMEYGHQHIYOQ-NRFANRHFSA-N 415.493 4.960 0 40 HJAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1 3326900 NVFIBSDCKZFGPM-UHFFFAOYSA-N 403.406 4.728 0 40 HJAB Cc1ccc(-c2csc(NC(=O)[C@@H](NC(=O)c3ccccc3F)C(C)C)n2)cc1 3346624 UIQVBNQZHBYKFA-IBGZPJMESA-N 411.502 4.651 0 40 HJAB C[C@@H](NC(=O)CSC1=N[C@@H](C(F)(F)F)C[C@H](c2ccccc2)N1)c1ccccc1 4178742 KLTKPYODGQZHHJ-ZTFGCOKTSA-N 421.488 4.619 0 40 HJAB Cc1cccc(NCC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)c1 5012211 GQCKUUNRCOCWSI-UHFFFAOYSA-N 416.344 4.855 0 40 HJAB Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)c(C)n1CCc1cccs1 5185300 AOEROBHIFQORIG-UHFFFAOYSA-N 416.930 4.684 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccc(C)cc1 5477924 YFYGMWGQACGFJH-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB COc1ccc(CNC(=O)CSc2nc3ccccc3n2-c2cccc(C)c2)cc1 5694707 XXPXYJFQLIFKCJ-UHFFFAOYSA-N 417.534 4.751 0 40 HJAB COc1cc(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC 6258362 MQHOPMMSXQMTLP-UHFFFAOYSA-N 418.902 4.671 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)c(C)n1C 7130092 XJENYIPSOZXCAK-LLVKDONJSA-N 401.557 4.853 0 40 HJAB Cc1sc2nc(S[C@H](C)C(=O)N(C(C)C)C(C)C)n(CC(C)C)c(=O)c2c1C 7866250 QUZVWCQNUCZZHZ-MRXNPFEDSA-N 423.648 4.857 0 40 HJAB COc1cc2c(cc1/C=C/C(=O)N1CCC(c3nc4ccccc4o3)CC1)O[C@H](C)C2 8231766 SYMNTSDTHZFPKB-KXPUMZMLSA-N 418.493 4.579 0 40 HJAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1SCc1ccccc1 8329162 ZHMFMGMTJAEQQV-UHFFFAOYSA-N 404.491 4.916 0 40 HJAB Cc1ccc(O)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(Cc2ccco2)C3=O)c1 8606613 MLHCQZDSAJKJLL-QFIPXVFZSA-N 403.413 4.568 0 40 HJAB aggregator CCOc1ccc([C@@H]2NC(=S)NC3=C2CCc2ccccc23)cc1Br 9317349 ILMIVQSZGNQUCQ-SFHVURJKSA-N 415.356 4.724 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1c2ccccc2C[C@H]1C 9465087 BJQHRVJNWNSJQV-MRXNPFEDSA-N 424.497 4.526 0 40 HJAB Cc1cc(N2CCCC2)ccc1NC(=O)CCn1c(-c2cccs2)n[nH]c1=S 11574160 PQYIFEUSENRHRW-UHFFFAOYSA-N 413.572 4.607 0 40 HJAB Cc1nc(C)c(C(=O)N2C[C@@H]3[C@@H](CCC[C@@]3(O)c3cccc(C(F)(F)F)c3)C2)s1 12186298 FJKVFUWBHXVWGN-JNAXZKDPSA-N 424.488 4.539 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 12560174 AYRMAZPOFBJLFM-SFHVURJKSA-N 408.716 4.829 0 40 HJAB Cc1ccc(-c2cnc(CCC(=O)N3CCN(c4cccc(Cl)c4)CC3)o2)cc1C 12561699 OKDWCLSBFQZLEQ-UHFFFAOYSA-N 423.944 4.893 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 12594224 QYUWIRLUUXAHPA-LEWJYISDSA-N 417.534 4.924 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccccc2)cc1OC 13536766 NJHVRHMSDDWBDE-NBGIEHNGSA-N 416.477 4.955 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc(C)c1Cl 14401331 UUAFLVFVJMDZHF-OSICKASQSA-N 412.961 4.582 0 40 HJAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1cc(C)n(CCC2=CCCCC2)c1C 16313944 JCTVFHFOQAWZTE-UHFFFAOYSA-N 411.498 4.605 0 40 HJAB O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccncc3)CC[C@H]21 19405273 BJATZIBLCOLEAD-DNVJHFABSA-N 409.599 4.540 0 40 HJAB C[C@H](CN1CCC(O)(Cn2c(C(F)(F)F)cc3cccnc32)CC1)c1ccccc1 19456057 ZTZIVBISSBPRQI-QGZVFWFLSA-N 417.475 4.686 0 40 HJAB COc1cc(CNc2ncc(-c3cccs3)c(-c3nccs3)n2)cc(OC)c1 19595162 IEOWOGYYXIPHPR-UHFFFAOYSA-N 410.524 4.958 0 40 HJAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN(CCc2cccs2)C4)cc1 20647252 KLNANIMHXACFEO-UHFFFAOYSA-N 419.502 4.925 0 40 HJAB biogenic CN(C)c1ccc(CCC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1 21973596 SDEHGGXDKHORFF-LJQANCHMSA-N 409.555 4.507 0 40 HJAB CSc1ncc(Cl)c(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)n1 23012766 MPJAAGGAOZNPIL-UHFFFAOYSA-N 417.947 4.662 0 40 HJAB Cc1nc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)sc1CC(N)=O 24901606 BJCHIJZFVFZERC-NRFANRHFSA-N 421.547 4.677 0 40 HJAB COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc(Cl)c1OC 24991839 UIYUTGVTVYVYHD-UHFFFAOYSA-N 416.886 4.668 0 40 HJAB CCOc1ccccc1C(=O)Nc1nn(Cc2cccc(C)c2)cc1Br 27917388 KTJGQKQQFSBEGG-UHFFFAOYSA-N 414.303 4.653 0 40 HJAB C[C@@H](Cc1nnc(SCC(=O)N[C@@H]2CCCc3ccccc32)o1)c1ccccc1 32957346 LYNTZLZLYNNSRN-OXJNMPFZSA-N 407.539 4.702 0 40 HJAB COc1cc2c(cc1OC)CN([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)CC2 34863350 DFZBTMNYFZPVEW-XMMPIXPASA-N 420.484 4.581 0 40 HJAB Cn1c(SCC(=O)c2cccc([C@@H]3CC3(Cl)Cl)c2)nnc1-c1ccncc1 35670605 OLQOYEMBIGTKQN-HNNXBMFYSA-N 419.337 4.513 0 40 HJAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 38857669 DHWSFJAGDZAKBF-HNNXBMFYSA-N 420.340 4.803 0 40 HJAB Cn1c(-c2nc(C(=O)NCCc3c[nH]c4ccccc34)cs2)cc2ccccc21 38910449 AFJZZADMXVXLQS-UHFFFAOYSA-N 400.507 4.756 0 40 HJAB O=C(COc1ccc(Oc2ccccn2)cc1)N[C@@H](c1ccccc1)c1ccncc1 40060260 JJLGPIYXQJJIDA-VWLOTQADSA-N 411.461 4.554 0 40 HJAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COc3ccc(Cl)c4ccccc34)c2)n1 53469624 ZHPJHLNRZGZULD-UHFFFAOYSA-N 419.868 4.569 0 40 HJAB COc1ccc2cc(C(=O)N(C)CCCc3cc(-c4ccccc4)no3)c(C)nc2c1 58196092 ZHZMSQOMPBQJNQ-UHFFFAOYSA-N 415.493 4.912 0 40 HJAB CC(C)[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1nc(-c2cccnc2)no1 69560506 XNTUOZGBPZOZSR-HNNXBMFYSA-N 405.380 4.669 0 40 HJAB COc1c(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)sc(C)c1Br 78939017 OCGZHBYUUPBUHB-NSHDSACASA-N 420.332 4.504 0 40 HJAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccc(F)c2)C12CCCC2 96344497 COVNTUZANXZVCP-QFIPXVFZSA-N 408.517 4.794 0 40 HJAB Cc1cc(Br)ccc1N1C(=O)[C@H]2[C@@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C1=O 101059434 QTUXOXRRJXFRKM-UZKILMIQSA-N 410.311 4.687 0 40 HJAB Nc1nnc(-c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)o1 216816803 NNVNIOGOCKOASM-UHFFFAOYSA-N 415.074 4.967 0 40 HJAB CCOc1cc(C(=O)O)cc(Br)c1OCc1ccc(F)cc1Cl 216830431 ONOYXDMFDDSDRY-UHFFFAOYSA-N 403.631 4.918 0 40 HJAB CCc1ccc(OCC(=O)NCCSCc2ccccc2C)c(Br)c1 218861882 JYKXZWUGBHKLBI-UHFFFAOYSA-N 422.388 4.748 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 222741042 IOOFIMFFSIWERF-HXUWFJFHSA-N 408.586 4.822 0 40 HJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 222956598 IJXBQXCEZYLGQI-MRXNPFEDSA-N 401.528 4.826 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCOc1ccc2ccccc2c1 223628391 NJQOGYMNCFROFU-HNNXBMFYSA-N 414.299 4.565 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223797665 IRGREEDDVYAIDM-JOCHJYFZSA-N 414.977 4.996 0 40 HJAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCCCCC3)cc2)cc1Cl 224172352 UFDDAOFESVPKDY-UHFFFAOYSA-N 400.950 4.833 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1c1ccccc1 224179580 WVSHMQUMCHYDSS-PKTZIBPZSA-N 411.534 4.504 0 40 HJAB CCOC(=O)c1cc(NC(=S)N[C@H](CC)c2ccc(OC)cc2)ccc1Cl 225489859 RWKPDDRQJBBSBJ-GOSISDBHSA-N 406.935 4.963 0 40 HJAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCOCC4)cc3)CCCCC2)c1 225539704 VPUZDFGJNZDXTN-UHFFFAOYSA-N 422.569 4.547 0 40 HJAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC(C)CC1 225668541 SVCOJLNRHILTSY-UHFFFAOYSA-N 402.579 4.865 0 40 HJAB COc1ccc(OCC(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)cc1 257302788 SEKFVPNXBZVZDX-QFIPXVFZSA-N 424.472 4.546 0 40 HJAB CCOC(=O)c1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 408618074 BVMMIJGPJBDMKH-RNWQKYJXSA-N 405.494 4.946 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC=C[C@@H](C)[C@H]2C1=O 408671848 LQBMTJCZGXAEID-WIBUTAKZSA-N 408.885 4.602 0 40 HJAB Cc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3cccc4ccccc34)C2=O)cc1 409209612 HHDMFYZNUCSFED-BKUYFWCQSA-N 416.502 4.501 0 40 HJAB CC(C)c1ccc2c(c1)Cc1cccc(c1)CN(C1CCOCC1)CCOCCO2 643566918 ZORNHTJSDVVHHN-UHFFFAOYSA-N 409.570 4.791 0 40 HJAB O=C(c1ccc(-c2ccccc2C(F)(F)F)o1)N1CCc2ccc(O)cc2CC1 682823113 DXVLGOAVOKDGIH-UHFFFAOYSA-N 401.384 4.912 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)o1 862172 JIPBZFBXHVPHCB-UHFFFAOYSA-N 406.870 4.513 0 40 HJAB COc1ccc(NC(=O)[C@H](C)n2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 937726 QTBCYGHWHOQKBB-AWEZNQCLSA-N 419.506 4.642 0 40 HJAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1ccoc1C 1002091 DIKMMHSBSQWHSX-UHFFFAOYSA-N 415.467 4.763 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)N2N=C3CCCCC[C@@H]3[C@@]2(O)C(F)(F)F)c1 1101566 JFOGMNFBZIQMFT-OXJNMPFZSA-N 412.452 4.527 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc(C(=O)OC)c1C 1104792 QJRUWXGCNJBBSP-UHFFFAOYSA-N 423.490 4.939 0 40 HJAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(Br)cc3)c12 2409519 NFYOEOINHTWTKL-UHFFFAOYSA-N 401.256 4.688 0 40 HJAB CC(C)Oc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 2502552 RRPXCCBURKGGLM-QHCPKHFHSA-N 408.523 4.789 0 40 HJAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 2632290 WCVQIILIQBTCNK-UHFFFAOYSA-N 423.516 4.966 0 40 HJAB Cc1nn(CCCNC(=S)Nc2cccc3ccccc23)c(C)c1Br 2782547 JPIWODQAAVRNNP-UHFFFAOYSA-N 417.376 4.792 0 40 HJAB CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccs3)cc12 3255094 NZSADHQCMAUMHG-UHFFFAOYSA-N 407.513 4.951 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1C 3322472 OLPNMESFPFPLSB-UHFFFAOYSA-N 417.676 4.590 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)N3c4ccccc4C[C@@H]3C)s2)cc1C 3530064 IHPNNKOJSDSGCG-HNNXBMFYSA-N 410.568 4.968 0 40 HJAB O=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc(Cl)cc1 4036366 PBMBMKRKMYRUNI-UHFFFAOYSA-N 401.900 4.813 0 40 HJAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1nc(-c3ccc(F)cc3)cs1)[C@H]2C(=O)O 4179848 IVSADFKIURGWBT-JFTQMJAMSA-N 400.475 4.581 0 40 HJAB COc1cccc(CNC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c1 4743831 MQNDQDCCUHZPFS-UHFFFAOYSA-N 419.477 4.722 0 40 HJAB CCCCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@@H]1c1ccc(OC)cc1 4816569 GVNVCLGEGSTYSS-YADHBBJMSA-N 404.514 4.853 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O 5270844 FVUJKKZDNIUIPL-UHFFFAOYSA-N 409.219 4.734 0 40 HJAB COC(=O)c1c(C[C@@H](Cc2ccc3c(c2)CCCC3)C(=O)O)ccc2c1CCCC2 5537766 FHZMLZLDKUHDSZ-JOCHJYFZSA-N 406.522 4.717 0 40 HJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 6049361 QGNZJLRHTCKAPD-XOKHGSTOSA-N 402.409 4.746 0 40 HJAB CC(C)(C)c1ccc(OCc2nn3c([C@H]4COc5ccccc5O4)nnc3s2)cc1 6075460 CUUNCPOZXOHVHW-GOSISDBHSA-N 422.510 4.575 0 40 HJAB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 6598076 CFFZLIWBROPKMG-XMMPIXPASA-N 405.425 4.712 0 40 HJAB COC(=O)c1c(CSc2cccc[n+]2[O-])nc2ccccc2c1-c1ccccc1 6646800 NSJOSMAUDHFOHV-UHFFFAOYSA-N 402.475 4.614 0 40 HJAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(c2ccc(F)cc2)CC1 8074642 SLIUUSPXPOAPJY-UHFFFAOYSA-N 401.441 4.596 0 40 HJAB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc(Br)cc1 8471182 WJKVLJDTXKIRGB-HVUWCZLESA-N 406.279 4.898 0 40 HJAB Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)Nc2ccccc2)n1 9250092 ZZDHQQHNZVLTSF-UHFFFAOYSA-N 405.523 4.990 0 40 HJAB Cc1ccc(NC(=O)Cc2nc(CN(C)Cc3nc4ccccc4s3)cs2)cc1 9376549 KDSURYPUTZGBCR-UHFFFAOYSA-N 422.579 4.874 0 40 HJAB Cc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1NC(=O)c1ccco1 9594789 YAJBTVYGLDTBTI-UHFFFAOYSA-N 405.479 4.722 0 40 HJAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccnc2)cc1 10215687 RZVWGTYZSLYWKF-XUZZJYLKSA-N 401.466 4.731 0 40 HJAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)c1 10325145 VIAKGCCSOSGARF-SFHVURJKSA-N 420.534 4.696 0 40 HJAB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NCc1ccc(C(=O)O)cc1 10434345 HYRGRNNCXDNWNT-UHFFFAOYSA-N 418.927 4.570 0 40 HJAB C[C@H]1C[C@H](Sc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)C(=O)O1 12551378 ZQKCLZOGFKLWBB-SJCJKPOMSA-N 406.429 4.900 0 40 HJAB COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OC(C)C 12628633 LFMDTSMCCRSYED-GOSISDBHSA-N 413.905 4.989 0 40 HJAB COc1ccc2oc(C(=O)OCC(=O)N(Cc3ccccc3)C(C)(C)C)c(C)c2c1 12809724 MKTSSIBSSMXVDN-UHFFFAOYSA-N 409.482 4.734 0 40 HJAB COc1ccccc1CCC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 12972210 KTSILWWACNQNAQ-UHFFFAOYSA-N 411.889 4.522 0 40 HJAB COc1cccc(-c2nc(CSCC(=O)N3CCC(c4ccccc4)=N3)cs2)c1 12978107 NXFSBRMWGXPZTB-UHFFFAOYSA-N 423.563 4.689 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)CCCc2nc3ccccc3s2)cc1OC 13010550 DOFIFLGEFUMVIA-GOSISDBHSA-N 410.539 5.000 0 40 HJAB COc1ccc(CN(CC[C@]2(c3ccccc3)C[C@H](C)N(C)C[C@@H]2C)C(C)=O)cc1 13756243 UCRIIXJATPHSML-WOVHNISZSA-N 408.586 4.732 0 40 HJAB COc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C 14069838 OSHLTNRJYAQZDV-UHFFFAOYSA-N 423.325 4.528 0 40 HJAB CN(C(=O)c1ccccc1C(=O)OCc1coc(-c2ccccc2)n1)c1ccccc1 15125180 UMXMEWCLIKLJTO-UHFFFAOYSA-N 412.445 4.975 0 40 HJAB C[C@@H](c1ccccc1)N(C)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 15538124 RIBVVAJJKYAGGH-IBGZPJMESA-N 400.522 4.912 0 40 HJAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(Br)cc1 17092569 WARULJDYSSHINP-UHFFFAOYSA-N 421.250 4.502 0 40 HJAB C[C@@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cc2C1 18039521 OAVDIQADDOMXEP-LLVKDONJSA-N 411.354 4.890 0 40 HJAB CCn1c(SCc2cccc(C(=O)O)c2)nnc1-c1ccc(Br)cc1 19927675 DUYQYCUELGSXOT-UHFFFAOYSA-N 418.316 4.718 0 40 HJAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccc(F)c2)N2CCOCC2)c1C 20192448 XNHPXWYVIRDPEF-FQEVSTJZSA-N 414.502 4.771 0 40 HJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(OC)cc4)cc3n2)cc1 20611221 OJUQWOULQBUTDI-NTEUORMPSA-N 412.493 4.952 0 40 HJAB COc1ccc(-c2nc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cs2)cc1OC 21630269 QRSDYEAIZHXRSS-UHFFFAOYSA-N 424.400 4.978 0 40 HJAB O=C(Cc1ccc(O[C@H]2CCCCO2)cc1)c1ccc(O[C@H]2CCCCO2)cc1O 21982292 OWTDXASPDWYLTG-ZEQRLZLVSA-N 412.482 4.628 0 40 HJAB Cc1ccccc1-c1cc(C(=O)Nc2c(C)nn(C)c2C)c2cnn(C(C)C)c2n1 22389307 QUAOQUULHKHAOZ-UHFFFAOYSA-N 402.502 4.590 0 40 HJAB COc1cc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)ccc1OCC(=O)O 23162613 YNTUQQBMLCOCQY-DUXPYHPUSA-N 420.248 4.890 0 40 HJAB c1ccc2c(c1)CCC[C@@H]2Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 25397140 DJDNZWVBGPOKAG-IBGZPJMESA-N 420.582 4.502 0 40 HJAB O=C1CCCc2[nH]c(=O)c(C(=O)Nc3ccc(Oc4ccccc4Cl)cc3)cc21 26016158 DJZCGRMHODQURI-UHFFFAOYSA-N 408.841 4.592 0 40 HJAB Cc1c(NC(=O)c2ccc(Cl)cc2)cc(S(=O)(=O)c2ccccc2)c(O)c1C 26786983 GCSSUFIPIDOFCL-UHFFFAOYSA-N 415.898 4.748 0 40 HJAB Cc1cccc(CSc2nnc(Nc3ccccc3Cl)c(=O)n2-n2cccc2)c1 28536488 HWZZQXMTJSVNEP-UHFFFAOYSA-N 423.929 4.749 0 40 HJAB Cc1cc(C)c2[nH]c(CSCC(=O)Nc3cc(Cl)ccc3C)cc(=O)c2c1 33064071 YETRRGCLZAORQB-UHFFFAOYSA-N 400.931 4.979 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)n[nH]2)cc1 35317079 LWLUTRYEUPOGNL-QGZVFWFLSA-N 404.514 4.712 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc(Cl)s2)c(OC)c1 40009667 RBXGRSWRBIZEIQ-OAHLLOKOSA-N 407.919 4.745 0 40 HJAB Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)C2CCC2)CC1 72345139 FPMMDVNPNORTEA-UHFFFAOYSA-N 418.581 4.702 0 40 HJAB Cn1ccnc1C(=O)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72350236 HQUVFNGWSBVXDP-INIZCTEOSA-N 414.431 4.521 0 40 HJAB Cn1cnc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc21 72356478 NTFKYJQXOGOXNG-LJQANCHMSA-N 414.484 4.794 0 40 HJAB CC(C)c1ccc(OCCc2cc([C@H]3CCN(C(=O)Cc4ccccc4)C3)n[nH]2)cc1 72380103 LKQFFFANWVOJRJ-QFIPXVFZSA-N 417.553 4.713 0 40 HJAB O=C(c1ccoc1)N1N=C(C2CC2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 89885112 DUUKMDIAUSAGAZ-KRWDZBQOSA-N 409.829 4.563 0 40 HJAB O=C1C[C@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)C2)Oc2ccccc21 96367444 BGFLDPAFOIRAQW-QHCPKHFHSA-N 409.913 4.788 0 40 HJAB COc1ccc(C2(O)C[C@H]3CC[C@H](C2)N3Cc2c(C(C)(C)C)[nH]c3ncccc23)cc1 100736510 LQNOUHLSVPDEEH-RTBURBONSA-N 419.569 4.884 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1 222540167 DLNAPBGQOZLYJS-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 222676429 QRFDOFVBWZAYFQ-IBGZPJMESA-N 412.599 4.728 0 40 HJAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc21 223115832 FVWBNVZTECJALZ-UHFFFAOYSA-N 419.934 4.628 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCC(C)C 223125793 COCJJAZURLHKLX-JOCHJYFZSA-N 414.977 4.852 0 40 HJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(C)c(C)c1 223163722 UFKCQWOPWMQBTK-LEYFIJQKSA-N 402.494 4.935 0 40 HJAB Cc1ccc(CN(C(=O)CCSc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 224177603 CPRULHGTDFTTTC-HXUWFJFHSA-N 412.599 4.667 0 40 HJAB Cc1cc(Cc2ccccc2)cc([C@H]2CN(Cc3c(C)nn(C(C)C)c3C)CCO2)n1 257223400 DXEHPFCCHWIDJT-AREMUKBSSA-N 418.585 4.949 0 40 HJAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C2CCC2)CC1 257251896 JSSWLVQOGRGJNY-UHFFFAOYSA-N 418.581 4.750 0 40 HJAB C[C@]1(NC(=O)CCO)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cc(Cl)ccc2O)C1 257273737 NHYNVCARRXGDQE-ZVDOUQERSA-N 424.324 4.549 0 40 HJAB Cc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 260723062 WOZZVIGYCCOPDT-INIZCTEOSA-N 421.570 4.768 0 40 HJAB CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(CC)cc2)C1=O 408600859 GSRVCNUMJJDDPO-XSFVSMFZSA-N 424.522 4.713 0 40 HJAB COCCN1C(=O)S/C(=C/c2cccc(OCc3ccccc3Cl)c2)C1=O 409200180 HJKLXJVGYQAHFJ-LDADJPATSA-N 403.887 4.602 0 40 HJAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 409327614 LPFFVVVDNQOUOW-YVLHZVERSA-N 400.887 4.577 0 40 HJAB CCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(C)C)cc2)C1=O 409358355 LMWYDVAKAGMIDX-DEDYPNTBSA-N 424.522 4.884 0 40 HJAB C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@H]4[C@@H]3CN2C1 584567105 NEMWYOKGHGSVSC-GSGWVTHISA-N 415.662 4.563 0 40 HJAB O=C1NCCc2ccccc2[C@@H](c2ccccc2)N1C1CCN(C2CCCC2)CC1 1615529678 LSQLFVVZAIDKOX-RUZDIDTESA-N 403.570 4.751 0 40 HJAB CCOc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(C)(c4ccccc43)[C@@H]2C1=O 712954 NNSISMTZEFLICQ-ZCOIRKDISA-N 409.485 4.656 0 40 HJAB biogenic CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)Nc1ccccc1C 886983 SUUBJXGRBLNKML-QGZVFWFLSA-N 409.559 4.646 0 40 HJAB COc1cc(/C=C2/N=C(c3ccco3)OC2=O)cc(Cl)c1OC(=O)c1ccccc1 1067505 JBBDOMVCAXSESN-LFIBNONCSA-N 423.808 4.505 0 40 HJAB CC(=O)O[C@@H]1C[C@H](C)N(C(=O)c2ccc(Br)cc2)c2ccc(C)cc21 2273176 AULWGLLOQORMQI-ORAYPTAESA-N 402.288 4.801 0 40 HJAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1F 2376831 JETKMUONIKYGPL-UHFFFAOYSA-N 408.458 4.622 0 40 HJAB Cc1ccc(C(=O)CCCCC2OCC(C)(C)CO2)cc1I 2518165 CINSFWVMFRFIOM-UHFFFAOYSA-N 416.299 4.742 0 40 HJAB COc1cc2c(cc1OC)[C@H](COc1ccc(C(C)C)cc1)N(C(=O)C1CC1)CC2 2980255 WTHRMLJGWQCIBB-QFIPXVFZSA-N 409.526 4.742 0 40 HJAB CCCCOC(=O)c1ccc(NCC(=O)Nc2ccc(Br)c(C)c2)cc1 3321751 AHICKWYEKPGQRX-UHFFFAOYSA-N 419.319 4.765 0 40 HJAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc2ccc(F)cc2s1 3431151 LJASELDKDJLZBO-UHFFFAOYSA-N 406.438 4.684 0 40 HJAB CCn1c(S[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1cccs1 4516559 GJVRTXVGQLONOW-RHSMWYFYSA-N 412.584 4.701 0 40 HJAB CCOc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(C)cc1 4518156 JLMOVMDWEPUCLR-UHFFFAOYSA-N 419.529 4.950 0 40 HJAB Cc1ccc([C@@H]2N=C(Nc3cccc(Cl)c3Cl)Nc3nc(C)cc(=O)n32)cc1 4737009 UYEHVAZRNYAFRN-GOSISDBHSA-N 414.296 4.607 0 40 HJAB COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccc(Cl)cc2)ccc1O 4776229 HAZRINAWSLTYFD-PMOQBDJRSA-N 401.934 4.923 0 40 HJAB CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 4835714 QUYJHTSIMUXNJU-IBGZPJMESA-N 406.555 4.818 0 40 HJAB COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)c1 5186164 ICSNMCWEKQKFEQ-PXDATVDWSA-N 416.477 4.955 0 40 HJAB CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(c1cc(C)on1)C3=O 5345012 OADQGNIONILBLL-HXUWFJFHSA-N 404.397 4.541 0 40 HJAB CCNC(=O)c1c(NC(=O)Cc2coc3ccc(CC)cc23)sc2c1CCCC2 6809822 BUYLTLXLIHTRDV-UHFFFAOYSA-N 410.539 4.866 0 40 HJAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cc2ccccc2)c1 7344822 UPHIXYSXHYMZST-UHFFFAOYSA-N 422.550 4.560 0 40 HJAB COc1ccc(Cl)cc1-c1nnc(SCc2nnc(-c3cccc(C)c3)o2)[nH]1 7692972 PXKFBMQEOBASSA-UHFFFAOYSA-N 413.890 4.784 0 40 HJAB CCOc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)cc(OCC)c1OCC 7755863 CJIYOUTZZKSNKS-UHFFFAOYSA-N 411.420 4.832 0 40 HJAB O=C(COc1ccccc1-c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8156161 ZCSDELFGZOTJMB-QFIPXVFZSA-N 415.489 4.867 0 40 HJAB Fc1ccc([C@@H]2c3[nH]cnc3CCN2C(=S)Nc2ccc(C(F)(F)F)cc2)cc1 9382426 WLEADXSKRWMVBO-GOSISDBHSA-N 420.435 4.912 0 40 HJAB COc1ccc(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@@H]3C(F)(F)F)cc1 9410413 BACLCLWSXIOKNZ-GOEBONIOSA-N 422.432 4.866 0 40 HJAB CC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 9562876 OETBDCWXNLYTEP-UHFFFAOYSA-N 411.323 4.728 0 40 HJAB Cc1c(Cl)c(CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)nc2ccccc12 9949157 CZNRLTUIAUDQFK-OAQYLSRUSA-N 411.914 4.542 0 40 HJAB C[C@H](Sc1nnc(-c2cccnc2)o1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 10202949 HWKWNRLJLHKKEF-JTQLQIEISA-N 423.479 4.543 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(OC)cc2)sc2c1CCCC2 11636917 JSAWVPBDMZJBMN-KRWDZBQOSA-N 417.527 4.608 0 40 HJAB COc1ccc(Cl)cc1-n1c(N)c(C(=O)NCc2ccc(C)cc2)sc1=S 12416085 KFKLYFDTTLMQMO-UHFFFAOYSA-N 419.959 4.751 0 40 HJAB C[C@H](NC(=O)CCn1cnc2scc(-c3ccc(F)cc3)c2c1=O)c1ccccc1 12782347 JBXUDSBBBROZMR-HNNXBMFYSA-N 421.497 4.532 0 40 HJAB CCc1cccc(C)c1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 12938777 YOAYGTYMIXFMLT-UHFFFAOYSA-N 409.536 4.696 0 40 HJAB O=C1Cc2cc(C(=O)CSc3nnc(-c4ccccc4)c4ccccc34)ccc2N1 12975797 REXRDJCUYNJGOW-UHFFFAOYSA-N 411.486 4.766 0 40 HJAB O=c1c2c(-c3ccccc3)csc2ncn1Cc1nc(-c2cccc(Cl)c2)no1 12985596 JKUPBTGWIXHITD-UHFFFAOYSA-N 420.881 4.877 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1Cl 13021022 RVJQWQVVFVAVFV-UHFFFAOYSA-N 403.269 4.698 0 40 HJAB CCc1cccc(CC)c1NC(=O)[C@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716523 LLUCVLKJWBGPEB-NRFANRHFSA-N 416.587 4.612 0 40 HJAB CCc1nnc(NC(=O)c2cc(-c3ccc(OC)cc3OC)nc3ccccc23)s1 13954005 AWZWHTKQSSPFED-UHFFFAOYSA-N 420.494 4.585 0 40 HJAB COc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(C)c4)nccn3n2)cc1 17052774 QAJRYDHUXQUDLS-UHFFFAOYSA-N 418.522 4.753 0 40 HJAB COc1ccc2oc(-c3cccc(NC(=S)NC(=O)Cc4ccccc4)c3)nc2c1 17091071 FHABSRTVVWIZGN-UHFFFAOYSA-N 417.490 4.559 0 40 HJAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)c4ccccc4F)C3)noc2n1 19568817 ABTZKAHFAANAKR-GFCCVEGCSA-N 407.367 4.709 0 40 HJAB COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)c(C)c1C 19577335 JJKKJDIFSMJYBC-RCZVLFRGSA-N 421.585 4.577 0 40 HJAB CCn1cc(CN2CCC(c3cc(Cc4ccc(OC)cc4)cc(C)n3)CC2)c(C)n1 19691846 KTOAICMJJFPAOY-UHFFFAOYSA-N 418.585 4.894 0 40 HJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1c(C)cc(C)cc1Cl 20144401 YXQMKSVGPVGBOX-UHFFFAOYSA-N 415.873 4.735 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1cc2cc3c4c(c2oc1=N)CCCN4CCC3 20237360 ZWVAOLLTHDNRGK-UHFFFAOYSA-N 423.900 4.525 0 40 HJAB COc1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c(OC)c1OC 20493596 YBNIVRRXBAXODS-BRGVFWSASA-N 417.505 4.940 0 40 HJAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCc3coc(-c4ccccc4)n3)c12 23219972 GNJIUCRKEXOOHW-UHFFFAOYSA-N 424.460 4.956 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncnc4ccccc34)cc2)cc1C 24057594 GUJMRMCVYSAKLU-UHFFFAOYSA-N 419.506 4.864 0 40 HJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(Br)cc1)CC(O)=N2 32103572 BTCBKHRMKFTXBF-GFCCVEGCSA-N 418.682 4.510 0 40 HJAB O=C(NCCC1=CCCCC1)[C@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290482 FEPCACYUNHRBHN-SFHVURJKSA-N 404.514 4.599 0 40 HJAB CSc1ccc(-c2nnc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)o2)cc1 36693205 OWWQDVGHPCMZNA-UHFFFAOYSA-N 403.891 4.908 0 40 HJAB Cc1cc(C)n(-c2cccc(CN(CCCn3ccnc3)Cc3ccc(C)o3)c2)n1 36740271 MFOKZHCYVWHTRY-UHFFFAOYSA-N 403.530 4.680 0 40 HJAB Cn1c(C2CCC(CNC(=O)Cn3ccc4ccccc43)CC2)nc2ccccc21 38671739 RPGASXFCEDMJJD-UHFFFAOYSA-N 400.526 4.618 0 40 HJAB Cc1ccc([C@@H](CNCc2ccc(-c3nc4ccccc4s3)o2)N2CCOCC2)o1 40017174 KILLCUMVJKXZKH-LJQANCHMSA-N 423.538 4.621 0 40 HJAB CC(C)(C)c1csc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)n1 40129447 OUMBGOPVXRHYAE-UHFFFAOYSA-N 414.552 4.667 0 40 HJAB CC(=O)NCc1ccc(-c2csc(NC(=O)CCCc3ccc(Cl)cc3)n2)o1 44375466 JAXFOXWPFMFLKD-UHFFFAOYSA-N 417.918 4.654 0 40 HJAB CCOC(=O)c1cc(NC(=O)CCc2ccc(OCC)c(OCC)c2)ccc1Cl 44900162 BHGRSUHZQHMRID-UHFFFAOYSA-N 419.905 4.885 0 40 HJAB CC(=O)Nc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc23)cc1 49004770 YZOGYUVVMJPASD-UHFFFAOYSA-N 417.513 4.656 0 40 HJAB C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 57994970 MYRNJIQMNYQWDR-WCQYABFASA-N 415.342 4.563 0 40 HJAB Cc1noc(C(C)C)c1C(=O)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58169307 LXMFHBUUDCYRCI-UHFFFAOYSA-N 414.456 4.795 0 40 HJAB COc1ccc([C@@H]2SCC(O)=Nc3c2cnn3C)cc1OCc1ccc(C)cc1 61718400 XYFBQHSREHXCDO-NRFANRHFSA-N 409.511 4.740 0 40 HJAB CCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)cc1C 72304065 GODUUXYOHGDTFZ-KRWDZBQOSA-N 417.575 4.774 0 40 HJAB CCN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[C@@H](C)c1cccc(O)c1 72308229 BHAJQDWBFLDTGI-INIZCTEOSA-N 423.538 4.728 0 40 HJAB CCOC(=O)CC1CCC(c2ccc(C3=Nc4c(N)ncnc4OC3(C)C)cc2)CC1 91297500 IOWHICQEHISTTR-UHFFFAOYSA-N 422.529 4.578 0 40 HJAB Cc1cccn2c(=O)c3cc(C(=O)N4CCCC[C@@H]4c4ccccc4)sc3nc12 96347315 SAYHBCPAIQPEAJ-GOSISDBHSA-N 403.507 4.585 0 40 HJAB COc1ccc(CNC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)cc1OC 102804552 RYDFHTRPVLICSI-WSQGFLFRSA-N 405.538 4.858 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223894162 QWYUWMYKEBQTLI-AOMKIAJQSA-N 409.526 4.760 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 224213995 FRIBHXUHBQXKSF-JOCHJYFZSA-N 412.599 4.562 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 224238675 HAARTPQMTIGXDM-DEOSSOPVSA-N 422.569 4.548 0 40 HJAB Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC2CCCC2)cc1 225375066 YTUJCKPJGJRXDK-PKTZIBPZSA-N 418.566 4.919 0 40 HJAB O=C(CCc1ccc(Cl)cc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1 225380587 MIJOTWNRRDEAEY-UHFFFAOYSA-N 410.688 4.946 0 40 HJAB COC(=O)c1ccc(C)c(NC(=S)NCCCSCc2cccc(C)c2)c1 225603702 DBASUQHFXTYGLF-UHFFFAOYSA-N 402.585 4.700 0 40 HJAB Cc1noc(C)c1CCC(=O)N1CC[C@@H](Nc2ccccc2)[C@@H](Cc2ccccc2)C1 257245226 IOOODXSHLOBHBP-WIOPSUGQSA-N 417.553 4.796 0 40 HJAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4OC(C)C)OCC[C@@]31C2 257330485 XOQDNBPIYLANCT-RPMDWDEOSA-N 415.574 4.509 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 408629128 ZSFQJPGLKBMZEN-UHFFFAOYSA-N 403.507 4.628 0 40 HJAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1F 408701458 YHDLNTUZJSCBQV-UHFFFAOYSA-N 402.285 4.521 0 40 HJAB CCCCCCOC[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]12 504810179 OXLUIJSXMUVGQM-MLBCHFTJSA-N 424.578 4.828 0 40 HJAB biogenic CCOc1ccccc1OCc1nn2c(CSCc3ccccc3)nnc2s1 1501039937 NDBAWDGODKQWHJ-UHFFFAOYSA-N 412.540 4.597 0 40 HJAB CC(C)c1cc(CSc2nnc3c4cc(Br)ccc4n(C)c3n2)no1 1505840451 AICOOBFUJCJLBW-UHFFFAOYSA-N 418.320 4.683 0 40 HJAB C[C@@H](c1ccccc1)n1cc(NC(=O)Nc2cnn([C@H](C)c3ccccc3)c2)cn1 1672545634 MONLOECGEAXMSL-HDICACEKSA-N 400.486 4.942 0 40 HJAB Cc1cnc(Nc2cccc([C@@H]3CN(C(=O)CCC4CCCCC4)CCO3)n2)s1 2037834815 SUQBOOCAPBBZKN-IBGZPJMESA-N 414.575 4.851 0 40 HJAB c1ccc2c(c1)CCO[C@@H]2CNCCCCCCCNC[C@@H]1OCCc2ccccc21 2098888 RLNGRBNBYVHQMZ-MKPDMIMOSA-N 422.613 4.744 0 40 HJAB biogenic COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)cc1 2105436 YCTBWOYOWHIENS-QHCPKHFHSA-N 411.457 4.590 0 40 HJAB biogenic Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccc(Cl)cc3Cl)ccc12 2433386 ZRMVAULGBWIOJE-UHFFFAOYSA-N 407.249 4.923 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccnc2Oc2ccccc2)CC1 2571180 QFWNHGJVYQWNDU-UHFFFAOYSA-N 407.901 4.798 0 40 HJAB O=C(N[C@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1ccc(F)cc1 2682442 YTBMKVWWMBSRMN-FQEVSTJZSA-N 416.374 4.895 0 40 HJAB O=C(COC(=O)COc1cc(Cl)c(Cl)cc1Cl)NC1CCCCCCC1 3318031 KMMTWZMCUAYRSN-UHFFFAOYSA-N 422.736 4.798 0 40 HJAB Cc1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c2ccccc2n1 3343062 PQKDMCKCVURJBE-UHFFFAOYSA-N 424.456 4.570 0 40 HJAB COCCCn1c(C)cc(C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c1C 3379097 UUNLZSFFNXPEJR-UHFFFAOYSA-N 423.484 4.773 0 40 HJAB CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 4696173 NDHCFLIBRDUTKA-INIZCTEOSA-N 403.891 4.567 0 40 HJAB Cc1ccc(S(=O)(=O)N2c3ccccc3N(C(=O)c3ccccc3)[C@H]2C(C)C)cc1 4778677 AGFJMPNGBCAUNB-HSZRJFAPSA-N 420.534 4.833 0 40 HJAB Cc1ccc(C)c(NC(=O)O[C@H](C)CNC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1 4833024 ICXMOYCZBCELQD-KEYYUXOJSA-N 413.345 4.948 0 40 HJAB COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)CC2 5389180 KAYFORKSFLUEML-GFCCVEGCSA-N 409.313 4.568 0 40 HJAB Cc1ccc(OCc2nc3ccccc3n2C[C@@H](O)COc2ccc(C)cc2)cc1 5588916 HAHWHNKTXTUHMM-HXUWFJFHSA-N 402.494 4.672 0 40 HJAB CCCN(CC(=O)Nc1ccccc1C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 6638221 CZIOUGBWFBOVFG-LJQANCHMSA-N 403.526 4.826 0 40 HJAB CCCCn1nnnc1NCc1cc(Cl)ccc1OCc1ccccc1Cl 7262138 YHRFWRBTSVLCEN-UHFFFAOYSA-N 406.317 4.971 0 40 HJAB COc1ccc([C@@H](NC(=O)CN2CCC[C@@H]2c2cccs2)c2ccccc2)cc1 7606425 WPBDKNVLMQCNAY-QPPBQGQZSA-N 406.551 4.799 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(OCc2ccccc2)cc1 8312497 ZIGCWOIRPHQAGB-UHFFFAOYSA-N 402.494 4.593 0 40 HJAB CCCc1nnc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)s1 8917376 JGBMRMZKIXBKMR-UHFFFAOYSA-N 423.926 4.618 0 40 HJAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 9063659 ITYRCEDYAVYABW-UHFFFAOYSA-N 418.896 4.507 0 40 HJAB Cc1cc(NC(=O)c2ccc(Oc3ccc(C(=O)Nc4cc(C)on4)cc3)cc2)no1 11666994 HAUDCAWLZARFIZ-UHFFFAOYSA-N 418.409 4.576 0 40 HJAB CCN(C(=O)COC(=O)c1nc(Cl)ccc1Cl)c1cccc2ccccc12 11711090 LPGZFZSLFLVKMJ-UHFFFAOYSA-N 403.265 4.752 0 40 HJAB CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 12063002 JACIYACCCUMGBS-AWEZNQCLSA-N 415.877 4.812 0 40 HJAB C[C@@H](c1nnc(SCC(=O)c2cc3ccccc3o2)n1-c1ccc(F)cc1)N(C)C 12564375 RGOFPMYIIPBUSV-AWEZNQCLSA-N 424.501 4.750 0 40 HJAB CSCC[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccccc1 12616089 KLXSKEYXOCVRNC-LJQANCHMSA-N 405.523 4.902 0 40 HJAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1OC(F)F 12972162 IQSFAUMKLFAJKP-UHFFFAOYSA-N 414.330 4.908 0 40 HJAB COc1ccc(NC(C)=O)cc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C 14793492 ZAXOJVYPCFPFKI-UHFFFAOYSA-N 417.824 4.662 0 40 HJAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cccc(C2SCCCS2)c1 18112353 ZHGHWAZFCONSBA-KRWDZBQOSA-N 416.593 4.997 0 40 HJAB O=C(c1cccnc1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373249 BBIXGEDBDZYDCM-QFIPXVFZSA-N 422.492 4.655 0 40 HJAB Cc1cccc(CN(CCc2ccccc2)C(=O)c2cn3cc(Cl)ccc3n2)n1 19716743 ZCVMGNJNRWCMFH-UHFFFAOYSA-N 404.901 4.576 0 40 HJAB CSc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)c1 20061655 LUYLQDAVSLEFMB-UHFFFAOYSA-N 418.584 4.534 0 40 HJAB COc1ccc(-c2nc3cc(NC(=O)COc4cccc(C)c4)ccc3o2)cc1OC 20412024 WACKWJKGRNIMLJ-UHFFFAOYSA-N 418.449 4.838 0 40 HJAB O=C(CSc1nnc(Nc2ccccc2F)s1)N1CCC[C@H]1c1cccs1 21844544 OMTQUIYBYJFYHN-AWEZNQCLSA-N 420.560 4.938 0 40 HJAB COc1ccccc1CNc1ncccc1C(=O)Nc1ccccc1Br 22072698 WZSOJPDYNPCZPD-UHFFFAOYSA-N 412.287 4.717 0 40 HJAB COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1c(F)cccc1Cl 22074788 KQJCQXKAGFDYIY-NRFANRHFSA-N 415.892 4.890 0 40 HJAB Cc1ccccc1Cn1nc(-c2cccs2)c2sc(N3CCCCC3)nc2c1=O 23108918 TVSNNYAAYQYILF-UHFFFAOYSA-N 422.579 4.929 0 40 HJAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)cc(OC)c1OC 36356898 FUTASTXUDZWROS-OAHLLOKOSA-N 413.861 4.675 0 40 HJAB COc1cccc(-c2cc(C(=O)NCc3ccccc3Cl)c3c(C)nn(C)c3n2)c1 36616772 UGQHHZCBWSSYCA-UHFFFAOYSA-N 420.900 4.536 0 40 HJAB CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 40151529 ZJUGRVBFRKNZID-UHFFFAOYSA-N 411.523 4.504 0 40 HJAB CC[C@H](C)[C@H](NC(=O)c1sc(-c2c(Cl)cccc2Cl)nc1C)C(=O)O 40285327 XXMCJZKVYVTFMI-SDBXPKJASA-N 401.315 4.654 0 40 HJAB Cc1nc2ccccc2nc1COC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 48230750 UFBBQKCZSGRWEO-UHFFFAOYSA-N 403.486 4.744 0 40 HJAB CC(C)c1ccc(C(=O)Cn2nc(-c3ccccc3Br)ccc2=O)cc1 57486324 DMVUJZFUEDJVDC-UHFFFAOYSA-N 411.299 4.679 0 40 HJAB C[C@H](NC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)c1ccccc1 57487312 YPRHHTJHNVGLLN-HNNXBMFYSA-N 406.873 4.736 0 40 HJAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(Cl)cc1 57555121 DXDOGSJEVFFAPO-UHFFFAOYSA-N 405.929 4.915 0 40 HJAB CCOc1ccc(-c2nc(C[S@@](=O)Cc3cccc(OC)c3)cs2)cc1OC 58129612 BDQBGVYUYNGTSE-MUUNZHRXSA-N 417.552 4.675 0 40 HJAB O=C(CC[S@](=O)Cc1csc(Br)c1)Nc1ccc(Cl)cc1F 64830458 PVHDSZABWFUARC-JOCHJYFZSA-N 424.744 4.581 0 40 HJAB COc1ccc(-c2csc(-c3nnn(-c4ccc(F)cc4C)c3C)n2)cc1OC 67341655 GMJSHJWMIBRVOE-UHFFFAOYSA-N 410.474 4.831 0 40 HJAB Cc1nc(NC2CCCCC2)sc1C(=O)NC1CCN(Cc2ccccc2)CC1 71326738 DEHWJZZHSBTZLO-UHFFFAOYSA-N 412.603 4.591 0 40 HJAB Cc1ncc(-c2ccncc2C)c([C@H]2CCCCN2C(=O)CCc2ccccc2F)n1 72390698 ZVWCKDMABFHRKO-HSZRJFAPSA-N 418.516 4.981 0 40 HJAB CC(=O)C1(c2ccccc2)CCN(Cc2c(C(F)(F)F)[nH]c3ncccc23)CC1 72393709 LTZPTYDCHZDNDQ-UHFFFAOYSA-N 401.432 4.705 0 40 HJAB COc1cc(NC2=NC(=O)S/C2=C\c2ccc3ncccc3c2)cc(OC)c1OC 72400560 VRTUGUQEGFJBLI-GRSHGNNSSA-N 421.478 4.979 0 40 HJAB CO[C@H]1CCN(c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)C1 96122282 LUOXUGWHIPNTDN-HNNXBMFYSA-N 409.711 4.580 0 40 HJAB COc1ccc([C@@H]2CC3=Nc4nonc4N[C@H](c4ccc(F)cc4)C3=C(O)C2)cc1 102739430 KPKJPAXKIZJFDQ-JLTOFOAXSA-N 406.417 4.846 0 40 HJAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCSc1ccc(Cl)cc1 222393950 ORVCKYITSAJENF-KRWDZBQOSA-N 418.990 4.684 0 40 HJAB CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC 222577503 ZLUTUYGNNNJSBN-IGNZVWTISA-N 403.935 4.732 0 40 HJAB Cc1cccc(-c2noc(CNC(=O)CCCSc3ccc(Cl)cc3)n2)c1 222696520 IDPIGWOKOVUYDN-UHFFFAOYSA-N 401.919 4.887 0 40 HJAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(Cl)c1Cl 223422339 PSZPDVFRJQDMCK-ZDUSSCGKSA-N 402.343 4.967 0 40 HJAB CC(C)Sc1nnc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)s1 224232168 UVKCZRMXVLYPCM-UHFFFAOYSA-N 424.595 4.849 0 40 HJAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl 224944370 WQMWXBYRFCXCKJ-UHFFFAOYSA-N 422.717 4.649 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2Cl)c1C 225200753 FUDZKSQJGLLUOY-OAHLLOKOSA-N 408.951 4.532 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225482353 UJZZVOSLRDHHAF-YKSBVNFPSA-N 424.585 4.911 0 40 HJAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@@H](C)C(=O)NC(C)C 225492713 KIYFADQTKLSTBW-NRFANRHFSA-N 408.586 4.993 0 40 HJAB CSc1ccc(CCC(=O)N2CCC(Oc3cccc4cccnc34)CC2)cc1 238847746 ISOYAXWKEAWSBR-UHFFFAOYSA-N 406.551 4.959 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2Cl)c1 408543515 DYHHUCCPPKZHDZ-UHFFFAOYSA-N 408.951 4.534 0 40 HJAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 408585555 ZPDQVEBWMREEGZ-UHFFFAOYSA-N 415.559 4.766 0 40 HJAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cccc(Br)c2)S1 408812465 WPKFAABAJZIVOQ-UHFFFAOYSA-N 424.727 4.874 0 40 HJAB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1ccc(O)cc1O 408840747 ZXIHDJMNVDXQCZ-LFYBBSHMSA-N 406.246 4.964 0 40 HJAB CCc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ncccc3C)cs2)cc1 585273796 RUPBRUWANJFXFQ-OAQYLSRUSA-N 406.555 4.998 0 40 HJAB O=C(Nc1ccc(OCc2cn3ccccc3n2)cc1)c1cc(-c2ccccc2)[nH]n1 592053112 GPTPSOMZRXQMSU-UHFFFAOYSA-N 409.449 4.556 0 40 HJAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cc(C)ccc1C 684369 BMYYXNQEXJEIBP-OAQYLSRUSA-N 406.511 4.712 0 40 HJAB CCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(C)c2ccccc21 712956 NNSISMTZEFLICQ-PGAZUGQPSA-N 409.485 4.656 0 40 HJAB biogenic COC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2ccccc2C)c1C 778373 IARUJZRHOBYHMN-UHFFFAOYSA-N 408.479 4.656 0 40 HJAB COc1ccc(Cl)cc1N(CC(=O)NC1CCCCC1)C(=O)c1ccc(C)s1 1342175 FYQPKGPBEKJHGO-UHFFFAOYSA-N 420.962 4.814 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(C(C)C)cc4)no3)C2)cc1 1360223 RUWOSXGHTLRCTN-FQEVSTJZSA-N 405.498 4.888 0 40 HJAB O=C(Nc1ccc(Cl)cc1)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 1391125 POZISWNWDDRQAV-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB COc1cccc(NC(=S)NCCc2c(C)[nH]c3ccc(Br)cc23)c1 1410396 DRRUKZXYOMXUTP-UHFFFAOYSA-N 418.360 4.777 0 40 HJAB COc1ccc(S(=O)(=O)N2c3ccc(Br)cc3C(C)=CC2(C)C)cc1 2260867 UNBZTUPCUJRCJO-UHFFFAOYSA-N 422.344 4.849 0 40 HJAB O=C1Sc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)c3cccc1c23 2503421 WAKIIHAZVVCGPA-UHFFFAOYSA-N 420.309 4.649 0 40 HJAB COc1ccc(-c2cc(C(=O)OCC(=O)NC3CCCCC3)c3ccccc3n2)cc1 2642342 DMWYACFAZPXTIT-UHFFFAOYSA-N 418.493 4.516 0 40 HJAB Fc1ccc(Br)cc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2ncnn21 2914758 PDPQORMSNISQHG-HZPDHXFCSA-N 407.674 4.979 0 40 HJAB CCCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 3457127 SPZJKAFPWXMQIO-UHFFFAOYSA-N 400.935 4.596 0 40 HJAB CCc1ccc(C(=O)N2CCC[C@@H]2c2nnc(SCc3ccccc3)n2C)cc1 5001633 XHZKDHOWYCRXOL-HXUWFJFHSA-N 406.555 4.647 0 40 HJAB COc1ccc(NC(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)cc1 5176034 HIWBGJJWAANWFY-UHFFFAOYSA-N 407.517 4.542 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2Cl)c1C 6214008 SYTWCSNNPZZDST-UHFFFAOYSA-N 420.962 4.820 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 6223681 FCYVVPJQBIKGHX-UHFFFAOYSA-N 403.554 4.793 0 40 HJAB Cc1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccc(Cl)c(Cl)c2)cc1C 6390891 PRWLDNFGEKGXKR-UHFFFAOYSA-N 407.326 4.784 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)NC3CCCCC3)n2-c2ccccc2)c1 6422333 WAFABCIZHJXBBJ-UHFFFAOYSA-N 406.555 4.784 0 40 HJAB CCOc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1ccccc1)=N2 6601923 SRQWYDADGPGHKQ-UHFFFAOYSA-N 401.466 4.536 0 40 HJAB COc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1 6973840 CYXNCVKYGXHBBU-UHFFFAOYSA-N 420.490 4.998 0 40 HJAB CCc1oc2ccccc2c1/C=C/C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 7117678 IYCWJOHCSGSCCG-CLVCIHKQSA-N 400.482 4.809 0 40 HJAB C[C@@H](NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21 7547034 RLYAQZROVKOBFV-DYESRHJHSA-N 415.562 4.929 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C)c1C 7644791 GGDJDNHBYKIOIR-CYBMUJFWSA-N 416.934 4.647 0 40 HJAB COc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c(OC)c1 8230315 QUFODHBMOGUYNX-UHFFFAOYSA-N 419.506 4.929 0 40 HJAB CCOC(=O)c1c(NC(=O)CN2CCC(C)CC2)sc(-c2ccccc2)c1C 8428665 YKQSXFIQAKGJNY-UHFFFAOYSA-N 400.544 4.571 0 40 HJAB O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C(=O)c1ccc(Br)cc1 8471178 WJKVLJDTXKIRGB-ZPVKFHTISA-N 406.279 4.898 0 40 HJAB Cc1ccc(C(=O)C[C@H](C(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 8475327 JLKNSOZBSADQDV-XMMPIXPASA-N 420.530 4.910 0 40 HJAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nc(-c3ccncc3)n[nH]2)c1 9335603 CXDXBANURKKYMQ-UHFFFAOYSA-N 415.522 4.501 0 40 HJAB O=C(CSc1nc2ccccc2o1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 9516775 KDUTXXGKDSGQGC-UHFFFAOYSA-N 421.453 4.950 0 40 HJAB CCc1ccc(C(=O)CSc2nc3sc(C)cc3c(=O)n2Cc2ccco2)cc1 10024401 VFBDNFLWQFDLNG-UHFFFAOYSA-N 424.547 4.945 0 40 HJAB Cc1nc2ccc(Cl)cc2cc1C(=O)O[C@@H](C)C(=O)Nc1cc(F)ccc1F 10468891 CPXXCZAFUGLIPH-NSHDSACASA-N 404.800 4.659 0 40 HJAB O=C(Cc1csc(SCC(=O)c2ccccc2)n1)Nc1ccc(Cl)cc1 12444150 YHMSWBNTYJUUAS-UHFFFAOYSA-N 402.928 4.953 0 40 HJAB C[C@H](SC1=Nc2ccccc2[C@@H]2CC=NN12)C(=O)Nc1ccc(F)c(F)c1F 12599043 ZLPVFGREDVACQK-BONVTDFDSA-N 404.417 4.598 0 40 HJAB O=C(CN1CCC(c2nc3cc(Cl)ccc3s2)CC1)NCc1ccc(F)cc1 12748377 LLQOCVUWBJFHMR-UHFFFAOYSA-N 417.937 4.585 0 40 HJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)c1 13631112 HKSKGENKICUSOO-LJQANCHMSA-N 402.494 4.972 0 40 HJAB Cc1nc(C(=O)N(CC(C)C)c2nc3ccccc3s2)nn1-c1ccc(F)cc1 14184520 BEJBQBDUAYYGHI-UHFFFAOYSA-N 409.490 4.627 0 40 HJAB CCc1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](/C=C/c1ccccc1)C3 14607798 DCVIJQSDFKTJSN-IJDCCNJMSA-N 412.468 4.951 0 40 HJAB COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc1OCC=C(C)C 14658163 WXYFFRZGPDZASV-QKFIJCJASA-N 424.493 4.844 0 40 HJAB biogenic,in-vitro Cc1ccc(NC(=O)c2cc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)no2)c(C)c1 19132623 ZMXBGZICAYPBOI-LJQANCHMSA-N 409.530 4.830 0 40 HJAB Cc1ncc(-c2ccncc2C)c([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 19239712 XUVKTEWCCSYGFI-JOCHJYFZSA-N 404.489 4.591 0 40 HJAB CCCc1ncc(-c2cc(C)no2)c([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 19525539 PMMHBPMVYHWBPU-HXUWFJFHSA-N 422.504 4.828 0 40 HJAB CCc1ccc(NC(=O)C[C@H]2C(=O)N(C3CCCCC3)c3nc4ccccc4n32)cc1 19817405 PSNBLJDFFRTLKJ-QFIPXVFZSA-N 416.525 4.848 0 40 HJAB COc1ccc(OC)c(NC(=O)CSCc2c(C)cc(C)c(C(C)=O)c2C)c1 24072048 NUCHDPVINJOUSW-UHFFFAOYSA-N 401.528 4.704 0 40 HJAB O=C(COc1ccccc1C(=O)Nc1cnc2ccccc2c1)Nc1ccccc1F 25156034 FQRQCCXTKBIONA-UHFFFAOYSA-N 415.424 4.644 0 40 HJAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)c1ccccc1F 28228906 HEQWTRMUOLLSCF-UHFFFAOYSA-N 402.267 4.702 0 40 HJAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1cccc(Br)c1 32090500 DUVZOSOKCMJMOQ-UHFFFAOYSA-N 410.227 4.610 0 40 HJAB C[C@@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)N1CCc2ccccc2C1 32868661 DWWHXUHKCLEEMX-MRXNPFEDSA-N 415.518 4.955 0 40 HJAB O=C(OCc1cc(Cl)c2c(c1)OCO2)c1cccnc1Nc1cccc(F)c1 51744244 XDZIHORQZIWZCA-UHFFFAOYSA-N 400.793 4.703 0 40 HJAB COc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OCN(Cc2ccncc2)C4)cc1 54313320 MIWSYGVWLQJVDZ-UHFFFAOYSA-N 414.461 4.524 0 40 HJAB biogenic COc1ccccc1-n1c(SCc2cc(F)ccc2F)nc2ccccc2c1=O 67259551 GDYLIFHEPZZOHD-UHFFFAOYSA-N 410.445 4.965 0 40 HJAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C1c2ccccc2Oc2ccccc21 70640051 VRZMTYQEHYKXOB-GOSISDBHSA-N 413.395 4.793 0 40 HJAB Cc1ccc(-c2csc3ncn(C[C@@H](O)c4c(F)cccc4F)c(=O)c23)cc1C 71949390 FGLAXLNOGDCOIO-GOSISDBHSA-N 412.461 4.754 0 40 HJAB O=C(Nc1cc(-c2nc3cc(Br)ccc3[nH]2)ccc1Cl)[C@H]1CCCO1 72313714 MOJTYGJFMYRRRS-MRXNPFEDSA-N 420.694 4.763 0 40 HJAB CCOc1ccc(Nc2nnc(-c3nc(-c4ccc(OC)cc4)oc3N)s2)cc1 96346180 MEAWAVJXIBFCGH-UHFFFAOYSA-N 409.471 4.593 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1O 106707981 AIOLLSYWEJSPKC-YVLHZVERSA-N 403.887 4.989 0 40 HJAB C[C@H]1CN(Cc2ccc3oc(-c4ccccc4Br)nc3c2)C[C@H](C)O1 216827694 YDVJMLRUIYNJNU-KBPBESRZSA-N 401.304 4.867 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 222662457 YCHQWYIRDMAILD-IBGZPJMESA-N 418.537 4.551 0 40 HJAB Cc1cccc(CN(C(=O)CCc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 222742342 PHFJUTNEDXYUNU-SFHVURJKSA-N 414.977 4.913 0 40 HJAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 223962358 USERKWVDGATFPG-VXKWHMMOSA-N 419.554 4.600 0 40 HJAB Cc1ccccc1CN(C(=O)CSc1ccccc1)[C@H](C)C(=O)NC1CCCCC1 224678277 KTJGHPNLBRDKSE-HXUWFJFHSA-N 424.610 4.953 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)cc1 225668862 GIBHVJFDVQIZAS-IBGZPJMESA-N 414.977 4.771 0 40 HJAB CCOc1ccc(C(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(C[C@H](O)CC)n1 257328718 XGVHHFGCMBUDPO-QGZVFWFLSA-N 414.889 4.738 0 40 HJAB Cc1ccc(NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1 408738801 VJQOYOKGVVGTNN-DEOSSOPVSA-N 400.522 4.906 0 40 HJAB Cc1ccc(C(F)(F)F)c2c1N(C(=O)[C@@H]1CC(=O)N(C)c3ccccc31)C[C@@H](C)C2 1623377735 CNEQDSJSYIBYJG-XJKSGUPXSA-N 416.443 4.689 0 40 HJAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1cccc(Cl)c1 860566 PFPSZGPAQFBVHZ-UHFFFAOYSA-N 421.913 4.714 0 40 HJAB Cc1ccc(Oc2coc3cc(OCC(=O)NC4CCCCC4)ccc3c2=O)cc1 956116 JVVVTLOLJDFHNN-UHFFFAOYSA-N 407.466 4.721 0 40 HJAB O=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CCN(c2ccccc2)CC1 1324319 YVTIKNGCQZQOLA-UHFFFAOYSA-N 419.525 4.853 0 40 HJAB CCc1ccccc1NC(=S)N1CCN(c2nc(-c3ccccc3)cs2)CC1 1349587 FLQIZJSBCVYCKL-UHFFFAOYSA-N 408.596 4.892 0 40 HJAB CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1 2384514 AWWLPTYBAKFJLK-UHFFFAOYSA-N 422.485 4.876 0 40 HJAB O=C(CSc1nccn1-c1ccc(F)cc1)Nc1ccc(Br)cc1 2468224 ZKBGMNWUWDTMDK-UHFFFAOYSA-N 406.280 4.505 0 40 HJAB O=C(O)[C@H]1c2ccc(Br)cc2CCN1c1ccc(Cl)cc1Cl 2527033 XIABTSHFZPCWHF-OAHLLOKOSA-N 401.087 4.944 0 40 HJAB COc1ccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(F)cc(F)c32)cc1 2687717 RJVYDUSQGQJIQC-UHFFFAOYSA-N 419.427 4.876 0 40 HJAB COc1ccc(C(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1OC 2972364 BPKNBIXGRPDSJV-UHFFFAOYSA-N 405.479 4.936 0 40 HJAB O=C(OCc1csc(-c2ccc(Cl)cc2)n1)c1ccc(N2CCCC2=O)cc1 3356817 DSPGQYHZANJXIQ-UHFFFAOYSA-N 412.898 4.947 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NC1CCCCCC1 3466012 QUMYCSWDEXOFGI-UHFFFAOYSA-N 410.543 4.518 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3ccccc23)c1 3549101 VAPGLMHLZPSXDZ-UHFFFAOYSA-N 416.930 4.776 0 40 HJAB COc1cc(OC)c(CNc2ccc(Br)cc2)cc1Br 4309393 VHGIUXQPUKNMAS-UHFFFAOYSA-N 401.098 4.841 0 40 HJAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 4614484 WCKFQTUDRVHYPL-HZPDHXFCSA-N 413.495 4.506 0 40 HJAB CCCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21 4725799 MOEAHTWABKCXKH-FXBPSFAMSA-N 407.473 4.683 0 40 HJAB C[C@@H](NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc(F)cc1 4871089 VOQSNSUTTQQIFN-OAHLLOKOSA-N 418.424 4.668 0 40 HJAB COc1ccc(C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c(OC)c1 5108268 IIOOUEMFOUJRDD-UHFFFAOYSA-N 416.930 4.762 0 40 HJAB COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3cccs3)nc12 5142408 OVQXQSDVZISOSS-UHFFFAOYSA-N 411.508 4.617 0 40 HJAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)c3cccnc3Cl)n2)cc1 6064351 ZNFWRFHSFMRZAT-LBPRGKRZSA-N 415.902 4.605 0 40 HJAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc3ccccc3c2)CC1 6202825 VBTBOOQGBBGDHB-UHFFFAOYSA-N 421.928 4.804 0 40 HJAB O=C1Nc2ccccc2[C@@]12Oc1ccc(Cl)cc1[C@H]1CC(c3ccccc3)=NN12 6222878 YMXKFGTUEGSIIW-NFBKMPQASA-N 401.853 4.689 0 40 HJAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc(OC(F)F)cc1 7141116 LAJSEVSTZCRLKQ-UHFFFAOYSA-N 400.352 4.920 0 40 HJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810656 NTBCBJSWCDYEJG-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB COc1ccc(CNC(=O)Cc2csc(SCc3cccc(Cl)c3)n2)cc1 8938250 SGYGXAUHXYVNGP-UHFFFAOYSA-N 418.971 4.956 0 40 HJAB Cc1ccccc1CN1CCC(C(=O)NCCSc2ccc(Cl)cc2)CC1 9062889 RTPYUJHZXGQNTJ-UHFFFAOYSA-N 402.991 4.769 0 40 HJAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 9417393 GUBPOGOCEVBFQC-SFHVURJKSA-N 424.551 4.517 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 9663823 GYIYEPNPYALTFS-UHFFFAOYSA-N 421.353 4.926 0 40 HJAB Clc1ccc(-c2nnc(CSc3ncnc4c3cnn4-c3ccccc3)o2)cc1 9963812 CUOCPYOYSJHFEE-UHFFFAOYSA-N 420.885 4.811 0 40 HJAB O=C(NCCSCc1ccccc1Cl)c1ccc(CN2CCCCC2)cc1 10333910 GTOBJJYPJBYTGV-UHFFFAOYSA-N 402.991 4.989 0 40 HJAB COc1cc(OC)cc([C@H]2CC(=O)c3c(C)cc4oc(=O)c5c(c4c3O2)CCCC5)c1 11866484 IDQSJGJUMMEPLE-HXUWFJFHSA-N 420.461 4.704 0 40 HJAB biogenic COc1cccc(-c2noc([C@@H]3CCCN(C(=O)C45CC6CC(CC(C6)C4)C5)C3)n2)c1 12144490 GZRJAZHQQCVTPK-JQZCCEMDSA-N 421.541 4.668 0 40 HJAB COc1ccc(CN(Cc2[nH]c3ccccc3c2C)C[C@@H]2CCCO2)c(OC)c1OC 12187003 SENUVFBVUYYHDB-IBGZPJMESA-N 424.541 4.683 0 40 HJAB CC(C)(C)C(=O)N[C@H](c1nccs1)C1CCN(Cc2ccc(F)c(F)c2)CC1 12365688 DLCHPURLMAZJDL-SFHVURJKSA-N 407.530 4.537 0 40 HJAB Cc1ccc([C@@H](NC(=O)NCc2ccccc2Cn2cccn2)c2cccs2)cc1 12971639 NUWSBYOPWIQNSE-HSZRJFAPSA-N 416.550 4.890 0 40 HJAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)/C=C/c1ccc(C(F)(F)F)cc1 14240714 APKNJZOCVAMCQX-SDNWHVSQSA-N 412.411 4.969 0 40 HJAB Cc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2cc3ccccc3o2)cc1 15018942 ZMAYDNGVCCHVON-UHFFFAOYSA-N 418.522 4.703 0 40 HJAB Cc1ccc(CNC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1 16841155 JBPRSEHJSKVHMU-UHFFFAOYSA-N 422.941 4.767 0 40 HJAB COC(=O)c1c(NC(=O)CCC(=O)O)sc(C)c1-c1ccc(Cl)cc1Cl 17090494 UCCXWAGMVCNNPW-UHFFFAOYSA-N 416.282 4.620 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4C)cc3O)oc2c1 17091078 LDVSTRCXOQDRJS-UHFFFAOYSA-N 417.490 4.944 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C3CCCCC3)CC1)N2 19084106 GYSFBFZTAWTFDQ-ZWKOTPCHSA-N 422.564 4.990 0 40 HJAB O=C(Cc1ccccc1)N[C@@H](c1ccccn1)C1CCN(Cc2cccc(F)c2)CC1 19370416 CCRMUKBLCNZFCN-AREMUKBSSA-N 417.528 4.533 0 40 HJAB O=c1[nH]c(CN[C@H](Cc2ccccc2)c2ccccc2)nc2sc3c(c12)CCC3 19538848 IIAQKXIJSRWLEH-LJQANCHMSA-N 401.535 4.547 0 40 HJAB CC(C)(CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(F)c1 19661380 GHXLJWXBKCRAFQ-UHFFFAOYSA-N 423.454 4.550 0 40 HJAB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2cccc(C)c2)n2c1nc1ccccc12 20675740 KJZKSIZZEXJDBK-VXKWHMMOSA-N 419.525 4.650 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c1 20766740 VVDSHZZEYNWNHG-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB O=S1(=O)N=C(SCc2cccc(F)c2)N(Cc2ccccc2)c2ccccc21 21117553 LIRTXTDXZBODLU-UHFFFAOYSA-N 412.511 4.824 0 40 HJAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 22253278 MWONKPZCBYPVLC-DOTOQJQBSA-N 409.555 4.676 0 40 HJAB Cc1c(C)n(C[C@H](O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccc(F)cc12 28297194 HJGCFBJJXXFZGE-HNNXBMFYSA-N 405.395 4.827 0 40 HJAB CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)[C@H]1CCc2ccccc21 29487969 BRTFDXWYCOLUQG-QHCPKHFHSA-N 417.484 4.636 0 40 HJAB Cc1nc(-c2cccc(NC(=O)c3ccc(CSc4ncn[nH]4)cc3)c2)cs1 32675936 UXHWBKLWKWLTAH-UHFFFAOYSA-N 407.524 4.781 0 40 HJAB CCc1cc(C(=O)Nc2cccc(OC)c2)c2c(C)nn(Cc3ccccc3)c2n1 36621714 KCKGTDHRWZOUTN-UHFFFAOYSA-N 400.482 4.611 0 40 HJAB COc1cc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c(OC)cc1Cl 39755362 LDGUZIMELVPNIS-UHFFFAOYSA-N 402.922 4.516 0 40 HJAB O=C(NN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1Cl 39975637 XRFCIZUUCGHNCU-UHFFFAOYSA-N 423.919 4.531 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc(Cl)s2)c(OC)c1 40009666 RBXGRSWRBIZEIQ-HNNXBMFYSA-N 407.919 4.745 0 40 HJAB Cc1nc(-c2ccc(CC(=O)Nc3cccc(NC(=O)NC4CC4)c3)cc2)cs1 40079923 XVMLGBOXXQZRBC-UHFFFAOYSA-N 406.511 4.584 0 40 HJAB Fc1ccc(CNCc2ccccc2CN2CCN(c3ccccc3)CC2)c(F)c1 40091416 YTUVIRFKFIBGGA-UHFFFAOYSA-N 407.508 4.577 0 40 HJAB C[C@@H]1C[C@@H](C)n2nccc2N1C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 40146278 CWQSBZRIVHMVKS-CHWSQXEVSA-N 420.460 4.954 0 40 HJAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)cc(OC)c1OC 40283163 XUCZJZMWMGACJW-ZDUSSCGKSA-N 413.861 4.675 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2)cc1NCC(=O)Nc1cc(C(C)(C)C)no1 55856362 QEQMSFGDAALICM-UHFFFAOYSA-N 406.486 4.583 0 40 HJAB CC(C)[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)no1 64372601 SKCPJMDYXXUNSH-SFHVURJKSA-N 420.296 4.936 0 40 HJAB Cc1ccc(-c2nnc(Cc3nc(-c4ccc(OCC(C)C)cc4)no3)o2)cc1F 65185533 JZWDTBKHYFXYDP-UHFFFAOYSA-N 408.433 4.860 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCN2C(=O)c2sc(C)nc2C)n1 72390633 NACYXGLIXKSNMJ-SFHVURJKSA-N 407.543 4.542 0 40 HJAB CC[C@H](NC(=O)c1cnc(-c2ccccc2)s1)[C@H](c1ccc(C)cc1)n1cncn1 89941944 WJKZLWVLLLYYAT-FPOVZHCZSA-N 417.538 4.508 0 40 HJAB CCc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 98072964 HKBFQRLOTOGJRE-UHFFFAOYSA-N 408.239 4.831 0 40 HJAB OC1=C2C(=Nc3nc(SCc4ccccc4)nn3[C@@H]2c2cccc(O)c2)CCC1 102673328 DMSYZEZKTUZZDW-HXUWFJFHSA-N 404.495 4.948 0 40 HJAB COc1ccc(N2C(=O)/C(=C/Nc3ccc(C)cc3)c3ccc(OC)cc3C2=O)cc1 103749121 FSLJOXHARKKSJC-HZHRSRAPSA-N 414.461 4.652 0 40 HJAB COc1cc2ccccc2cc1C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219396787 IMUUDYFNDBUWFD-UHFFFAOYSA-N 407.857 4.824 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCC1 223777426 LAQSRFRUAINUBE-GOSISDBHSA-N 412.961 4.667 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 223829519 WCJIOBGKAPRWFC-GOSISDBHSA-N 412.961 4.667 0 40 HJAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 223878301 POPMLEJYUYSWHW-XZOQPEGZSA-N 412.518 4.755 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCSC2CCCCC2)cc1 224738976 HGYYBTRMRBPTBA-PGMHBOJBSA-N 412.555 4.541 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 225155784 YOEDWIOBIRGMCT-XMMPIXPASA-N 424.585 4.831 0 40 HJAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(CC(=O)NC4CCOCC4)ccc3O2)cc1 257206079 BBSWUFAWKCDRFR-SANMLTNESA-N 407.554 4.584 0 40 HJAB CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccccc2C)CC1 257247285 IYHKGFSEGNOSTJ-UHFFFAOYSA-N 413.565 4.628 0 40 HJAB O=C(c1cc(-c2ccccc2)on1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390831657 TXMOFKIITHDSHI-UHFFFAOYSA-N 418.419 4.642 0 40 HJAB CCc1nc(S/C(=C\c2c(-c3ccccc3)[nH]c3ccc(OC)cc23)C(=O)O)n[nH]1 408633384 YBFCOBBXEBWYPH-PDGQHHTCSA-N 420.494 4.742 0 40 HJAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1C 408999787 SBSPVNZLCWULGP-APTRMMRNSA-N 406.570 4.654 0 40 HJAB COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc(C)cc4C)n3C)oc12 409350418 RNYAYOAAQHDRDX-UHFFFAOYSA-N 422.510 4.585 0 40 HJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1cc(Br)cs1 585147871 FCSGRQDNDAUMRT-SNVBAGLBSA-N 414.371 4.764 0 40 HJAB COc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=NN1S(=O)(=O)c1ccccc1 710114 UDFONKSIVYGTHL-QFIPXVFZSA-N 406.507 4.544 0 40 HJAB c1ccc(-c2nc3sc4c(NC[C@H]5CCCO5)ncnc4c3c3c2CCC3)cc1 1254677 UYORXEIQPIMRLW-OAHLLOKOSA-N 402.523 4.986 0 40 HJAB Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)c3ccc(C)s3)c3ccccc32)c1 1320436 IDTDUPFIHKXHIP-XMMPIXPASA-N 405.519 4.681 0 40 HJAB O=S(=O)(N[C@H](c1ccc(Cl)s1)C(Cl)(Cl)Cl)c1ccccc1 1446361 IEUQPFOBNHSSCV-LLVKDONJSA-N 405.155 4.791 0 40 HJAB COc1cc(OC)c([C@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)c(OC)c1 2146015 XMQWMTWBFQYAMD-JWQCQUIFSA-N 420.461 4.614 0 40 HJAB COc1ccc(-c2nc3ccccc3c(=O)n2-c2ccccc2Br)cc1 2264902 RLNACROKKMBZRF-UHFFFAOYSA-N 407.267 4.824 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c(C)n1C 2619289 XHOASAGUFCPIBG-UHFFFAOYSA-N 406.511 4.517 0 40 HJAB O=c1c2c(nc(SCc3ccccc3F)n1-c1ccc(Cl)cc1)CCS2 2720015 SFCLLXYGQYYANX-UHFFFAOYSA-N 404.919 4.966 0 40 HJAB Cc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccccc3Cl)n2)cc1C 3398959 JCJBCGATCGAPBX-UHFFFAOYSA-N 413.930 4.839 0 40 HJAB CC(C)c1ccc(OC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 3547656 IFPANQRCMJEXJS-UHFFFAOYSA-N 409.507 4.854 0 40 HJAB CCOc1ccc(C(=O)NC(=S)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1Cl 4657390 XMQRBYFRQOZYLS-ZHHULCEESA-N 421.006 4.948 0 40 HJAB COc1ccccc1[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccccc2)c2ncnn21 4816911 JOWJCHUXLVORPK-VXKWHMMOSA-N 410.477 4.668 0 40 HJAB Fc1cccc(-c2cc3nc(-c4ccccc4)cc(NCCCn4ccnc4)n3n2)c1 4902561 PBBJDQMSDSBOMS-UHFFFAOYSA-N 412.472 4.901 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NC2CCCCC2)c(C)c1 5017225 IXTQEXATBSMDTO-UHFFFAOYSA-N 410.543 4.792 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](Oc1ccc(-c2nnco2)cc1)c1ccccc1 5195593 CCAKXMOEAQDHGS-QFIPXVFZSA-N 415.449 4.812 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 5448501 HRUXRRJRNFESAG-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB Cc1cc(C)n(-c2nc(N3CCCC[C@@H]3C)c3c4c(sc3n2)COC(C)(C)C4)n1 5561055 MDCCYVBAHGPGEL-AWEZNQCLSA-N 411.575 4.724 0 40 HJAB CCOc1ccc2nc(SCC(=O)NC(c3ccccc3)c3ccccc3)[nH]c2c1 6000379 DUPDHGXLBLZTOL-UHFFFAOYSA-N 417.534 4.960 0 40 HJAB COc1ccc(C(C)=O)cc1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 6087557 JREBTMMQWVRWHQ-UHFFFAOYSA-N 408.454 4.524 0 40 HJAB CCOc1c(Br)cc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1OC 6302652 FXSUQPPBGGMDMV-UHFFFAOYSA-N 414.683 4.771 0 40 HJAB COc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Br)cc2)cc1 6320117 NYZMMLAQMULXAP-UHFFFAOYSA-N 400.272 4.933 0 40 HJAB O=C1c2ccccc2N[C@@H](c2cnn(Cc3ccccc3)c2)N1CCc1ccccc1 7113107 SCDKXPPQXLJQOQ-RUZDIDTESA-N 408.505 4.741 0 40 HJAB Cc1nnc2ccc(-c3ccc(NC(=O)Cc4ccc(-c5ccccc5)cc4)cc3)nn12 7510132 VQEAMEPGSYVSQQ-UHFFFAOYSA-N 419.488 4.948 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1[C@@H](C)Oc1ccccc1 8090192 USDLIVMDJCGBJK-QGZVFWFLSA-N 410.543 4.786 0 40 HJAB O=C(NCc1cccs1)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9071585 UEMPJXJGKMITMW-UHFFFAOYSA-N 403.507 4.502 0 40 HJAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(Br)cc3)ccc21 9137068 YSZKLXBETFYTEW-UHFFFAOYSA-N 401.304 4.781 0 40 HJAB Cc1cccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(F)c(F)c3)cs2)c1 9625565 AFUSJPRKSDXTST-UHFFFAOYSA-N 402.426 4.555 0 40 HJAB CN(C)C(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 9663828 AMHKGUDBAXQZMZ-UHFFFAOYSA-N 424.913 4.786 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2cccc(F)c2)nc2cc(Cl)ccc2c1=O 9987795 LNZDPKRBZCBHJO-UHFFFAOYSA-N 419.909 4.576 0 40 HJAB CCCOc1ccc(-c2nonc2NC(=O)c2ccc(Br)cc2)cc1 12111320 KXLOJTSWIWZPJR-UHFFFAOYSA-N 402.248 4.540 0 40 HJAB C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)[C@H](O)C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C 13432978 XFTFIFNAWKMLKL-BYJVVKNHSA-N 422.949 4.753 0 40 HJAB biogenic,in-vitro O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(Br)cc1 14232928 RRNSSMYGGUGCQL-UHFFFAOYSA-N 412.639 4.505 0 40 HJAB CCOC(=O)c1c(NC(=S)NC(=O)c2cc(C)cc(C)c2)sc2c1CCCC2 17090832 GEOGKHZZYZVXLT-UHFFFAOYSA-N 416.568 4.547 0 40 HJAB Clc1ccc(COc2ccc3ccccc3c2CNCCCN2CCOCC2)cc1 22074036 GKKSEFXPVCSXHD-UHFFFAOYSA-N 424.972 4.884 0 40 HJAB O=C(CSCc1ccc(F)cc1)Nc1ccccc1C(=O)NCCc1ccccc1 25987252 ALIFCSBEOSPZAX-UHFFFAOYSA-N 422.525 4.670 0 40 HJAB CC(C)c1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCOCC2)cc1 28290479 FUUQLVJXOIELHU-DEOSSOPVSA-N 408.586 4.911 0 40 HJAB CC(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCCCC2)cc1 28293003 HBTDQNZPLLBTCJ-QFIPXVFZSA-N 418.537 4.873 0 40 HJAB CCc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(OC)cc2)cc1 28527987 HVHMNVUELUFFRL-UHFFFAOYSA-N 419.529 4.814 0 40 HJAB COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccccc2C)c1 28527995 WIIPAPCDXLBRSL-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H](C)c3ccco3)c2)c1 32744799 PESNURQJGIKMNB-CQSZACIVSA-N 418.902 4.533 0 40 HJAB CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)c1ccccc1C 32831032 ADGQFIRIKPPYMW-QGZVFWFLSA-N 416.468 4.502 0 40 HJAB O=C(COc1ccccc1-c1noc(-c2cccc(Cl)c2)n1)NCc1ccccc1 33325142 MQKHMMIBYJRZEE-UHFFFAOYSA-N 419.868 4.752 0 40 HJAB COc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccc(C)cc4)n3)c2)cc1 33327251 SJJOENMESPYKOG-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)c(OC)c1OC 36357766 UUKFSZNSZANYCU-HNNXBMFYSA-N 413.861 4.675 0 40 HJAB C[C@H]1c2ccsc2CCN1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 37200221 XEFQOYXVOCEESW-HOTGVXAUSA-N 411.596 4.683 0 40 HJAB O=C(Nc1ccc(SC2CCCC2)cc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 40133202 VARKGLLYELYFLW-QGZVFWFLSA-N 401.576 4.588 0 40 HJAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)/C=C/c1ccc(Br)s1 46683410 JOWUTPULPVTAAI-VQHVLOKHSA-N 405.317 4.819 0 40 HJAB Cc1ccc(-c2csc3ncnc(N(C)Cc4nnc5n4CCCCC5)c23)cc1C 48333491 GORLNKHWQKIXJS-UHFFFAOYSA-N 418.570 4.929 0 40 HJAB O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1CNc1ccc(F)cc1 59418997 LAMGVFIYPQRTMZ-OQLLNIDSSA-N 407.264 4.694 0 40 HJAB Cc1cccc(-n2c(=O)c3sccc3n(Cc3ccc(C(C)(C)C)cc3)c2=O)c1 67258117 KPWYAHPDJVIIDC-UHFFFAOYSA-N 404.535 4.868 0 40 HJAB O=C(c1cc[nH]n1)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349792 LKOTWNAMCFETHY-HNNXBMFYSA-N 400.404 4.510 0 40 HJAB Cc1cc(CSc2ccccc2C(=O)OCc2csc(N(C)C3CC3)n2)on1 84124444 XEVDMIYGITYZSX-UHFFFAOYSA-N 415.540 4.687 0 40 HJAB O=S1(=O)c2ccccc2C(c2ccccc2)=NN1Cc1cccc(C(F)(F)F)c1 90610252 SOHJVYJIHFCDGB-UHFFFAOYSA-N 416.424 4.662 0 40 HJAB CC(C)c1ccccc1O[C@H](C)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 95482331 VFBMSFVXGCQXHR-OAHLLOKOSA-N 413.905 4.939 0 40 HJAB COc1cccc(-c2ccc3ccc(-n4nccc4C(=O)Nc4cccc(O)c4)n3c2)c1 96155291 ZJDXHXCXZWHFKX-UHFFFAOYSA-N 424.460 4.759 0 40 HJAB C1=C(c2ccccc2)Nc2nnnn2[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 102230601 KUABBLHKFQCNQO-HXUWFJFHSA-N 423.505 4.643 0 40 HJAB COc1ccc([C@H]2CC3=Nc4nonc4N[C@H](c4ccc(F)cc4)C3=C(O)C2)cc1 102739427 KPKJPAXKIZJFDQ-VBKZILBWSA-N 406.417 4.846 0 40 HJAB COc1ccc(-c2nc(CNC(=O)c3ncc(-c4ccc(F)cc4)o3)cs2)cc1 206587750 RCEZYSLBYFPUMD-UHFFFAOYSA-N 409.442 4.543 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 223035128 PZTDBBJBLKSHQY-IBGZPJMESA-N 413.905 4.823 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223649122 ZSDGFUVHESESLW-DYESRHJHSA-N 400.950 4.605 0 40 HJAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 223891564 GSSCKOMFJJPMIF-FGZHOGPDSA-N 419.598 4.881 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 224240985 IOUMBAWMQINOLS-DEOSSOPVSA-N 406.570 4.712 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224961026 BSNPCXRFGZELOG-JOCHJYFZSA-N 414.977 4.505 0 40 HJAB CC[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 225338021 IGLOBMNCVABMDI-GOSISDBHSA-N 414.354 4.597 0 40 HJAB COc1cccc(-c2nnsc2C(=O)NC(c2ccccc2)c2ccccc2)c1 225768199 XZYHRXWEUXFVFK-UHFFFAOYSA-N 401.491 4.733 0 40 HJAB Cc1nc(-c2cccc(NC(=O)c3cn4c5c(cccc5c3=O)C[C@H]4C)c2)cs1 226094020 NIGZSRVMTIWSIB-CYBMUJFWSA-N 401.491 4.803 0 40 HJAB O=C(COc1ccccc1F)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257302095 SBMWSIHDBGXVAF-LJQANCHMSA-N 414.864 4.800 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)Cn3nc(C)c(C)c3C)C2)n1 257306193 STGHMVMVZFAPTD-NRFANRHFSA-N 420.532 4.724 0 40 HJAB CCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 408546923 WYRJCCYOOHIWDY-HNNXBMFYSA-N 408.951 4.676 0 40 HJAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)c(Cl)c2)C1=O 409013397 NFKJCQUMEWDVGA-DYBVGFEPSA-N 411.907 4.505 0 40 HJAB O=C1N/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N1Cc1ccccc1 409221128 LGELJKVXWIMNGK-LDADJPATSA-N 423.266 4.802 0 40 HJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(I)c[nH]1 524526341 ATZHWEJZERUXGT-MRVPVSSYSA-N 423.081 4.759 0 40 HJAB CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccc(OCC)cc3)c(C)oc2c1 627447 UKOVNKBCYCIFRJ-OAHLLOKOSA-N 412.438 4.623 0 40 HJAB Cc1ccccc1N(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCCC1)c1ccco1 800088 YZTBHHLJVONUMC-SFHVURJKSA-N 408.420 4.674 0 40 HJAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc(F)cc1F 901829 OGGQRDSECWFINN-UHFFFAOYSA-N 415.343 4.764 0 40 HJAB COc1ccc(Br)c2c1-c1nc(NC(=O)c3ccccc3)sc1C2 981612 YAWLYHBWXOVBGG-UHFFFAOYSA-N 401.285 4.738 0 40 HJAB Cc1c(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc2c(-c3ccccc3)cc(=O)oc12 2095866 GSDIFODGDYQNDM-HNNXBMFYSA-N 423.465 4.587 0 40 HJAB biogenic O=S(=O)(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1ccc(Cl)s1 2577819 HNJSGLSFOXAJCS-UHFFFAOYSA-N 408.719 4.695 0 40 HJAB Cc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(C)cc23)cc1 2693524 JLXCJWDAZPDPHA-UHFFFAOYSA-N 401.487 4.915 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(O)c2)N1Cc1ccccc1 2704281 FWMLPYMRYUHDOL-NRFANRHFSA-N 417.848 4.897 0 40 HJAB O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)NCc1ccccc1Cl 2970330 DBXSLBYFVWCOHM-UHFFFAOYSA-N 415.946 4.589 0 40 HJAB Brc1cccc(OCc2nc3c4c5c(sc4ncn3n2)CCCC5)c1 3176379 ZCFROMMMRSINHP-UHFFFAOYSA-N 415.316 4.559 0 40 HJAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1 3259287 KYGUFQULKGFACS-INIZCTEOSA-N 408.885 4.676 0 40 HJAB CC(=O)c1ccc(O)c(CSc2nnc(-c3ccc(Br)cc3)o2)c1 3269871 FDAJKZQUAYXUMO-UHFFFAOYSA-N 405.273 4.700 0 40 HJAB FC(F)Sc1ccc(NC(=S)NNC(=S)Nc2ccccc2Cl)cc1 3277035 YGOVZOHRHGTYEU-UHFFFAOYSA-N 418.947 4.843 0 40 HJAB O=c1c2c(n3c(S)nnc3n1-c1ccccc1)-c1ccccc1CC21CCCCC1 4823004 DSFHAXWLPIBNOF-UHFFFAOYSA-N 414.534 4.594 0 40 HJAB COc1ccc(-c2cn3c(C)c(C(=O)N4c5ccccc5C[C@@H]4C)sc3n2)cc1 4930962 PUACFSKIXNMSHT-AWEZNQCLSA-N 403.507 4.971 0 40 HJAB CC[C@H](Sc1nc(C)c(Cc2ccc(O)cc2)[nH]1)C(=O)Nc1ccc(C(C)=O)cc1 4945539 NVIPXBLBOLZZOU-NRFANRHFSA-N 423.538 4.727 0 40 HJAB Cc1cc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2n1 5357218 IYKSDQLJBLSMNI-UHFFFAOYSA-N 410.473 4.606 0 40 HJAB Cc1cccc(C)c1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21 7616056 XSONRAGSLQMBID-UHFFFAOYSA-N 417.896 4.972 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 8118063 HZZZUOOPVXPHKS-SFHVURJKSA-N 408.716 4.829 0 40 HJAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)cc1Cl 8310366 UGPGYMCPULLOHG-SFHVURJKSA-N 421.324 4.930 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 9545626 NRCKJRWHXSKJPC-UHFFFAOYSA-N 414.840 4.695 0 40 HJAB CCOc1ccc2nc(NC(=O)c3ccc(I)cc3)sc2c1 9553593 BJHVVHNYQNDBOW-UHFFFAOYSA-N 424.263 4.552 0 40 HJAB Cc1ccc(C)c(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1 11667123 DTRWPLXTMMNECJ-UHFFFAOYSA-N 403.482 4.597 0 40 HJAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc21 12180402 ALLNJADQNFNQOJ-UHFFFAOYSA-N 420.534 4.844 0 40 HJAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)[C@@H]3CC=CCC3)cc2n1 12230142 HTAFZCVTEOOLPE-PBHICJAKSA-N 406.452 4.720 0 40 HJAB COc1ccc(C(=O)CSc2nc3ccccc3nc2C)cc1Br 12249748 XLZBAQAUMNBOKL-UHFFFAOYSA-N 403.301 4.684 0 40 HJAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccccc2Cl)cs1)c1cccs1 12253589 HIDJVXPVAJLFQX-AWEZNQCLSA-N 405.932 4.731 0 40 HJAB COCCCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(Cl)cc1 12419175 YYQFSHKHZAXENN-UHFFFAOYSA-N 420.918 4.585 0 40 HJAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2cnc3c(cnn3C(C)C)c2)cc1 12549429 HRUCJLHNQPPJRA-UHFFFAOYSA-N 413.525 4.812 0 40 HJAB COc1ccc(C)cc1-n1nnnc1S[C@H](C)c1nc2ccccc2n1C(F)F 12884211 XMOVTJAPWBOWSJ-GFCCVEGCSA-N 416.457 4.577 0 40 HJAB Nc1ccccc1CNC(=O)/C(=C/c1cccc2ccccc12)NC(=O)c1ccccc1 13576607 PIQUYCNQAPYLMM-UQQQWYQISA-N 421.500 4.509 0 40 HJAB O=C(/C=C/c1ccccc1Cl)Nc1nnc(-c2ccc(Br)s2)o1 13667204 VADRKVXBURIOBY-VMPITWQZSA-N 410.680 4.866 0 40 HJAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C2CCCCC2)C1 19591398 SWQWAUOXHROACM-AREMUKBSSA-N 422.544 4.580 0 40 HJAB CC(C)c1ccc([C@H](C)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 23057339 TUKJYGWWSLYWSB-FDDCHVKYSA-N 416.521 4.848 0 40 HJAB CCc1nc2ccccc2n1CC(=O)Nc1cccc(NC(=O)c2cccs2)c1 24028942 FTIGHUMQTBLOEU-UHFFFAOYSA-N 404.495 4.551 0 40 HJAB Cc1ccc(-n2c(S[C@H](C)c3nc(C(C)(C)C)no3)nnc2N2CCCC2)cc1 24047908 SPKRARVFIJYPGE-OAHLLOKOSA-N 412.563 4.710 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 24393088 RCKDIQAPYZWDSU-OAQYLSRUSA-N 416.562 4.786 0 40 HJAB C[C@@H](Nc1cccc(N2CCCC2=O)c1)C(=O)NC(c1ccccc1)c1ccccc1 32810913 IRANENJVFXUZIY-LJQANCHMSA-N 413.521 4.520 0 40 HJAB O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 35684682 UEDJAUABRILFDO-INIZCTEOSA-N 416.359 4.620 0 40 HJAB CCN(CC)CCOc1ccccc1NC(=O)CCCc1nc2ccccc2s1 36397938 ZJSCANFLNJZCLK-UHFFFAOYSA-N 411.571 4.978 0 40 HJAB CCN(Cc1cccc(NC(=O)Cc2c(F)cccc2Cl)c1)C(=O)C(F)(F)F 40088012 MIGBCELWAIVAOR-UHFFFAOYSA-N 416.802 4.571 0 40 HJAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 40140800 XQGKFBNCMORABU-VXGBXAGGSA-N 424.385 4.650 0 40 HJAB COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C)c(OC)c1OC 41107854 HGXCCRIAAIVVFD-UHFFFAOYSA-N 420.465 4.525 0 40 HJAB CN(Cc1ccc(Br)o1)C(=O)c1cc2ccc(Br)cc2[nH]1 41382051 WAJJTFUCXUCOTD-UHFFFAOYSA-N 412.081 4.558 0 40 HJAB CC(C)N(C)Cc1ccccc1CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2 58820479 IKVFKZJDZGSVSH-UHFFFAOYSA-N 406.570 4.685 0 40 HJAB Cc1ccc(-c2cc3c4nnc(SCc5c(C)noc5C)n4ccn3n2)cc1C 67260645 LRDQIYNACCUQRL-UHFFFAOYSA-N 404.499 4.558 0 40 HJAB O=C(c1ccc(NCc2cc3ccccc3nc2Cl)cc1Cl)N1CCOCC1 71986757 IEFXOQXRNJBUTL-UHFFFAOYSA-N 416.308 4.626 0 40 HJAB Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)c2ccccc2n1 89582922 HVSBGHYXKKBDPO-UZLBHIALSA-N 400.400 4.510 0 40 HJAB O=C(N[C@@H](CCc1cccc(F)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21 95749086 USLBDGLIEZPUPZ-QHCPKHFHSA-N 419.452 4.750 0 40 HJAB O=C(NCCn1nc(C2CC2)cc1C1CC1)NC(c1ccccc1)c1ccccc1 96121786 UXZVYPGKDRNSBV-UHFFFAOYSA-N 400.526 4.727 0 40 HJAB CC(=O)N(c1ccccc1)c1nc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cs1 96634990 UPBRDVLQPZLZLA-WOJGMQOQSA-N 423.881 4.826 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2ccc(C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc2)cc1 100845986 GNQAYFUYCIMBJL-QVZAJUJQSA-N 403.522 4.930 0 40 HJAB Clc1ccc([C@@H]2C=C(c3ccc(Br)cc3)Nc3nnnn32)c(Cl)c1 100994697 ZFRXWBAVTKMDCD-HNNXBMFYSA-N 423.101 4.798 0 40 HJAB CCCCOc1ccc(NC(=O)NCc2ccc([C@@H](O)c3ccco3)s2)cc1 206689109 DJGIMNYYWBSAKE-FQEVSTJZSA-N 400.500 4.923 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 223171039 MOULXZNMVXFHNO-QHCPKHFHSA-N 408.586 4.904 0 40 HJAB COc1ccc2cc(S(=O)(=O)N[C@@H]3CC(C)(C)Oc4cc(C)ccc43)ccc2c1 223708853 RKYNWYWNMRXCQE-OAQYLSRUSA-N 411.523 4.738 0 40 HJAB CCN(c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1)S(=O)(=O)c1ccccc1 224354108 LSEOOKSVARUFPR-UHFFFAOYSA-N 408.523 4.771 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 225131407 CZJWLDLZQVIYSY-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)cc1)c1ccc(C)cc1 225156890 NLKMVMXMAPKXAH-LEYFIJQKSA-N 418.493 4.635 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 225586875 ROUKFTCIVAPMNV-UTKZUKDTSA-N 400.950 4.605 0 40 HJAB COC(=O)c1cc(Br)ccc1OCc1ccc(Br)cc1 226329383 JOGIUOBDTBSWSJ-UHFFFAOYSA-N 400.066 4.577 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)[nH]n1 257272565 NCWUMSKOUZUPGZ-INIZCTEOSA-N 412.921 4.785 0 40 HJAB Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)c1 408595491 JHBNSDLYZHEYKC-UHFFFAOYSA-N 424.570 4.865 0 40 HJAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C)c(Cl)c3)C(=O)[C@H]2C1 408687688 VGQDXOCMRYJHIH-WMZOPIPTSA-N 408.885 4.746 0 40 HJAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 409031443 ARDCIJUCQPEEPP-JWGURIENSA-N 400.503 4.870 0 40 HJAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccccc4F)cc3)C2=O)c1 409232599 RPSDPUODDZQZCJ-OEAKJJBVSA-N 416.452 4.806 0 40 HJAB O=C(CC[C@H]1C(=O)N(c2ccc(F)cc2)C1=C1C=C[C](O)C=C1)c1ccc(F)cc1 1560410010 JGYZQMHALYYGKU-OAQYLSRUSA-N 406.408 4.875 0 40 HJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1cc(Br)cs1 1775966629 QCUADJTWBHJGDM-OAHLLOKOSA-N 408.342 4.703 0 40 HJAB COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@@H](C(=O)OC)[C@H]1c1ccc(C)cc1 626802 UHKVQSSIPLSBFK-FGZHOGPDSA-N 405.494 4.675 0 40 HJAB Cc1ccccc1Nc1nc(Nc2ccccc2C)nc(Sc2nccn2C)n1 1024909 BUGZVPJLYOOPKQ-UHFFFAOYSA-N 403.515 4.860 0 40 HJAB CCOc1ccc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccc(C)cc2)cc1 2705599 WSMLOYDNSXMUKL-UHFFFAOYSA-N 423.538 4.606 0 40 HJAB COC(=O)NC(=S)Nc1ccc(Oc2ccc(Br)cc2)c(Cl)c1 3149679 AUYAEUKZNWSVQX-UHFFFAOYSA-N 415.696 4.948 0 40 HJAB CC(C)(C)N[C@@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 3195642 FSOPIZNZNBUECL-NHCUHLMSSA-N 414.958 4.956 0 40 HJAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 3334289 FBMFJKUEJYOXBA-GOSISDBHSA-N 402.494 4.758 0 40 HJAB C[C@H](c1nnc(SCC(=O)c2ccc(F)cc2)n1-c1ccc(Cl)cc1)N(C)C 3376564 KDVJWHSZIAAVNW-CYBMUJFWSA-N 418.925 4.657 0 40 HJAB O=C(c1ccc(F)cc1)N1CCCC[C@@H](Sc2nc3ccccc3s2)C1=O 3415981 ANAIHIOVNGBOIV-QGZVFWFLSA-N 400.500 4.749 0 40 HJAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@@H]1c1ccc(C)cc1 4816766 ISPUYZJONSSFCV-FGZHOGPDSA-N 404.514 4.853 0 40 HJAB COc1ccc(C)cc1NC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 4965499 DNGOHVLSFWUHGO-UHFFFAOYSA-N 401.894 4.540 0 40 HJAB CCc1ccc(N2C(=O)N(Cc3ccc(C)cc3)c3ccccc3S2(=O)=O)cc1 5043432 BFYRECDLVJJBRC-UHFFFAOYSA-N 406.507 4.893 0 40 HJAB CC(=O)Nc1nc(C)cc(-n2nc(-c3cccc4ccccc34)cc2C(F)(F)F)n1 5243123 NDFGUNJWUIZCAB-UHFFFAOYSA-N 411.387 4.768 0 40 HJAB Cc1oc2cc(OCC(=O)N3CCc4ccccc43)ccc2c(=O)c1-c1ccccc1 5497845 OWGXCVUJSYECFP-UHFFFAOYSA-N 411.457 4.737 0 40 HJAB Cc1ccccc1-n1c(C)nnc1SCC(=O)c1ccc(Br)s1 5619831 MXDXDJMGBZKHOT-UHFFFAOYSA-N 408.346 4.683 0 40 HJAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc2nc(S[C@H]3C=CCCC3)sc2c1 5664240 LEFZOUDMQFBAFK-SSTWWWIQSA-N 408.548 4.809 0 40 HJAB Cc1ccc([C@H](C)NC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1C 5890329 SHKASHORCVLQEW-HNNXBMFYSA-N 400.935 4.507 0 40 HJAB O=C(COc1ccccn1)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 6346497 WKOABPWXFMDLAK-XMMPIXPASA-N 407.473 4.992 0 40 HJAB C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 6509833 DGKIROTWNRGCDM-LLVKDONJSA-N 402.210 4.724 0 40 HJAB Cc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1 6614641 VORMDQPSEJNTRX-UHFFFAOYSA-N 413.521 4.518 0 40 HJAB Cc1ccccc1OCC(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 6669922 BIKUKGYENGWDRY-UHFFFAOYSA-N 405.498 4.785 0 40 HJAB Cc1ccc2c(CC(=O)Nc3nc(C)c(C(=O)OCC(C)C)s3)coc2c1C 6809918 LTPKVQQAMHAWOY-UHFFFAOYSA-N 400.500 4.809 0 40 HJAB C[C@H](C(=O)Nc1cccc(Cl)c1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 6881930 OOVDUAQJXORCHU-LLVKDONJSA-N 414.720 4.544 0 40 HJAB Cc1cc(Cl)cc(C)c1OCC(=O)NCc1c(C)nn(Cc2ccccc2)c1C 7824168 IHQXUIYUOVZHRJ-UHFFFAOYSA-N 411.933 4.514 0 40 HJAB O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1C(=O)c1ccc(Br)cc1 8471185 WJKVLJDTXKIRGB-ZRENRBBTSA-N 406.279 4.898 0 40 HJAB CCn1ncc(-c2csc(NC(=O)c3cc(C)nc4c3c(C)nn4C(C)C)n2)c1C 8782524 YRAFLMPXOQUEHO-UHFFFAOYSA-N 423.546 4.530 0 40 HJAB COc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2=O)cc1 8816097 CCXNJEPBQAOKQV-JTQLQIEISA-N 413.688 4.647 0 40 HJAB Cc1ccc2nc(CSc3nnc(N4CCCC4)n3-c3ccccc3Cl)cn2c1 9516770 RPCQHHFOMZULRV-UHFFFAOYSA-N 424.961 4.769 0 40 HJAB c1ccc(-n2c(CN3CCCC3)nnc2SCc2nc3ccccc3s2)cc1 9871925 VKBFCDOYZMSQPB-UHFFFAOYSA-N 407.568 4.765 0 40 HJAB Cc1c(NC(=O)CSCc2cccc3ccccc23)c(=O)n(-c2ccccc2)n1C 9883393 UYRPSWPCIWWLRT-UHFFFAOYSA-N 417.534 4.510 0 40 HJAB Cc1c(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)[nH]c2c1C(=O)CC(C)(C)C2 9912106 LXTOGDMHYJYNAU-SFHVURJKSA-N 422.525 4.617 0 40 HJAB COc1cc(OC)cc([C@@H]2CC(=O)c3c(C)cc4oc(=O)c5c(c4c3O2)CCCC5)c1 11866483 IDQSJGJUMMEPLE-FQEVSTJZSA-N 420.461 4.704 0 40 HJAB biogenic O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1n[nH]c2ccccc12 12530994 YMCUQNAKJMWLNI-UHFFFAOYSA-N 401.447 4.549 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@H](C(=O)N(C)C)c3ccccc3)o2)cc1 12552068 HTPORIICLUICBV-IBGZPJMESA-N 410.543 4.504 0 40 HJAB Cc1ccc(Nc2ccccc2C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 12608859 IBGDRBHDBLURES-UHFFFAOYSA-N 413.399 4.524 0 40 HJAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(Br)cc3F)c12 12766326 LTRHOLXJBUXNLW-UHFFFAOYSA-N 416.206 4.945 0 40 HJAB CC[C@H](NC(=O)CCn1c(-c2ccc(OC)cc2)n[nH]c1=S)c1ccc(C)cc1 12794165 XODORIGNLLAYAB-IBGZPJMESA-N 410.543 4.582 0 40 HJAB CCOC(=O)c1oc2ccccc2c1COC(=O)CCc1nc2ccccc2s1 13008427 HTVORDHTIMXQCI-UHFFFAOYSA-N 409.463 4.895 0 40 HJAB CC[C@@H](c1ccccc1)c1nn2c(-c3cncc(Br)c3)nnc2s1 13688724 WTYQWHCWENSBPB-AWEZNQCLSA-N 400.305 4.552 0 40 HJAB COc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 14398470 RRYOTBYQHHIKAK-UHFFFAOYSA-N 410.514 4.555 0 40 HJAB Cc1ccc(C)c(-c2csc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)n2)c1 14698117 UDCHXARWWHACPW-UHFFFAOYSA-N 420.943 4.736 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 15438761 WMXUGTVVGYZARL-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(Cn3nnc4ccccc43)cc2)c1 17361136 PUZHGXGSZLDYCO-UHFFFAOYSA-N 400.482 4.735 0 40 HJAB COc1ccc([C@@H](CNC(=O)CCCc2nc3ccccc3s2)N2CCCC2)cc1 17911618 ASSNLEXNZSIDST-OAQYLSRUSA-N 423.582 4.581 0 40 HJAB COc1cccc(NCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)c1 19083561 SXWMIGLTDPJSFQ-UHFFFAOYSA-N 402.498 4.632 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c(C)c1 20046971 DKXOEDJMLOSVKG-UHFFFAOYSA-N 414.505 4.987 0 40 HJAB Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)nn12 20609755 WBXVKOIJAUQFET-UHFFFAOYSA-N 404.282 4.720 0 40 HJAB Cc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 22274125 LFKDFWNKLJGOEG-UHFFFAOYSA-N 422.550 4.952 0 40 HJAB C[C@@H](OCCCNC(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1)c1ccccc1 25672882 JIAHYIBDBXKUPJ-GCJKJVERSA-N 422.550 4.503 0 40 HJAB COc1ccc2c(-c3cc4cc(Br)ccc4oc3=O)cc(=O)oc2c1C 30819587 ZSKSCEUSFLIMQL-UHFFFAOYSA-N 413.223 4.646 0 40 HJAB CSc1ccc(C(=O)CCC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 32850891 WTVFIYJKIAQXLO-UHFFFAOYSA-N 405.903 4.825 0 40 HJAB Cc1c(Nc2ccc(/C=C3/C(=O)Nc4ccccc43)cc2)c(=O)n(-c2ccccc2)n1C 33470955 VHSLPOMNFPIJKO-CJLVFECKSA-N 422.488 4.721 0 40 HJAB C[C@@H](SC(F)(F)F)C(=O)Nc1ccc(Br)cc1Br 36392299 FZHJFAVGZOLRTF-RXMQYKEDSA-N 407.049 4.792 0 40 HJAB CSc1nccn1-c1cccc(C(=O)Nc2nc(C)c(-c3ccccn3)s2)c1 42767633 TYSZKGNZHCQYCD-UHFFFAOYSA-N 407.524 4.673 0 40 HJAB O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 44774339 HNABUJFAICMZBN-VQTJNVASSA-N 403.551 4.695 0 40 HJAB CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2ccc3cc[nH]c3c2)s1 44921949 AOZMFHJRRPUXMM-UHFFFAOYSA-N 404.495 4.738 0 40 HJAB Cc1ccc2c(Nc3ccc(C(C)C)cc3)c(C(=O)N3CCSCC3)cnc2n1 49004941 IWWZOAJHNUMIIB-UHFFFAOYSA-N 406.555 4.994 0 40 HJAB O=C(OCc1sc2ccccc2c1Cl)[C@@H]1CCCN1C(=O)c1ccccc1O 58721711 SNFDTIILNIEUFJ-HNNXBMFYSA-N 415.898 4.608 0 40 HJAB COc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(C(=O)O)cc1 59409156 ARMCNAWSVCFSQA-JOCHJYFZSA-N 420.490 4.669 0 40 HJAB O=C(COc1ccccc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 72349067 HZQPWWSXXKETLV-FQEVSTJZSA-N 404.485 4.597 0 40 HJAB Cc1nc2cc(NC(=O)[C@@H]3CCC[C@H]3C(=O)Nc3ccc4oc(C)nc4c3)ccc2o1 95441920 OUYUEEKXSORJAM-IAGOWNOFSA-N 418.453 4.579 0 40 HJAB c1ccc(COCCN(CCOCc2ccccc2)CCOCc2ccccc2)cc1 96191809 KLAPZKORLBQCON-UHFFFAOYSA-N 419.565 4.939 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 223975997 UYLKIZNKWWQXOX-XMMPIXPASA-N 424.585 4.578 0 40 HJAB Cc1ccc(CN(C(=O)COc2ccccc2C(C)C)[C@H](C)C(=O)NCC(C)C)cc1 224205531 QKQLZQNOUBKXRR-OAQYLSRUSA-N 424.585 4.687 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3CCCCC3)c(Cl)c2)cc1 224405622 FKHHFNKRFLZTPG-UHFFFAOYSA-N 420.962 4.759 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 224632785 QEEOQZFZIXXEHX-QGZVFWFLSA-N 418.990 4.517 0 40 HJAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NCc2ccc(Cl)cc2)n1 225203895 DMBGOEYFAMNQPL-UHFFFAOYSA-N 401.898 4.808 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 225714131 VNCPEQOCJKKRQR-QHCPKHFHSA-N 418.537 4.551 0 40 HJAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C(=O)OC 225753352 MNARDNCKHAJMIN-UHFFFAOYSA-N 411.498 4.721 0 40 HJAB Cc1cc(Br)cc(C)c1NC(=O)c1cn2c3c(cccc3c1=O)CCC2 226093528 PGXVAWCWJZSSAO-UHFFFAOYSA-N 411.299 4.579 0 40 HJAB Cc1cc(NC(=S)NC(=O)c2cccc3ccccc23)cc(Br)c1O 226243632 NZJYKCDXCMFRPS-UHFFFAOYSA-N 415.312 4.743 0 40 HJAB Cc1ccc(S(=O)(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@@H]2c2ccccc2)cc1 239415256 UBOPKOJZKXANGC-FDFHNCONSA-N 403.975 5.299 0 40 HJAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C(C)C)CC1 257315906 VDFHWRUYUGICJU-UHFFFAOYSA-N 424.560 4.825 0 40 HJAB O=C(Nc1ccccc1)c1nc(-c2ccccc2)n(-c2ccc(Br)cc2)n1 408700092 YTEIPUBPNMTMFK-UHFFFAOYSA-N 419.282 4.949 0 40 HJAB O=C1N/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccc(F)cc1 409020234 MXSYTQQCJBJOHM-FYJGNVAPSA-N 420.415 4.637 0 40 HJAB COc1cccc2c1[C@H](c1nc(Cc3ccc(OCc4ccncc4)cc3)no1)CC2 550964013 YPSILZXIPWEBNX-OAQYLSRUSA-N 413.477 4.721 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(Cc1cccs1)C(=O)C(F)(F)F 800233 SDPFWEICGHLAHR-OAHLLOKOSA-N 416.490 4.501 0 40 HJAB CSc1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1 1349662 KDNOZGAEQWBGLW-UHFFFAOYSA-N 410.568 4.886 0 40 HJAB O=C1CS[C@@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N1c1ccccc1 1387940 XUWASTKRBJMTGT-QHCPKHFHSA-N 420.921 4.820 0 40 HJAB COc1ccc(N2C(=O)c3cc(C)nc(SCc4ccccc4F)c3C2=O)cc1 1405542 RZXSVQQFTMNJHO-UHFFFAOYSA-N 408.454 4.631 0 40 HJAB CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2)s1 2428155 VJUXSPIAKYUQME-KRWDZBQOSA-N 423.881 4.610 0 40 HJAB O=C1C(=C(Cl)c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 2570570 OKDLUFIBIISKAV-UHFFFAOYSA-N 402.837 4.837 0 40 HJAB CCCCN(C)C(=O)CSc1nc(NCCc2ccccc2)c2ccccc2n1 2941493 CPBWCKRKMAMABN-UHFFFAOYSA-N 408.571 4.635 0 40 HJAB O=C(CSc1ncnc2sc3c(c12)CCCC3)NCc1ccccc1Cl 3326014 IJBJIZYJLIGFRD-UHFFFAOYSA-N 403.960 4.632 0 40 HJAB C[C@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)C(=O)c1ccccc1 3376217 HSSGSUOZYDUZBF-CABCVRRESA-N 414.962 4.907 0 40 HJAB CC[C@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cc1cccs1 4076721 PCMWZQUVHYXVHK-OAQYLSRUSA-N 404.601 4.608 0 40 HJAB CC(C)[C@H](c1nnnn1CCc1ccccc1)N1CCC(Cc2ccccc2)CC1 4860145 SDEFVGIGMBCMRP-XMMPIXPASA-N 403.574 4.568 0 40 HJAB O=C(COC(=O)/C=C/c1c(F)cccc1Cl)Nc1ccc(N2CCCCC2)cc1 5278892 JCHMDGXWCPBXRB-VAWYXSNFSA-N 416.880 4.665 0 40 HJAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)cc1C 5375136 KWJKUENJSXTMAF-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccc(F)c(F)c1F 5825601 LLTAQSMUQPNKRM-UHFFFAOYSA-N 409.458 4.718 0 40 HJAB CC(=O)Nc1ccc(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 6561108 FSRRGUAIWAZPGI-HXUWFJFHSA-N 403.507 4.750 0 40 HJAB O=C(CSc1nnc(Nc2ccccc2F)s1)NC12CC3CC(CC(C3)C1)C2 6597328 FCUXIJMGFQPQFJ-UHFFFAOYSA-N 418.563 4.598 0 40 HJAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cc(C)ccc1C 6711100 XEADKQZZVRGCPD-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB O=C(N[C@@H]1CCOc2ccccc21)c1cn(Cc2ccccc2)nc1-c1ccccc1 8029184 QFQYBMCMRGNCFV-HSZRJFAPSA-N 409.489 4.852 0 40 HJAB COc1ccc(-c2noc(CN(C(=O)c3ccc(OC(C)C)cc3)C(C)C)n2)cc1 8570362 QXUGUMBQSCUVNS-UHFFFAOYSA-N 409.486 4.583 0 40 HJAB O=C(c1cn(-c2ccc(C(F)(F)F)cc2)nn1)c1ncc(C(F)(F)F)cc1Cl 8782197 VLRRLQSXVNTOST-UHFFFAOYSA-N 420.700 4.584 0 40 HJAB CC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1 9403995 UXLSQUWBFHFFPB-UHFFFAOYSA-N 423.519 4.670 0 40 HJAB C[C@H]1Sc2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2NC1=O 9513918 KPXITMYEUPMXIQ-MLGOLLRUSA-N 409.536 4.706 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)no2)cc1 9597831 UDILRQRQNBDSER-UHFFFAOYSA-N 422.872 4.809 0 40 HJAB COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4ccc5ccccc5c4)c3)cn2n1 11693455 CWJPALXQAUEEKU-UHFFFAOYSA-N 424.460 4.819 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 11918095 KIIUSJUHNMBBIV-UHFFFAOYSA-N 422.510 4.596 0 40 HJAB CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(F)cc3)c3ccccn23)cc1 12342174 XAUTWYLNDDMNMR-UHFFFAOYSA-N 417.440 4.543 0 40 HJAB CCC[C@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)c1ccccc1 12814663 VTYKNCNQXQSWHE-FQEVSTJZSA-N 422.978 4.642 0 40 HJAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cccc(N2CCCC2=O)c1 12982403 HKKPWEVGRLVRRV-UHFFFAOYSA-N 421.522 4.963 0 40 HJAB CCCn1c(C)cc(-c2csc(NC(=O)CCCNC(=O)C(C)(C)C)n2)c1C 13007337 GFCMYDKHFSQXTR-UHFFFAOYSA-N 404.580 4.519 0 40 HJAB COc1cccc(CN(C)C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c1 13164020 JOIJKNMSIVJFNM-UHFFFAOYSA-N 423.513 4.874 0 40 HJAB O=C(Nc1ccccc1)Nc1ccc(S[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 13578811 DMEBVQKMOVCUNZ-FQEVSTJZSA-N 417.490 4.755 0 40 HJAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)OCN(C[C@H]1CCCO1)C3 13655278 VKNDZKDBMACSKF-QGZVFWFLSA-N 411.885 4.753 0 40 HJAB biogenic COc1ccc([C@@H]2CCCN2C(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 15601442 OLKNYPSGXVJMKG-FQEVSTJZSA-N 406.507 4.986 0 40 HJAB CC1CCN([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccco2)CC1 15860076 FDQNNNZJWGTYID-LJQANCHMSA-N 413.905 4.791 0 40 HJAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1 16014164 SIBPVIVHFXHGJK-UHFFFAOYSA-N 422.531 4.543 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)n[nH]c3C)cc2)c(Cl)c1 17089430 RELNFGNJECNLRZ-UHFFFAOYSA-N 412.946 4.706 0 40 HJAB COc1cc(NC(=O)COc2ccc(C)cc2)ccc1NC(=O)c1ccccc1Cl 17094141 IVRBKOIURSMGLE-UHFFFAOYSA-N 424.884 4.927 0 40 HJAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 17823260 IZJMFNVVBCQUHM-IBGZPJMESA-N 400.478 4.970 0 40 HJAB O=C(N[C@@H](c1ccccn1)C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(F)c1 19400835 BGEFAILJKYOVOP-XMMPIXPASA-N 421.491 4.743 0 40 HJAB Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)C[C@H]3CCCO3)CC2)n1 19691867 DHFHTCBPLTWOEX-JOCHJYFZSA-N 412.961 4.909 0 40 HJAB Cc1nc(N2CCC(Cc3ccccc3)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 20673053 YUEHTYOVTIVBSI-FQEVSTJZSA-N 401.510 4.750 0 40 HJAB O=C(Nc1ccccc1)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 22503859 RABSPYPRJVTBQI-UHFFFAOYSA-N 413.524 4.534 0 40 HJAB C[C@@H](CC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12)NC(=O)c1ccccc1 22879090 UTFFNRLGBKWHMU-BWSJFCHMSA-N 424.544 4.609 0 40 HJAB CCc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c1 26090376 DJSYRMMPTLZCMO-UHFFFAOYSA-N 421.547 4.740 0 40 HJAB COc1ccc(OC)c(CNC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 26328226 GTHRCDDOSRRBHW-UHFFFAOYSA-N 410.084 4.642 0 40 HJAB Cc1c(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(F)cc1 32786731 RQDDCZPRLADAQA-GFCCVEGCSA-N 413.403 4.556 0 40 HJAB O=C(NCCc1ccccc1)c1sc(=S)n2c1nc(O)c1cc(Cl)ccc12 33251336 MMSGCOJLTRKVRM-UHFFFAOYSA-N 415.927 4.610 0 40 HJAB COc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 33473218 LLFXPNUOEGHXEN-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB C[C@@H]1CCCC[C@@H]1N1C(=O)[C@@H](CC(=O)Nc2ccccc2)n2c1nc1ccccc12 39964054 ARQJGEPDWWYSNZ-LKUPVBHCSA-N 402.498 4.532 0 40 HJAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 40140798 XQGKFBNCMORABU-RYUDHWBXSA-N 424.385 4.650 0 40 HJAB Cc1ccc([C@H](NCC(=O)Nc2ccc3c(c2)OCCCO3)c2cccs2)cc1 57435569 HSKZZEBIQIYIAY-QHCPKHFHSA-N 408.523 4.536 0 40 HJAB O=C(Cc1ccncc1)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349451 XTSLOGDGHDRSAT-HXUWFJFHSA-N 405.929 4.670 0 40 HJAB COc1ccc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)CCOc2ccccc2)cc1 72356349 WNGWAEBDVACSRW-JOCHJYFZSA-N 405.498 4.608 0 40 HJAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(Cl)c1 72377141 RAVLSGWLOJVODT-MRXNPFEDSA-N 413.934 4.512 0 40 HJAB COc1ccc(CN2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1C 72398606 SLWQLUZMKVLMLA-URXFXBBRSA-N 423.601 4.823 0 40 HJAB CC(=O)N1CCc2cc(C(=O)N3CCc4cc(Cl)c(Cl)cc4[C@H]3C)ccc21 95965749 QEBPZVSGMBOWTC-GFCCVEGCSA-N 403.309 4.662 0 40 HJAB COc1cccc(-c2nc(-c3noc4ccc(C(=O)NC5CCCC5)cc34)co2)c1 96154341 JGHPDLPODYUCCJ-UHFFFAOYSA-N 403.438 4.831 0 40 HJAB C[C@@H](NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1)[C@H]1C[C@@H]2CC[C@@H]1C2 103100097 QLKRCHVENNKNSU-WOCWXWTJSA-N 403.950 4.636 0 40 HJAB CC(=O)N1CCC(Cc2ccnc(Nc3ncc(-c4ccc(F)cc4)s3)c2)CC1 143322837 CLSYQLFDCYNETN-UHFFFAOYSA-N 410.518 4.889 0 40 HJAB CCOC(=O)c1cn(Cc2cc(F)cc(F)c2)c2cc(C(F)(F)F)ccc2c1=O 199729486 JNGJWSGPQZKDHY-UHFFFAOYSA-N 411.326 4.524 0 40 HJAB O=C(c1ccc(C(F)(F)F)nc1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219328207 LSYYHHWSJDBABB-OAHLLOKOSA-N 402.388 4.699 0 40 HJAB Cc1ccc(OCCCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 223742719 CXEUTYLCSQNJJG-OAQYLSRUSA-N 422.569 4.630 0 40 HJAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1 224389499 HGAUBEYVJWTARX-FGZHOGPDSA-N 415.497 4.584 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 224740208 WCGCXOLQZQLKGF-INIZCTEOSA-N 421.368 4.788 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 224977040 AVQIFHPPGBOYCE-UXHICEINSA-N 412.599 4.809 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 225170934 HZGQASQJWLCKEQ-MOPGFXCFSA-N 414.977 4.831 0 40 HJAB O=C(N[C@@H]1CCCc2ccccc21)/C(=C/c1cccs1)NC(=O)c1ccccc1 225239871 ISBKKCQKUMHMTK-NCJDQSJGSA-N 402.519 4.713 0 40 HJAB CC(C)C(=O)N1CCC[C@H]2[C@@H]1C[C@@](C)(Cc1cccc(F)c1)N2C(=O)c1ccccc1 257231431 GGQLPZMPNZEAHD-JCYRPKCISA-N 422.544 4.689 0 40 HJAB CCCCc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)[nH]n1 257257896 KRNWITUFPISBMM-OAQYLSRUSA-N 410.493 4.838 0 40 HJAB Cc1cccc(CC(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3ccncc3)CC2)c1 257259014 KWLCBMXATDXQDK-JKIUYZKVSA-N 414.553 4.788 0 40 HJAB CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)CCC3CCCCC3)CCO2)n1 257270316 MTRYESKHGNKTDC-JOCHJYFZSA-N 411.546 4.868 0 40 HJAB Cc1ccc(NC(=O)COc2ccc(CNc3cccc(C(=O)O)c3)cc2)cc1Cl 408605368 GTAAYCICTCEVAB-UHFFFAOYSA-N 424.884 4.976 0 40 HJAB O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 408659988 LCQDXCQCNVFQQC-FFJKLIMNSA-N 418.276 4.922 0 40 HJAB COc1ccccc1Nc1nc2c(s1)CCc1c(Br)ccc(OC)c1-2 408892541 CGDAPPYCJFXUQA-UHFFFAOYSA-N 417.328 5.432 0 40 HJAB COc1c(Cl)cc(Cl)cc1C[C@H]1SC(=O)N(Cc2ccc(F)cc2)C1=O 409144010 OZRHAHUMEYKYDP-OAHLLOKOSA-N 414.285 4.948 0 40 HJAB Cc1s/c(=N\C(=O)c2ccc(F)cc2)n(C)c1-c1ccc(Br)cc1 409198304 CCIKFXMCZNUIPI-UZYVYHOESA-N 405.292 4.705 0 40 HJAB NC(=O)C[C@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccccc1 512533649 HBFMNABYKXCDAR-FQEVSTJZSA-N 412.411 4.719 0 40 HJAB COc1cc(C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)ccc1OC(F)F 523270191 LMPQSZKLLUPBHD-AWEZNQCLSA-N 424.875 4.515 0 40 HJAB COc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 786666 VBBGXEAZNVLLFU-XMMPIXPASA-N 418.518 4.722 0 40 HJAB O=C(c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CCCCC1 865280 ZPKSZVCRNJOYCT-KBPBESRZSA-N 412.843 4.823 0 40 HJAB Cc1cc(C)cc(-c2nnc(SCC(=O)N3CCC(Cc4ccccc4)CC3)o2)c1 929476 OGSIGMQHGWRIBX-UHFFFAOYSA-N 421.566 4.927 0 40 HJAB Cc1ccc(NC(=S)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@H]2CCCO2)cc1 1224205 MGNIFBFOHQXRFS-OAQYLSRUSA-N 421.566 4.523 0 40 HJAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)N4CCCCC4)c23)C1 1377268 BHBALXQESAGSOJ-ZDUSSCGKSA-N 401.601 4.798 0 40 HJAB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(OC(=O)c3ccco3)cc12 1522207 ZOKJOIDAVZLMPM-UHFFFAOYSA-N 419.433 4.936 0 40 HJAB CC[C@H](C)OC(=O)[C@@H](C)n1cnc2scc(-c3ccc(OC(C)C)cc3)c2c1=O 1784786 OOQWFVMURNJBRG-LSDHHAIUSA-N 414.527 4.815 0 40 HJAB COc1ccc(OC)c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c1 2409790 JAUJIVKKZSROKM-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB COc1cc2c(cc1OC)CN(C(=O)Cc1coc3ccc4ccccc4c13)CC2 2640500 XPNLVRHELVRSFL-UHFFFAOYSA-N 401.462 4.731 0 40 HJAB COc1ccc(C)cc1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3319179 KLQLHUQGEAPIMP-UHFFFAOYSA-N 416.433 4.607 0 40 HJAB CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3ccco3)o2)n(-c2ccccc2)n1 3442084 ISHQRLPVSOYEMZ-UHFFFAOYSA-N 423.498 4.544 0 40 HJAB Cc1nnc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1-c1ccccc1 3450210 ZELKXVXQKPLHQE-UHFFFAOYSA-N 414.534 4.574 0 40 HJAB COc1ccc(C2=NN3[C@H](c4ccccc4)Oc4c(OC)cccc4[C@H]3C2)cc1OC 4872090 NJHVRHMSDDWBDE-NLFFAJNJSA-N 416.477 4.955 0 40 HJAB CC(C)c1ccc(CN2C[C@H](C(=O)Nc3ccc(Br)cc3)CC2=O)cc1 5522907 BYRAOTHRSPIEGF-QGZVFWFLSA-N 415.331 4.560 0 40 HJAB CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1 5875960 QJJHMVCFYQTVPH-HNNXBMFYSA-N 413.543 4.585 0 40 HJAB CCCCOc1cccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)c1 6323583 FBIIIZITPVISPS-UHFFFAOYSA-N 411.527 4.564 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)c(C)c1 6456154 RKVPSPGGBVDRJG-UHFFFAOYSA-N 406.511 4.884 0 40 HJAB CN(C)S(=O)(=O)c1cc(NC(c2ccccc2)c2ccccc2)ccc1Cl 6544234 JZNICFATKLWXEH-UHFFFAOYSA-N 400.931 4.792 0 40 HJAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O 6656649 WGVKCQBPNKEIRA-XDHOZWIPSA-N 401.459 4.860 0 40 HJAB O=c1c2ccccc2n2c(-c3ccc(F)cc3)nnc2n1Cc1ccccc1Cl 6781219 NJFXHDIFNXECJO-UHFFFAOYSA-N 404.832 4.552 0 40 HJAB O=C(Nc1ccccc1)C1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1 7001080 DKKSQHPVJNXILQ-UHFFFAOYSA-N 416.550 4.914 0 40 HJAB Cc1nc2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2n1-c1ccccc1 8130490 WEHXVQMHBSSXCF-UHFFFAOYSA-N 410.477 4.713 0 40 HJAB COc1ccc(NC(=O)Cc2c(C)c3c(cc(C)c4c(C)coc43)oc2=O)cc1OC 8491558 WEKYMBVTWYZPFU-UHFFFAOYSA-N 421.449 4.663 0 40 HJAB biogenic CCC[C@H](NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCC)c1ccccc1 8538824 XRUFJVAFLNFAHH-XLIONFOSSA-N 423.582 4.945 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1Cl 8640492 FPFCUCFVSRBKED-UHFFFAOYSA-N 419.959 4.556 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](NCc1cn2ccccc2n1)c1ccccc1 8746628 SMOPSNBJTQYGDF-NRFANRHFSA-N 424.426 4.823 0 40 HJAB Brc1ccc(-c2nnc(CSc3ncnc4sccc34)o2)s1 8850924 CXCSNEZRKMWDCG-UHFFFAOYSA-N 411.331 4.858 0 40 HJAB Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3cccc(Cl)c3)ccc1O2 8961271 PTRGHDLVNHUZNM-UHFFFAOYSA-N 414.870 4.807 0 40 HJAB O=C(NCc1nc2ccccc2n1Cc1ccccc1)c1cccc(Br)c1 9057707 KDXBOBZJWBZUPL-UHFFFAOYSA-N 420.310 4.777 0 40 HJAB S=C(Nc1ccc(I)cc1)N1CCCC[C@H]1c1cccnc1 9405000 QOTVPVVMMCWYHH-INIZCTEOSA-N 423.323 4.610 0 40 HJAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@@H]1CCSc2ccc(F)cc21 9467281 NKVKZWYAFYMGKO-OAHLLOKOSA-N 424.526 4.652 0 40 HJAB Cn1ccnc1[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1 9680015 QAQVSIPIXVEIMI-JOCHJYFZSA-N 420.900 4.567 0 40 HJAB CCOc1cccc2cc(-c3csc(NC(=O)[C@H]4COc5ccccc5O4)n3)oc12 10750259 GEQYEUNBEPGHBL-LJQANCHMSA-N 422.462 4.734 0 40 HJAB COc1ccc(C(=O)Nc2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)cc1OC 12225666 NKGHHOMTOHLJKZ-UHFFFAOYSA-N 422.485 4.585 0 40 HJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cc(Cl)ccc1OC)O[C@@H](C)C2 12590787 SSWAPUYMGPHPGU-QWHCGFSZSA-N 404.894 4.510 0 40 HJAB Cc1cccc(COc2ccccc2C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c1 12788314 UEHXCLYAVHAUNP-UHFFFAOYSA-N 414.505 4.853 0 40 HJAB O=C(CN1C(=O)CCOc2ccccc21)Nc1ccccc1SCc1ccccc1 12915895 CGSKWPQAOIRPTI-UHFFFAOYSA-N 418.518 4.733 0 40 HJAB Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)Nc4ccccc4F)cc3)nn2)n1 13009937 PECHSTSOKSXCBT-UHFFFAOYSA-N 417.448 4.806 0 40 HJAB Cc1ccc(C)c(NC(=O)Cn2nc(C3CCCCC3)n(-n3cccc3)c2=S)c1 16777960 SHGMCRWZWVFIKK-UHFFFAOYSA-N 409.559 4.830 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 16839916 IXNPSVYQWAQEBC-UHFFFAOYSA-N 404.853 4.910 0 40 HJAB COc1ccc(CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1F 18083859 UCBZZSSCEDNHSA-MRXNPFEDSA-N 406.457 4.507 0 40 HJAB Cc1ccc(C(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4c(O)n3)C2)cc1 19135200 IMWXUULTVZIPCT-OAHLLOKOSA-N 415.415 4.682 0 40 HJAB Cc1ccc([C@@H](C)C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)CC2)cc1 19135781 RWNUHGSUFWLEDV-LSTHTHJFSA-N 416.516 4.533 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccccn2)C1 19449568 WXRSGCCTDRYSMQ-VWLOTQADSA-N 419.594 4.770 0 40 HJAB CC(C)c1ccc2c(c1)C(=O)C(=O)N2CN1CCC(c2nc3ccccc3s2)CC1 23908294 WWYQLULEDXDWOK-UHFFFAOYSA-N 419.550 4.786 0 40 HJAB O=C(NCc1ccc(Br)s1)c1ccccc1C(=O)c1ccccc1 25474997 FAOVLZYCERNBLG-UHFFFAOYSA-N 400.297 4.672 0 40 HJAB CC[C@H](C)NC(=O)C[C@H](c1ccc(OC)cc1)c1cc(Br)ccc1O 27517426 PDNKVTNDTIQLFN-SUMWQHHRSA-N 406.320 4.600 0 40 HJAB COc1ccc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccccc2C)c(OC)c1OC 30757914 ZBKUFRVSIDERPF-VUNQTZOZSA-N 417.505 4.940 0 40 HJAB CC(=O)N[C@H](CC(=O)Nc1cccc(COc2cccc(F)c2)c1)c1ccccc1 31397562 XHEOCCUZBTVDSL-HSZRJFAPSA-N 406.457 4.611 0 40 HJAB COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3cccc(Cl)c3Cl)nn1C)C2 32097270 QCBWSVZNMJASMC-UHFFFAOYSA-N 418.280 4.568 0 40 HJAB O=C(Cc1csc(-c2ccccn2)n1)Nc1ccc2c(c1)OC1(CCCCC1)O2 32854812 DWNFMMKXPYZBLA-UHFFFAOYSA-N 407.495 4.818 0 40 HJAB Cc1nc2cc(NC(=O)[C@@H]3CCCN3c3ncc(C(F)(F)F)cc3Cl)ccc2o1 32932551 DWQLXYHXSSDQAW-HNNXBMFYSA-N 424.810 4.811 0 40 HJAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@H](CCc3ccoc3C=O)[C@H](COC(C)=O)CC[C@@H]12 33681874 ZHHSQWXVDIXZCB-ZTJKWNHSSA-N 418.530 4.600 0 40 HJAB biogenic CCOc1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 44851380 CWKGPUWWWGWFCJ-NRFANRHFSA-N 414.977 4.700 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3C)n2)cc1 46012230 UNOVOJBRUZBHNI-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB O=C(C[C@H]1CCCO1)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 58358092 NHMRZBLMPRXRGS-CYBMUJFWSA-N 419.250 4.904 0 40 HJAB COc1ccc(CSc2nc3cc(F)c(F)cc3[nH]2)c(Br)c1OC 58404809 AGDFTJZBDUCCDS-UHFFFAOYSA-N 415.259 4.913 0 40 HJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(F)ccc2C)nc1 67294392 VFMKQVDRLYKFNW-RWEWTDSWSA-N 403.413 4.774 0 40 HJAB Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)s2)o1 69487027 LEGXYXKZDBLUJC-AEFFLSMTSA-N 400.475 4.809 0 40 HJAB CC1(C)C[C@H](NC(=O)CCn2ccc3cc(OCc4ccccc4)ccc32)CCO1 71287967 CHRFTHVFLICHFC-OAQYLSRUSA-N 406.526 4.684 0 40 HJAB CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4)CC3)[nH]n2)cc1 72331238 PMQVFISSIACIBQ-UHFFFAOYSA-N 418.541 4.526 0 40 HJAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccc3ccccc3n2)C1 72361003 PQMCVRIKGQOQAS-KRWDZBQOSA-N 416.550 4.536 0 40 HJAB O=C(C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21)NC1CCC1 96052760 YBTZLPNSMDYYPR-FQEVSTJZSA-N 406.545 4.906 0 40 HJAB COc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC2CCC2)c2ccccc23)cc1 96052762 VIGZRICNOOXBMD-OAQYLSRUSA-N 418.581 4.775 0 40 HJAB COc1ccc2[nH]c(=O)c(/C=C3\SC(=O)N=C3Nc3ccc(Cl)cc3)cc2c1 101722883 YMRCDVFIBMUEES-YVLHZVERSA-N 411.870 4.908 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OC)c1OC 214143553 OMLBTVRWMSMFOW-MHWRWJLKSA-N 419.886 4.602 0 40 HJAB Cc1cc(OCC(=O)Nc2ccccc2Br)cc(C)c1Br 218833029 AQMJSAXUFANFIH-UHFFFAOYSA-N 413.109 4.846 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1ccncc1 222591360 OPVSSMMVOUAXGA-SSKFGXFMSA-N 403.555 4.533 0 40 HJAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCC(C)C 223200017 BUWMDAQKLDFJQX-HSZRJFAPSA-N 412.549 4.728 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSc1ccccc1 223675424 JIXBCBBKUCPPDI-OAQYLSRUSA-N 412.599 4.543 0 40 HJAB Cc1cccc(OCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1C 223948982 RISLUIOZAFFIMJ-UHFFFAOYSA-N 418.940 4.503 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCC3CCCCCC3)c2)cc1 223958538 DQVVZMOJMNAYHD-UHFFFAOYSA-N 414.571 4.886 0 40 HJAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1 224114569 DEYFNXNAUPUKSZ-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 224167288 HLEVDALLCFPZKG-DEOSSOPVSA-N 420.553 4.988 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 224199417 RUYRNWZRWMSKKW-HSZRJFAPSA-N 424.610 4.953 0 40 HJAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccccc1OC 224238749 KMTHYOCKNQRUEW-UHFFFAOYSA-N 411.885 4.866 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 225103320 GHEXJGIBTGRHNN-JOCHJYFZSA-N 412.599 4.729 0 40 HJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC 225460624 LTARHZRMUGHPTL-JOCHJYFZSA-N 414.977 4.996 0 40 HJAB C[C@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 245263864 BHIBQOONCFCENX-ZZAJSIFASA-N 401.522 4.510 0 40 HJAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c(C)c1 408661179 DTUFQAMEKXYQIH-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1 408671851 LRLAXBPALOQETA-KNXBSLHKSA-N 416.521 4.765 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(C)cc2)cc1 408697513 JYZUYELJSCNBSG-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB CC(=O)N1CCCCCCCN(C(=O)c2cc(CC(C)C)nn2C)Cc2ccccc21 643553359 ODRGXTHRUNIGTG-UHFFFAOYSA-N 424.589 4.578 0 40 HJAB CCOC(=O)c1cnn(-c2cc(Oc3cccc4ccccc34)nc(SC)n2)c1C 633046 MIKZYPWREDBRQU-UHFFFAOYSA-N 420.494 4.815 0 40 HJAB COc1ccc(OC)c(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)c1 803910 QPIOIMGHNYPBMV-UHFFFAOYSA-N 411.508 4.877 0 40 HJAB COc1ccc(NC(=S)N2CCC[C@H](c3nc4cc(C)c(C)cc4[nH]3)C2)c(OC)c1 1350139 ZYBLZOCGCSPPMJ-INIZCTEOSA-N 424.570 4.773 0 40 HJAB Cc1ccc2c(c1)N(CC(=O)N1c3ccccc3Sc3ccccc31)C(=O)CO2 1362085 XWJONXZICXSVRA-UHFFFAOYSA-N 402.475 4.550 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1 1389010 WVIGIBFMVFTWKF-UHFFFAOYSA-N 401.900 4.564 0 40 HJAB Cc1ccc(C)c(OCc2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)o2)c1 3354443 KNFXICWUIOBSBC-LJQANCHMSA-N 423.538 4.551 0 40 HJAB Cc1ccccc1Nc1nnc(SCC(=O)N[C@@H]2CCCc3ccccc32)s1 3465313 ZNICEAMTDPTBDZ-GOSISDBHSA-N 410.568 4.876 0 40 HJAB aggregator COc1ccc(C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)c(OC)c1 4162435 RPOHZXGFXAPJNW-UHFFFAOYSA-N 416.433 4.955 0 40 HJAB CC(C)(C)OC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 4405130 UDTYNQDXMMGUHV-UHFFFAOYSA-N 403.454 4.646 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C(C)C)c3ncnn32)cc1 4816781 HJZYYPSHSVKLCO-UXHICEINSA-N 410.905 4.664 0 40 HJAB Cc1ccc(C(=O)c2c(NC(=O)CN3CCCC[C@@H]3C)sc3c2CCCC3)cc1 4847598 DCPMZSRCZRKYDE-KRWDZBQOSA-N 410.583 4.979 0 40 HJAB COc1cc(/C=C2/N=C(C)OC2=O)cc(Br)c1OCc1ccc(C)cc1 5387260 PQFDRHNXNLBQOW-RQZCQDPDSA-N 416.271 4.661 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1Cc1cccnc1 5516341 SQKMKBAWQYXSTL-FQEVSTJZSA-N 402.837 4.587 0 40 HJAB COc1ccc(C(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2C)cc1 6050054 SNEXFRQZEAQYRI-UHFFFAOYSA-N 411.527 4.501 0 40 HJAB Cc1cc(C)nc(SCC(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)n1 6083511 BXOTVVZUSFXHCU-UHFFFAOYSA-N 409.540 4.737 0 40 HJAB CC(C)COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 6238889 MGOQFHKRRJANFA-UHFFFAOYSA-N 422.447 4.829 0 40 HJAB O=C(COC(=O)c1ccc(-n2cccc2)cc1)Nc1ccccc1Cc1ccccc1 6589317 MFZABTCFXZFOJI-UHFFFAOYSA-N 410.473 4.864 0 40 HJAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccc(Br)c1 6615769 WKLIHHYYKVERGR-UHFFFAOYSA-N 418.360 4.566 0 40 HJAB O=C(CN1CCC[C@@H]1c1cccs1)N1CCC[C@@H](c2nc3ccccc3s2)C1 7363008 WKPACDBSEVPPRR-SJLPKXTDSA-N 411.596 4.901 0 40 HJAB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Nc1cccc(CO)c1 8032136 YILAYJZBRZSEGZ-UHFFFAOYSA-N 417.896 4.866 0 40 HJAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(OCc2cscn2)cc1 8707976 TWHCIHOAXDZYPZ-UHFFFAOYSA-N 413.587 4.641 0 40 HJAB C[C@@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)NC1CCCCC1 8719799 VMHFKNHJCRXVLJ-GFCCVEGCSA-N 408.365 4.769 0 40 HJAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c1 9135408 BUUKSVOLHCDRBV-UHFFFAOYSA-N 402.450 4.703 0 40 HJAB Cn1c(-c2ccc(F)cc2)c([C@@H]2c3ccccc3C(=O)N2CC(=O)O)c2ccccc21 9526148 OCOHWMKYWBSCIV-DEOSSOPVSA-N 414.436 4.614 0 40 HJAB O=C(CSc1nnc(-c2ccco2)o1)N[C@@H](c1ccc(F)cc1)c1cccs1 9951173 LUCVMSURWIIKKE-KRWDZBQOSA-N 415.471 4.528 0 40 HJAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2ccccc2Oc2ccccc2)cc1 10218579 MYTCQOPZGMDJIY-UHFFFAOYSA-N 409.507 4.980 0 40 HJAB O=C(CNc1cccc(Cl)c1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 12771315 HDWQJKSFCQFFSL-UHFFFAOYSA-N 414.914 4.818 0 40 HJAB CCC(C)(C)C1CCC(NC(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)CC1 12971906 KGJNYUZTFBTALS-UHFFFAOYSA-N 421.010 4.998 0 40 HJAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 14126617 HZZDBURRQFNWSY-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB COc1ccc(-c2nc(C)c(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)cc1 15657943 NPCGRYMJJSFYSL-UHFFFAOYSA-N 421.566 4.522 0 40 HJAB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4)cc3O)nc2c1 17091069 KADYDQKSJFAKND-UHFFFAOYSA-N 417.490 4.944 0 40 HJAB O=C(c1cc2ccccc2nc1C1CCN(Cc2ccccc2F)CC1)N1CCCC1 19376243 DXZIDXXPJPKRTI-UHFFFAOYSA-N 417.528 4.990 0 40 HJAB COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3N2Cc2c(C)cc(OC)c(C)c2C)cc1 19713935 LWMGUXUUGBZZLR-RBZQAINGSA-N 422.569 4.613 0 40 HJAB Cc1cc(C)cc(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccccc2)c1 19947355 SWQBKRTYPFTAOY-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Nc1cccc(CO)c1)c1ccccc1 21473283 BRGBUNZNSFRJTF-FQEVSTJZSA-N 400.400 4.990 0 40 HJAB CCc1ccccc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 22275170 RTXSKPNRZVSNBJ-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(I)cc1C 22533526 POQRDUFIMPVPLM-QGZVFWFLSA-N 409.267 4.704 0 40 HJAB CCOc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(F)cc3F)nc12 23108259 CTFZPPFCUCTHHR-AWEZNQCLSA-N 418.465 4.799 0 40 HJAB COCCOc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)ccc1OC 24938472 ZMUNCAXTLSAFQO-UHFFFAOYSA-N 401.459 4.840 0 40 HJAB CC(C)CCN(Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S)C1CC1 26626196 MENUAHNLABPDCQ-UHFFFAOYSA-N 407.587 4.992 0 40 HJAB Cc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)c1ccc(Cl)cc1)S2 27525590 HZFOFOPHMDMCHG-RDJZCZTQSA-N 405.310 4.535 0 40 HJAB Cc1cccc(CSc2nnc(Nc3ccc(C)c(C)c3)c(=O)n2-n2cccc2)c1 28535103 SZHTUSZSUZHSGN-UHFFFAOYSA-N 417.538 4.712 0 40 HJAB C[C@H]1CCc2[nH]c3c(C(=O)Nc4cccc(NC(=O)NC5CC5)c4)cccc3c2C1 30731022 ILJKIEDMBTVBPP-AWEZNQCLSA-N 402.498 4.829 0 40 HJAB COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 30852423 YDUHZLNRXHKYBT-LJQANCHMSA-N 400.522 4.745 0 40 HJAB COC[C@H]1CCCN1C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3cccnc3)o2)C[C@H]1C(C)C 30882906 GRIXRNROZSZXME-GPJHCHHRSA-N 424.589 4.640 0 40 HJAB biogenic,in-vitro COC(=O)c1cc(NC(=O)CSc2ccc(Br)cc2)ccc1Cl 31056667 CRQGFTHBFUUWTJ-UHFFFAOYSA-N 414.708 4.620 0 40 HJAB Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(CN2CCC(C)CC2)cc1 32769526 KFXNGZDZTUMIHU-UHFFFAOYSA-N 423.582 4.802 0 40 HJAB O=C(Nc1ccc(F)cc1)Nc1ccccc1SCc1cc(=O)n2ccccc2n1 33026641 REALHBJCGLWVOP-UHFFFAOYSA-N 420.469 4.770 0 40 HJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@H]2CC(=O)[C@@]2(C)c4c(O)cc(C)cc4C[C@H]32)C1 33714045 WMRIDQKUHHKMSD-AZFDKITHSA-N 410.554 4.868 0 40 HJAB O=c1c2c(ncn1Cc1ccccc1)c1cc(F)ccc1n2Cc1ccc(F)cc1 35400312 YNEFFKWIYRUWER-UHFFFAOYSA-N 401.416 4.726 0 40 HJAB Cc1cc(C)n(CCCNC(=O)c2cc3occc3n2Cc2ccccc2Cl)n1 36360232 BGMDQBWULLKUGK-UHFFFAOYSA-N 410.905 4.569 0 40 HJAB O=C(NC[C@@H]1CCCO1)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c12 36618511 QOJKNKPHFPVKHG-SFHVURJKSA-N 417.440 4.605 0 40 HJAB CN(C(=O)CSc1nnnn1C1CCCCC1)C(c1ccccc1)c1ccccc1 40009969 XJXYQQRWZPYQRO-UHFFFAOYSA-N 421.570 4.518 0 40 HJAB CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3F)s2)cc1Cl 40080466 IWYLHBKHBHKIHR-UHFFFAOYSA-N 424.906 4.831 0 40 HJAB CN(C(=O)c1ccc(CNC(=O)c2cccs2)cc1)C1C2CC3CC(C2)CC1C3 40133222 VERFBISBPUBSPX-UHFFFAOYSA-N 408.567 4.575 0 40 HJAB COc1ccc(Br)cc1CN(C)C(=O)Nc1cccc2cnccc12 43162445 LHSVJXOHUYFLAE-UHFFFAOYSA-N 400.276 4.670 0 40 HJAB CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccccc2Cl)C1 44803612 XJJCCNNWXHTCQE-OAHLLOKOSA-N 410.905 4.537 0 40 HJAB CCOc1ccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1 57487246 YGOAITMQQHRPIL-UHFFFAOYSA-N 422.872 4.896 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)cc1 59133016 LDHVTPBWKRMQLK-UHFFFAOYSA-N 412.536 4.527 0 40 HJAB Cc1cccc(-c2c[nH]c3c(SCC(=O)Nc4cc(F)ccc4F)ncnc23)c1 65113690 SKRKTMPYFRYJPW-UHFFFAOYSA-N 410.449 4.942 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(F)c1 72330503 OTUMIUCTZRIJTC-RDPSFJRHSA-N 421.491 4.743 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)cc1 72349555 SNJNYKYMFFMUNW-HXUWFJFHSA-N 404.485 4.845 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(C)cc3)n2)cc1 72357967 VVUSRFPUUZTKCE-RUZDIDTESA-N 400.522 4.896 0 40 HJAB Cc1cc(Nc2ccc(C(=O)O)cc2)c2cc(I)ccc2n1 78401649 MJAITFNSDCLOCN-UHFFFAOYSA-N 404.207 4.590 0 40 HJAB CC1(C)CC(=O)c2cc(C(=O)N3CCCC[C@@H]3CCCc3ccccc3)c(=O)[nH]c2C1 84673746 YDYCJESJPAAGLM-LJQANCHMSA-N 420.553 4.548 0 40 HJAB FC(F)(F)c1cc(NC[C@H]2CN(Cc3ccccc3)CCO2)c2ccccc2n1 89834967 JGASLBUECYECJQ-KRWDZBQOSA-N 401.432 4.567 0 40 HJAB Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F 95458910 LXGKBWUIUDEEBH-XLIONFOSSA-N 407.480 4.831 0 40 HJAB CN1CCN(c2nc(NC34CC5C[C@](C)(C3)C[C@](C)(C5)C4)c3ccccc3n2)CC1 100170026 BGLAHJOAUWFLKF-GRJUKZSVSA-N 405.590 4.543 0 40 HJAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 102093759 GTXOYGYFQVPDTR-UFOPBENGSA-N 409.869 4.840 0 40 HJAB CC(=O)OC[C@H](OC(C)=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118928598 URKJWXDOTCRSDL-DMRDWKPJSA-N 420.590 4.645 0 40 HJAB O=C(c1ccccc1C(F)(F)F)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 219191360 PVYWSQCGELADNC-SFHVURJKSA-N 409.429 4.755 0 40 HJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 222938192 MZFGUZSVVCLQBP-NHCUHLMSSA-N 421.522 4.668 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1Cc1cccnc1 223479245 ACOAHSATCUWAGL-XZOQPEGZSA-N 417.582 4.956 0 40 HJAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 223877886 CSMBZKSDWSOELN-FGZHOGPDSA-N 404.539 4.881 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCSc1ccccc1 224054724 MKOIYFIKNVGJTO-KRWDZBQOSA-N 416.562 4.640 0 40 HJAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1ccccc1OC 224581327 DBSKMPQXNXKVME-UHFFFAOYSA-N 421.493 4.612 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)N3CCC(Cc4ccccc4)CC3)o2)cc1 224853162 BIPOTAIJSXVWRV-UHFFFAOYSA-N 404.510 4.764 0 40 HJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)c1ccc(C)cc1 225752889 UZZWECALHRSHIZ-NRPPHEFGSA-N 402.494 4.935 0 40 HJAB C[C@H](NC(=S)Nc1nc(N2CCCC2)cc(N2CCCC[C@H]2C)n1)c1ccccc1 260710403 HBXQLELFTUUPKQ-MSOLQXFVSA-N 424.618 4.503 0 40 HJAB C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 536763631 OJCOSWPNBGNDBX-MOXGXCLJSA-N 406.448 4.713 0 40 HJAB O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCCN(Cc2ccc3nc[nH]c3c2)CC1 585270092 DXBQVEBDQVGMKV-NRFANRHFSA-N 420.340 4.666 0 40 HJAB CC(=O)c1ccc(N2C(=O)C[C@@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1 800298 PBJBGBORQXOSOT-ZOGILVBSSA-N 416.521 4.527 0 40 HJAB CCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(OC)cc2)cc1 820407 WNNCAQDKYHWKRV-HAVVHWLPSA-N 416.477 4.504 0 40 HJAB Cc1ccc(C)c2c1[nH]c1nc(SCC(=O)Nc3ccc(F)c(Cl)c3)nnc12 906431 UXOUCRVMVSPZHS-UHFFFAOYSA-N 415.881 4.646 0 40 HJAB O=C(Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1ccc2c(c1)OCCO2 970788 VHCIXJIKNWEQOF-UHFFFAOYSA-N 422.444 4.597 0 40 HJAB Cc1ccccc1C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1 1261902 QNEBOODZGNOPLB-UHFFFAOYSA-N 407.461 4.741 0 40 HJAB CCCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cccc(OC)c4)n3)ccc21 1365692 DFMSIIGYOICJBV-UHFFFAOYSA-N 421.522 4.760 0 40 HJAB COc1ccccc1C(=O)N[C@@H](Nc1ccc(C)cc1C)C(Cl)(Cl)Cl 3014743 WQFDTJNZFNOAAM-QGZVFWFLSA-N 401.721 4.850 0 40 HJAB Cc1cc(NC(=O)c2ccc(Cl)cc2)n(CCOC(=O)c2ccc(Cl)cc2)n1 3182739 SYUOKICOGMLPFJ-UHFFFAOYSA-N 418.280 4.608 0 40 HJAB O=C(CNc1ccc(Cl)cc1)Nc1ccc(Br)cc1Br 3399454 OCKILTSTFCRHRB-UHFFFAOYSA-N 418.516 4.916 0 40 HJAB CCCCNC(=S)N(Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 4132941 VXMSFOJISQVYKA-UHFFFAOYSA-N 407.583 4.822 0 40 HJAB C[C@@H](C(=O)NC1CCCC1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1F 4161209 UIHNCJJWHIJCRT-KRWDZBQOSA-N 419.500 4.915 0 40 HJAB O=C1CS[C@H](c2ccc(F)cc2)N1c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4181603 BXVSXODMCLQYGT-IWGLNFRWSA-N 415.559 4.924 0 40 HJAB aggregator CC1(C)N=C(SCC(=O)Nc2ccc(Br)cc2)C(c2ccccc2)=N1 4890960 CLQVSQUCGRAKSN-UHFFFAOYSA-N 416.344 4.758 0 40 HJAB O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1ccccc1F 4903397 HFDHWXGBOQJZPO-SFHVURJKSA-N 415.468 4.775 0 40 HJAB COc1cccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccccc3)[nH]2)c1 4927688 SFKFUSZQYJORBX-UHFFFAOYSA-N 419.506 4.754 0 40 HJAB Cc1cccc(NCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)c1 5012213 XOGCAIXDDLSEBJ-UHFFFAOYSA-N 416.344 4.855 0 40 HJAB CCCCn1c(N)c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc21 5066906 OBJOICARRSSICL-UHFFFAOYSA-N 407.905 4.550 0 40 HJAB CCCCCCn1nc(C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2c1=O 6303160 DJBCVFBKMSGMES-UHFFFAOYSA-N 413.905 4.891 0 40 HJAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(OCC)cc2)cc1 6630806 IEEFGWHSQOLZOB-UHFFFAOYSA-N 404.466 4.504 0 40 HJAB CCc1ccccc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21 7616057 GNJCJWOVOHOMRC-UHFFFAOYSA-N 417.896 4.918 0 40 HJAB O=C(CN1CC=C(c2ccccc2)CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 7647391 SMTQTPHCXLFJLP-OAQYLSRUSA-N 417.578 4.792 0 40 HJAB Cc1ccccc1CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1 8024154 IUMCPHGRMJCZLE-UHFFFAOYSA-N 408.548 4.993 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 8434545 CAPNYKCNDNSHJI-UHFFFAOYSA-N 408.841 4.851 0 40 HJAB CCN(Cc1ccc(Cl)s1)C(=O)CSc1nc(NC)c2ccccc2n1 8718717 CYTNCOABSKAZNZ-UHFFFAOYSA-N 406.964 4.527 0 40 HJAB CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21 8840989 IIMJXCCZFGLKAL-UHFFFAOYSA-N 420.962 4.607 0 40 HJAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2)c1ccc(F)cc1Cl 9038352 OXXXBPXOGYFSRZ-UHFFFAOYSA-N 408.860 4.930 0 40 HJAB Cc1cccc2sc(N(CCCN(C)C)C(=O)Cc3ccc(Cl)s3)nc12 10061579 PPMHZTUUPCSYHX-UHFFFAOYSA-N 407.992 4.847 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1cc2ccccc2o1 10675344 MHMAYXIZQDJWMQ-UHFFFAOYSA-N 410.474 4.890 0 40 HJAB COc1cccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)c1OC 10748635 WUPFUVZQUCPDPL-UHFFFAOYSA-N 410.451 4.834 0 40 HJAB CCn1nc(C(=O)Nc2cc(-c3ccccc3)nc3ccccc23)c2ccccc2c1=O 12545147 ZSJBTKSNHMTVSH-UHFFFAOYSA-N 420.472 4.884 0 40 HJAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 13685705 PQIUDHVYKLNEJT-HXUWFJFHSA-N 416.521 4.682 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 18066047 UTTZDGLCMGGDLF-QHAWAJNXSA-N 422.843 4.530 0 40 HJAB COc1ccc(C2=N[C@H](C(Cl)(Cl)Cl)N=C(C(Cl)(Cl)Cl)N2)cc1 19227943 QZDIPJGJSGEEIF-VIFPVBQESA-N 423.942 4.510 0 40 HJAB CCn1cc(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cn1 19694629 JEZGAKYJJQGKNG-OAQYLSRUSA-N 424.980 4.807 0 40 HJAB COc1ccccc1-c1nnc(SCc2ccc(I)cc2)o1 21146975 AENBBCPYFNCZES-UHFFFAOYSA-N 424.263 4.642 0 40 HJAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 22253287 MWONKPZCBYPVLC-RDJZCZTQSA-N 409.555 4.676 0 40 HJAB O=C(Nc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1)C1CC1 25898269 YXHCNPJAIDJVCO-QFIPXVFZSA-N 402.519 4.885 0 40 HJAB Cc1c(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)oc2ccc(Br)cc12 27590784 LQLGMZDDBSMLCL-KRWDZBQOSA-N 419.294 4.676 0 40 HJAB C[C@H](Oc1cccc(Br)c1)C(=O)NCc1cccc(C(F)(F)F)c1 27974842 DAXDOOADMWBXAS-NSHDSACASA-N 402.210 4.552 0 40 HJAB COCCCNc1nc(Nc2cc(C)cc(C)c2)c2cnn(-c3ccccc3)c2n1 28426718 QMPOALPWFSUAKH-UHFFFAOYSA-N 402.502 4.624 0 40 HJAB Cc1cccc(C(=O)Cn2nc(N)n(Nc3ccc(C(C)(C)C)cc3)c2=S)c1C 28527383 AJBASSTYHPGEGC-UHFFFAOYSA-N 409.559 4.669 0 40 HJAB COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc2c(c1)NC(=O)CS2 30476795 IDYIYALQQCCQMJ-UHFFFAOYSA-N 424.547 4.644 0 40 HJAB COc1cc(/C=C2\c3ccccc3Cn3c2nc(=O)c2ccccc23)c(OC)cc1C 32223319 CZAFEXYEWOSSHV-FYJGNVAPSA-N 410.473 4.673 0 40 HJAB Cc1csc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)n1 35289682 KKGAKYSJJJLIDT-UHFFFAOYSA-N 412.515 4.719 0 40 HJAB COc1cc(/C=C\C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc(OC)c1OC 35586290 ULAUJZCAGRHKDX-FLIBITNWSA-N 422.506 4.586 0 40 HJAB C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@H](C(F)(F)F)C1 35600914 UTSWMUVKQRJNRT-AEFFLSMTSA-N 406.448 4.867 0 40 HJAB Cc1ccccc1CN1CCC(C(=O)NCCSCc2ccc(Cl)cc2)CC1 39757932 LFTPMCTYRZEITP-UHFFFAOYSA-N 417.018 4.910 0 40 HJAB COCc1cccc(NC(=O)Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)c1 40133070 AXPLZIXCUUJQHU-UHFFFAOYSA-N 417.431 4.836 0 40 HJAB COc1ccc(C(=O)Nc2cc(C)c(I)c(C)c2)cc1Cl 57315654 JEHGNUOGAQUGTK-UHFFFAOYSA-N 415.658 4.822 0 40 HJAB CCOc1ccccc1NC(=O)c1n[nH]nc1Nc1ccc(Oc2ccccc2)cc1 57510715 DYKPQXLXSGMUBQ-UHFFFAOYSA-N 415.453 4.992 0 40 HJAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2cc(F)ccc2Cl)c(=O)c1C 57528281 PLYLASHRELGCNI-UHFFFAOYSA-N 420.271 4.612 0 40 HJAB CCC(=O)c1ccc(OCC(=O)Nc2cccc(NC(=O)N3CCCCCC3)c2)cc1 58196636 RJSJMQXARBCMKZ-UHFFFAOYSA-N 423.513 4.705 0 40 HJAB CCOCCOc1cccc(C(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)c1 67192463 DXMKTZHHSXNSSC-XMMPIXPASA-N 405.494 4.630 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1)C1CCCC1 72330398 PGZHCWHVWAKBRQ-XXBNENTESA-N 413.512 4.620 0 40 HJAB COc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)c1 72349019 JGJNLCFQFMGRHL-JOCHJYFZSA-N 400.522 4.630 0 40 HJAB Cn1ccnc1CN1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72350025 UZQRXIYISKRUKG-SFHVURJKSA-N 414.475 4.804 0 40 HJAB O=C(/C=C/c1cc(Br)ccc1F)N1CCC[C@H]1C[C@@H](O)c1cccs1 79045341 YLHRQPVBJUVBDA-JDMOEDKQSA-N 424.335 4.778 0 40 HJAB O=C(CCCc1ncc(-c2ccccc2)o1)NC1(c2noc(C3CC3)n2)CCCC1 89851245 ZEKLGSJUWWBBAR-UHFFFAOYSA-N 406.486 4.510 0 40 HJAB CCOc1ccccc1OCc1nn2c(-c3oc4ccccc4c3C)nnc2s1 96194347 OTVAVEIPGSWJNF-UHFFFAOYSA-N 406.467 4.885 0 40 HJAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1Cl 98211323 ZNSVHSVNINDMKF-UHFFFAOYSA-N 410.836 4.945 0 40 HJAB Cc1[nH]c2ccc(C(=O)N3[C@H]4CC[C@H]3CC(O)(Cc3ccc(F)cc3F)C4)cc2c1C 101825224 LDURWKLDHVRVLF-PMACEKPBSA-N 424.491 4.804 0 40 HJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 219390201 XSVWFQHUNTVZEY-QGZVFWFLSA-N 417.918 4.586 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C(=O)O)cc3)N21 222709044 LZYVFQPTGVJUOK-MAODMQOUSA-N 418.522 4.550 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@@H](CC)C(=O)NC(C)C)cc1 222840909 ZSIPDNIMRSBPIH-DEOSSOPVSA-N 424.585 4.522 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1C1CCCCC1 223082867 XLQRLHSXPPOUEJ-VXKWHMMOSA-N 403.555 4.573 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 224109128 TVWMINMXEDITNS-FQEVSTJZSA-N 424.585 4.552 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224139027 VPMACYWOHNWYRM-QFIPXVFZSA-N 412.961 4.749 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 225423294 ZZFKTDDHICKBKZ-VQTJNVASSA-N 412.599 4.543 0 40 HJAB CC[C@@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(OC)c(C)c1 225831651 OGHYVRCZJDMRJX-QGZVFWFLSA-N 402.343 4.881 0 40 HJAB CC(C)CN1C[C@]2(CNC[C@@H]2c2ccc(F)cc2)N(c2ccc(Cl)cc2)C1=O 257334027 YEFFWMVGGIIPNT-IRLDBZIGSA-N 401.913 4.503 0 40 HJAB CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2c(C)cc(C)cc2C)cc1 409090095 QLVGOGPHLBXWAH-UHFFFAOYSA-N 410.543 4.630 0 40 HJAB CN1CCC(N2CCCC(C)(C)COc3ccccc3Oc3ncccc3C2)CC1 643566299 CAKYHWCYSSFPQV-UHFFFAOYSA-N 409.574 4.969 0 40 HJAB Cc1c(C(=O)N2CCC3(CC2)CN(c2ccccc2)c2ccccc23)nc2ccccn12 2055739078 KFLQYRFAEAFBRC-UHFFFAOYSA-N 422.532 4.968 0 40 HJAB Cc1c(O)ccc2c1O[C@@]1(C[C@H]2c2ccccc2Cl)CC(C)(C)NC(=S)N1 875562 CIODQKZTZULPIE-BTYIYWSLSA-N 402.947 4.611 0 40 HJAB CCOc1ccc(NC(=O)CSc2nc3cc(OC)c(OC)cc3cc2C)cc1 928251 ISUGHNQUNBNGNW-UHFFFAOYSA-N 412.511 4.690 0 40 HJAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1nc2ccccc2s1)OCCO3 928337 RRSXBAXABJMMPV-UHFFFAOYSA-N 423.519 4.655 0 40 HJAB COc1ccc(Oc2coc3cc(OCC(=O)OCCC(C)C)ccc3c2=O)cc1 1770111 NUXARCBXYMZGQK-UHFFFAOYSA-N 412.438 4.562 0 40 HJAB biogenic Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(C)o3)c3cc(Cl)ccc32)cc1 2493141 KFJQZATUGBVILP-QHCPKHFHSA-N 409.869 4.557 0 40 HJAB O=C(C[C@@H]1Nc2cc(Cl)ccc2N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1 2633273 IYMNHKJSOCISRM-FQEVSTJZSA-N 423.875 4.835 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 2641957 JOUIQUTXAFANRW-UHFFFAOYSA-N 403.463 4.730 0 40 HJAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)NCc3ccco3)nc2c1 2660739 LYICTYRUKAUQNE-UHFFFAOYSA-N 404.491 4.912 0 40 HJAB CCc1c(C)sc2ncn3nc([C@@H](C)Cn4nc(C(F)(F)F)cc4C)nc3c12 2790064 HTGTWDOKXXNVDK-VIFPVBQESA-N 408.453 4.537 0 40 HJAB COc1ccc(-c2nc(-c3ccc(Br)cc3)c(CC(=O)O)s2)cc1 2955988 PBPUOQZGEOIADY-UHFFFAOYSA-N 404.285 4.875 0 40 HJAB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1cc(Cl)cc(Cl)c1 3219363 DYRSDBDMSGVEMK-UHFFFAOYSA-N 406.187 4.737 0 40 HJAB O=C(COC(=O)c1cccc(Br)c1)Nc1ccc(SC(F)F)cc1 3241861 ZRMOQDPEHACZMO-UHFFFAOYSA-N 416.243 4.559 0 40 HJAB Cc1cc(-c2ccccc2)n(Cc2ccccc2)c(=O)c1S(=O)(=O)c1ccccc1 4090569 HGFBODQXMGNAAQ-UHFFFAOYSA-N 415.514 4.705 0 40 HJAB in-vitro C[C@H](NC(=S)NC(=O)c1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 4699568 BNQBKMVBIFMVBS-PGBBXINNSA-N 421.404 4.658 0 40 HJAB CCc1ccc(CNc2nc(NCc3ccc(CC)cc3)n(C(=O)C(C)C)n2)cc1 4703243 FQKMVIULXRXLSZ-UHFFFAOYSA-N 405.546 4.923 0 40 HJAB Cc1cccc2cc(CN(Cc3ccccc3Cl)C(=O)C3CCC3)c3nnnn3c12 4878282 QVZZNQSPDGGFTK-UHFFFAOYSA-N 419.916 4.568 0 40 HJAB Cc1cccc(OCCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1 4910928 NAGKBCQRIAHSKA-LJQANCHMSA-N 405.542 4.928 0 40 HJAB O=C(CSc1ncc(-c2ccccc2)n1C(=O)c1ccco1)Nc1ccccc1 4953249 SAKGQSCIWHKPCM-UHFFFAOYSA-N 403.463 4.562 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccn2)N1CCc1ccccc1 5489930 ZGRIADOTMIYERK-OAQYLSRUSA-N 416.864 4.629 0 40 HJAB Cc1oc2ccc(NS(=O)(=O)c3ccccc3)cc2c1C(=O)Nc1ccccc1 6146532 HOAMHXBWMBYTTE-UHFFFAOYSA-N 406.463 4.794 0 40 HJAB COc1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3)nc2c1 6200119 OJQWQJCGYJAXSX-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB CCOc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OC 6954396 SXRVHLFFAYZZLT-XATRHVNRSA-N 412.511 4.726 0 40 HJAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 7724260 DUSMAGYTRLDIEN-QGZVFWFLSA-N 420.534 4.641 0 40 HJAB Cc1sc2nc(S[C@@H](C)C(=O)N(C(C)C)C(C)C)n(CC(C)C)c(=O)c2c1C 7866247 QUZVWCQNUCZZHZ-INIZCTEOSA-N 423.648 4.857 0 40 HJAB Clc1ccc2nc(CSc3nncn3-c3ccccc3)c(Br)n2c1 9327410 KOYDILCETQTHQR-UHFFFAOYSA-N 420.723 4.623 0 40 HJAB Cc1ccnc(SCc2nc3cc(NC(=O)CCc4ccccc4)ccc3n2C)n1 9421149 VZMKMIRTKQINBL-UHFFFAOYSA-N 417.538 4.535 0 40 HJAB Cc1cnc(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCCCC2)cn1 9738915 CVODEUYCFAZEPG-UHFFFAOYSA-N 420.538 4.700 0 40 HJAB Nc1nc2n(n1)[C@@H](c1cccc3ccccc13)C[C@@H](c1ccc(Br)cc1)N2 9833527 YMMNVLNFTFHQPV-RBUKOAKNSA-N 420.314 4.922 0 40 HJAB COc1ccc2nc(-c3ccc(NC(=O)c4ccccc4C(F)(F)F)cc3)cn2n1 11693489 CWAQSKUAAGZKNC-UHFFFAOYSA-N 412.371 4.676 0 40 HJAB Cc1c(C(=O)NC2CCCC2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 12274479 UPSTWWIYSMAETG-UHFFFAOYSA-N 421.888 4.710 0 40 HJAB CC1(C)C[C@H](NCc2cc3cc4c(cc3nc2OCc2cccnc2)CCC4)CCO1 12455250 CQQNMXXMJGWIQZ-HSZRJFAPSA-N 417.553 4.745 0 40 HJAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CSCc1csc(-c2ccccc2)n1 13014873 BJDBFKYKHRJILW-UHFFFAOYSA-N 423.563 4.807 0 40 HJAB CN1C[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(Cl)cc12 13591077 ASQFCOLZFPITDH-RZTXVSJASA-N 416.908 4.716 0 40 HJAB COc1ccc(-c2nc(CSc3nnnn3C3CCCCC3)cs2)cc1OC 14676338 SQOLTUFPLJSNRT-UHFFFAOYSA-N 417.560 4.611 0 40 HJAB Cc1cc(NC(=O)c2ccc(Br)s2)n(-c2nc3ccccc3s2)n1 16851000 WGHFUOVQXXUYQY-UHFFFAOYSA-N 419.329 4.867 0 40 HJAB Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(C)ncc2-c2onc(C)c2C)cc1 19209671 WZLOXUNYVLLIHI-OAQYLSRUSA-N 404.514 4.662 0 40 HJAB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccc(CC)cc2)n2c1nc1ccccc12 20638331 AOPMPPGJEYOLEU-VXKWHMMOSA-N 419.525 4.514 0 40 HJAB Cc1nc(C2(NC(=O)c3c(C)oc4c(F)c(F)c(F)c(F)c34)CCCCC2)no1 23508253 QVTQSIOEWFERCC-UHFFFAOYSA-N 411.355 4.578 0 40 HJAB COc1ccccc1CN(Cc1cccs1)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 24219136 IQQUWXNCAWJKDB-NRFANRHFSA-N 413.926 4.943 0 40 HJAB Oc1nc(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@H]2c1ccccc1F 27825111 LZWGFHDBBNFLBM-OAQYLSRUSA-O 417.489 4.541 0 40 HJAB C[C@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nc(-c2ccco2)no1 29740026 SQDFWHUXTKRPKP-HNNXBMFYSA-N 422.514 4.754 0 40 HJAB COc1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1Cl 32578608 CVVFJLHKKVNCNU-UHFFFAOYSA-N 401.850 4.540 0 40 HJAB O=C(COc1ncnc2sc3c(c12)CCCCC3)Nc1ccccc1OC(F)F 32638436 PVOOSSWJXSBIFM-UHFFFAOYSA-N 419.453 4.579 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccccc2-c2nc(-c3ccc(C)cc3)no2)c1 33012667 GYTQTPSIIYPFCF-UHFFFAOYSA-N 415.449 4.982 0 40 HJAB O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CNc1cccc(C(F)(F)F)c1 33286112 NDAATZPHTBYKOY-FRKPEAEDSA-N 422.384 4.540 0 40 HJAB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 35648735 MPKRQKMZUJJWBH-KQWQSBQESA-N 404.340 4.694 0 40 HJAB CCc1nc2sc([C@H](c3ccc(C(F)(F)F)cc3)N3CCC[C@H](C)C3)c(O)n2n1 36370434 FBNLDIQREBTOAP-LRDDRELGSA-N 424.492 4.899 0 40 HJAB Cc1ccc([C@@](O)(CCNC(=O)N[C@@H](C)c2cc3ccccc3o2)C(F)(F)F)o1 36744403 LVHNYGCQZGVMKX-DJJJIMSYSA-N 410.392 4.535 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)cc1C 57426082 JQXJKAGZRWCTLE-UHFFFAOYSA-N 415.584 4.852 0 40 HJAB Cc1ccc(-c2ccncc2)cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 58248201 ZSIAXNDFQYVHOM-UHFFFAOYSA-N 415.474 4.577 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C(C)(C)Oc1ccc(Cl)cc1 69713512 LYBSTOSVBKLRIL-UHFFFAOYSA-N 411.933 4.959 0 40 HJAB Cc1ccc([C@@H]2C[C@H](c3cc(Cl)ccc3C(=O)C(F)F)n3ncnc3N2)cc1 72333467 ARQBPDXEKBWBDI-DLBZAZTESA-N 402.832 4.834 0 40 HJAB COc1cccc([C@H](C)Sc2nnc(CN3CCCC3)n2Cc2ccccc2)c1 79001623 BWQRUZYHOHNCEA-SFHVURJKSA-N 408.571 4.784 0 40 HJAB O=C(Nc1ccc(F)cc1)c1nnc(COc2ccc(Cl)c3cccnc23)s1 95948778 PUHACEPFVHCZAP-UHFFFAOYSA-N 414.849 4.710 0 40 HJAB COCc1nc(NC[C@H](O)c2ccc(F)cc2)c2c(-c3ccccc3)csc2n1 95957736 GOKREZOYALXMLA-SFHVURJKSA-N 409.486 4.789 0 40 HJAB Cn1cc(CCC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c2ccccc21 96008119 PVGSJFWJTJQDSB-OAQYLSRUSA-N 416.443 4.730 0 40 HJAB O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1nc2ccccc2s1 96119685 DNWNYHZVIFQSAH-UHFFFAOYSA-N 402.435 4.782 0 40 HJAB O=C(NC1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1)c1cc2ccccc2[nH]1 98212629 JQWHOSLNCHKZSB-UHFFFAOYSA-N 419.916 4.610 0 40 HJAB COc1ccccc1C1(O)C[C@@H]2CC[C@@H](C1)N2Cc1c(C(C)C)[nH]c2ncccc12 100736606 QTZNSODDRJGBOH-ROUUACIJSA-N 405.542 4.710 0 40 HJAB CCCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 222926440 JHAKCCJTJBDRQJ-QGZVFWFLSA-N 418.940 4.745 0 40 HJAB C[C@@H](NS(=O)(=O)Cc1cccc(Br)c1)c1ccc2c(c1)CCCC2 222997438 ZPTHRKHEAJYJJV-CQSZACIVSA-N 408.361 4.509 0 40 HJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 223133377 DOISAIBROOLCJY-SFHVURJKSA-N 406.526 4.598 0 40 HJAB CC(C)CNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223424269 IFSIFDWZGRVSIL-UHFFFAOYSA-N 424.950 4.774 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 224094827 BZTJKYZJNNIACA-HXUWFJFHSA-N 418.990 4.517 0 40 HJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225060043 UHJWUMJZYLLMNS-NRFANRHFSA-N 422.613 4.903 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 225207491 XLSRDFUCIZHTPH-HZPDHXFCSA-N 421.368 4.868 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccccc1 225493571 GHUUXJFUNNVLJG-DENIHFKCSA-N 412.599 4.809 0 40 HJAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1cc2ccccc2s1 225620036 NJGIBYVIEBPAEH-QGZVFWFLSA-N 406.507 4.931 0 40 HJAB FC(F)(F)c1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)cc1 225833243 DRHLOMNGFKFGRA-UHFFFAOYSA-N 412.824 4.895 0 40 HJAB O=C(O)c1ccc(/N=C2/S[C@H](Cc3ccccc3)C(=O)N2[C@H]2C[C@H]3CC[C@H]2C3)cc1 245227532 IQRZUYROAKIOPI-SALZDWAJSA-N 420.534 4.748 0 40 HJAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C2CC2)CC1 257270198 MTDFOIDWVMDFQT-UHFFFAOYSA-N 422.544 4.579 0 40 HJAB CSc1nc(N2CCCC2)c2cc(C(=O)NC3CCCCCCC3)sc2n1 408620300 LRDAOTLWBZKCTE-UHFFFAOYSA-N 404.605 4.856 0 40 HJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 408678956 GMGJIUYAHNBZAJ-GOSISDBHSA-N 424.522 4.510 0 40 HJAB O=C1N/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccccc1F 409069609 LXYPKFKJLXTNHY-FYJGNVAPSA-N 420.415 4.637 0 40 HJAB O=C(C[C@H](c1cccc2ccccc12)n1cccc1)N1CC[C@]2(O)CCCC[C@H]2C1 575443367 QOWFWBDEKGRBJK-BBVWWWHTSA-N 402.538 4.774 0 40 HJAB COc1cccc([C@@H](CNC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)OC)c1 1202757572 LTIMJNMIJWPECK-HSZRJFAPSA-N 416.481 4.543 0 40 HJAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1 835303 WCUZWXSPMYVMJS-UHFFFAOYSA-N 414.914 4.559 0 40 HJAB COC(=O)c1c(NC(=O)C2CCCCC2)sc(C(=O)Nc2ccccc2F)c1C 871556 GKMCLSXACVEHIW-UHFFFAOYSA-N 418.490 4.753 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)n2C)cc1 976255 WDXQCHATQHOLLS-UHFFFAOYSA-N 418.522 4.587 0 40 HJAB CCOC(=O)c1nnc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccc(OC)cc1 1392136 LACMJGOQXHNACU-UHFFFAOYSA-N 419.359 4.535 0 40 HJAB COc1ccccc1NC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 2137216 ZASPUBDBWNESTO-UHFFFAOYSA-N 413.326 4.674 0 40 HJAB aggregator COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)c1 2344473 DCSHAUIEBZXYGO-QHCPKHFHSA-N 411.457 4.590 0 40 HJAB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(C)C)cc1 2402856 OGRQZCFABZSUAB-QHCPKHFHSA-N 418.537 4.803 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(c1cc(C)on1)C3=O 2703589 FEYQOIJNTLWXBR-IBGZPJMESA-N 406.825 4.801 0 40 HJAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1 3224926 CACBRWZVVUMKPN-DTQAZKPQSA-N 405.881 4.802 0 40 HJAB COc1ccc(NC(=O)c2c(NC(=O)c3ccc(F)cc3)sc3c2CCC3)cc1 3238244 CBCVRQGTGVLZDU-UHFFFAOYSA-N 410.470 4.889 0 40 HJAB CN(C)CCCN(C(=O)c1ccc(N(C)C)cc1)c1nc2ccc(Cl)cc2s1 4272545 PCLWOBSRHHWYJP-UHFFFAOYSA-N 416.978 4.614 0 40 HJAB COc1ccccc1OCCn1c(NC(=O)c2ccccc2F)nc2ccccc21 4386072 WIQPSNQZKKIDLG-UHFFFAOYSA-N 405.429 4.515 0 40 HJAB COc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 4649728 LSIKHBVYABULRQ-UHFFFAOYSA-N 403.507 4.824 0 40 HJAB CCCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(OC)cc1 4816703 JWDFMWRRUKCZLV-PMACEKPBSA-N 410.905 4.808 0 40 HJAB CC(C)Cc1nc2ccccc2c(=O)n1NC(=O)c1sc2ccccc2c1Cl 4891143 WJHSNMFKBYQRQK-UHFFFAOYSA-N 411.914 4.847 0 40 HJAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc2ccccc2c1 4903364 VCCJQDBJLJMJFS-UHFFFAOYSA-N 420.509 4.726 0 40 HJAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc3ccccc23)no1 5244830 JHAWVUDXBZUHPY-QFIPXVFZSA-N 408.413 4.992 0 40 HJAB CC1(C)O[C@](C)(CN2CCCC2)CC[C@H]1NC(=O)C(c1ccccc1)c1ccccc1 5432554 PJBOSXAOCVTWGX-KCWPFWIISA-N 420.597 4.747 0 40 HJAB O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc12)NCc1ccccc1 6365052 QHFKGDXZINMLTH-UHFFFAOYSA-N 409.511 4.906 0 40 HJAB CSCC[C@@H](NC(=O)COc1ccc2ccccc2c1)c1nc2ccccc2[nH]1 6506211 KGEMTJZFHFSFCB-OAQYLSRUSA-N 405.523 4.706 0 40 HJAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2nc3ccccc3s2)C1=O 6790447 HUFPYNGKSSULMI-SFHVURJKSA-N 406.294 4.570 0 40 HJAB CCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OCC)c(OCC)c1 6811496 UAEPRNSFLHVZOB-UHFFFAOYSA-N 411.458 4.575 0 40 HJAB CCn1c(SCc2nnc(-c3cc4c(s3)CCCC4)o2)nnc1-c1ccco1 6880885 YWEDTARKXQQDCJ-UHFFFAOYSA-N 413.528 4.841 0 40 HJAB Cc1ccc2nc(COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(=O)n2c1 7984233 LRMYOSJZCMSZAC-UHFFFAOYSA-N 402.294 4.620 0 40 HJAB O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 7988476 KBEVOVCZMRJIBN-NRJHKNTJSA-N 419.930 4.639 0 40 HJAB C[C@@H](Sc1nnnn1Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 8329069 KNEKNMZAZWURHI-QGZVFWFLSA-N 415.522 4.508 0 40 HJAB COc1ccc(C(=O)C[C@H](c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 8475341 NGVSACUSGNHBQS-HSZRJFAPSA-N 412.482 4.931 0 40 HJAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(OC(C)C)cc1 8590958 HCCQFMGWPPTGQL-UHFFFAOYSA-N 404.445 4.908 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 9517668 GPUZJFOQUNENBZ-UHFFFAOYSA-N 423.929 4.817 0 40 HJAB CCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](c1cccs1)C3 10156942 MOUPAKVCWYSLPI-ZDUSSCGKSA-N 408.914 4.981 0 40 HJAB CN1C(=O)[C@@]2(OCc3ccccc3N2C(=O)Nc2ccc(Cl)cc2)c2ccccc21 10157785 KMHDUJMXBAYDMJ-QHCPKHFHSA-N 419.868 4.738 0 40 HJAB O=C(c1ccc(Br)o1)N1CCN=C1SCc1c(F)cccc1Cl 11757713 YEWMLRWKYOAPDG-UHFFFAOYSA-N 417.687 4.580 0 40 HJAB COc1ccc(S(=O)(=O)c2c(C)c(C)n(CC(C)C)c2NC(=O)C(C)(C)C)cc1 12322133 PZGGFWQPZUPNMV-UHFFFAOYSA-N 420.575 4.587 0 40 HJAB CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccccc1 12414866 YKWSWJOPLRHFNG-UHFFFAOYSA-N 401.509 4.701 0 40 HJAB CC(C)C(=O)N1CCC(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)CC1 12739298 DUSDITBGSJPWEM-UHFFFAOYSA-N 423.538 4.922 0 40 HJAB CC(C)OC(=O)C[C@H](NC(=O)c1ccc(Br)o1)c1ccccc1Cl 12849676 GQLRKSLUMCOHQW-ZDUSSCGKSA-N 414.683 4.508 0 40 HJAB CCN(C(=O)c1ccccc1I)c1nc2ccccc2s1 12911739 DJAGKNZHASKUDB-UHFFFAOYSA-N 408.264 4.568 0 40 HJAB CCOc1ccc([C@H]2CCCN2Cn2nc(-c3ccccc3F)n(C)c2=S)cc1 12990403 QSDSMEFWVLWQIG-HXUWFJFHSA-N 412.534 4.950 0 40 HJAB CCOc1c(Cl)cc(C(=O)NCc2ccccc2CN(CC)CC)cc1OC 13010372 NSLPICLRUIYMSI-UHFFFAOYSA-N 404.938 4.519 0 40 HJAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(c2ccccc2Cl)CC1 13071427 CWXHMKIYANVBQU-ZDUSSCGKSA-N 412.748 4.796 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C)c3C)n2CC)cc1 13842241 OPEQTHCEBQSVRS-UHFFFAOYSA-N 424.570 4.787 0 40 HJAB Cc1c(Cl)cccc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 13882210 WLQXDTFHUSSCJW-LWYUSKRHSA-N 405.329 4.828 0 40 HJAB Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)oc2c1ccc1ccccc12 14198454 JQHWLMBOBVQIMQ-FQEVSTJZSA-N 420.534 4.759 0 40 HJAB COc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)n2)cc1 14350431 ODXABTHCXYRPSD-UHFFFAOYSA-N 411.461 4.888 0 40 HJAB Cc1cc(Br)c(NC(=O)Cn2cnc3ccccc32)c(Br)c1 14737578 INQRRLQSOICCOX-UHFFFAOYSA-N 423.108 4.508 0 40 HJAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc3ccccc3c2)c(F)c1F 17087864 LCHRBNGGURYKDA-UHFFFAOYSA-N 408.376 4.532 0 40 HJAB O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(Cl)c1 17092837 CMSLYBQYCJEAHK-UHFFFAOYSA-N 421.909 4.953 0 40 HJAB COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(-c4ccc(F)cc4)o1)N(C)CC3)OCO2 20281651 NXTZENRKQHCIIQ-QGZVFWFLSA-N 423.440 4.625 0 40 HJAB biogenic COc1ccc(C2=NC3(CCN(C(=O)Nc4ccc(C)cc4)CC3)N=C2SC)cc1 20578389 LXEMOHFKYKJIIO-UHFFFAOYSA-N 422.554 4.592 0 40 HJAB CCCC(=O)Nc1ccc(OCC(=O)Nc2ccccc2C(C)(C)C)c(C(C)=O)c1 21333986 FXZSAOGJRNRRQQ-UHFFFAOYSA-N 410.514 4.943 0 40 HJAB Cc1ccc(OC[C@H](O)CN2CCN(c3cccc(Cl)c3)CC2)c(C(C)(C)C)c1 23211928 VNJRANIIDWNLMC-OAQYLSRUSA-N 416.993 4.508 0 40 HJAB CCCN(CCC)Cn1nc2n(-c3ccccc3C)c(=O)c3ccccc3n2c1=S 24974295 PSLBYUOFBOMYBD-UHFFFAOYSA-N 421.570 4.557 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(Cc2ccccc2F)c1 28303621 GSHBOSOFCQDDGN-GFCCVEGCSA-N 408.260 4.783 0 40 HJAB C[C@H](Cc1nnc(SCC(=O)N[C@H]2CCCc3ccccc32)o1)c1ccccc1 32957349 LYNTZLZLYNNSRN-UZLBHIALSA-N 407.539 4.702 0 40 HJAB COc1ccc(NC(=O)CSCc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1Cl 33064117 HEPSOQVCCFWMEJ-UHFFFAOYSA-N 416.930 4.679 0 40 HJAB CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(C)c(C)c2)C1 44803755 IJHINAGCQYKTOS-IBGZPJMESA-N 418.541 4.891 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1OCC 44900260 DVTCRGIAKZMHBH-OXJNMPFZSA-N 401.503 4.527 0 40 HJAB CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1C 44911667 QJAWJSMZXKESKT-UHFFFAOYSA-N 414.933 4.676 0 40 HJAB COc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 61367775 BFIGRMAPNNKZJX-UHFFFAOYSA-N 410.495 4.737 0 40 HJAB CCN1c2ccc(C(=O)NCCC3=CCCCC3)cc2-c2ccccc2S1(=O)=O 65315067 KEHPZQVKGGCUFM-UHFFFAOYSA-N 410.539 4.503 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc4ccccc4n3)CCCC2)c1 65587621 PRCHJJGFBHZSAG-UHFFFAOYSA-N 408.523 4.577 0 40 HJAB COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3ccc(C(C)C)cc3)oc12 67293750 DHCABTKMNABJGB-PCCZYRSZSA-N 420.509 4.706 0 40 HJAB COc1ccc(OC)c(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)c1 67296705 IJRKTQGIUQTKFC-LCUIJRPUSA-N 415.449 4.638 0 40 HJAB CC(C)n1cnc2c(-c3ccccc3)nc(C3CCN(C(=O)c4ccno4)CC3)cc21 96155635 UQBPYCTVFYQDEV-UHFFFAOYSA-N 415.497 4.687 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C 222484108 NCBLSPUJSRCADX-RDPSFJRHSA-N 424.585 4.577 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCSc1ccc(Cl)cc1 222485564 DNQYCVCPYHSQFE-QGZVFWFLSA-N 418.990 4.684 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)(C)C 222710962 APCORYHLSFYKOO-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 223226782 YFANQNRIJKYCCR-FQEVSTJZSA-N 423.538 4.889 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)CSCc3ccc(Cl)cc3F)n2)c1 223356236 AKZIYLHKGPMVHL-UHFFFAOYSA-N 419.909 4.729 0 40 HJAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(=O)(=O)c1ccc(Cl)cc1 223580178 KJAQUFFMYPMBSS-UHFFFAOYSA-N 419.934 4.508 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(C)cc1 223925092 LNOUDTPSGNZUKM-QFIPXVFZSA-N 408.523 4.677 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1cc(C)cc(C)c1 224195415 ZAKLTEYDYJAPDP-UHFFFAOYSA-N 419.477 4.915 0 40 HJAB CCOc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)n2)cc1 224818421 GCWFNUQXASAECD-QGZVFWFLSA-N 423.513 4.651 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 225512144 RRWCUDYRCZZSDG-URXFXBBRSA-N 424.585 4.876 0 40 HJAB CN(C)C(=O)c1ccc(NC(=S)NCCCSCc2ccccc2Cl)cc1 225608126 GAVHAXWDJHHPGN-UHFFFAOYSA-N 422.019 4.652 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)cc1 225668895 GIBHVJFDVQIZAS-LJQANCHMSA-N 414.977 4.771 0 40 HJAB CCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)cc1C(=O)OCC 225856588 LFDQNWMWYJEGDS-UHFFFAOYSA-N 405.535 4.966 0 40 HJAB O=C(c1ccccc1Cn1ccnc1)N1CCC[C@H](Cc2cnc3ccccc3c2)CC1 257199694 AANCVYFKBRURPW-NRFANRHFSA-N 424.548 4.965 0 40 HJAB COCCCNC(=O)CCc1ccc2c(c1)C[C@@](C)(Cc1ccc(C(C)C)cc1)O2 257281317 OOPQBHPDJTVMLB-AREMUKBSSA-N 409.570 4.832 0 40 HJAB Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)C3CCC3)CC2)c1 257318726 VPDDWXKBPKRSRM-UHFFFAOYSA-N 418.581 4.702 0 40 HJAB O=C(O)c1cccc(CN2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)c1 257342789 ZQEBGCCSHPDFNC-IBGZPJMESA-N 410.901 4.997 0 40 HJAB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(COc3cccc(C)c3)cc2)cc1 409177601 AVHCDRHCQSKSDG-UHFFFAOYSA-N 418.445 4.539 0 40 HJAB O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1cccc(Cl)c1 409194833 CPYRPAUMSNGVDI-UHFFFAOYSA-N 420.962 4.522 0 40 HJAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)c1 409374640 VOQQWVKKVGAHLQ-UNOMPAQXSA-N 424.522 4.686 0 40 HJAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CCCN(C(=O)/C=C/c3ccco3)C2)n1 585292011 IDFLLJCMDFZBRI-SGQUHAKNSA-N 417.513 4.553 0 40 HJAB O=C(O)COc1ccccc1CN1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 1848353345 WRRTYDNZTKELCE-NRFANRHFSA-N 424.472 4.595 0 40 HJAB COc1cc(/C=C/C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1 956956 USBSDYBBEXMRCB-OQLLNIDSSA-N 416.477 4.885 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)N2N=C3CCCCC[C@H]3[C@@]2(O)C(F)(F)F)c1 1101567 JFOGMNFBZIQMFT-OXQOHEQNSA-N 412.452 4.527 0 40 HJAB O=C(Cn1c(C(=O)N2CCc3ccccc3C2)cc2sccc21)c1ccccc1 1324408 BSXUYILVDFXZLF-UHFFFAOYSA-N 400.503 4.784 0 40 HJAB aggregator Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(c1nncs1)C3=O 2426677 MSLYWRIGYGFOMK-LJQANCHMSA-N 417.490 4.826 0 40 HJAB Cc1cc(C(=O)COC(=O)CCC(=O)c2cccs2)c(C)n1Cc1cccs1 3288158 WGJOKAQNZJPTOQ-UHFFFAOYSA-N 415.536 4.665 0 40 HJAB CCOc1ccccc1Nc1nnc(SCC(=O)c2ccccc2OC)s1 3360923 QDAAZKATLTURJJ-UHFFFAOYSA-N 401.513 4.664 0 40 HJAB COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)cc1)c1ccccc12 3368430 ZFSUHNUUDSHOIB-UHFFFAOYSA-N 409.463 4.790 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(N2CCOCC2)cc1 4902087 KRBDMIXLCBMJHI-UHFFFAOYSA-N 415.852 4.531 0 40 HJAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 6164524 FWIDPYSSYYCBEE-UWJYYQICSA-N 421.493 4.864 0 40 HJAB COc1ccc2c(COc3ccccc3C(=O)Nc3ccccc3)cc(=O)oc2c1 6460997 DFLBWZKQAFOQDT-UHFFFAOYSA-N 401.418 4.633 0 40 HJAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O 6540938 NOZWSPJZGIOPSP-UHFFFAOYSA-N 413.562 4.907 0 40 HJAB CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(C)s1 6728008 DVTQQJZQDFEKQV-IBGZPJMESA-N 412.540 4.855 0 40 HJAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccccc1Sc1ccccc1 7297305 PHOAIWNQVIRAIW-OAHLLOKOSA-N 406.536 5.000 0 40 HJAB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 7375768 MOLPCPSEIVGGII-KPKJPENVSA-N 406.438 4.916 0 40 HJAB CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 7814764 ONYORJZGRXKDBH-LJQANCHMSA-N 402.479 4.891 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)CCCn2c(=O)oc3ccccc32)cc1 8128613 PZPSGADNSKHVPN-FQEVSTJZSA-N 408.498 4.527 0 40 HJAB Cc1ccc(C)c(-c2nn(CC(=O)N3c4ccccc4C[C@@H]3C)c(=O)c3ccccc23)c1 8242462 CWZVLCQJTCZPQL-IBGZPJMESA-N 423.516 4.658 0 40 HJAB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3sccc3C)SC2=S)c(Cl)c1 8369829 XBDPTPRDGVQBRJ-RIYZIHGNSA-N 408.957 4.565 0 40 HJAB O=C(CSc1ncnc2sccc12)N1c2ccccc2OC[C@@H]1c1ccccc1 9253754 HCTSOGYOXKHXRH-GOSISDBHSA-N 419.531 4.950 0 40 HJAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)cc1 9983333 HHNOUGNAOYVTQN-BJMVGYQFSA-N 417.427 4.849 0 40 HJAB COc1cc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc(OC)c1OC 10120226 LEUCRDZFGADJIF-UHFFFAOYSA-N 410.451 4.834 0 40 HJAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1OC(F)F 10662271 FDYIEKYWNCDQKE-UHFFFAOYSA-N 410.424 4.672 0 40 HJAB CNC(=O)c1c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)sc2c1CCCC2 11915950 QPWQLJWZOCZPRJ-UHFFFAOYSA-N 415.902 4.547 0 40 HJAB Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCC[C@@H]2C)cc1 12062336 BMONRRHHTFFMPQ-IBGZPJMESA-N 423.582 4.917 0 40 HJAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2)n2nc(-c3ccccc3)nc2N1 12584414 VDGWQAFUGPTCHX-QHCPKHFHSA-N 422.488 4.977 0 40 HJAB C[C@@H]1CCc2ccccc2N1C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 12991065 BVQWFCASCIRKEF-LJQANCHMSA-N 408.505 4.975 0 40 HJAB CC1(C)CN=C(SCc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)NC1 13042282 FVWXQZOJUPCYTN-UHFFFAOYSA-N 418.975 4.524 0 40 HJAB COc1ccc(-c2nn(CN(C)Cc3ccc(Cl)cc3)c(=S)o2)cc1OC 13071916 OMBATFFOZGMJPE-UHFFFAOYSA-N 405.907 4.633 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1cccnc1)N(C(=O)c1cccs1)c1ccc(F)cc1 13561436 OIBWQDIZFVGPQX-OAQYLSRUSA-N 423.513 4.729 0 40 HJAB Cc1c(Cl)cccc1NC(=O)[C@@H](Sc1ncnc2[nH]cnc12)c1ccccc1 13578855 XDDGPPCKTIQMTN-KRWDZBQOSA-N 409.902 4.787 0 40 HJAB Cc1cc(C(=O)COC(=O)c2cnc(Cl)c(Cl)c2)c(C)n1Cc1cccs1 14360664 AKFHHDRNEMPMAH-UHFFFAOYSA-N 423.321 4.956 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3cccc(Br)c3)n2)cc1OC 17091757 HFSMLLWESYKJMV-UHFFFAOYSA-N 419.300 4.842 0 40 HJAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1cccc(Br)c1 17092074 ONZHSFVJKURMEP-UHFFFAOYSA-N 420.115 4.588 0 40 HJAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1sc(Cc2ccccc2)nc1C)CC3 19560773 SYQYRULMUFYZQH-UHFFFAOYSA-N 417.534 4.731 0 40 HJAB CC(C)c1ccc(OCc2cc([C@H]3CCN(Cc4cccnc4N(C)C)C3)n[nH]2)cc1 19704270 WDBHFFVNRRPQNS-FQEVSTJZSA-N 419.573 4.563 0 40 HJAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 20107322 SEWFDVFPEWKJID-UHFFFAOYSA-N 413.521 4.640 0 40 HJAB CC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 22843525 QRWVJRAOOJLZNK-UHFFFAOYSA-N 401.315 4.779 0 40 HJAB CCOc1ccc(N2C3=[N+](CCCCC3)[C@](O)(c3ccc(OCC)cc3)[C@@H]2C)cc1 27028242 GEKBWPZLZZOYJF-UQBPGWFLSA-N 409.550 4.523 0 40 HJAB COc1ccc(C(=O)Nc2nc(C)c(-c3nc(-c4ccc(F)cc4)no3)s2)cc1 31815802 ZQQKPLWIALKNOW-UHFFFAOYSA-N 410.430 4.569 0 40 HJAB CCN1CCc2nc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)sc2C1 32969110 HMQWICNZEUDVTF-HXUWFJFHSA-N 409.580 4.993 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)ccc1C(C)C 48332327 IEPTUKGOJBDBEV-HTAPYJJXSA-N 409.505 4.664 0 40 HJAB CC(=O)c1cc(CCC(=O)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)oc1C 58055549 AXSCIXPJXOEQPE-QZTJIDSGSA-N 410.558 4.518 0 40 HJAB CC(C)OCCCn1c(SCc2ccc(F)cc2F)nc2ccccc2c1=O 67259144 HPHUOUVJKOCEEE-UHFFFAOYSA-N 404.482 4.782 0 40 HJAB COc1ccccc1CN1CCC[C@@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 72330445 ABLIGMZVMXTMTD-GJZUVCINSA-N 421.585 4.740 0 40 HJAB O=C(CCc1ccccc1)N1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 72371270 LODXELMGXNOCLQ-LJQANCHMSA-N 423.944 4.633 0 40 HJAB O=C(CCOc1ccccc1)N1CCC[C@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 72380409 BNVROFNOTAHDHZ-SFHVURJKSA-N 409.917 4.905 0 40 HJAB CCn1cc(-c2cc(C(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c3ccccc3n2)c(C)n1 101596802 APRSLILKLAXMSM-MMTROXRISA-N 402.542 4.981 0 40 HJAB CCn1cc(Br)c(CN(C)C(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)n1 102632783 NKPHXIGQEKHROG-YVVLLZSASA-N 408.384 4.621 0 40 HJAB Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3ccccc3C)cc2)S(C)(=O)=O)c1 113965148 IBJWHCIYCFLXLO-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 223101742 KKYKBIOEOLNTKV-DEOSSOPVSA-N 402.538 4.634 0 40 HJAB COc1ccc2cc(S(=O)(=O)NCCOc3ccccc3C(C)(C)C)ccc2c1 223738056 RRCMSNSQRZJNBM-UHFFFAOYSA-N 413.539 4.503 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccc(C)cc3C)c2)c1 223950124 RDBSTVRDMSBGGH-LJQANCHMSA-N 422.550 4.904 0 40 HJAB CCCCOCc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1OCC 224732851 GZEQAKQIXANKCX-UHFFFAOYSA-N 424.585 4.981 0 40 HJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225059996 UHJWUMJZYLLMNS-OAQYLSRUSA-N 422.613 4.903 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 225253472 PSVUVKHNBFAZSL-JOCHJYFZSA-N 414.977 4.833 0 40 HJAB CCOC(=O)c1cc(NC(=S)NCCSCc2ccccc2)ccc1Cl 225291074 WRXBSPUKUQNJSX-UHFFFAOYSA-N 408.976 4.737 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 225536259 NRTRSBQYOQEMDR-QGZVFWFLSA-N 418.990 4.764 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 225589132 KDIMIEQNOWZDEN-XMSQKQJNSA-N 414.977 4.995 0 40 HJAB COC1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCC(C)CC1 225640542 RSVIQMZCZKDQAI-NCMKUFGYSA-N 402.579 4.577 0 40 HJAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CN(C(=O)C(C)C)CCO2)n1 257332245 XWKDVTFUXOMNBJ-FQEVSTJZSA-N 406.448 4.556 0 40 HJAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc(Cl)c1O 260762812 HKZAHQXWKJGSJG-MORSLUCNSA-N 403.935 4.819 0 40 HJAB COc1c(F)c(F)c(C(=O)Nc2cccc(Cl)c2N2CCCC2)c(F)c1F 408623255 SDXYOUBCUJNNBV-UHFFFAOYSA-N 402.775 4.758 0 40 HJAB COc1ccc(OC)c(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c1 408632326 DJYVGQWDTZOQPL-YBEGLDIGSA-N 418.858 4.625 0 40 HJAB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCCCCC1 408738816 VUAMPUMMMQFDAN-XMMPIXPASA-N 406.570 4.798 0 40 HJAB CC(C)CSc1nc2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2s1 408750995 VDGGLGPGJMIWLZ-NQERCMRGSA-N 402.541 4.506 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 408998438 LWTYOLMCYQKTJT-FQEVSTJZSA-N 423.513 4.559 0 40 HJAB CCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1 409077505 FBPOBZUUKIBZBT-QNGOZBTKSA-N 420.509 4.890 0 40 HJAB CCc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)cc1 409177856 JRSKZWOZIHYCSC-UHFFFAOYSA-N 411.841 4.770 0 40 HJAB CCCc1c(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cnn1Cc1ccccc1 535421832 SCZYNXUEFBOFCA-UHFFFAOYSA-N 409.440 4.950 0 40 HJAB Cc1cc(NC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 539300859 IWBZFNNGDHXZJK-IDPBPBMLSA-N 410.518 4.754 0 40 HJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1cccc(Br)c1 575610465 NKIYLSXSLVHJMQ-SFHVURJKSA-N 402.313 4.641 0 40 HJAB CCCCc1ccc(NC(=O)Cc2noc(-c3cccc(-c4nnc(C)o4)c3)n2)cc1 580061610 HKUAMNMPDVYUPU-UHFFFAOYSA-N 417.469 4.619 0 40 HJAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1C 788081 DOYSYUDYFVPBEY-QHCPKHFHSA-N 402.494 4.780 0 40 HJAB CCOC(=O)C1=NN(c2ccccc2)C2=NC(c3ccccc3)=C[C@@H](c3ccccc3)N12 2181138 NTWFVQZNLZLPFS-QHCPKHFHSA-N 422.488 4.837 0 40 HJAB COCCOC(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 2208149 FDYZFQFWPSXZRS-UHFFFAOYSA-N 415.298 4.855 0 40 HJAB COc1ccc([C@H]2Nc3cc(OC)c(OC)cc3C(=O)N2c2ccc(C)cc2)cc1 2292012 QFAGWYDVVVIYHT-QHCPKHFHSA-N 404.466 4.792 0 40 HJAB O=C(/C=C/c1nc2ccccc2s1)OCCOc1cccc(Br)c1 2621837 NCKAQSRZNUBDLG-CMDGGOBGSA-N 404.285 4.694 0 40 HJAB COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)c1 2703664 RSYRVCLUCRXFIO-JOCHJYFZSA-N 412.445 4.563 0 40 HJAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(NCC(OC)OC)ncnc32)cc1 2974787 NKSCSPWNELEALM-UHFFFAOYSA-N 418.497 4.517 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 3261483 CBDFZORXCXZYLV-UHFFFAOYSA-N 404.492 4.550 0 40 HJAB COC(=O)c1cc(CSc2nnc(-c3ccncc3)n2-c2ccccc2C)oc1C 3284599 DYLGOOMAPUBYAL-UHFFFAOYSA-N 420.494 4.618 0 40 HJAB COc1ccc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)cc1Cl 3337513 VBGLRYZKFDAHKQ-UHFFFAOYSA-N 412.660 4.616 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCc1nnc(-c2ccccc2)o1 3523173 LAMHWIZQUPEOTJ-UHFFFAOYSA-N 422.872 4.609 0 40 HJAB CCOC(=O)c1c(NC(=O)C(C)(C)C)sc(Cc2ccc3c(c2)OCO3)c1C 4087305 AZEXTLNCHUJKEE-UHFFFAOYSA-N 403.500 4.537 0 40 HJAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O 4658903 BXXUCLZEMPWIQW-CXUHLZMHSA-N 405.859 4.588 0 40 HJAB O=C(Nc1cccs1)N1CCn2cccc2[C@H]1c1ccc(Br)cc1 4854389 OWLKRMVWMCRSBW-QGZVFWFLSA-N 402.317 4.949 0 40 HJAB Cc1cccc(OCCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1 4910932 NAGKBCQRIAHSKA-IBGZPJMESA-N 405.542 4.928 0 40 HJAB COc1ccc(C(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 5794309 QWIZHENXIGIDCJ-UHFFFAOYSA-N 415.898 4.693 0 40 HJAB CC(=O)c1sc(-c2ccc(OCC(=O)Nc3ccc4c(c3)CCC4)cc2)nc1C 7065995 HDQBZBUSGWWLOV-UHFFFAOYSA-N 406.507 4.827 0 40 HJAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 7928246 LNDVKNSUTXOUPL-SFHVURJKSA-N 416.477 4.869 0 40 HJAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(NC(=O)c2cccs2)cc1 7988674 NUUKACIXMKEHGB-UHFFFAOYSA-N 406.492 4.771 0 40 HJAB O=C(NCCc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 8078091 NQTGXGHOTXODBJ-UHFFFAOYSA-N 402.885 4.560 0 40 HJAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CCc2ccccc2C1 8131586 BMTJBOOJMNGIOZ-UHFFFAOYSA-N 423.516 4.806 0 40 HJAB CCCNc1nnc(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)s1 8157113 XOEDQQXGJQZHCJ-UHFFFAOYSA-N 414.516 4.666 0 40 HJAB O=C(Nc1ccc(OCCOc2ccccc2)cc1)c1ccc(Br)o1 8162154 LRMCGXUJHVUYMF-UHFFFAOYSA-N 402.244 4.752 0 40 HJAB CN(Cc1nc2ccccc2s1)C(=O)COc1ccccc1Cc1ccccc1 8244387 LJWCRAJJNIMGFT-UHFFFAOYSA-N 402.519 4.925 0 40 HJAB CSCC[C@H](NCc1c(C)nn(CC(C)C)c1Cl)c1nc2ccccc2[nH]1 8345219 PUWWOQUFXCUDEJ-SFHVURJKSA-N 405.999 4.961 0 40 HJAB CSCC[C@@H](NCc1c(C)nn(CC(C)C)c1Cl)c1nc2ccccc2[nH]1 8345220 PUWWOQUFXCUDEJ-GOSISDBHSA-N 405.999 4.961 0 40 HJAB C[C@H](Sc1nc(C2CCCCC2)n(-c2ccccc2)n1)C(=O)NCc1ccco1 8391322 YYVITZSJEFTAFC-INIZCTEOSA-N 410.543 4.705 0 40 HJAB O=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)Nc1cc(Cl)ccc1F 8919367 MEBJIADWTXTXIH-UHFFFAOYSA-N 417.845 4.896 0 40 HJAB Cc1n[nH]c(S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)O)n1 9358185 CSPCBMRFIAQQRW-LICLKQGHSA-N 401.875 4.563 0 40 HJAB COC(=O)C[C@@H](NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 9389982 JBZJIOMOHMZEHS-SYJIQKIWSA-N 411.807 4.793 0 40 HJAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)cc1 9625319 CVGPGRQDGHUJTJ-UHFFFAOYSA-N 400.891 4.930 0 40 HJAB O=C(/C=C/c1c(Cl)nc2ccccn12)N1CCC[C@H]1c1nc2ccccc2s1 9741500 KXWJMIIJVXRKDT-OFAQMXQXSA-N 408.914 4.974 0 40 HJAB O=C(COc1ccc2ccccc2c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9912543 OTZBNKLFEUKNIT-QFIPXVFZSA-N 403.478 4.744 0 40 HJAB COc1cccc(-c2nc(COC(=O)c3cccc(OC(F)F)c3)cs2)c1OC 11463987 OSFHIJHMFYEWIH-UHFFFAOYSA-N 421.421 4.786 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 12342260 ISIKXBWRYCNZLC-UHFFFAOYSA-N 423.394 4.965 0 40 HJAB O=C(NCc1ccccc1CN1CCCCC1)c1cc(C2CC2)nn1-c1ccccc1 12567939 SSTHQLXFLFFTFV-UHFFFAOYSA-N 414.553 4.666 0 40 HJAB CCOc1ccc([C@@H]2CCCN2Cn2ncn(-c3ccc(OC)cc3)c2=S)cc1 12587395 YPIFGYZYUDGZQY-NRFANRHFSA-N 410.543 4.605 0 40 HJAB Cc1cnc(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)s1 12908247 UXKGBMYQVADKQL-UHFFFAOYSA-N 401.285 4.697 0 40 HJAB COc1ccccc1C(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1Cl 13564773 NTJRPETVSIRPTL-UHFFFAOYSA-N 422.868 4.527 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2Br)cc1C(C)(C)C 16780627 HKHVALGGIRWJOQ-UHFFFAOYSA-N 412.349 4.864 0 40 HJAB CC1=C(C(=O)OC(C)(C)C)C(c2ccc(F)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 19418571 CJHBIQDTICMBGU-UHFFFAOYSA-N 403.494 4.744 0 40 HJAB COc1ccc(CCN2CN=C(c3ccccc3)N(c3ccc(C)cc3)C2)cc1OC 19960640 SMUBVVICKVDFSL-UHFFFAOYSA-N 415.537 4.739 0 40 HJAB COc1cccc(C(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)c1 20274089 QQZYVNVTOZOVOF-HXUWFJFHSA-N 419.868 4.918 0 40 HJAB O=C(Nc1c(F)cccc1F)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20459111 CYGYKUQMLOHHII-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB O=C(NCc1ccco1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20721377 LDLVRNPRGGTMKL-QHCPKHFHSA-N 414.505 4.648 0 40 HJAB O=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)c1ccc(Cl)nc1 20744646 IDYDCKSQECTNRJ-UHFFFAOYSA-N 417.900 4.747 0 40 HJAB O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(-c3ccc4ccccc4c3)c12 22606775 JUFOLWMRZUADTN-UHFFFAOYSA-N 404.473 4.701 0 40 HJAB CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1ccsc1 23957502 PLEPAOMZAGDDKL-LJQANCHMSA-N 418.628 4.556 0 40 HJAB Cc1cc(C)cc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)c1 26563243 SFSLRHZPLYSMJP-JOCHJYFZSA-N 403.482 4.834 0 40 HJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2ccc(Br)cc2)no1 27747213 ZKMJXWZAMBUACI-LLVKDONJSA-N 405.223 4.649 0 40 HJAB Clc1ccc(-c2nc(CSc3nnc(C4CC4)n3Cc3ccco3)no2)cc1 29384262 GJJKRMNGYRGNMO-UHFFFAOYSA-N 413.890 4.793 0 40 HJAB CS(=O)(=O)Nc1cccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)c1 32355517 HZYJWEHFFVHZOM-ISVJADKWSA-N 424.566 4.535 0 40 HJAB CC(=O)c1cnc2sc(C(=O)OCc3cc(Cl)c4c(c3)OCCO4)c(C)c2c1 32814686 ZYWFCTICBQMKDI-UHFFFAOYSA-N 417.870 4.589 0 40 HJAB Cc1noc(C)c1C(=O)Nc1nnc(SCc2ccc(Cl)cc2Cl)s1 35671884 UCQQFVSZYZOYQE-UHFFFAOYSA-N 415.327 4.994 0 40 HJAB Cc1ncc(NC(=O)COc2ccccc2F)n1-c1nc(-c2cccs2)cs1 35682741 JYYVXXDRCWMERX-UHFFFAOYSA-N 414.487 4.522 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1 54260522 KVYAREDTDYLNBY-RUZDIDTESA-N 400.501 4.922 0 40 HJAB COc1cccc(NC(=O)CSc2nc(-c3cc4ccccc4oc3=O)cs2)c1 57523643 SBROZMUIXVLCKR-UHFFFAOYSA-N 424.503 4.656 0 40 HJAB Cc1nc(C)c([C@H](C)NC(=O)Cn2c(C)c(Br)c3ccccc32)s1 58406640 CEMCEZQBRMAYSF-NSHDSACASA-N 406.349 4.663 0 40 HJAB Cc1cc(C)nc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)n1 60512648 PORHUSIKRUGHMX-UHFFFAOYSA-N 404.948 4.910 0 40 HJAB O=C(CN(Cc1ccccc1)c1nccs1)Nc1ccc(Br)cc1F 72308675 NOSCHWLZUHLYCX-UHFFFAOYSA-N 420.307 4.690 0 40 HJAB CCc1cc(=O)n2nc(N[C@H]3CCCC[C@H]3c3ccc(C(F)(F)F)cc3)sc2n1 72310222 NRMIPQRDCKHRJQ-HOTGVXAUSA-N 422.476 4.871 0 40 HJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 79188503 DMLVUAPVRARYIC-FUHWJXTLSA-N 403.979 4.766 0 40 HJAB biogenic O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCC(OCc2ccccc2)CC1 84539454 ZTEYGVHVNSQKNH-UHFFFAOYSA-N 402.903 4.878 0 40 HJAB Cn1cc(-c2cccs2)nc1CCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 90606970 JKZLTHBIPDKVQG-UHFFFAOYSA-N 413.974 4.973 0 40 HJAB COc1ccccc1[C@@H]1SCC(O)=Nc2c1c(=O)[nH]n2C1CCCCCCC1 95476623 PHNNAKXQUKHEMU-IBGZPJMESA-N 401.532 4.895 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 97074696 PGSZYHVJTMYWMU-UHFFFAOYSA-N 423.416 4.707 0 40 HJAB CN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)N(C)C1=S 111673495 IMMDVLAVATYIQQ-GRSHGNNSSA-N 413.905 4.512 0 40 HJAB CS(=O)(=O)Nc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1Cl 139703846 PZODPGWIGIKIJO-UHFFFAOYSA-N 416.886 4.756 0 40 HJAB O=C(COc1ccc(Cl)cc1Br)NCCCc1ccccc1Cl 218855137 OUTVBSJUHWADCL-UHFFFAOYSA-N 417.130 4.884 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1c(F)cccc1Cl)[C@H](C)C(=O)NC(C)(C)C 222711442 DNTDVBBEIMPLSO-MRXNPFEDSA-N 418.940 4.662 0 40 HJAB CCCC[C@H](CC)CNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 223462572 SLOGAOCSLAMMRD-FQEVSTJZSA-N 416.587 4.523 0 40 HJAB CCc1cc(S(=O)(=O)Nc2cccc(OCCc3ccccc3)c2)ccc1OC 223688849 VNMGOUUCOQHXGM-UHFFFAOYSA-N 411.523 4.680 0 40 HJAB CCCC[C@@H](CC)CNC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 224049424 HRTACOQMEYMNDB-QGZVFWFLSA-N 417.015 4.527 0 40 HJAB COc1cc(C)c(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C(C)C 224576791 LYIFFFOVRRDFBR-UHFFFAOYSA-N 402.343 4.912 0 40 HJAB CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224624193 PWLHSZJMNYYCND-UHFFFAOYSA-N 424.733 4.879 0 40 HJAB COc1ccc(S(=O)(=O)N(C)c2ccc(OC(C)C)cc2)c(Cl)c1Cl 224630124 WVQZNTXSJGZXMS-UHFFFAOYSA-N 404.315 4.614 0 40 HJAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(OC)cc1 224968561 MNQDDOUNAJLSFI-NCJDQSJGSA-N 420.534 4.795 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 225099496 HVHDVTBYRIABAV-XMMPIXPASA-N 406.570 4.794 0 40 HJAB Cc1ccccc1OCCC(=O)N1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1 257325895 WUXLJTBAUQASGV-HXUWFJFHSA-N 416.525 4.704 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)cc1 408688794 XPDZYEGXLUZBAA-VXKWHMMOSA-N 416.521 4.909 0 40 HJAB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2cccc(C)c2C)c2ccccc2)cc1 408980706 SKYDPDCOGDGNAL-QHCPKHFHSA-N 422.550 4.660 0 40 HJAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 409000046 DNEWAKCPHFYXPJ-NLFFAJNJSA-N 414.549 4.837 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(OC)cc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409341141 CZPGZAIVUHTCOX-AKCHCHLHSA-N 412.452 4.610 0 40 HJAB O=C(c1ccc(F)cc1F)N1CCC(c2nc(-c3ccc4cc[nH]c4c3)no2)CC1 544218841 PQNGQVMWBNJTTO-UHFFFAOYSA-N 408.408 4.516 0 40 HJAB Cc1ccc(Nc2nc([C@@H]3CCCN3CC(=O)N(C)C3CCCCC3)cs2)nc1 1615189150 DWKLZLRZGLMBME-IBGZPJMESA-N 413.591 4.518 0 40 HJAB COc1ccc(NC(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1 1053234 NPNVBMUQGLNKRM-UHFFFAOYSA-N 405.277 4.620 0 40 HJAB Cc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)cc1 1095867 CJLQQHJFIKBSNX-RUZDIDTESA-N 410.473 4.993 0 40 HJAB biogenic COc1cccc(C(=O)Nc2nc(C)c(C(=O)Nc3cccc(Cl)c3)s2)c1 1379000 FOPNOVRIWFTAKO-UHFFFAOYSA-N 401.875 4.618 0 40 HJAB COc1cccc(Oc2coc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)c1 1448156 AGRPREDXOGBFAV-UHFFFAOYSA-N 406.365 4.952 0 40 HJAB biogenic Cc1ccc(-n2c(SCC(=O)c3cc(C)n(C)c3C)nc3ccccc3c2=O)cc1 2622583 YYWUSECOLTZAAL-UHFFFAOYSA-N 417.534 4.624 0 40 HJAB COc1ccc(CN[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1OC 3250282 ZKAJPSHBSAIWRR-DEOSSOPVSA-N 404.510 4.790 0 40 HJAB OC[C@H]1CCCN(c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c23)C1 3434608 AYVQQYDDBWZNFC-SFHVURJKSA-N 422.598 4.553 0 40 HJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4174676 HKHQLIVJCSXRRW-AKCMQFMCSA-N 423.553 4.840 0 40 HJAB CCc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(OC)cc2)c1 4518136 NGDPUYLJQCHDOU-UHFFFAOYSA-N 419.529 4.814 0 40 HJAB Cc1cc(NC(=O)c2ccc3c(c2)OCCO3)cc(-c2nc3ccccc3o2)c1O 4988468 PTFVNSFGSGAFKD-UHFFFAOYSA-N 402.406 4.532 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2Cl)cc1 5249544 QQKRWCQSPPUICO-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB COc1cc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)ccc1OCC(=O)O 5416575 BPERWKHCZSFQRP-NRFANRHFSA-N 402.450 4.514 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)o2)c1 6028766 QALQXPZBDUTASA-ZDUSSCGKSA-N 406.467 4.540 0 40 HJAB Cc1ccc2c(c1)[C@]1(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2 6216553 HGURFNINUQLLNN-URXFXBBRSA-N 415.880 4.997 0 40 HJAB Cc1cc(NC(=S)NC(=O)Cc2ccccc2)cc(-c2nc3ccccc3o2)c1O 6613130 YSMYBSXZQLGTDI-UHFFFAOYSA-N 417.490 4.565 0 40 HJAB O=S(=O)(NCCc1csc(-c2cccs2)n1)c1ccc2ccccc2c1 6756112 DCXMFVBYYVKQOV-UHFFFAOYSA-N 400.550 4.546 0 40 HJAB CC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3n2-c2ccccc2)cc1 7901267 KKGOTEZCYWGFJC-UHFFFAOYSA-N 415.518 4.637 0 40 HJAB CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 8193746 DBPVKPXMKDSSQU-UHFFFAOYSA-N 400.526 4.622 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(NC(=O)c3ccco3)cc2)c(OC)c1 8274682 KALCZEQGQFNZER-HXUWFJFHSA-N 420.465 4.526 0 40 HJAB COC(=O)c1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1C 8330441 RYIPNUKDNSOFMF-RCCKNPSSSA-N 416.433 4.869 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 8427845 VTROPKMVSQLGTN-UHFFFAOYSA-N 418.975 4.958 0 40 HJAB O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(c2ccccn2)CC1 8753469 YMYWCCDKWNTHPU-UHFFFAOYSA-N 402.281 4.611 0 40 HJAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)N[C@H](c1ccccc1)c1cccs1 9663487 ROZHCDPRIWPLEI-LJQANCHMSA-N 424.526 4.670 0 40 HJAB CCOc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCCCC2)cc1 11905385 UNOJTKNOPMBUBF-HSZRJFAPSA-N 419.525 4.697 0 40 HJAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(Cl)c1 12508450 ZJOPPQJURVWTDI-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB C[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)NCC1CCCCC1 12696954 QILHDFQOMDWNOE-LBPRGKRZSA-N 424.364 4.676 0 40 HJAB CCOc1ccc(CN(CC)C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1OC 12899150 PBTJCBAKRNVRLA-UHFFFAOYSA-N 415.489 4.968 0 40 HJAB Cc1cc(C)cc(NC(=O)C(C)(C)SC2=N/C(=C/c3ccccc3C)C(=O)N2)c1 13578801 PUELTBRAVHJCAD-CPNJWEJPSA-N 407.539 4.589 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1 13579005 YSKPZLLHSYACDC-UHFFFAOYSA-N 419.506 4.599 0 40 HJAB COc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccc4nccnc4c3)C2)c1 13691241 UWNLBXJYRMSPNE-NRFANRHFSA-N 414.490 4.691 0 40 HJAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 13696350 CJLHMEUSMBOAHG-UHFFFAOYSA-N 418.946 4.529 0 40 HJAB COc1ccc(CN(CC[C@@]2(c3ccccc3)C[C@H](C)N(C)C[C@@H]2C)C(C)=O)cc1 13756241 UCRIIXJATPHSML-ISJBWFOZSA-N 408.586 4.732 0 40 HJAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)NCc3ccco3)o2)cc1Cl 17082089 TUQRQNJYQMUDBP-VQHVLOKHSA-N 400.887 4.706 0 40 HJAB O=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CCN(Cc2ccc(F)cc2)CC1 19370413 YGSPJKBUGCSNDZ-SANMLTNESA-N 417.528 4.533 0 40 HJAB Cc1noc2nc(C3CCN(C(=O)c4cc(C(C)C)no4)CC3)cc(C(F)F)c12 19564869 PINFDVVNUREFLM-UHFFFAOYSA-N 404.417 4.600 0 40 HJAB CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)Nc2ccc(C)cc2-c2cc(C)n[nH]2)nn1 19660095 QPVAJXUZTBAUSC-QFIPXVFZSA-N 418.476 4.676 0 40 HJAB CCc1ccc(-c2[nH]nc3nc(-c4ccc(OC)c(OC)c4)cc(C(=O)O)c23)cc1 20492342 KHXLAAJKFZHWBC-UHFFFAOYSA-N 403.438 4.570 0 40 HJAB Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCCC2)o1 21659804 AEJFEBYBHIQQJV-QFIPXVFZSA-N 419.525 4.689 0 40 HJAB O=C(Cc1nc(COC(=O)c2cc3ccccc3s2)cs1)NCc1ccccc1 22526411 XXCYCWLCPCOOMR-UHFFFAOYSA-N 422.531 4.574 0 40 HJAB Cc1cc(C)c(NC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)c(C)c1 23126458 RBYQKXFCYZDOML-UHFFFAOYSA-N 403.507 4.689 0 40 HJAB CCC(=O)Nc1c(-c2ccccc2)nc2c(Br)cc(Br)cn12 27061606 AAFNMNKVFLWTOC-UHFFFAOYSA-N 423.108 4.875 0 40 HJAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 32119183 ZZPVYALEPYKVFU-UHFFFAOYSA-N 421.305 4.988 0 40 HJAB O=C(CSC1CCCCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 32896047 LNPJOHUMNIRGGN-UHFFFAOYSA-N 402.482 4.546 0 40 HJAB COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 36542290 HSVJCMLFGCXOCJ-NURAJXRLSA-N 402.575 4.935 0 40 HJAB O=C(c1ccco1)N1CCc2ccc(NC(=O)C3(c4cccs4)CCCC3)cc2C1 38710441 PKMVYNGPYUNIBB-UHFFFAOYSA-N 420.534 4.990 0 40 HJAB Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(F)cc2)c(NCc2cccnc2)o1 39404188 LFTBBWNTWACRFA-UHFFFAOYSA-N 423.469 4.629 0 40 HJAB CN(C(=O)NCc1ccc(OC(F)(F)F)cc1)[C@@H](c1ccccc1)c1ccccn1 40135586 FRSIJEUGIFKEPB-FQEVSTJZSA-N 415.415 4.911 0 40 HJAB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Cl)cc2-c2ccccc2)C[C@H]1C(=O)O 42783144 WERVLMPWUZADIW-WMZOPIPTSA-N 417.889 4.848 0 40 HJAB COc1ccc(Cl)cc1-n1nnc(-c2nc(-c3ccc(C)cc3C)cs2)c1N 49001863 ANLHCJOUJQGOAT-UHFFFAOYSA-N 411.918 4.919 0 40 HJAB COCc1nccc([C@H]2CCCN(Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)C2)n1 58196082 RTVLUNYFZQBGNR-SFHVURJKSA-N 421.541 4.541 0 40 HJAB Cc1cc(CNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2[nH]c(C)c(C)c2c1 65539180 RLTIVQMJGDISHO-UHFFFAOYSA-N 414.431 4.778 0 40 HJAB COc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)NCc1ccco1 67295573 IJZXMPKPXSTKIA-LVWGJNHUSA-N 408.841 4.850 0 40 HJAB Cc1ccccc1OCCN1CC[C@@H](c2c(C(=O)N(C)C)sc3ccccc23)C1 72352319 IJBLUPGTLKHKGL-GOSISDBHSA-N 408.567 4.780 0 40 HJAB Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 72354001 MNYFKUHLWJOZMX-FQEVSTJZSA-N 422.960 4.696 0 40 HJAB O=C(c1ccc(Cl)c(Cl)c1)c1ccccc1CN1CCC2(CC1)OCCO2 85651609 DMVQKRFXSCBYMU-UHFFFAOYSA-N 406.309 4.563 0 40 HJAB CC(C)(C)C(=O)NC[C@H]1CC[C@H](c2nc(N3CCCC3)ncc2-c2ccncc2)CC1 100739143 RRRBLWKBOFVFBR-PUZFROQSSA-N 421.589 4.575 0 40 HJAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 102663108 YTAVVOCPAQPSIP-PCCBWWKXSA-N 422.843 4.530 0 40 HJAB O=C(CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 102755253 ARYCMISIZKOYJP-AKIFATBCSA-N 416.924 4.786 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCOc1ccccc1 222599131 SEGAFTYRYIDKLL-ZJSXRUAMSA-N 424.585 4.610 0 40 HJAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)O)cc3)o2)S1 222631057 MJPHRICYADKSML-MRFFXTKBSA-N 405.479 4.629 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 222862342 VMVSGPHDNPGYBH-OAHLLOKOSA-N 421.368 4.868 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C1CCCC1 223305629 YOZYDRGELFCJFP-PMOQBDJRSA-N 424.614 4.767 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1Cc1cccnc1 223469247 DLHHLCIQUBRLRH-GOTSBHOMSA-N 417.582 4.956 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 223738782 NNUWXZJQCMOFNK-XMMPIXPASA-N 408.586 4.878 0 40 HJAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1cccc(OC)c1 224592394 NJBNQYSFRLMMNU-UHFFFAOYSA-N 421.493 4.612 0 40 HJAB CCC1(CC)C[C@H](NS(=O)(=O)c2cc(C)c(OC)cc2C)c2ccccc2O1 224667672 QDXQPZGUEQZEEQ-SFHVURJKSA-N 403.544 4.673 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 225218997 NNGGHCSHLAAFFL-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3cccc(Cl)c3)C2)no1 257214137 CKSANHZVASLLBH-QGZVFWFLSA-N 401.938 4.770 0 40 HJAB Cc1ccccc1NC(=O)[C@H](C)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257246205 ITBRWKUJMFYETQ-IBGZPJMESA-N 415.541 4.735 0 40 HJAB CCc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C)c1 408559824 ZGIJBUOIBPINGA-UHFFFAOYSA-N 424.522 4.619 0 40 HJAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 408595494 QLTURBXLWUQUME-UHFFFAOYSA-N 422.812 4.728 0 40 HJAB COc1ccc(Cl)cc1/C=C1\S[C](Nc2cc(Cl)ccc2OC)NC1=O 408800890 QBYCFEVWMCEQEL-UHFFFAOYSA-N 410.302 4.774 0 40 HJAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCCc3ccc4ccccc4n3)c12 520771697 WAUVXCLWYLIASM-UHFFFAOYSA-N 408.461 4.719 0 40 HJAB Cc1nc(-c2ccccc2F)sc1[C@H](C)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 540158021 RHGUDTXOXJYKTP-JHVJFLLYSA-N 417.594 4.676 0 40 HJAB Cc1nn(C)cc1[C@@H]1CCCN1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 675250203 HMEDYDFSTWMABY-QHCPKHFHSA-N 404.514 4.687 0 40 HJAB C[C@H]1CCCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 844976 GYJRMXOWZROTDC-LBPRGKRZSA-N 406.383 4.569 0 40 HJAB COc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccccc1 1068277 RWHRHTYQOWOEFE-MOSHPQCFSA-N 403.409 4.758 0 40 HJAB Cc1ccc(I)cc1NC(=O)c1cccc(Br)c1 1103300 NYZLJHQWFGHBMJ-UHFFFAOYSA-N 416.056 4.614 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 1324256 IMLXIJBUAVIXSO-UHFFFAOYSA-N 408.454 4.929 0 40 HJAB CCCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1-c1ccccn1 1362598 ZJVLCCALBPSLOC-UHFFFAOYSA-N 409.559 4.606 0 40 HJAB Cc1c(C)c2ccc(OC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2oc1=O 2147126 BFZHUTDUFVJLEH-HXUWFJFHSA-N 423.465 4.581 0 40 HJAB biogenic Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C 2441041 QRNDEIMWGBLVET-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(OC)cc2)c1CC 3282217 YPHFRKYBKDGCTN-UHFFFAOYSA-N 406.482 4.554 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)N3c4ccccc4C[C@@H]3C)s2)c(C)c1 3297398 NGGDLAGIJIBDDP-HNNXBMFYSA-N 410.568 4.968 0 40 HJAB CN(CC(=O)Nc1ccccc1Br)Cc1cccc(Cl)c1Cl 3439315 HZHYSBDCQLHDAG-UHFFFAOYSA-N 402.119 4.826 0 40 HJAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccco4)C[C@@H]4CCCO4)[C@H]3C=C12 4085625 YSZZLAPSDPZFFH-RXYZRBQLSA-N 413.558 4.575 0 40 HJAB biogenic Cn1cnnc1SCC(=O)N1c2ccccc2-c2c(ssc2=S)C1(C)C 4182187 AVLSKNFHDVLHHI-UHFFFAOYSA-N 420.610 4.709 0 40 HJAB COc1ccc(CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1F 4494143 FUYRODNOHHQPPG-QGZVFWFLSA-N 417.481 4.703 0 40 HJAB CC[C@@H](C)COC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 5025994 YLNITXSPCUUOFQ-MRXNPFEDSA-N 402.498 4.612 0 40 HJAB Cc1noc(C)c1C(=O)OCC(=O)c1cc(C)n(CCc2ccc(Cl)cc2)c1C 5196585 UWYIAZUTBYWIIV-UHFFFAOYSA-N 414.889 4.646 0 40 HJAB CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 5200763 HGZLQJBKHRHJMS-NUJGCVRESA-N 406.452 4.948 0 40 HJAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O 5235791 UFFYGPUYAIXRPP-FQEVSTJZSA-N 411.505 4.944 0 40 HJAB CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 5241367 HLAYCNYOPMGUGW-UHFFFAOYSA-N 406.463 4.541 0 40 HJAB CC(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1 5265209 WUSRZPLHPNOTHH-UHFFFAOYSA-N 405.454 4.880 0 40 HJAB COc1cccc(-c2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)c1OC 5401463 ILLDSCAIYWMVFA-UHFFFAOYSA-N 414.556 4.923 0 40 HJAB CCC(=O)Oc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OC 5417069 HOYNKBNOGYGHKQ-AQTBWJFISA-N 407.466 4.653 0 40 HJAB CC(C)c1ccc(-n2nnnc2S[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1 5562418 PAHMWGYASNKFJD-NRFANRHFSA-N 421.570 4.632 0 40 HJAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NC(c1ccccc1)c1ccccc1 6836835 OGAUBRJZHAZECK-UHFFFAOYSA-N 403.522 4.652 0 40 HJAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 6884403 CYNQJABAPVZHHI-NTEUORMPSA-N 418.946 4.557 0 40 HJAB Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccccc5)no4)c(=O)c23)cc1 7375499 VNINUOKSMNHEPL-UHFFFAOYSA-N 400.463 4.532 0 40 HJAB O=C(O)c1cc(Br)cc(Br)c1OCc1cccc(F)c1 7603980 ZJDVNWNZAASFEG-UHFFFAOYSA-N 404.029 4.628 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(Cl)nc1)CC2 7979644 ZEFMUUNNEKYTRB-FQEVSTJZSA-N 414.914 4.602 0 40 HJAB CCc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C)c(Cl)c2)cc1 8433513 MOWAIPWMMXKQGM-UHFFFAOYSA-N 416.905 4.502 0 40 HJAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC(C)C)cc1 9327605 WDJGGAVFHFERLX-UHFFFAOYSA-N 410.543 4.649 0 40 HJAB C[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2csc(-c3ccsc3)n2)C1=O 9366060 IJQUHIWXAWXRGD-JOCHJYFZSA-N 419.531 4.992 0 40 HJAB COc1ccc(-c2noc(CCC(=O)Nc3ccccc3SC(F)F)n2)cc1 10098245 GCTLVTIJTRUJKJ-UHFFFAOYSA-N 405.426 4.631 0 40 HJAB Cc1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)c1C 10325122 LTHYNYUKDPWKPQ-KRWDZBQOSA-N 420.534 4.696 0 40 HJAB COC(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(C)ccc(C)c3s2)cc1 11143108 RVLOCFHMWFFKJI-SFHVURJKSA-N 424.522 4.526 0 40 HJAB COc1cccc(C(=O)Nc2nc(CSCc3ccc(F)cc3)cs2)c1OC 12230205 SFAYMBVAVXAOIH-UHFFFAOYSA-N 418.515 4.985 0 40 HJAB COc1ccc2nc(NC(=O)CSc3ccc(Br)cc3)sc2c1 12820702 SSVSZSCDOIQCQW-UHFFFAOYSA-N 409.330 4.798 0 40 HJAB Nn1c(SCCOc2ccccc2Cl)nnc1-c1ccc(Cl)cc1Cl 13041556 WOUXQKGGNZNCLL-UHFFFAOYSA-N 415.733 4.790 0 40 HJAB COc1ccc(NC(=O)CSc2ncc(-c3cccc(Cl)c3)o2)cc1OC 16841022 HAHBLJJWGYIDHU-UHFFFAOYSA-N 404.875 4.743 0 40 HJAB O=C(c1cc(Cl)ccc1F)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 18079380 CDNZKCQXMUFXSI-UHFFFAOYSA-N 422.209 4.509 0 40 HJAB CC(C)c1nc(N2CCC(NC(=O)CC3CCCCC3)CC2)ncc1-c1ccncc1 19451605 LGHFIUVAGKDESJ-UHFFFAOYSA-N 421.589 4.717 0 40 HJAB Cc1noc2nc([C@H]3CCCN(C(=O)c4ccccc4F)C3)cc(C(F)(F)F)c12 19564149 LNHMOXGZLQTBOA-LBPRGKRZSA-N 407.367 4.709 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 20484068 UXHDUSQXPAVHSI-GOSISDBHSA-N 408.523 4.595 0 40 HJAB CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(C(=O)c2c(C)oc(C)c2C)CC1 23879071 SXCVBFRHMISCTO-OAQYLSRUSA-N 415.505 4.933 0 40 HJAB Cc1cc(C)n(CCC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)n1 25597499 NWPOMIPTJYGTPN-FQEVSTJZSA-N 420.944 4.973 0 40 HJAB Cc1cc(C)cc(OCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1 31903679 TWIPBIGYRNWTLS-LJQANCHMSA-N 405.542 4.847 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 32930137 WILGEVSRENUDRG-GOSISDBHSA-N 424.522 4.510 0 40 HJAB COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 33327330 YFBRLNNCTTYNQS-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB CCOc1ccccc1CNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 36617353 CJDSYVATZVUVJK-UHFFFAOYSA-N 405.429 4.666 0 40 HJAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2ccccc2Cl)CC1 58020081 DOIQTBXTFQGCSY-CQSZACIVSA-N 403.313 4.927 0 40 HJAB CCCc1nc(C(C)(C)NC(=O)c2sc(-c3ccc(OCC)cc3)nc2C)no1 65407596 MTRVZSSCTWDTHM-UHFFFAOYSA-N 414.531 4.518 0 40 HJAB C[C@H](Nc1c(C(=O)N2CCOCC2)cnc2ccc(Cl)cc12)c1ccc(F)cc1 67288405 ZKAAMKJEDIBRCC-AWEZNQCLSA-N 413.880 4.673 0 40 HJAB CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1[C@H](C)CC 67335149 SNJJMORDXJRWAC-CYBMUJFWSA-N 401.557 4.722 0 40 HJAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]1c1ccc(I)cc1 72303778 HYZHAULMGICIEH-GOSISDBHSA-N 416.262 4.750 0 40 HJAB CC(=O)Nc1ccc(CN2CCC[C@@H](c3nccnc3-c3cccc(C)c3)C2)cc1 72359045 RJUPSXLYFDWKGR-JOCHJYFZSA-N 400.526 4.790 0 40 HJAB Cc1nc(-c2c[nH]c(C(=O)N3CCCCC[C@H]3C[C@@H](O)c3ccccc3)c2)cs1 84274925 OGLXIALFLDWJMJ-SIKLNZKXSA-N 409.555 4.955 0 40 HJAB O=C(Nc1ccc(N2CCCC2)cn1)c1[nH]c2ccc(Br)cc2c1Cl 89800324 BKSSCQKEFFVQFZ-UHFFFAOYSA-N 419.710 4.831 0 40 HJAB COc1ccc2c(c1)CN(C(=O)Nc1ccc([S@](C)=O)cc1)[C@H](c1ccccc1)C2 97164719 PEWZCDYAILAHPZ-YUDQIZAISA-N 420.534 4.764 0 40 HJAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)C1 105361899 UAENYAGEVSRORJ-WSXQUGQNSA-N 405.336 4.957 0 40 HJAB O=C(COc1ccc(I)cc1)Nc1ccc(Cl)c(Cl)c1 219832389 QVEBWYXICGDHOK-UHFFFAOYSA-N 422.049 4.616 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 223634357 PFRWVPQMYXAQBI-HXUWFJFHSA-N 402.538 4.634 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223894221 QWYUWMYKEBQTLI-KSFYIVLOSA-N 409.526 4.760 0 40 HJAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1C 223970917 APEWHVDIMFKEOQ-JOCHJYFZSA-N 408.523 4.677 0 40 HJAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1C 223998681 CNSCEPKBTPHKPS-LJQANCHMSA-N 414.552 4.738 0 40 HJAB CC(C)(C)c1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 224094689 LNULMBDEKMNEPX-UHFFFAOYSA-N 422.550 4.715 0 40 HJAB Cc1ccc(OCCNC(=O)COc2ccc(C(C)C)cc2Br)c(C)c1 224250371 UAVODYFRIFIQRH-UHFFFAOYSA-N 420.347 4.763 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)cc1 224298583 CWVJXTGXQPWXKC-IBGZPJMESA-N 422.550 4.620 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccc(OC)cc1 224600505 RLSLXXTYGYFCQR-UHFFFAOYSA-N 421.449 4.654 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 225490410 QAGJXKRLWDDTKL-REWPJTCUSA-N 424.585 4.911 0 40 HJAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1Cl 225573166 HFINSGVFOOROMB-OAHLLOKOSA-N 421.896 4.580 0 40 HJAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H](C(=O)O)[C@H]([C@@]3(C)CCCC[C@H]3C(=O)O)CC[C@]12C 245238876 BWPVHESSENIYDR-USPQUHFESA-N 422.562 4.912 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCO[C@@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 257341722 ZLQGRSQMLVSXKY-HSZRJFAPSA-N 424.903 4.608 0 40 HJAB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c1 408663827 ONTZWQNOCJRXLU-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CCOC(=O)COc1ccc2ccccc2c1/C=C1\Sc2ccccc2NC1=O 409101931 ZPJMDDJWPUJMAK-BKUYFWCQSA-N 405.475 4.867 0 40 HJAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCc1ccccc1Cl 409340016 ORIIPGVFZQULOX-UHFFFAOYSA-N 400.935 4.733 0 40 HJAB CCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)C1=O 409374628 VJIRZVXJOPCKNE-XDHOZWIPSA-N 424.522 4.686 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)c1nccn1-c1ccccc1 569932607 HTWAWCYOTIUOHD-CQSZACIVSA-N 406.873 4.980 0 40 HJAB Cc1ccc(NC(=O)Cc2nnc3c(-c4ccccc4)cnn3c2-c2ccccc2)cc1 1548338350 PORQONQFRNWZKJ-UHFFFAOYSA-N 419.488 4.948 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n23)cc1 902960 JTHQMLKBBXNWEJ-UHFFFAOYSA-N 418.522 4.741 0 40 HJAB COc1cccc(NC(=O)CSc2nnc3c(C)cc4ccc(C)c(C)c4n23)c1 903156 UYMZPVREMDOUHI-UHFFFAOYSA-N 406.511 4.547 0 40 HJAB CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)/C=C/c1ccccc1 1223634 OSVWKFUWSYNGMD-OUKQBFOZSA-N 420.465 4.981 0 40 HJAB CCOc1ccccc1[C@@H](OC(=O)c1cccs1)C(=O)NCc1ccc(C)cc1 1328632 YERATYFWXPHFMX-OAQYLSRUSA-N 409.507 4.670 0 40 HJAB CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3nc4cc(C)c(C)cc4[nH]3)C2)cc1 1350247 PNGNIWYBJNWUJX-GOSISDBHSA-N 420.513 4.768 0 40 HJAB O=C(c1ccc(F)cc1F)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363536 DFHQSCYFVOBHBW-CYBMUJFWSA-N 403.816 4.688 0 40 HJAB CCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc12 2095168 SDZIIVJWOUDBDD-KRWDZBQOSA-N 417.502 4.509 0 40 HJAB biogenic Cc1oc2cc(OC(=O)c3ccc4c(c3)OCO4)ccc2c(=O)c1-c1ccccc1 2105356 LBCLEYQVZKUDGB-UHFFFAOYSA-N 400.386 4.716 0 40 HJAB biogenic Cc1cc(=O)oc2cc(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(Cl)cc12 2149034 COBLEPBJWOTBDZ-HNNXBMFYSA-N 423.893 4.600 0 40 HJAB biogenic C[C@H](NC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12)c1ccccc1 2290233 GNXICJSKOUQZNN-KRWDZBQOSA-N 421.504 4.706 0 40 HJAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 2315443 ZZJCPUZSGBNNHX-UHFFFAOYSA-N 420.896 4.951 0 40 HJAB CSc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2441620 FCVXSZSWVZBBFO-IERDGZPVSA-N 421.518 4.548 0 40 HJAB Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 2443788 COPKUVPTEDEVLH-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB O=C(COc1ccc(Br)cc1)OCc1csc(-c2ccccc2)n1 2648966 WHQNARQTRLOGLE-UHFFFAOYSA-N 404.285 4.695 0 40 HJAB Cc1cc2ccccn2c1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 3208446 GKEJKYHJMLZVEZ-UHFFFAOYSA-N 424.909 4.933 0 40 HJAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc2ccccc12 3278837 NTACYXOEEZXHEM-UHFFFAOYSA-N 406.301 4.802 0 40 HJAB Clc1cc(Cl)c2nnc(SCCOc3cccc(Br)c3)n2c1 3359819 DPGLYQUSIMUOEL-UHFFFAOYSA-N 419.131 4.970 0 40 HJAB COc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 3408158 LUKZMCHLYPCGTG-NSHDSACASA-N 423.325 4.702 0 40 HJAB CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@@H]1c1ccc(C)cc1 4816941 OSQHJABCGBRNHV-RTWAWAEBSA-N 404.514 4.853 0 40 HJAB Cc1cc(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCCCC2)ccc1Br 4872495 VBEYULCPNNZINC-GOSISDBHSA-N 409.368 4.807 0 40 HJAB Cc1cc(C)n(-c2nc(N3CCCC[C@H]3C)c3c4c(sc3n2)COC(C)(C)C4)n1 5561058 MDCCYVBAHGPGEL-CQSZACIVSA-N 411.575 4.724 0 40 HJAB COc1ccc2c(c1)c(CC(=O)NCC(C)C)c(C)n2C(=O)c1ccc(Cl)cc1 6378034 JWUPAOCSOUUQNS-UHFFFAOYSA-N 412.917 4.615 0 40 HJAB O=C(Nc1ccc2ccccc2c1)c1ccccc1NS(=O)(=O)c1ccccc1 6707135 WBXJPZFMTZOYBC-UHFFFAOYSA-N 402.475 4.893 0 40 HJAB CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)S2 6812238 QKDJANPJJILPFJ-RTWAWAEBSA-N 421.570 4.554 0 40 HJAB CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cc(C)ccc1C)S2 6812242 NXMXIZFDRGBJPS-RTWAWAEBSA-N 421.570 4.554 0 40 HJAB Cc1cc(Cl)cc2sc(N(CCCn3ccnc3)C(=O)c3ccco3)nc12 7424818 PVHKRVMZAQRKKP-UHFFFAOYSA-N 400.891 4.785 0 40 HJAB O=C(NCCCn1ccc2ccccc21)c1cccc(NC(=O)c2cccs2)c1 8189021 AILLNXPREXWQGZ-UHFFFAOYSA-N 403.507 4.775 0 40 HJAB O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCC[C@@H]1c1cccs1 9218176 CSBCTGZJOLXNSX-HXUWFJFHSA-N 403.507 4.952 0 40 HJAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 9835400 STEYOXNXULUVRT-FQEVSTJZSA-N 419.506 4.949 0 40 HJAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCC[C@@H]1c1nc2ccccc2s1 9996044 UHOUPGPJYUNBOV-OAHLLOKOSA-N 400.887 4.698 0 40 HJAB CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3sc(C)nc3C)cs2)cc1 10142296 NZVYQCWBMDFZHO-UHFFFAOYSA-N 415.540 4.820 0 40 HJAB CC(C)C(=O)N1CCCc2cc([C@@H](O)CN3CC=C(c4ccc(F)cc4)CC3)ccc21 12291392 IPIPAPKIFPXDQE-VWLOTQADSA-N 422.544 4.584 0 40 HJAB Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442038 SLRWIFGDPSVNPN-UHFFFAOYSA-N 410.449 4.764 0 40 HJAB Fc1ccc(-c2ccc([C@@H]3CCNC[C@H]3COc3ccc4c(c3)OCO4)cc2)cc1 12648295 KGCNJTDZPZEYEM-REWPJTCUSA-N 405.469 4.994 0 40 HJAB in-vitro Cc1ccc(-c2nnc(SCc3c(F)cccc3Cl)n2CCC(=O)O)cc1 12749295 RCNYXBGIKLRSIN-UHFFFAOYSA-N 405.882 4.813 0 40 HJAB O=C(CSc1nnc(-c2ccco2)o1)N1c2ccccc2OC[C@H]1c1ccccc1 13116980 UUZKCYNZXLRMHJ-KRWDZBQOSA-N 419.462 4.589 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2ccc(C)c(F)c2)no1 14197505 GUVLMDYELLNGJL-UHFFFAOYSA-N 409.490 4.679 0 40 HJAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 16047938 GEQZUKSIZKQXDT-UHFFFAOYSA-N 420.490 4.606 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 16282512 ACGSKANPPQURPW-UHFFFAOYSA-N 420.962 4.611 0 40 HJAB Cc1cc(C(=O)Nc2ccc(Cn3cc(Cl)cn3)cc2)c2c(C)nn(C(C)C)c2n1 17093358 PIXFTYGLYPXZSF-UHFFFAOYSA-N 422.920 4.780 0 40 HJAB Cc1nn([C@@H](C)CC(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)c(C)c1Cl 19577504 QSIMQAHXTSTQSJ-YOEHRIQHSA-N 407.917 4.561 0 40 HJAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C2CCCC2)C1 19591045 MYNCENWZJABTMS-DEOSSOPVSA-N 410.583 4.503 0 40 HJAB O=C(C1CC1)N1CCC[C@H](c2cc(Oc3cccc(F)c3)nc(-c3cccnc3)n2)C1 19717413 VLXKDHWLPOTTRL-SFHVURJKSA-N 418.472 4.586 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1C 20765615 TVJHTEKWNVNDOK-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB CN(C)[C@H](CNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1 23424062 OZRAVTBGBWZXSG-JOCHJYFZSA-N 401.535 4.996 0 40 HJAB COc1cc(CNC[C@H](c2ccco2)N2CCCC2)ccc1OCc1ccc(F)cc1 25357633 QSIMMGNVIYZNFK-JOCHJYFZSA-N 424.516 4.933 0 40 HJAB CC(=O)c1nnc2n1N(C(C)=O)C(c1ccc(C)cc1)=C(c1ccc(Cl)cc1)S2 27643016 XZJMAAWNDZUKSE-UHFFFAOYSA-N 424.913 4.559 0 40 HJAB CCCOc1ccc(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)cc1OC 28287274 QXBVIBOGSJSHFH-UHFFFAOYSA-N 403.891 4.908 0 40 HJAB COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(C)c2C)c1 28527979 ADBXEUBKTSIJKP-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3c(s2)-c2ccccc2OC3)c(C)c1 30396123 TVLCHLBMDAYXIW-UHFFFAOYSA-N 420.534 4.943 0 40 HJAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc2ccc(NC(C)=O)cc2o1 32128011 PWMPPEHNXNSFEU-ZZXKWVIFSA-N 420.252 4.754 0 40 HJAB CCOc1ccc(-c2cc(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)no2)cc1 32593660 GRZBEQQMLITZOA-HSZRJFAPSA-N 419.525 4.697 0 40 HJAB COc1ccc([C@@H](C)NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1F 32714440 GUWSVOXMABFPFD-CQSZACIVSA-N 410.420 4.717 0 40 HJAB O=C(Nc1ccccc1Oc1ccccc1)c1cccc(CN2C(=O)CSC2=O)c1 32905827 PYNOFQCTWIYTRO-UHFFFAOYSA-N 418.474 4.927 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Oc3nnc(C)c4ccccc34)cc2)cc1 32907684 PUIROYTWMAFURG-UHFFFAOYSA-N 405.479 4.840 0 40 HJAB COc1cccc(NC(=O)CSc2ncnc3c(-c4cccc(C)c4)c[nH]c23)c1 33291871 IUZJLMFBSBQNID-UHFFFAOYSA-N 404.495 4.673 0 40 HJAB COc1c(Br)cc(CN[C@H]2CCc3ccccc32)cc1Br 36325158 TXNXFVJBWQUDGF-INIZCTEOSA-N 411.137 4.997 0 40 HJAB Cc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3ccnn3C(C)C)nc12 36701784 RPWCFANCEMUFCC-UHFFFAOYSA-N 405.527 4.933 0 40 HJAB COc1ccc(Cn2c([C@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)cc1 40251437 ZLFTWKGZIAPLNL-FQEVSTJZSA-N 411.505 4.922 0 40 HJAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c(C)c1 44912110 QSNZCVLLKCAWAB-UHFFFAOYSA-N 414.933 4.676 0 40 HJAB CN(c1ccc(NC(=O)NC[C@H](O)c2ccc(F)cc2)cc1F)C1CCCCC1 48237654 AFFJPECNLHHQNJ-NRFANRHFSA-N 403.473 4.589 0 40 HJAB Cc1nc(C)c(-c2nnc(NC(=O)C3c4ccccc4Oc4ccccc43)o2)s1 49029307 YVZLTSIYJMBXEF-UHFFFAOYSA-N 404.451 4.686 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 57496852 XOKLTDGJVBLDID-UHFFFAOYSA-N 406.433 4.715 0 40 HJAB Fc1ccc(C2=CCN([C@H](c3ccc(F)cc3)c3nnnn3C3CCCC3)CC2)cc1 57613853 ZRVIQRFZEAMQCH-HSZRJFAPSA-N 421.495 4.945 0 40 HJAB CC(C)(C)n1nnnc1[C@@H](c1ccccn1)N(Cc1ccccc1)Cc1cccs1 57710976 VAHNGDHBLWBBQJ-OAQYLSRUSA-N 418.570 4.676 0 40 HJAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 58434668 ZDMCHGBQXPSEAK-YKSBVNFPSA-N 421.585 4.548 0 40 HJAB Cc1ccc(CN2CCC(c3nnc([C@H]4CCCCN4C(=O)CC(C)C)o3)CC2)cc1 72344942 MASOKFYGHLYZAC-JOCHJYFZSA-N 424.589 4.857 0 40 HJAB O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1cnc(-c2ccccc2)nc1 84564862 KZTHJUWVAZXKEV-UHFFFAOYSA-N 408.433 4.721 0 40 HJAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCO[C@@H](c2ccccc2)C1 95473898 LNWAFMUNPQEDPZ-FYYLOGMGSA-N 408.929 4.916 0 40 HJAB Cc1ccc2c(-c3cc4c(CNC[C@H]5CCCO5)cnc(C)c4o3)cc(=O)oc2c1C 95478988 LNLTVTPVSKAZTJ-GOSISDBHSA-N 418.493 4.795 0 40 HJAB CC(C)n1cnc2c(-c3cnn(C)c3)nc(C3CCN(Cc4cccs4)CC3)cc21 96100044 HGPUAJWEGFJPJR-UHFFFAOYSA-N 420.586 4.854 0 40 HJAB Cc1c(-c2nnc3sc(CN4CC[C@H](c5ccccc5)C4)nn23)oc2ccccc12 96194457 UIRGZUZRRXSKBW-KRWDZBQOSA-N 415.522 4.897 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2c(NCc3ccccc3)c3ccccc3oc2=O)cc1 96515452 LRSAGRHJKYKVHR-UHFFFAOYSA-N 420.490 4.514 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 136529975 NRJLWJSSVAAHSI-OALUTQOASA-N 402.494 4.519 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 165717909 KABJQUAJMTVBJC-GPHNJDIKSA-N 416.521 4.599 0 40 HJAB CCc1ccc([C@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 223336524 LYDNWLGAYXNXOL-SFHVURJKSA-N 422.550 4.565 0 40 HJAB COc1ccc(NC(=O)c2ccc(OC)c(COc3cccc(C)c3)c2)c(OC)c1 224112243 AXTONXRKYAYKNN-UHFFFAOYSA-N 407.466 4.852 0 40 HJAB O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 224529997 AHDNIHUAIXWRFB-UHFFFAOYSA-N 401.875 4.785 0 40 HJAB COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)c(C)c1C 225023486 OWWFHIRGPSQKGS-XMMPIXPASA-N 409.551 4.997 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225102086 RCXXWFGYJHRWCP-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB CCCC(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(=O)NC(C)C)CC1 257342758 ZQAQVZDFRYBGDX-UHFFFAOYSA-N 424.560 4.969 0 40 HJAB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)Nc2cc(Cl)ccc2Cl)c1 408669328 VXJFJAXXFKGQLU-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CC(=O)c1cccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)c1 408675873 LKYFMKPJGRZIFI-UHFFFAOYSA-N 400.409 4.769 0 40 HJAB COc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 409382592 UOEJYUBWCPWJGE-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB O=C(N[C@H]1CCC[C@@H]1NC(=O)c1cccc(C(F)F)c1)c1cccc(C(F)F)c1 647620582 SGEICGASNZEOKK-IRXDYDNUSA-N 408.395 4.643 0 40 HJAB COc1ccc(C(=O)N[C@H](CCc2ccccc2)c2ccc3c(c2)OCCO3)cc1 668004 QKJOCHPGOQVCIT-JOCHJYFZSA-N 403.478 4.570 0 40 HJAB CC[C@H]1CCc2c(sc(NC(=O)COc3ccc4ccccc4c3)c2C(N)=O)C1 689060 JQDYCHHMIVOYBB-AWEZNQCLSA-N 408.523 4.533 0 40 HJAB CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@H](C(C)C)OC3 1254199 YESUBHYFPOQWQN-QGZVFWFLSA-N 414.596 4.910 0 40 HJAB O=C(Nc1ccc(Br)cc1)c1ccc(OC(=S)N2CCCCC2)cc1 1434602 CKTLKYSPQWUZJW-UHFFFAOYSA-N 419.344 4.851 0 40 HJAB COc1ccccc1-c1c(C(F)(F)F)oc2cc(OC(=O)C3CC3)ccc2c1=O 1447989 GWHJJVQCZMDZPX-UHFFFAOYSA-N 404.340 4.803 0 40 HJAB biogenic Cc1cc(OCCCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc(C)c1Cl 1787143 BGLZZEGJELBMNA-UHFFFAOYSA-N 420.962 4.794 0 40 HJAB CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc1 3230537 ZVPFCQKXDDABRJ-QHCPKHFHSA-N 423.534 4.952 0 40 HJAB CCC(CC)C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1 4078260 KSJFDEQGFANKSZ-UHFFFAOYSA-N 400.367 4.968 0 40 HJAB CC(C)c1ccc(N2C[C@@H](C(=O)Nc3ccccc3Br)CC2=O)cc1 4664325 XPWZFTNYNOPLBC-HNNXBMFYSA-N 401.304 4.564 0 40 HJAB O=C1C[C@H](c2ccccc2)N=C(SCC(=O)N(c2ccccc2)c2ccccc2)N1 4813606 JUWLEVQVCXUKOQ-OAQYLSRUSA-N 415.518 4.702 0 40 HJAB CN(C)C[C@H](CCCC[C@@H](CN(C)C)C(=O)c1ccccc1)C(=O)c1ccccc1 4871771 VSMBPTAACRCDOF-ZEQRLZLVSA-N 408.586 4.668 0 40 HJAB O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1Cc1ccccc1 4903445 JBNPNVYATCJYRA-OAQYLSRUSA-N 411.505 4.631 0 40 HJAB Cc1cc(C)c(NC(=O)[C@H](C)n2nnc3sc(-c4ccccc4)cc3c2=O)c(C)c1 5183273 BHGNXRQAHSEIBG-INIZCTEOSA-N 418.522 4.645 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC2CCCCCC2)ccc1C 6235041 LGSCPNWSQDZABL-UHFFFAOYSA-N 400.544 4.557 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 6245122 SAPXYFXYBUQGDD-UHFFFAOYSA-N 412.445 4.949 0 40 HJAB CCc1nnc2sc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3)nn12 6710863 LLMLNNFSSRHFIY-LFYBBSHMSA-N 409.902 4.721 0 40 HJAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OCC)c(OCC)c1 6752959 RPLSWJKJFVQUEJ-QHCPKHFHSA-N 421.497 4.535 0 40 HJAB CCCCn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 7262134 MHWQWRMSCIPRFX-UHFFFAOYSA-N 406.317 4.971 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)cc1 7510424 UXWACAHVBHORDA-UHFFFAOYSA-N 402.248 4.539 0 40 HJAB CC(C)c1ccc([C@H](NC(=O)CSc2nncn2-c2ccccc2)C(C)C)cc1 8211209 DVNYUASJZSDIBJ-JOCHJYFZSA-N 408.571 4.996 0 40 HJAB O=C(/C=C/c1cccs1)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 9062082 KNBUMQOZJKIAJC-OUKQBFOZSA-N 416.462 4.702 0 40 HJAB Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F 9403999 UPBPFBITDLCTJX-UHFFFAOYSA-N 417.462 4.746 0 40 HJAB O=S(=O)(c1ccccc1)c1nc(/C=C/c2cccs2)oc1NCc1cccnc1 9409612 NBIMZXAIFOFATJ-ZHACJKMWSA-N 423.519 4.746 0 40 HJAB Cc1cccc(C(=O)Nc2nc(-c3nnn(-c4cc(Cl)ccc4C)c3C)ns2)c1 9639105 IKMUQEFJCTYFCL-UHFFFAOYSA-N 424.917 4.617 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1cccc(Cl)c1Cl 9666273 QSTORZNXXZASDM-UHFFFAOYSA-N 418.280 4.591 0 40 HJAB Cc1c(Cl)cccc1NC(=O)Cc1csc(NC(=O)NC2CCCCC2)n1 9785174 RKVDTLJHBLGCKL-UHFFFAOYSA-N 406.939 4.740 0 40 HJAB CC(=O)c1cccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)c1 10314522 NXSFNIINYVYSAZ-UHFFFAOYSA-N 422.506 4.559 0 40 HJAB Cc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)[C@@H](C)c4ccccc4)CC3)cc2n1 12160583 ILCKCSGEDREKGK-HNNXBMFYSA-N 416.447 4.566 0 40 HJAB CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C)nc3ccccc23)CC1 12608805 WAYJEBMMCOTZTL-UHFFFAOYSA-N 408.933 4.591 0 40 HJAB Cc1ccc(SCCNC(=O)c2ccccc2N(C)C(=O)c2cccs2)cc1 12755785 FGBVWGPLBWZFIK-UHFFFAOYSA-N 410.564 4.855 0 40 HJAB CCCCCCOc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1OC 13018972 XPXRZZWXHLGVCD-UHFFFAOYSA-N 403.426 4.777 0 40 HJAB Cc1ccccc1Cn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21 13031041 BBFVOROEHOGZLI-UHFFFAOYSA-N 413.521 4.521 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c(F)c1 13114676 SQQUWDHYTWHLSB-UHFFFAOYSA-N 421.501 4.940 0 40 HJAB Cc1ccc(Oc2ccccc2NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1 14071801 QTFXRIXKOGPGMX-UHFFFAOYSA-N 422.506 4.580 0 40 HJAB CC(=O)c1csc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)n1 15200903 FBBVZJPRSILEIM-UHFFFAOYSA-N 404.447 4.680 0 40 HJAB CNc1snc(C)c1C(=O)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 16552453 FAKKIIGVADTFLR-NRFANRHFSA-N 414.458 4.597 0 40 HJAB Cc1noc(C)c1Cc1ccc(C(=O)N2CCC(Oc3ccccc3F)CC2)s1 19581069 NVWDUPXSSULUAC-UHFFFAOYSA-N 414.502 4.766 0 40 HJAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccccc2Cl)cc1OC 20110440 BQJWFKJHHWMRBF-SFHVURJKSA-N 405.922 4.654 0 40 HJAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccccc3)c2c1 20382362 AQVRGHFMZRTPBV-UHFFFAOYSA-N 418.518 4.997 0 40 HJAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCc2ccccc21 21277932 NPVVUZXVZQXTFF-SFHVURJKSA-N 405.325 4.727 0 40 HJAB Cc1ccc(S(=O)(=O)C2(C(=O)N[C@H](C)CCc3ccccc3)CCCC2)cc1C 22058628 UMWVHQYKKDWBHD-HXUWFJFHSA-N 413.583 4.527 0 40 HJAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)CCCOc1ccc(C(C)(C)C)cc1 24836014 UMEDLZFJOVQYNY-LAUBAEHRSA-N 408.542 4.537 0 40 HJAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1ccc2c(c1)OCO2 26403081 IIFOKFDCVLNETM-UHFFFAOYSA-N 414.505 4.608 0 40 HJAB CCCOc1ccc(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)cc1OC 28294393 UTZHBHOYLQSHDU-UHFFFAOYSA-N 403.891 4.908 0 40 HJAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCC(=O)CCC(=O)c1ccc(C)s1 30673284 GYEPAYGLLLDYHS-MRXNPFEDSA-N 401.528 4.563 0 40 HJAB O=C(CCc1nnc(-c2ccsc2)o1)NCc1cccc(Oc2ccccc2)c1 32362667 DRIQSHQRYCMWNQ-UHFFFAOYSA-N 405.479 4.839 0 40 HJAB Cc1ccc(CNC(=O)CSc2nnc(SCc3cccs3)s2)cc1 32823815 GYTDAMQHKBAWBM-UHFFFAOYSA-N 407.611 4.609 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 32902322 SOQHIHZBNJCLQU-UHFFFAOYSA-N 414.914 4.956 0 40 HJAB Cc1ccc(CN2CCC(C(=O)NCCCc3ccc(OC(C)C)cc3)CC2)cc1 39753794 USGHPSSGBHWTAT-UHFFFAOYSA-N 408.586 4.743 0 40 HJAB CC(C)N(CC(=O)Nc1ccc(C(C)(C)C)cc1)Cc1nnc(-c2ccccc2)o1 40012036 NGKJXLBKVHMUOD-UHFFFAOYSA-N 406.530 4.883 0 40 HJAB Cc1cccc(Oc2ccccc2NC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)c1 40059822 HDCJPUUIQNEXAC-SFHVURJKSA-N 404.466 4.871 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@H](C)SCc2nc(-c3ccccc3Cl)no2)cc1 40067445 FFYHKXPQHKBTFU-ZDUSSCGKSA-N 415.902 4.853 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(COc2ccc(Br)cc2)o1 40140044 AEOOLMWAAVFRRP-UHFFFAOYSA-N 416.227 4.602 0 40 HJAB CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2cc(C)cc(C)c2)C1 44803693 MBPPRNXSKDPSAK-SFHVURJKSA-N 404.514 4.500 0 40 HJAB Cc1cc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)cc(C)c1O 46570347 MINFHSBNRRNRMI-SXGWCWSVSA-N 417.893 4.667 0 40 HJAB COc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccccc23)c(OC)c1 48986029 AOFSBGQYMKASHI-UHFFFAOYSA-N 405.498 4.868 0 40 HJAB CCn1cc(-c2nc(-c3ccc(OC(C)C)c(OC)c3)no2)c(=O)c2cc(F)ccc21 64963661 QPUMBECBVHLQGQ-UHFFFAOYSA-N 423.444 4.673 0 40 HJAB Cn1cc(CN2CCC[C@@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cn1 72358132 DVAYMWBIQPAICT-OAQYLSRUSA-N 400.448 4.762 0 40 HJAB COc1ccc(C2(C(=O)Nc3nc(-c4cccs4)cs3)CCOCC2)cc1 72405340 YOLPQJMBSFTSKJ-UHFFFAOYSA-N 400.525 4.567 0 40 HJAB CCOC(=O)c1ccc([C@H](C)N2N=C(c3cc(Cl)cc(Cl)c3)CC2=O)cc1 95080017 CMDLPGHRFICBDM-LBPRGKRZSA-N 405.281 4.868 0 40 HJAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1csc(-c2ccccn2)n1 96307384 CEQWFBWCEWREKB-NVNXTCNLSA-N 402.262 4.856 0 40 HJAB CCCOc1c(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(OC)cc2)C3)cccc1OC 100765896 RAZCJLOUWJERIA-NHCUHLMSSA-N 411.542 4.507 0 40 HJAB COc1ccc2c(c1)s/c(=N\C(=O)Cc1cccc3ccccc13)n2CCSC 101119419 IJNUPOOKFFTREC-VHXPQNKSSA-N 422.575 4.898 0 40 HJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 222934734 IWCPPCUDLDMEOP-WOJBJXKFSA-N 411.962 4.549 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 222968869 CKDGEPGOLCAQKL-HXUWFJFHSA-N 418.990 4.684 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222980030 LRURYUMARFJVOZ-CABCVRRESA-N 402.332 4.973 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 223629684 OCBLTYKQPRTOQK-HSZRJFAPSA-N 424.585 4.577 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 224059681 VCAVZTDFTMJXSG-XMMPIXPASA-N 408.586 4.694 0 40 HJAB COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1ccccc1C(C)C 224232229 FAFMOZZVUDDDRE-UHFFFAOYSA-N 418.493 4.749 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C 224623565 XYXRVOZFOGDZQN-DEOSSOPVSA-N 408.586 4.734 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 224706696 CKPUSPHFEXAOMB-FQEVSTJZSA-N 412.599 4.729 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 225192044 ZFUFXBJBMKALSO-MOPGFXCFSA-N 414.977 4.913 0 40 HJAB CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Br)cc3)nc2c1 226344535 SFCCOZUXSYOKNY-UHFFFAOYSA-N 424.092 4.932 0 40 HJAB S=C(Nc1cccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1)N[C@@H]1C[C@H]2CC[C@H]1C2 254813357 IDCCYCFBXABYHM-PSJNWGMYSA-N 414.644 4.637 0 40 HJAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C(C)C)CC1 257202561 AMIPDGZSJJGRQM-UHFFFAOYSA-N 406.570 4.605 0 40 HJAB O=C(c1ccccc1CN1CCCC1)N1CCC[C@@H](Cc2cccc3ncccc23)C1 257268613 MMKRIWMTTDJRPV-NRFANRHFSA-N 413.565 4.926 0 40 HJAB Cc1ncc(CN2CC[C@@H](c3cc(COc4cccc(C(F)(F)F)c4)[nH]n3)C2)s1 257321912 WDVGHAOBAOBDRU-CQSZACIVSA-N 422.476 4.762 0 40 HJAB CSc1ccccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 408592398 KERFLYTVSIDKGE-UHFFFAOYSA-N 419.572 4.617 0 40 HJAB CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)c1 408629069 LADPIRWFAXRLSY-UHFFFAOYSA-N 401.938 4.523 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 408639621 GCJDZPRCWMRVBP-WMLDXEAASA-N 415.331 4.560 0 40 HJAB CC(C)c1ccccc1NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 408680911 SWKUKQYATJWNQW-UHFFFAOYSA-N 408.951 4.648 0 40 HJAB COc1ccc(OC)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3C)n2)c1 408699499 XGKCIFCUKAZINN-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB CCCc1sc(Nc2ccc(OC)cc2OC)nc1-c1ccc(OC)c(OC)c1 408755944 NYVLIGBREKUNLA-UHFFFAOYSA-N 414.527 5.541 0 40 HJAB O=C1/C(=C\c2ccncc2)N=C(c2ccccc2Br)N1c1ccccc1 408840794 FZTXFTPWFUIJTN-XMHGGMMESA-N 404.267 4.679 0 40 HJAB COc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c2c(OC)cccc12 409077380 DHXBIVOKMJLBJB-JXAWBTAJSA-N 410.539 4.590 0 40 HJAB Cn1cncc1CCN[C@@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 530513127 HEHFFKOERLPJBM-MRXNPFEDSA-N 417.376 4.516 0 40 HJAB Cc1cnn(-c2ccccc2)c1NC(=O)[C@H](C)Cc1ccc(OC(F)(F)F)cc1 1532030801 BXUTXBWIWYKCNW-CQSZACIVSA-N 403.404 4.897 0 40 HJAB Clc1ccccc1CN1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1 1560160407 VXXOJZQJZSUIBW-IBGZPJMESA-N 402.723 4.973 0 40 HJAB O=c1c2cc(F)c(F)cc2nc(SCc2nc(C3CCCCC3)no2)n1C1CC1 2087158707 LSMRTRJGVPDJEK-UHFFFAOYSA-N 418.469 4.733 0 40 HJAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCc1ccccc1 646568 WHTFNHGLJQKZLG-UHFFFAOYSA-N 409.458 4.632 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1C 786990 UASHRQVUSLYMTO-UHFFFAOYSA-N 404.495 4.915 0 40 HJAB O=C1C(Cl)=C(Nc2ccc(Oc3ccccc3)cc2)C(=O)N1Cc1ccccc1 1903729 MXOYXNLTFHDYAO-UHFFFAOYSA-N 404.853 4.910 0 40 HJAB COc1ccc(CCn2c(-c3ccc(OC)cc3)nc3nc4ccccc4nc32)cc1 2253831 XBCDUXFFYLSZBM-UHFFFAOYSA-N 410.477 4.906 0 40 HJAB CCN(CC)CCCNc1nc(SC)nc2sc3c(c12)C[C@](C)(CC)OC3 2401501 KFZPLCLSYZSJQO-FQEVSTJZSA-N 408.637 4.798 0 40 HJAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NCc1ccc(F)cc1 2619331 YZEPSYMBCUCODG-UHFFFAOYSA-N 409.511 4.906 0 40 HJAB O=C(COC(=O)/C=C/c1ccc(Br)o1)Nc1c(Cl)cccc1Cl 3302069 WYWFBUINLJEDHL-FNORWQNLSA-N 419.058 4.544 0 40 HJAB COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc(OC)c1OC 4611265 NHGGCGRREIHRON-BUHFOSPRSA-N 414.461 4.582 0 40 HJAB C[C@@H]1CCCN(C(=O)C2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)C1 5045760 NCLXKUMCUJYMSE-OAQYLSRUSA-N 406.570 4.736 0 40 HJAB Cc1nc(NC(=O)c2cc(Br)ccc2Cl)ccc1Br 6571276 LHLRKGCEOUPDAZ-UHFFFAOYSA-N 404.489 4.821 0 40 HJAB Cc1cccc(C)c1OCCOC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl 6882114 QSUGQSCWXFSREP-UHFFFAOYSA-N 402.853 4.826 0 40 HJAB O=C(CN1CCSc2ccccc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 7355547 FZVISKVQXHCPGI-MRXNPFEDSA-N 409.580 4.615 0 40 HJAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccccc1C 9002252 KGJVTJIWJJJQPE-UHFFFAOYSA-N 401.509 4.619 0 40 HJAB C[C@@H](c1nnc(SCc2cc(-c3ccco3)on2)n1-c1ccc(F)cc1)N(C)C 9365055 XNQBUORYGGBWCD-ZDUSSCGKSA-N 413.478 4.569 0 40 HJAB COc1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C2CCCC2)c1 10142085 WMSCWVDFKPFCJO-OAHLLOKOSA-N 423.538 4.640 0 40 HJAB COc1ccccc1[C@H](C)NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 12560040 SPHSEEPPOKVSFR-AWEZNQCLSA-N 409.486 4.630 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)[C@H](C)c2nc3ccccc3n2C(F)F)c(C)c1 12886366 XCHVKRHYIOKSSZ-MRXNPFEDSA-N 400.473 4.988 0 40 HJAB COc1ccc(NC(=O)c2csc(-c3cccc(OC)c3OC)n2)cc1Cl 13018642 KWKRSYZZAKOXFH-UHFFFAOYSA-N 404.875 4.742 0 40 HJAB COc1cccc(CC(=O)Nc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cs2)c1 14250902 YVGZEHOPHUTFEY-UHFFFAOYSA-N 423.538 4.985 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2Cl)c1 16291039 SHDUIGGLLFCCJT-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB COC(=O)c1ccn(Cn2nc(-c3cccc(C)c3)c(C)c2-c2cccc(C)c2)n1 17081907 XDGLXHLQUHNCAB-UHFFFAOYSA-N 400.482 4.631 0 40 HJAB COc1cc2c(cc1OC)[C@@H]([C@@H](C)c1ccccc1)N[C@@H](c1cccnc1OC)C2 19459502 OJQFZPDNOZSLNT-VZDNWZCBSA-N 404.510 4.839 0 40 HJAB CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)CCC2CCCC2)CC1)c1ccccc1 19526668 DJECXDTVEYPHHF-UHFFFAOYSA-N 422.573 4.753 0 40 HJAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CC23CCC3)C1 19528813 VGJILEQHACZUOZ-CPJSRVTESA-N 422.594 4.503 0 40 HJAB Cc1ccc(CNC(=O)C2CCC(CNc3nc(=S)[nH]c4ccccc34)CC2)o1 20646090 CCXWIIPJSNPXLA-UHFFFAOYSA-N 410.543 4.729 0 40 HJAB Cc1cccc(OCc2nnc(SCc3c(F)c(F)c(F)c(F)c3F)o2)c1 21330427 GGBDIJYYWFLCSW-UHFFFAOYSA-N 402.344 4.945 0 40 HJAB Cc1noc(C)c1CCC(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 26882770 KDMQZEHJQCTBBI-UHFFFAOYSA-N 403.434 4.911 0 40 HJAB CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c1 30214883 TYXJWILXYVCEQM-UHFFFAOYSA-N 414.868 4.999 0 40 HJAB CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c2ccccc21 31829099 OFXKQGQMFGFGDA-OQKWZONESA-N 421.500 4.991 0 40 HJAB C[C@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1cccc(Br)c1 32924580 HAWGZEGDTAOJKN-LBPRGKRZSA-N 420.332 4.761 0 40 HJAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 38752199 ILBGWPALHVWGQM-UHFFFAOYSA-N 408.523 4.594 0 40 HJAB C[C@@H]1Cc2cc(-c3cc(COC(=O)CSc4nc5ccccc5o4)no3)ccc2O1 38758126 RWOOTRBBOFGZTO-CYBMUJFWSA-N 422.462 4.642 0 40 HJAB C[C@@H](NC(=O)CCOc1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 40074054 UWKPRWIRFQEJDL-CYBMUJFWSA-N 421.324 4.988 0 40 HJAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1cccc(OCc2ccccn2)c1 40111871 LFMKPMRATNBCPG-UHFFFAOYSA-N 417.440 4.693 0 40 HJAB O=C(COc1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1)NCc1ccccc1 40488326 KSVWGKGMXTVKIG-UHFFFAOYSA-N 419.868 4.752 0 40 HJAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(C)c1 44912000 LDXJDORDRVRHRF-LJQANCHMSA-N 414.933 4.676 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1ccc(-n2cnc(-c3ccccc3)c2)nn1 49401207 NCZNJEGYOKTKMF-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB CC(C)n1ncc(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)c1C(F)(F)F 60337281 XRHPHVBABJWCFY-LLVKDONJSA-N 423.357 4.699 0 40 HJAB Cc1cc(SCC(=O)NCCc2ccc(Cl)cc2)nc(-c2cccc(F)c2)n1 67257428 OCSPOHUNLKBCTH-UHFFFAOYSA-N 415.921 4.696 0 40 HJAB Cc1ccc(N(Cc2ccc(F)cc2Br)[C@H]2C=CS(=O)(=O)C2)cc1C 72308571 NYTVKWQTSOXKSA-SFHVURJKSA-N 424.335 4.522 0 40 HJAB O=C(c1ccncc1)N1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358733 YBGZVJCQIJJVQS-QGZVFWFLSA-N 412.415 4.577 0 40 HJAB COc1ccc2oc(C(=O)N3CCC4(CC3)CC(=O)c3cc(C)ccc3O4)c(C)c2c1 72390740 AIFHYSLFJFVMSW-UHFFFAOYSA-N 419.477 4.698 0 40 HJAB CCCCC1CCC(C(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)CC1 78996252 PQLMFHKWNNDFKJ-LMDPOFIKSA-N 404.570 4.961 0 40 HJAB Cc1nc(-c2cccs2)sc1CNS(=O)(=O)c1ccccc1C(F)(F)F 90592849 SHPVMBJIRBBIGG-UHFFFAOYSA-N 418.487 4.677 0 40 HJAB Cc1csc(CN(C)C(=O)[C@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)n1 95465662 CWJWWHNDQUAONR-CABCVRRESA-N 402.951 4.914 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1ccccc1Oc1ccccn1 97111996 YLDHFQOHURDAGW-UHFFFAOYSA-N 418.884 4.951 0 40 HJAB CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 103718377 WUUOJHAAHKKQAN-ZDUSSCGKSA-N 407.297 4.774 0 40 HJAB COC(=O)CC[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(=O)C[C@@]21C 118928321 XAAOVQCJMNBXLL-YUPZRBNCSA-N 404.591 4.775 0 40 HJAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C(=O)C[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)OC(C)=O)[C@@H]3CC[C@@H]2C1 123202097 YFQHKGUJGTVODY-QEIYVJPRSA-N 418.574 4.708 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 223254616 CQVNQMRQLDWUAZ-QHCPKHFHSA-N 424.585 4.876 0 40 HJAB O=C(NCC1CCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 223422252 DLAAKEFJTFXSID-DEOSSOPVSA-N 408.567 4.771 0 40 HJAB C[C@H](CNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 224547336 ZEPQUCPGLWCCKB-QGZVFWFLSA-N 415.375 4.581 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 224616625 DBICQXWKFNCFDW-QFIPXVFZSA-N 414.977 4.771 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225570651 TVMZBOWVVJBPRO-SFHVURJKSA-N 414.977 4.777 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1 409096088 JPMWJJKRGLNIMM-UHFFFAOYSA-N 400.935 4.985 0 40 HJAB COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccccc5)coc4c32)cc1 524729520 WRCUZIKPPFLTPP-QGZVFWFLSA-N 414.413 4.615 0 40 HJAB biogenic O=C(O)c1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1Cc1cccc(F)c1 585266923 WQILUKHQWAQPFW-FQEVSTJZSA-N 411.864 4.900 0 40 HJAB O=C(c1ccccc1SCc1cn2ccccc2n1)N1CCOc2ccccc2C1 618261970 BEOWSPUEEGWXBF-UHFFFAOYSA-N 415.518 4.661 0 40 HJAB CC(=O)N1CCCCCCCN(C(=O)CCn2ccnc2C(C)C)Cc2ccccc21 643553303 KOVXZELXHVOTDJ-UHFFFAOYSA-N 424.589 4.742 0 40 HJAB O=C(O)c1cc(C2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)no1 685939413 WNFBSDXZSCNISZ-UHFFFAOYSA-N 418.449 4.501 0 40 HJAB CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1 906804 MYEKIPFSJYGSBL-AWEZNQCLSA-N 415.950 4.683 0 40 HJAB CCCc1nc2ccccc2n1CC(=O)N(c1c(C)cccc1CC)[C@@H](C)COC 1470656 CCHSEWZHECKFGV-IBGZPJMESA-N 407.558 4.928 0 40 HJAB CCCCCCNC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2248956 AFDHNFOQXCJXFW-UHFFFAOYSA-N 401.514 4.774 0 40 HJAB CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@](C)(CC)OC3 2346748 USLDDZLDXSMSOT-NRFANRHFSA-N 400.569 4.860 0 40 HJAB Cc1cc(C)c(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1C 2620013 LTWFHWZHKMGGKS-NRFANRHFSA-N 419.308 4.569 0 40 HJAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c1C 2628168 ICWXBCSUYQWNGN-CQSZACIVSA-N 416.572 4.882 0 40 HJAB COc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1Cl 2689136 BPWLYGVLXGVMNM-RDTXWAMCSA-N 423.694 4.881 0 40 HJAB CN(CCOc1ccc(Br)cc1)C(=O)c1cc(Cl)c(O)c(Cl)c1 3323538 GQFZHBCSGKWFMO-UHFFFAOYSA-N 419.102 4.613 0 40 HJAB O=C(/C=C/c1ccccc1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCO3 5142231 MESGDJFRNGKHLI-CMDGGOBGSA-N 415.474 4.667 0 40 HJAB Cc1cc(Br)cc2c1N(Cc1ccc(OCCC(C)C)cc1)C(=O)C2=O 5234862 WCWWALOATZTWBI-UHFFFAOYSA-N 416.315 4.912 0 40 HJAB Cc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(=O)CSc1ncn[nH]1 5519120 PVFJSNXUEWVSQU-HSZRJFAPSA-N 406.555 4.727 0 40 HJAB CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(CC2CCCCC2)C1 6137728 FHLJTCJRKFJLFF-JTHBVZDNSA-N 419.613 4.576 0 40 HJAB biogenic,in-vitro COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(OC(F)F)c3)n2)c1 6261058 MGDYXJOTPALEAI-UHFFFAOYSA-N 406.410 4.681 0 40 HJAB CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 6462771 BOEPGOWBQFJLMZ-UHFFFAOYSA-N 423.344 4.709 0 40 HJAB COc1ccc([C@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2cccc(C)c2)cc1OC 6679121 AEKANYRMQWPEKE-QVKFZJNVSA-N 423.538 4.670 0 40 HJAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)cs1 6681750 SYRMKUBXOWIZFO-UHFFFAOYSA-N 406.916 4.763 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCC[C@@H]2CCCC[C@H]21 7546406 HBBUNBQTSZBVQF-GOEBONIOSA-N 402.589 4.615 0 40 HJAB COc1ccccc1N1C(=O)S[C@@H](Cc2cc(Cl)cc(Cl)c2OC)C1=O 8169260 NOPJPHLKXKPFLT-HNNXBMFYSA-N 412.294 4.822 0 40 HJAB C=CCc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc(OC)c1O 8277394 SFIYTHWXEKKEEP-WOJGMQOQSA-N 414.914 4.983 0 40 HJAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN(c2ccccc2F)C4)cc1 9422022 GMYAZUWNPBFLLX-UHFFFAOYSA-N 403.409 4.964 0 40 HJAB biogenic Cc1ccc2occ(/C=C/c3ccc(S(=O)(=O)N4CCCCC4)s3)c(=O)c2c1 9458465 GCHFZJQOWLFXIB-VOTSOKGWSA-N 415.536 4.508 0 40 HJAB O=C(Cn1ccnc1)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 10809621 HHLSEHIPLQTCCU-KRWDZBQOSA-N 413.308 4.620 0 40 HJAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N1CC=C(c2c[nH]c3ccccc23)CC1 11074700 QYQNUSDMUWAYMT-AATRIKPKSA-N 406.869 4.879 0 40 HJAB C[C@H]1CCc2c(sc3nc(CCN(C)Cc4c(F)cccc4Cl)nc(N)c23)C1 12514523 WMCDYUANHQXNRJ-LBPRGKRZSA-N 418.969 4.865 0 40 HJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc2[nH]cnc2c1 12525268 QEFJBFIGUTZIGS-UHFFFAOYSA-N 407.477 4.688 0 40 HJAB CCCn1c(SCC(=O)N(C)[C@H](C)c2ccccc2)nnc1-c1cccc(C)c1 12803154 LHJCSHCIOPUTJR-GOSISDBHSA-N 408.571 4.975 0 40 HJAB Cc1cc(Sc2nnc(Cc3cccs3)n2CCc2ccccc2)nc(C)n1 12933578 PGBOUVSEYNWGJM-UHFFFAOYSA-N 407.568 4.731 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1C 13004498 HQDRCPYXMFYAAF-UHFFFAOYSA-N 420.366 4.549 0 40 HJAB O=C(CN1[C@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2)Nc1cccc(Cl)c1Cl 13561632 IMEYQTUOBKQKSG-UDQVXKKJSA-N 423.315 4.586 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4cccc(F)c4)ccc32)cc1 13583675 VASONOGGUIWWOQ-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 13684397 NVLIRKGOKYYPNN-LJQANCHMSA-N 402.494 4.812 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc([C@@H](C)Oc2ccccc2)n1C 13849622 FOOSVWQUIIAQOQ-CQSZACIVSA-N 416.934 4.648 0 40 HJAB CCCNC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1-c1cccc(C)c1 16071586 LAVQVGFHVLKLIG-INIZCTEOSA-N 419.554 4.731 0 40 HJAB CC[C@H](NC(=O)c1ccc(Cn2nc(C(F)(F)F)cc2C)o1)c1ccc(OC)cc1 19500512 SMRRBISHLCEZSJ-KRWDZBQOSA-N 421.419 4.741 0 40 HJAB CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)cc(C(F)(F)F)c12 19742293 OCNCGJYWVJXDEH-CQSZACIVSA-N 423.483 4.693 0 40 HJAB COc1cc(C)ccc1CN1CCC[C@H]1c1ccc2c(C)nn(-c3ccccn3)c2n1 19742434 IATGRNUNWXIHRF-QFIPXVFZSA-N 413.525 4.778 0 40 HJAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1 19880204 AWXGXPPLDNLNGZ-UHFFFAOYSA-N 404.941 4.816 0 40 HJAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(CCc1ccc(F)cc1)CO3 19882494 BRLRMEGCWCQMOS-UHFFFAOYSA-N 401.437 4.994 0 40 HJAB biogenic COc1cccc(OCc2nnc(SCc3cccc(Br)c3)o2)c1 19928620 QFHFPBPBEINOFY-UHFFFAOYSA-N 407.289 4.712 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3CCCC(C)(C)C3)c2)cc1 19932185 VFYRAEKVUQCJEQ-UHFFFAOYSA-N 420.962 4.711 0 40 HJAB COC(=O)c1c(-c2cccs2)csc1NC(=O)COc1c(C)cccc1C 21785464 VQNSJOOIHHRCBR-UHFFFAOYSA-N 401.509 4.898 0 40 HJAB Cc1nc(-c2cccs2)ccc1C(=O)OCC(=O)N(C)Cc1ccc(Cl)s1 22283959 FYRVKXPQRTYMHP-UHFFFAOYSA-N 420.943 4.649 0 40 HJAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)N2CCCCC2)cc1 28289032 FNCPRDGLRKKBQE-QFIPXVFZSA-N 418.537 4.675 0 40 HJAB COc1ccc2cc(C(=O)Nc3nc(-c4ccccc4)cs3)sc(=O)c2c1OC 32594768 NIMDAALEQXDANU-UHFFFAOYSA-N 424.503 4.655 0 40 HJAB COc1ccc(-c2nc(CSc3nc(CC4CCCC4)n[nH]3)cs2)cc1OC 32883975 TXNMUGRCGYXBOA-UHFFFAOYSA-N 416.572 4.970 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nc(Cc2ccc(Cl)cc2)n[nH]1 32957359 UCHRPKUHYQASFH-UHFFFAOYSA-N 407.326 4.742 0 40 HJAB O=C(CSc1ccc(-n2cnc(-c3ccccc3)c2)nn1)Nc1cccc(Cl)c1 49401200 SETWZXPPZRIRFD-UHFFFAOYSA-N 421.913 4.714 0 40 HJAB Cc1ccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)cc1 59502182 KRBBVIBXAPNOOC-UHFFFAOYSA-N 404.853 4.549 0 40 HJAB Cc1ccc(CSc2ncc3c(n2)-c2cc(Cl)ccc2N(C)S3(=O)=O)cc1 67260094 DLHTXOLWEZPQKN-UHFFFAOYSA-N 417.943 4.536 0 40 HJAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ncoc2-c2cccs2)C1 78658477 QHVNPHFQAMSWHO-HUUCEWRRSA-N 409.511 4.774 0 40 HJAB Cc1nccn1-c1ccc([C@@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 79048559 DBNCJVWBZMQYEC-CYBMUJFWSA-N 424.353 4.668 0 40 HJAB COc1c(C)cccc1C(=O)NC[C@H]1CC[C@H](c2nn(C)cc2-c2ccncc2)CC1 100744879 BBDXDSPAWUGOPM-PUZFROQSSA-N 418.541 4.503 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)CCc3ccccc3)c2)cc1 147424291 MKQZIABZFSFKJR-IBGZPJMESA-N 422.550 4.547 0 40 HJAB C[C@H](NS(=O)(=O)c1ccc(N[C@H](C)c2ccccc2)c(C(=O)O)c1)c1ccccc1 217610412 IKXVPCRAVNLGBP-SJORKVTESA-N 424.522 4.597 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)ccc1C 223071060 YJZUFTIDOIXFQW-RTBURBONSA-N 414.977 4.831 0 40 HJAB COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C 224233043 VOEOFYZLWQLEGG-GOTSBHOMSA-N 420.582 4.632 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 224240154 IOMPENMJDLAMDU-HSZRJFAPSA-N 410.533 4.543 0 40 HJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)s2)c(OC)c1 224794701 QEWRLNWFGXJSLH-UXHICEINSA-N 411.552 4.646 0 40 HJAB Cc1cc(C)cc(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1 225003945 VBWGLNWZUCOZBA-JOCHJYFZSA-N 420.597 4.755 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 225510848 PLGHVQAXLWNEEN-ZJSXRUAMSA-N 408.586 4.958 0 40 HJAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1Cl 225570219 AYUCLKOLMLSUCZ-QGZVFWFLSA-N 417.933 4.749 0 40 HJAB C[C@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)N[C@H](C)c3ccccc3)n2)C1 225964006 PVNQKVRMBWQGDV-QLFBSQMISA-N 403.983 4.660 0 40 HJAB FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CCCN3C[C@H]3CCOC3)nn12 247663413 UQQTWWUFYFFZMD-CJNGLKHVSA-N 422.476 4.650 0 40 HJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1 260812601 HOFCTQOZOSTGMY-MZLICYQSSA-N 404.595 4.967 0 40 HJAB CCc1s/c(=N\C(=O)c2ccc(OC)c(OC)c2)n(CC)c1-c1ccc(C)cc1 408560055 BRHNTQQVRBIQPQ-VHXPQNKSSA-N 410.539 4.866 0 40 HJAB Cc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 408648964 YWRHEXMVRJBIQH-MRXNPFEDSA-N 423.310 4.902 0 40 HJAB Cc1c(Cl)cccc1-n1nc(C(=O)NCc2ccccc2)nc1-c1ccc(F)cc1 408692932 YUKYTAQHNDHHNE-UHFFFAOYSA-N 420.875 4.965 0 40 HJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(C)cc(C)cc3C)C2=O)cc1 409090778 QCDUPWUACWAXFY-UDWIEESQSA-N 424.522 4.686 0 40 HJAB COc1ccccc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 409158118 WNPUNVQVUHWHKU-UHFFFAOYSA-N 413.499 4.511 0 40 HJAB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)C1=O 409244240 ZXQKBUJMVAJVIR-LICLKQGHSA-N 405.281 4.793 0 40 HJAB COc1cc(CNc2nc3ccccc3cc2CO)ccc1OCc1ccccc1 606148945 MFGDSOXDBGVLMU-UHFFFAOYSA-N 400.478 4.927 0 40 HJAB CCCCN([C@H]1CCC[C@H](C)C1)S(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C 1663585863 VSHNRJABINQVJC-YOEHRIQHSA-N 415.983 4.805 0 40 HJAB CC(C)OC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2)sc2c1CCCC2 1067932 YGRAYSKFBWRSSZ-CYBMUJFWSA-N 405.491 4.737 0 40 HJAB O=C(CSc1nnc(COc2cccc3cccnc23)o1)c1c[nH]c2ccccc12 1223345 WMMDAZOLVLLJMB-UHFFFAOYSA-N 416.462 4.653 0 40 HJAB COc1ccc(NC(=O)c2c(C(F)(F)F)nn(C)c2SCc2ccccc2)cc1 1385367 VLULHANOSKJVLK-UHFFFAOYSA-N 421.444 4.992 0 40 HJAB O=S(=O)(NC[C@@H](Nc1ccc(F)cc1)c1ccccc1)c1ccc(Cl)cc1 1428846 SGLQALGHWKZXNB-HXUWFJFHSA-N 404.894 4.611 0 40 HJAB COc1ccc2c(c1)CCc1c(-c3noc4c3CCc3cc(OC)ccc3-4)noc1-2 1588236 LZKSUVYQWLNVJV-UHFFFAOYSA-N 400.434 4.878 0 40 HJAB in-vitro O=C(Oc1cccc2ccccc12)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1782166 MGUFUQCTAIMOSS-HSZRJFAPSA-N 421.452 4.653 0 40 HJAB CCc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 2651391 VLVXVYKQDGQVFN-UHFFFAOYSA-N 414.914 4.956 0 40 HJAB CC(C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O 3196930 SWJJOLRKYKPPOC-UHFFFAOYSA-N 401.418 4.845 0 40 HJAB C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1cc(Cl)ccc1Cl 4251873 WHKIRPCAULZWHF-NSHDSACASA-N 407.326 4.690 0 40 HJAB Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(N(C)C)cc3)c(Cl)c12 4330334 NXYMHJCSGJRZON-UHFFFAOYSA-N 405.889 4.701 0 40 HJAB COc1ccc2nc(SCC(=O)Nc3ccccc3C(=O)c3ccccc3)[nH]c2c1 4406232 XQZFJUQOYSVULS-UHFFFAOYSA-N 417.490 4.533 0 40 HJAB COCCCNC(=O)CSc1nc(-c2cccc(Cl)c2)[nH]c1-c1ccccc1 4927846 YNUBLMHXDFTEQR-UHFFFAOYSA-N 415.946 4.642 0 40 HJAB COc1cccc(/C=C(/C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c2ccccc2)c1 6052336 IPIOFSASIRPEHU-HFDMDZPJSA-N 421.537 4.720 0 40 HJAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 6128742 OLKBAHMKWDMYFQ-HRAATJIYSA-N 418.566 4.819 0 40 HJAB Cc1ccc(C(=O)c2noc(-c3cccs3)c2S(=O)(=O)c2ccccc2)cc1 6204389 GTYDOSLHGAGOJT-UHFFFAOYSA-N 409.488 4.775 0 40 HJAB CCc1cccc(CC)c1NC(=O)CSc1nnc2c(n1)[nH]c1c(C)cc(C)cc12 6860435 IERLTCBCAVVLFT-UHFFFAOYSA-N 419.554 4.979 0 40 HJAB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O 6971813 HEPGYFJSUNQBLQ-UDWIEESQSA-N 407.470 4.534 0 40 HJAB COc1ccc(C(C)=O)cc1CSc1nnc(COc2ccccc2Cl)n1C 7236081 TUGLSMKWZAUMMA-UHFFFAOYSA-N 417.918 4.551 0 40 HJAB COc1ccc(-c2nnc([C@H](C)Sc3nccn3-c3ccc(OC)cc3)o2)cc1 8708506 RWXBZFJECTXVSY-AWEZNQCLSA-N 408.483 4.793 0 40 HJAB CCOc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 8936172 HWTLYXQXWCHLGP-OAQYLSRUSA-N 423.509 4.573 0 40 HJAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21 8959461 NDNUJPRUGSXHQV-UHFFFAOYSA-N 406.404 4.729 0 40 HJAB C[C@H]1C[C@@H](Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccco2)C(=O)O1 9365094 VJZHQQPZARRHQA-KBXCAEBGSA-N 411.527 4.680 0 40 HJAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 10328077 OVRRLQATJAVVHB-UHFFFAOYSA-N 422.550 4.984 0 40 HJAB COc1ccc(CCN(Cc2ccncc2)Cc2c[nH]c3ccccc23)cc1OC 12118077 GCIDDAJRMKHJPO-UHFFFAOYSA-N 401.510 4.825 0 40 HJAB CC(C)c1ccc(-c2noc(Cn3cnc4c(Cl)cc(Cl)cc4c3=O)n2)cc1 12801943 SMPZZUDSKOERGA-UHFFFAOYSA-N 415.280 4.925 0 40 HJAB Cc1ccc(Oc2ccc(NC(=O)Cc3csc(NC(=O)C4CC4)n3)cc2)cc1 12881536 ONZXKUIFUYUOKX-UHFFFAOYSA-N 407.495 4.774 0 40 HJAB CC(C)[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(F)cc1 12927168 LGWZHAHXFSCFGQ-PXRHPAFUSA-N 408.517 4.591 0 40 HJAB COc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)Nc1ccccc1Cl 13006275 KHHWBEQOMFROGN-UHFFFAOYSA-N 410.923 4.524 0 40 HJAB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2C[C@H]2CCCO2)cc1 13013747 OJFNMYQBRXBWEC-YKSBVNFPSA-N 419.550 4.601 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1cc2n(n1)[C@H](C(F)(F)F)[C@@H]1CCCC[C@@H]1N2 13124507 XRRSYUJZJFMCFN-XAGWURHQSA-N 400.351 4.501 0 40 HJAB CCOc1ccccc1-n1nnnc1SCc1csc(Nc2ccc(C)cc2)n1 13138012 FBMVPSIHNMBCMD-UHFFFAOYSA-N 424.555 4.862 0 40 HJAB O=C(CSc1nccc(-c2ccc(F)cc2)n1)Nc1ccccc1Br 13561652 AMFZRBFVWZUGIV-UHFFFAOYSA-N 418.291 4.776 0 40 HJAB Cc1ccc(-c2nc(CC(=O)NCc3ccccc3CN3CCCC3)cs2)cc1 14242648 ZKWWMZAZEPWTRO-UHFFFAOYSA-N 405.567 4.573 0 40 HJAB CS(=O)(=O)Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 14623194 XEOVKSRRICTSQL-UHFFFAOYSA-N 415.898 4.929 0 40 HJAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl 14701584 OGHVIVBCFHRALO-CYBMUJFWSA-N 401.869 4.781 0 40 HJAB COC(=O)c1ccc(C)c(NC(=O)COc2ccc(C3SCCCS3)cc2)c1 14893503 FJSMXCCUJGRADF-UHFFFAOYSA-N 417.552 4.668 0 40 HJAB CCCOc1ccc(NC(=O)COc2ccc(Br)cc2)c2cccnc12 15840915 RQGSIQKNIBGNPD-UHFFFAOYSA-N 415.287 4.804 0 40 HJAB C[C@H](NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(Cl)cc1Cl 16695473 JULYADSVHVHNSX-NSHDSACASA-N 409.235 4.828 0 40 HJAB Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(Cc4c[nH]nc4C(C)(C)C)C3)noc2n1 19568873 PXKLTANHUDJYHZ-ZDUSSCGKSA-N 421.467 4.950 0 40 HJAB CC1=C(C(=O)OC(C)(C)C)C(c2ccc(C)s2)C(C(=O)OC(C)(C)C)=C(C)N1 19594066 DFZCMYVCEYJTRG-UHFFFAOYSA-N 405.560 4.975 0 40 HJAB COc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3ccccc3F)s1)C=CO2 19810010 NHMSCWUIYJCPTI-UHFFFAOYSA-N 408.454 4.810 0 40 HJAB CCCOc1cccc(C(=O)Nc2ccc(-c3nn4c(CCC)nnc4s3)cc2)c1 20609826 GFTFEQQXSMTTKN-UHFFFAOYSA-N 421.526 4.846 0 40 HJAB Cc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1C 21986531 QMHIEEWTOGXGNA-DEOSSOPVSA-N 415.489 4.838 0 40 HJAB Cc1cccc(Cn2cc(Br)c(NC(=O)c3cccc(F)c3F)n2)c1 28229186 YUOUYTNBJCVLEK-UHFFFAOYSA-N 406.230 4.533 0 40 HJAB CCCOc1cc2sc(NC(=O)COc3ccc(F)cc3)nc2c2cccnc12 28291200 NDKLMRYMPSVJDC-UHFFFAOYSA-N 411.458 4.790 0 40 HJAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 32900001 MYKMTRPGBGZDRL-LJQANCHMSA-N 417.436 4.553 0 40 HJAB O=C(O[C@H]1CCOC1=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2 34718665 UTVMBIHWIHXXLN-QQBSYFJQSA-N 405.475 4.646 0 40 HJAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1SCC(F)(F)F 36390725 KIRPGVBRZDTTRI-UHFFFAOYSA-N 421.444 4.539 0 40 HJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl 40005297 LXRIFSZLYGIDHV-GFCCVEGCSA-N 408.260 4.783 0 40 HJAB CC(C)(C)c1ccc(SCC(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1 40049204 HABNGNPERRWRIB-QGZVFWFLSA-N 408.571 4.525 0 40 HJAB COc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)cc1 40485873 LVLQPKPCOFKRTD-OAQYLSRUSA-N 406.869 4.796 0 40 HJAB CC(C)Oc1ccc(CNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 44932219 VIYGAJZHZXNUCU-UHFFFAOYSA-N 400.950 4.656 0 40 HJAB O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCCCOCC1CC1 45870958 UKMBKNCNJLEDSO-UHFFFAOYSA-N 404.510 4.874 0 40 HJAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 49581309 WUHRBTQZVLIGIB-FYSMJZIKSA-N 410.514 4.603 0 40 HJAB COc1cc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(OC)cc1Cl 51364579 RCXKWHHCYOUJNE-OAHLLOKOSA-N 424.884 4.516 0 40 HJAB COc1ccccc1CNc1ncc(-c2cccc(Cl)c2)c(-c2nccn2C)n1 57775483 GOAFPIVSKREJAK-UHFFFAOYSA-N 405.889 4.818 0 40 HJAB CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCC[C@@H]3c3ccsc3)c2)c1C 58157979 ODDXXXLBXFFZHP-HXUWFJFHSA-N 424.526 4.788 0 40 HJAB O=C(NCCC(=O)N(Cc1ccccc1)c1ccccn1)c1ccc2ccccc2c1 58690765 QIVLUAXUNKYOIP-UHFFFAOYSA-N 409.489 4.588 0 40 HJAB O=C(CCOc1cccc(F)c1)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1 72353418 XCMSIVFSSRBSBU-GOSISDBHSA-N 420.488 4.534 0 40 HJAB O=C(Cc1csc(-c2cc(Br)cs2)n1)N1C[C@H]2CCCC[C@@H]2C1 79022418 NWIPXBSKUDTBFN-VXGBXAGGSA-N 411.390 4.825 0 40 HJAB FC(F)(F)c1cc(N2CCC[C@@H]2c2nc3ccccc3[nH]2)nc(-c2ccncc2)n1 79097735 HZHJSAZJEQCBLB-MRXNPFEDSA-N 410.403 4.775 0 40 HJAB Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)c2ccccc2n1 89582924 HVSBGHYXKKBDPO-JXFKEZNVSA-N 400.400 4.510 0 40 HJAB CC(=O)N(c1cccc(Cl)c1)c1nc(CN2CCC[C@H]2[C@@H]2CCCN2C)cs1 89930385 UVPMWWOTYHEZMV-PMACEKPBSA-N 418.994 4.540 0 40 HJAB O=C(Nc1ccc(F)cc1)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 96037768 FOOWHJYPAAFVHP-UHFFFAOYSA-N 413.456 4.809 0 40 HJAB CC(C)c1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)no1 100156278 OYCJEUVEUSTOSN-OKILXGFUSA-N 400.504 4.613 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@@H]2C(=O)N1c1ccc(Cl)cc1 102759505 BLRJGWCBCDORJS-ACRUOGEOSA-N 422.843 4.530 0 40 HJAB CCOc1ccc2oc(C(=O)OCC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(C)c2c1 102777979 PICIZOGGSJEPTE-GYCJOSAFSA-N 413.514 4.724 0 40 HJAB CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1OCC 106764182 QCYXUWLTKBZJNY-HKWRFOASSA-N 413.495 4.599 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1ccco1 222910536 FRMZVNFODQETHI-VXKWHMMOSA-N 408.571 4.770 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1Cc1ccco1 223365982 STVLSJMEYIJIKY-FGZHOGPDSA-N 400.507 4.638 0 40 HJAB O=C(O)c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 223369816 XIYKYLBFDXMTFP-UHFFFAOYSA-N 421.833 4.770 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1Cc1ccccn1 223544968 DDLSSFSFAWCPLV-XZOQPEGZSA-N 417.582 4.956 0 40 HJAB Cc1ccc(C(=O)NC2CCCCC2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224314090 UWLILWUIZSZNGR-UHFFFAOYSA-N 420.962 4.536 0 40 HJAB COC(=O)c1cc(NC(=S)NCCSCc2ccc(C)cc2)ccc1Cl 225293484 LNQOLKOQLYGDMU-UHFFFAOYSA-N 408.976 4.655 0 40 HJAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCCC1 225655212 MGECJCHULUSPJF-HXUWFJFHSA-N 402.579 4.865 0 40 HJAB COc1cc(CN2[C@H]3CC[C@H]2c2cccnc2C3)ccc1OCc1c(C)noc1C 247883791 KDYGWBBRJFEYQG-AVRDEDQJSA-N 405.498 4.536 0 40 HJAB CC(C)CC(=O)N1CCC(Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)CC1 257340756 ZHKJLHGCTVGHPJ-UHFFFAOYSA-N 406.570 4.639 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccccc3OC)N21 260763076 IJIZHLNZZIEXKY-HVETUWLQSA-N 404.539 4.860 0 40 HJAB CCOc1ccc(N2C[C@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)cc1 408672681 VVOSDNXPYIDPFI-HXUWFJFHSA-N 401.462 4.711 0 40 HJAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c(C)c1 409381393 LYZFCMOBIDJEMQ-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CCc1c2c(nc3sc(C(=O)Nc4ccccc4F)c(N)c13)CC(C)(C)CC2=O 630189 PYQQXEPAXNDOCM-UHFFFAOYSA-N 411.502 4.987 0 40 HJAB COC(=O)c1ccc(NC(=O)c2c(NC(=O)C(C)(C)C)sc3c2CCCC3)cc1 644130 IVXGJAWBKQOLIS-UHFFFAOYSA-N 414.527 4.650 0 40 HJAB Cc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)s1 669381 UVIWAQHDQRKXFG-UHFFFAOYSA-N 402.475 4.930 0 40 HJAB CCN(C(=O)c1ccccc1F)[C@H](C(=O)Nc1c(C)cccc1C)c1ccc(O)cc1 792658 OYUWMBDRHVLSKD-QHCPKHFHSA-N 420.484 4.990 0 40 HJAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCCc1ccccc1 901450 NXHRPSKYVMWAAJ-UHFFFAOYSA-N 423.485 4.675 0 40 HJAB Cc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cc4ccc(C)cc4nc3Cl)C2)cc1 1257785 KGKRMUMTIZBGPL-HXUWFJFHSA-N 413.930 4.616 0 40 HJAB Cc1ccc(C(=O)N2CCc3cc(-c4csc(NC(=O)C5CC5)n4)ccc32)cc1 1355738 WBVFZQCQMGXNQT-UHFFFAOYSA-N 403.507 4.670 0 40 HJAB Cc1ccc2c(c1)cc(CN(C(=O)NC1CCCCC1)C1CCCCC1)c1nnnn12 1376901 NJTSOGZMWYBWOW-UHFFFAOYSA-N 420.561 4.763 0 40 HJAB Cc1cccc(Cn2cnc3c(NS(=O)(=O)c4ccc(F)cc4)c(C)c(C)cc32)c1 1388529 SKVSHAMMVRWKNM-UHFFFAOYSA-N 423.513 4.950 0 40 HJAB COC(CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)OC 1447602 XVCAIVNBHGDYFS-UHFFFAOYSA-N 408.889 4.772 0 40 HJAB COC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc2c1CC[C@@H](C)C2 1773768 UYULZLGMDUOJOH-OAHLLOKOSA-N 401.528 4.766 0 40 HJAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4c(F)cccc4Cl)c(=O)c23)C1 1785001 DHZYUZGXPFCCSJ-LLVKDONJSA-N 405.926 4.845 0 40 HJAB C[C@H](CNC(=O)c1ccc(Cl)cc1Cl)NC(=O)c1ccc(Cl)cc1Cl 1995047 YEKXXOQQQFFNDR-SECBINFHSA-N 420.123 4.849 0 40 HJAB CCCCNC(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 2262448 WOVQHEGCERNOTF-MWLCHTKSSA-N 406.861 4.788 0 40 HJAB CCCCSc1nnc2n(-c3cccc(C)c3)c(=O)c3c4c(sc3n12)CCC4 2319305 NBWBJHZHUJFXLS-UHFFFAOYSA-N 410.568 4.784 0 40 HJAB O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)c1ccc(Cl)cc1 2336016 DMVRJTGKMZVVHI-UHFFFAOYSA-N 410.886 4.610 0 40 HJAB O=C(Cc1cccs1)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1 2494365 UUHRQMIROMBFPS-UHFFFAOYSA-N 414.571 4.674 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(F)cc1)N(c1ccccn1)C3=O 2703640 NFNLZTYYMHZTBX-NRFANRHFSA-N 400.409 4.694 0 40 HJAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl 3453359 FAXBNDHFAMQRNG-NSHDSACASA-N 420.252 4.536 0 40 HJAB COc1ccc(OC)c([C@H]2c3cccn3CCN2C(=S)Nc2cccc(C)c2)c1 4059446 IIQBXIMPAIVUDQ-QFIPXVFZSA-N 407.539 4.616 0 40 HJAB CCOC(=O)CC[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 4073929 ZFVNCIMEWULGEX-BLIZOZELSA-N 420.634 4.956 0 40 HJAB biogenic COc1ccc(CN2C(=O)c3ccccc3[C@H]2NC23CC4CC(CC(C4)C2)C3)cc1 4550466 JMSJETMTSGHQTI-YMPIYDPWSA-N 402.538 4.908 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2-n2cccc2)c1 4586090 CGSLDNGNJORKOG-UHFFFAOYSA-N 417.538 4.714 0 40 HJAB COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)nc12 5121694 UBBXIRKMLGRNOX-UHFFFAOYSA-N 419.550 4.975 0 40 HJAB O=c1nc(SCc2ccc(C(F)(F)F)cc2)c2c(n1Cc1ccco1)CCC2 5267923 LSOGBQZDEZNTSK-UHFFFAOYSA-N 406.429 4.684 0 40 HJAB Cc1ccccc1NC(=O)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 5626145 ZGKSGAIVWNLHRE-UHFFFAOYSA-N 416.456 4.605 0 40 HJAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N[C@H]1CCCc2ccccc21 6028912 PSJLEVCFYZBIAF-VLIAUNLRSA-N 418.522 4.892 0 40 HJAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc2ccccc2c1 6281893 IYIJHIRGVRIITH-HHHXNRCGSA-N 407.469 4.847 0 40 HJAB O=C(COC(=O)/C=C/c1sc2ccccc2c1Cl)Nc1cccnc1Cl 6607406 JYXGOWXJPWSTGS-BQYQJAHWSA-N 407.278 4.798 0 40 HJAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2cccs2)n1CC)c1ccccc1 7085006 XGIGYVIQLAROCM-QGZVFWFLSA-N 400.573 4.728 0 40 HJAB COc1ccc(CNC(=O)CSCc2c(Cl)cccc2Cl)cc1OC 7094374 XRHIDCKYEMQGKT-UHFFFAOYSA-N 400.327 4.560 0 40 HJAB CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 7928765 NQEHHBTZEAGACA-CABCVRRESA-N 401.890 4.821 0 40 HJAB COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2)C1=O 8159800 BTZACOJGZMLJSL-MHWRWJLKSA-N 404.285 4.694 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccccc1C(=O)c1cccs1 8855702 ZXABFAZGKJBZRS-UHFFFAOYSA-N 415.518 4.712 0 40 HJAB COc1ccccc1[C@H](CNC(=O)c1oc2cc(C)c(Cl)cc2c1C)N(C)C 9206437 WGJOOBHPEIXHSB-SFHVURJKSA-N 400.906 4.744 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1 9632866 YOAQALQFZLBHPL-MRXNPFEDSA-N 420.563 4.965 0 40 HJAB COc1ccccc1-c1nc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cs1 11450864 ARZFJKPATFKBFI-UHFFFAOYSA-N 417.416 4.539 0 40 HJAB Cc1ccc(CN2CCCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)CC2)cc1 12777112 FGQAQDAEJZQGDY-UHFFFAOYSA-N 423.557 4.690 0 40 HJAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCC[C@@H]2c2cccs2)cs1 12985745 BODNMNBFANWBTL-HXUWFJFHSA-N 409.580 4.906 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@@H](C)SCc2nc(-c3cccc(Cl)c3)no2)cc1 12986954 JNJQEMLCMBYWBG-CYBMUJFWSA-N 415.902 4.853 0 40 HJAB CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2ON1c1ccccc1 13752262 NJBXYNKCLWDUAR-MKWLTTDUSA-N 406.526 4.890 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(OC)c1 15008472 FLEMKGMKKPHZGG-CAOOACKPSA-N 407.850 4.733 0 40 HJAB CCOC(=O)c1ccc2nc(NC(=O)c3cc(-c4ccc(C)c(C)c4)on3)sc2c1 15669812 KULTXRNYPPVXFV-UHFFFAOYSA-N 421.478 4.997 0 40 HJAB Cc1c(C)n(-c2nc3ccccc3s2)c2ncn3nc(Cc4ccccc4)nc3c12 15842392 NFADFSRSEZVVGG-UHFFFAOYSA-N 410.506 4.886 0 40 HJAB COP(=O)(OC)c1nc(Cc2ccc(Cl)cc2)oc1NCc1ccc(C)cc1 16751423 QHXDWFOTHJCUJB-UHFFFAOYSA-N 420.833 4.951 0 40 HJAB Cc1cc(C)cc(Nc2nc(NC[C@@H]3CCCO3)nc3c2cnn3-c2ccccc2)c1 17010855 FRNBXZGZZARUNR-FQEVSTJZSA-N 414.513 4.767 0 40 HJAB O=C(NCc1c(-c2ccccc2)nc2n1CCS2)c1ccc(C(F)(F)F)cc1 17191474 SCIJNBPGOMTWIY-UHFFFAOYSA-N 403.429 4.605 0 40 HJAB Cc1nc(-c2cccc(NC(=O)c3ccc(I)cc3)c2)cs1 18824720 LYPMTGWREZEYHL-UHFFFAOYSA-N 420.275 4.975 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1 19688559 JBKNYGDMBRXFGH-HSZRJFAPSA-N 408.448 4.693 0 40 HJAB Cc1nn2c(nnc3c(=O)n(-c4ccc(Cl)cc4Cl)ccc32)c1-c1ccccc1 19818935 VLUXVYTZQCFWJA-UHFFFAOYSA-N 422.275 4.711 0 40 HJAB O=C(Nc1ccc(N2CCCCC2)nc1)c1cc(-c2cccnc2)nc2ccccc12 25064503 REXNMUQDIQCKTJ-UHFFFAOYSA-N 409.493 4.934 0 40 HJAB CN(C)[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccsc1 25330335 STALYDXOOINYOV-JOCHJYFZSA-N 416.550 4.634 0 40 HJAB O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cc2ccccc2c(=O)[nH]1 25669038 CZKKXNILYXXANB-VYFUWZELSA-N 406.485 4.555 0 40 HJAB COc1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c(OC)cc1Cl 27969611 JHWTZKMNVACJHP-UHFFFAOYSA-N 406.269 4.508 0 40 HJAB O=C(Nc1cccnc1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 32071110 GXNKXMGCHIHLGB-JOCHJYFZSA-N 403.526 4.905 0 40 HJAB COc1cc(C(=O)Oc2ccc3c(-c4ccccc4)noc3c2)cc(OC)c1OC 32103798 HMQBWWKUVGLKTN-UHFFFAOYSA-N 405.406 4.740 0 40 HJAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)n1 32578686 LBPYIVFUMPEWJR-UHFFFAOYSA-N 405.376 4.896 0 40 HJAB CN(C)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)CCCC3)on1)c1ccc(Cl)cc1 32622661 BICLBWDKSNZBFH-JOCHJYFZSA-N 423.944 4.907 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSCc1cc(=O)c2ccc(C)c(C)c2[nH]1 33064048 NKFWHTIBESVZMS-UHFFFAOYSA-N 416.930 4.679 0 40 HJAB Cc1cc(C(=O)NCc2ccccc2Cl)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616922 NVLCYRUQIJKZSD-UHFFFAOYSA-N 408.864 4.760 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1O 38205203 SUAPRTIICPPQPX-IUXPMGMMSA-N 407.850 4.820 0 40 HJAB Cc1cc(I)ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 38752581 FKVGSLMQHCTISL-NSHDSACASA-N 415.658 4.659 0 40 HJAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(Cn2ccnc2)cc1 38862061 GBLFNHRIBOLPCK-UHFFFAOYSA-N 420.365 4.901 0 40 HJAB C[C@H]1CCc2c(sc3nc([C@H](C)N4CC=C(c5ccccc5)CC4)[nH]c(=O)c23)C1 58143684 FSEMFGGOALFGIN-HOTGVXAUSA-N 405.567 4.960 0 40 HJAB COc1cccc(CN(C)[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)c1 58279472 DOAKTEUGRXTKCL-SFHVURJKSA-N 421.566 4.842 0 40 HJAB NC(=O)c1c(NC(=O)c2ccc(F)c(C(F)(F)F)c2)sc2c1CCCCC2 70004213 IBWXUUUDWJINAW-UHFFFAOYSA-N 400.397 4.526 0 40 HJAB CC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2CN(C)C[C@H](C)c2ccccc2)C1 72395274 PKBNUEFQKBVAND-GHTZIAJQSA-N 404.558 4.524 0 40 HJAB COc1ccc(Cl)cc1C(=O)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200125 MPWVUKVFPAIHQI-IAGOWNOFSA-N 402.878 4.638 0 40 HJAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)Nc1ccccc1C(F)(F)F 84501739 IYKGMJZCRDOSDX-UHFFFAOYSA-N 422.432 4.796 0 40 HJAB Cn1ccnc1SCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 96461064 SOZAHZGXGPQMLJ-JPDWGJOMSA-N 422.510 4.521 0 40 HJAB CCC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccc(Cl)cc1)N2 101011991 CLTCQNINLCUGES-KRWDZBQOSA-N 414.296 4.989 0 40 HJAB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@H]3C2=O)c(C)c1 102763454 HFOLDOQWPQYRAR-TZRRMPRUSA-N 412.489 4.663 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 222414878 RKFQUFNXEYTSCL-JOCHJYFZSA-N 412.599 4.809 0 40 HJAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(Br)cc3)s2)cc1 222645654 OCYMZKUWLAUIAO-LBPRGKRZSA-N 418.316 4.682 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)NC(C)(C)C)cc1 223212674 RLKWEDWAYWDYEJ-QHCPKHFHSA-N 424.585 4.658 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 223702306 CAAQMPDRQFXNRI-OAQYLSRUSA-N 414.977 4.647 0 40 HJAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(C(C)C)cc1 224362939 PVBZDXPPMKWQRS-XZOQPEGZSA-N 420.582 4.830 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 225098958 GGWYHODEDNNFCD-XMMPIXPASA-N 422.569 4.630 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NC[C@@H](C)c1ccccc1 225139651 VRNRHLOTUBYDOB-OSVNEOKWSA-N 404.535 4.747 0 40 HJAB COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2cccc3ccccc23)cc1 408972866 WLNXPQDXUIMUFZ-UHFFFAOYSA-N 414.461 4.718 0 40 HJAB O=C(Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1)Nc1cccc2ccccc12 409129682 VWEQEHWATDAIRO-UHFFFAOYSA-N 416.462 4.747 0 40 HJAB O=C(CCCCc1cccc(O)c1)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 1632823462 XCHMNRWIXNYYBL-INIZCTEOSA-N 407.341 4.807 0 40 HJAB CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](Cc3cccc(-c4cnc5ccccn45)n3)[C@H]2C1 2037838690 WHUCQXWVGWCLSN-QWFCFKBJSA-N 418.541 4.832 0 40 HJAB CCOc1ccc([C@H](CCc2ccccc2)NC(=O)c2cccnc2)cc1OCC 668036 KDPRYRWYAYSOLS-QFIPXVFZSA-N 404.510 4.983 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 849795 MLCAHVRSEWISEC-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n12 929776 HRUMGZSIPHRNKG-UHFFFAOYSA-N 419.554 4.605 0 40 HJAB Cc1cccc(C)c1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccnc1 1379969 CABBFGZKXPXCEW-HSZRJFAPSA-N 417.509 4.738 0 40 HJAB C[C@@H]1CCc2c(sc3ncn(CC(=O)Nc4cc(Cl)cc(Cl)c4)c(=O)c23)C1 1787511 CRZCGSSJEHCDQW-SNVBAGLBSA-N 422.337 4.528 0 40 HJAB CCCCc1nc2sc3c(N4CCOCC4)nc(SC)nc3c2c2c1CCC2 2368188 PNDMREHETCYNIU-UHFFFAOYSA-N 414.600 4.629 0 40 HJAB Cc1sc2nc(COC(=O)C3c4ccccc4Oc4ccccc43)[nH]c(=O)c2c1C 2623241 URGVQJMYDJQZSZ-UHFFFAOYSA-N 418.474 4.582 0 40 HJAB O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1c(Cl)cccc1Cl 3349572 XONMLTOAOHHQJX-UHFFFAOYSA-N 409.294 4.527 0 40 HJAB COc1ccc(Cc2nnc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)s2)cc1 3633882 VZHKXTMFDZHAPQ-UHFFFAOYSA-N 417.918 4.587 0 40 HJAB O=C1C=C(N2CCC(CCc3cccc(F)c3)CC2)C(=O)N1c1ccc(Cl)cc1 4772638 WZHCPIWDPPLPTG-UHFFFAOYSA-N 412.892 4.581 0 40 HJAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)NCCc1ccccc1 5288218 PFPZSYXLPYKEJN-UHFFFAOYSA-N 405.548 4.809 0 40 HJAB C[C@@H](NC(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O)c1ccccc1 5305465 ZXEPYXIVUUSQQY-MRXNPFEDSA-N 417.896 4.589 0 40 HJAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 5359692 LCQAEQONPALOSD-UHFFFAOYSA-N 407.326 4.922 0 40 HJAB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](Nc3ccccc3)[C@H]2C)OCO4)c1O 5551686 BEOMZXKHEQYFOO-BEYHJKFUSA-N 405.450 4.728 0 40 HJAB C[C@@H](Nc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1-c1ccccc1 5827415 NXCWZBFPCIGDND-LJQANCHMSA-N 401.510 4.629 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)/C(=C/c1ccco1)NC(=O)c1ccccc1 6222723 XQNLTAAUVLYREK-AQTBWJFISA-N 400.356 4.708 0 40 HJAB Cc1ccc(N2C(=O)N(Cc3cccc(F)c3)c3ccccc3S2(=O)=O)c(C)c1 7615994 NDVHHPMKGMJOFZ-UHFFFAOYSA-N 410.470 4.778 0 40 HJAB Cc1csc(N(C(=O)COc2ccc3c(C)cc(=O)oc3c2)c2ccccc2)n1 7688876 HWUGESJIFRZVFF-UHFFFAOYSA-N 406.463 4.610 0 40 HJAB COC(=O)c1c(CN2CCC[C@H]2c2ccc(OC)cc2OC)nc2ccccc2c1C 7741600 ULBOGVBVDIIZLU-QFIPXVFZSA-N 420.509 4.684 0 40 HJAB COc1ccc(CNC(=O)Cn2c(-c3ccc(C)cc3)csc2=S)cc1OC 7777173 LNOJHWWOELMOIF-UHFFFAOYSA-N 414.552 4.588 0 40 HJAB O=C(CN(C1=NCCCS1)c1ccc(Br)cc1)c1ccc(F)cc1 8418607 RAMCOWSFOHDJMR-UHFFFAOYSA-N 407.308 4.770 0 40 HJAB O=C(CSc1ncnc2sccc12)N1c2ccccc2OC[C@H]1c1ccccc1 9253749 HCTSOGYOXKHXRH-SFHVURJKSA-N 419.531 4.950 0 40 HJAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(Br)o1 9708236 FEQNUVTUXBVTKW-HNNXBMFYSA-N 417.328 4.637 0 40 HJAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1ccc(OC)cc1 10022816 CMYOKMIVBUOWLZ-UHFFFAOYSA-N 413.520 4.941 0 40 HJAB COc1ccc(CN(C)CC[C@]2(c3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)cc1OC 12296218 OJEZOEWJJBKOBO-UZINWLIJSA-N 410.602 4.824 0 40 HJAB biogenic Cc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2ccccc2)n2ccccc12 12342160 RSVLQGFNGIXBFZ-UHFFFAOYSA-N 403.869 4.967 0 40 HJAB COc1ccc(-c2nc(CN3CCN(c4nc5ccccc5s4)CC3)cs2)cc1 12815812 ZRNVHMJJKYKUTB-UHFFFAOYSA-N 422.579 4.751 0 40 HJAB NC(=O)N[C@H](CC(=O)NCc1cccc(Cl)c1)c1cccc(Oc2ccccc2)c1 13098782 CYMXHYOTUGFNCL-OAQYLSRUSA-N 423.900 4.548 0 40 HJAB CCCCC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)N(C(C)C)c1ccccc12 13635269 NOSGXUMOTHGFBK-AREMUKBSSA-N 415.537 4.741 0 40 HJAB O=C(c1ccc(COc2ccccc2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 14251053 XVEAYSVDHDVMEQ-UHFFFAOYSA-N 420.553 4.520 0 40 HJAB O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1cccc(F)c1 15880699 LQPTYWWSJINNON-UHFFFAOYSA-N 404.854 4.761 0 40 HJAB COc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 15880705 QCEKFHCSWFSPPX-UHFFFAOYSA-N 416.890 4.630 0 40 HJAB O=C(Cc1ccccc1)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 17092044 WFCNPJSHDLSZOS-UHFFFAOYSA-N 419.956 4.843 0 40 HJAB COC(=O)C1=C(C(=O)OC)[C@@H](c2ccccc2)N(c2ccccc2)[C@H]1c1ccccc1 17185825 POQQDNGGYUNLCD-PSWAGMNNSA-N 413.473 4.632 0 40 HJAB O=C(N[C@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1)c1cccc(F)c1 19348871 DANQPOBSUIBBIM-DEOSSOPVSA-N 421.491 4.743 0 40 HJAB CCc1nnsc1C(=O)N1CCC[C@H]1c1cc(Cc2cccc(C)c2)cc(C)n1 19692051 XJFNTVNIMSSQTO-NRFANRHFSA-N 406.555 4.680 0 40 HJAB COc1ccc(-n2ncc(C(=O)N3CC=C(c4ccccc4)CC3)c2-n2cccc2)cc1 22569435 RDEHYZZZHIEDJG-UHFFFAOYSA-N 424.504 4.601 0 40 HJAB COc1c(Cl)cc(C(=O)OCC(=O)c2ccccc2)cc1OCc1ccccc1 33659738 YAHFYYICNAMHLQ-UHFFFAOYSA-N 410.853 4.967 0 40 HJAB C[C@H]1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c2ccccc2S1 36619862 GPXWOHQCGPVSSR-AWEZNQCLSA-N 400.931 4.998 0 40 HJAB COc1ccc(NC(=O)Nc2nc3c(Br)cccc3s2)cc1OC 38671446 GPJLNNWKSUXZRR-UHFFFAOYSA-N 408.277 4.720 0 40 HJAB COc1ccc(C(=O)N[C@@H](C)Cc2ccc(-c3ccccc3)cc2)c(OC)c1OC 40145884 PBORKEBRLJXGGD-KRWDZBQOSA-N 405.494 4.740 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3F)cc2Cl)cc1 44885942 BTOJFWYCLJXAOA-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CC(C)(C)N1CCCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC1 58055633 YYDKSBIOERXBAU-UHFFFAOYSA-N 422.598 4.606 0 40 HJAB O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1cc(Cl)ccc1F 67293414 UAQILPIECBKZDV-DAFNUICNSA-N 409.804 4.811 0 40 HJAB CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72214434 QVPQNDSZCPSKRU-LJQANCHMSA-N 411.502 4.927 0 40 HJAB O=C(c1cnccn1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349206 GYIXLORPFVWJDT-MRXNPFEDSA-N 412.415 4.577 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cc(F)c(F)c(F)c2)S1 96117219 AKPHFWUMNXHGHS-BDJLRTHQSA-N 411.449 4.610 0 40 HJAB Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 103716492 WWGXNPKSYYUYQO-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB CCOc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 108050675 VBGNCHSOIDTUKD-HSZRJFAPSA-N 422.506 4.705 0 40 HJAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 113938344 ZFCCHSGKERCBTJ-LJQANCHMSA-N 422.550 4.620 0 40 HJAB COc1cc2ccccc2cc1C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219396686 NTGBPQADJCUWRR-UHFFFAOYSA-N 407.857 4.824 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 222585826 FBFBZSJFAZERFN-JOCHJYFZSA-N 414.977 4.913 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)cc1 223844607 HSVLHPYSKREUBI-UHFFFAOYSA-N 416.587 4.765 0 40 HJAB COc1cc(C)c(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)cc1C(C)C 224064044 NYHKGZQKURHQTR-UHFFFAOYSA-N 419.587 4.825 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(-n2ccnc2C)cc1 224914739 LQUJUEDJYWBBCN-DEOSSOPVSA-N 403.526 4.533 0 40 HJAB CC(C)[C@@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 225206615 HLHCXDARBWAKLE-IVZQSRNASA-N 416.974 4.889 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 225491916 HLLRRKJWBHWPGG-KKSFZXQISA-N 418.940 4.744 0 40 HJAB CC(C)CC(=O)N1CCC[C@@H]1c1nc(COc2ccccc2Cl)c(C(=O)O)s1 257303050 SFOOOXIEIGRZEV-OAHLLOKOSA-N 422.934 4.783 0 40 HJAB Cc1cccnc1Nc1cncc([C@H]2CCCN2C(=O)CCc2cccc(Cl)c2)n1 257304838 SNJFJGQBCKPFAI-HXUWFJFHSA-N 421.932 4.873 0 40 HJAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(C)=O)ccc1OC(C)C 257335605 YLAQOISWPKBFDT-RUGFMQOOSA-N 401.547 4.501 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1NC(=O)c1ccc(C)cc1 408557990 POEIXBTUYWYMRQ-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 408585554 ZPAXLUVTJKLYEV-UHFFFAOYSA-N 421.950 4.857 0 40 HJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(C)ccc2OC)cc1 408675364 HVKNGNTXCXCBRA-UHFFFAOYSA-N 414.461 4.753 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(C)cc2)cc1 408698771 PJZJIFKDNCUGOB-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB COC1CCC(Cc2ccc(-c3ccccc3)cc2)(C(=O)NC2CCN(C)CC2)CC1 643550833 OOSRNKZBBRLRMU-UHFFFAOYSA-N 420.597 4.682 0 40 HJAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccc(N(C)C)cc4)c23)C1 928932 ZBTBTOJYHMRYIM-CYBMUJFWSA-N 412.584 4.613 0 40 HJAB COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4)=NN32)cc1OC 1453758 SKJILRQZZQXYPF-NBGIEHNGSA-N 416.477 4.955 0 40 HJAB CCOc1ccc(-n2c(N)c(C(=O)Nc3ccccc3)c3nc4ccccc4nc32)cc1 2304532 CHPDLBBJAPSIAG-UHFFFAOYSA-N 423.476 4.807 0 40 HJAB O=C(CN1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 2424713 ARYCMISIZKOYJP-YMPZKCBVSA-N 416.924 4.786 0 40 HJAB C[C@H](OC[C@@H](O)CNCCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 2654405 FUEIDYCCHGOKMA-UGSOOPFHSA-N 402.749 4.918 0 40 HJAB CCc1c(C)sc2ncn3nc([C@@H](C)n4nc(C(F)(F)F)cc4C4CC4)nc3c12 2789550 IKXILGDLDSHKDB-SECBINFHSA-N 420.464 4.912 0 40 HJAB O=C(COC(=O)/C=C/c1cccc(Cl)c1Cl)N[C@H]1CCCc2ccccc21 3397120 PGMOJCXFFOXAFQ-DXRVJIQQSA-N 404.293 4.744 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc2c(c1)CCC2 3408556 XGRZOMCWQXRYSQ-UHFFFAOYSA-N 416.506 4.747 0 40 HJAB COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CSC3)c1OC 4176165 YTWDHGAQZQXUME-UHFFFAOYSA-N 409.511 4.505 0 40 HJAB O=C(CN1CCC(n2cnc3ccccc32)CC1)Nc1ccc(Cl)c(Cl)c1 4858269 RCEPZOGSNMSVQF-UHFFFAOYSA-N 403.313 4.619 0 40 HJAB COc1cc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)ccc1OC(F)F 5127581 ZXPXWNZEIUWNCC-MDWZMJQESA-N 404.438 4.629 0 40 HJAB Cc1cccc(C)c1Nc1nnc(SCC(=O)NCc2ccc(Cl)cc2)s1 5657455 BYFDIBLASLZJNP-UHFFFAOYSA-N 418.975 4.960 0 40 HJAB O=S(=O)(c1ccc(SCc2nc3ccccc3s2)nc1)N1CCCCCC1 5702562 VQRUWVQTQJEKSK-UHFFFAOYSA-N 419.597 4.548 0 40 HJAB COc1cccc(-c2nc(CSc3nnc(-c4ccco4)n3C)cs2)c1OC 5865039 DSVYVRFJQMBXCM-UHFFFAOYSA-N 414.512 4.508 0 40 HJAB COc1ccc(CC(=O)N(Cc2nc(-c3cccc(C)c3)no2)C2CCCCC2)cc1 6764577 DSGHOTNPGLRVDA-UHFFFAOYSA-N 419.525 4.958 0 40 HJAB COc1ccc(C(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1F 6972535 NOLXTULRPRTDEU-UHFFFAOYSA-N 418.424 4.521 0 40 HJAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@H]1c1ccccc1F 8023026 BAZFFWJLHBVZSE-YAOQVBECSA-N 423.484 4.619 0 40 HJAB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1 8383412 DFEIXLRUDSJTTL-UHFFFAOYSA-N 418.232 4.878 0 40 HJAB COc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@]3(O)C(F)(F)F)n2)cc1 8711505 JJBIDKQMUQQHFY-IBGZPJMESA-N 419.428 4.684 0 40 HJAB Cc1cnc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)s1 9096082 RWBZCEMAGBCFMK-UHFFFAOYSA-N 419.535 4.701 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)OCO3)n1-c1ccccc1 9128265 NSXMAJXUOMAQTA-UHFFFAOYSA-N 419.462 4.539 0 40 HJAB COc1ccc(-c2nc(CSc3nc(-c4ccccc4)cn3N)cs2)cc1OC 9466960 SNWONTNGFILLSZ-UHFFFAOYSA-N 424.551 4.697 0 40 HJAB CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 10331743 MLVCJRJCPLYYRK-UHFFFAOYSA-N 414.571 4.556 0 40 HJAB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2cc(C)ccn2)cc1OC 10430678 TWHBJWGRZCXQTA-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB Cc1nn(C[C@H](O)Cn2c(C)c(C)c3cccc(Cl)c32)c(C)c1Br 11027325 VRIUSDFCVHWIPP-CQSZACIVSA-N 410.743 4.548 0 40 HJAB CC[C@@H](C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1F)c1ccccc1 11693534 KUMJEKRCLODNIX-QGZVFWFLSA-N 404.445 4.676 0 40 HJAB Cc1nc(COc2ccccc2C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)no1 12581720 KOLRQFUWMAGMQP-NSHDSACASA-N 406.269 4.755 0 40 HJAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccc2c(c1)OCCO2 12874842 UMVXJIOBSKRDMZ-UHFFFAOYSA-N 420.412 4.781 0 40 HJAB CCS(=O)(=O)c1ccc2oc(Nc3ccc(Br)cc3Cl)nc2c1 12951208 WUCXTYRKMABPFO-UHFFFAOYSA-N 415.696 4.781 0 40 HJAB COc1ccc(-c2cc3ncnc(Sc4nnc(NC5CC5)s4)c3s2)cc1 15116430 SWVCCTYDSFJARU-UHFFFAOYSA-N 413.553 4.944 0 40 HJAB CCc1nc2sc([C@H](c3ccccc3Cl)N3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 16690097 KMKCQFCXEQKKPF-XNJGSVPQSA-N 404.967 4.780 0 40 HJAB Cc1nc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Br 17091742 UPWGOFGPAXZCJL-UHFFFAOYSA-N 419.131 4.586 0 40 HJAB O=C(C1CCC1)N1CC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19294144 ARBOLYNKNJEAKD-SFHVURJKSA-N 417.488 4.537 0 40 HJAB O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3Cl)CC[C@@H]21 19349213 YPKKYOIQCDURHM-ZJOUEHCJSA-N 400.975 4.628 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2sc(-c3ccccn3)nc2C)c1 19561012 XXGJBNBITNIOHC-SFHVURJKSA-N 409.511 4.508 0 40 HJAB COCCn1cc(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c2ccccc21 19594199 QXMIOVCNHSCXRF-UHFFFAOYSA-N 421.472 4.588 0 40 HJAB C[C@@H](C(=O)NCc1ccccc1N1CCCC1)n1c(C(F)(F)F)nc2ccccc21 19718445 AXAFFEIQGFPLFT-HNNXBMFYSA-N 416.447 4.533 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(C)c2C)sc2c1CCCC2 20046115 CUTOXJZHZQVONL-HNNXBMFYSA-N 401.528 4.826 0 40 HJAB CC[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(OC)cc1 20458217 BWSLGFOTVWPOHG-INIZCTEOSA-N 412.711 4.757 0 40 HJAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N(C)Cc1ccc(Cl)c(Cl)c1 22010772 MSZXEMOAWUAAHP-GFCCVEGCSA-N 403.317 4.697 0 40 HJAB Oc1c([C@H](c2cccs2)N2CCC(Cc3ccccc3)CC2)sc2ncnn12 22610149 HAOZDZYUCQJXDS-SFHVURJKSA-N 410.568 4.602 0 40 HJAB Oc1c([C@@H](c2cccs2)N2CCC(Cc3ccccc3)CC2)sc2ncnn12 22610152 HAOZDZYUCQJXDS-GOSISDBHSA-N 410.568 4.602 0 40 HJAB CCCCOc1ccc(C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1 24756698 HCLMQIQHPPJVHA-QFIPXVFZSA-N 408.542 4.584 0 40 HJAB Cc1cc(C)n(-c2ccccc2NC(=O)Cc2csc(Cc3ccccc3)n2)n1 25014653 LUCUDNQYRJFHPW-UHFFFAOYSA-N 402.523 4.718 0 40 HJAB COc1ccc(Cc2nnc(S[C@H](C)c3nnc(-c4ccc(OC)cc4)o3)o2)cc1 27717214 BDILAQAEHOGJLS-CYBMUJFWSA-N 424.482 4.581 0 40 HJAB Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)cc(=O)c2c1 28289018 JKQUCPHEGWVBLH-FQEVSTJZSA-N 424.928 4.630 0 40 HJAB Cc1noc2ncc(C(=O)Oc3ccc(NC(=O)c4ccccc4Cl)cc3)cc12 30939039 MTJWBFIUXBKBIB-UHFFFAOYSA-N 407.813 4.656 0 40 HJAB COc1ccc(-c2nn3c(c2C)N=C(O)C[C@@H]3C(=O)Nc2ccccc2Cl)cc1 32074641 VPTFROOYCKTPHW-QGZVFWFLSA-N 410.861 4.692 0 40 HJAB CCCOc1nc2ccccc2nc1N1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 33088356 GKXOUDUHPDHFPN-GOSISDBHSA-N 418.541 4.512 0 40 HJAB Cc1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1Cl 33088674 RHVNCIAWDQCLTJ-UHFFFAOYSA-N 412.898 4.706 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(CN2CCOCC2)cc1 38372212 LYKZOQAALVQUEA-UHFFFAOYSA-N 413.930 4.548 0 40 HJAB Cc1ccccc1N1C(=O)/C(=C/c2ccccc2OCc2ccccn2)N=C1S 40040697 LAGMZNHHWLPWCI-RGEXLXHISA-N 401.491 4.643 0 40 HJAB O=C1C[C@@H](C(=O)Nc2ccc3[nH]c(-c4cc(F)ccc4F)nc3c2)c2ccccc2N1 40157734 CYZXJPVZZKJGHR-OAHLLOKOSA-N 418.403 4.573 0 40 HJAB O=C(NCCc1ccccc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 40287485 ZWFOMWSPSUVFOZ-DEOSSOPVSA-N 416.565 4.840 0 40 HJAB C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)c1nc(C(C)(C)C)no1 44089194 RWBIHNNLVWJSCX-STQMWFEESA-N 418.542 4.563 0 40 HJAB CSc1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)c1 48986810 PBCYDAAGYUXAAK-UHFFFAOYSA-N 418.565 4.547 0 40 HJAB Cn1cc(CC(=O)N2CCC(Oc3nc4c(F)cccc4s3)CC2)c2ccccc21 49432177 YXHYVEGVYOMQLU-UHFFFAOYSA-N 423.513 4.540 0 40 HJAB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nn12 57316903 NRILEYIUSXZEKS-UHFFFAOYSA-N 405.527 4.965 0 40 HJAB O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)Nc1cc(F)ccc1Cl 57486604 SUVLTSOZZYATOW-UHFFFAOYSA-N 414.799 4.775 0 40 HJAB O=C(NC1CCCCC1)[C@H]1CCCN(C(=O)c2cccnc2Sc2ccccc2)C1 57994204 VAMKTMLWAYXBBW-SFHVURJKSA-N 423.582 4.534 0 40 HJAB Fc1cccc(-c2nnc([C@@H]3CC34CCN(c3ncnc5ccccc35)CC4)o2)c1 71890514 JBKGHCBCTSLRCO-SFHVURJKSA-N 401.445 4.593 0 40 HJAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 72355869 SPQSIXNDKHBPEY-HXUWFJFHSA-N 403.873 4.651 0 40 HJAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)C1CCN(Cc2cccc(F)c2)CC1 72399248 NBYORGZCXSFJBM-RUZDIDTESA-N 409.549 4.871 0 40 HJAB C[C@H](C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)n1ccnc1-c1ccccc1 89598235 ZZWPSALMPPDWEQ-MRXNPFEDSA-N 405.889 4.648 0 40 HJAB CC[C@H]1CCCN(C(C)(C)CNC(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)C1 95960023 DQPBNQAYCKPZGS-YRVHBCJASA-N 421.651 4.756 0 40 HJAB COc1ccc(CN2CCC3(CC2)C(=O)N(Cc2ccccc2)c2ccccc23)cc1 96052533 VEDDINNYUZGQMY-UHFFFAOYSA-N 412.533 4.776 0 40 HJAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 106735308 NZGRNCHQQBYNHV-MFOYZWKCSA-N 404.850 4.674 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](O)([C@@H](C)OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 118928452 RHKDPTWPOLFLCS-OIQLIPLDSA-N 418.574 4.564 0 40 HJAB CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cccc(C)c1)S(C)(=O)=O 220509334 HMIWNPGSWPPTSY-FQEVSTJZSA-N 402.560 4.610 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(O)c(Br)c3)N21 222665765 IHYPZFSBNFQPAP-CSMYWGQOSA-N 404.333 4.529 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 223994865 VFAZSJYOHZXDDB-UHFFFAOYSA-N 416.499 4.601 0 40 HJAB Cc1cccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NCC(C)C)c1 224166026 YHDMKLZWFNEITI-NRFANRHFSA-N 424.585 4.687 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 224198010 SZCBXNOJNJBOPU-DEOSSOPVSA-N 406.570 4.712 0 40 HJAB COc1ccc(OCc2cc(C(=O)Nc3ccc(OC)cc3OC)ccc2OC)cc1 224267237 JIMWZFVVNUWLQO-UHFFFAOYSA-N 423.465 4.552 0 40 HJAB O=C(NCCOc1ccc(F)cc1)c1ccc(CN2CCCc3ccccc32)cc1 224330273 FPAIZHPZEXIFPY-UHFFFAOYSA-N 404.485 4.587 0 40 HJAB Cc1cccc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)c1 224702205 YZIUJTQCCHUWGM-OAQYLSRUSA-N 422.569 4.548 0 40 HJAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@@H](C)C1 225662781 UBNRRRAXCYOQDU-HYBUGGRVSA-N 402.579 4.865 0 40 HJAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 225670367 MLHLWPUIJVPTBQ-LJQANCHMSA-N 400.522 4.745 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(OC)c(Cl)c1)CC(C)(C)O2 225682171 QNLOZVJDUVELQU-INIZCTEOSA-N 406.935 4.946 0 40 HJAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccccc1Br 225808115 ZIPHKNVUAZONID-UHFFFAOYSA-N 406.667 4.724 0 40 HJAB C[C@@H](NC(=S)Nc1nc(Cl)cc(N2CCc3ccccc3C2)n1)c1ccccc1 225964089 IINUBTWMTCNMRX-OAHLLOKOSA-N 423.973 4.740 0 40 HJAB NC(=O)CCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 226342166 ICMXRMJHOCMIGB-UHFFFAOYSA-N 403.103 4.753 0 40 HJAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)COc3ccc(C)cc3)o2)c1 257310187 UEBCYQQJQGKWIB-QHCPKHFHSA-N 420.509 4.715 0 40 HJAB CCOc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 408625240 IPLLJJJFNBXDNX-UHFFFAOYSA-N 415.486 4.629 0 40 HJAB O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc2ccccc2c1 408628922 YEHKXIVMEBOWHA-UHFFFAOYSA-N 403.276 4.868 0 40 HJAB O=C(c1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)nc1)N1CCC[C@@H]1C1CCCC1 563671348 URXJUJPIDVCWMH-DHIUTWEWSA-N 409.574 4.671 0 40 HJAB CC(C)CC(=O)N1CCCCCCN(C)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21 643582411 YIYYPVPIZYQWBX-GGAORHGYSA-N 414.590 4.897 0 40 HJAB O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1cc2ccc(C(F)(F)F)cc2[nH]1 1148788017 ZSWKFEULGIDEKQ-HNNXBMFYSA-N 407.823 4.849 0 40 HJAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)Nc1ccc(Cl)c(Cl)c1 1565524207 FYWRYGFREMNGIF-UHFFFAOYSA-N 419.308 4.527 0 40 HJAB COc1ccccc1[C@H]1CC(c2ccc(C)cc2)=NN1S(=O)(=O)c1ccccc1 710113 UDFONKSIVYGTHL-JOCHJYFZSA-N 406.507 4.544 0 40 HJAB Cc1cc2ccccc2nc1SCC(=O)Nc1nc2c(s1)CC(C)(C)CC2=O 902903 YYRNVQTVTSEZFW-UHFFFAOYSA-N 411.552 4.886 0 40 HJAB Cc1cc(=O)oc2c(C)c(OCCCOc3ccc4c(C)cc(=O)oc4c3C)ccc12 1634397 VYEHRAYYXSMDJC-UHFFFAOYSA-N 420.461 4.981 0 40 HJAB Cc1c(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)n(-c2ccccc2)n1C 1738331 IDMDGVXCUAALSH-UHFFFAOYSA-N 424.810 4.801 0 40 HJAB Cc1ccc(NC(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)cc1C 2253130 NCYBHWYUYRAVNL-UHFFFAOYSA-N 411.465 4.677 0 40 HJAB Cc1ccc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c1 2421863 JLZZEKIBXHLLDH-UHFFFAOYSA-N 410.524 4.853 0 40 HJAB O=S(=O)(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc2ccccc2c1 3271341 KDZDCPZQKAOANI-UHFFFAOYSA-N 418.522 4.626 0 40 HJAB COc1cc2c(cc1NC(=O)[C@H]1CC(=O)N(Cc3ccccc3)C1)oc1ccccc12 3364883 CHHNBTJLNDNKCL-KRWDZBQOSA-N 414.461 4.582 0 40 HJAB COC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 3658696 UBYMGLYLFMEOSF-CQSZACIVSA-N 407.470 4.880 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 3850317 VCWDOHJFKGOMRJ-FFRSVBDKSA-N 402.575 4.983 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1 4087855 KYZVZQPKMHGYCC-UHFFFAOYSA-N 413.524 4.553 0 40 HJAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 4109451 YCNIZUDARCJRGU-UHFFFAOYSA-N 407.558 4.685 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 4389748 GUYARDYVEODDND-CALCHBBNSA-N 423.538 4.547 0 40 HJAB O=C(Nc1ccccc1Cl)/C(=C\c1ccco1)NC(=O)c1ccc(Cl)cc1 4611134 HHWYEAJXLOUTML-LDADJPATSA-N 401.249 4.996 0 40 HJAB CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 4715748 RDLMHPQQKYHADS-URXFXBBRSA-N 401.466 4.731 0 40 HJAB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc(Cl)cc1 4739311 HDEMGCJFSQKHJJ-UHFFFAOYSA-N 419.912 4.555 0 40 HJAB COc1ccc(C2=Nn3c(nnc3-c3ccc(C(C)(C)C)cc3)SC2)cc1OC 5520274 MUAQRRNRAKMUHS-UHFFFAOYSA-N 408.527 4.618 0 40 HJAB Cc1cc(Cl)ccc1OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 6289149 KDZZWRBVMXFIIA-GASCZTMLSA-N 421.946 4.534 0 40 HJAB Cc1ccc(C)c(C(=O)CCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1 6431595 OXKMXWJRMSBOHO-UHFFFAOYSA-N 421.324 4.670 0 40 HJAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 6478205 IZHZJUWXMBZZBY-UXBLZVDNSA-N 409.902 4.775 0 40 HJAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Br)c1 6752915 FRRWPMSCUKPWTA-LJQANCHMSA-N 412.287 4.500 0 40 HJAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccco2)[C@H]1c1cccs1 6875790 UYIQNKDFHFCARH-LEWJYISDSA-N 408.523 4.594 0 40 HJAB Cn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 7180415 LTDIFEPZYZYDRV-FQEVSTJZSA-N 420.582 4.892 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 8168682 WIAHRTWXPPMTRU-UHFFFAOYSA-N 410.857 4.862 0 40 HJAB Cc1ccccc1-c1noc([C@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)n1 8570281 RCIIBURYNCFBHQ-OAQYLSRUSA-N 419.506 4.724 0 40 HJAB Cc1n[nH]c(S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)O)n1 8667063 CSPCBMRFIAQQRW-YVLHZVERSA-N 401.875 4.563 0 40 HJAB COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1OC 9135059 IZIQHMIJEGOGFD-UHFFFAOYSA-N 418.449 4.551 0 40 HJAB Cc1ccccc1-n1cnnc1SCC(=O)N[C@@H](c1ccccc1)c1cccs1 9208452 UVUMSTRRXBMRSD-NRFANRHFSA-N 420.563 4.635 0 40 HJAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 9257562 QCYMXAZNUBDLQX-HXUWFJFHSA-N 423.513 4.915 0 40 HJAB CCc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(OC)cc3)c3ccccn23)cc1 9316625 VIYNNIZUBRBQEE-UHFFFAOYSA-N 413.477 4.576 0 40 HJAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C)cc1 9376404 ABKPCYDVIZBXCU-QGZVFWFLSA-N 411.354 4.792 0 40 HJAB COc1ccc(CCNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)cc1OC 9597889 KOGHSVXCUIGFPM-UHFFFAOYSA-N 421.280 4.638 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)NCCCCCc1nc(-c2cccs2)no1 9930020 VPRRWISORIYGQD-UHFFFAOYSA-N 422.510 4.904 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)n3ncnc3N2C(=O)c2ccccc2)cc1 10060327 VMZVNQDGAGWEKX-RPWUZVMVSA-N 424.504 4.976 0 40 HJAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N(Cc1ccc(F)cc1)C1CC1 10109530 LVYDZPFPGCJMCF-UHFFFAOYSA-N 412.468 4.878 0 40 HJAB CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 10215825 RBODANZUSHIBEF-UZUQRXQVSA-N 404.422 4.649 0 40 HJAB Cc1cn2c(/C=C/C(=O)O[C@H](C)C(=O)c3c(C)[nH]c4ccccc34)c(C)nc2s1 10727552 BJALZRAJJBHLMP-BOLDSZDNSA-N 407.495 4.630 0 40 HJAB C[C@@H]1CCc2c(sc3ncnc(N[C@H](c4ccccc4F)c4nccn4C)c23)C1 12550390 GDRMSFOPLQXULJ-BFUOFWGJSA-N 407.518 4.890 0 40 HJAB COc1ccc(-n2cnn(CN(C)[C@@H](C)c3nc4ccccc4s3)c2=S)cc1 12551309 NHGBHZKUGGTQGA-AWEZNQCLSA-N 411.556 4.672 0 40 HJAB CC(C)n1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nc2ccccc2c1=O 12983493 JFFRYWOMVWJQAP-NRFANRHFSA-N 421.566 4.823 0 40 HJAB CC1(C)C[C@@H](NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2O1 13673858 UJMNPOCJHVYEBE-MRXNPFEDSA-N 400.327 4.715 0 40 HJAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc(C)c1Cl 13684213 GWIGKIQMFXYCKX-UHFFFAOYSA-N 422.912 4.904 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccccc1OCc1ccccc1 13687193 MTWBXFKRDDUKGV-UHFFFAOYSA-N 400.478 4.754 0 40 HJAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 13725778 IRHLANQBLGPXFO-UHFFFAOYSA-N 412.942 4.896 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 13750934 MUTCSHDRYWFKDV-SDHOMARFSA-N 420.468 4.891 0 40 HJAB COc1ccc(-c2nc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)sc2C)cc1 14234863 SOEAGMTXQZFFON-QGZVFWFLSA-N 421.522 4.657 0 40 HJAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)/C=C/c2ccco2)c1C 14405633 XECYMSHCLBQAFG-OUKQBFOZSA-N 406.486 4.797 0 40 HJAB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2Oc2ccccc2)c1 15963671 QSBZMZJYYGPPCM-UHFFFAOYSA-N 401.871 4.788 0 40 HJAB Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1 17041745 OOCANOGDFMQUJE-UHFFFAOYSA-N 418.518 4.562 0 40 HJAB O=C(Nc1ccc(I)cn1)c1ccc(-c2cccc(Cl)c2)o1 17094107 ZWAOCHICUCSLNX-UHFFFAOYSA-N 424.625 4.852 0 40 HJAB Cn1c(SCc2ccccc2F)nc2c(sc(=S)n2-c2ccccc2)c1=O 17144326 RVLZWDJVMQGILU-UHFFFAOYSA-N 415.540 4.947 0 40 HJAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)CC3CCCCC3)C1)N2 19127657 BHDMDEHZGPMHCA-OKZBNKHCSA-N 412.500 4.688 0 40 HJAB FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CCCN3C[C@@H]3CCOC3)nn12 19344177 UQQTWWUFYFFZMD-BBRMVZONSA-N 422.476 4.650 0 40 HJAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1Cl)c1cc(-c2ccco2)on1 19349761 BXLFBCOZXOHGSW-QGZVFWFLSA-N 422.872 4.640 0 40 HJAB Cc1cccc(OC2CCN(C(=O)CCc3nc4cc(Cl)ccc4n3C)CC2)c1 19663197 PUAWJRHHPRZADJ-UHFFFAOYSA-N 411.933 4.538 0 40 HJAB NC(=O)c1cccc(-c2ccc(C3CCN(Cc4ccnc5ccccc45)CC3)nc2)c1 19689080 BAVYLSLRRJZCDQ-UHFFFAOYSA-N 422.532 4.775 0 40 HJAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)c2ccccc2)n1 19690445 FMWRANBIBQMHFD-HXUWFJFHSA-N 406.917 4.840 0 40 HJAB CC(=O)N[C@H]1CCO[C@@H](c2cccc(NC(=O)c3ccccc3-c3ccccc3)c2)C1 19712258 HYBZARIRPSPWQE-WIOPSUGQSA-N 414.505 4.962 0 40 HJAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 20139810 PJDMQALVVRZRBT-UHFFFAOYSA-N 400.228 4.968 0 40 HJAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cncc(Br)c1 20143521 ORUOEXCUTHDVBJ-UHFFFAOYSA-N 407.651 4.502 0 40 HJAB O=C(COCc1cc(-c2ccco2)on1)Nc1cc(C(F)(F)F)ccc1Cl 20479730 RYXIYIIFXUBYNQ-UHFFFAOYSA-N 400.740 4.762 0 40 HJAB O=C(NC1CC1)c1cc(SCc2nc(-c3cccs3)no2)nc2ccccc12 21762365 GPNAJEQEFWUFPO-UHFFFAOYSA-N 408.508 4.531 0 40 HJAB COc1ccc(Br)cc1CN(C)Cc1coc(-c2ccc(F)cc2)n1 24371689 OVNOMDUVUGPBSN-UHFFFAOYSA-N 405.267 4.884 0 40 HJAB Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)cc(=O)c2cc1C 28289546 XZVZODRHAJZTQU-FQEVSTJZSA-N 424.928 4.630 0 40 HJAB Cc1noc2ncc(C(=O)N(C)Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc12 30929924 HHZKXQQEODJWSB-UHFFFAOYSA-N 423.476 4.656 0 40 HJAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)s2)o1 33162964 SFWJMGPQPSHNIX-INIZCTEOSA-N 409.511 4.511 0 40 HJAB CCn1nc(C)c2c(C(=O)Nc3nn(C)c(C)c3Cl)cc(-c3ccc(C)cc3)nc21 36616098 JJCXWQFBGZTGFJ-UHFFFAOYSA-N 422.920 4.683 0 40 HJAB CCn1ccc(-c2cc(C(=O)NCCC(C)C)c3c(-c4ccccc4)noc3n2)n1 36618498 YWSVPYKFAOBXFO-UHFFFAOYSA-N 403.486 4.549 0 40 HJAB COc1ccc2c(C)cc(SCC(=O)Nc3ncc(Cl)cc3Cl)nc2c1 37868423 NWSSQALWXLAFGV-UHFFFAOYSA-N 408.310 4.984 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(C)ccc1OCC(F)(F)F 40047202 YJZRLSGSKDDCQN-IBGZPJMESA-N 418.415 4.839 0 40 HJAB CC(C)(C)C[C@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1 49387826 VQILGKFOYDBSBP-IBGZPJMESA-N 400.494 4.565 0 40 HJAB CCn1nnc2cc(C(=O)Nc3ccc(Sc4ccccn4)c(Cl)c3)ccc21 58247245 SDZZRGXVQCKYMX-UHFFFAOYSA-N 409.902 4.903 0 40 HJAB Cc1cc(C)n(CC2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)n1 62017705 ZNASLNPSNJHEIN-UHFFFAOYSA-N 401.554 4.961 0 40 HJAB O=C(NCc1ccccc1Cl)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 67261284 NMHCWFIXLBEWSJ-UHFFFAOYSA-N 424.291 4.566 0 40 HJAB CCCOc1ccccc1[C@@H](CC(C)C)Nc1nn2c(=O)cc(CC)nc2s1 72307327 OLXMUUXDVKQBCK-QGZVFWFLSA-N 400.548 4.702 0 40 HJAB Cn1cc(-c2cccs2)nc1CCNC(=O)C1c2ccccc2Oc2ccccc21 90606971 PCBZJKHGKQABTL-UHFFFAOYSA-N 415.518 4.745 0 40 HJAB COc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NC(C)C)c2ccccc2O3)cc1 96053324 ONUQZAZVBXDEQP-NRFANRHFSA-N 422.569 4.511 0 40 HJAB Cc1ccc(CN2CCC(c3cc4c(ncn4C)c(-c4cccnc4)n3)CC2)s1 96099947 IHOONXFVANVGII-UHFFFAOYSA-N 403.555 4.780 0 40 HJAB CC(C)(C)C(=O)N[C@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)C2CCCCC2)CC1 100223355 SIACQPYNAFQAJU-SCTDSRPQSA-N 419.635 4.849 0 40 HJAB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@]12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 100822501 LUVGDQLCCMZRFO-RMGCIQDKSA-N 404.869 4.610 0 40 HJAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(CN2CCc3ccccc32)cc1 116097125 ODHQOALAJCKNRO-UHFFFAOYSA-N 411.505 4.628 0 40 HJAB CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1ccccc1F)C(=O)O 141670747 QHOYRXBYNIHFMF-QHCPKHFHSA-N 419.452 4.702 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2Cl)cc1 216323283 GYKVMONJKLDBOG-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1cccc(NC(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)ccc2Cl)c1 224329409 WUUMJPUJKSKGLX-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(Br)cc3)o2)c1 224845497 FEDSLGJXQOUSMV-UHFFFAOYSA-N 401.260 4.684 0 40 HJAB COC1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCCCCC1 225631648 SBLIYRDUMZKUDZ-UHFFFAOYSA-N 402.579 4.865 0 40 HJAB CN1C(=O)CCCC[C@@H]2[C@@H]1CCN2C(=O)C1(c2ccc(Cl)cc2)CCCCC1 257216772 CVZQRIKQQVMDEP-VQTJNVASSA-N 402.966 4.544 0 40 HJAB O=C(c1n[nH]c2ccccc12)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257224860 FDSUXBGNDGQCFJ-FQEVSTJZSA-N 404.445 4.648 0 40 HJAB Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@@H](Cc2cccc3cccnc23)C1 257271809 MZWMCWPHNRRQJD-NRFANRHFSA-N 424.548 4.883 0 40 HJAB O=C(COc1cccc(F)c1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257336034 YMWXAWBIHYZNBU-FQEVSTJZSA-N 414.864 4.800 0 40 HJAB Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(Br)cc2Cl)CC1=O 408647853 XQBWFVBKGGYZDU-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)N[C@H](C)[C@H]1CCCOC1 504861163 IVDSIZHEJZCVOA-HIFRSBDPSA-N 417.347 4.728 0 40 HJAB CC(CC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)CC(=O)N[C@@H](C(C)(C)C)C(F)(F)F 577045788 HVXPUILAOZSNDO-KBPBESRZSA-N 420.438 4.589 0 40 HJAB Clc1ccc2ncc(-c3cccc([C@@H]4CCCN(Cc5ccccn5)C4)n3)n2c1 585262953 RGCVMPOGJHAWDD-QGZVFWFLSA-N 403.917 4.824 0 40 HJAB Clc1ccccc1CN1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1 1560160408 VXXOJZQJZSUIBW-LJQANCHMSA-N 402.723 4.973 0 40 HJAB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(C)c1 876310 CQWJGOZFLGNOCH-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB CCOc1ccc2cc3c(N)c(C(=O)Nc4ccc(C(C)=O)cc4)sc3nc2c1 891615 MSDFLFPYHNXEPE-UHFFFAOYSA-N 405.479 4.885 0 40 HJAB O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1094838 GPVWOYKYVWEZFZ-UHFFFAOYSA-N 421.349 4.658 0 40 HJAB CCOC(=O)c1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Cl)cc2)cc1 1101463 RBWUSPJCTRYZMD-QGZVFWFLSA-N 406.960 4.961 0 40 HJAB O=c1/c(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)sc2nc3ccccc3n12 1102786 AMXCUCYYHNVJHK-WQRHYEAKSA-N 412.392 4.736 0 40 HJAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)Nc1cc(C)ccc1C 1353541 USPNSBXAEJLUBZ-UHFFFAOYSA-N 419.456 4.613 0 40 HJAB COc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O 1506032 UOQOXBDVRRGQRZ-UHFFFAOYSA-N 422.440 4.901 0 40 HJAB Cc1oc2cc3oc(=O)c(CCC(=O)NCCc4ccccc4)c(C)c3cc2c1C 2149832 BTBNSYNIMGOAHS-UHFFFAOYSA-N 403.478 4.756 0 40 HJAB biogenic CC(=O)CSc1nc2ccc(NC(=O)c3cccc(Br)c3)cc2s1 2396316 OINPDVQOUKWEPK-UHFFFAOYSA-N 421.341 4.992 0 40 HJAB COc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1Cl 2396381 FIXGEHHBNIIGAX-UHFFFAOYSA-N 419.959 4.963 0 40 HJAB COc1ccc(Cn2c(SCc3cccc(F)c3)nc3ccsc3c2=O)cc1 2908655 JQRVMHZVWJNGJH-UHFFFAOYSA-N 412.511 4.946 0 40 HJAB O=C(Nc1nc2c(s1)CCCC2)c1cc(Br)c(Br)s1 3328376 OXGYEIIPBAYLKA-UHFFFAOYSA-N 422.167 4.861 0 40 HJAB CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2)c2c[nH]c3ccccc23)cc1 3400021 OEAIPUAHXPTHBA-QFIPXVFZSA-N 401.485 4.935 0 40 HJAB aggregator CCCNC(=O)OC[C@]12CO[C@H](c3ccc(N(C)C)cc3)[C@H](C(C)=C[C@@H]1C)[C@H]2C 3999062 VIRYKNHSXXWHME-KETUGKNFSA-N 400.563 4.795 0 40 HJAB CCOC(=O)c1cc(-c2cccs2)[nH]c1N1CCN(c2c(C)cccc2C)CC1 4052758 TWCIKRWMFTXPBC-UHFFFAOYSA-N 409.555 4.863 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)[C@H]1COc2ccccc2O1 4224286 GUMFMBKWCBBOHQ-MRXNPFEDSA-N 407.278 4.895 0 40 HJAB CCCn1c(C)cc(C(=O)COC(=O)CSc2cc(C)c3ccccc3n2)c1C 4297441 IVRLEQHKKMSYSU-UHFFFAOYSA-N 410.539 4.890 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCCC3)n2-n2cccc2)c1 4518674 INEDKGLSLNZDLQ-UHFFFAOYSA-N 409.559 4.786 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccccc2Cl)cc1C 4649047 VAVLKSSKZZFTCA-BKUYFWCQSA-N 408.885 4.637 0 40 HJAB CC(C)OCCCNC(=O)C[C@@H](C)CC(=O)Nc1ccc(Oc2ccccc2)cc1 4690560 LHSNMAFCKXTBGY-LJQANCHMSA-N 412.530 4.765 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2cccc(OC)c2)cc1 4715969 RNEDUQJGXFVNBB-UKILVPOCSA-N 416.477 4.955 0 40 HJAB CCCN1C(=O)c2[nH]nc(-c3ccc(OCC)cc3)c2[C@H]1c1ccc(O)c(OCC)c1 4909899 DOBLEDCSTCCFDG-HSZRJFAPSA-N 421.497 4.535 0 40 HJAB Cc1cc(C)c(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)c(C)c1 5305048 QKORTVLVPPPPCO-UHFFFAOYSA-N 415.468 4.761 0 40 HJAB Cn1nc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)c2ccccc2c1=O 6333235 QIUAWWHLMIREPI-UHFFFAOYSA-N 418.522 4.607 0 40 HJAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(Br)c1 6752916 FRRWPMSCUKPWTA-IBGZPJMESA-N 412.287 4.500 0 40 HJAB COc1ccc([C@@H](NC(=O)c2ccccc2SCC(C)=O)c2ccccc2)cc1 7984747 QBRNJIMEEXTHLH-QHCPKHFHSA-N 405.519 4.896 0 40 HJAB Cc1ccccc1-n1c(C)nnc1S[C@@H](C(=O)N1CCCCC1)c1ccccc1 8189532 LPSWDMOCWCGTED-OAQYLSRUSA-N 406.555 4.730 0 40 HJAB CC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccccc2Cl)cc1 8340903 UGYBYNHSFOHQPS-UHFFFAOYSA-N 401.890 4.782 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c1 8759030 LWXLAAGZYOPJES-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCc3cccnc3)o2)cc1 8844591 YMPWUTYTCHOMLA-UHFFFAOYSA-N 423.469 4.629 0 40 HJAB CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccccc3C)c3ccccc3c2=O)cc1 9855649 KPVZFQVFFQPUIH-UHFFFAOYSA-N 424.500 4.742 0 40 HJAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 9993719 XWIBZJMTJLLDTN-JXOMPUQVSA-N 414.534 4.901 0 40 HJAB O[C@@H](COc1ccc2ccccc2c1)CSc1nnc2c(Cl)cc(Cl)cn12 10202616 OUQWOUYKRBCFJF-HNNXBMFYSA-N 420.321 4.721 0 40 HJAB Cc1nc(CSc2ccccc2C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)cs1 11596188 CRHSEABAHJYKDM-RDTXWAMCSA-N 418.584 4.596 0 40 HJAB COc1ccc(-c2nnc(NC(=O)CSc3nc4ccccc4s3)s2)cc1 11852401 JWXYBAFMSGPUFH-UHFFFAOYSA-N 414.537 4.554 0 40 HJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cc(C)ccc3C)oc12 13138859 RARLJYBLPYNPNK-FLFQWRMESA-N 405.479 4.999 0 40 HJAB CCc1nn2c3c(nnc2c1-c1ccccc1OC)C(=O)C[C@@H](/C=C/c1ccccc1)C3 14607788 QAHXVTNRYQGJCP-JKGDOXCYSA-N 424.504 4.821 0 40 HJAB O=C1c2cccc3cccc(c23)C(=O)N1CCCC(=O)N1CCC[C@H]1c1cccs1 14629044 ZEYKCARDDCYGPE-IBGZPJMESA-N 418.518 4.641 0 40 HJAB CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 15225608 QRGOCVADLDCRQG-UHFFFAOYSA-N 415.518 4.679 0 40 HJAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)c(C)c1 16994334 QPTPPRKFZBVWBU-UHFFFAOYSA-N 424.522 4.599 0 40 HJAB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2)n2nc(-c3cccc(C)c3)nc2N1 17135538 IKNVPFSIVRVUQL-JOCHJYFZSA-N 422.492 4.576 0 40 HJAB CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CCCC2)CC1 19700305 RAAXBBPMOYHQPA-UHFFFAOYSA-N 418.581 4.783 0 40 HJAB C[C@H](Oc1ccccc1F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19938362 SEULJEZGONHHKG-FQEVSTJZSA-N 418.512 4.527 0 40 HJAB O=C(Cc1ccccc1)N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20510114 XJEVWFJHBBNQGO-NRFANRHFSA-N 403.869 4.838 0 40 HJAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)cn2C 22237234 MRXQRXFTBPZRON-UHFFFAOYSA-N 424.806 4.862 0 40 HJAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cccc(CN2CCCC2=O)c1 25272106 DXYYDOJFCXROGN-UHFFFAOYSA-N 411.933 4.705 0 40 HJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2ccc(F)cc2F)nc1 25278499 OYPLPFRBNHZEJN-OAHLLOKOSA-N 417.481 4.748 0 40 HJAB COc1ccc([C@H](CNC(=O)COc2ccc(C(C)C)cc2)N2CCCCCC2)cc1 27583018 JFHRCZNEDBSVEK-VWLOTQADSA-N 424.585 4.931 0 40 HJAB CCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 27778202 BFLALDSGQHYASC-VXGBXAGGSA-N 418.588 4.962 0 40 HJAB COc1cc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c(OC)cc1Cl 30942768 FTCSHUHMYMGXQE-OAHLLOKOSA-N 402.922 4.841 0 40 HJAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 32740778 BUUXQLOYOKRVCN-GOSISDBHSA-N 406.507 4.867 0 40 HJAB C[C@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 32863032 FCXVVEMUQAVGOB-AWEZNQCLSA-N 420.340 4.658 0 40 HJAB O=C(NCCOc1ccccc1)c1ccccc1CSc1nc2ccccc2[nH]1 32971683 VEPHRVQIGPQKDL-UHFFFAOYSA-N 403.507 4.664 0 40 HJAB CCOc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4)c3)no2)cc1 33327411 JPVYADYFADPUGJ-UHFFFAOYSA-N 415.449 4.820 0 40 HJAB CC[C@@H]1c2cc(OC)c(OC(C)=O)cc2[C@H](c2ccc(OC(C)=O)c(OC)c2)[C@@H]1C 34781649 BRYNFIBJEKWEEG-LLJTVLAQSA-N 412.482 4.830 0 40 HJAB CC(C)[C@@H](NC(=O)c1cc(F)ccc1Br)c1ccc2c(c1)OCCCO2 36729615 DOQCKZUKSCABCA-LJQANCHMSA-N 422.294 4.877 0 40 HJAB CC1(C)CC(N(Cc2cnn(-c3ccccc3)c2)Cc2ccccn2)CC(C)(C)N1 36740517 BJBKCQSRDNHMLO-UHFFFAOYSA-N 403.574 4.579 0 40 HJAB COc1ccc(OC)c(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 38834781 PRDUUZQUEIENRR-UHFFFAOYSA-N 423.340 4.861 0 40 HJAB CCn1ncc2c(C(=O)N(C3CC3)[C@H](C)c3ccccn3)cc(-c3cccs3)nc21 40146227 WIGBVJMLUZYLCA-OAHLLOKOSA-N 417.538 4.941 0 40 HJAB COc1ccc(NC(=O)N[C@H](c2cccs2)C2CCCC2)cc1N1CCCC1=O 48234602 WNFJOTNZJNUNFD-NRFANRHFSA-N 413.543 4.937 0 40 HJAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)c1C 57528028 QVIWZFNHSNJVIE-UHFFFAOYSA-N 409.917 4.943 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2N(C)c2ccccc2)cc1 72214268 XMHUDHMICQSQKB-QFIPXVFZSA-N 407.539 4.684 0 40 HJAB Nc1ncc(-c2ccccc2)c([C@H]2CCCCN2C(=O)CCc2ccc(F)cc2)n1 72377260 CAHCIWDQKDPBTP-OAQYLSRUSA-N 404.489 4.551 0 40 HJAB COc1ccc(Br)c(C(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)c1 95457256 KHUPHXOKSGJGEQ-INIZCTEOSA-N 402.210 4.665 0 40 HJAB CCN1c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C(=O)N2CCCC[C@@H]21 97944092 NBDUCGYFFAKBGL-LJQANCHMSA-N 417.431 4.750 0 40 HJAB Cc1ccc2oc(C(=O)NC[C@H]3CC[C@H](c4nnc(-c5ccccn5)o4)CC3)cc2c1 100156009 GIGGMLMGXYAPFC-CALCHBBNSA-N 416.481 4.890 0 40 HJAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 106109041 CGSNQPPGRZCHHD-UHFFFAOYSA-N 424.472 4.863 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@H]2C[C@@H](C)CC[C@H]2C1=O 136693753 LRNDWIYNZVSONC-LXZKKBNFSA-N 410.901 4.826 0 40 HJAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCS[C@@H](c2ccccc2)CC1 208044336 ZALLJFNKRZTCJC-QGZVFWFLSA-N 401.475 4.574 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219751109 IWGRQHMDQPRBGG-LJQANCHMSA-N 420.962 4.564 0 40 HJAB O=C(NCc1nc(-c2ccccc2)no1)c1cc(Cl)ccc1OCc1ccccc1 219775344 KZBVFMXYKIRCTO-UHFFFAOYSA-N 419.868 4.899 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 222509182 XWJRYXZEWOOFCN-NRFANRHFSA-N 400.950 4.605 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 222553153 YBPBSVHIAWHINB-HXUWFJFHSA-N 421.368 4.868 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)CC(C)(C)O2 222855967 FGETXHZIFOXHFQ-AUUYWEPGSA-N 403.906 4.843 0 40 HJAB CC(C)C(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 223347653 OTEQJVWDQGZWHM-DEOSSOPVSA-N 400.522 4.729 0 40 HJAB CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1Cl 224146843 BTOSPWNUSAUHKS-UHFFFAOYSA-N 406.269 4.714 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C 224153277 AOLHDPLHMKTUAD-HSZRJFAPSA-N 422.569 4.548 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(F)c3)cc2C)cc1 224208576 DMSQAZMSTWLESC-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB CCc1ccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)cc1 224290142 MZIHPDMRUICICY-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OC(C)C)cc2)c1 224563189 QIIGGBJBLQKHTQ-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 224999747 BWMDLKCYEUERRE-UXHICEINSA-N 424.585 4.695 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1 225035713 PGCHQRGLOQZZOS-XMMPIXPASA-N 406.570 4.794 0 40 HJAB CCO[C@@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@H](C)C1 225715113 GMQQFSBSJNCBED-RDPSFJRHSA-N 402.579 4.721 0 40 HJAB CCc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1 408558747 SSLFWQDIOLHIHZ-UHFFFAOYSA-N 424.522 4.619 0 40 HJAB Cc1ccccc1NCN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 408719112 JGGUQPVWPQMISO-MHWRWJLKSA-N 403.301 4.863 0 40 HJAB O=C(N[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3o2)C1)c1ccc2ccccc2c1 531033418 DDCHLJHLKRVZRV-NRFANRHFSA-N 416.452 4.760 0 40 HJAB COc1cccc2cc(CN3CC[C@H](c4c(C(N)=O)sc5ccccc45)C3)oc12 1848351857 BTDWEAHXNKMBBK-HNNXBMFYSA-N 406.507 4.745 0 40 HJAB COc1cccc2c(SCC(=O)Nc3ncc(C)s3)nc(-c3ccccc3)nc12 877911 PUGDAJXIPHAIDJ-UHFFFAOYSA-N 422.535 4.801 0 40 HJAB Cc1ccc(CNC(=O)c2cnn3c2N[C@@H](c2ccc(C)cc2)C[C@@H]3C(F)F)cc1 900497 NJBURQOXYUIWRW-WOJBJXKFSA-N 410.468 4.793 0 40 HJAB C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1Nc2ccccc2C(=O)N1c1ccc(F)cc1 1106046 ALLBFZSPIIVWLU-CMJOXMDJSA-N 404.441 4.832 0 40 HJAB CNC(=O)Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1OC(=O)NC 1671468 OPJAEIRRADMFPO-UHFFFAOYSA-N 401.271 4.581 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)C[C@@H]1SC(Nc2ccccc2Cl)=NC1=O 1851318 MNJHFMHCCLCTHG-HNNXBMFYSA-N 408.310 4.741 0 40 HJAB CCCNC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(C)cc1)C[C@@H]2C(F)(F)F 2088271 BQHRKHFEYMCXRR-CHWSQXEVSA-N 400.832 4.645 0 40 HJAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccccn2)cc1 2432228 RMYPNEJEHSFWMK-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB CN(C)c1ccc([C@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 2439016 SHTXJBNMQKJCIG-BTYSJIOQSA-N 416.502 4.762 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)cc1)N(C[C@@H]1CCCO1)C3=O 2440534 GHTQSABTGXKPGM-LAUBAEHRSA-N 423.896 4.787 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)NCc3ccccc3Cl)s2)cc1 3326205 KBEVRMMJQHJOTQ-UHFFFAOYSA-N 404.948 4.652 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 3560544 YWLUFLLOUYLACP-UHFFFAOYSA-N 407.539 4.741 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2-n2cccc2)c1C 4518669 VRRTXWIWLRKPJU-UHFFFAOYSA-N 409.559 4.786 0 40 HJAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1N=CC[C@@H]1c1ccccc1 4702744 YPFDYCMLSXZDJP-MRXNPFEDSA-N 412.565 4.715 0 40 HJAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2cccc(F)c2)s1 4843424 UOXXQULUJJADLX-UHFFFAOYSA-N 404.492 4.550 0 40 HJAB COCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(-c2ccc(F)cc2)s1 4880342 LHMZBZZSIJWZPH-UHFFFAOYSA-N 413.518 4.935 0 40 HJAB CCCCN(C(=O)c1ccccc1C)c1nnc(-c2cc(OC)cc(OC)c2)s1 4881225 PCGLINTYCGXWJX-UHFFFAOYSA-N 411.527 4.978 0 40 HJAB C[C@@H]1CCCN(CC(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(F)cc2)C1 5030971 WJVSQCGOLIVPSF-OAHLLOKOSA-N 410.514 4.738 0 40 HJAB CSc1nc(NCCN(C)C)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 5215800 IZHOAGHYFDMPPP-UHFFFAOYSA-N 401.605 4.547 0 40 HJAB COC(=O)c1ccc(CSc2nnc(-c3cccc(Br)c3)o2)cc1 5262616 DXDBJRVAAJWQDJ-UHFFFAOYSA-N 405.273 4.578 0 40 HJAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)c1 6271178 DNZQLYLJIHZWFK-HXUWFJFHSA-N 422.978 4.749 0 40 HJAB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)CCc2ccccc2)c1 6381593 DXQNNXQSCIBPDV-RZFJZAQRSA-N 423.553 4.531 0 40 HJAB biogenic Cc1nnc(SCC(=O)c2ccc(NC(=O)CC(C)C)cc2)n1Cc1ccccc1 6531791 QXRCACTUCALKQD-UHFFFAOYSA-N 422.554 4.594 0 40 HJAB COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c(OC)c1 6623872 BKVOGXZVPLKZMP-UHFFFAOYSA-N 421.449 4.663 0 40 HJAB biogenic CCOc1cc(/C=N/Nc2ccccc2)cc(I)c1OCC 6959709 GJRYEMSBQCXBCO-XDHOZWIPSA-N 410.255 4.535 0 40 HJAB COc1ccc(OCCCC(=O)NCc2ccc(-c3csc(C)n3)s2)cc1 7821530 GTKHRDXUTKNPOO-UHFFFAOYSA-N 402.541 4.664 0 40 HJAB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)Nc3ccnn3C(C)C)n2n1 8131004 JOXCDJWLXNPKQU-UHFFFAOYSA-N 420.542 4.521 0 40 HJAB CCOc1cc(C(=O)CCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)ccc1O 8772375 HPRWWHAVCLPFAV-AREMUKBSSA-N 417.505 4.968 0 40 HJAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)Nc1ccc(N2CCCC2=O)c(Cl)c1 11418241 YVTFYAJQVMFILT-ZZXKWVIFSA-N 419.264 4.501 0 40 HJAB Cc1ccc2c(CC(=O)OCC(=O)Nc3ccccc3SC(F)F)coc2c1 11739393 YZQCMVZEVDLLDT-UHFFFAOYSA-N 405.422 4.780 0 40 HJAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 12132063 ZTSWJNJECWEALL-UHFFFAOYSA-N 416.905 4.753 0 40 HJAB O=C(O)[C@@H](c1c(-c2ccccc2)[nH]c2ccccc12)N1CCN(c2ccccc2)CC1 12324882 OOIIZLTWYFNOOP-RUZDIDTESA-N 411.505 4.783 0 40 HJAB CCCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1C1CCCC1 12409783 OMQLEJCQFXSDKE-UHFFFAOYSA-N 418.559 4.800 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 12977356 WQZCNCPNGVQZAR-LBPRGKRZSA-N 403.301 4.979 0 40 HJAB CC[C@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716627 LPJPMCJOKFPXAH-OAQYLSRUSA-N 416.587 4.919 0 40 HJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc(Cl)c4)[C@@H]3C2=O)c1 13757876 GVADMOBWKCUKNK-FKBYEOEOSA-N 418.880 4.700 0 40 HJAB CC(C)Cc1nn2c(/C=C3\SC(=S)N=C3O)c(-c3ccccc3)nc2s1 13815035 QLVJHUQWWRUAIR-LCYFTJDESA-N 400.554 4.985 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)cc1 14069815 MTWPICDWSMIHNK-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)N2CCC(C)CC2)o1 15860280 SATICZOVKUCRHO-GOSISDBHSA-N 405.336 4.554 0 40 HJAB CCc1ccc(OCC(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1 16162003 MIROYKXYGZUWHY-UHFFFAOYSA-N 419.959 4.713 0 40 HJAB CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(F)c2)s1 16742538 ZNWRMDGGWILNQQ-KRWDZBQOSA-N 421.453 4.657 0 40 HJAB O=C(COc1ccc2ccccc2c1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 17093001 HRPHNJNCSBVKMW-UHFFFAOYSA-N 422.440 4.658 0 40 HJAB O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)Nc1ccccc1F 17177949 WYMHOQSCIBTIIW-UHFFFAOYSA-N 412.877 4.920 0 40 HJAB COc1ccc2c(cc(C(=O)N(Cc3ccncc3)C3CCCCC3)n2C)c1OC 19289691 NFMKILJNAWEQDR-UHFFFAOYSA-N 407.514 4.566 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)C[C@H]2CC(C)(C)OC2=O)n1 19691302 QOZHFQOZXADEHJ-RXVVDRJESA-N 410.489 4.591 0 40 HJAB COc1ccc2[nH]c(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)c(C)c2c1 19714845 RGAIBHXMPNMDRM-HXUWFJFHSA-N 406.482 4.624 0 40 HJAB C[C@@H](NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 20461686 XIFOJUHXQSUIQA-OAHLLOKOSA-N 414.914 4.632 0 40 HJAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Oc1ccc2c(c1)OCO2 21743383 VVDQKRAKLVOFMQ-UHFFFAOYSA-N 403.843 4.632 0 40 HJAB O=C(Cc1noc2ccccc12)NCc1ccc(-c2ccc(Br)cc2)o1 22486028 OYBCZMOKZUAYAR-UHFFFAOYSA-N 411.255 4.709 0 40 HJAB CCOC(=O)c1cc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)ccc1Cl 22512833 MXFFDZLOZSQUIX-UHFFFAOYSA-N 422.717 4.765 0 40 HJAB CCOC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 22531261 HLZXZZMFQMVEQN-UHFFFAOYSA-N 400.478 4.678 0 40 HJAB CCc1cc2c(Sc3nnc(N4CCC(C)CC4)n3C3CC3)ncnc2s1 24061145 SIRPZFPAGUVUPG-UHFFFAOYSA-N 400.577 4.568 0 40 HJAB COc1cc(CNC[C@@H](c2ccco2)N2CCCC2)ccc1OCc1ccc(F)cc1 25357636 QSIMMGNVIYZNFK-QFIPXVFZSA-N 424.516 4.933 0 40 HJAB COc1ccc(Cc2nc(-c3ccc4c(c3)C[C@@H](C)N4C(C)=O)cs2)cc1OC 26981408 XAZSVBQYOXDKFC-CQSZACIVSA-N 408.523 4.716 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1ccccc1 29268248 IJPJVCBWEVPIIY-UHFFFAOYSA-N 424.504 4.835 0 40 HJAB CC(C)N(C(=O)CSc1nnc(-c2ccc(F)cc2)n1C1CC1)c1ccccc1 32604149 BCDKEUVWSYSABX-UHFFFAOYSA-N 410.518 4.953 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N2CCCC2)cc1 32623526 SYPKGZQGPOXTRH-HSZRJFAPSA-N 419.525 4.534 0 40 HJAB Cc1cccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)c1C 33089184 FHEOWMDIUJMSGC-GFCCVEGCSA-N 411.299 4.750 0 40 HJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 33572033 YTAPGSWUTCBCCG-DEOSSOPVSA-N 416.521 4.764 0 40 HJAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1cccc(Cl)c1 33603070 OKHLIQWZODMKRH-UHFFFAOYSA-N 401.841 4.758 0 40 HJAB COc1ccc([C@H](C)NC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c23)cc1 36613384 CMSBDDXUMXVMGF-AWEZNQCLSA-N 405.429 4.837 0 40 HJAB Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)NCc2ccc(F)cc2)[nH]n1 38651920 YNSIVKXLMLONLE-UHFFFAOYSA-N 410.449 4.717 0 40 HJAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1 38855162 HQAKIRIWUYZWEW-UHFFFAOYSA-N 407.558 4.701 0 40 HJAB O=C(Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1n[nH]c(=O)c2ccccc12 40070352 QKZRBQKBYZVSFG-UHFFFAOYSA-N 423.831 4.547 0 40 HJAB CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)cc1 44936097 YEPDFOQGCJUBHX-SIKLNZKXSA-N 400.950 4.828 0 40 HJAB COc1cc(OC)cc(C(=O)NCSc2nc(-c3ccc(C)cc3)cs2)c1 57531537 JIMDJCUAVUBVLX-UHFFFAOYSA-N 400.525 4.615 0 40 HJAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4C)nccn3n2)cc1 67290363 YPGMXCPJSNMUGO-UHFFFAOYSA-N 418.522 4.834 0 40 HJAB C[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 68713114 VJZUDPDBUWZMHP-VOIUYBSRSA-N 405.881 4.593 0 40 HJAB COc1cc(OC)c(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cc1OC 69926009 GRCCXLXODYNJJT-UHFFFAOYSA-N 421.428 4.647 0 40 HJAB Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCCC[C@@H]3c3ncc[nH]3)c2c1C 79017501 GWUKVWWJVBBYTP-GOSISDBHSA-N 424.618 4.995 0 40 HJAB CN(C)c1c(Cl)cccc1NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 83852384 QGXSIBBJUGTZER-UHFFFAOYSA-N 401.875 4.511 0 40 HJAB Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)N2CCCC2)c2ccccc2O3)o1 96053215 OEVXYKDVDJQVCP-FQEVSTJZSA-N 408.542 4.501 0 40 HJAB O=c1oc2ccccc2c(NC2CCCC2)c1NS(=O)(=O)c1cccc(Cl)c1 101094453 PTLWHYMICLSYEM-UHFFFAOYSA-N 418.902 4.602 0 40 HJAB Cc1cccc(-n2c(C)nnc2SCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1 102319080 BGEULRNCUYQDJF-LSTHTHJFSA-N 401.576 4.980 0 40 HJAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCS[C@H](c2ccccc2)CC1 208044303 ZALLJFNKRZTCJC-KRWDZBQOSA-N 401.475 4.574 0 40 HJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1nnc(SCc2ccccc2)s1 222687837 XRZZDUHWUMRSQR-OAHLLOKOSA-N 415.540 4.635 0 40 HJAB O=C(NCCOc1cccc2ccccc12)[C@H]1CCCN(Cc2ccccc2Cl)C1 223569308 GMGKOWBAJZEUGX-NRFANRHFSA-N 422.956 4.900 0 40 HJAB CN(c1ccc(C(=O)Nc2ccccc2F)c(Cl)c1)S(=O)(=O)c1ccccc1 224230892 VXKYZZACRQFXON-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 224999360 XHMSXVSSWUPJHG-VQTJNVASSA-N 418.537 4.551 0 40 HJAB COC(=O)c1cccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 225534720 FQMBFIMFXOFDQA-UHFFFAOYSA-N 424.497 4.678 0 40 HJAB Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(N3CCCC3)n2)cc1 225943018 STGHDSPWBPWAIX-UHFFFAOYSA-N 419.554 4.664 0 40 HJAB O=C(O)c1ccc(-c2ccc(NC(=S)NC(=O)C3CCCCC3)cc2Cl)o1 226351599 MQNJIVZUYZSWRM-UHFFFAOYSA-N 406.891 4.692 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@@]2(O)[C@H](C)OC(C)=O)C1 253500946 COXXOOWTEWCQRW-LMIWSJPZSA-N 420.590 4.644 0 40 HJAB CCOc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)ccc1OC(F)F 257229220 FXGHEJQCRHSILX-YBUIKQIVSA-N 423.500 4.705 0 40 HJAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)CCc2ccc(F)cc2)C1 257265662 LZUFRJLTTJYHOL-QGZVFWFLSA-N 424.541 4.691 0 40 HJAB O=C(N1CCOC[C@H](Cc2cnc3ccccc3c2)C1)C1(c2ccccc2)CCCC1 257269118 MOQRGDZJWIPUJM-JOCHJYFZSA-N 414.549 4.764 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)Cn3nc(C)c(C)c3C)C2)n1 257306194 STGHMVMVZFAPTD-OAQYLSRUSA-N 420.532 4.724 0 40 HJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1 260814708 MMBVSYDTAFZLBV-SKPFHBQLSA-N 404.595 4.967 0 40 HJAB CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 408653947 FSMLEQAEXOSLIM-LSDHHAIUSA-N 416.315 4.921 0 40 HJAB CCOC(=O)COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1 408993765 XKDFKQYHKSICNL-UHFFFAOYSA-N 412.511 4.665 0 40 HJAB CN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O 409187775 BWZNMAJGHXELTF-RQZCQDPDSA-N 400.265 4.519 0 40 HJAB CC(C)Cn1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1ccc(Cl)cc1 409216413 HXRMDHGADLXPOT-UHFFFAOYSA-N 408.999 4.992 0 40 HJAB Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccc(F)cc3)C2=O)cc1 409245217 PFAVCMRHDCVPLL-HYARGMPZSA-N 416.452 4.806 0 40 HJAB Cc1cccc(CN2C(=O)S/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)C2=O)c1 409246845 FHUZIIZUBTVHIX-MOSHPQCFSA-N 418.474 4.720 0 40 HJAB CC(C)=C[C@H]1[C@H](C(=O)N2CCCN(C(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)CC2)C1(C)C 607949892 YLYMQCLFDYBTJM-PLACYPQZSA-N 400.607 4.524 0 40 HJAB CCCn1c(SCc2nc(C3CCCCC3)no2)nc2ccc(F)cc2c1=O 669560093 KTXOPLHBNILSEM-UHFFFAOYSA-N 402.495 4.669 0 40 HJAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC(=O)c2ccc(OC)cc2)cc1 683131 LNAXYZUGKOTDOR-UHFFFAOYSA-N 411.841 4.829 0 40 HJAB Brc1ccccc1-c1nnc(SCc2nnc(-c3ccccc3)o2)o1 892282 ZHTQWFLKZDSUJY-UHFFFAOYSA-N 415.272 4.841 0 40 HJAB COc1ccccc1[C@@H](CCN(Cc1ccccc1)C(C)=O)c1ccc2c(c1)OCO2 915655 WVYDHECISOYMRV-QFIPXVFZSA-N 417.505 4.995 0 40 HJAB biogenic O=C(NC1CCCCC1)[C@H](c1ccccc1)N(C(=O)C(F)(F)F)c1ccc(F)cc1 1367029 CYNXBAHKKJCLTM-IBGZPJMESA-N 422.422 4.911 0 40 HJAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)cc1Cl 2237245 AVDDZLJXECKILE-UHFFFAOYSA-N 423.325 4.528 0 40 HJAB O=C(Nc1ccc(Br)cc1Cl)c1ccc(OC[C@@H]2CCCO2)cc1 2623418 WSAFNMVTSDBPNT-HNNXBMFYSA-N 410.695 4.913 0 40 HJAB COc1ccc(Cn2c(SCc3ccccc3F)nc3ccsc3c2=O)cc1 2908654 UFMZYTYQFJOKFA-UHFFFAOYSA-N 412.511 4.946 0 40 HJAB CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C)C2)c1ccccc1 3302185 NAQLDWGSALOVBN-KRWDZBQOSA-N 402.494 4.570 0 40 HJAB COc1ccc(-c2csc(NC(=O)CCSc3ccccc3)n2)c(OC)c1 4173560 NXDRJPKYVXYZNT-UHFFFAOYSA-N 400.525 4.948 0 40 HJAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(C)=O)c2ccc(Br)cc21 4599584 SZFKGQPECYJXGT-XCLFUZPHSA-N 401.304 4.688 0 40 HJAB Clc1cccc(-c2cc3nc4c(c(NCCCn5ccnc5)n3n2)CCCC4)c1 4902613 HSPDVXCAWSSQMN-UHFFFAOYSA-N 406.921 4.627 0 40 HJAB COC(=O)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 5139466 JNSIPKVGNDUFPS-LADGPHEKSA-N 414.461 4.724 0 40 HJAB Cc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)c(C)c1 5305498 RKPMNBIPAPZDDG-UHFFFAOYSA-N 417.896 4.967 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccnc2)N1CCc1ccccc1 5516542 DBQLRILGINIUFU-OAQYLSRUSA-N 416.864 4.629 0 40 HJAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCc3ccc(Cl)cc3)n2C)cc1 6283839 YRUWFSNZYKTQKS-AWEZNQCLSA-N 400.935 4.560 0 40 HJAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)/C=C/c1nc2ccccc2s1 6553403 ALYGHKUIBYKJQI-OUKQBFOZSA-N 404.495 4.797 0 40 HJAB CCCCCCN(C(=O)Cn1ccsc1=N)c1nc(-c2ccccc2)cs1 6888007 IWKDXRDAKXPYSB-UHFFFAOYSA-N 400.573 4.766 0 40 HJAB O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCC2)cc1 7360551 OUENHVVCMMFICM-GOSISDBHSA-N 420.582 4.715 0 40 HJAB Cc1ccc(N2C(=O)N(Cc3ccc(F)cc3)c3ccccc3S2(=O)=O)c(C)c1 7615996 RRGYXKPWJXSRSI-UHFFFAOYSA-N 410.470 4.778 0 40 HJAB CC1CCN(C(=O)[C@@H](C)OC(=O)c2oc3ccccc3c2COc2ccccc2)CC1 7777919 IWANXZSWQQLGNW-GOSISDBHSA-N 421.493 4.816 0 40 HJAB CSc1ccc(COC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 7981294 LJNKTSSKSJPEPF-UHFFFAOYSA-N 405.928 4.750 0 40 HJAB C[C@H](NC(=O)CNc1cc(Cl)ccc1N1CCOCC1)c1ccc2ccccc2c1 8156186 FJZOBUYVIZBVIX-KRWDZBQOSA-N 423.944 4.619 0 40 HJAB COc1ccc([C@@H](CNC(=O)Cc2coc3c(C)c(C)ccc23)N2CCCC2)cc1 8232599 VFKIYTWCRGYDJO-HSZRJFAPSA-N 406.526 4.554 0 40 HJAB CN(C)CCCNCc1cc(Br)ccc1OCc1ccccc1Cl 8373847 NBVXOJFPNZILNH-UHFFFAOYSA-N 411.771 4.723 0 40 HJAB C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccccc1 8434659 MZBMAMUJNNQKJH-CYBMUJFWSA-N 413.271 4.785 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)cc1 8472959 XPDZYEGXLUZBAA-FGZHOGPDSA-N 416.521 4.909 0 40 HJAB Cc1cc2cc(CN(C[C@@H]3CCCO3)C(=S)Nc3ccccc3)c(=O)[nH]c2cc1C 8829036 AYKAGXHVLXPGQH-NRFANRHFSA-N 421.566 4.523 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 9135347 IORGIBJNAHZHKP-UHFFFAOYSA-N 418.449 4.647 0 40 HJAB CC1(C)Cc2c(sc3ncn4nc(CSc5nc6ccccc6o5)nc4c23)CO1 9272534 TUPLWTGDXKEZOC-UHFFFAOYSA-N 423.523 4.624 0 40 HJAB COc1ccc2c(c1)N[C@]1(COC3(CCN(CC4CCCCC4)CC3)C1)c1cccn1-2 12086171 DYGZFSQCUPICMQ-AREMUKBSSA-N 421.585 4.942 0 40 HJAB COCCNc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cs1 12327259 WTNHJBQONMVKBR-UHFFFAOYSA-N 411.502 4.601 0 40 HJAB CSc1nc(-c2ccco2)nc(C)c1C(=O)NCCc1ccc(C(F)(F)F)cc1 12854326 XFQGEPGFMDYWJS-UHFFFAOYSA-N 421.444 4.758 0 40 HJAB O=C(c1cc2ccc(F)cc2s1)N1CCN(Cc2nc3ccccc3s2)CC1 12932860 QVPCHDZRVGLXQU-UHFFFAOYSA-N 411.527 4.608 0 40 HJAB Cc1cc(C(=O)N(C)Cc2cccc(Cl)c2)c2cnn(Cc3cccs3)c2n1 13013095 ZKTUNAYOXZECSI-UHFFFAOYSA-N 410.930 4.775 0 40 HJAB Cc1cc(OCCCC(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1Cl 13095265 GJYPAJQGRLAKOI-UHFFFAOYSA-N 407.341 4.810 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2Cn2nc(-c3cccc(C)c3)n(C)c2=S)c1 14185881 SBODZJISCUCEIZ-HXUWFJFHSA-N 424.570 4.738 0 40 HJAB CCOc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 14189973 UIADDRZGGSNSRU-NFBKMPQASA-N 421.541 4.693 0 40 HJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 14200051 LCTOKLOOSNAQKP-IAGOWNOFSA-N 422.554 4.760 0 40 HJAB CCc1n[nH]c(Sc2ncnc3scc(-c4ccc(Br)cc4)c23)n1 14248562 ZGYOXBVZYJOUOC-UHFFFAOYSA-N 418.345 4.953 0 40 HJAB O=C([C@@H](Sc1nnc(/C=C/c2ccc(F)cc2)[nH]1)c1ccccc1)N1CCCCC1 14897971 HFGUSCKOOFSGMP-KVDXNUTJSA-N 422.529 4.960 0 40 HJAB O=C(Nc1ccccc1)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1 14901774 XJONHHBHQRNTGE-UHFFFAOYSA-N 408.504 4.954 0 40 HJAB O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc(Cl)cc1 16841214 ZUXOTRRAJDAKPQ-UHFFFAOYSA-N 412.877 4.920 0 40 HJAB O=C(NCCSCc1ccc(Br)s1)c1ccc2ncsc2c1 18161330 OVTBMOANNWQRRT-UHFFFAOYSA-N 413.387 4.784 0 40 HJAB O=C(c1ccccn1)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 19399978 ZHPMXRMBFLFTNU-CYBMUJFWSA-N 418.444 4.639 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)c(C)c1 19929282 ZHEKFARXTCEKRV-UHFFFAOYSA-N 417.918 4.958 0 40 HJAB COc1ccc(CNc2c(S(=O)(=O)c3ccccc3)cnc3ccccc23)cc1 22574152 JXVDUIOPIVFHOW-UHFFFAOYSA-N 404.491 4.688 0 40 HJAB COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1NC(C)=O 24840778 ODXQHXQCZAHREK-UHFFFAOYSA-N 422.868 4.790 0 40 HJAB Fc1ccc(-c2nnn(Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)n2)cc1 25183858 QVPKUBKPABIKPV-UHFFFAOYSA-N 405.380 4.670 0 40 HJAB O=C(N[C@H](CC(=O)N(Cc1ccccc1F)C1CC1)c1ccccc1)c1ccccc1 27251118 PEVJHEIPKFCHNN-XMMPIXPASA-N 416.496 4.878 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 38753365 WHSXSDIWMVDAFJ-GOSISDBHSA-N 408.523 4.595 0 40 HJAB CCOc1ccc(CCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1OC 44946973 LCOBVZWFISCMSO-UHFFFAOYSA-N 424.585 4.688 0 40 HJAB NC(=O)c1ccc(-c2nc(CSc3ncc(-c4ccc(F)cc4)o3)cs2)cc1 52891405 VRPYDRXGASFFBY-UHFFFAOYSA-N 411.483 4.995 0 40 HJAB C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)N1c2ccccc2NC(=O)C1(C)C 57315561 WUFXIJDSHGUTJC-SFHVURJKSA-N 413.521 4.518 0 40 HJAB O=C(Nc1ccccc1N1CCCCCC1)N1CCC[C@H](c2nnc3ccccn23)C1 57866277 ANGDHPCPELUSID-IBGZPJMESA-N 418.545 4.521 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)c1 65603483 JGBIXHQMLMPGQB-FQEVSTJZSA-N 406.555 4.897 0 40 HJAB Cc1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 67245636 OPDCDYYGWVFMNJ-UHFFFAOYSA-N 420.943 4.787 0 40 HJAB CCOc1ccc(-c2cc3c(SCC(=O)N(C)c4ccccc4)nccn3n2)cc1 67290396 VVLCXDSWOPCJJD-UHFFFAOYSA-N 418.522 4.550 0 40 HJAB COC(=O)[C@@H](NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)[C@@H](C)c1ccccc1 170609302 DMRRQZOCACEOCW-BTINSWFASA-N 406.309 4.558 0 40 HJAB Cc1ccccc1OC[C@@H](C)NC(=O)COc1ccc(C(C)C)cc1Br 218876956 MREDEGVRKWZCHD-MRXNPFEDSA-N 420.347 4.843 0 40 HJAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219049524 OIXUJBXGFJNLPP-AWEZNQCLSA-N 407.857 4.627 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 223062639 SXHXMCCACGLDMM-MOPGFXCFSA-N 414.977 4.831 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1cc(C)cc(C)c1 224195341 JZMHKHMYFLKSKL-UHFFFAOYSA-N 405.450 4.872 0 40 HJAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 224420979 XOHVAVPJRQOSHG-YADHBBJMSA-N 415.497 4.584 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 225076711 HFLFARRWIXEEMJ-VXKWHMMOSA-N 424.585 4.794 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCSCc2ccccc2C)c1C 225362022 HWOPXZGDDFSMKH-UHFFFAOYSA-N 402.585 4.700 0 40 HJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225446099 WGJBSBGKZIILPL-XMMPIXPASA-N 424.585 4.565 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 225474330 UVNJIDMWOSGHJF-FQEVSTJZSA-N 402.538 4.714 0 40 HJAB FC(F)(F)c1cc(NC(=S)NCc2nc(-c3ccccc3)no2)ccc1Cl 225813326 KUKKPZGIUZXQEV-UHFFFAOYSA-N 412.824 4.895 0 40 HJAB COc1cc(C)nc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)n1 225988815 LHZQSRJARZHTAY-UHFFFAOYSA-N 404.967 4.636 0 40 HJAB COc1ccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4ccc(C)nc4)C3)c2)cc1 257273169 NFNGDVLAMMKGPH-HXUWFJFHSA-N 416.525 4.865 0 40 HJAB CO[C@]1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCC[C@H](C)C1 260814773 NIUCCHZYCQURBK-UECWXEIQSA-N 402.579 4.577 0 40 HJAB COc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 408628481 YBRQMSVJDJBDFU-UHFFFAOYSA-N 417.914 4.753 0 40 HJAB CC(C)c1ccccc1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408704601 QILNNRSFXIROKL-UHFFFAOYSA-N 408.523 4.891 0 40 HJAB COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c(Br)cc1O 409102175 CZFOBIIIJLRWHM-WCIBSUBMSA-N 414.177 4.675 0 40 HJAB COc1ccc([C@@H](C)NC(=O)Nc2ccc3ncsc3c2)cc1Br 505622239 OSDJSMRVSARVCY-SNVBAGLBSA-N 406.305 4.950 0 40 HJAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1772714779 UHGNGHQLEGQIOG-GFCCVEGCSA-N 415.330 4.635 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)c3ccccc3)n2Cc2ccccc2)cc1 874156 MSSBPGXALTVNBL-UHFFFAOYSA-N 415.518 4.977 0 40 HJAB CC(=O)Nc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3C)sc2c1 1061596 MOJGJCNNBXVJRO-UHFFFAOYSA-N 405.932 4.947 0 40 HJAB Cc1ccccc1-n1ncc2c(SCC(=O)Nc3ccccc3Cl)ncnc21 1346330 PCZFYYQETJQYMZ-UHFFFAOYSA-N 409.902 4.508 0 40 HJAB CCCCCCn1c(O)c(C(=O)Nc2ccc(OCC)cc2)c(=O)c2ccccc21 2272628 BMSOEAXNVUGHSI-UHFFFAOYSA-N 408.498 4.938 0 40 HJAB CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc(C(=O)OC(C)(C)C)c1C 2766899 VPFFLPHCSONOCL-MDZDMXLPSA-N 421.540 4.902 0 40 HJAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1C 3297505 IQMOEOFHJALWKE-UHFFFAOYSA-N 424.570 4.706 0 40 HJAB COc1ccc(OC)c(-c2c(C)c3cc(OC(=O)c4ccco4)ccc3oc2=O)c1 4084548 CQLUVFWOWZGWSX-UHFFFAOYSA-N 406.390 4.598 0 40 HJAB biogenic CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 4109437 HPTAVCZEYOVZPX-UHFFFAOYSA-N 420.340 4.694 0 40 HJAB CCOCCCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)nc2c(C)ccc(C)c12 4897868 GMIAETQQPCANEN-GOSISDBHSA-N 423.582 4.937 0 40 HJAB Cc1ccccc1OCCCn1c([C@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 4910885 LBOWMHHZFNIGDE-IBGZPJMESA-N 405.542 4.928 0 40 HJAB CCc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)c3ccccc3)nc2s1 5001004 PUDPQPOBTMXFQF-UHFFFAOYSA-N 410.520 4.637 0 40 HJAB COc1ccc(NC(=O)CNc2ccc(Br)c(C(F)(F)F)c2)cc1 5699603 CKWPGAZGQNJPBU-UHFFFAOYSA-N 403.198 4.527 0 40 HJAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 6052486 WDPVWWCDTLZOTD-UHFFFAOYSA-N 411.841 4.936 0 40 HJAB COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(C(C)(C)C)cc1 6752839 YNPPSYKTVYAUGP-HSZRJFAPSA-N 419.525 4.662 0 40 HJAB Cc1cc(C)c(NC(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c(C)c1 6866492 JODQIHAAOIOEAS-UHFFFAOYSA-N 420.465 4.561 0 40 HJAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3nnc(C4CC4)s3)cccc2c1=O 7407445 RXXHYEOHNMVQDN-UHFFFAOYSA-N 403.463 4.750 0 40 HJAB CCn1c(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)nnc1C1CC1 7618191 RYBZAOCHFZCPHF-FQEVSTJZSA-N 420.538 4.850 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)N[C@H](C)c3ccc(F)cc3)s2)cc1 7654603 SHCIXVMKROKTNT-CYBMUJFWSA-N 402.520 4.699 0 40 HJAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 7677757 QSYSHVYEFOBLSH-SFHVURJKSA-N 414.534 4.654 0 40 HJAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 8157838 OQAZHDMNAHTAMM-UHFFFAOYSA-N 406.482 4.638 0 40 HJAB COc1ccc(CN(C(=O)c2cccc(NC(=O)c3cccs3)c2)C2CC2)cc1 8165182 XCKJTZKGLHVWGP-UHFFFAOYSA-N 406.507 4.814 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1Cc1ccncc1 8642675 FUQDNGQBOMSPKW-FQEVSTJZSA-N 402.837 4.587 0 40 HJAB O=C(c1cc(-c2csc(Nc3cccc(Br)c3)n2)c[nH]1)N1CCCC1 9377090 OCGAVTINFKKQDZ-UHFFFAOYSA-N 417.332 4.880 0 40 HJAB C[C@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NCc1ccc2c(c1)OCO2 9583436 SGWNMXRVUORSDY-JTQLQIEISA-N 417.836 4.885 0 40 HJAB CSCC[C@H](NC(=O)/C=C/c1ccc(Br)o1)c1nc2ccccc2[nH]1 9670306 SSOKZURPIRLSPR-HEWZJLJBSA-N 420.332 4.542 0 40 HJAB Cn1ccnc1-c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccc(Cl)cc1 12221776 QPQPYYYMKNGDQZ-UHFFFAOYSA-N 419.872 4.538 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](c1cccc(F)c1)c1nccn1C 12541216 VFBGBPQESIHMFG-KPZWWZAWSA-N 422.287 4.539 0 40 HJAB O=C(COC(=O)c1cccc(-n2cccc2)c1)N[C@H](Cc1ccccc1)c1ccccc1 12568407 BHGJYMFLRPLPCK-RUZDIDTESA-N 424.500 4.734 0 40 HJAB O=S(=O)(c1ccc(Cl)c(Nc2nc3ccccc3o2)c1)N1CCCCCC1 12617047 QAGCEVPCAGTSPL-UHFFFAOYSA-N 405.907 4.790 0 40 HJAB CC(C)c1ccc([C@H](C)NCCS(=O)(=O)c2ccc(Br)cc2)cc1 12766449 DOBCGNFEWLRTGM-HNNXBMFYSA-N 410.377 4.697 0 40 HJAB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1OC 13915155 ODIWTQNHECGZAV-GDNBJRDFSA-N 420.284 4.707 0 40 HJAB CCc1ccc([C@@H](NC(=O)C[C@@](O)(c2ccco2)C(F)(F)F)c2cccs2)cc1 14241808 SWRUIGICNWFVBI-WOJBJXKFSA-N 423.456 4.949 0 40 HJAB Cc1nnc(-c2cn(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc23)o1 15863539 XPLIBZGZYPVNQZ-UHFFFAOYSA-N 400.360 4.657 0 40 HJAB COc1ccc([C@H]2C[C@]3(CC(C)(C)N=C(SC)N3)Oc3cc(O)cc(C)c32)cc1 15974243 AUXILRFLUXGQNZ-WZONZLPQSA-N 412.555 4.811 0 40 HJAB CN(CCOc1ccccc1Cl)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 16175670 SQICJTWSFXWPIT-UHFFFAOYSA-N 404.894 4.838 0 40 HJAB Cc1c(-c2cc(-c3cnn(C)c3C)n(-c3ccc(Cl)cc3Cl)n2)cnn1C 17082138 JCJLTHCPYLZXSR-UHFFFAOYSA-N 401.301 4.597 0 40 HJAB CCOc1ccccc1CN(Cc1ccncc1)[C@@H]1COC[C@H]1c1ccc(F)cc1 19520166 KNMPUWBSIJRHDS-BJKOFHAPSA-N 406.501 4.804 0 40 HJAB Cc1nc(C)c(CC(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)s1 19560412 UCMYPSZVRATPLC-ZDUSSCGKSA-N 422.476 4.604 0 40 HJAB Cc1nn(C[C@@H](C)C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)c(C)c1Cl 19578104 PXABJQLLDUQODE-QRWLVFNGSA-N 410.949 4.744 0 40 HJAB CCOc1ccccc1Cc1ccc([C@@H]2CCCN(C(=O)c3oc(C)nc3C)C2)nc1 19690320 NIVWBINFYTVRIU-OAQYLSRUSA-N 419.525 4.696 0 40 HJAB CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1OCC 20035385 AFUCWNUNCPTDDG-UHFFFAOYSA-N 412.530 4.584 0 40 HJAB COc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1OC(F)F 22753573 MDRPNOOPRSVQKL-UHFFFAOYSA-N 418.396 4.733 0 40 HJAB O=C(c1ccc(CSc2nc(-c3ccc(Cl)cc3)cs2)o1)N1CCOCC1 23136439 SHMOEEJRYADXMQ-UHFFFAOYSA-N 420.943 4.821 0 40 HJAB O=S(=O)(CCN1CCC(c2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 23828707 OYLUZVUIBORCPP-UHFFFAOYSA-N 420.987 4.603 0 40 HJAB O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCO[C@@H](c2ccccc2)C1 27913239 PDCYLFYEWFCIGE-JOCHJYFZSA-N 405.881 4.785 0 40 HJAB O=C(c1cccc2ncccc12)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 31938586 WYJWSPLRMVDYFX-UHFFFAOYSA-N 413.546 4.921 0 40 HJAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1 32089461 MZQHGDZDIUOQBO-QGZVFWFLSA-N 410.861 4.692 0 40 HJAB O=C(O)C/C(=C/c1ccccc1I)c1nc2ccccc2s1 32642062 ZPMWGEMMDPIAIU-XFXZXTDPSA-N 421.259 4.916 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1csc(-c2ccsc2)n1 32768367 UQSSTDLYKAUCJN-UHFFFAOYSA-N 413.505 4.976 0 40 HJAB CC1=C(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)[C@@H](C)NN1Cc1ccccc1C 35268940 MGDJFWUNOYSTGC-APWZRJJASA-N 422.573 4.504 0 40 HJAB Cc1nc2ccc(NC(=O)[C@H](NC(=O)c3cccs3)c3ccccc3)cc2s1 36697061 DPFMAZBEPGQMSJ-LJQANCHMSA-N 407.520 4.776 0 40 HJAB COc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 39748496 QFIVNFRBSSRLCU-OAHLLOKOSA-N 404.913 4.577 0 40 HJAB CC(=O)NCCc1nc2ccccc2n1CCCCOc1ccc2ccccc2c1 39908621 UKLUDDKVOWVDDK-UHFFFAOYSA-N 401.510 4.727 0 40 HJAB Cc1cc([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)c(C)s1 40080814 MMHSEDUKBVTIOD-VGSWGCGISA-N 406.551 4.583 0 40 HJAB CC(=O)Nc1cccc(NC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)c1 43655364 BIIKJDUQDSHGAJ-UHFFFAOYSA-N 414.509 4.529 0 40 HJAB Cc1noc(-c2csc(S(=O)(=O)Nc3ccccc3C(F)(F)F)c2)c1C 44892741 AQEXQRSBPYNIOX-UHFFFAOYSA-N 402.419 4.840 0 40 HJAB COc1ccc(CNC(=O)C2CCN([C@@H](C)c3cccc4ccccc34)CC2)cc1 53313437 NTMTVRCCLOAJST-IBGZPJMESA-N 402.538 4.938 0 40 HJAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)Nc1ccc(N2CCCC2)cc1 58176686 LEOGSTGNLLVCQO-QHCPKHFHSA-N 409.530 4.805 0 40 HJAB CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nc(-c2ccccc2)cs1 58357246 KIKUZFCBMBPDMN-NRFANRHFSA-N 419.550 4.748 0 40 HJAB COc1ccccc1CN1CCC[C@@H]([C@H](NC(=O)c2ccccc2)c2nccs2)C1 72341441 MHLJWTHDLJMNJQ-IRLDBZIGSA-N 421.566 4.535 0 40 HJAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(Cc2ccncc2)C1 72391194 AQPWHURBPBIETE-RUZDIDTESA-N 419.594 4.723 0 40 HJAB c1ccc(-c2cnc3c(c2)[C@@H](N2CCCC2)n2nc(-c4cccnc4)nc2S3)cc1 72396302 HWHHXMBTWFYQON-QFIPXVFZSA-N 412.522 4.509 0 40 HJAB O=C(Cc1ccc(Cl)cc1)N1CCC2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 96202437 NHQMAQLMEPGBGC-UHFFFAOYSA-N 422.878 4.636 0 40 HJAB Cc1cc(Br)cc(Cl)c1OCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 105696496 OOGNZOFNGJOZQA-UKTARXLSSA-N 400.744 4.731 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 222399894 FNKGXTYOJVHBMT-QHCPKHFHSA-N 424.585 4.631 0 40 HJAB CCOc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Br 222582400 QZPFBMZQVLDJCL-JBBXEZCESA-N 418.360 4.832 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(OC)cc3)nc2C)cc1 223146200 CMZYQAXTGHVHPV-UHFFFAOYSA-N 419.481 4.670 0 40 HJAB CCCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223424174 CCJZGEXSZZWDHH-UHFFFAOYSA-N 424.950 4.918 0 40 HJAB Cc1cc(C(=O)Nc2cccc(F)c2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224005727 GIMPJYZYLSXYSG-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N(C)S(=O)(=O)c1ccccc1 224189391 MLBMIZZXWLESOS-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)c(C)c1 224983307 FXDZULBJNDGLJY-UHFFFAOYSA-N 404.713 4.529 0 40 HJAB Cc1cccc(CN2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)CC2)c1 225166002 DLTICJUVTBVQFR-UHFFFAOYSA-N 423.582 4.803 0 40 HJAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCCC1 225655157 DSMKLTGGEFSSAP-UHFFFAOYSA-N 402.579 4.865 0 40 HJAB S=C(NCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(Br)c1 225820299 NOGILKYTUZSWHC-UHFFFAOYSA-N 423.723 4.639 0 40 HJAB Cc1cc(C)nc(Nc2cccc(C(=O)N3CCc4cc(Br)ccc43)c2)n1 225914318 HNQSHAZHOLSUQV-UHFFFAOYSA-N 423.314 4.802 0 40 HJAB COc1ccccc1-c1cccc(C(=O)N(CCC(=O)O)CCc2ccccc2)c1 257223707 DYOOCWOLSXGXIT-UHFFFAOYSA-N 403.478 4.522 0 40 HJAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2)o1 257335688 YLKYPSSNXQZKGK-OAQYLSRUSA-N 424.472 4.546 0 40 HJAB Cc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCC[C@H](C)C4)cc3)s2)cc1 260769932 SSBHPWLCOWUQSG-KRWDZBQOSA-N 406.555 4.998 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 408640168 HYOHZVIBTKFNFW-FQEVSTJZSA-N 422.525 4.642 0 40 HJAB COc1ccc(CC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1OC 408921990 NLWNPTRVWWHKQB-UHFFFAOYSA-N 414.354 4.603 0 40 HJAB CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C(=O)O2)cc1 409008730 CPUQVSGCFFHERJ-JWGURIENSA-N 413.429 4.649 0 40 HJAB CCCCC1=NN(C(=O)CSCc2ccccc2Cl)[C@@](O)(C(F)(F)F)C1 409171634 BPPNMLJBOMBINP-INIZCTEOSA-N 408.873 4.603 0 40 HJAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 409338756 AGWVVLSBXFZZEP-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB O=c1c2cc(F)c(F)cc2ncn1Cc1ccc(Oc2ccccc2F)c(F)c1 522827902 HHVNDZYJAYBLJO-UHFFFAOYSA-N 400.331 4.794 0 40 HJAB C[C@@H](NCCNC(=O)c1cccc(Br)c1)c1cccc(-c2ccncc2)c1 540177917 NGDOYDMPCWTKHG-MRXNPFEDSA-N 424.342 4.592 0 40 HJAB CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1cccc2[nH]ncc12 1546147593 RRIFKBOJDVIPAZ-KRWDZBQOSA-N 416.447 4.713 0 40 HJAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 654006 CNJAHCBFFLHCBU-QGZVFWFLSA-N 408.523 4.655 0 40 HJAB O=C(Nc1cccc(O)c1)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 675097 ZASXHAMAXCSOQW-UKRRQHHQSA-N 408.405 4.563 0 40 HJAB Clc1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)c(Cl)c1 703961 HJZBBUFIXNVICN-UHFFFAOYSA-N 418.309 4.976 0 40 HJAB CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(-c2ccc(F)cc2)cs1 932827 YQBGHOGAMCRUDP-UHFFFAOYSA-N 416.474 4.642 0 40 HJAB Cc1sc2ncnc(SCC(=O)c3cc(C)n(C[C@H]4CCCO4)c3C)c2c1C 952427 PRGTUXIRGQAURP-MRXNPFEDSA-N 415.584 4.880 0 40 HJAB COc1ccc([C@H]2C(=O)c3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1OC 980136 XRISBRYUSHBIJR-BJKOFHAPSA-N 404.462 4.833 0 40 HJAB O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1cccc(F)c1 996072 IWQHOWHQHSZHFS-UHFFFAOYSA-N 420.469 4.510 0 40 HJAB COC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 997420 YZNIKPGSBQTWAR-OAHLLOKOSA-N 415.555 4.876 0 40 HJAB CC(=O)Nc1cccc(-c2nnc(SCc3c(C)cc(C)c(C(C)=O)c3C)n2C)c1 2207617 JXXVOYXUPUOZGB-UHFFFAOYSA-N 422.554 4.861 0 40 HJAB CC[C@H](C)COC(=O)c1c(N)n(-c2cccc(C(C)=O)c2)c2nc3ccccc3nc12 2263856 SCUKMYVETFTHLF-AWEZNQCLSA-N 416.481 4.561 0 40 HJAB O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 2561533 TYHIWMMPSBFXJM-UHFFFAOYSA-N 407.301 4.765 0 40 HJAB CC(=O)OCCSc1ccc(Oc2ccc(SCCOC(C)=O)cc2)cc1 3013387 HDLCWOHBAUWERW-UHFFFAOYSA-N 406.525 4.789 0 40 HJAB C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 3134699 LGZUNRPCLBOXCM-VIFPVBQESA-N 406.187 4.937 0 40 HJAB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(Cl)s1 3409046 JGWHNQWOLDCCIG-UHFFFAOYSA-N 414.737 4.924 0 40 HJAB CC(C)(C)c1ccc(-c2nnc(S[C@@H]3CCOC3=O)n2Cc2ccccc2)cc1 3457821 WJOFULYISXFZAC-LJQANCHMSA-N 407.539 4.699 0 40 HJAB COc1ccc(-c2nc3cc(NC(=O)Cc4ccc(OC)c(OC)c4)ccc3o2)cc1 4034846 RUKFQFDSWPNHGL-UHFFFAOYSA-N 418.449 4.702 0 40 HJAB COc1ccc(C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 4167076 DCCHPIMUYCZZBT-UHFFFAOYSA-N 406.429 4.810 0 40 HJAB COc1ccc(C2(CNC(=O)C(c3ccccc3)c3ccccc3)CCOCC2)cc1 5123741 VBGWJMZZIJZEAD-UHFFFAOYSA-N 415.533 4.692 0 40 HJAB biogenic O=c1cc(CSc2ncnc3sc(-c4ccccc4)cc23)nc2sccn12 5212825 ILSOXYOGIDNVDI-UHFFFAOYSA-N 408.533 4.720 0 40 HJAB CCN(C(=O)CSc1nnc(Nc2ccccc2OC)s1)c1ccc(F)cc1 5689192 HDOLKEUFZSAYDL-UHFFFAOYSA-N 418.519 4.575 0 40 HJAB CCc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2[C@H](C)COC)cc1 5985112 ADABJAIWQLLCIU-HZPDHXFCSA-N 410.539 4.530 0 40 HJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 6205980 LSHNFBUNLCZZGT-SFHVURJKSA-N 411.439 4.623 0 40 HJAB Cc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c1C 6207525 PQHHJCHAAXWIAB-HSZRJFAPSA-N 406.507 4.923 0 40 HJAB O=C(CSc1nncn1-c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 6790657 KJAUWYJVBPPIQT-UHFFFAOYSA-N 416.506 4.577 0 40 HJAB CCOc1ccc(/C=C2/SC(Nc3ccccc3Br)=NC2=O)cc1 6870288 PZOMPXMRHBHYCC-LFIBNONCSA-N 403.301 4.930 0 40 HJAB C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccccc1-c1ccccc1 6945056 ITBGYINGXWZRHT-LBPRGKRZSA-N 406.433 4.620 0 40 HJAB CCOc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)ccc1OC 6960376 SBXJFORGCFTFCK-WOJGMQOQSA-N 402.903 4.947 0 40 HJAB COc1cc(NC(=O)c2cccs2)c(C(=O)OCc2ccccc2F)cc1OC 7005507 FWNYLHVVVKDCLP-UHFFFAOYSA-N 415.442 4.514 0 40 HJAB Cc1sc2ncnc(SCC(=O)Nc3ccc(CN4CCCC4)cc3)c2c1C 7480595 QUPUDBHKNGHFFI-UHFFFAOYSA-N 412.584 4.635 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 7598071 RUGFSELCCHDIFL-UHFFFAOYSA-N 401.397 4.659 0 40 HJAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N[C@H]1CCCc2ccccc21 8230571 DZVBWVGVISLWPC-KKSFZXQISA-N 418.566 4.819 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C(=O)NC3CC3)c3ccccc3)o2)cc1 8394795 UKEBQRZBGDESMK-HXUWFJFHSA-N 422.554 4.695 0 40 HJAB CCCOc1ccc2c(c1)sc1ncc(NC(=O)c3ccc(Cl)cc3)c(=O)n12 9029141 NIGHNAUTBZCMIT-UHFFFAOYSA-N 413.886 4.604 0 40 HJAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccn4)ccc3c2C)cc1OC 9047143 WQHTVSGXGSFDBY-UHFFFAOYSA-N 416.433 4.637 0 40 HJAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(Br)cc3)n2C)cc1 9054333 QOQAWUVEQTVLLJ-CYBMUJFWSA-N 416.344 4.917 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c1 9135328 XLQHJHQMGLUZHC-UHFFFAOYSA-N 418.449 4.647 0 40 HJAB O=C(COc1ccc(C2SCCCS2)cc1)NCCCOCc1ccccc1 10103325 JKRSZBYFFYVMGK-UHFFFAOYSA-N 417.596 4.657 0 40 HJAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)C1 10322281 OMLYQGZFBRNTGP-SFHVURJKSA-N 420.513 4.587 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(F)cccc3F)cc2C)cc1 10363894 ZSYYLVZSBQJEGD-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB O=C(CSc1ccc(F)cc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 10867647 TWZJRKGDWBZONX-OAHLLOKOSA-N 402.516 4.740 0 40 HJAB COc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1OCc1ccncc1 12539550 HTOMDSAGOJTVEN-UHFFFAOYSA-N 409.511 4.647 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)N4C[C@@H](C)O[C@H](C)C4)cc3)sc2c1 12692040 LPMKVJILDYTVAH-BRWVUGGUSA-N 409.555 4.708 0 40 HJAB Cc1ccc(-c2csc3ncnc(NC4CCN(C(=O)c5ccco5)CC4)c23)cc1 12974642 PCFLRCKIDCHICH-UHFFFAOYSA-N 418.522 4.976 0 40 HJAB COC(=O)C1CCN(C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)CC1 13000062 WALSIFWHMIWYTH-UHFFFAOYSA-N 409.526 4.588 0 40 HJAB Cc1c(C)n(-c2cccnc2)c2ncn3nc(-c4ccccc4Br)nc3c12 13592651 YQMSTXIAXXXHGY-UHFFFAOYSA-N 419.286 4.510 0 40 HJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 13994470 WFEBQCHWLUEACH-NRFANRHFSA-N 424.522 4.592 0 40 HJAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)n1CC 14085440 OQIQMNUOJIMASW-UHFFFAOYSA-N 416.934 4.748 0 40 HJAB Cc1ccc(OCc2nc(CC(=O)N(C)Cc3cccc(Cl)c3)cs2)cc1 14680661 PJAPBACJHJQSID-UHFFFAOYSA-N 400.931 4.885 0 40 HJAB COc1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)c2ccccn2)cc1 15669881 CUBUXNWBJXLHJA-UHFFFAOYSA-N 420.852 4.697 0 40 HJAB COc1ccc(-c2nc(CNC(=O)c3ccccc3Br)cs2)cc1 15832644 AQQZTDFCIUUELP-UHFFFAOYSA-N 403.301 4.511 0 40 HJAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1OC 20110439 BQJWFKJHHWMRBF-GOSISDBHSA-N 405.922 4.654 0 40 HJAB O=C(O)COc1ccc(NC(=O)c2cccc(Cl)c2)cc1-c1nc2ccccc2o1 20157958 HDJBTKDQCDYAGN-UHFFFAOYSA-N 422.824 4.864 0 40 HJAB CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cccc(OC(F)F)c3)nc21 20605668 BPTVWULWWGZOJC-UHFFFAOYSA-N 417.359 4.761 0 40 HJAB CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 26121307 ULRDTTURKUCWII-UHFFFAOYSA-N 420.557 4.614 0 40 HJAB COc1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1 27990871 FHOYOXIPXNPTGT-UHFFFAOYSA-N 423.852 4.891 0 40 HJAB Cc1cccc(Cn2nccc2NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 30527329 RUCQIJSXDOVPEX-UHFFFAOYSA-N 414.513 4.695 0 40 HJAB O=C(Nc1cc(Cl)ccc1NS(=O)(=O)/C=C/c1ccccc1)c1ccco1 32098252 KXCRFMSSENKWJT-ZRDIBKRKSA-N 402.859 4.598 0 40 HJAB CCn1cc(C(=O)Nc2ccc(Br)cc2)c(=O)c2cc(Cl)ccc21 32598223 GZFVXFBXYOUCFA-UHFFFAOYSA-N 405.679 4.690 0 40 HJAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)NCCc1c[nH]c2ccccc12 36442631 GYVSISZYUAHFOY-HSZRJFAPSA-N 421.591 4.597 0 40 HJAB COc1ccc(-n2nc(C)c3c(C(=O)Nc4cccc(Cl)c4)cc(C)nc32)cc1 36616516 GLVQVEKMOBZDNY-UHFFFAOYSA-N 406.873 4.952 0 40 HJAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCN(Cc3ccc(F)cc3)C1)CC(C)(C)O2 44855214 FEHJMIGOEQMILR-UGKGYDQZSA-N 410.533 4.765 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1OCC 44905668 DSPGRHOYKSOWPS-QGZVFWFLSA-N 407.514 4.528 0 40 HJAB COC(=O)CC1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)CC1 48251348 DAPCQABWXUNAQA-UHFFFAOYSA-N 418.493 4.732 0 40 HJAB O=C(NCc1cn2cc(Cl)ccc2n1)c1ccccc1C(=O)c1ccc(Cl)cc1 48287727 MADYJYYBVLXRNW-UHFFFAOYSA-N 424.287 4.802 0 40 HJAB CCOc1ccccc1Oc1coc2c3c(ccc2c1=O)OCN(Cc1ccco1)C3 54313527 BITJNAZSSHOKGT-UHFFFAOYSA-N 419.433 4.929 0 40 HJAB biogenic Cc1nc(-c2ccco2)nc2sc(C(=O)NCc3ccc([C@@H](C)O)cc3)c(C)c12 65591576 MRMQPCMTFIOCCT-CQSZACIVSA-N 407.495 4.551 0 40 HJAB Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccccc3)nc3ccsc3c2=O)c1 67216975 YCOVTFTXXNCXJJ-UHFFFAOYSA-N 421.547 4.795 0 40 HJAB CCCC(=O)Nc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccs2)cc1 71960177 IPKCLUSDMIJRDJ-UHFFFAOYSA-N 421.522 4.669 0 40 HJAB C[C@@H](Nc1c(C(=O)N2CCSCC2)cnc2ccc(F)cc12)c1ccc(F)cc1 72328516 WAKRQLWNRBBBSE-CQSZACIVSA-N 413.493 4.875 0 40 HJAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)CCn4ccnc4C)C3)c2)c1 72354060 KPYSFICOWAHIOT-XMMPIXPASA-N 416.569 4.590 0 40 HJAB CSc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 102597267 AOIRXVZAKUNURP-SPLOXXLWSA-N 404.495 4.771 0 40 HJAB Cc1cc(C)cc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c1 108015008 PWHMEADRIYZIMJ-HSZRJFAPSA-N 406.507 4.923 0 40 HJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccc(OC)c(OC)c1 219337612 GJWSIZZWQKPPSS-OAQYLSRUSA-N 407.510 4.763 0 40 HJAB CC1(C)C[C@@H](NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c2ccccc2O1 219469308 JVXZZAZXYPMRGY-HXUWFJFHSA-N 414.505 4.999 0 40 HJAB Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4cccc(C)c4C)ccc32)cc1 223374087 QZTJLOMAJQTYKK-UHFFFAOYSA-N 420.534 4.616 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 223793207 DIGMSGMNAHASLZ-OAQYLSRUSA-N 418.940 4.745 0 40 HJAB Cc1cccc(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 224052092 OSWCDDPSKGZKOX-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 224355160 JKSWRUZKJRXRQQ-NRFANRHFSA-N 416.562 4.560 0 40 HJAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(C(C)C)cc1 224362858 PVBZDXPPMKWQRS-DHIUTWEWSA-N 420.582 4.830 0 40 HJAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2OC)c1C 224563303 RNHJIJGQRRFIEC-YADHBBJMSA-N 406.555 4.706 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCCC1 224704563 WLRVXRYJLBXBDA-IBGZPJMESA-N 410.533 4.543 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C 225087023 LCIBQTKABFWLNQ-FQEVSTJZSA-N 421.368 4.868 0 40 HJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225446139 WGJBSBGKZIILPL-DEOSSOPVSA-N 424.585 4.565 0 40 HJAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1nnc(-c2ccc(Cl)cc2)s1 225808579 BLSBVMMWJRYRCQ-UHFFFAOYSA-N 420.881 4.611 0 40 HJAB Cc1cc(I)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 243728143 PRXKHFWRLCFDJY-NSHDSACASA-N 415.658 4.659 0 40 HJAB C[C@H]1[C@H](C)CCC[C@H]1n1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 253565226 HLOYQJFECJUBSL-QWQRMKEZSA-N 407.905 4.757 0 40 HJAB O=C(N1CCC2(CC1)C[C@H](Oc1ccccc1)CO2)C1(c2ccc(F)cc2)CCCC1 257237600 HHEUMWQNEFPWEP-QHCPKHFHSA-N 423.528 4.867 0 40 HJAB CC(C)c1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)no1 257283390 OYCJEUVEUSTOSN-HDJSIYSDSA-N 400.504 4.613 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)c1 408673959 WNDQLVKBMNMXBJ-BOUXLOLZSA-N 408.885 4.602 0 40 HJAB CCOc1cc(CNc2cc(Cl)ccc2C)cc(I)c1O 409110668 FUODFJWGJAQLLC-UHFFFAOYSA-N 417.674 4.969 0 40 HJAB CCN1C(=O)S[C@H](Cc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C1=O 409147452 XWTYYMMJBIPWOT-QGZVFWFLSA-N 423.893 4.693 0 40 HJAB O=C1S/C(=C/c2cc3ccccc3oc2=O)C(=O)N1Cc1ccc(F)cc1Cl 409352505 ZITBRZVUKRYXLA-CAOOACKPSA-N 415.829 4.822 0 40 HJAB COCc1ccccc1-c1ccc2c(c1)C1(CCOCC1)CN2C(=O)c1cc(C)on1 585105759 JFBNETZSGXEASI-UHFFFAOYSA-N 418.493 4.505 0 40 HJAB C[C@]12C[C@@H]3N[C@H]1CCC[C@H]2N(C(=O)c1cc2cc(F)ccc2[nH]1)[C@H]3Cc1ccccc1 2037845523 AAQIBZANIXKEDD-LSHRBJLDSA-N 417.528 4.663 0 40 HJAB COc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 798557 DCTWWBKPTASNMK-UHFFFAOYSA-N 414.505 4.853 0 40 HJAB C[C@H](NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2)c1ccccc1 918515 DBCALZNRLMASGI-JDFRZJQESA-N 404.392 4.627 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(O)c2)n2nc(-c3ccccc3)nc2N1 950575 LHWLWOBWRTWWEA-JOCHJYFZSA-N 423.476 4.578 0 40 HJAB CC[C@@H](C)COC(=O)c1c(N)n([C@H](C)c2ccccc2)c2nc3ccccc3nc12 2220861 PGKNGIDFLQGFTC-HZPDHXFCSA-N 402.498 4.979 0 40 HJAB O=C(c1ccc2c(c1)OCCOCCOCCO2)C(c1ccccc1)c1ccccc1 2268482 HHIXYYPBADOWQT-UHFFFAOYSA-N 418.489 4.506 0 40 HJAB Cc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nnc2-c2cccc(C)c2)cc1 2625932 FCYPJRXPFHQPCM-UHFFFAOYSA-N 419.510 4.578 0 40 HJAB O=C(N[C@@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1ccc(F)cc1 2682443 YTBMKVWWMBSRMN-HXUWFJFHSA-N 416.374 4.895 0 40 HJAB Cc1cc(C(F)F)nn1[C@@H](C)c1nnc(Nc2ccn(Cc3ccccc3)n2)s1 2731302 VJUMWBYFMPMHGE-ZDUSSCGKSA-N 415.473 4.578 0 40 HJAB Cc1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C)c(C)c1 3223810 VGXUMOJRFBJLPU-UHFFFAOYSA-N 412.489 4.555 0 40 HJAB CCOc1ccc(Nc2ncccc2C(=O)OCC(=O)c2ccc(Cl)s2)cc1 3274504 IBFYXTJKCFVQJH-UHFFFAOYSA-N 416.886 4.979 0 40 HJAB COc1ccc(C(=O)CSc2nnc(Nc3cccc(C)c3C)s2)cc1OC 3376191 KNFQAQNFCRKWSZ-UHFFFAOYSA-N 415.540 4.891 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2C)cc1 3495738 BZXIWTQSRYWHNJ-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 3549344 VTPCPTNPYZDGCR-UHFFFAOYSA-N 414.914 4.808 0 40 HJAB CCOC(=O)c1c(NC(=O)CSc2cn(C)c3ccccc23)sc2c1CCC2 3581796 IXEVHKAOCHLBTD-UHFFFAOYSA-N 414.552 4.636 0 40 HJAB O=C1[C@H]([C@H](O)c2c(Cl)cccc2Cl)C(C(F)(F)F)=NN1c1ccccc1 3848969 FFQYGZXPGZSGTG-ZIAGYGMSSA-N 403.187 4.608 0 40 HJAB biogenic CC[C@H](C)Sc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1C 4062267 VJGVRTRTBQBPIO-HNNXBMFYSA-N 410.568 4.891 0 40 HJAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(Br)c2)CSC3)cc1 4175965 SYLNZILRRLQDBD-UHFFFAOYSA-N 414.328 4.942 0 40 HJAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)c(C)c1 4556258 ZBFZEDMBHXLXCI-MHZLTWQESA-N 413.517 4.928 0 40 HJAB CC(C)c1ccccc1-n1c(SCC(=O)c2ccc[nH]2)nc2ccccc2c1=O 4979696 NIYKGMZYBZURSC-UHFFFAOYSA-N 403.507 4.812 0 40 HJAB Cc1cc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)c2ccccc2n1 5269408 RMYWLVPHDBRZEV-UHFFFAOYSA-N 403.869 4.659 0 40 HJAB Cc1ccc(-c2noc(CNC(=O)c3c(-c4ccccc4Cl)noc3C)n2)cc1 5428058 RXLIKKANIZVNTB-UHFFFAOYSA-N 408.845 4.592 0 40 HJAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(OCc3cscn3)cc2)cc1 6589961 LIMUNHFIGPHYKY-OAHLLOKOSA-N 411.479 4.549 0 40 HJAB Cc1ccc(N2C(=O)CS[C@]23C(=O)N(Cc2ccccc2F)c2ccccc23)cc1 6997219 BXSBIELASSFPIY-XMMPIXPASA-N 418.493 4.614 0 40 HJAB Cc1cc(-c2nnc(CSc3nnc(-c4ccccc4F)n3C3CC3)o2)c(C)o1 7047585 WRNIUZJKBYYZQF-UHFFFAOYSA-N 411.462 4.971 0 40 HJAB CCOc1ccccc1NC(=O)[C@@H](Sc1nnnn1C1CCCC1)c1ccccc1 8230772 LOOZHVVEQNSQOR-FQEVSTJZSA-N 423.542 4.659 0 40 HJAB COc1ccccc1Cn1c([C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 8845048 PHIBVRCUQGRKTR-FQEVSTJZSA-N 411.505 4.922 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1 8959307 ZTGGSEZDXATAQO-UHFFFAOYSA-N 424.541 4.810 0 40 HJAB O=C(NCCCNC(=O)c1ccc(-c2cccc(Cl)c2)o1)c1cc2ccccc2[nH]1 9355916 GQIZZBYTAZTXKW-UHFFFAOYSA-N 421.884 4.631 0 40 HJAB CC(C)c1cc(C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)no1 12127828 AOGGNIPRXQMFKN-UHFFFAOYSA-N 409.534 4.676 0 40 HJAB COc1cccc(-n2ccc3c(cnc4c(-c5ccc(Cl)cc5)c(C)nn43)c2=O)c1 12409928 MFVLGQUFGVAFDC-UHFFFAOYSA-N 416.868 4.671 0 40 HJAB CSc1cccc(N2C(=O)N(Cc3ccccc3)c3ccccc3S2(=O)=O)c1 12414815 DXGJFJPIJDFGAJ-UHFFFAOYSA-N 410.520 4.744 0 40 HJAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1 12541280 MMMKDVASMHBYQQ-UHFFFAOYSA-N 405.498 4.763 0 40 HJAB CC(C)[C@H](NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O)c1ccccc1 12747537 WWVDOOAEWWTISW-QFIPXVFZSA-N 417.534 4.639 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2csc(-c3ccsc3)n2)c1 12891631 RTTGIZDBEFTEDM-QGZVFWFLSA-N 400.525 4.866 0 40 HJAB CC[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(Br)cc1 12901485 JGOXVEFBMFFVDF-AWEZNQCLSA-N 407.333 4.740 0 40 HJAB CSc1nc(C)c(CCC(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c(C)n1 12905948 WPNIQDJWLWOEGS-UHFFFAOYSA-N 424.497 4.724 0 40 HJAB COc1cc2cc(CNc3ccc(N4C[C@H](C)C[C@@H](C)C4)cc3)c(=O)[nH]c2cc1OC 13563113 DZJRJALLTABBSH-IAGOWNOFSA-N 421.541 4.640 0 40 HJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc2cccc(OC)c2o1 13690059 RAQJKENFLRNFBX-UHFFFAOYSA-N 406.394 4.548 0 40 HJAB biogenic O=c1c2sc3nc(-c4ccco4)c4c(c3c2ncn1CCc1ccccc1)CCC4 13726515 WPHAKIPGMIJMHO-UHFFFAOYSA-N 413.502 4.998 0 40 HJAB COc1cc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2cccnc2)ccc1OC1CCCC1 19550120 NGHSONWJJVQOSQ-KMXBQNHCSA-N 422.569 4.531 0 40 HJAB CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)Nc3ccccc3OCc3ccccn3)c2C1 19666198 HURWYDZNMLDCBV-MRXNPFEDSA-N 404.514 4.787 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(CN4CCOCC4)cc3)n2)c(C)c1 22795593 IODIAWHZAAPAGY-UHFFFAOYSA-N 421.566 4.820 0 40 HJAB Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCN(Cc2csc3ccccc23)CC1 22930196 ONJLTHVMQITBMR-LJQANCHMSA-N 407.583 4.663 0 40 HJAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 23787698 MMFQLHRVOWZAMH-UHFFFAOYSA-N 408.523 4.594 0 40 HJAB COC(=O)c1cc2ccccc2cc1OC(=O)CCCc1nc(-c2ccccc2)no1 27452524 YLQLPUVRJHLEGI-UHFFFAOYSA-N 416.433 4.605 0 40 HJAB COc1ccc(CN(C)C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 30946094 SRHWQESZUAZFKL-SFHVURJKSA-N 421.368 4.873 0 40 HJAB CC(C)c1noc(-c2ccc(OCC(=O)NCc3cccc(C(F)(F)F)c3)cc2)n1 32578889 VLMRJSVBFFYYHU-UHFFFAOYSA-N 419.403 4.574 0 40 HJAB COC(=O)c1cc(-c2ccccc2)nc2c1c(=O)[nH]c(=S)n2-c1cccc(C)c1C 36617238 HXTLIHFJKFTKDB-UHFFFAOYSA-N 417.490 4.514 0 40 HJAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(OCCSc2ccccc2)cc1 44846088 LZNWNNITUZAVAA-UHFFFAOYSA-N 407.491 4.516 0 40 HJAB Cn1cc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c2ccccc21 49506158 DDVOPFLDQCDGIW-UHFFFAOYSA-N 423.516 4.953 0 40 HJAB O=S(=O)(c1ccc(Br)s1)N(Cc1ccsc1)Cc1ccco1 49521701 CBEZYIMTLOHEIO-UHFFFAOYSA-N 418.359 4.556 0 40 HJAB CC(=O)c1cc(CCC(=O)NCc2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)oc1C 58156034 SNWGNJVGZWYHGP-ROUUACIJSA-N 410.558 4.518 0 40 HJAB Cc1cc(=O)oc2cc(NC(=O)N(C)Cc3ccc(Br)cc3)ccc12 58184015 DPBFCZNNTZROQG-UHFFFAOYSA-N 401.260 4.528 0 40 HJAB CCCOc1ccc(Oc2ncccc2CNC(=O)c2cnc3ccccc3n2)cc1 59309056 HRLKTXSPTGDCRO-UHFFFAOYSA-N 414.465 4.536 0 40 HJAB Cc1nc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n(C2CCCCC2)c1C 65554599 JGXJTFVJSNSZPM-UHFFFAOYSA-N 400.466 4.998 0 40 HJAB CC[C@@H](C)n1c(SCC(=O)Nc2ccc(C)cc2C)nc2ccsc2c1=O 67335107 ADKJIOWSDSTCAH-CQSZACIVSA-N 401.557 4.777 0 40 HJAB Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)n2)n1 72375298 RJVXSBPKBZFHHC-HXUWFJFHSA-N 417.538 4.978 0 40 HJAB C[C@H]1CN(c2ccc(CNc3nc4cc(C(F)(F)F)ccc4s3)cn2)C[C@@H](C)O1 78904409 ADTQSGNYHWPWKI-BETUJISGSA-N 422.476 4.936 0 40 HJAB COc1ccc(C(=O)N2CCC(Cn3nc(C)cc3C)CC2)cc1-c1ccccc1 89594136 HMLFHCPQJHHHOK-UHFFFAOYSA-N 403.526 4.728 0 40 HJAB O=C(c1ccccc1Nc1ccc(SC(F)F)cc1)N1CCC2(CC1)OCCO2 95377395 CXBKABDDTUVAHN-UHFFFAOYSA-N 420.481 4.724 0 40 HJAB Cc1cc(C)n(C[C@H](C)CN[C@@H](c2ccc(Br)cc2)c2ccco2)n1 95996288 CRWNGSXHDOHYIP-VLIAUNLRSA-N 402.336 4.871 0 40 HJAB CC[C@H](C(=O)N1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1)c1ccccc1 98211744 NQELFAZFPINZGA-FQEVSTJZSA-N 408.933 4.573 0 40 HJAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3C[C@@H]3C)CC2)on1 100743899 ZGODBYAMLAUZPF-OWLYRPNTSA-N 410.562 4.784 0 40 HJAB O=CN(CCCC[C@@H]1C(=O)N[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1)c1ccccc1 102679333 HSUJEVIVQKZGOF-JBXUNAHCSA-N 404.554 4.908 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118932778 VCWDOHJFKGOMRJ-HPLRMRPBSA-N 402.575 4.983 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222847009 OYACCSDUVJZTPF-GOSISDBHSA-N 414.977 4.913 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)CC(C)(C)O2 222856023 FGETXHZIFOXHFQ-LIRRHRJNSA-N 403.906 4.843 0 40 HJAB CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223274473 JHDUOFKLQUMINE-XMMPIXPASA-N 424.585 4.598 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)cc1C 223779857 MRNSHSHQSKEDCW-OAQYLSRUSA-N 406.570 4.630 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccccc1 223957094 YJEDEUKFRXASJU-QFIPXVFZSA-N 408.523 4.677 0 40 HJAB Cc1ccc(CN(C(=O)CCSc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 224177550 CPRULHGTDFTTTC-FQEVSTJZSA-N 412.599 4.667 0 40 HJAB COc1cccc(OCc2cc(C(=O)NCc3ccc(Cl)cc3)ccc2OC)c1 224250314 DVVYRWCLEHMZTA-UHFFFAOYSA-N 411.885 4.866 0 40 HJAB O=C(NCCOCc1ccccc1)c1ccc(OCCSc2ccccc2)cc1 224380968 QXBPWDPRIALIEN-UHFFFAOYSA-N 407.535 4.804 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccc(C)cc1 224469096 YXCKZRJGMHIJFW-UHFFFAOYSA-N 419.477 4.996 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 225091615 WGURSFCJQYGMMJ-ROUUACIJSA-N 400.950 4.523 0 40 HJAB Cc1ccc(SCCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)cc1 225478528 NORLEWKFWUUZFJ-HXUWFJFHSA-N 412.599 4.728 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C)c(N2CCCC2=O)c1 225576655 ZBJZHKHSSKCMDD-HSZRJFAPSA-N 406.526 4.797 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 225590671 PVTZVIJDXAEUKE-LJQANCHMSA-N 412.549 4.824 0 40 HJAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCc2cc(Br)ccc21 225898496 SQDIDNMGVYWQAZ-UHFFFAOYSA-N 403.663 4.960 0 40 HJAB COc1cccc(N(C)C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c1 225907719 YMWJZKFUKVEKSH-INIZCTEOSA-N 407.341 4.877 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1 408689939 ZTMZXBJIDDEFHA-ZLXGRDSLSA-N 408.885 4.602 0 40 HJAB CC1CCN(C(=O)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)CC1 408978843 NNXSKUXTUVUZMG-UHFFFAOYSA-N 400.486 4.884 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Cl)c2)C1=O)c1ccc(Cl)cc1 409353204 IBMGZMWPVSUSJM-LZYBPNLTSA-N 408.262 4.618 0 40 HJAB CC[C@@](C)(NCCc1c[nH]c2ccccc12)c1nnnn1-c1c(C)cc(C)cc1C 575443839 LZZWJWUUWIEVOV-XMMPIXPASA-N 402.546 4.526 0 40 HJAB Cn1cc(-c2nc(C(=O)NCC3(c4cccc(Cl)c4)CCCCC3)cs2)cn1 1587849965 BQEVWBNLMFMGTL-UHFFFAOYSA-N 414.962 4.829 0 40 HJAB O=c1c2c(n(-c3ccc(Cl)cc3)c(=S)n1-c1ccc(Cl)cc1)OCCC2 646874 MFHMAQWYCKGKNT-UHFFFAOYSA-N 405.306 4.989 0 40 HJAB COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl 682512 GCOZIEGUVVCMCH-VIFPVBQESA-N 402.661 4.839 0 40 HJAB O=C(Nc1cccc(O)c1)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F 866037 WFFOLPFLWDPYPC-DLBZAZTESA-N 420.366 4.640 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)NC2CCCC2)n1[C@H](C)c1ccccc1 1361209 RZLMFKISIUUFRY-OAHLLOKOSA-N 410.543 4.607 0 40 HJAB COC(=O)c1c(NC(=O)CSc2ccccn2)sc2c1CC[C@@H](C(C)(C)C)C2 1438011 QXXKICNLEKAROL-CYBMUJFWSA-N 418.584 4.812 0 40 HJAB CCCCCCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(C)cc1 1723532 FMVKAGXFZXUQEH-UHFFFAOYSA-N 403.544 4.947 0 40 HJAB CCCCCOC(=O)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 2062893 LGRBOYRYINEKAM-UHFFFAOYSA-N 413.084 4.630 0 40 HJAB CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(C)(C)OC3 2271889 SQBNXGFLORTUCF-UHFFFAOYSA-N 400.569 4.664 0 40 HJAB C[C@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)CCCC2 2307012 CBFBHHZVDKOUNK-SFHVURJKSA-N 418.537 4.599 0 40 HJAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(Br)cc2)c1 2468174 JDJNGFSEZDIQNL-UHFFFAOYSA-N 416.344 4.982 0 40 HJAB Cc1cccc(-n2c(SCC(=O)NC3CCCCC3)nnc2-c2ccccc2)c1 2685414 HTFJHYMOGVTGJF-UHFFFAOYSA-N 406.555 4.784 0 40 HJAB O=C(Nc1ccccc1)N1CCC(C(=O)N(Cc2ccco2)Cc2cccs2)CC1 3486592 PJGPZSDFHANECM-UHFFFAOYSA-N 423.538 4.814 0 40 HJAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3496140 UZJGWDYGHBHWSW-VIFPVBQESA-N 400.813 4.521 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@@H]3CC(=O)[C@]12C 3850267 VKYNIUNDLMIOEQ-XNNXMROTSA-N 402.575 4.983 0 40 HJAB CC(C)(C)NC(=O)O[C@H]1CS[C@@H]2c3ccccc3C(=O)N2Cc2sccc21 4108893 PWDISRYZBGDCPW-MAUKXSAKSA-N 402.541 4.715 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)N1CCN=C1SCc1cccc(F)c1 4119896 NDLPECOHOYQZKS-UHFFFAOYSA-N 413.301 4.643 0 40 HJAB CCc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)c2ccco2)cc1 4240726 WUOWNYKZKISGCT-QHCPKHFHSA-N 420.509 4.878 0 40 HJAB c1ccc(CC2CCN([C@@H](c3cccnc3)c3nnnn3C3CCCCC3)CC2)cc1 4395480 KLNUTRMSEYXXJB-DEOSSOPVSA-N 416.573 4.617 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 4593020 CCXMAIQMKCESJC-UHFFFAOYSA-N 404.441 4.680 0 40 HJAB C[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1cccc(Cl)c1 4997207 FPZJAZFLROKPEC-LBPRGKRZSA-N 412.902 4.841 0 40 HJAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(OC)c1 5477802 IUEZUNXOVGALLA-UHFFFAOYSA-N 410.543 4.630 0 40 HJAB CCCCCn1c(O)c(C(=O)Nc2cc(Cl)ccc2OC)c(=O)c2ccccc21 5736214 CIHPHAMOIOJLIH-UHFFFAOYSA-N 414.889 4.812 0 40 HJAB Cc1ccc(NC(=O)COC(=O)/C=C/c2cccc(Cl)c2)c(Br)c1 5745729 PKWLNBGRABNWMT-SOFGYWHQSA-N 408.679 4.606 0 40 HJAB Cc1ccc(C)c(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)c1 6083848 HGXMZLTUTHLYJU-UHFFFAOYSA-N 410.297 4.951 0 40 HJAB CCCCn1nc(C(=O)Nc2nc(-c3ccccc3)cs2)c2ccccc2c1=O 6338024 JQWRALIFSUYDCN-UHFFFAOYSA-N 404.495 4.572 0 40 HJAB C[C@@H]1CSC(N(C(=O)/C=C/c2ccc3c(c2)OCO3)c2ccc(Cl)cc2)=N1 6579258 SMEYJOVUDUOMCO-XOUYHXJHSA-N 400.887 4.606 0 40 HJAB Cc1c(CC(=O)NCCC(C)C)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 6760658 DLRNQHFGRGMOCZ-UHFFFAOYSA-N 411.542 4.834 0 40 HJAB CCCCNc1nnc(SCC(=O)Nc2cc(C(C)(C)C)ccc2OC)s1 7061820 SYMUJVFOTIYOLV-UHFFFAOYSA-N 408.593 4.787 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1cccc(Cl)c1Cl 7914890 YNIACPNPSLVTLL-UHFFFAOYSA-N 417.340 4.866 0 40 HJAB COc1ccc2ccc(OC)c(C[C@@H]3SC(=O)N(Cc4ccccc4)C3=O)c2c1 8166483 JSDHBAOIJYNSHV-NRFANRHFSA-N 407.491 4.664 0 40 HJAB CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 8236024 QVGMBMPWNSAWJQ-MRXNPFEDSA-N 413.827 4.533 0 40 HJAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 8427999 FTHHCNSYAVDQKV-QHCPKHFHSA-N 402.494 4.659 0 40 HJAB C[C@H](C(=O)NCc1ccccc1Cl)N1CCC(c2nc3ccccc3s2)CC1 8533022 VQDFXACHPHVECQ-OAHLLOKOSA-N 413.974 4.834 0 40 HJAB COc1ccc(N(Cc2cccs2)C(=O)CN2CCc3sccc3[C@H]2C)cc1 8981661 NYZBEEUDPWNCKS-MRXNPFEDSA-N 412.580 4.971 0 40 HJAB Fc1cc(F)c2nc(N3CCN(c4nc5c(F)cc(F)cc5s4)CC3)sc2c1 9381992 MJNHNOXFARLULG-UHFFFAOYSA-N 424.448 4.789 0 40 HJAB CCOC(=O)[C@H](C)Oc1cc2c(-c3cc4cccc(OC)c4o3)cc(=O)oc2cc1C 9708074 OROFLJOBLXMADI-AWEZNQCLSA-N 422.433 4.854 0 40 HJAB biogenic CCCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccncc1 9813150 VFEDZHAKXRWRAF-UHFFFAOYSA-N 422.341 4.788 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(C)c1 10009730 DSUJNUGWOLSCIO-UHFFFAOYSA-N 400.525 4.726 0 40 HJAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 10119931 PTLSSSFNJGBSSS-IZZDOVSWSA-N 419.510 4.637 0 40 HJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(OC[C@H]4CCCO4)cc3)s2)cs1 10215283 NWGZKKHPXBAKCR-QGZVFWFLSA-N 414.552 4.668 0 40 HJAB COc1ccc(Cl)cc1C(=O)OCc1nc(-c2cccc(C(F)(F)F)c2)no1 10400443 KRMJWWBDQLSTSK-UHFFFAOYSA-N 412.751 4.774 0 40 HJAB Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)c3ccccn3)cc2)on1 12159081 XLTDWRQCHXJRJF-UHFFFAOYSA-N 413.481 4.555 0 40 HJAB O[C@]12CCCC[C@@H]1C1(CCCCC1)NC(=S)N2Cc1ccccc1C(F)(F)F 12389153 KYCXZQJJARAALM-YLJYHZDGSA-N 412.521 4.977 0 40 HJAB CC(C)c1ccc(-c2nnn(CC(=O)Nc3c(Cl)cccc3C(F)(F)F)n2)cc1 12797766 RSEBRLYXTBDJQD-UHFFFAOYSA-N 423.826 4.774 0 40 HJAB Cc1ccc2c(C)c(CCC(=O)N[C@H]3CCSc4ccc(F)cc43)c(=O)oc2c1 12857924 TTXVCNKPULBJCM-IBGZPJMESA-N 411.498 4.835 0 40 HJAB CC(C)(C)c1ccc2[nH]c(=O)c(CNc3ccc(C(=O)N4CCCC4)cc3)cc2c1 13561293 CFJHVPSFQIKJBK-UHFFFAOYSA-N 403.526 4.674 0 40 HJAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C 13682856 YBYWBGRKAXWAFN-UHFFFAOYSA-N 408.523 4.594 0 40 HJAB O=C(CN1CCC[C@H]1c1cccs1)N1CCC[C@@H](c2nc3ccccc3s2)C1 14128592 WKPACDBSEVPPRR-AEFFLSMTSA-N 411.596 4.901 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](c1ccco1)N1CCCC1 14233181 KIQLWFFSWDYZFI-MRXNPFEDSA-N 417.868 4.602 0 40 HJAB Cc1ccc(OCCSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 14676145 LVHPFOSDHKZDFT-UHFFFAOYSA-N 406.486 4.948 0 40 HJAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COc1ccccc1OC 14738326 BFDUANZHEGPBRZ-UHFFFAOYSA-N 415.467 4.519 0 40 HJAB COc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)cc4C)nccn3n2)cc1 17025825 PVDQDLURUFHXCO-UHFFFAOYSA-N 418.522 4.753 0 40 HJAB COc1cccc([C@@H](NC(=O)c2cccc(Cn3ccnc3C)c2)c2ccccc2)c1 19288208 LEFDKSJCMNSGIS-VWLOTQADSA-N 411.505 4.768 0 40 HJAB Fc1cccc(Nc2noc3c2CN(Cc2ccc(Oc4ncccn4)cc2)CC3)c1 19294035 NAFWXRHDRFHMIB-UHFFFAOYSA-N 417.444 4.698 0 40 HJAB CCCC(=O)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19501331 LSYMEADEACKFEA-FQEVSTJZSA-N 405.477 4.885 0 40 HJAB COc1ccc2c(c1)C[C@H](C(=O)N1CCc3sccc3[C@H]1c1cccs1)CO2 19562417 DLWDWVGFWSGDAG-BTYIYWSLSA-N 411.548 4.544 0 40 HJAB Cc1nn(CC(C)C)c2sc(C(=O)N(C)Cc3ccccc3N3CCCC3)cc12 23908018 LELOHJPPAZRPKM-UHFFFAOYSA-N 410.587 4.935 0 40 HJAB CCOc1ccc(CN(C)C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 24984099 AHUNMABEEDTPHX-HSZRJFAPSA-N 412.530 4.785 0 40 HJAB O=C(NCc1ccc(N2CCCC2=O)cc1)N[C@@H](c1ccc(F)cc1)c1cccs1 32795023 XTWHIZGTSPDYFD-QFIPXVFZSA-N 423.513 4.603 0 40 HJAB O=C(Cc1csc(COc2ccccc2)n1)Nc1ccc(N2CCCCC2)cc1 33326301 VMENCYGFNIYFLZ-UHFFFAOYSA-N 407.539 4.894 0 40 HJAB Cc1cc(C)n(-c2ccc(CCC(=O)Nc3ncc(-c4ccc(F)cc4)n3C)cc2)n1 35322678 AGJCZOBKSSRJFA-UHFFFAOYSA-N 417.488 4.600 0 40 HJAB COc1ccc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1 36611708 UESNBVGKPZGNAQ-INIZCTEOSA-N 400.482 4.537 0 40 HJAB Cc1ccc(CN2CCC(C(=O)NCCSCc3ccc(Cl)cc3)CC2)cc1 39749918 JLPMPXDWARJKSY-UHFFFAOYSA-N 417.018 4.910 0 40 HJAB Cc1cc2nc(CSc3ccccc3NC(=O)/C=C/c3ccccc3)cc(=O)n2o1 41085580 IVMZIEFLAOHCKH-VAWYXSNFSA-N 417.490 4.540 0 40 HJAB CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccccc2F)CC1 44851607 WJMWEJZPMMFJAY-UHFFFAOYSA-N 412.549 4.576 0 40 HJAB COC(=O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2OC)o1 57353788 YAHPKVXLHJPAFG-GQCTYLIASA-N 416.065 4.666 0 40 HJAB CC1CCN(C[C@H]2CCCN(C(=O)Nc3nnc(C4CCCCC4)s3)C2)CC1 58191941 WCVUWGJGXGDXEX-QGZVFWFLSA-N 405.612 4.562 0 40 HJAB COc1ccc(-c2nc(NC(=O)c3cccnc3N3CCCCC3)sc2C)cc1 58406497 VSJZYEXHIHSIAW-UHFFFAOYSA-N 408.527 4.765 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)c(C)c3)o2)cc1 59200580 YZGGPAOGSUANOX-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB O=c1c2ccccc2nc(SCc2ccc3c(c2)OCO3)n1CCc1ccccc1 67259303 INFGUMCHQVRLHP-UHFFFAOYSA-N 416.502 4.660 0 40 HJAB CCN(CC)Cc1ccc(CNC(=O)N(C)Cc2ccc(Br)s2)cc1 71816271 IHIMWAAAWVXLEE-UHFFFAOYSA-N 424.408 4.694 0 40 HJAB O=C(NC1CCN(CC2CCCCC2)CC1)c1ccc(COc2ccc(F)cc2)o1 71840007 LMIUOMLWTUAIRH-UHFFFAOYSA-N 414.521 4.772 0 40 HJAB CCCCc1noc(CN2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)n1 71889312 NKGNIEHURSDSGU-QFIPXVFZSA-N 424.589 4.709 0 40 HJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 72377046 QDIDSMVCGCNEBE-FQEVSTJZSA-N 424.907 4.815 0 40 HJAB CCSc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 95460943 AOULGZJVRBEMBA-CYBMUJFWSA-N 405.955 4.790 0 40 HJAB CCN(Cc1ccccc1)C(=O)[C@@H]1c2c(ncn2C(C)C)CCN1Cc1ccccc1 96037482 YXHVOOJOXIICIC-VWLOTQADSA-N 416.569 4.612 0 40 HJAB CCCC[C@@H](CC)CNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 98073001 MCVRCRBOYWVYNQ-LLVKDONJSA-N 416.303 4.963 0 40 HJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccccc3OC)N21 222683753 IJIZHLNZZIEXKY-WQTXXOFMSA-N 404.539 4.860 0 40 HJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 223003951 UBDAVWKGJWWMFD-IBGZPJMESA-N 413.905 4.823 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 223043525 BBJXVJQYSSJVAA-KRWDZBQOSA-N 418.940 4.664 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 223236851 JHMOSTPCUPOFJO-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB CCOc1cccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)c1 223848666 RBJIALVNXXLGSA-JCMHNJIXSA-N 420.534 4.543 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225011286 MQRIXFRMKRVFCY-HZPDHXFCSA-N 421.368 4.868 0 40 HJAB CCOC(=O)c1cc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)ccc1Cl 225642651 WORRQHDIZLOFPM-AWEZNQCLSA-N 406.935 4.579 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2ccccc2C)no1 225796012 TWOCCEWMBXINNY-JOCHJYFZSA-N 419.525 4.740 0 40 HJAB COc1ccc([C@H]2CCCN2c2ncc(C(=O)O)c(CCCc3ccccc3)n2)cc1 257339239 ZAWNCXLZVFJACZ-HSZRJFAPSA-N 417.509 4.700 0 40 HJAB O=C(C(=O)N1CCCCC1)c1cn(CCOc2ccccc2Cl)c2ccccc12 408569540 JLENRMYLGIEOHD-UHFFFAOYSA-N 410.901 4.569 0 40 HJAB Cc1cc(C)cc(CSCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 408575600 OCCICSHDXGBFSD-UHFFFAOYSA-N 422.516 4.904 0 40 HJAB COc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(C)c(C)c2)n1 408700166 ZFCSBZAKBIKDNT-UHFFFAOYSA-N 416.456 4.951 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cccc(C)c3C)cc2)cc1 409354089 XWOUAAGFRCSOEE-UHFFFAOYSA-N 422.550 4.984 0 40 HJAB CCc1cccc(CC)c1S(=O)(=O)N1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 605580866 KONVOUKLBAKXIR-OKILXGFUSA-N 417.415 4.563 0 40 HJAB COc1cccc(NC(=O)c2c(NC(=O)c3ccccc3OC)sc(C)c2C)c1 800772 GSVHGBWQKNOUPO-UHFFFAOYSA-N 410.495 4.887 0 40 HJAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Oc1c(C)cccc1C 907683 BTRAXAQPAKQPBV-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB CC(=O)Nc1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1 1060115 UYCZHBLVHUBVTK-UHFFFAOYSA-N 421.341 4.992 0 40 HJAB COc1ccc(NC(=O)c2sc3nc4c(C)ccc(C)c4cc3c2N)c(OC)c1 1342976 PCZWEYACBRUYDX-UHFFFAOYSA-N 407.495 4.918 0 40 HJAB CC[C@@]1(C(=O)c2ccc(C)cc2)[C@@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)OC 1438465 KQWIHRUGKSRLSB-MZBJOSPHSA-N 414.457 4.603 0 40 HJAB COc1ccc(/C=C/C(=O)C2=C(NCc3ccccc3)CC(C)(C)CC2=O)cc1OC 1440069 MWAGYYKLSQGPMK-ZRDIBKRKSA-N 419.521 4.719 0 40 HJAB O[C@H](COCc1ccc(Cl)cc1)CN1CCC(c2nc3ccccc3s2)CC1 2631322 OGQXXGKGMZOPBQ-IBGZPJMESA-N 416.974 4.707 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1C 2636372 CKBBJBJNBUCUJY-KRWDZBQOSA-N 420.465 4.810 0 40 HJAB FC(F)Oc1ccccc1[C@@H]1C[C@@H](c2cccc(Br)c2)Nc2ncnn21 2918216 ORFFTVRLIRPJRA-GJZGRUSLSA-N 421.245 4.788 0 40 HJAB CSc1ccc(Cl)c(C(=O)OCC(=O)c2ccc(Br)s2)c1 3314842 ICMHYHJCDZWHGC-UHFFFAOYSA-N 405.722 4.926 0 40 HJAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(Cl)cc12 4986113 XJDWDPHHRQPYNA-QWQRMKEZSA-N 405.922 4.719 0 40 HJAB CSc1nnc(C2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)n1C 5001356 MUGKUMCQZSOVMJ-UHFFFAOYSA-N 407.543 4.675 0 40 HJAB CC(C)C(=O)N1CCCc2ccc(NC(=O)c3ccccc3Br)cc21 5136388 FNPCWTNAWNYGBH-UHFFFAOYSA-N 401.304 4.637 0 40 HJAB Cc1ccc(SCC(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 5190696 LBTCKWXYAGZJDU-UHFFFAOYSA-N 408.504 4.956 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 5500276 BSUGZOOIGTXYBV-UHFFFAOYSA-N 404.495 4.626 0 40 HJAB CCOc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(OC)cc2)c(O)c1 5576894 BKEVRTQPWISOMS-UHFFFAOYSA-N 405.376 4.525 0 40 HJAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1F 6605371 ZIGCTYBVDKYGIG-UHFFFAOYSA-N 406.486 4.988 0 40 HJAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCc1cccc(C(F)(F)F)c1 6849579 YTRXIFAPHPFXBA-UHFFFAOYSA-N 413.395 4.632 0 40 HJAB Cc1c(Cl)cnc(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)c1Cl 6929240 WABXMNYICXTPDN-UHFFFAOYSA-N 407.175 4.511 0 40 HJAB C[C@@H](Nc1cccc(-c2nc3ccccc3s2)c1)C(=O)Nc1ccc(C(N)=O)cc1 7279475 PUKDHXSRZIKYOT-CQSZACIVSA-N 416.506 4.501 0 40 HJAB CC(C)(C)C(=O)NCc1ccc(C(=O)COc2cccc(Cl)c2Cl)s1 7419878 JQBDRRPXZNQEFI-UHFFFAOYSA-N 400.327 4.979 0 40 HJAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccc(F)cc1 8022956 HKUNZLARNTZTGU-PZVJUEDKSA-N 423.484 4.619 0 40 HJAB CCn1c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)nnc1-c1ccco1 8133092 JRBUEQPVIIXUPH-CQSZACIVSA-N 414.556 4.568 0 40 HJAB O=C(NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1 8378781 KWLVFDQNZSALHK-UHFFFAOYSA-N 404.116 4.883 0 40 HJAB O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc21 8961252 IQWNTZHFJUTXAG-UHFFFAOYSA-N 414.870 4.640 0 40 HJAB Cc1ccc(N2C[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1C 9320944 GHTLRWWMTCQARI-HNNXBMFYSA-N 401.388 4.893 0 40 HJAB O=C(COc1ccccc1C1SCCS1)N1CCc2[nH]c3ccccc3c2C1 9902118 NHDOUWZOWJTPDH-UHFFFAOYSA-N 410.564 4.610 0 40 HJAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(C(C)C)cc4)c3)nn12 10010200 CGPLLEBDNZMBCO-UHFFFAOYSA-N 421.526 4.800 0 40 HJAB COc1ccccc1[C@@H]1C[C@@H](c2ccc(C)cc2)N(C(=O)c2ccccc2)c2ncnn21 10060417 VTYRYLZGKFKOIT-GOTSBHOMSA-N 424.504 4.976 0 40 HJAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc2c(c1)OCCO2 10971757 MOANEXKLIPLOJW-UHFFFAOYSA-N 420.412 4.776 0 40 HJAB CCc1ccc(OCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 11667268 NGBBWYMOJPAVKZ-QGZVFWFLSA-N 403.482 4.762 0 40 HJAB COc1cc(NC(=O)[C@H](C)Sc2nccn2-c2ccc(C)cc2C)cc(OC)c1 12578581 JPELJWWBSQZZOX-INIZCTEOSA-N 411.527 4.626 0 40 HJAB CCN(CC)[C@@H](CNC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1C)c1ccccc1 12884571 URMFIRXEDWDWSQ-DEOSSOPVSA-N 418.585 4.670 0 40 HJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 12912029 WABZPQCDFDGJJS-OAHLLOKOSA-N 410.543 4.520 0 40 HJAB COC(=O)c1occc1/C=C/c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 13002569 FVLDVUBDZZWFGS-IZZDOVSWSA-N 406.825 4.589 0 40 HJAB Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccccc2)C4)cc1 13634236 ZUADBNBOHYHUMJ-GOSISDBHSA-N 400.507 4.638 0 40 HJAB CCOc1ccc([C@H]2CCCN2Cn2nc(Cc3cccs3)n(C)c2=S)cc1 14185913 VVAWVNGQZMYMQY-LJQANCHMSA-N 414.600 4.797 0 40 HJAB Brc1cc2c(cc1Br)Oc1cc3c(cc1O2)OCCO3 14628848 IHIJYSGTZHAVKH-UHFFFAOYSA-N 400.022 4.881 0 40 HJAB CCC(CC)C(=O)Nc1ccccc1SCc1cc(=O)n2c(C)csc2n1 15731994 AGBRMZVJABBXSW-UHFFFAOYSA-N 401.557 4.731 0 40 HJAB CCCCCOc1ccc(-c2nc3s/c(=C\C=C/c4ccccc4)c(=O)n3n2)cc1 16736247 ZQBPNUDPMTUDGF-OVQVZOGNSA-N 417.534 4.600 0 40 HJAB O=C(COc1ccc2ccccc2c1)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 17093005 RMAUWNUYUWSJEV-UHFFFAOYSA-N 422.440 4.658 0 40 HJAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1 19236875 ZRDXYACAOGFASE-RUZDIDTESA-N 417.528 4.912 0 40 HJAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccc(Cl)c2)C1 19591712 RIIWVZRGFIJAGM-RUZDIDTESA-N 419.956 4.583 0 40 HJAB CCn1cc(-c2cc(C(=O)Nc3ccc4c(c3)ncn4C3CCCCC3)no2)cn1 19665084 MBZJCKDRPZGTMK-UHFFFAOYSA-N 404.474 4.665 0 40 HJAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(OC[C@@H]2CCCO2)cc1 21335403 FJZOWBCRPMQXOM-FQEVSTJZSA-N 405.498 4.573 0 40 HJAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N(C3CCCCC3)c3nc4ccccc4n32)cc1 23382317 LUQJPLZYTKISTN-OAQYLSRUSA-N 402.498 4.594 0 40 HJAB CNC(=O)c1ccc(CN(Cc2nc(-c3ccccc3)c3ccccc3n2)C2CC2)cc1 24828596 PNZSRXBRAMOENE-UHFFFAOYSA-N 422.532 4.821 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(c2ccccc2Cl)CC1 25393024 JOUBYPLEXBCUGZ-HSZRJFAPSA-N 423.919 4.981 0 40 HJAB COc1cccc(NC(=O)Nc2nn(Cc3ccc(C)cc3)cc2Br)c1 27917184 OMEDVQDJZJWYKC-UHFFFAOYSA-N 415.291 4.655 0 40 HJAB CCN(C(=O)CSc1nnc([C@@H](C)Oc2ccc(F)cc2)o1)c1ccccc1C 32858283 MZZCFWAFYSIGCP-OAHLLOKOSA-N 415.490 4.802 0 40 HJAB O=C(c1c[nH]c2ccccc12)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 32889976 HRVMUBBGFTZYFV-UHFFFAOYSA-N 422.838 4.588 0 40 HJAB O=C(NCCc1cccc2cccnc12)c1cc(-c2ccccn2)nc2ccccc12 32898887 SHVIYRCIGPVRLN-UHFFFAOYSA-N 404.473 4.818 0 40 HJAB CCCc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccccc23)cc1 33249398 RHGGBKHJBCUNDB-UHFFFAOYSA-N 422.550 4.646 0 40 HJAB Fc1ccc(-c2cc3c(N4CCN(c5ccc(Cl)cc5)CC4)nccn3n2)cc1 33266298 BHZLLCSRWFXFKA-UHFFFAOYSA-N 407.880 4.515 0 40 HJAB Cc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccccc4F)n3)c2)cc1 33327350 PSBXSMJLUOEGBH-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB CN(C)[C@@H](CNC(=O)c1ccccc1SC[C@H]1CCCO1)c1ccccc1Cl 40047567 NWEFIXPIUWHVQA-UZLBHIALSA-N 418.990 4.644 0 40 HJAB COc1ccc(NC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)cc1OC 40088800 VRHSGMGEFPSHOJ-UHFFFAOYSA-N 414.465 4.567 0 40 HJAB CCC(=O)Nc1cccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c1 40119831 SXIKGMSWIGFULD-UHFFFAOYSA-N 410.905 4.672 0 40 HJAB COc1cc(CN(C)C(=O)Nc2ccccc2SCC(F)(F)F)ccc1O 43960743 DLWQINFTSYVCPE-UHFFFAOYSA-N 400.422 4.719 0 40 HJAB Cc1ccc(CN2CCC(C(=O)N[C@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)cc1 44855376 KFLKSMXWDQCILN-QHCPKHFHSA-N 406.570 4.934 0 40 HJAB CC[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(OC)cc1 44884853 VAHCIMAJRPYSTP-GOSISDBHSA-N 408.361 4.958 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(-n3ccnc3SC)c2)c1 48272946 PQCCKGMCAMRUGY-FQEVSTJZSA-N 423.538 4.589 0 40 HJAB Cc1ccc(-c2noc(C3CCN(CC(=O)Nc4cc(Cl)ccc4C)CC3)n2)cc1 49403307 QMCIJCKQKACPFE-UHFFFAOYSA-N 424.932 4.825 0 40 HJAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2ccccc2OC(C)C)c1 61719056 BCGJPLDCNWUKSS-QGZVFWFLSA-N 407.470 4.800 0 40 HJAB COc1cccc(-c2nc(C)c(C(=O)Nc3nnc(C4CCCC4)s3)s2)c1 72406302 YRTBMWYEWLLQLB-UHFFFAOYSA-N 400.529 4.889 0 40 HJAB CCCn1c(SCc2nc(-c3ccc(SC)cc3)no2)nc2ccccc2c1=O 73679848 HVGFULRHRADXLL-UHFFFAOYSA-N 424.551 4.871 0 40 HJAB CCCN(C(=O)CCc1nc(-c2ccco2)no1)[C@@H]1C[C@H](OCC)C12CCCCC2 78874779 QRCKEXNIJDELPO-MOPGFXCFSA-N 415.534 4.629 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 102726099 YYRMEMFAUXXGHP-ACRUOGEOSA-N 422.843 4.530 0 40 HJAB Cc1cccc(N([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 220118564 HETVWBFWAYWMJM-SFHVURJKSA-N 424.522 4.581 0 40 HJAB COC(=O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)c1 222857194 QAPLYCLYJYNOKE-LEWJYISDSA-N 421.522 4.509 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 223616173 ARICSBBKDJODDJ-QHCPKHFHSA-N 424.585 4.577 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 223804888 ADUPTUCVWJRWON-SFHVURJKSA-N 412.961 4.667 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)cc1 223929976 FDMAMNOJVGJHNB-UHFFFAOYSA-N 402.560 4.740 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 224655025 YBJVJNLDBBXZDG-DEOSSOPVSA-N 408.586 4.734 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 225159212 WEZJNEGQBDJADP-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB CC[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1 225378938 PWVLVVXPXWSYRD-GOSISDBHSA-N 414.354 4.597 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCSc1ccc(Cl)cc1 225439126 ZVPQTVBKMQZHPB-OAHLLOKOSA-N 422.953 4.515 0 40 HJAB CCOc1ccc(C2=NN3[C@H](c4ccccn4)Oc4c(OC)cccc4[C@H]3C2)cc1 248181868 DWDXWLLKTYUBGC-QPPBQGQZSA-N 401.466 4.731 0 40 HJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCCN2C 257232710 GMAYUVIQNVJRJU-AVRDEDQJSA-N 401.551 4.737 0 40 HJAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)ccc1Br 408638792 DNPWHBKHPKDUQQ-INIZCTEOSA-N 423.310 4.902 0 40 HJAB C[C@@H](NC(=O)N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccc(-c2ccccc2)cc1 592340812 YOZCCUWYNKJHTC-XMSQKQJNSA-N 407.558 4.751 0 40 HJAB Cc1sc2nc(SCc3ccno3)n(-c3ccc(Cl)cc3)c(=O)c2c1C 619599268 OONAHXJZZGOLKX-UHFFFAOYSA-N 403.916 4.998 0 40 HJAB CCCn1cnc2c(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c(C)c(C)cc21 1388580 FIANVDYHNDAMOZ-UHFFFAOYSA-N 411.449 4.883 0 40 HJAB CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(OC)cc1OC 4194587 WPMGTFQLGKPGSJ-GOSISDBHSA-N 417.303 4.554 0 40 HJAB CCOC(=O)c1ccc(NC(=O)/C=C/C(Br)=C/c2ccccc2)cc1 4263150 IDXWUJBIELFPMO-JPVUGRAOSA-N 400.272 4.794 0 40 HJAB COc1ccc(CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1F 4494142 FUYRODNOHHQPPG-KRWDZBQOSA-N 417.481 4.703 0 40 HJAB CCn1c(S[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1cccs1 4516557 GJVRTXVGQLONOW-WMLDXEAASA-N 412.584 4.701 0 40 HJAB Cn1cc([C@H]2c3ccccc3C(=O)N2CC(=O)Nc2ccc(F)cc2)c2ccccc21 4734647 BEWCLQFVYXTSRC-XMMPIXPASA-N 413.452 4.501 0 40 HJAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 6238426 BAOWHBLTBUGCGD-UHFFFAOYSA-N 413.886 4.685 0 40 HJAB CCOC(=O)c1cc(NC(=O)Nc2nc(-c3ccc(C)cc3)cs2)c(C)nc1C 6559015 ZCKUEQZUVMKPKW-UHFFFAOYSA-N 410.499 4.951 0 40 HJAB COc1ccc(Nc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 6821446 AUCGFOJTIKELDN-UHFFFAOYSA-N 405.479 4.735 0 40 HJAB CCN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)C1=CCCC1 6880300 FPHJUCDVXXAWTC-UHFFFAOYSA-N 408.527 4.595 0 40 HJAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 7360482 RCKXGDACLUOVNA-UHFFFAOYSA-N 405.516 4.576 0 40 HJAB O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2cccc(Cl)c2)CC1 7367001 XIARGAHPWGWXAY-UHFFFAOYSA-N 406.913 4.881 0 40 HJAB Cc1ccc(N2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)c(C)c1 7615993 FOHUMGMDSPYCPL-UHFFFAOYSA-N 410.470 4.778 0 40 HJAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 7985147 RFRMXDRUIKVNHR-UHFFFAOYSA-N 411.505 4.667 0 40 HJAB O=C(CNc1ccccc1N1CCCC1=O)Nc1ccccc1Oc1ccccc1 8163001 SGUUWKMKDNHRIF-UHFFFAOYSA-N 401.466 4.656 0 40 HJAB COc1ccc(C)cc1NC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1 9058071 OORRDQJCJHHAKG-UHFFFAOYSA-N 424.884 4.927 0 40 HJAB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N3CCc4ccccc4C3)s2)c(C)c1 12737667 HPQBHVCKAUVKAH-INIZCTEOSA-N 424.595 4.964 0 40 HJAB CCOc1ccc(OCCCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 12879604 LAUMJCDYCLHWOF-UHFFFAOYSA-N 407.514 4.994 0 40 HJAB O=C(CSc1ccc(F)c(F)c1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 12918801 VBGMRGXQWSAFKY-UHFFFAOYSA-N 414.481 4.681 0 40 HJAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(Cc1ccc(C(=O)Nc3ccccc3)cc1)C2=O 12975775 XAVWJXQTTYTAGF-NSYGIPOTSA-N 419.525 4.576 0 40 HJAB Cc1ccc([C@H](NS(=O)(=O)c2ccccc2Br)c2cccs2)cc1 12979371 OHSIKYCYDIYMRV-SFHVURJKSA-N 422.369 4.887 0 40 HJAB COc1ccc(NC(=O)Cc2csc(SCc3ccc(C)cc3)n2)c(OC)c1 13010387 IBIQTFCQHYLOFY-UHFFFAOYSA-N 414.552 4.942 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2F)n1Cc1ccccc1 13512234 NPWHXEMGRNBUAW-UHFFFAOYSA-N 422.485 4.765 0 40 HJAB CC[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713790 UJRZVKJOTOLZMZ-QHCPKHFHSA-N 422.550 4.845 0 40 HJAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3ccccc3O)c2)c1C 14405515 UABZVGURORDQDQ-UHFFFAOYSA-N 406.486 4.510 0 40 HJAB CCOc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)cc(OCC)c1OCC 14688994 YQOTVRNBFCWUDY-UHFFFAOYSA-N 413.499 4.654 0 40 HJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1Cl 15608575 FRFIMLAXEYAEGG-NSHDSACASA-N 409.711 4.883 0 40 HJAB Cc1cccc2cc3c(nc12)N(S(=O)(=O)c1ccc(OC2CCCC2)cc1)CC3 15842093 TUQPETZUPQHOCC-UHFFFAOYSA-N 408.523 4.616 0 40 HJAB COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C2(CCC3)SCCS2)c1 16740199 OGJQNVFVRISZJV-UHFFFAOYSA-N 405.541 4.827 0 40 HJAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccc(Cl)c2)c2cccs2)cc1 17043385 BEAJXUMUXWSSJA-IBGZPJMESA-N 419.955 4.655 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2cc(SC)ccc2Cl)N2CCCC2)cc1 17911560 QTPBQKJWKUNHNO-HXUWFJFHSA-N 404.963 4.637 0 40 HJAB Cc1nc2ccccc2n1C[C@@H](C)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 19286761 KVECPLFORZMVSL-IEBWSBKVSA-N 407.514 4.567 0 40 HJAB CCc1ccccc1Nc1nc([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)c2sccn12 19523084 SWQIFVILCIOVDA-HKUYNNGSSA-N 424.570 4.587 0 40 HJAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@@H]2CC=CCC2)C1 19528848 DYWVPERVCJSHOM-KBMIEXCESA-N 422.594 4.669 0 40 HJAB Cc1c(CN2CCC([C@@H](NC(=O)C3CCC3)c3ccccn3)CC2)[nH]c2ccccc12 19565881 OWXVYPQOJCRPQK-RUZDIDTESA-N 416.569 4.741 0 40 HJAB COc1ccc(-c2nc3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3o2)cc1OC 20411994 XHLKUEXMEXBKND-UHFFFAOYSA-N 424.478 4.621 0 40 HJAB CC(C)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2Cl)c2ccccc21 20745148 KRCTZOXJFCNMOR-HSZRJFAPSA-N 420.900 4.806 0 40 HJAB COc1ccc(OC)c2c1cc(C(=O)N1CCc3[nH]c4ccc(Cl)cc4c3C1)n2C 20745354 GEXIMVONZSKGSE-UHFFFAOYSA-N 423.900 4.529 0 40 HJAB biogenic C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccc(Cl)cc1 21913345 ABTRSNGWZCEERT-BEFAXECRSA-N 412.942 4.620 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(C)n(Cc3ccco3)c2C)c1 22008382 NVNQGALJPSNCMD-QFIPXVFZSA-N 408.498 4.741 0 40 HJAB CC(C)Cc1noc(CSc2nc3ccccc3c(=O)n2[C@@H](C)c2ccccc2)n1 23043505 WEMPLEXXOPQEJP-INIZCTEOSA-N 420.538 4.880 0 40 HJAB Cc1cc(C)c2nc(NC(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1 23124661 HXXQSJXZPYAGEL-UHFFFAOYSA-N 411.571 4.574 0 40 HJAB COc1ccc([C@@H]2CCCN2Cn2nc(NC(C)(C)C)sc2=S)c(OC)c1 24758169 UETOTXFCCQINPT-HNNXBMFYSA-N 408.593 4.696 0 40 HJAB Cc1ccc(CNC[C@@H](NS(=O)(=O)c2ccc(Cl)s2)c2ccccc2)cc1 25777621 HCZRMDDKSXZBEX-GOSISDBHSA-N 420.987 4.519 0 40 HJAB C[C@@H](OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)N1CCCc2ccccc21 26412796 DINZTIOUHRKVJP-MRXNPFEDSA-N 424.497 4.558 0 40 HJAB COc1ccc(-c2nc(N)nc(C(F)(F)F)c2Oc2ccc(Cl)cc2)c(O)c1 26571796 GJVWABOUWSFROU-UHFFFAOYSA-N 411.767 4.905 0 40 HJAB O=C(CSc1nncn1-c1cccc(Cl)c1)Nc1ccc2c3c(cccc13)CC2 26640449 GZSVWOAGBUNSLV-UHFFFAOYSA-N 420.925 4.903 0 40 HJAB CCOc1cc(C(=O)N(C)[C@H]2CCc3ccccc32)ccc1OCc1ccncc1 29822363 NHUSDAWGDMSDQB-QFIPXVFZSA-N 402.494 4.819 0 40 HJAB CC(C)c1cc(C(=O)N2CCC(c3nnc4ccccn34)CC2)c(O)c(C(C)C)c1 32744716 GJVCIUNROZVHIR-UHFFFAOYSA-N 406.530 4.702 0 40 HJAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc(Nc2ccccc2)cc1 32843958 ORYYFPKUXYFCBX-UHFFFAOYSA-N 401.466 4.575 0 40 HJAB CCOc1ccc(-c2csc(-c3cc(NC(=O)c4cccs4)n(C)n3)n2)cc1 35683046 LQZRNZGCRVLUAB-UHFFFAOYSA-N 410.524 4.923 0 40 HJAB C=C1c2ccccc2C(=O)N1CCC(=O)N1CCc2sccc2[C@H]1c1cccs1 40033940 RPCUSVWBSCGLRB-QFIPXVFZSA-N 420.559 4.801 0 40 HJAB Cc1ccc(C)n1-c1nc(CC(=O)Nc2cc3c(cc2Cl)OCCCO3)cs1 40132063 GLXBZOSZQAFHBJ-UHFFFAOYSA-N 417.918 4.547 0 40 HJAB C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 57994972 MYRNJIQMNYQWDR-DGCLKSJQSA-N 415.342 4.563 0 40 HJAB O=C(Nc1cc(-n2cccc2)ccc1F)C1CCN(C(=O)/C=C/c2ccccc2)CC1 58179964 PKYOUNHCVKZJHR-DHZHZOJOSA-N 417.484 4.507 0 40 HJAB CCN1c2ccc(C(=O)Nc3cccc(SC)c3)cc2-c2ccccc2S1(=O)=O 65315068 VQYVEEZPALLCCC-UHFFFAOYSA-N 424.547 4.856 0 40 HJAB CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2C[C@H](C)OC(C)(C)C2)cc1 65612240 ZTNAVOHAHHBOGF-HNNXBMFYSA-N 400.544 4.763 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cc(C)ccc3F)oc12 67293651 BICODAMMCJVAPW-RWEWTDSWSA-N 403.413 4.769 0 40 HJAB CC[C@H]1CN(Cc2ccccc2)CCN1C(=O)CCc1ncc(-c2ccc(C)cc2)o1 72303033 WOYMHWGSVYUFFU-QHCPKHFHSA-N 417.553 4.706 0 40 HJAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)ccc1OC(F)F 72403054 MCKFCZNXEFVARF-ZDUSSCGKSA-N 405.426 4.727 0 40 HJAB O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(Br)c(F)c1 95067964 VJNRZQUFKANHLJ-UHFFFAOYSA-N 416.165 4.547 0 40 HJAB CCCc1noc(CCCC(=O)Nc2ccc(N3CCC[C@@H]3C(C)C)c(F)c2)n1 95465074 PEEMNEVDGXRMHM-GOSISDBHSA-N 402.514 4.747 0 40 HJAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(N(C)C)cc2)S1 222623503 YNDQMVXMFNNXHA-USCONSEESA-N 403.555 4.528 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)NCC(C)C)cc1 224621357 YLLWQDYYZQNNJK-XMMPIXPASA-N 424.585 4.516 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cccc(CN2CCCC2)c1 224636519 GMXRNHMQYDJQRT-QFIPXVFZSA-N 400.950 4.718 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 224761310 GXUKGHMPFZEBQJ-HSZRJFAPSA-N 412.549 4.646 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 225169667 CFPQWJRWRONTON-HOTGVXAUSA-N 421.368 4.868 0 40 HJAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)sc2c1CCCC2 225452591 YXVSNULMMLXABA-CQSZACIVSA-N 413.539 4.698 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 225458690 YABRFINKQXVINZ-SIKLNZKXSA-N 412.599 4.809 0 40 HJAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)CCOCC2)c1 225566595 XXHXPLFCINEZCY-UHFFFAOYSA-N 422.569 4.547 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 225658228 YRSOCFWDVKOBOH-QGZVFWFLSA-N 418.990 4.622 0 40 HJAB CCOc1ccc(C2(NC(=S)Nc3cc(C(=O)OC)ccc3C)CCCC2)cc1 225856192 BUPJNVXGXZMPRC-UHFFFAOYSA-N 412.555 4.936 0 40 HJAB CCn1c(CN2CC[C@@H](c3cc(Nc4nccs4)cc(C)n3)C2)nc2ccccc21 257287098 POMXOROOVIRAGU-QGZVFWFLSA-N 418.570 4.949 0 40 HJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260816840 QZYRBDFGIZBLAJ-RDPSFJRHSA-N 404.595 4.967 0 40 HJAB CCCOc1c(Br)cc(CNc2cccc(C(=O)O)c2)cc1OCC 408608453 LQJBBTUNQSIHIH-UHFFFAOYSA-N 408.292 4.947 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)c1 408680471 HVOBCGWOMSYFRV-YADHBBJMSA-N 416.521 4.909 0 40 HJAB COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1cccc(F)c1 409086067 UPBUMJHPYVOWAX-MOSHPQCFSA-N 424.472 4.639 0 40 HJAB O=C(NC1CCC(F)(F)CC1)c1ccccc1SCc1cn2ccccc2n1 535667033 VJVWJQDLGMUHFV-UHFFFAOYSA-N 401.482 4.934 0 40 HJAB Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@@]2(CCN2c2ccc3nccnc3c2)C1 585102250 VLJWZTCFWRHBSJ-RUZDIDTESA-N 418.541 4.714 0 40 HJAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2ccccc2Cl)C1 585165361 FTENZSJDWILLJD-HXUWFJFHSA-N 422.960 4.715 0 40 HJAB COc1cnc(-c2nc(-c3ccc(Oc4cccc(N(C)C)c4)cc3)no2)c(F)c1 1615610985 SJRZVMIWOUZOQS-UHFFFAOYSA-N 406.417 4.805 0 40 HJAB O=C(Nc1c(F)cccc1F)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 640248 YOFWUKABGVBDAL-NRFANRHFSA-N 414.433 4.584 0 40 HJAB Cc1nc(SCC(=O)Nc2ccccc2F)c2c3c(sc2n1)C[C@@H](C)CC3 1326215 DZVNFSOQRDLNHP-NSHDSACASA-N 401.532 4.994 0 40 HJAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(CC(C)C)C(=O)C(F)(F)F)s1 1366012 YBFKXFHCFQXTGS-MRXNPFEDSA-N 404.498 4.593 0 40 HJAB O=C1S/C(=C/c2ccccc2F)C(=O)N1CNc1ccc(Br)cc1 1505652 DMPPHAMGGGTSFK-OQLLNIDSSA-N 407.264 4.694 0 40 HJAB CSc1nc(NCCCN(C)C)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 2440271 MIXQYGDXDSFDQC-UHFFFAOYSA-N 415.632 4.937 0 40 HJAB O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1cc(Cl)ccc1Cl 2514753 DXCOYEVHKBNHBH-UHFFFAOYSA-N 406.309 4.563 0 40 HJAB CCc1ccc(Nc2nnc(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)s2)cc1 2628174 SBCCPAHRYBIXII-UHFFFAOYSA-N 414.556 4.967 0 40 HJAB COC(=O)c1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)o1 2653978 MYKFCYIEIRSIGW-UHFFFAOYSA-N 403.463 4.878 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3nc(C)cs3)c3ccccc3n2)cc1OC 3263234 NQGIWLLDYPZBEH-UHFFFAOYSA-N 405.479 4.936 0 40 HJAB CC(C)C[C@H](NC(=O)Oc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 3663248 CPKFMYVCQSZERM-SFHVURJKSA-N 409.511 4.952 0 40 HJAB CC(=O)Nc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 5347787 BILSAGPDAHCOJU-UHFFFAOYSA-N 412.445 4.775 0 40 HJAB biogenic COc1cc2c(cc1OC)[C@H](C)N(C(=O)CCCOc1ccc(Cl)cc1C)CC2 5422650 AJKKGAAGORUWIT-INIZCTEOSA-N 417.933 4.971 0 40 HJAB COc1ccc(/C=C2\SC(=N)NC2=O)cc1OCc1c(Cl)cccc1Cl 5661919 GSRKXLUCVKZUKA-PXNMLYILSA-N 409.294 4.720 0 40 HJAB Cc1ccc(NC(=O)CSCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(C)c1 6549969 DYROVZBFHLDQET-OQOKOFKUSA-N 414.615 4.696 0 40 HJAB C[C@@H](Sc1nnc(C2CC2)o1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 7242412 SJJYTCTUQWODSL-MRVPVSSYSA-N 402.526 4.827 0 40 HJAB Cc1nnc(S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)O)o1 7603527 YJIJMXMELVEMNG-YVLHZVERSA-N 402.859 4.828 0 40 HJAB Cc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Oc2ccccc2)c1C 8152958 HEHSOVSXRJPUDL-UHFFFAOYSA-N 417.509 4.605 0 40 HJAB C[C@H](Oc1cccc(C(=O)NCc2ccccc2)c1)C(=O)Nc1ccc2c(c1)CCC2 8156326 DNEKHKLZBMGTNX-SFHVURJKSA-N 414.505 4.511 0 40 HJAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1cc2ccccc2o1 8185032 XQADGRWEEJEWDS-UHFFFAOYSA-N 410.426 4.625 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)n2-n2cccc2)c1 9707883 PTCAJKJSJIETOQ-UHFFFAOYSA-N 423.929 4.751 0 40 HJAB C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCC(C(=O)N5CCCCCC5)CC4)cc3c2C1 9930478 DYRRNHLHWUKBEL-SFHVURJKSA-N 421.585 4.548 0 40 HJAB O=C(OCc1csc(-c2ccccc2)n1)C1CCN(C(=O)c2ccc(F)cc2)CC1 11246046 FUJKCKLZCVLBJN-UHFFFAOYSA-N 424.497 4.545 0 40 HJAB COc1ccc(-c2nc(CSc3ncn(-c4ccccc4)n3)cs2)cc1OC 12267689 AENSIBBHKGGDCT-UHFFFAOYSA-N 410.524 4.700 0 40 HJAB Cc1oc(C)c(C(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)c1C 12749820 NZBSWKWDBFSVMM-UHFFFAOYSA-N 416.521 4.924 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2ccccc2Br)c1 12761050 NWMOUFQMFCSHER-DLENHJPASA-N 416.315 4.843 0 40 HJAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NCc1ccnc(N2CCCC2)c1 12788869 PLNMVIUGWDLIDN-GQCTYLIASA-N 409.839 4.684 0 40 HJAB Clc1ccc(OCc2nc(CSc3nnnn3-c3ccccc3)cs2)cc1 12805713 NZWUJWZNTKWRFI-UHFFFAOYSA-N 415.931 4.644 0 40 HJAB CCCCC(=O)Nc1ccccc1S[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 13579076 WOAAXINLFUWVQM-OAHLLOKOSA-N 414.527 4.706 0 40 HJAB Cc1cc(C)cc(OC[C@@H](O)Cn2c(COc3ccccc3)nc3ccccc32)c1 15860754 GRNJYSVELFXGPH-FQEVSTJZSA-N 402.494 4.672 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)C4(c5ccccc5)CCCC4)cc3n2)cc1 15867240 SWCDSSRFNAJYTD-UHFFFAOYSA-N 412.493 4.880 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cc1OC 19082408 WASXPIOWNTWMBQ-AEFFLSMTSA-N 412.530 4.820 0 40 HJAB CNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)C(C)(C)C)CC1 19700387 ZRJDQBHEFHJAAZ-UHFFFAOYSA-N 406.570 4.605 0 40 HJAB Cc1nc([C@@H]2CCCN(C3CCCCC3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 19744491 IRXQMWMPJNVIKW-LJQANCHMSA-N 422.548 4.526 0 40 HJAB CC[C@@H](NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 20049774 IDINGCGUHHTDTR-HSZRJFAPSA-N 422.550 4.534 0 40 HJAB CCCOc1ccc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)cc1OCC 21708823 HFYCDBVZMIKVFM-HXUWFJFHSA-N 413.514 4.869 0 40 HJAB CCc1ccccc1NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 22273901 BMVCFFFNORMNBP-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 22460149 LLYIUPRXVAQFCM-PGRDOPGGSA-N 413.631 4.543 0 40 HJAB CCc1nc2sc([C@@H](c3cccc(C(F)(F)F)c3)N3CCC(C)CC3)c(O)n2n1 22853353 NFXIHPCKVFAECE-MRXNPFEDSA-N 424.492 4.899 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(CN2CCCCCC2)cs1 29635911 BBWLMALAKKPMPG-UHFFFAOYSA-N 407.967 4.969 0 40 HJAB CC(=O)N[C@H](CC(=O)N1CC[C@@H](C)Sc2ccccc21)c1ccc(Cl)cc1 36648391 NCSULYKSOLXQIR-RDTXWAMCSA-N 402.947 4.825 0 40 HJAB COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1OC 36705383 BHQMMKAMYSAVDD-UHFFFAOYSA-N 405.410 4.706 0 40 HJAB Cc1cc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c2nc3n(c2n1)CCCCC3 40050961 DKHOBKFLTNQRSF-UHFFFAOYSA-N 404.301 4.607 0 40 HJAB CN(C)C(=O)c1ccc(Cl)cc1NCC(=O)Nc1ccc(Oc2ccccc2)cc1 40135359 JMDXGDYRBGEVAJ-UHFFFAOYSA-N 423.900 4.885 0 40 HJAB CC(C)Sc1ncccc1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 40139194 WRPDJUZJKBOJPU-UHFFFAOYSA-N 412.342 4.600 0 40 HJAB CCOc1cccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 44919800 JSCGFWRPXGDQGD-UHFFFAOYSA-N 421.368 4.921 0 40 HJAB CC(C)CCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccccc3)ccc2s1 46058543 XSMUSAGUQZEOMM-UHFFFAOYSA-N 416.568 4.502 0 40 HJAB O=C(CSc1ccc(C(F)(F)F)cn1)N[C@@H]1CCSc2c(F)cccc21 57666880 TXEFXYHHGHXGQB-CYBMUJFWSA-N 402.438 4.685 0 40 HJAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccc(Cl)cc1 69175149 ABTRSNGWZCEERT-DNVCBOLYSA-N 412.942 4.620 0 40 HJAB Cc1cc(F)ccc1NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 71761249 LACOZEOXTOHAPW-UHFFFAOYSA-N 421.563 4.508 0 40 HJAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(Cc3ccc4[nH]ccc4c3)C2)n1 72346263 XKDBJHDMBWXGLR-IBGZPJMESA-N 401.489 4.726 0 40 HJAB O=C(c1ccncc1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359517 GNNQVBDYRMZBLN-QGZVFWFLSA-N 412.415 4.577 0 40 HJAB CC(=O)NC1(c2ccccc2)CCN(Cc2c(C3CCCC3)[nH]c3ncccc23)CC1 72393715 TUMBEHDSXMNUII-UHFFFAOYSA-N 416.569 4.848 0 40 HJAB O=C(NC[C@H]1CC[C@H]([C@H](NC(=O)C2CCC2)c2nccs2)CC1)C1CCCCC1 100223347 MRQZVDWKFJWJPT-QKLQHJQFSA-N 417.619 4.603 0 40 HJAB CCc1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 106738829 QMTHRAATMKFCEK-WSVATBPTSA-N 401.871 4.868 0 40 HJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 224665534 CMUFDQWROGMZFQ-NRFANRHFSA-N 422.569 4.712 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCCC1 224840937 JYDBOQDGBKXEJD-JOCHJYFZSA-N 400.950 4.800 0 40 HJAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 225036105 GQLFFAPWKSMQEU-XZOQPEGZSA-N 419.598 4.939 0 40 HJAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1C 225147668 WWPJJCLFMKFIFP-SFTDATJTSA-N 406.511 4.509 0 40 HJAB C[C@@H]1CCCN(c2ccc(N)cc2C(=O)Nc2c(F)cc(F)cc2Br)C1 226324725 WJMUKQSYDZZOPB-LLVKDONJSA-N 424.289 4.798 0 40 HJAB COc1ccc(C(=O)O)cc1[C@H]1C[C@@](C)(NC(C)=O)C[C@@H](c2cccc(Cl)c2)O1 257223722 DYPPJRYICXSNOU-VWPQPMDRSA-N 417.889 4.534 0 40 HJAB CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)Nc3cccc4ccccc34)nnc12 886767 CYLLYYISCWKXSS-QMHKHESXSA-N 404.539 4.931 0 40 HJAB CCSc1nnc(COc2ccc(Br)cc2)n1Cc1ccccc1 916382 NFFAFQVYYCZGAR-UHFFFAOYSA-N 404.333 4.780 0 40 HJAB C[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 938194 MOQKWMXKJITZKT-KBVBDRTLSA-N 408.679 4.686 0 40 HJAB O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)c1ccco1 1005508 KMIRERAYPUOVDY-AQTBWJFISA-N 407.472 4.905 0 40 HJAB FC(F)(F)c1cccc(CNc2ncnc3c2nnn3Cc2ccccc2Cl)c1 1349169 CZVUOCUBZKBHKK-UHFFFAOYSA-N 418.810 4.554 0 40 HJAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2cccs2)N1c1ccc(N(C)C)cc1 2297035 VTGZQTHEYVQPEY-QFIPXVFZSA-N 420.538 4.716 0 40 HJAB O=C(CSc1nccc(-c2ccc(F)cc2)n1)Nc1c(F)c(F)cc(F)c1F 2789785 YAGLFEIXBLJLTQ-UHFFFAOYSA-N 411.355 4.570 0 40 HJAB CC1CCN(C(=O)CSc2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1 4217341 QUNWARPVUGCPJF-UHFFFAOYSA-N 401.601 4.798 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-n2cccc2)c1 4586102 XQNFYBMUQSBLLP-UHFFFAOYSA-N 417.538 4.714 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 4704193 JCKZQCRJZVNUSL-GOSISDBHSA-N 414.296 4.821 0 40 HJAB Clc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1cccnc1)N1NC=NC1=N2 5516537 PWKDSKMQHOTDTE-YADHBBJMSA-N 413.868 4.539 0 40 HJAB CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2)c2c[nH]c3ccccc23)cc1 5638010 VYHMZAPCIMMMTG-HSZRJFAPSA-N 413.521 4.561 0 40 HJAB CCNC(=O)COc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1 6084191 ZIRSUQIPPHNSDI-UHFFFAOYSA-N 415.445 4.767 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C 6217506 IQABJPWXNFDQQE-LJQANCHMSA-N 402.494 4.812 0 40 HJAB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(CC)cc1 6323693 NGMAEXKXBZFGGZ-OEAKJJBVSA-N 412.331 4.946 0 40 HJAB CCOc1cc(C[C@@H]2SC(=O)N(CC)C2=O)ccc1OCc1ccc(Cl)cc1 6952435 YYCWPEJMQDVCIS-IBGZPJMESA-N 419.930 4.944 0 40 HJAB C[C@@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)Nc1ccc(Cl)cc1F 7197278 XQWGCAKBTLNBKW-CYBMUJFWSA-N 416.836 4.868 0 40 HJAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@H](C)c2cccnc2)c1 8164098 NCJAYEASJVDSTD-MRXNPFEDSA-N 416.456 4.573 0 40 HJAB O=C(Nc1nc2ccccc2s1)c1ccc(-n2nncc2-c2cccs2)cc1 8346062 QVLZIFHLUFVNQG-UHFFFAOYSA-N 403.492 4.858 0 40 HJAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(Cl)c4C)cc3)C(=O)[C@@H]2C1 8472930 UIRPMVWTIVFIPX-QZTJIDSGSA-N 408.885 4.746 0 40 HJAB CCc1sc(NC(=O)CCn2c(=O)sc3ccccc32)nc1-c1ccccc1 8743683 IGCFKLMNXJXCIB-UHFFFAOYSA-N 409.536 4.778 0 40 HJAB COc1cccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)c1 9250032 IFZUIVCBZMBIIU-UHFFFAOYSA-N 421.522 4.690 0 40 HJAB O=Cc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1 9397038 UOAJSAXLKCQTNU-UHFFFAOYSA-N 403.059 4.586 0 40 HJAB CNc1nc(Nc2cccc3ccccc23)nc(OC(C(F)(F)F)C(F)(F)F)n1 9434808 LLFAKUZJCIVHQL-UHFFFAOYSA-N 417.313 4.682 0 40 HJAB O=C(O)C[C@@H](Cc1nc2ccccc2[nH]1)c1ccccc1OC(=O)c1ccccc1 9517191 DVOUCMDWSIDAEJ-QGZVFWFLSA-N 400.434 4.583 0 40 HJAB C[C@H](OC(=O)c1cccn1C)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 9630774 PNYYIMQWNGSJHB-JTQLQIEISA-N 424.309 4.639 0 40 HJAB COc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4cccc(C)c4)nc3C2)cc1OC 9935871 WYVGUEAGJSYOKO-KRWDZBQOSA-N 403.482 4.767 0 40 HJAB CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2COc2ccccc2)cc1 10852267 YJDWVMOTQHXABZ-QGZVFWFLSA-N 417.461 4.652 0 40 HJAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)[C@H]3CC=CCC3)cc2n1 12230138 HTAFZCVTEOOLPE-WMLDXEAASA-N 406.452 4.720 0 40 HJAB O=C(Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)c1ccco1 12738913 SATMIMJNXJJACC-UHFFFAOYSA-N 411.266 4.640 0 40 HJAB O=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)Nc1ccccc1-c1ccccc1 12765029 MUALEDAMEIDUCB-DTQAZKPQSA-N 418.518 4.545 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)CCc3nc(-c4ccncc4)no3)n2)c(C)c1 12793706 OZSIEAPQRMCAAF-UHFFFAOYSA-N 419.510 4.752 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)CSc2ncnc3sccc23)cc1 14068637 WYSRJRLPDNMWAC-GOSISDBHSA-N 413.568 4.936 0 40 HJAB CCOc1ccc([C@@]2(O)CN(c3cccc(C(F)(F)F)c3)C3=[N+]2CCCCC3)cc1 15230861 IEOKOTNTQXTDGS-QFIPXVFZSA-N 419.467 4.754 0 40 HJAB CCCOc1ccc(NC(=O)c2nn(CCC)c(=O)c3ccccc23)cc1OCCC 15951647 KBXJSYMBXNHPTD-UHFFFAOYSA-N 423.513 4.636 0 40 HJAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 18831272 JFQOXRREYKGMLS-UHFFFAOYSA-N 423.943 4.631 0 40 HJAB CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccc(F)c3F)CC[C@H]21 19081639 OJLDEUSFYDOZHU-QWFCFKBJSA-N 418.553 4.889 0 40 HJAB CCCN1C(SCc2cccc(C(F)(F)F)c2)=NS(=O)(=O)c2ccccc21 21117381 YNJYJCGHTAPOIM-UHFFFAOYSA-N 414.474 4.914 0 40 HJAB Cc1ccc(NC(=O)[C@H](Sc2nc3ccccc3c(=O)n2C)c2ccccc2)cc1 21163962 KBPFBYOYRYELKO-OAQYLSRUSA-N 415.518 4.714 0 40 HJAB Cc1cccc(OCc2nc3ccccc3n2C[C@H](O)COc2ccc(C)cc2C)c1 21659908 ONJJECRPULUASZ-NRFANRHFSA-N 416.521 4.980 0 40 HJAB O=C([C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1ccccc1)N1CCCCC1 22090796 SBEAIZJCKCXWPI-FQEVSTJZSA-N 422.554 4.643 0 40 HJAB COc1cc(CNC[C@@H](Cc2ccccc2)N(C)C)ccc1OCc1cccs1 23247704 HWFLBKLRFUUAHJ-OAQYLSRUSA-N 410.583 4.598 0 40 HJAB O=C(Nc1nc2c(s1)CCCC2)c1cnn(-c2ccccc2F)c1C(F)(F)F 24763594 YRKCMHIJTFLREV-UHFFFAOYSA-N 410.396 4.618 0 40 HJAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cccnc1Sc1ccccc1 25321813 YKRDFXRSLYKPDJ-UHFFFAOYSA-N 403.551 4.759 0 40 HJAB COc1ccc(-c2nsc(NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1 27662965 HAIWTIQRRJBGSG-UHFFFAOYSA-N 401.491 4.984 0 40 HJAB O=C1CN(C(=O)CCc2ccccc2)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2N1 28048023 SZQFCNVJGQEURY-DEOSSOPVSA-N 422.887 4.982 0 40 HJAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCC(c2noc3cc(F)ccc23)CC1 32074054 JIURMMCDPWNXCU-JOCHJYFZSA-N 407.445 4.762 0 40 HJAB CC1CCN(Cc2ccc(CNC(=O)CCCc3nc4ccccc4o3)cc2)CC1 32160413 JBINMYVLSLRMGM-UHFFFAOYSA-N 405.542 4.699 0 40 HJAB Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccccc2Cn2ccnc2)cc1C 32905572 VGNSRBAXYCBZLK-UHFFFAOYSA-N 423.516 4.709 0 40 HJAB Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)C(C)C 32983505 KLHSSIWQQSXYND-DNVCBOLYSA-N 406.448 4.646 0 40 HJAB Cc1ccc(NC(=O)COc2ccccc2-c2noc(-c3cccc(F)c3)n2)cc1 33324967 VZJPPCPUEOHOGL-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB Cc1ccc(NC(=O)c2sc3ncn(CCc4ccccc4)c(=O)c3c2C)cc1C 35672021 FTQBVFHAKDZGQP-UHFFFAOYSA-N 417.534 4.878 0 40 HJAB CC(C)(C)c1nc2cc(NC(=O)[C@H]3CCCN(C(=O)c4cccs4)C3)ccc2o1 40081664 LKYARUZCZJEREM-AWEZNQCLSA-N 411.527 4.678 0 40 HJAB CC(C)(C)c1ccc(NC(=O)COc2cccc(I)c2)cc1 40159229 HURMZSBHNXSLLU-UHFFFAOYSA-N 409.267 4.606 0 40 HJAB CCN(CC)Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)o1 46857278 DEUQOBNQTUUHGG-UHFFFAOYSA-N 413.449 4.667 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1Cl 57316822 JMSIZXDDTIZSLH-UHFFFAOYSA-N 413.949 4.595 0 40 HJAB CCN(C(=O)NCc1cccc(OC[C@H]2CCCO2)c1)[C@H](C)c1ccc(F)cc1 58168884 OFKCGBQORNBDEV-VGOFRKELSA-N 400.494 4.676 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2ccc(Sc3nccn3C)cc2C)c(OC)c1 58191107 ZIHIQCBZRMAQTB-UXBLZVDNSA-N 409.511 4.549 0 40 HJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1OCC 59342309 YHAQOIUCSGKHKP-UHFFFAOYSA-N 410.514 4.799 0 40 HJAB CC(C)(C)OC(=O)N1CCN(c2ccc(-c3noc(C4CCCCC4)n3)cc2)CC1 63111075 LNIRDQQNTQXGJJ-UHFFFAOYSA-N 412.534 4.841 0 40 HJAB COc1ccc(C)cc1NC(=O)CSc1nccn2nc(-c3cccs3)cc12 67290205 FKXRRLWYHVRNJR-UHFFFAOYSA-N 410.524 4.506 0 40 HJAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@H]3CN2C1 70707812 NEMWYOKGHGSVSC-VEQVJXMCSA-N 415.662 4.563 0 40 HJAB O=C(Cc1ccncc1)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 72349453 VIVPJTDBSULHAJ-UHFFFAOYSA-N 405.929 4.670 0 40 HJAB O=C(c1nccc2ccccc12)N1CCC[C@H]1c1cccc(Nc2ccc(F)cn2)n1 72375308 HWQZEXAFJUOYAY-FQEVSTJZSA-N 413.456 4.885 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 90593228 MFHLLTRGHKLIFL-BFUOFWGJSA-N 414.914 4.617 0 40 HJAB COc1c(C)c2c(c(OC)c1C/C=C(\C)CCC(=O)Nc1ccccc1)C(=O)OC2 96114118 USLGTXDLGDPONV-XNTDXEJSSA-N 409.482 4.590 0 40 HJAB biogenic Cc1ccc(-n2nc3c4cc(C(=O)N[C@@H](C)c5ccccc5)ccc4[nH]cc-3c2=O)cc1 101281885 IUHOFVWUTXUWMY-KRWDZBQOSA-N 422.488 4.618 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3)ccc2C)cc1C 107587604 XQZAZDSNKSAEOF-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 219617463 FDBYYIYZUKVERM-HNNXBMFYSA-N 405.907 4.658 0 40 HJAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 223878250 POPMLEJYUYSWHW-PKTZIBPZSA-N 412.518 4.755 0 40 HJAB CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224020612 YNPLTEHTMYDNIG-UHFFFAOYSA-N 415.342 4.713 0 40 HJAB CC(C)c1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 224094622 WVPQDJFMIFOHJB-UHFFFAOYSA-N 408.523 4.541 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCSc2ccccc2)c1 224231355 JSONXTVCULTUKA-PGMHBOJBSA-N 422.575 4.736 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 224912362 SEBCCBOBFHEWNU-INIZCTEOSA-N 421.368 4.788 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1 225127965 YFTJVNHXMYKJLB-DEOSSOPVSA-N 408.586 4.824 0 40 HJAB COc1ccc2cc(S(=O)(=O)NCCOc3ccc(C(C)(C)C)cc3)ccc2c1 225184063 WVIDYHFMLMQDAC-UHFFFAOYSA-N 413.539 4.503 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCCc2ccccc2OCC)cc1Cl 225397619 SATYAXKSGZDMEB-UHFFFAOYSA-N 420.962 4.835 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC2=CCCCC2)cc1 225491365 MHIODKDQBNCJFC-PGMHBOJBSA-N 410.539 4.534 0 40 HJAB CCOc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)c1 225501239 ABOOFTIXGBHKLW-QNGOZBTKSA-N 406.507 4.865 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 225575024 QCWFYLABGXFKFP-HNNXBMFYSA-N 422.953 4.513 0 40 HJAB Cc1ccccc1CSCCCNC(=S)Nc1cccc(N2CCCC2=O)c1 225602071 KRNRTNFKFLYUNM-UHFFFAOYSA-N 413.612 4.732 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)ccc1OCC(C)C 225832096 WBZCJMWUXBULKF-HXOBKFHXSA-N 405.535 4.822 0 40 HJAB CCCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)cc1C(=O)OC 225856498 ZTEVTTQGAGTRHD-UHFFFAOYSA-N 405.535 4.966 0 40 HJAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)C4CCCC4)C3)cc2N1 248200335 VESDVEQQFAZFNM-BHYGNILZSA-N 412.500 4.723 0 40 HJAB O=C(c1nccc2ccccc12)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257258540 KUKXNWIQQFEGAV-NRFANRHFSA-N 401.441 4.930 0 40 HJAB CCOc1c(Cl)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1OC 260786408 WWVRPNXBGKDWQG-NXOUGTEYSA-N 403.935 4.732 0 40 HJAB O=C(c1cccs1)N1CCC[C@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 306131238 JZCYDYUXGDDOAK-KRWDZBQOSA-N 406.486 4.617 0 40 HJAB COc1ccc(-c2nc(Nc3cccc4ccccc34)sc2CC(=O)O)c(OC)c1 408890713 YARTZSVMKUFUQL-UHFFFAOYSA-N 420.490 5.351 0 40 HJAB Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccccc3F)C2=O)c1 409228873 GKKYGEOFEQNNNN-HYARGMPZSA-N 416.452 4.806 0 40 HJAB O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cc(F)cc(C(F)(F)F)c1 530786145 AOIYGMXAXDGKRM-UHFFFAOYSA-N 413.758 4.520 0 40 HJAB CC[C@](C)(NCCc1c[nH]c2ccccc12)c1nnnn1-c1c(C)cc(C)cc1C 575443838 LZZWJWUUWIEVOV-DEOSSOPVSA-N 402.546 4.526 0 40 HJAB CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1NCCc1ccccc1 1341076 GPEQUZKKPJRDIB-UHFFFAOYSA-N 416.525 4.939 0 40 HJAB CN(C(=O)c1cc(Cl)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1)c1ccccc1 1400066 KQOHPUCTUDRXLI-UHFFFAOYSA-N 420.818 4.845 0 40 HJAB CCCCc1cc2c(=O)c(-c3csc(C)n3)coc2cc1O[C@H](C)C(=O)OCC 1748648 DYIGQCVPUYUKQV-CYBMUJFWSA-N 415.511 4.898 0 40 HJAB biogenic CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2095881 INFZQDRIPCCQGG-IBGZPJMESA-N 423.465 4.669 0 40 HJAB biogenic CC(C)CNC(=O)c1c(N)n(-c2ccc3ccccc3c2)c2nc3ccccc3nc12 2305613 DWLDHWZECGTJBH-UHFFFAOYSA-N 409.493 4.695 0 40 HJAB CCCCn1nc(NC(=O)c2ccc(OC)c(OC)c2)c2cc3ccccc3nc21 2416717 OTUSUIQEDKZYAC-UHFFFAOYSA-N 404.470 4.654 0 40 HJAB CCc1cccc(-n2c(N)c(C(=O)OC[C@H](C)CC)c3nc4ccccc4nc32)c1 2437464 GCUVLORRZQYFPW-OAHLLOKOSA-N 402.498 4.921 0 40 HJAB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(C)cc1 3270670 YFLMQLWLENAGCO-UHFFFAOYSA-N 401.919 4.814 0 40 HJAB Cc1nc(NC(=O)c2ccc3ccccc3n2)sc1Cc1ccc2c(c1)OCO2 3333712 NSPHVCIFWRUDIW-UHFFFAOYSA-N 403.463 4.572 0 40 HJAB C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N(C)c1ccccc1 3356149 HYLZXTXCNOHLIL-INIZCTEOSA-N 404.495 4.671 0 40 HJAB CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(CCc2ccc(F)cc2)c1C 3477441 XARXPGXULKSUJO-UHFFFAOYSA-N 408.473 4.707 0 40 HJAB C[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccccc1-c1ccccc1 4924067 XQCBPJXQUUNUKI-OAHLLOKOSA-N 404.495 4.861 0 40 HJAB CC[C@@H](C)OC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 5150804 SDKYYCZGBCJGOB-CYBMUJFWSA-N 408.889 4.824 0 40 HJAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c2c(C)c(C)sc2n1 5428955 FVRHRHLORAFHAW-LBPRGKRZSA-N 415.540 4.507 0 40 HJAB Cc1cc(C)c2nc(NC(=O)c3ccccc3I)sc2c1 5637471 VQQDHBPOJFTUIN-UHFFFAOYSA-N 408.264 4.770 0 40 HJAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CCCN1C(=O)c1cccs1 6087449 BQWKLUBQMQFNOM-QFIPXVFZSA-N 418.562 4.691 0 40 HJAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1 6564962 UQMOAVBQIIIKAX-FQEVSTJZSA-N 411.505 4.808 0 40 HJAB Cc1ccc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1C 6736997 UGEFDGWINQEFHP-UHFFFAOYSA-N 413.905 4.823 0 40 HJAB COc1cccc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1OC 7181105 NVNVECJCTMSONV-QHCPKHFHSA-N 415.445 4.966 0 40 HJAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccc(Oc2ccccc2)c1 7402372 VXKUKMSADDUSCI-UHFFFAOYSA-N 418.493 4.978 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 7875178 NCYFLFDWXDFXSY-UHFFFAOYSA-N 407.297 4.573 0 40 HJAB O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]1c1nc2ccccc2s1 8773117 SLXFWGSQZDLIMD-HNNXBMFYSA-N 423.357 4.585 0 40 HJAB O=C(COc1cccc(NC(=O)c2ccccc2)c1)c1ccc(Br)cc1 9445984 LKGGYMYKMVPINQ-UHFFFAOYSA-N 410.267 4.963 0 40 HJAB Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)c(C)c1 9517669 GXVTXHINMFROIX-UHFFFAOYSA-N 423.929 4.817 0 40 HJAB COc1ccc(C(=O)N2c3ncnn3[C@@H](c3ccc(C)cc3)C[C@H]2c2ccccc2)cc1 10060306 ZIFDXUHKYVVKFM-BJKOFHAPSA-N 424.504 4.976 0 40 HJAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(F)cc2)cc1 10220773 JCZYXCVLTGSKIR-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc2ccccc12)S(C)(=O)=O 10359799 FHBUWBCPQOZSAT-HNNXBMFYSA-N 416.930 4.595 0 40 HJAB C[C@@H](Sc1nc(Cc2cccs2)n[nH]1)C(=O)Nc1cccc(Cl)c1Cl 11600642 LDWZEMYLLSFCAF-SECBINFHSA-N 413.355 4.883 0 40 HJAB Cc1cc(C)cc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCC2)c1 12062345 UIAIADMTSFIAQS-UHFFFAOYSA-N 423.582 4.837 0 40 HJAB CCOc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)nc(C)n1 12225471 SBRQVBKBGAYLJZ-UHFFFAOYSA-N 400.841 4.972 0 40 HJAB Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3nc4ccc(C)cc4s3)n2)cc1 12441145 YHGNTJIJNRORNH-UHFFFAOYSA-N 418.522 4.556 0 40 HJAB OCCn1c(CN[C@@H](c2ccc(F)cc2)c2cccs2)nc2ccc(Cl)cc21 12530935 VHMCAFFHYWJMGH-NRFANRHFSA-N 415.921 4.762 0 40 HJAB Cc1ccc(-c2noc(CCC(=O)N3CCC(c4nc5ccccc5o4)CC3)n2)cc1 12882400 SOWBSPSDTBTLHV-UHFFFAOYSA-N 416.481 4.525 0 40 HJAB CC(C)(C)C(=O)NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl 13031036 HDLWZQBWPKLVNS-UHFFFAOYSA-N 401.913 4.972 0 40 HJAB C[C@@H](SCCOc1ccccc1Cl)C(=O)N1c2ccccc2NC(=O)C1(C)C 15492175 YNGOTOVXXRKFKR-CQSZACIVSA-N 418.946 4.604 0 40 HJAB COc1ccc(CN2CCC([C@@H](NC(=O)CC3CCCC3)c3ccccn3)CC2)cc1 19554950 DGOMQHRNEYMSBI-AREMUKBSSA-N 421.585 4.740 0 40 HJAB Cc1c(-c2cccs2)n[nH]c1C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 19555128 LGQGGFDPCGQMOD-LJQANCHMSA-N 411.527 4.735 0 40 HJAB Cc1cccc(CSCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 20045889 GIHOPBXEHFVYPR-UHFFFAOYSA-N 413.564 4.999 0 40 HJAB COc1cccc(CN2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCCC5)c1 20403806 VFWGXNRSNVWTEL-UHFFFAOYSA-N 411.885 4.686 0 40 HJAB COc1ccc(NC(=O)NCCSCc2ccc(Br)s2)cc1 31661296 HZCQMHOKOKIZLM-UHFFFAOYSA-N 401.351 4.574 0 40 HJAB CC(C)[C@@H](NC(=O)C1CCN(C(=O)c2ccncc2)CC1)c1ccc(C(C)(C)C)cc1 32613184 IONLFMMYIFPWLN-HSZRJFAPSA-N 421.585 4.745 0 40 HJAB COc1cccc(NC2(c3nnnn3-c3ccccc3C)C3CC4CC(C3)CC2C4)c1 35170762 JUOZJGKHEJCISF-UHFFFAOYSA-N 415.541 4.743 0 40 HJAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCCCc1ccc(Br)cc1 40131177 DELHUVCPDRUKKC-UHFFFAOYSA-N 424.360 4.513 0 40 HJAB Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1ccc(C(C)C)cc1)C3 49003157 IPVIJBLLNNHULD-UHFFFAOYSA-N 423.944 4.610 0 40 HJAB Cc1sc2ncnc(SCC(=O)N[C@@H]3CCCOc4ccc(F)cc43)c2c1C 54283373 WZNQTWBPCNJJSX-OAHLLOKOSA-N 417.531 4.569 0 40 HJAB COc1ccc(Cl)cc1-c1nc(S)n(CN2CCc3sccc3[C@H]2C)n1 57451895 OVZMJIUKTXPTBZ-LLVKDONJSA-N 406.964 4.534 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC[C@H]2c2ccccc2C)cc1 58413102 PACGISHDDYBCTL-FQEVSTJZSA-N 406.555 4.978 0 40 HJAB O=C(CCc1cccc(Cl)c1Cl)Nc1ccc(CN2C(=O)CSC2=O)cc1 69978692 LHVKTQSYZKBXSA-UHFFFAOYSA-N 423.321 4.760 0 40 HJAB COc1ccccc1Cc1cccc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 72349614 DDHMESDISIOVKE-OAQYLSRUSA-N 418.512 4.769 0 40 HJAB C[C@H](CC(=O)NC[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 95468397 APFGAKLQYVVNGY-FXCLAUTBSA-N 418.459 4.535 0 40 HJAB Cc1ccc(-c2nn3c(N4CCN(Cc5ccccc5)CC4)cc(C)nc3c2C)cc1 95958422 LSYDLQRKLFTBMJ-UHFFFAOYSA-N 411.553 4.644 0 40 HJAB Cc1c(Cl)cccc1NC(=O)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 102833604 WLQXDTFHUSSCJW-RCRDTURJSA-N 405.329 4.828 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 222544996 DVVDOFGCUZRAHN-QFIPXVFZSA-N 414.977 4.831 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnc(-c3ccc(F)cc3)nc2C)CC1 222584604 QWSKEVLKZXBOAE-UHFFFAOYSA-N 424.907 4.515 0 40 HJAB COC(=O)c1cn(C(=O)COc2ccc(Cl)cc2Br)c2ccccc12 222610595 UVDBGGYIZHFPGE-UHFFFAOYSA-N 422.662 4.563 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222674146 RJDZMACWUWOHTR-HNNXBMFYSA-N 421.368 4.868 0 40 HJAB Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)o2)cc1 223322058 MQVJDJWZRIYNRY-MTNREXPMSA-N 423.513 4.632 0 40 HJAB Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ccc(C)cc4C)ccc32)cc1 223374178 HRCNCWFVVRKCQK-UHFFFAOYSA-N 420.534 4.616 0 40 HJAB COc1ccc(CN(C(=O)C(C)C)[C@H](C(=O)NCCC(C)C)c2ccccc2)cc1 223557292 HJFCXKJLINPBCN-QHCPKHFHSA-N 410.558 4.583 0 40 HJAB COc1cccc(OCc2cc(C(=O)Nc3cc(OC)ccc3OC)ccc2OC)c1 224255221 AWSPMXKOERYWQS-UHFFFAOYSA-N 423.465 4.552 0 40 HJAB O=S(=O)(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc(Cl)ccc1Cl 224537796 XKSRVOPWVGNPAO-UHFFFAOYSA-N 420.730 4.966 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C 224928928 XDBWKGRHADBGQC-OAQYLSRUSA-N 400.950 4.605 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 225542731 GMUQMGRRGCRHBC-GCJKJVERSA-N 414.977 4.913 0 40 HJAB Cc1cccnc1Nc1ccc([C@@H]2CN(Cc3cccc4ncccc34)CCO2)nc1 257256716 KMODGUWFAXWQNU-DEOSSOPVSA-N 411.509 4.650 0 40 HJAB O=C(c1ccccc1CN1CCCC1)N1CCC[C@H](Cc2cccc3ncccc23)C1 257268614 MMKRIWMTTDJRPV-OAQYLSRUSA-N 413.565 4.926 0 40 HJAB COc1ncccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257312810 UPQFUTCKDIJQGA-IBGZPJMESA-N 411.889 4.690 0 40 HJAB O=C(c1ccsc1)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CC3)c12 306130600 JKSGNBHUVIVOBZ-UHFFFAOYSA-N 405.523 4.546 0 40 HJAB COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl 408609162 LWWBZGBPOKXDFO-UHFFFAOYSA-N 400.205 4.822 0 40 HJAB CCc1ccc(-n2c(SCC(=O)N3CCCC[C@@H]3C)nnc2-c2ccccc2)cc1 409214154 WGZRONOLLRHIBB-SFHVURJKSA-N 420.582 4.990 0 40 HJAB Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCCCN2C(=O)/C=C/c2ccco2)n1 585291720 FIIRNESTFWHFGN-IJDCCNJMSA-N 409.515 4.654 0 40 HJAB CCC(C)(C)C(=O)O[C]1C[C@@H](C)C=C2C=CC(C)=C(CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 1560411645 BVHNQUYLOAJITB-LONFEIEESA-N 415.550 4.813 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@H](COc2ccncc2)C1 1775970731 QELOYJMBULHEAX-INIZCTEOSA-N 411.889 4.630 0 40 HJAB Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 836506 KWWLDKBFVYOTGO-UHFFFAOYSA-N 407.853 4.940 0 40 HJAB CCc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 919652 AMBBCTRLNVODAY-WMLDXEAASA-N 404.392 4.951 0 40 HJAB Cc1cc2cc(C)c3nnc(SCC(=O)Nc4ccc(N(C)C)cc4)n3c2cc1C 1223275 DTNLWDLBNLDWIT-UHFFFAOYSA-N 419.554 4.605 0 40 HJAB COc1ccc(-c2c(N)n(CCc3ccccc3)c(=O)c3ccccc23)cc1OC 1315142 JKGSPHOFEQVXRS-UHFFFAOYSA-N 400.478 4.511 0 40 HJAB Cc1cc2c(ncn2Cc2ccccc2)c(NS(=O)(=O)c2ccc(F)cc2)c1C 1385893 ALWVIIAKKBPMIS-UHFFFAOYSA-N 409.486 4.641 0 40 HJAB COc1ccc([C@H]2CC(=O)c3ccccc3O2)cc1COc1ccc(NC(C)=O)cc1 2134216 YFLTXNDZGXSPKY-RUZDIDTESA-N 417.461 4.939 0 40 HJAB biogenic c1ccc(-c2nc3sc4c(N5CCOCC5)ncnc4c3c3c2CCCC3)cc1 2294346 RLGRIMSXPZYRHT-UHFFFAOYSA-N 402.523 4.622 0 40 HJAB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(Br)cc1 3216377 WFTCUWARIXTEAZ-UHFFFAOYSA-N 424.294 4.835 0 40 HJAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc(Cl)c(Cl)c1 3316740 CLQFBLXRRLDNCC-UHFFFAOYSA-N 409.294 4.718 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CCCC2 4070207 DHBVGBOUNQSBTJ-UHFFFAOYSA-N 414.346 4.880 0 40 HJAB COCCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O 4691579 YRQNSSKQNMNBKM-LDADJPATSA-N 403.887 4.602 0 40 HJAB COc1ccc2nc(N(Cc3ccccn3)C(=O)CCOc3ccccc3)sc2c1 5265122 SKHGSSLZKCBWBM-UHFFFAOYSA-N 419.506 4.702 0 40 HJAB Cc1cc(C)n(-c2nc(N3CCC(C)CC3)c3c4c(sc3n2)COC(C)(C)C4)n1 5576936 KLFNRDIMBTZBAR-UHFFFAOYSA-N 411.575 4.581 0 40 HJAB CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3C2CCCC2)cc1 5825209 YZXOXKVLWKNFRY-IBGZPJMESA-N 401.532 4.657 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(OC)cc3s2)cc1 6168733 FBCLFUSZWKBASS-UHFFFAOYSA-N 405.932 4.648 0 40 HJAB O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)c1ccc[nH]1 6228814 UEYJYZFOXYOXRH-UHFFFAOYSA-N 408.914 4.950 0 40 HJAB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1O 6394827 ZHSOMDCGUJIHFH-ZZODWALSSA-N 404.919 4.606 0 40 HJAB C[C@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 6468064 LWBSXRSUPXCDBI-INIZCTEOSA-N 401.348 4.539 0 40 HJAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 6650169 YJNIKVQLPKDGNW-HXUWFJFHSA-N 412.411 4.685 0 40 HJAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(Cl)c2)N1Cc1cccnc1 6744659 MBDLBDGGSSEJKT-JOCHJYFZSA-N 416.868 4.576 0 40 HJAB COc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)s2)c1 6788045 VCCIDSYUZMAVTC-VMUDFCTBSA-N 420.604 4.712 0 40 HJAB COc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)s2)c1 6788048 VCCIDSYUZMAVTC-ZOMKSWQUSA-N 420.604 4.712 0 40 HJAB COc1ccc(C(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)cc1 7604978 FWLSUOADMSRJKJ-UHFFFAOYSA-N 404.875 4.594 0 40 HJAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)c1 7882317 BSRHUEOTYBHIKK-QGZVFWFLSA-N 404.441 4.918 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(Br)c2)cc1OCC 8031524 KYRIVZTUKGFZQO-CYBMUJFWSA-N 422.319 4.746 0 40 HJAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N(C)c1ccccc1 8186768 AVHOPUZMIJYLLM-INIZCTEOSA-N 407.539 4.655 0 40 HJAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1ccc(F)c(F)c1F 8825287 VLFLITJRSKEGBU-UHFFFAOYSA-N 413.471 4.811 0 40 HJAB O=C(NC[C@H]1CN(c2cccc(Cl)c2)C(=O)O1)Nc1ccc(C(F)(F)F)cc1 8839592 AYEIUZLHKVZMJU-HNNXBMFYSA-N 413.783 4.506 0 40 HJAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)s1 8990645 AJUNQMDYABOUTN-VFUOJUBFSA-N 403.503 4.577 0 40 HJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 9485899 BNNLURYNOYCVSI-WMLDXEAASA-N 412.820 4.567 0 40 HJAB COc1cc(C)ccc1NC(=O)Cc1csc(NC(=O)Nc2ccc(C)cc2)n1 9625450 RAFBVBCTCPCUOD-UHFFFAOYSA-N 410.499 4.594 0 40 HJAB CCc1cccc(CC)c1NC(=O)COC(=O)CCc1ncc(-c2ccc(C)cc2)o1 10045080 OFVGSJAEDHRFLZ-UHFFFAOYSA-N 420.509 4.889 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2C)cc1 10315017 RGSCBHTZHLVMBS-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 10546028 BSXFBNPTIGPLOV-KRWDZBQOSA-N 420.513 4.930 0 40 HJAB O=C1C[C@H]([C@H]2CCCN(C(=O)c3ccc(-c4ccccc4)[nH]3)C2)Oc2ccccc21 12237005 HSSJFMDOEFWHTF-MHECFPHRSA-N 400.478 4.568 0 40 HJAB Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c1C 13583475 QPXVADFSWZHEEK-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB COc1cc(-c2nc(C)c(C(=O)Nc3ccc4[nH]ccc4c3)s2)cc(OC)c1OC 13693182 ZYZSMOVNNTYNNU-UHFFFAOYSA-N 423.494 4.878 0 40 HJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 14013214 UANVUMZRKKCMOB-QFIPXVFZSA-N 424.522 4.592 0 40 HJAB C[C@H](Sc1nnc([C@@H](C)Oc2ccccc2F)o1)C(=O)Nc1ccc(Cl)cn1 14112927 HYSNZGSUFZIYHH-MNOVXSKESA-N 422.869 4.516 0 40 HJAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccccc1Br 15536081 ILEIJXNRZXLBMY-UHFFFAOYSA-N 423.310 4.940 0 40 HJAB O=C(COc1ccc(F)cc1)Oc1cc(-c2ccc(F)cc2)c2oc(=O)sc2c1 16750761 GGEFHCPRGSNPLZ-UHFFFAOYSA-N 414.385 4.784 0 40 HJAB CCc1ncc(CN2CCC[C@H]2c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)cn1 19523410 XEYAAYWNLGRHJH-KRWDZBQOSA-N 418.467 4.561 0 40 HJAB COc1cccc(-c2cccc(CN3C[C@@H]4CCC[C@H](C3)C4(O)c3ccccn3)c2)c1 19566719 LBNDXIJOECADRH-VKSRLUHHSA-N 414.549 4.877 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 20110847 CSYPNKBERYZTOY-UHFFFAOYSA-N 420.896 4.942 0 40 HJAB COc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)c1 20274085 GTVZRZDGGZMCHJ-HXUWFJFHSA-N 419.868 4.918 0 40 HJAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccccc1-c1cccs1 22063855 HPFVGEPNPGYVRD-UHFFFAOYSA-N 420.515 4.716 0 40 HJAB O=C(Nc1ccccc1)c1ccc(COC(=O)c2cnn(Cc3ccccc3)c2)cc1 22133011 WNXDUFFMXFJRAY-UHFFFAOYSA-N 411.461 4.541 0 40 HJAB C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2cccc3ccccc23)CC1 22808266 LKGDVPMIHAPRDG-SFHVURJKSA-N 416.500 4.908 0 40 HJAB O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)Cc1cccc2cccnc12 25812315 AKNRNGNUJAEDMH-UHFFFAOYSA-N 406.482 4.765 0 40 HJAB COCc1c(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)sc2cccc(F)c12 26390659 XTZHSJJHCQWWNV-AWEZNQCLSA-N 424.501 4.601 0 40 HJAB CC(C)c1ccc2c(c1)[C@@]1(CC(O)=Nc3c1cnn3Cc1ccc(Cl)cc1)C(=O)N2 32104002 ICRDUXFIQBXBKI-HSZRJFAPSA-N 420.900 4.938 0 40 HJAB CN(C(=O)C[S@@](=O)Cc1csc(-c2ccccc2Cl)n1)C1CCCCC1 32801424 CJSYLULNNGVAFY-AREMUKBSSA-N 410.992 4.503 0 40 HJAB COc1ccccc1OCc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)o1 40130542 ZXTHFCJYKTWVCV-DEOSSOPVSA-N 414.461 4.782 0 40 HJAB Cc1nc2nc(N3CCC(C)CC3)[nH]c(=O)c2c(=S)n1-c1ccc2ccccc2c1 40386888 FJNIBQDMQXNKPJ-UHFFFAOYSA-N 417.538 4.536 0 40 HJAB CC(C)(C)c1ccc(C(=O)NCCCC(=O)Nc2ccc(Br)cc2)cc1 41157405 WBRFHLUEAZZYMM-UHFFFAOYSA-N 417.347 4.895 0 40 HJAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cccc(OCc2ccccc2)c1 44872488 VVAQRNVWUVZKKL-UHFFFAOYSA-N 400.522 4.791 0 40 HJAB O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 60063047 YAJBGGGXWQGZGD-UHFFFAOYSA-N 422.916 4.511 0 40 HJAB Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)c1 72345317 ZLPASPXBQHSSKQ-GBXCKJPGSA-N 418.581 4.558 0 40 HJAB O=C(C[C@H]1OCCc2ccccc21)Nc1cc(C(F)(F)F)ccc1-n1cccn1 79356477 UHYIAPSOBUWLHV-LJQANCHMSA-N 401.388 4.534 0 40 HJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCCOc1ccc(Cl)cc1 95482286 LSGMSOXYFDWTSX-UHFFFAOYSA-N 420.296 4.861 0 40 HJAB O=C(Nc1ccc(OCc2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 96318728 KPFVKWVAEJHBCC-UHFFFAOYSA-N 401.510 4.615 0 40 HJAB CC(=O)N(c1nc(COC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)cs1)c1ccc(F)cc1F 103100369 DJHCDSOCUVNIEG-RBSFLKMASA-N 420.481 4.975 0 40 HJAB Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3C(=O)O)c3ccccc3C2=O)cc1C 103555264 LJOPWGHXUONHCK-STZFKDTASA-N 412.445 4.642 0 40 HJAB C[C@@H]1[C@H](CCC(=O)O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 118936255 WEBIGGMMPNOWDP-BVAMESEYSA-N 404.591 4.884 0 40 HJAB Cc1ccc(C)c(N(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1 138929252 JVAFIFKHMZBTNR-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB C[C@]1(C(=O)NCCc2ccc(C(F)(F)F)cc2)CC(c2ccccc2Cl)=NO1 141568149 IYJSURGWZMNEAM-LJQANCHMSA-N 410.823 4.601 0 40 HJAB COc1ccccc1Oc1ccc(NC(=S)NCCCc2ccc(F)cc2)cn1 223969978 DIXMVVXDRSABAX-UHFFFAOYSA-N 411.502 4.941 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1ccccc1Cl 224480541 RKCDNYYNDOYORC-UHFFFAOYSA-N 424.884 4.669 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NC[C@H](C)c2ccccc2)c1 225139777 GOYXDLBOKWUNQZ-CEZZIEKDSA-N 404.535 4.747 0 40 HJAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1C 225173321 VYDZOQXVWNHDGJ-VXKWHMMOSA-N 419.554 4.552 0 40 HJAB Cc1cccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)C)c1 225515522 HAAZKQXXQRMSHT-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(N3CCCC3=O)cc1)CC(C)(C)O2 225675334 BGMRANHANGQPTG-IBGZPJMESA-N 409.555 4.711 0 40 HJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](CC)c2ccc(OC)c(OC)c2)c(C)c1 225720335 HQYSEKCBVDXERZ-KRWDZBQOSA-N 416.543 4.627 0 40 HJAB COc1ccccc1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257306987 SWULCZBCOHPPIQ-OAQYLSRUSA-N 408.473 4.709 0 40 HJAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 408812062 LBSXXFHRNJPHQD-UHFFFAOYSA-N 409.418 4.547 0 40 HJAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3c(F)cccc3Cl)C2=O)cc1 409181394 CHCJBTHZRWJPHY-YVLHZVERSA-N 418.877 4.717 0 40 HJAB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 409217773 WMQHXGHPHSYKGK-CAOOACKPSA-N 405.859 4.607 0 40 HJAB CCS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2ccc(F)c3ccccc23)cc1 564009449 MUZCTULKASKTRX-MRXNPFEDSA-N 413.514 4.583 0 40 HJAB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(-c2ccccc2)o1 719312 WNNYKGLNPKGJCZ-OQKWZONESA-N 415.518 4.739 0 40 HJAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1cccs1 894867 NTGTZWDSZVBNOA-UHFFFAOYSA-N 417.508 4.923 0 40 HJAB CCOc1ccc(CN(Cc2ccco2)C(=O)c2cc3ccccc3oc2=O)cc1 1224448 OMFQMXYYUBXGFR-UHFFFAOYSA-N 403.434 4.627 0 40 HJAB CCCc1nc2sc3c(NC[C@@H]4CCCO4)nc(SC)nc3c2c2c1CCC2 2399619 AJFGMWSLCWFFMR-LBPRGKRZSA-N 414.600 4.994 0 40 HJAB O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2)c1ccco1 2419200 ADNPCRIESJVMON-ROUUACIJSA-N 419.872 4.923 0 40 HJAB CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21 2434735 DURJHHZBLYKNTD-UHFFFAOYSA-N 406.486 4.863 0 40 HJAB O=C(CNc1cccc(Br)c1)Nc1ccccc1C(=O)Nc1ccccc1 3344483 NQUARQBFNXCLBD-UHFFFAOYSA-N 424.298 4.752 0 40 HJAB CCOC(=O)c1oc2ccc(Br)cc2c1CSc1nnc(C)s1 3416198 QOFUSEJVOGYLJR-UHFFFAOYSA-N 413.318 4.824 0 40 HJAB O=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1cccc(Cl)c1 4036365 GYASFVOGBBLPTR-UHFFFAOYSA-N 401.900 4.813 0 40 HJAB O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Cl)cc1 4200723 HKXJYJZRFUAALH-UHFFFAOYSA-N 401.900 4.813 0 40 HJAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1cc(Cl)ccc1Cl 4251874 WHKIRPCAULZWHF-LLVKDONJSA-N 407.326 4.690 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 4288490 WNEDFKUAUCRYLT-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB COc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3ccc(F)cc3c2=O)cc1 4937125 ZEGRRKZFUNYSAD-UHFFFAOYSA-N 401.437 4.737 0 40 HJAB CC(C)(C)c1cc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)on1 5315828 JKBGMEYBSMBTGT-UHFFFAOYSA-N 406.558 4.680 0 40 HJAB CC1CCN(C(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 5482692 DFVDSWOZXNMCOG-UHFFFAOYSA-N 401.304 4.574 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1cccc(C)c1 5500234 JUIIHIYHAPIOIY-UHFFFAOYSA-N 416.934 4.666 0 40 HJAB Cc1c(C(=O)OCC(=O)NCCC2=CCCCC2)oc2ccc(Br)cc12 6280279 PMCQKXYGYMLOJX-UHFFFAOYSA-N 420.303 4.667 0 40 HJAB CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 6814465 YZGNWFJLGJSTGB-UHFFFAOYSA-N 407.495 4.649 0 40 HJAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(OCCC(C)C)cc3)CC2=O)cc1 6880984 KOCCRJQTFOEMFI-IBGZPJMESA-N 424.541 4.892 0 40 HJAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccc(N2CCCCCC2)cc1 7105660 TULYEWSCFYDOCI-UHFFFAOYSA-N 411.575 4.602 0 40 HJAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nc(C(F)(F)F)nc2ccccc12 7160536 MVEWCVHNFCWHHV-AWEZNQCLSA-N 419.472 4.878 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(C3CC3)nc3ccccc23)c1C 7822034 FKOUGHNWJBLPRY-HNNXBMFYSA-N 404.466 4.688 0 40 HJAB COc1cc(Br)c(CSc2nnc(C3CC3)n2C2CC2)cc1OC 7906006 YIRSNSYKJFYITG-UHFFFAOYSA-N 410.337 4.562 0 40 HJAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=S)NC(=O)CC(C)C 8367693 SBHIZCOUBHPQRZ-UHFFFAOYSA-N 417.538 4.741 0 40 HJAB COc1ccccc1NC(=O)c1cc(SCC(=O)c2ccc[nH]2)nc2ccccc12 8394618 HJKZRPFDCVKDCZ-UHFFFAOYSA-N 417.490 4.799 0 40 HJAB COc1cccc(C(=O)C[C@H](c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1 8475343 UAWKMYNPSLTWND-HSZRJFAPSA-N 412.482 4.931 0 40 HJAB COc1ccccc1OCC(=O)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 8725227 ZNGFQQIMTGJURU-UHFFFAOYSA-N 405.479 4.740 0 40 HJAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 8985277 LWYTWBKZGIAWGG-UHFFFAOYSA-N 424.504 4.525 0 40 HJAB CCN(C(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O)c1ccc(F)cc1 9579531 NQQWCLWTNDDXAL-UHFFFAOYSA-N 421.497 4.626 0 40 HJAB O=C(CCc1nc(-c2cccs2)no1)NCc1ccc(Oc2ccc(F)cc2)cc1 9861755 NZLWEJOQJUDUOR-UHFFFAOYSA-N 423.469 4.979 0 40 HJAB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccc2ccccc2c1 9891958 NHOSCHSLGUCGOX-UHFFFAOYSA-N 424.456 4.888 0 40 HJAB CCc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 10325210 AKTVVWFXYXFFFN-QGZVFWFLSA-N 420.534 4.641 0 40 HJAB Cc1ccc(N(CCCC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1C 10360731 WPNIASNOONWXHC-UHFFFAOYSA-N 410.539 4.642 0 40 HJAB CN(Cc1cccc(F)c1)C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 12556939 CCIAZIPXGZTHMK-CCEZHUSRSA-N 424.497 4.511 0 40 HJAB CCc1cc2c(=O)n(CCCOC)c(SCc3cc(C)ccc3OC)nc2s1 12808498 DSYQXVNPEGINQG-UHFFFAOYSA-N 418.584 4.666 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3C)C2)c2ccccc12 12856273 QYHQXMZIYNIIKE-SFHVURJKSA-N 402.494 4.648 0 40 HJAB O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccc2c(c1)OCCCO2 14386388 ZEZAMPQSCWQUME-XFKLWTPLSA-N 420.347 4.910 0 40 HJAB CCc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 17090079 BFHNRIKVGTXGMW-OAHLLOKOSA-N 414.571 4.578 0 40 HJAB COc1ccc(CN2CCCC[C@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 19081725 NIGFCWPBZVFLLQ-NZQKXSOJSA-N 409.574 4.738 0 40 HJAB Clc1ccc(-c2[nH]ncc2CN2CCN(Cc3ccccc3)CC2)c(Cl)c1 19362896 KHIZKGVOOUEFIX-UHFFFAOYSA-N 401.341 4.701 0 40 HJAB Cc1cccc(CN2CCC(Cc3ccc(-c4ccccc4F)cc3)(C(N)=O)CC2)n1 19700505 FRJLLRUBXUJKFK-UHFFFAOYSA-N 417.528 4.506 0 40 HJAB Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccccc1C(C)C 20063259 BKTPJRKZRKLJEV-UHFFFAOYSA-N 420.534 4.933 0 40 HJAB C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(C(C)(C)C)cc1 20456194 NZZAHUGTRVLXKB-CYBMUJFWSA-N 408.951 4.500 0 40 HJAB O=S(=O)(c1ccccc1)N(Cc1ccccc1)Cc1coc(-c2ccccc2)n1 21282203 WLZCFFXNFQDQHR-UHFFFAOYSA-N 404.491 4.733 0 40 HJAB Cc1ccc([C@H](NCc2nc3ccc(Cl)cc3n2CCO)c2cccs2)cc1 25139239 OPDVMGASKZRNRL-QFIPXVFZSA-N 411.958 4.931 0 40 HJAB COc1ccc(CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1OC 28224670 GJHCJNZPSDEWBR-UHFFFAOYSA-N 417.461 4.959 0 40 HJAB O=C(NC1CCCCCCC1)C1CCN(Cc2ccc(Br)cc2)CC1 30944075 VUIAZOAXNMYNOC-UHFFFAOYSA-N 407.396 4.890 0 40 HJAB Cc1noc2ncc(C(=O)Nc3ccc(OC(F)F)c(Cc4ccccc4)c3)cc12 30948708 MEUOBNPOGHOUFR-UHFFFAOYSA-N 409.392 4.976 0 40 HJAB COc1ccc(-c2nnc([C@@H](C)Sc3nnc(COc4ccc(C)cc4)o3)o2)cc1 31621231 RZYMBKLLESACHF-CQSZACIVSA-N 424.482 4.869 0 40 HJAB CCOc1ccc(-c2noc(CNc3cc4c(cc3Cl)OCCCO4)n2)cc1 32803952 KPOOOQZAAHOYTD-UHFFFAOYSA-N 401.850 4.562 0 40 HJAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cc2ccccc2oc1=O 36648663 LVISGBHKGQVSPY-OAQYLSRUSA-N 408.457 4.836 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(OCc2ccc(F)cc2)c1 39976082 MBAGYGDYQJVIGN-UHFFFAOYSA-N 407.441 4.817 0 40 HJAB COCc1nn2c(ncc3c(=O)n([C@H]4CCCC[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40397112 XUWDEYRBQBFSHM-YWZLYKJASA-N 420.488 4.748 0 40 HJAB Cc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)Nc2c(Cl)cccc23)cc1C 49947065 LEHKBAQBCNAICL-HSZRJFAPSA-N 403.869 4.834 0 40 HJAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NC[C@@H]1CCCN2CCCC[C@H]12 79192600 IEDARNZRAAWRIN-XZOQPEGZSA-N 401.554 4.689 0 40 HJAB biogenic CCSc1nc2n(n1)[C@H](c1ccccc1)C(C(=O)Nc1ccc(CC)cc1)=C(C)N2 80324674 CLBQQPSAFRMYSP-HXUWFJFHSA-N 419.554 4.880 0 40 HJAB COc1ccccc1OCC(=O)N(c1ccccc1)c1ncccc1Br 89481831 MWFLMNOQAWYJLN-UHFFFAOYSA-N 413.271 4.596 0 40 HJAB CC(=O)c1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)c1 90610092 LYTYQFSZBRVULV-UHFFFAOYSA-N 420.856 4.700 0 40 HJAB CC(C)(C)c1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1 98212565 VXRQTMVOQJHHKA-UHFFFAOYSA-N 402.542 4.773 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 222945139 SJXUBMSOCHWDKI-OAHLLOKOSA-N 421.368 4.868 0 40 HJAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1Br 222955053 CAMCRAVLRZWXLO-HNNXBMFYSA-N 402.332 4.893 0 40 HJAB CCc1cc(S(=O)(=O)N[C@H]2CC(CC)(CC)Oc3ccccc32)ccc1OC 222995858 WGLPHLUYWXCNPF-IBGZPJMESA-N 403.544 4.619 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(C)c1 223083738 FSDWHYZHRNUBBG-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1C1CCCCC1 223112066 XRFCSBQCMUUQKI-DHIUTWEWSA-N 417.582 4.632 0 40 HJAB COc1ccc2cc(S(=O)(=O)NCCSCc3ccccc3Cl)ccc2c1 224023755 GBQHASNYOSUPOP-UHFFFAOYSA-N 421.971 4.714 0 40 HJAB Cc1cccc(CN(C(=O)COc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)c1 224729631 FZCPLNXQKATUSS-NRFANRHFSA-N 422.569 4.548 0 40 HJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 225068835 CDLFRLCKMCVAQQ-OAQYLSRUSA-N 416.565 4.758 0 40 HJAB CC(C)Oc1cccc(CCCNC(=S)Nc2ccc(N3CCCC3=O)cc2)c1 225565999 ATBJNWZQLXFYBB-UHFFFAOYSA-N 411.571 4.520 0 40 HJAB Cc1cccc(CSCCCNC(=S)Nc2cccc(N3CCCC3=O)c2)c1 225605002 GHWIKHADLRNWQB-UHFFFAOYSA-N 413.612 4.732 0 40 HJAB O=C(N1CCOC[C@H](Cc2ccc3ccncc3c2)C1)C1(c2ccccc2)CCCC1 257301661 RZHYXJPOZBEGDU-JOCHJYFZSA-N 414.549 4.764 0 40 HJAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2Cl)c1C 408665687 VTSAZZWLDSNFAQ-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB O=C(CCC1CCCC1)N1CCOCCOc2ccccc2Oc2ncccc2C1 643573855 MZLZSXYRDWSXCI-UHFFFAOYSA-N 410.514 4.582 0 40 HJAB COc1cc2ccccc2cc1C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 677493 LQXJWDPLSFIUQE-UHFFFAOYSA-N 412.424 4.974 0 40 HJAB COc1ccc(C)cc1NC(=O)CSc1nnc2c(C)cc3ccc(C)cc3n12 903099 CTJYCHCYKNABPO-UHFFFAOYSA-N 406.511 4.547 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918165 VJXSLHSWYPJELF-LBPRGKRZSA-N 412.371 4.600 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)cc1 937465 NOTFMOWDGUDUDK-UHFFFAOYSA-N 410.524 4.587 0 40 HJAB CC(C)CCOC(=O)[C@H]1C(=O)Oc2ccc(Br)cc2[C@H]1c1ccccc1 1322387 SIEQNYRGGIAZML-MOPGFXCFSA-N 417.299 4.706 0 40 HJAB biogenic CCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1 1436660 NLFNQPYKWKZZSD-UHFFFAOYSA-N 420.494 4.573 0 40 HJAB Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccc2F)n1 2401892 MLYFBLKWTKSKNE-HXUWFJFHSA-N 404.372 4.524 0 40 HJAB Cc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2cccc(O)c2)nc1 2705006 SKWPYEJMNFLMRX-JOCHJYFZSA-N 412.445 4.569 0 40 HJAB CCCCc1ccc(NC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1 3283758 NSLKQDNIHHRHBG-NTEUORMPSA-N 403.425 4.826 0 40 HJAB COc1ccc(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)cc1OC 3311231 PCNOSUNJNNIZPK-UHFFFAOYSA-N 401.513 4.582 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCc1nc2ccccc2s1 3316619 QVAYAMCXRXNYNH-UHFFFAOYSA-N 402.903 4.763 0 40 HJAB Cc1oc2c(C)c3oc(=O)c(CC(=O)NC4CC4)c(C)c3cc2c1-c1ccccc1 4090063 IXMPECBSPKENRD-UHFFFAOYSA-N 401.462 4.953 0 40 HJAB biogenic Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc4ncsc4c3)sc2c1 4359556 SMRJRHVRJGOCKF-UHFFFAOYSA-N 410.568 4.813 0 40 HJAB CC(C)(C)c1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 4704648 WKQLNWRXWVQKKM-LDADJPATSA-N 413.315 4.840 0 40 HJAB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4ccco4)ccc3O)nc2c1 4739320 JPPKWWZYLFWECJ-UHFFFAOYSA-N 407.451 4.537 0 40 HJAB CCc1cccc(C)c1NC(=O)COc1cccc(C(=O)NCc2ccccc2)c1 5090049 SRLZFTKTQBJKOX-UHFFFAOYSA-N 402.494 4.505 0 40 HJAB COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3ccccc3)nc12 5142403 HJBRESCXKKKYQF-UHFFFAOYSA-N 405.479 4.556 0 40 HJAB O=C(O)c1cc(-n2c(S)nnc2-c2ccc(Cl)cc2Cl)ccc1Cl 6659224 AYWBGBSLKQCJLB-UHFFFAOYSA-N 400.674 4.881 0 40 HJAB COCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccccc1OC 6665200 DWGJZGHZKBWXAO-UHFFFAOYSA-N 418.497 4.556 0 40 HJAB CC(C)Cn1c(Cn2ccnc2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 6665554 LBMRHKPSDMXRLH-UHFFFAOYSA-N 407.905 4.843 0 40 HJAB CCOc1ccc(C[C@@H]2SC(=O)N(Cc3ccccc3Cl)C2=O)c(OCC)c1 6961784 MPOGHFPYRKFYSH-IBGZPJMESA-N 419.930 4.944 0 40 HJAB O=C(O)c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 7603911 ZYUWLIRNASEBIE-UHFFFAOYSA-N 404.029 4.628 0 40 HJAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccccc1Br 7797894 PPZZAMTYWVDUDI-GOSISDBHSA-N 407.739 4.669 0 40 HJAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2ccccc2c1)c1cccc(Cl)c1 8041544 IRIBSFMLKWAKSO-UHFFFAOYSA-N 416.930 4.678 0 40 HJAB CC(C)Cn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccccc1F 8651404 QIWSNCRWQCXHEC-AWEZNQCLSA-N 423.517 4.830 0 40 HJAB O=C(c1ccc(Br)cc1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 8868394 UJSNRWNCRKUVLD-SFHVURJKSA-N 408.723 4.924 0 40 HJAB CCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1C1CC1 9593617 ITKPQJOGKKSCFN-LJQANCHMSA-N 408.527 4.656 0 40 HJAB CN(c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1)S(=O)(=O)c1cccs1 10009593 JAIIUMDPBCQBJI-UHFFFAOYSA-N 422.531 4.979 0 40 HJAB Cc1cccc(N(Cc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)S(C)(=O)=O)c1 10332051 WHLMUJLTUGAQNU-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2ccccc2C)NC(=S)N1c1ccccc1 10353045 NBQMVJFRRSWXOQ-NRFANRHFSA-N 418.522 4.640 0 40 HJAB COc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)o1 12177043 SUSUYGQKKBTULC-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB O=C(CSc1ccccn1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 12609361 OMBNCFXTZNIANJ-KRWDZBQOSA-N 403.463 4.891 0 40 HJAB Clc1ccc(-n2nnnc2SCc2c(-c3ccccc3)nc3ccccn23)cc1 12634165 XOADMVLGFMISCX-UHFFFAOYSA-N 418.913 4.923 0 40 HJAB COc1ccccc1-c1nc(CN(C)CC(=O)Nc2ccccc2Cl)cs1 13058025 QSRAZMOLPDUDLT-UHFFFAOYSA-N 401.919 4.543 0 40 HJAB COc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)c(OC)c1 13628182 KWYJQTHJILLJRJ-KRWDZBQOSA-N 413.477 4.635 0 40 HJAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 13871295 NPLZRGNNGSKQOO-QGZVFWFLSA-N 424.570 4.865 0 40 HJAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1csc(-c2ccsc2)n1 14246591 BHUYSLGDTIYWPR-UHFFFAOYSA-N 406.916 4.616 0 40 HJAB COc1cc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc(OC)c1OC 16195254 QWDFSUNEGBHUMJ-UHFFFAOYSA-N 423.494 4.845 0 40 HJAB CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 16309995 VPHCLSRMRHGPKU-HXUWFJFHSA-N 420.513 4.565 0 40 HJAB CCCOc1cc2c(cc1CN[C@H](Cc1ccsc1)c1nccs1)OCO2 19503856 LJDUGVQHRJCTAJ-MRXNPFEDSA-N 402.541 4.796 0 40 HJAB Cn1cc(CN2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)cn1 19688437 CDNHXXGDSRPJMK-OAQYLSRUSA-N 400.448 4.762 0 40 HJAB Cc1cc(C)c2[nH]c(C)c(CC(=O)Nc3cccc(C(=O)N4CCCC4)c3C)c2c1 19715601 SOLZEMMWVXETEK-UHFFFAOYSA-N 403.526 4.819 0 40 HJAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 19718157 XQYZTHZNSWFFOM-IBGZPJMESA-N 408.429 4.619 0 40 HJAB COc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)cc1 21524699 PDLKIIYNYKQOPS-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB CCn1c(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)nc2ccccc21 21592786 BPIALJUCDRDQFU-UHFFFAOYSA-N 415.428 4.959 0 40 HJAB C[C@@H]1c2ccsc2CCN1C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 21840618 MYAXUNBLIGXAPQ-LLVKDONJSA-N 402.317 4.660 0 40 HJAB O=C(Cc1ccc(O[C@H]2CCCCO2)cc1)c1ccc(O[C@@H]2CCCCO2)cc1O 21982290 OWTDXASPDWYLTG-BJKOFHAPSA-N 412.482 4.628 0 40 HJAB CCOc1cc(CNc2nnnn2CC)ccc1OCc1ccc(Cl)cc1Cl 22111889 AZXSMRINZQAAIW-UHFFFAOYSA-N 422.316 4.590 0 40 HJAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)OCCCO2 30623869 MQYJZQYMHZPCGW-UHFFFAOYSA-N 414.458 4.583 0 40 HJAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c(C)c1 32601644 DSYCKYWADNEWEI-UHFFFAOYSA-N 409.433 4.617 0 40 HJAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c1 32744794 AJINSRMAPGKIMN-UHFFFAOYSA-N 407.514 4.532 0 40 HJAB CC(=O)Nc1cccc([C@H](C)N(CC(=O)N[C@H]2CCCC[C@H]2C)Cc2ccccc2)c1 32909356 WWJSHHNOZQNMMT-RNHFSVANSA-N 421.585 4.903 0 40 HJAB CCOP(=O)(OCC)[C@@H](NC(=O)/C=C\c1ccc(OC)cc1)c1ccccc1 33413435 PHPIHWTXCCRADC-QTIWRUEGSA-N 403.415 4.790 0 40 HJAB O=C(NC1CCCCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 38772770 IZJLLNPTDUEACH-UHFFFAOYSA-N 420.962 4.984 0 40 HJAB COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c(OC)c1 38834641 PHOVDCAFAGKZSO-HNNXBMFYSA-N 423.340 4.861 0 40 HJAB COc1ccc(Cc2cnc(NC(=O)c3oc(Br)cc3C)s2)cc1 44465977 AVZMIWPBIJAQDK-UHFFFAOYSA-N 407.289 4.659 0 40 HJAB CCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)cc1 68713056 SXWITUZHGGUSNO-RUZDIDTESA-N 419.908 4.910 0 40 HJAB Cc1csc(Nc2cccc(NS(=O)(=O)c3ccc(F)c4ncccc34)c2)n1 72045283 YPLCMKQBQBLTOX-UHFFFAOYSA-N 414.487 4.683 0 40 HJAB CCC(CC)C(=O)N1CCC[C@H](c2nc(N3CCCCC3)ncc2-c2cccnc2)C1 72338420 RZTOBONDYLUSQP-NRFANRHFSA-N 421.589 4.671 0 40 HJAB O=C(NCc1cccnc1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 95477462 GHYVNPORFWGDOO-HSZRJFAPSA-N 417.553 4.583 0 40 HJAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1cc(C)cc(C)c1 101147914 ZLWABCRWWWBVAL-UZLBHIALSA-N 417.303 4.844 0 40 HJAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCc1ccc2ccccc2c1 107906261 LLJUEXIEDUVGMH-UHFFFAOYSA-N 407.535 4.825 0 40 HJAB O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 169708669 BZDAXARBZUSXCH-RACPRAJYSA-N 402.538 4.892 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 222705653 VJQMESYOALFBLD-HXUWFJFHSA-N 421.368 4.868 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(CC)cc1 223735964 BVSRRTUOAKTHOY-DEOSSOPVSA-N 424.585 4.660 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 224874463 FCALZPFPVWMCPK-LJQANCHMSA-N 412.549 4.825 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 225051102 IUXAELSAQHKPDV-ZWKOTPCHSA-N 400.950 4.523 0 40 HJAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CC(c1ccccc1)c1ccccc1 225434746 UHXONYSJSMQUMT-IBGZPJMESA-N 418.512 4.511 0 40 HJAB CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)[C@H]2C[C@H]2C)CC1 257279461 OGTKNKVFMQYXSH-YKSBVNFPSA-N 418.581 4.686 0 40 HJAB COc1c(Br)cc(Br)cc1/C=C1\C(=O)Nc2ccccc21 409119445 PRHPKKSVJWSILP-GHXNOFRVSA-N 409.077 4.713 0 40 HJAB CCCCCN1C(=O)S/C(=C\c2cc(Br)c(OC)c(OC)c2)C1=O 409214543 VXAACBUDQPVTAQ-UVTDQMKNSA-N 414.321 4.693 0 40 HJAB Cc1ccc2c(c1)[C@@H](N1CCOCC1)CC21CCN(C(=O)c2cccc(Cl)c2)CC1 2055738865 WJIXXESWODFMBR-QHCPKHFHSA-N 424.972 4.599 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)cc1 649039 BKSWRXQBROKCRR-UHFFFAOYSA-N 401.462 4.793 0 40 HJAB aggregator COc1cc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc(OC)c1OC 812042 ZDYTXHKYTCPLGV-UHFFFAOYSA-N 413.282 4.881 0 40 HJAB Cc1ccc(F)c(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1 902123 APKXPCPIZCCJLP-UHFFFAOYSA-N 411.380 4.934 0 40 HJAB COc1ccc(-c2ccc(SCC(=O)c3ccc(Cl)cc3)nn2)cc1OC 1332329 PBNVMSDJTKZOIR-UHFFFAOYSA-N 400.887 4.789 0 40 HJAB CCCSc1nc2nc3c(cc2c(=O)n1-c1ccc(C)cc1)CO[C@](C)(CC)C3 1833639 TVAWZFSGDANXRV-HSZRJFAPSA-N 409.555 4.833 0 40 HJAB O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)Nc1ccc(Cl)cc1 2324686 DMCXBWXKTCZFBN-UHFFFAOYSA-N 421.913 4.714 0 40 HJAB CCC(=O)N(Cc1ccc(OC)cc1)C(=O)CC[C@@]1(C(C)C)CCOC(C)(C)C1 2357824 KPTQCHDSSLJPRC-XMMPIXPASA-N 403.563 4.972 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)c(C)n1Cc1ccco1 2619927 HMBRIMTWSDHCOQ-UHFFFAOYSA-N 424.501 4.656 0 40 HJAB COc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1OC 3240542 QHZIPOBPQDFIKW-UHFFFAOYSA-N 421.474 4.690 0 40 HJAB O=C(CSc1nc2ccccc2s1)Nc1nnc(-c2ccc(F)cc2)s1 4174408 UFXLAPIDTHTOCA-UHFFFAOYSA-N 402.501 4.685 0 40 HJAB CCCCCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)Cc2ccccc2)cc1 4309849 FKBBELITKNJLTG-JOCHJYFZSA-N 418.459 4.958 0 40 HJAB c1ccc(Oc2ccc(Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cc2)cc1 4331142 UUGOZAXDZJFKLO-UHFFFAOYSA-N 402.502 4.608 0 40 HJAB COc1ccc(-c2c(C)c3ccc(OC(=O)c4ccco4)cc3oc2=O)cc1OC 4340153 FPPYWTWPAVYHDN-UHFFFAOYSA-N 406.390 4.598 0 40 HJAB biogenic COC(=O)CC[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@@]21C 4429667 ZHUOOEGSSFNTNP-JMKDMENQSA-N 406.607 4.566 0 40 HJAB in-vitro Cc1ccccc1CN1C(=O)N(c2cccc(Cl)c2)S(=O)(=O)c2ccccc21 4484263 UIYVWPBDJRBGKN-UHFFFAOYSA-N 412.898 4.984 0 40 HJAB COc1ccc(NC(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)cc1 4659860 PUPQIHBOMJYDSR-UHFFFAOYSA-N 410.857 4.618 0 40 HJAB CC1CCN(CCCNC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1 4971400 CEPFIHRAIBSKMD-UHFFFAOYSA-N 413.562 4.742 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(NC(=O)CCc3ccccc3)ccc2C)c(C)c1 5062466 LXWCGMJEDZSMNG-UHFFFAOYSA-N 422.550 4.984 0 40 HJAB CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3C2CCCC2)cc1 5825206 YZXOXKVLWKNFRY-LJQANCHMSA-N 401.532 4.657 0 40 HJAB Cc1nnc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)n1-c1ccccc1 6109164 FFYIWRRVJKCMND-OAHLLOKOSA-N 410.568 4.585 0 40 HJAB Cc1cc(C)c(NC(=O)COc2ncnc3sc4c(c23)CCCC4)c(Cl)c1 6201419 BPGYOGWMJIAXSC-UHFFFAOYSA-N 401.919 4.858 0 40 HJAB CCCCOc1ccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 6397715 HAZLEKOXGLKDKV-UHFFFAOYSA-N 414.461 4.918 0 40 HJAB Cc1cccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1C 6860720 YSSVICRMEMZLRK-UHFFFAOYSA-N 406.873 4.708 0 40 HJAB O=C(CSc1nnc(Nc2cccc(F)c2)s1)N[C@H]1CCCc2ccccc21 7577065 MOSKVZWAOMYSDW-KRWDZBQOSA-N 414.531 4.707 0 40 HJAB Cc1cc(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c(C)n1-c1nccs1 7646427 PQIJDEZVEHYNEY-UHFFFAOYSA-N 410.829 4.522 0 40 HJAB CCc1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 8071638 DESGNAPPXIIECR-UHFFFAOYSA-N 414.299 4.967 0 40 HJAB COc1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c(OC)c1 8072121 DXIUPXQRKRAFBU-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1cccc2ccccc12 8152443 VUAJTBJJMGUXKN-UHFFFAOYSA-N 416.308 4.656 0 40 HJAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1C 8686487 KSXPPEJYYGJRFE-NRFANRHFSA-N 421.566 4.523 0 40 HJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810821 MGMDCPZFYSGKSK-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)Cc3cccc(Cl)c3)ccc21 8840988 ODXYHNWQZPKXPA-UHFFFAOYSA-N 420.962 4.607 0 40 HJAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)no1 9868788 UKTVLMKFSWOUEK-OAHLLOKOSA-N 417.494 4.621 0 40 HJAB Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3ccccc3-c3ccccc3)c(=O)c12 10166777 FUQNWRHKYOZVEW-UHFFFAOYSA-N 420.472 4.942 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10336334 FIRPEVNMDDNGTK-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB COc1ccc2nc(-c3ccc(F)c(NC(=O)c4ccc5ccccc5c4)c3)cn2n1 11693549 VMULCFJQBVSRSW-UHFFFAOYSA-N 412.424 4.950 0 40 HJAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CC1 12585406 MCESUVAYROCAAY-UHFFFAOYSA-N 418.824 4.508 0 40 HJAB O=C(NCCC1=CCCCC1)c1ccccc1SCc1nnnn1-c1ccccc1 12810859 NCCBHECJORCYDJ-UHFFFAOYSA-N 419.554 4.575 0 40 HJAB CCOc1ccc2oc(C(=O)N(CC)CC(=O)Nc3c(F)cccc3F)c(C)c2c1 13005132 JAESJXJHFOVZGH-UHFFFAOYSA-N 416.424 4.519 0 40 HJAB C[C@H]1CCc2c(sc3nc(CCN4CC=C(c5ccccc5)CC4)nc(N)c23)C1 14070231 JLBWSEPMVYXQAN-INIZCTEOSA-N 404.583 4.730 0 40 HJAB O=C(NC[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(F)cc2)C1)Nc1ccc(F)cc1 16428376 HRJQDDLRIBCMJZ-IYBDPMFKSA-N 416.472 4.714 0 40 HJAB COC(=O)NC(=O)c1c(NC(=O)c2cccc(Oc3ccccc3)c2)sc(C)c1C 16689833 MVROWXMPQTXCMP-UHFFFAOYSA-N 424.478 4.906 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2nc(C)cc(N(C)C)n2)cc1 17013236 JHHHSGYKBKIUBG-UHFFFAOYSA-N 411.893 4.509 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(Br)cc1F 17089698 QGYLMXVLPNIHEK-FPYGCLRLSA-N 413.699 4.768 0 40 HJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(I)c(C)n2)cc1 17093777 BBEDTDCYGLLGLQ-GFCCVEGCSA-N 424.282 4.526 0 40 HJAB CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2cccc(-c3cccc(F)c3)c2)CC1 19020576 OFTAUEYQPWSECK-SANMLTNESA-N 417.528 4.977 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccncc2)C1 19449631 WEUOTDIIIKOIMM-RUZDIDTESA-N 419.594 4.770 0 40 HJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc(C)c4)cc3n2)cc1 20611244 JGLBYSRIUVHXGY-UHFFFAOYSA-N 400.482 4.617 0 40 HJAB COc1ccccc1CNc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 22072921 PTSALJDFWFGBBE-UHFFFAOYSA-N 417.387 4.853 0 40 HJAB Cc1ccc(C)c(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1 22273955 QSJUAWAYLHJQCG-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB COc1cc2ccccc2cc1C(=O)OCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 25054957 GVRZFLFHCJRJLH-KRWDZBQOSA-N 417.505 4.761 0 40 HJAB Cc1ccc([C@](O)(CCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)C(F)(F)F)o1 31570834 YHUOYXWXVFWCDG-SJKOYZFVSA-N 421.868 4.678 0 40 HJAB CCOc1ccc(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4ccc(F)cc4)nn32)cc1 32087711 SFDQSMOXWCPKJI-GOSISDBHSA-N 408.433 4.568 0 40 HJAB Cn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)nc2sccc2c1=O 32325120 PAXWKQOFHPHUJY-UHFFFAOYSA-N 419.984 4.988 0 40 HJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc(Br)s1 32753510 CQEAHTVIRVAXCF-UHFFFAOYSA-N 400.248 4.528 0 40 HJAB COc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2c(C)cc(C(C)(C)C)cc2C)cc1 32796802 RXYJWHXQYBXYSN-KRWDZBQOSA-N 417.571 4.552 0 40 HJAB CN(C)c1ccc(NC(=O)c2ccc(Br)cc2F)c(C(F)(F)F)c1 32832487 RFUYSRBGILYHAJ-UHFFFAOYSA-N 405.189 4.925 0 40 HJAB CCCCCN(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)C(C)C 32935417 KGRUGMWEOPNPDK-UHFFFAOYSA-N 421.585 4.621 0 40 HJAB CC[C@@H](NC(=O)NCc1ccc(NC(=O)C2CC2)cc1)C12CC3CC(CC(C3)C1)C2 32936980 NCARIYHEMFSQCS-VBSWXYJSSA-N 409.574 4.829 0 40 HJAB COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(F)cc2)OC3=O)c(OC)c1 33026914 MOKOFXKYCSWQRH-NRFANRHFSA-N 421.424 4.549 0 40 HJAB CC[C@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc(OC)cc1 38773017 DIAAZQHZLMLGQU-SFHVURJKSA-N 406.320 4.721 0 40 HJAB O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N[C@@H](C(=O)O)c1ccccc1 40287644 QAJQMMIDQFYUFX-QGZVFWFLSA-N 421.305 4.602 0 40 HJAB CC(C)Oc1ccc(CNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 44932217 BIUFNYFGRUDBOP-UHFFFAOYSA-N 400.950 4.656 0 40 HJAB O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cc(C2CC2)nn1-c1ccccc1 57369223 CUPLLFARPWPVOR-HXUWFJFHSA-N 417.509 4.950 0 40 HJAB CCC(CC)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(NC)nc(C2CC2)n1 57775162 FCANHZVZXUANOQ-HXUWFJFHSA-N 405.546 4.713 0 40 HJAB CC1=C2C[C@@H]3[C@@H](CN4CCN(c5cccc(C)c5)[C@H](C)C4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 59415247 LIJUVLVUENDGRW-NZBCCDEDSA-N 422.613 4.964 0 40 HJAB biogenic CCN1c2ccccc2-c2nc(SCc3ccccc3Cl)ncc2S1(=O)=O 67260066 PHYJLJUEPBWJJA-UHFFFAOYSA-N 417.943 4.618 0 40 HJAB COC(=O)/C(=C\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 67340440 FWBVAAMSRZXYQI-QGOAFFKASA-N 407.919 4.538 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c23)cc1 71328115 AYYRDXAMMHVVDW-UHFFFAOYSA-N 402.479 4.558 0 40 HJAB COc1ccc(-c2c[nH]c3c(SCC(=O)Nc4c(C)cccc4C)ncnc23)cc1 71328151 DRZGZCQFYJYVRB-UHFFFAOYSA-N 418.522 4.981 0 40 HJAB O=c1ccc(-c2nc(-c3ccsc3)no2)cn1Cc1ccccc1C(F)(F)F 77200452 BIQOKQZQKWMBSJ-UHFFFAOYSA-N 403.385 4.694 0 40 HJAB COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)c(OC)c1OC 85411791 HPCDSDQQEGQFHM-LJQANCHMSA-N 417.531 4.594 0 40 HJAB Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCc1ccc(-n2ccnc2)cc1 95377665 AFKHLPYORJDUJL-UHFFFAOYSA-N 414.943 4.949 0 40 HJAB C[C@H](NC(=O)N1CCc2cccnc2[C@H]1c1ccc(C(F)(F)F)cc1)C(F)(F)F 169311928 DDBWYSSPWMXBIY-MEDUHNTESA-N 417.353 4.708 0 40 HJAB COC(=O)c1cn(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c2ccccc12 222571180 CPNLXXVNHJHMMK-UHFFFAOYSA-N 424.500 4.675 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1ccco1 222910424 FRMZVNFODQETHI-YADHBBJMSA-N 408.571 4.770 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 224037920 ZEOJAAXVIWJOAR-OAHLLOKOSA-N 421.368 4.868 0 40 HJAB Cc1cccc(CN(C(=O)CCc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 224169942 BXHIFIZQQYAGSU-IBGZPJMESA-N 414.977 4.771 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 224397304 SGSRRWOBUCCKLY-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 224702876 ULRUMEXOAVXDLQ-QFIPXVFZSA-N 414.977 4.771 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1C1CCCC1 225025246 NDIBJCNWMCINAV-SFTDATJTSA-N 423.973 4.836 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 225542835 PKQATZMMDNTJFN-XUZZJYLKSA-N 408.586 4.958 0 40 HJAB Cc1ccc(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)c(C)c1 225818445 WGLHRTJKYRVCEQ-UHFFFAOYSA-N 400.276 4.687 0 40 HJAB COc1ccc(N(C)C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 225907630 AHBJVOWWYUBYJZ-INIZCTEOSA-N 407.341 4.877 0 40 HJAB COc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccccc2F)o1 227147543 SJROCDIIPVAGMT-UHFFFAOYSA-N 405.223 4.691 0 40 HJAB NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncnc2scc(-c3ccc(Cl)cc3)c12 245225008 KHMRTKOBQZNUBE-XYPHTWIQSA-N 412.946 4.635 0 40 HJAB CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(CC2CCCCC2)CC1 257243188 IFVJBTSWQZNVRM-UHFFFAOYSA-N 405.586 4.700 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408668294 DNEHCAZKSGYQJB-SEIRJHJZSA-N 416.521 4.599 0 40 HJAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3)C2=O)c1 409362452 UWTAHHFKIFRXNB-LICLKQGHSA-N 400.887 4.632 0 40 HJAB Fc1ccc(CN2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1C(F)(F)F 519564331 CCHLYVMQSDPSPW-QGZVFWFLSA-N 413.415 4.849 0 40 HJAB COc1ccc([C@H](NC(=O)NCCc2c[nH]c3ccc(F)cc23)C(C)C)cc1OC 604418869 OLZRNKZWIOFYRI-JOCHJYFZSA-N 413.493 4.563 0 40 HJAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 2037845656 FWGOPJMNNWUHTF-GOSISDBHSA-N 403.457 4.906 0 40 HJAB Cc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 666007 NOZNHUHXVJBUSJ-LJQANCHMSA-N 422.550 4.606 0 40 HJAB COc1cc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c(OC)cc1Cl 751777 NFAGSQBYFGAWAE-UHFFFAOYSA-N 406.269 4.757 0 40 HJAB Cc1ccc(O)c(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@H]3C(F)(F)F)c1 866501 KCTYINFBWPAEHI-BBRMVZONSA-N 422.432 4.871 0 40 HJAB CCOc1cc(NC(=O)C(C)C)c(OCC)cc1NC(=O)c1ccccc1OCC 919909 FDWKUSUTMAHTMP-UHFFFAOYSA-N 414.502 4.730 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(O)cc2)n2nc(-c3ccccc3)nc2N1 950570 DIBYQRWJGYVXNV-QFIPXVFZSA-N 423.476 4.578 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc3c(C)cc4cc(C)c(C)cc4n23)cc1 1223228 KCPVYNWKOCIHDY-UHFFFAOYSA-N 420.538 4.937 0 40 HJAB CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@H](C(C)C)OC3 1243983 ORLKWTHIYPOXIW-MRXNPFEDSA-N 400.569 4.716 0 40 HJAB COc1cc(C)c(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1OC 2646495 AIIQKEGTJUNLLH-OAQYLSRUSA-N 418.493 4.512 0 40 HJAB COc1ccccc1C(=O)NC(=S)Nc1nc2c(s1)CSc1ccccc1-2 3193938 BGXONNUORGTZBN-UHFFFAOYSA-N 413.549 4.551 0 40 HJAB CCOc1ccc2c(c1)SC1=N[C@@](c3ccc(OC)cc3)(C(F)(F)F)NC(=O)N12 3198164 AVPHZJNRVJFSMF-SFHVURJKSA-N 423.416 4.501 0 40 HJAB O=C(COC(=O)c1cc(Cl)nc(Cl)c1)Nc1ccccc1Oc1ccccc1 3245244 QQGUUFQYZRGORA-UHFFFAOYSA-N 417.248 4.976 0 40 HJAB COc1ccc(CN[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1OC 3250280 ZKAJPSHBSAIWRR-XMMPIXPASA-N 404.510 4.790 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 3515926 KUKKSOFMOHBMRQ-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(Cl)cc3)N2C1=O 3636733 TVNNFVWEXUFPDQ-RDJZCZTQSA-N 406.935 4.578 0 40 HJAB CCOC(=O)c1cc(-c2cccs2)[nH]c1N1CCN(c2cccc(Cl)c2)CC1 4052762 PCXDRTUZTDSNGB-UHFFFAOYSA-N 415.946 4.900 0 40 HJAB Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccccc1O)c1ccc(Cl)cc1 4592614 IKUKKMPLIJUADU-NRFANRHFSA-N 408.885 4.772 0 40 HJAB CSc1nnc([C@@H]2CCCN(C(=O)N(c3ccccc3)c3ccccc3)C2)n1C 5001409 XIZHUUDLIXVSNO-QGZVFWFLSA-N 407.543 4.675 0 40 HJAB CC(=O)c1ccc(S(=O)(=O)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1 5120126 MPGRETRNVTUGHZ-UHFFFAOYSA-N 414.866 4.541 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2F)N1Cc1ccco1 5178616 FOMSFYNLRWUPON-IBGZPJMESA-N 409.800 4.924 0 40 HJAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(Cl)c3Cl)n2)cc1 6154693 PYIBLZGXFKYQAK-UHFFFAOYSA-N 409.298 4.518 0 40 HJAB Cc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)oc2ccccc12 6287132 CZJXCFLKPTZHHD-UHFFFAOYSA-N 412.511 4.558 0 40 HJAB COc1ccc(C(=O)[C@@H](C)Sc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)cc1 6374644 DMMCGGNRJWMLFH-CHWSQXEVSA-N 402.447 4.721 0 40 HJAB Cc1cc(-n2c(C)cc(C(=O)CSc3nccn3Cc3ccccc3)c2C)no1 6650799 WPMLBHQXYSDOMZ-UHFFFAOYSA-N 406.511 4.610 0 40 HJAB CCOC(=O)c1oc2ccccc2c1NC(=O)COc1ccc(Cl)cc1Cl 7347622 OWUMVTVBKVPBRO-UHFFFAOYSA-N 408.237 4.934 0 40 HJAB CCN1CCN(c2ccc(NC(=O)COc3ccccc3-c3ccccc3)cc2)CC1 8390651 RUXLRMCQVDZMID-UHFFFAOYSA-N 415.537 4.513 0 40 HJAB CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1 9403982 GGNTXODNGPUYST-UHFFFAOYSA-N 423.519 4.670 0 40 HJAB COC(=O)c1ccc(C(=O)Nc2nc3ccc4nc(SC)sc4c3s2)cc1 9404752 NBKAMSFEVSGBBB-UHFFFAOYSA-N 415.521 4.667 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2F)ccc1C 9668815 LQUJFCAYJJGFHQ-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB O=C(O)C[C@@H](O)C[C@@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 11616583 VGYFMXBACGZSIL-JUFISIKESA-N 421.468 4.518 0 40 HJAB investigational O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1ccccc1F 12105353 ADNKPIUDIRXFRC-UHFFFAOYSA-N 418.497 4.728 0 40 HJAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 12374537 RRJKQJXQGDTJIF-VIFPVBQESA-N 401.652 4.778 0 40 HJAB COc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 16323107 ASOGCWRUDAUVAD-UHFFFAOYSA-N 421.360 4.882 0 40 HJAB CCCn1c(=O)n(CCC(=O)N(c2ccccc2)c2nc(C)cs2)c2ccccc21 16699733 WHDXKQYWJXMZIY-UHFFFAOYSA-N 420.538 4.733 0 40 HJAB Cc1ccc(C(=O)N2CCC[C@H]2c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)cn1 19214873 YWKHNBAEUVTUHK-KRWDZBQOSA-N 417.435 4.552 0 40 HJAB Cc1nc([C@H]2CCCCN2Cc2ccccn2)ncc1C(=O)Nc1ccc(Cl)cc1 19753751 IAIRICITYLPSCZ-OAQYLSRUSA-N 421.932 4.813 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 20195578 BDWFFVJVNZFBLG-UHFFFAOYSA-N 421.309 4.712 0 40 HJAB C[C@@H](N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1nc2ccccc2c(=O)[nH]1 23908320 BKTBVAMVIJFEDD-QVKFZJNVSA-N 421.447 4.965 0 40 HJAB Cc1nc2cc(NC(=O)CSc3nncn3-c3ccc(C(C)C)cc3)ccc2o1 26390567 SQXKLZIKAFXYHL-UHFFFAOYSA-N 407.499 4.571 0 40 HJAB Cc1cccc(CSc2nnc(Nc3cc(C)cc(C)c3)c(=O)n2-n2cccc2)c1 28535107 XLVLIVDJQKEEKZ-UHFFFAOYSA-N 417.538 4.712 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccc(-c2ccc(F)cc2)o1 29674248 NTYWMXVIHOWMSZ-JOCHJYFZSA-N 404.441 4.666 0 40 HJAB O=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1cccc2ccccc12 35598089 ZFSMUXITDZCSTP-UHFFFAOYSA-N 406.449 4.811 0 40 HJAB COc1ccccc1Oc1ccc(NC(=O)NC[C@H](c2cccs2)N(C)C)cc1 40104322 MKBSNNXMNDXJAJ-GOSISDBHSA-N 411.527 4.973 0 40 HJAB CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)CC1 40717691 YXTFONNMFUAVRG-VGOFMYFVSA-N 405.542 4.521 0 40 HJAB Oc1c([C@@H](Nc2ccc(Br)cn2)c2ccccn2)ccc2cccnc12 46085480 SFVKJGUGTSSULC-LJQANCHMSA-N 407.271 4.694 0 40 HJAB O=C(Nc1ccccc1Br)c1cc(-c2ccc(Br)cc2)[nH]n1 57477014 CZSWLNWIPXDZJV-UHFFFAOYSA-N 421.092 4.854 0 40 HJAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(I)cc2)ccc1Cl 64982283 DGBMPYBNHNKXNJ-LLVKDONJSA-N 415.658 4.659 0 40 HJAB CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2C(C)C)nc2cc(C)[nH]c2c1=O 67239206 PNNSVTIRAWMZRS-OAHLLOKOSA-N 412.559 4.858 0 40 HJAB O=C(NCC1CCN(c2nc3ccccc3o2)CC1)Nc1cccc(C(F)(F)F)c1 70932516 IAJYHSZOEAELKW-UHFFFAOYSA-N 418.419 4.885 0 40 HJAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2ccc(C)o2)cc1 85876616 MZWXYPTZWUBPFG-OAHLLOKOSA-N 418.401 4.517 0 40 HJAB biogenic COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1F 96098386 ZAHZSBFYFKPXNN-UHFFFAOYSA-N 404.441 4.680 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=S)N[C@H]1C[C@H]3CC[C@H]1C3)CC2 104746417 GPEXRCSPJVLGIB-JAKCGFMDSA-N 422.594 4.714 0 40 HJAB O=C(Cc1cccc2ccccc12)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207014493 YRYSPKRGYMPSCY-QGZVFWFLSA-N 417.534 4.975 0 40 HJAB O=C(Cc1ccc(F)cc1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C12CCCCC2 222015145 JCJRDRMQBOUQLG-UPVQGACJSA-N 406.545 4.662 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 223084041 VCBNKAXLNUWANW-RBUKOAKNSA-N 414.977 4.831 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 223258357 WXSZLVMWHZIYMC-JOCHJYFZSA-N 424.585 4.713 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCOc1ccccc1C(C)(C)C 223719777 QPQBRDWUAMPHPM-HNNXBMFYSA-N 420.347 4.709 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 224583340 RZCRQHWWPHSBQU-QHCPKHFHSA-N 424.585 4.570 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 225584950 WAOURDILXLJVAN-XMSQKQJNSA-N 414.977 4.913 0 40 HJAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)NCc1ccc(Cl)cc1Cl 225807664 PWMBHRHTJMMDGM-UHFFFAOYSA-N 410.688 4.946 0 40 HJAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 408615110 LWFPYEFYGQGWQY-UHFFFAOYSA-N 423.310 4.940 0 40 HJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)CC1=O 408645352 URNWFACEHXACOZ-MRXNPFEDSA-N 404.432 4.822 0 40 HJAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2OC)cc1 408674728 BQGXDZOBKMXDKZ-UHFFFAOYSA-N 414.461 4.835 0 40 HJAB O=C(O)[C@H]1CS[C@H](c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)N1 408809091 HUWDGEXYQUYVBT-SJLPKXTDSA-N 407.322 4.785 0 40 HJAB O=C(Cc1ccccc1)Oc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2)OC1=O 408841886 HBYSOBAVSDIAOK-HMMYKYKNSA-N 417.848 4.833 0 40 HJAB O=C(O)Cn1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 409130891 OBQNJAXSLHZFLQ-IUXPMGMMSA-N 412.854 4.620 0 40 HJAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)o1 409162504 FPSVKMDFVHAIKJ-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB Cc1cc(C)n([C@H](CNC(=O)C2c3ccccc3Oc3ccccc32)c2ccco2)n1 575613171 FNXFNBJLASGZOT-HXUWFJFHSA-N 413.477 4.736 0 40 HJAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@H]3CC[C@@H](c4cccc(F)c4)C3)C2)c1 1543873326 ZCLKWMGTEYJUOY-DPLHUUCSSA-N 422.544 4.747 0 40 HJAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1C 655258 FCJZGOBNJMQPJC-SFHVURJKSA-N 404.297 4.911 0 40 HJAB COc1ccccc1NC(=O)/C(=C/c1ccccc1Cl)NC(=O)c1ccccc1 704105 BGEWCJWUQGUFCJ-HKWRFOASSA-N 406.869 4.758 0 40 HJAB O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)Nc1cccc2ccccc12 959597 AGEINARULGPJKM-UHFFFAOYSA-N 410.473 4.787 0 40 HJAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C1=O 981749 UQSBLKZXCVCSQL-UJFYRASASA-N 405.859 4.506 0 40 HJAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccc2ccccc12 1410973 DDLSTQPGVBWCFJ-UHFFFAOYSA-N 416.502 4.674 0 40 HJAB Cc1ccc(N2CCN(C(=O)c3cc(-c4ccncc4)nc4ccccc34)C[C@H]2C)cc1 1460373 KXBBWZMGUFDYFH-HXUWFJFHSA-N 422.532 4.956 0 40 HJAB C[C@@H](NC(=O)CCCCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 2309624 DVINHIDZHWXMON-LJQANCHMSA-N 406.526 4.891 0 40 HJAB COC(=O)Cc1c(C)c2cc(Cl)c(OCc3cc(C)cc(C)c3)cc2oc1=O 2372385 ZJZHCAXIBSGVAB-UHFFFAOYSA-N 400.858 4.666 0 40 HJAB FC(F)(F)c1cnc(SCc2nnc(S)n2-c2ccccc2)c(Cl)c1 2562125 JTMCAQBQZJFTSL-UHFFFAOYSA-N 402.854 4.916 0 40 HJAB COc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 2652598 VZINCOXFZPKYCT-JOCHJYFZSA-N 413.521 4.804 0 40 HJAB CC[C@@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(F)cc1 2706382 BWLJULQKPXUEKR-CQSZACIVSA-N 403.552 4.996 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)NCCC3=CCCCC3)s2)c(C)c1 3274672 AKYOKLRXJUMAFD-UHFFFAOYSA-N 402.589 4.997 0 40 HJAB CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc(Br)cc2F)CC1 3276146 ISZIWENWNWPDQQ-UHFFFAOYSA-N 414.315 4.922 0 40 HJAB O=C(CSc1nncn1-c1ccccc1)Nc1cccc(Oc2ccccc2)c1 3415509 RLGXGUFVHIJNHN-UHFFFAOYSA-N 402.479 4.790 0 40 HJAB CCOc1ccccc1S(=O)(=O)Nc1cccc(-c2nc3cccnc3s2)c1 4200729 WUCOUSNBWJTREE-UHFFFAOYSA-N 411.508 4.558 0 40 HJAB Cc1ccc(Cl)cc1-n1ncc2c(NCCc3c[nH]c4ccccc34)ncnc21 4354842 NPQXYCMEFDOYHU-UHFFFAOYSA-N 402.889 4.913 0 40 HJAB CN(C)P(=O)(Oc1ccccc1C(O)(c1ccccc1)c1ccccc1)N(C)C 4667917 YYLUFBWPCLDREZ-UHFFFAOYSA-N 410.454 4.581 0 40 HJAB COc1ccc(C(C)=O)cc1CSc1nnc([C@@H](C)Oc2ccccc2F)o1 4937909 WJVYWGGDYSZLLF-CYBMUJFWSA-N 402.447 4.852 0 40 HJAB Cc1cc(C)c(NC(=O)[C@@H](C)n2nnc3sc(-c4ccccc4)cc3c2=O)c(C)c1 5183271 BHGNXRQAHSEIBG-MRXNPFEDSA-N 418.522 4.645 0 40 HJAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1C 5478118 GWUCKQQAIKZPPT-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2cc(C(C)C)ccc2C)sc2c1CCC2 5860407 MBWXZEVNNNUEEL-UHFFFAOYSA-N 401.528 4.863 0 40 HJAB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccccc1 6587672 GIPYIHBFJHDVSM-ZNRPDEDHSA-N 404.510 4.876 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)CCC4)n2C(C)C)cc1 6790296 GOMIDPPBEBDLIX-UHFFFAOYSA-N 422.554 4.754 0 40 HJAB Cc1nc2ccc(NC(=O)c3cccc(N4C(=O)c5ccccc5C4=O)c3)cc2s1 7141405 SGDJHRXKRWDTTJ-UHFFFAOYSA-N 413.458 4.658 0 40 HJAB CC[C@H](C)c1ccc([C@H](NCC(=O)Nc2cccc(S(C)(=O)=O)c2)C(C)C)cc1 7719275 HZBVQZPKTZWPLD-GAJHUEQPSA-N 416.587 4.529 0 40 HJAB O=C(COC(=O)c1cc(Cl)ccc1O)Nc1ccc(Cl)cc1C(F)(F)F 7735664 LGFMAFXRQWASNS-UHFFFAOYSA-N 408.159 4.513 0 40 HJAB COc1ccc(NC(=O)CNc2ccccc2CN(C)C2CCCCC2)c(OC)c1 7977088 HMDJOAWPXKKPQK-UHFFFAOYSA-N 411.546 4.519 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 9136319 CPIKGUIXNXWQCT-UHFFFAOYSA-N 400.478 4.817 0 40 HJAB CCc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 9307937 XIDKDYZCAJEFTR-UHFFFAOYSA-N 423.929 4.762 0 40 HJAB O=c1[nH]c(SC[C@@H]2COc3ccccc3O2)nc2scc(-c3cccs3)c12 9389008 VGBJDHSMMVATBV-NSHDSACASA-N 414.533 4.645 0 40 HJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc4c(c3)OCCO4)c2n1 9613530 ZBIHGHOYCABIHC-UHFFFAOYSA-N 419.264 4.639 0 40 HJAB CCCOc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)cc2C)cc1 12062632 IJNTWVBRJNJONK-UHFFFAOYSA-N 401.850 4.505 0 40 HJAB Cc1ccc2c(COC(=O)CSc3ccc(Br)cc3)cc(=O)oc2c1 12566718 QFWHWIQNHDEGHB-UHFFFAOYSA-N 419.296 4.699 0 40 HJAB CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1cccc(NC(=O)C2CC2)c1 12752243 HJNVOSVUTARKPX-UHFFFAOYSA-N 406.313 4.684 0 40 HJAB O=C(CN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)Nc1ccc(F)c(F)c1 12780762 KHHALGVCADTKEB-QHCPKHFHSA-N 419.431 4.598 0 40 HJAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)C1 13534217 JHHYNSRRIQGYKY-KRKHLAAJSA-N 402.538 4.885 0 40 HJAB CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716536 LUUYDDRUAAWMKY-OAQYLSRUSA-N 402.560 4.610 0 40 HJAB O=C(c1ccco1)N1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c23)CC1 14250088 YROOKPNVNKKHPR-UHFFFAOYSA-N 422.485 4.807 0 40 HJAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 16969511 PNTBULZSIVWSCY-UHFFFAOYSA-N 401.871 4.545 0 40 HJAB Cc1cc(NC(=O)COc2ccccc2Cl)c(C)cc1I 17090405 XGDFKESRMDAVHW-UHFFFAOYSA-N 415.658 4.579 0 40 HJAB CC(C)C[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 18059848 FNBXZQRPOLLYGF-QYZOEREBSA-N 419.308 4.718 0 40 HJAB Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)s1 19560409 UCMYPSZVRATPLC-CYBMUJFWSA-N 422.476 4.604 0 40 HJAB CCc1c(C(=O)Nc2ccc(C(=O)c3ccc(C)cc3)cc2)cnn1-c1ccccn1 19910866 MDXKIQCOZUCEHT-UHFFFAOYSA-N 410.477 4.621 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1cccc(Cl)c1C 20061768 IYKTUPATUOFENV-UHFFFAOYSA-N 420.962 4.630 0 40 HJAB COc1ccc(C(=O)O)cc1NCc1ccc(OCCc2ccccc2)c(OC)c1 20879577 GQKSXKLWLNAIRS-UHFFFAOYSA-N 407.466 4.636 0 40 HJAB CCc1ccc(O[C@H](C)C(=O)NCCc2csc(-c3ccc(OC)cc3)n2)cc1 27994943 XRCWONTYNOQUMS-MRXNPFEDSA-N 410.539 4.507 0 40 HJAB Cc1nc2ccc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)cc2nc1C 32740853 IKVVZZVVXYEPRF-UHFFFAOYSA-N 403.482 4.560 0 40 HJAB Cc1ccc(CNC(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 40138957 XBVDGHGOTIRILX-QFIPXVFZSA-N 402.473 4.725 0 40 HJAB Cc1cc(C)c(-n2cccn2)c(CN(CCCn2ccnc2)Cc2ccccc2F)c1 43277856 BATDHCVGCCUCSN-UHFFFAOYSA-N 417.532 4.917 0 40 HJAB COc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1Cl 44837531 QEVIMQCSLLVZLI-UHFFFAOYSA-N 406.667 4.754 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(CN3CCC[C@H](C)C3)cc1)CC(C)(C)O2 44855570 RLBRFBLRJFYDAH-FDDCHVKYSA-N 422.569 4.959 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 58297975 JIXXECAYDBIUIV-INIZCTEOSA-N 420.900 4.820 0 40 HJAB O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccccc2F)C1)C1CCCC1 72341419 XNKYNBCQZVBIDK-QUCCMNQESA-N 401.551 4.542 0 40 HJAB O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C1CCCC1 72341431 UXJCZIUQOCKKTN-XLIONFOSSA-N 419.541 4.681 0 40 HJAB COc1cccc(Cc2cccc([C@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)c1 72349020 JGJNLCFQFMGRHL-QFIPXVFZSA-N 400.522 4.630 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(Cc4cccc(F)c4)n3)C2)cc1 72349580 WREOLNKJABCJLR-OAQYLSRUSA-N 418.512 4.769 0 40 HJAB COc1ccccc1OCCc1cc([C@@H]2CCN(C/C(C)=C/c3ccccc3)C2)n[nH]1 72371558 CTKUNJVSUCVAOV-QMZMWQIVSA-N 417.553 4.933 0 40 HJAB O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1cnc(-c2ccccc2)nc1 84564858 ISFRNIYTSKATNJ-UHFFFAOYSA-N 409.371 4.600 0 40 HJAB COc1ccc(CCn2c(C)c(C(C)=O)s/c2=N/c2ccc(C)cc2)cc1OC 100133826 LHBDCUMRTZPLHT-WCWDXBQESA-N 410.539 4.861 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)Cc3ccccc3F)CC2)on1 100743620 VKGACSSYJFUHAZ-HDICACEKSA-N 422.504 4.520 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219323026 AXXWXAWZMWQRRH-INIZCTEOSA-N 420.296 4.859 0 40 HJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)cn3)N21 222710501 CPDXFKXKNFYYKO-CWFSZBLJSA-N 409.946 4.900 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 223639991 UTBKOCGSEVKYKF-DEOSSOPVSA-N 424.585 4.714 0 40 HJAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(Sc2ncccn2)nc1 223912097 JPPCDTGPHKPHSV-UHFFFAOYSA-N 419.535 4.769 0 40 HJAB CCN(c1ccc(C(=O)NC2CCCCCCC2)cc1)S(=O)(=O)c1ccccc1 224365121 PJPIVYVLGALAFX-UHFFFAOYSA-N 414.571 4.745 0 40 HJAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1C 225147842 GFGONCUOOKXWHP-VXKWHMMOSA-N 420.538 4.817 0 40 HJAB C[C@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225963516 NZRKTHNEIRDGHJ-UONOGXRCSA-N 423.508 4.922 0 40 HJAB COc1ccc(CN(C)CC[C@]2(c3ccccc3)C[C@H](C)N(C)C[C@@H]2C)cc1OC 252461934 OJEZOEWJJBKOBO-WOVHNISZSA-N 410.602 4.824 0 40 HJAB biogenic Cc1nccn1Cc1cccc(C(=O)N2CCC[C@@H]2c2ccnc(-c3ccccc3)n2)c1 257261389 LHCBPTHMRIBIQJ-XMMPIXPASA-N 423.520 4.674 0 40 HJAB O=C(/C=C/c1ccccc1)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C12CCCCC2 257302618 SDOKZHSLGWDMED-LJAHQNNKSA-N 400.566 4.993 0 40 HJAB Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(F)cc2)cc1Cl 408692871 XHODKYKOKLUJOF-UHFFFAOYSA-N 420.875 4.965 0 40 HJAB CCOC(=O)N[C@@H](CC(=O)Nc1ccc(Br)cc1C)c1ccccc1 408978065 GWYUHZSDIDDDQW-KRWDZBQOSA-N 405.292 4.574 0 40 HJAB Cc1ccc([C@@H](NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)c2ccccn2)cc1 685841305 VMLNOMLPYJLUAV-WMZHIEFXSA-N 405.929 4.776 0 40 HJAB O=C(NCCc1ccc(-c2cccs2)s1)C(=O)Nc1cccc(C(F)(F)F)c1 1889291911 HWUUBZZXIXFOMP-UHFFFAOYSA-N 424.469 4.793 0 40 HJAB COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@@H](C(=O)OC)[C@@H]1c1ccc(F)cc1 626782 NBRAHZGCBSZXDC-RTWAWAEBSA-N 409.457 4.506 0 40 HJAB Clc1ccc(-n2nnnc2-c2cnc(-c3ccncc3)nc2-c2cccs2)cc1 721460 BQVHJQPCNMOJBF-UHFFFAOYSA-N 417.885 4.563 0 40 HJAB CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccccc4)n12)CCCC3 794121 WFGYLLNMYNSPQI-UHFFFAOYSA-N 408.552 4.755 0 40 HJAB O=C(CSc1nnc(COc2cccc3ccccc23)o1)c1cc(F)ccc1O 888796 NVHGQDAWDPKMDK-UHFFFAOYSA-N 410.426 4.622 0 40 HJAB Cn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)c1ccccc1 1340080 XGGUGBDPKPNNFT-UHFFFAOYSA-N 421.551 4.526 0 40 HJAB Cc1ccc2c(Br)cc(Br)c(OC(=O)N3CCCC3)c2n1 1424319 OQJCYZUKVGVFKI-UHFFFAOYSA-N 414.097 4.663 0 40 HJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NCc1ccco1 1438116 LRBRUTAFIJYVDZ-UHFFFAOYSA-N 424.913 4.589 0 40 HJAB Cc1cc(NCCN(C(C)C)C(C)C)nc(Nc2nc3ccc(Cl)cc3[nH]2)n1 1706644 PJFKBDIVMUNLGV-UHFFFAOYSA-N 401.946 4.589 0 40 HJAB COc1cccc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 2389063 SOJXDPVBOJLSIA-HSZRJFAPSA-N 417.461 4.750 0 40 HJAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1c(-c2ccccc2)noc1C 2764830 HWSRKUCDAGHDOT-UHFFFAOYSA-N 404.445 4.903 0 40 HJAB O=C1[C@H](Cc2ccccc2)N=C2c3ccccc3N=C(SCc3cccc(F)c3)N12 2964387 RNBPUNYQRUUBLR-NRFANRHFSA-N 415.493 4.960 0 40 HJAB CCOc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1 3012999 IAFZDGIFIHPFSK-DOTOQJQBSA-N 420.391 4.787 0 40 HJAB Cc1cc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)n(-c2ccccc2)n1 3226312 ZIMVWBHSXNRJJJ-UHFFFAOYSA-N 401.466 4.823 0 40 HJAB Cc1noc(C)c1CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 3352873 PUQVYGNIAGOMSM-FQEVSTJZSA-N 420.494 4.677 0 40 HJAB O=C(Nc1nnc(COc2ccc(Br)cc2)s1)c1ccccc1Cl 4150925 PPOXMQVLXPOZFH-UHFFFAOYSA-N 424.707 4.785 0 40 HJAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(CCc1ccccc1)C(=O)c1ccco1 4240751 INYAEQQDWQIVJW-DEOSSOPVSA-N 416.521 4.765 0 40 HJAB CC(C)c1ccc(Nc2nnc(S[C@H](C)C(=O)NCc3ccco3)s2)cc1 4835683 PYRGXVVVHDREAZ-CYBMUJFWSA-N 402.545 4.795 0 40 HJAB C[C@@H]1CCCN(C(=O)CSc2nc(COc3ccccc3)nc3ccccc23)C1 4936841 JSCPGCSBTKKYBS-QGZVFWFLSA-N 407.539 4.559 0 40 HJAB Cc1cc(C)cc(NC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)c1 5305504 JSBGDJROUDZLMI-UHFFFAOYSA-N 417.896 4.967 0 40 HJAB CC(=O)c1ccc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)cc1 5654190 DDGZFLWQFFPBOV-SFHVURJKSA-N 410.520 4.769 0 40 HJAB CSCC[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 6578979 WAEYWHRYYLYFOM-NRFANRHFSA-N 406.555 4.978 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1 6613610 WOOHILHHAVUZQU-UHFFFAOYSA-N 417.490 4.944 0 40 HJAB Cc1ccc(COc2c(Br)cc(C(=O)O)cc2Br)cc1 7603892 WHPHQQMKKKYNJQ-UHFFFAOYSA-N 400.066 4.797 0 40 HJAB CCc1nn2c(NCCc3ccc(OC)c(OC)c3)cc(C)nc2c1-c1ccccc1 7636234 BWTLVTYHAQFLLX-UHFFFAOYSA-N 416.525 4.939 0 40 HJAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 8470117 KQKPEGQOXAJVOS-RIYZIHGNSA-N 400.434 4.597 0 40 HJAB O=C1C[C@H](C(=O)N(c2ccccc2)c2nc3ccccc3s2)CN1Cc1ccco1 9256042 KFEMJJXMGGMQOC-INIZCTEOSA-N 417.490 4.603 0 40 HJAB Cc1ccc(N(Cc2ccc(C(=O)N(C)c3ccccc3)cc2)S(C)(=O)=O)cc1C 10286243 ZPLBKEVSROVDBP-UHFFFAOYSA-N 422.550 4.546 0 40 HJAB O=C(COc1cccc(Oc2ccccn2)c1)Nc1ccccc1OCC(F)(F)F 12527815 KDHKRBPRTBIKIR-UHFFFAOYSA-N 418.371 4.833 0 40 HJAB O=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2c[nH]c3ccccc23)cs1 12660314 IITJZTBDKJFMIT-UHFFFAOYSA-N 405.508 4.899 0 40 HJAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCCc1cccs1 12696868 JCMKAPFGVDXCOC-UHFFFAOYSA-N 403.507 4.582 0 40 HJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)c2ccccc2)cc1OC 12795274 KKYIHGKGHZCQGA-UHFFFAOYSA-N 413.477 4.833 0 40 HJAB O=C(Nc1cc2c(cc1[C@H](O)c1ccc(Cl)cc1)OCCO2)c1cccs1 12858489 RBUJZZFIGUATBJ-LJQANCHMSA-N 401.871 4.507 0 40 HJAB C[C@@H](NC(=O)CCSCCOc1ccc(Br)cc1)c1ccccc1 12913353 UYPHTKMEDRMIEX-OAHLLOKOSA-N 408.361 4.829 0 40 HJAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1nc(-c2ccccc2)no1 12975833 CLRXKSXRGSRXHO-UHFFFAOYSA-N 410.495 4.801 0 40 HJAB O=C(O)C[C@@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc(Cl)cc1 13265161 VEFMXTRPSDXTMK-HXUWFJFHSA-N 421.946 4.882 0 40 HJAB COc1c(F)c(F)cc2c(=O)c(C(=O)N[C@H](C)CCCC(C)C)cn(C3CC3)c12 13691268 OLEFIUIBBXJMAV-CYBMUJFWSA-N 406.473 4.568 0 40 HJAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716521 LLUCVLKJWBGPEB-OAQYLSRUSA-N 416.587 4.612 0 40 HJAB COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc3c(c2)OCO3)cc1OC 15107645 UBLCCRHNPYUROH-AWEZNQCLSA-N 409.463 4.635 0 40 HJAB CCOc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)ccc1OCC(C)C 16308036 VFTDKEORAPIJNI-FQEVSTJZSA-N 407.514 4.974 0 40 HJAB CC(=O)c1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc23)cc1 17245563 LJLQZASDHKCPSY-QGZVFWFLSA-N 417.509 4.691 0 40 HJAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 19400584 AHYXWHRDNZKYSF-SQJMNOBHSA-N 409.549 4.871 0 40 HJAB CCOc1ccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 19533251 ZMFCCOTVTNRFLK-OAQYLSRUSA-N 421.545 4.550 0 40 HJAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N(C)C)cc1 21805434 MYCZAGBQLHAQOQ-HSZRJFAPSA-N 403.526 4.562 0 40 HJAB C[C@@H](NC(=O)c1ccccc1I)c1ccc2c(c1)CCCC2 21934008 QNLFHUQRDLPFDZ-CYBMUJFWSA-N 405.279 4.661 0 40 HJAB CN1CCN(C(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)CC1 25355103 ANVDBFUJRZNQCZ-UHFFFAOYSA-N 407.517 4.956 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1C 25896826 JTYAATMYRGECRF-OAQYLSRUSA-N 408.523 4.658 0 40 HJAB C[C@H](c1nnc(Sc2ncnc3ccsc23)n1-c1ccc(Cl)cc1)N(C)C 29001761 VAYVJWOQDDWRJR-LLVKDONJSA-N 416.963 4.699 0 40 HJAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)N[C@@H](CC(C)C)C(=O)O 32070462 YHLREWITZYGTLB-LBPRGKRZSA-N 401.315 4.654 0 40 HJAB CC(=O)Nc1ccc(CNC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)cc1 32901582 XZSHHPPKJIAONV-UHFFFAOYSA-N 407.539 4.751 0 40 HJAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@@H](C)c1cc2ccccc2o1 32908180 QKPPPGYQTHQVAY-LBPRGKRZSA-N 409.511 4.581 0 40 HJAB CCc1cccc(C)c1-n1nnnc1C1(Nc2ccc(OC)c(OC)c2)CCCCC1 35622594 JLIPYSFBDFKWOQ-UHFFFAOYSA-N 421.545 4.822 0 40 HJAB CC(C)COc1ccc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1 49547578 TZQPWDIPBYEGCI-LJQANCHMSA-N 408.523 4.682 0 40 HJAB Cc1ccnc(-n2c(SCc3ncc(C(C)(C)C)o3)nc3ccccc3c2=O)c1 58024447 GBDCVUOZGMXFLI-UHFFFAOYSA-N 406.511 4.667 0 40 HJAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)NCc1ccco1 59489592 OHBOKVUMKDODTH-UHFFFAOYSA-N 423.519 4.550 0 40 HJAB Cc1cc(C)c(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)c(C)c1 71327874 YTQRGRUFASWGPX-UHFFFAOYSA-N 417.553 4.788 0 40 HJAB O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 72337771 AYRYYEHYEXSHNL-QAPCUYQASA-N 424.397 4.929 0 40 HJAB CC(C)CS(=O)(=O)CCC(=O)N(C)[C@H](c1csc2ccccc12)[C@@H]1C[C@H]1C 89922051 JHCZQUCWXFTZIO-CEQIKUNHSA-N 407.601 4.518 0 40 HJAB O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(O)=N2)c1ccc(-c2ccccc2)cc1 95476704 GMLAVLFVTDDXNV-QFIPXVFZSA-N 411.461 4.812 0 40 HJAB Cc1ccc(NC(=O)CN2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1Cl 96024414 NSNJCIWVBNLJQN-UHFFFAOYSA-N 416.934 4.578 0 40 HJAB CC(C)c1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@@H]2CCOC(C)(C)C2)cc1 96117050 NLNFFYWVWMJXFG-APWZRJJASA-N 415.559 4.617 0 40 HJAB O=S(=O)(Nc1ccccc1Cl)c1cc(Br)cc(C(F)(F)F)c1 98073017 WMAKTYZNKHMHBG-UHFFFAOYSA-N 414.630 4.922 0 40 HJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc(Cl)c4)[C@H]3C2=O)c1 101089516 GVADMOBWKCUKNK-VSKRKVRLSA-N 418.880 4.700 0 40 HJAB CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(OCC)c1 106757330 WSLKEIJUFQAWSF-ZHZULCJRSA-N 413.495 4.599 0 40 HJAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 108040145 PIAQFHFIKWLEOJ-UHFFFAOYSA-N 412.436 4.993 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1C 218802652 YAQSUPHJLSCCPT-MRXNPFEDSA-N 414.552 4.657 0 40 HJAB CC[C@@H](NC(=O)COc1ccc(I)cc1)c1ccc(C)cc1C 219836267 KZVOEROARKLHKB-GOSISDBHSA-N 423.294 4.554 0 40 HJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC)c(Br)c3)N21 222665976 UQRZEEXTNILNPM-DOPJRALCSA-N 418.360 4.832 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 223174340 CUDSCEYHPBMMRY-INIZCTEOSA-N 421.368 4.870 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CC1 223848725 ISLPWRSRCXSKHT-FGZHOGPDSA-N 404.539 4.718 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COCc1ccccc1 224749349 KDSMHAUHEWZQCO-UHFFFAOYSA-N 405.450 4.783 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 225098411 YVTJZMJVXPURDN-OAQYLSRUSA-N 400.950 4.606 0 40 HJAB Cc1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1N1CCCC1=O 225545331 TWPVODQTLUIRBK-UHFFFAOYSA-N 401.963 4.694 0 40 HJAB CC1(C)C[C@@H](NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2O1 225579058 RGBKWTATDSGAOX-HXUWFJFHSA-N 423.582 4.902 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 225720377 NGCZYHHCMJIGIL-QFIPXVFZSA-N 412.599 4.560 0 40 HJAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3c(C)cccc3C(C)C)ccc21 225726604 AGZKGXQVACETQY-UHFFFAOYSA-N 404.557 4.706 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccccc1F 408573908 FEEIFXCIDHDYNP-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)NC(=O)C(c1ccccc1)c1ccccc1 408999527 DDOKPEKLKBBNIJ-INIZCTEOSA-N 422.912 4.624 0 40 HJAB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC(C)C 409228304 WZTZFYJSGDCAAL-CXUHLZMHSA-N 421.280 4.887 0 40 HJAB COc1cccc2cc(-c3nnc(SCC(=O)Nc4c(C)cccc4C)n3C)oc12 409339022 DIPLUQLOTKGORZ-UHFFFAOYSA-N 422.510 4.585 0 40 HJAB CN(CCc1cccc2ccccc12)S(=O)(=O)c1sccc1Br 509664830 KVXDUYYQEQNZKC-UHFFFAOYSA-N 410.358 4.527 0 40 HJAB CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 588015264 ABKAMYULOAOICE-QFIPXVFZSA-N 413.502 4.880 0 40 HJAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(C(C)C)cc1 641187 FGSXYLQRYPCZNL-OAQYLSRUSA-N 409.555 4.640 0 40 HJAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2C(F)(F)F)cc1 664100 PUXUOZSFHVJQAM-UHFFFAOYSA-N 420.460 4.888 0 40 HJAB Cc1cc(C)c(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)c(C)c1 1327246 UKFSYNHZOUUCBQ-UHFFFAOYSA-N 400.569 4.790 0 40 HJAB Nn1c(SCc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1Cl 2639949 PUXCPTLOOVQBBO-UHFFFAOYSA-N 408.339 4.868 0 40 HJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1c(C)cc(C)cc1C 3296656 POPHCHGSJKQXBM-UHFFFAOYSA-N 411.420 4.673 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 3395680 URUGKXVNBRYXPY-UHFFFAOYSA-N 422.485 4.804 0 40 HJAB CC(C)N(C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(C)C 3587897 IPHBVMVMVNTKDM-UHFFFAOYSA-N 406.555 4.943 0 40 HJAB CCCn1c(SCC(=O)Nc2c(C)cccc2C)nc2c(oc3ccccc32)c1=O 4852712 SSRXMEYTLZVLLA-UHFFFAOYSA-N 421.522 4.900 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)COc1ccc(Cl)cc1Cl 4985479 IXUKECKBYICCAE-DDUZABMNSA-N 417.329 4.919 0 40 HJAB CCOc1ccc(CCNC(=O)CSc2nc3ccccc3s2)cc1OCC 5034843 HJQHIKDVDNQACK-UHFFFAOYSA-N 416.568 4.545 0 40 HJAB CCc1ccc(-c2n[nH]c(S[C@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)n2)cc1 5180236 ZYGMTBAEWNTILH-GFCCVEGCSA-N 411.556 4.802 0 40 HJAB Cc1cc(C)cc(-n2nnc(-c3nsc(NC(=O)c4ccc(C)c(C)c4)n3)c2C)c1 6914606 AJUUDOIKUAPIKJ-UHFFFAOYSA-N 418.526 4.580 0 40 HJAB COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1cnn(Cc2ccccc2)c1 7113144 KZHAKPNYVXVCHM-DEOSSOPVSA-N 410.477 4.711 0 40 HJAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)s1 8075983 YDFZVTPKEBMTMY-UHFFFAOYSA-N 408.527 4.643 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(I)cc2C)c(C)c1 8477555 OPSSGBPJOOEQQZ-AWEZNQCLSA-N 409.267 4.622 0 40 HJAB Cc1ccc(NC(=O)[C@H](Sc2nc3nc(C)cc(C)n3n2)c2ccccc2)cc1 8751708 XUOXVNZQMALDGC-LJQANCHMSA-N 403.511 4.522 0 40 HJAB Cc1ccsc1CN(C[C@@H]1CCCO1)C(=O)COc1cc(C)c(Cl)c(C)c1 8869419 PBHKRHYYJINZBO-KRWDZBQOSA-N 407.963 4.913 0 40 HJAB CCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 9139571 QEQIFCSUBDBDLQ-UHFFFAOYSA-N 404.898 4.878 0 40 HJAB COc1cccc(Nc2nnc(Sc3ncnc4sc5c(c34)CCC5)s2)c1 9368093 WKWSIJFZKKZINW-UHFFFAOYSA-N 413.553 4.935 0 40 HJAB Fc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 12576842 NNYPZDZNCUZTQH-HYBUGGRVSA-N 402.425 4.839 0 40 HJAB CC(=O)Nc1ccc(C(=O)N(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)cc1 12608256 GBRYCOJSDXEKMT-QGZVFWFLSA-N 412.493 4.817 0 40 HJAB CCOc1ccc(Oc2ccc(NC(=O)c3cc4ccccc4[nH]c3=O)cc2)cc1 12616392 GZKHJDIYXPNUIY-UHFFFAOYSA-N 400.434 4.971 0 40 HJAB Cc1cccc2cc([C@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)O)c(Cl)nc12 13016279 KPOWSINUMDIHQN-LJQANCHMSA-N 421.884 4.739 0 40 HJAB COc1ccc2c(=O)c(Oc3ccc(C(=O)Nc4nccs4)cc3)c(C)oc2c1 13721688 KOMDYNMMFGRODF-UHFFFAOYSA-N 408.435 4.611 0 40 HJAB biogenic CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccccc2C)sc2c1CCCC2 13994722 XBYQBDOMEDDTDW-MRXNPFEDSA-N 401.528 4.908 0 40 HJAB COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 13999440 RAZIDVWAILGOLK-IECKCJDVSA-N 400.478 4.838 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 14155052 UKYRTPVFXVIXCZ-NRFANRHFSA-N 414.433 4.584 0 40 HJAB COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccc(NC(C)=O)cc1)C1=C2CCCC1 19022370 IZIUNSCEUOTEEB-JOCHJYFZSA-N 420.509 4.517 0 40 HJAB COc1ccccc1-c1noc(C)c1C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 19579668 YEOPJNJHMQNXDP-JOCHJYFZSA-N 422.481 4.557 0 40 HJAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C[C@@H]2C=CCC2)C1 19591063 FIBODCOWCPLBKL-CLOONOSVSA-N 422.594 4.669 0 40 HJAB O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1cccc(Cl)c1 19881378 NWJQOJPBNXWJRM-UHFFFAOYSA-N 419.956 4.686 0 40 HJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 20495794 RFHJGCFYKLXJTM-IBGZPJMESA-N 407.558 4.699 0 40 HJAB COc1ccc(CN2C(=O)/C(=C\N[C@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3C2=O)cc1 23295882 OBOIWTUNSQCWPD-FYYWFDPDSA-N 418.537 4.633 0 40 HJAB COc1ccccc1CN(Cc1cccs1)C(=O)c1cncc(Br)c1 24023731 ZGKPGQXHDOGDKG-UHFFFAOYSA-N 417.328 4.757 0 40 HJAB Cc1cccc(NC(=O)Nc2nn(Cc3ccccc3F)cc2Br)c1 28579569 QXYPWRWMIISXSQ-UHFFFAOYSA-N 403.255 4.785 0 40 HJAB CCc1c(C)sc2c1c1nc(-c3ccco3)nn1c(=O)n2Cc1ccccc1Cl 32089264 YABREJYHTYBPEU-UHFFFAOYSA-N 424.913 4.938 0 40 HJAB O=C(CCN1C(=O)CSc2ccccc21)N[C@H](c1cccs1)C1CCCC1 32396997 MOWWBXOHPDTPTJ-NRFANRHFSA-N 400.569 4.625 0 40 HJAB COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2)N(CCc2ccccc2)C3=O)cc1 32593542 YGLWEKIZMHBKEZ-VWLOTQADSA-N 409.489 4.873 0 40 HJAB C[C@@H](Cc1nnc(SCC(=O)N[C@H]2CCCc3ccccc32)o1)c1ccccc1 32957348 LYNTZLZLYNNSRN-JXFKEZNVSA-N 407.539 4.702 0 40 HJAB CCOc1cc(CN(Cc2ccncc2)C2CC(C)(C)NC(C)(C)C2)ccc1OC 36740556 BQNIZAJLTIRMBA-UHFFFAOYSA-N 411.590 4.800 0 40 HJAB Cc1[nH]c2ccc(C(=O)Nc3n[nH]c4c3c(C)nn4Cc3ccc(F)cc3)cc2c1C 40116248 HGWWHTIKCQUUQB-UHFFFAOYSA-N 416.460 4.606 0 40 HJAB COc1cc(CNC(=O)c2ccccc2Br)ccc1OC1CCCC1 48281666 XGSGZTQLEVMWLA-UHFFFAOYSA-N 404.304 4.709 0 40 HJAB COc1ccc(Nc2c(C(=O)N3CCC[C@H](C)C3)cnc3nc(C)ccc23)cc1OC 49005348 OGWABPNVUZJJRN-HNNXBMFYSA-N 420.513 4.571 0 40 HJAB COc1cccc(COC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1 58549411 SCCHNXCWCGRJJL-UHFFFAOYSA-N 409.442 4.501 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cc(F)cc(F)c3)oc12 67293551 WWTQGNYRQMRXBL-ROMGYVFFSA-N 407.376 4.599 0 40 HJAB Cc1noc(C)c1CN1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 69902455 VRLSDBNTSWYSBY-QHCPKHFHSA-N 410.562 4.980 0 40 HJAB O=C(c1ccccc1)N1CCCCC[C@H]1C1CCN(c2ncnc3sccc23)CC1 70011741 GKPDURPPUDAZBC-NRFANRHFSA-N 420.582 4.993 0 40 HJAB CCS[C@H]1CC[C@@H](NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 72303482 QGFNZSOHVYRCAT-MOPGFXCFSA-N 415.555 4.687 0 40 HJAB Clc1ccccc1OCc1nn2c(C34CC5CC(CC(C5)C3)C4)nnc2s1 72333572 DUSVOGPOZPHLTN-UHFFFAOYSA-N 400.935 4.886 0 40 HJAB CC(C)CS(=O)(=O)CCC(=O)N(C)[C@H](c1csc2ccccc12)[C@H]1C[C@@H]1C 89922050 JHCZQUCWXFTZIO-WJPUGNRLSA-N 407.601 4.518 0 40 HJAB CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 95081650 XNGGGCFQSLQNIG-UHFFFAOYSA-N 409.246 4.525 0 40 HJAB CCc1cccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)c1 102202679 RAIVTCIKKOXPIR-QFBILLFUSA-N 403.345 4.946 0 40 HJAB CC(C)C[C@@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@@H]2ON1c1ccccc1 102728418 KAEVMPMHCQRLOG-ZHALLVOQSA-N 419.308 4.718 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3)c(Cl)c2)cc1 224238472 GWMSTRZETDTCHG-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 224617827 PUPUPGVSCKWHEM-XMMPIXPASA-N 424.585 4.570 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)c1 257328315 XFCNMFFGGPOHBH-IBGZPJMESA-N 424.928 4.876 0 40 HJAB O=C1/C(=C\c2ccncc2)N=C(c2ccc(F)cc2)N1c1ccc(Br)cc1 408840242 CTXYFSKNEROUCR-CPNJWEJPSA-N 422.257 4.818 0 40 HJAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C1=O 409020593 QWIIVFCJYMRVTB-YXHQGMJNSA-N 419.886 4.896 0 40 HJAB O=C(COc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 409061178 XTMVGBGUYULYHG-UHFFFAOYSA-N 406.507 4.897 0 40 HJAB COCCCN1C(=O)S/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O 409251689 VRDJCNBWDZMXJC-FYJGNVAPSA-N 424.497 4.902 0 40 HJAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C 409344216 IFCMYQSPIJGVNT-SWLSCSKDSA-N 418.950 4.669 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(F)c3)[C@@](O)(C(F)(F)F)[C@H]2C1 409364671 XVWXMPPTVYAGEZ-WTANOLMUSA-N 400.416 4.741 0 40 HJAB O=C(COc1ccccc1-c1nc(CCc2ccccc2)no1)Nc1ccccc1F 504265672 FNWQCFJESBAVSA-UHFFFAOYSA-N 417.440 4.678 0 40 HJAB O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 588928385 GFMUTLCYEWWCCN-SJORKVTESA-N 406.452 4.546 0 40 HJAB O=C1c2ccccc2N[C@@H](c2cc(-c3ccccc3)[nH]n2)N1c1ccc2c(c1)OCO2 639402292 LKUZBVHIRSLDSQ-HSZRJFAPSA-N 410.433 4.577 0 40 HJAB CCOc1cccc(C(=O)N2Cc3ccccc3NCC[C@H]3CC[C@@H](C2)N3C(C)C)c1 643578340 SRUXWGGNSRSLAH-PKTZIBPZSA-N 421.585 4.785 0 40 HJAB COc1cc(CO)cc(I)c1OCc1ccc2ccccc2c1 664670 ZXPXSHIYMHSQHQ-UHFFFAOYSA-N 420.246 4.524 0 40 HJAB CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)CC(=O)N1 708813 QAZCNBYERNCGFW-INIZCTEOSA-N 404.293 4.657 0 40 HJAB CCOc1ccc(NC(=O)[C@H](C)Sc2nc3ccc(NC(C)=O)cc3s2)cc1 780267 SJTGNTUBRSRUEB-LBPRGKRZSA-N 415.540 4.773 0 40 HJAB CC1CCN(c2nc(Nc3ccc(Cl)cc3)nc(N3CCC(C)CC3)n2)CC1 848427 SOZIOMGXMYXFBY-UHFFFAOYSA-N 400.958 4.741 0 40 HJAB O=C(CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1)c1ccccc1 898718 MDYIKSLGKXCFTB-UHFFFAOYSA-N 418.497 4.994 0 40 HJAB COc1cccc(C(=O)N(Cc2cccs2)Cc2cc3cccc(C)c3[nH]c2=O)c1 1346758 VQCAZRNFOQIURV-UHFFFAOYSA-N 418.518 4.749 0 40 HJAB Cc1cc(C)c2nc(NC(=O)c3cccc(I)c3)sc2c1 3044442 QCIIKDLEHQDUAL-UHFFFAOYSA-N 408.264 4.770 0 40 HJAB O=c1c2ccccc2nc(SC[C@@H]2CCCCO2)n1Cc1ccc(Cl)cc1 3298589 XWGFZGNJGZINCC-KRWDZBQOSA-N 400.931 4.759 0 40 HJAB CCOc1ccccc1NC(=O)CNc1ccccc1C(=O)Nc1ccc(F)cc1 3325238 BEVKDBHYLXBZJS-UHFFFAOYSA-N 407.445 4.527 0 40 HJAB CN1CCN(c2nc(-c3ccccc3)nc3c2sc(=S)n3-c2ccccc2)CC1 4191384 WKQVGRMXBJMGQP-UHFFFAOYSA-N 419.579 4.630 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)OCCOc2ccccc2Cl)c1 4318271 SSSDKAYJZYLIHT-UHFFFAOYSA-N 401.846 4.760 0 40 HJAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2)cc1Cl 4687313 ZHTMTQFCWJVSNC-UHFFFAOYSA-N 413.724 4.628 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1C 4700315 AAXBNGHYRLBBJU-UHFFFAOYSA-N 416.550 4.907 0 40 HJAB COc1cccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(F)cc(F)c32)c1 4937192 RFIMLHUORDPTRQ-UHFFFAOYSA-N 405.400 4.568 0 40 HJAB COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCc1ccccc1Cl 4973819 VWYPGCJMOWTUAT-UHFFFAOYSA-N 409.873 4.709 0 40 HJAB CC(=O)N1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 5278608 UNZKSPWXVBJLAE-NRFANRHFSA-N 409.917 4.531 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)NCCC1=CCCCC1 5332593 LDBBHOFAXOVWIV-UHFFFAOYSA-N 400.523 4.518 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)c1C 6200311 UAFQOLXCUQJZMJ-CYBMUJFWSA-N 418.493 4.547 0 40 HJAB Cc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1F 6647924 BEKZFGIHSJMCDU-LLVKDONJSA-N 401.532 4.994 0 40 HJAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OCC)c(OC)c1 6752975 QPALGGNPPFNDBH-HSZRJFAPSA-N 421.497 4.535 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 8633845 RPXALHHTRQBATI-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB C[C@H](CCc1ccco1)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 8765412 GNYVGLVKFSJOHX-QGZVFWFLSA-N 417.461 4.569 0 40 HJAB biogenic CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OCC)c(OCC)c1 8917082 AZZQPBOXJIBVGV-JOCHJYFZSA-N 421.493 4.854 0 40 HJAB CCOc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 8936177 HWTLYXQXWCHLGP-NRFANRHFSA-N 423.509 4.573 0 40 HJAB CC(C)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C1=O 9236589 PIVGODKYSBPDII-YBFXNURJSA-N 411.479 4.656 0 40 HJAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccc(F)c(Cl)c1 9464541 GNSFWALAYOJYLH-UHFFFAOYSA-N 422.938 4.789 0 40 HJAB COc1ccc(-c2n[nH]c(SCC(=O)N(Cc3ccco3)C3=CCCCC3)n2)cc1 9608351 HEKBSXWQQAXJJI-UHFFFAOYSA-N 424.526 4.652 0 40 HJAB CCc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccccc32)cc1 9855613 TXETUNCBHOXZPD-UHFFFAOYSA-N 424.500 4.742 0 40 HJAB O=C(CNC(=O)c1sc2ccccc2c1Cl)OCc1nc2ccccc2s1 9987039 SSZBQAXYYVGNGC-UHFFFAOYSA-N 416.911 4.638 0 40 HJAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cccc(C)c1C 11118863 BEQPGCPZUYWSTL-UHFFFAOYSA-N 420.534 4.680 0 40 HJAB Cc1cccc(OCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c1C 11667209 OYHZKVKNUSIKCV-UHFFFAOYSA-N 403.482 4.645 0 40 HJAB Cc1ccc(OCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1C 11667256 LWICLUCCVHHMBJ-SFHVURJKSA-N 403.482 4.816 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 12296705 YVXLOKQDFSXBDM-MAUKXSAKSA-N 403.979 4.766 0 40 HJAB biogenic O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)c1ccc2ccccc2c1 12569321 HRPYVCGUFNJJBA-FQEVSTJZSA-N 404.447 4.710 0 40 HJAB COc1ccc(C(=O)C2CCN(C(=O)c3csc(-c4cccs4)n3)CC2)cc1 12741919 MZQBMASDIJAFTR-UHFFFAOYSA-N 412.536 4.615 0 40 HJAB COc1ccc2cc(COC(=O)/C=C/c3cnc4ccccc4n3)c(Cl)nc2c1 12824247 AIYZVFXESHXQQV-VQHVLOKHSA-N 405.841 4.597 0 40 HJAB CC(=O)c1ccc(OCC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)cc1 13003324 CPMBBWJTUAMQJG-UHFFFAOYSA-N 420.534 4.837 0 40 HJAB CC1(C)C[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c2ccccc2O1 13675332 ZWNDLYFNJWZSTE-MRXNPFEDSA-N 400.327 4.715 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2C)c1 13842435 PTQZXPPTTUYDKD-UHFFFAOYSA-N 424.570 4.865 0 40 HJAB CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccc(Br)cc1 14091665 ZDTFJYLBXHETFH-UHFFFAOYSA-N 418.360 4.952 0 40 HJAB CC(C)c1ccc(-c2noc(CSc3nnc(NC[C@H]4CCCO4)s3)n2)cc1 14109019 VSFZXRPPVFOLBN-OAHLLOKOSA-N 417.560 4.595 0 40 HJAB COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc(OC)c1O 14132154 YTAOZARLMJKXCK-UDWIEESQSA-N 421.474 4.799 0 40 HJAB CCCOC(=O)c1ccc(NC(=O)C2=Cc3cc(Cl)cc(OC)c3OC=C2)cc1 15838717 YJJMHNPAFANSGX-UHFFFAOYSA-N 413.857 4.844 0 40 HJAB O=C(CSC1=NC(c2ccccc2)=NCN1c1ccccc1)Nc1cccc(F)c1 15860592 RSYFWIDVUVVKBZ-UHFFFAOYSA-N 418.497 4.778 0 40 HJAB COc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)c2c[nH]c3ccccc23)cc1 18074451 WSTNPRBXAYBNJQ-QFIPXVFZSA-N 418.468 4.643 0 40 HJAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)CC3CCCCC3)CC2)C1 19019797 WXMALJVRHCRYDN-UHFFFAOYSA-N 412.574 4.538 0 40 HJAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)CC2CCCC2)n1 19694444 PLCUDPVDLGMOIN-OAQYLSRUSA-N 410.537 4.983 0 40 HJAB Cc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1C 19946827 GKFXFCSQPCIDQA-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20042550 PYOKJJNUOGAENT-RTBURBONSA-N 407.558 4.699 0 40 HJAB O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20153717 YOGLFVDZTTYWEV-IZZDOVSWSA-N 412.898 4.619 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 20484071 UXHDUSQXPAVHSI-SFHVURJKSA-N 408.523 4.595 0 40 HJAB CCCc1nnc2sc(-c3cccc(NC(=O)CSc4ccccc4)c3)nn12 20609675 BQTNRVXJMFCGCB-UHFFFAOYSA-N 409.540 4.536 0 40 HJAB CCc1ccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3ccc(C(C)C)cc32)cc1 20715227 CPHHPGYKAYQPJM-DEOSSOPVSA-N 400.482 4.788 0 40 HJAB Cc1ccc(CSC2=NS(=O)(=O)c3ccccc3N2Cc2ccccc2)cc1 21117568 YGRPSDFJLIOECQ-UHFFFAOYSA-N 408.548 4.993 0 40 HJAB O=C(COCc1nc2ccccc2s1)Nc1ccc2c(c1)OC1(CCCCC1)O2 22527792 XQCZZKLHPCPAAK-UHFFFAOYSA-N 410.495 4.883 0 40 HJAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(-n4cccn4)cc3)cc2)n1 22890827 MVFIRUJZGSPULX-UHFFFAOYSA-N 401.495 4.683 0 40 HJAB COc1ccc(OC)c(CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)C2CC2)c1 25809287 PFBFOZCZOVIXRT-UHFFFAOYSA-N 412.873 4.817 0 40 HJAB O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1ccc(Br)cc1 27741571 UVDYOMDERXFFJF-KRWDZBQOSA-N 407.377 4.858 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1cc(=O)c2ccc(Br)cc2o1 27793942 HVYBEUMKBBQBPD-UHFFFAOYSA-N 412.161 4.827 0 40 HJAB COc1ccc(CSc2nnc(Nc3cccc(Cl)c3Cl)c(=O)n2C)cc1 28538906 XNWAGIYBFFIGRZ-UHFFFAOYSA-N 423.325 4.527 0 40 HJAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1cc2c(s1)-c1ccccc1CC2 29291366 DZSBTBBGORIGCC-UHFFFAOYSA-N 402.519 4.888 0 40 HJAB COc1ccc(-c2csc3nc(SCC(=O)c4ccccc4)nc(N)c23)cc1 32088435 WWTVNLVSMIRDNA-UHFFFAOYSA-N 407.520 4.924 0 40 HJAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)n2)cc1 32759890 RTCNNWYACAGGBN-MRXNPFEDSA-N 411.552 4.671 0 40 HJAB COc1ccc(NC(=O)[C@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 32850998 RRKQABRAPFWDJJ-XMMPIXPASA-N 415.493 4.614 0 40 HJAB Cc1cc(C)nc(SCC(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)n1 32904425 UQXRILKCFZRGLW-JOCHJYFZSA-N 403.507 4.838 0 40 HJAB CCc1ccccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C 33089197 MAZHMCJBJRMZQC-GFCCVEGCSA-N 411.299 4.696 0 40 HJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@H]1c1cccc([N+](=O)[O-])c1 33783032 SURHILKCYNFSOF-IBGZPJMESA-N 411.483 4.712 0 40 HJAB COc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c(OC)c1 35478596 WOPVNTWECKPOOC-UHFFFAOYSA-N 409.461 4.761 0 40 HJAB Cc1cc(C(=O)CSc2nnc([C@H]3COc4ccccc4O3)n2C)c(C)c(C)c1C 36849959 FKRZOXMVVUEVEE-OAQYLSRUSA-N 423.538 4.536 0 40 HJAB CC[C@@H](c1nnc(SCc2ccccc2OC)n1-c1ccc(OC)cc1)N(C)C 39964447 HZEHNDCAWICWBV-IBGZPJMESA-N 412.559 4.590 0 40 HJAB O=C(NCc1ccccc1)C1CCN(C(=O)c2cc(F)ccc2-c2ccccc2)CC1 40141532 SEBFCHVMDNROKO-UHFFFAOYSA-N 416.496 4.661 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(O)[C@@H](C)OC(C)=O)C1 83293783 COXXOOWTEWCQRW-OQRGXACUSA-N 420.590 4.644 0 40 HJAB COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)n1 84147694 OXJAXYXMWSMECP-UHFFFAOYSA-N 402.454 4.713 0 40 HJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccnc(Cc2ccccc2)n1 89562741 UCEMKTJQAILPJZ-UHFFFAOYSA-N 404.470 4.891 0 40 HJAB O=S(=O)(Nc1cnc(Cl)c(Br)c1)c1cccc(Cl)c1Cl 95944089 QCCGZZFIPXDGAN-UHFFFAOYSA-N 416.511 4.605 0 40 HJAB COc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 96221066 WEBWJKLMQAORQY-IBGZPJMESA-N 414.413 4.615 0 40 HJAB biogenic CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)c3ccc(C)o3)CC2)c2ccccc21 96242341 PWQWIDHQGGGQQO-LJQANCHMSA-N 408.542 4.508 0 40 HJAB Cc1ccc(N(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 113934357 XEHMEDFEDBEJJA-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(Br)c(C)c1 218829252 OYLUVPOFRLWQFE-GOSISDBHSA-N 418.331 4.863 0 40 HJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OCC)cc1 222888085 OQBMUTVLFZCKAS-YADHBBJMSA-N 406.555 4.654 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 223297798 CLSLONAPOMWCGN-OAQYLSRUSA-N 414.977 4.913 0 40 HJAB CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 223493227 VNTMTWWUNOGCPS-RUZDIDTESA-N 418.512 4.665 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 223640152 YZVJHBRPOXBMHF-QGZVFWFLSA-N 418.990 4.684 0 40 HJAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1C 225147916 GFGONCUOOKXWHP-FCHUYYIVSA-N 420.538 4.817 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 225186448 CTFIRYMWNFRKJD-HSZRJFAPSA-N 424.585 4.633 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 225574150 XTHQBFAXTQLYTP-QPPBQGQZSA-N 424.585 4.876 0 40 HJAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3ccc(OC)c(OC)c3)nc2c1 226283797 PUKOPARQOAIXRR-UHFFFAOYSA-N 408.376 4.736 0 40 HJAB COC(=O)c1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1 226343972 LBEAOECSSGEQGZ-UHFFFAOYSA-N 410.065 4.542 0 40 HJAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)C1(c2cccs2)CCCC1 253394129 AJALLYAHOXLJNG-FQEVSTJZSA-N 403.594 4.735 0 40 HJAB CC(C)CC(=O)N1CCC(Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)CC1 257341202 ZJHUMHNJPZGUKX-UHFFFAOYSA-N 406.570 4.639 0 40 HJAB CCOC1(C(=O)Nc2ccc(OCCN3CCC[C@H](C)C3)cc2)CCCCCC1 260814446 IALJYUNNDBPENB-FQEVSTJZSA-N 402.579 4.865 0 40 HJAB COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1Cl 409054749 WGGWHUAJJOPRNE-BOPFTXTBSA-N 407.850 4.603 0 40 HJAB Cc1ccc(SC2CCCC2)c(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c1 540710297 UDKURNQCBWZXTB-UHFFFAOYSA-N 404.557 4.654 0 40 HJAB CN1C(=O)CCc2cc(C(=O)Nc3ccc(Cl)cc3[C@@H](O)c3ccccc3)ccc21 1639300830 DHOLVIZURVHQBU-QHCPKHFHSA-N 420.896 4.583 0 40 HJAB Cc1ccc(NC(=O)c2ccccc2I)cc1Br 651265 CRXDCGFLBBAJCC-UHFFFAOYSA-N 416.056 4.614 0 40 HJAB COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccc3c(c2)OCCCO3)cc1 668077 HWUBYWIGFQREQM-QFIPXVFZSA-N 403.478 4.570 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc(CNc3c(C)cccc3C)n2C)c(C)c1 878178 IDDVRQHTNDKRCQ-UHFFFAOYSA-N 423.586 4.700 0 40 HJAB Cc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=S)NCC(C)C)cc1 920008 HVBHTMOYLWQJEI-UHFFFAOYSA-N 407.583 4.678 0 40 HJAB COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccccc2)cc1O 2208941 OOWGZKGUGRTIAH-UHFFFAOYSA-N 415.449 4.811 0 40 HJAB biogenic CC(C)c1nc2sc3c(NCCCN(C)C)ncnc3c2c2c1COC(C)(C)C2 2308420 LJNLYLAVQCMFOS-UHFFFAOYSA-N 413.591 4.578 0 40 HJAB C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)O 2560696 ORQZAESELNKXTJ-UZLBHIALSA-N 413.514 4.972 0 40 HJAB in-vitro COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1ccc2ccccc2c1 2643348 VHGWWVRNDIOXJS-HNNXBMFYSA-N 404.495 4.548 0 40 HJAB CCN(C(=O)CSc1nncn1-c1ccccc1OC)c1cccc2ccccc12 2651505 FFXOLGKKFVLAPO-UHFFFAOYSA-N 418.522 4.574 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2cccc(C)c2)ns1 2917527 SJODTKMBYPXPCP-UHFFFAOYSA-N 405.932 4.906 0 40 HJAB O=C(CC1(c2ccccc2)C2CC3CC(C2)CC1C3)NCCOC(=O)c1cccs1 3125726 MQMLZZKIPVOGLT-UHFFFAOYSA-N 423.578 4.805 0 40 HJAB Cc1c(CCOC(=O)CC2C3CC4CC(C3)CC2C4)sc[n+]1Cc1ccccc1 3215034 XZLICJPBSAMHQN-UHFFFAOYSA-N 410.603 4.940 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)c1c(F)cccc1Cl 3337334 DUBQVQKSEMXBKY-UHFFFAOYSA-N 412.804 4.712 0 40 HJAB O=C1OCC[C@H]1Sc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1 3347379 OUVWDTHQSQLEQK-HXUWFJFHSA-N 407.539 4.935 0 40 HJAB O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 4682375 QUUYJARSAPEIPR-UHFFFAOYSA-N 404.116 4.883 0 40 HJAB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3Sc3ccccc3)CC2=O)cc1 4731955 RQHUOBCYFNFNPA-QGZVFWFLSA-N 418.518 4.838 0 40 HJAB COc1cccc(CNCc2ccc3c(c2)OCO3)c1OCc1ccc(Cl)cc1 5019746 RBLOQIGROKHZSR-UHFFFAOYSA-N 411.885 4.946 0 40 HJAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 5867631 SFRFDFUDGNGCFS-LBPRGKRZSA-N 406.433 4.918 0 40 HJAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccccc2)cc1 5895927 USOIXSDZDNZRMO-AUSIDOKSSA-N 415.489 4.863 0 40 HJAB O=C(COC(=O)c1cc2c(s1)CCC2)Nc1cc(Cl)c(Cl)cc1Cl 6224225 QOVNKRMULJSONF-UHFFFAOYSA-N 404.702 4.993 0 40 HJAB COc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3o2)cc(OC)c1OC 6441188 VSDUXWNGAGWGLE-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB Cc1ccccc1-n1c(C)nnc1SCc1cc(=O)oc2cc3c(cc12)CCC3 6831017 XENJXQYLTUKUNQ-UHFFFAOYSA-N 403.507 4.772 0 40 HJAB C[C@@H](c1ccccc1)N(C)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 8571844 PYJRCVKRDKJVAB-KRWDZBQOSA-N 406.555 4.516 0 40 HJAB CCC(=O)N(c1nnc(SCc2ncc(-c3ccc(F)cc3)o2)s1)C1CC1 9584552 FBEDYNJNGOHRIK-UHFFFAOYSA-N 404.492 4.530 0 40 HJAB Cc1ccc(NC(=O)[C@@H](Sc2nnnn2Cc2ccccc2)c2ccccc2)cc1 9647438 IZZZPUNYPHXPAV-NRFANRHFSA-N 415.522 4.502 0 40 HJAB COc1ccc(-c2cnc(SCCNC(=O)c3ccc(C(F)(F)F)cc3)[nH]2)cc1 9713677 CRIDNEYAUNBPGO-UHFFFAOYSA-N 421.444 4.626 0 40 HJAB COc1cc(C(=O)NCc2coc(-c3cccs3)n2)ccc1OCCC(C)C 10875067 WRVZFLFRUWPUJI-UHFFFAOYSA-N 400.500 4.767 0 40 HJAB Cn1cc(Cl)c([C@H]2CCCCCN2C(=O)c2cc(-c3ccccc3F)no2)n1 12119618 SRXWGLDVBCZYCC-QGZVFWFLSA-N 402.857 4.625 0 40 HJAB COc1cccc([C@@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)c2nccn2C)c1 12507647 DXUVBROHLAQQDU-QGZVFWFLSA-N 405.285 4.647 0 40 HJAB COc1ccccc1[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1nccn1C 12559992 RCNORJSAGKTMGA-QGZVFWFLSA-N 405.285 4.647 0 40 HJAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2cccc(Cl)c2)cc1 12780136 HXGFMAAMKIMOCF-CYBMUJFWSA-N 416.934 4.537 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 13098386 RSMZTOVJYVBCPN-NFAYLAGKSA-N 424.854 4.802 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 13551763 BNSWUAICNHZPIT-WMLDXEAASA-N 412.820 4.567 0 40 HJAB O=C1C[C@H](c2ccco2)Cc2nc3nc(SCc4ccc(Cl)cc4)nn3cc21 13634275 CHNMTHYTBNERKK-CYBMUJFWSA-N 410.886 4.576 0 40 HJAB Cc1ccc(C)c(NC(=O)CN(C)CC(=O)Nc2ccccc2Oc2ccccc2)c1 14142416 WTNLCVIEQHSKAV-UHFFFAOYSA-N 417.509 4.605 0 40 HJAB CCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 17089071 AQRQENLBMWFENN-UHFFFAOYSA-N 411.914 4.969 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cc1OC 19082414 WASXPIOWNTWMBQ-FUHWJXTLSA-N 412.530 4.820 0 40 HJAB Cc1ccc([C@H](C)C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)CC2)cc1 19135785 RWNUHGSUFWLEDV-FFZOFVMBSA-N 416.516 4.533 0 40 HJAB CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)C(C)C)C1 19447218 QHKWRDHRPLDLAA-XMMPIXPASA-N 412.599 4.605 0 40 HJAB C[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)[C@H](C)c4ccccc4)CC3)cc2N1 19574986 NFQWHTRZMQWNRJ-SPYBWZPUSA-N 420.479 4.700 0 40 HJAB CCn1ncc(CN2CCC(c3cc(Cc4cccc(OC)c4)cc(C)n3)CC2)c1C 19687075 UKZJXDFVNILCQF-UHFFFAOYSA-N 418.585 4.894 0 40 HJAB CCc1ccc2oc(-c3ccc(OC)c(OC)c3)c/c(=N\[C@@H](C(=O)O)C(C)C)c2c1 19794116 PJXWAOOGGCFXNT-DMUURETOSA-N 409.482 4.689 0 40 HJAB COC(C)(C)CCOc1ccc2nc(NC(=O)C(C)(C)Br)sc2c1 20133248 SIGJMNFMZCYQIP-UHFFFAOYSA-N 415.353 4.602 0 40 HJAB O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)Nc1cccc2ccccc12 21112501 AOSUUHHSEVTEGN-UHFFFAOYSA-N 424.913 4.921 0 40 HJAB Oc1nc(CN2CCC(c3nc4ccccc4s3)CC2)nc2cc(Cl)ccc12 23828623 QHRGYGPWOXOQPJ-UHFFFAOYSA-N 410.930 4.978 0 40 HJAB C[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(Br)cc2)no1 27749588 OUYIKKUPATZWOR-LLVKDONJSA-N 405.223 4.649 0 40 HJAB O=C(CSc1ccccc1)Nc1nn(Cc2ccc(F)cc2)cc1Br 27916881 GBKBQCGPTXXUIH-UHFFFAOYSA-N 420.307 4.564 0 40 HJAB Cc1cccc(CC(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@H]2c2ccc(F)cc2)c1 28047962 UAEHIYYHKYAVBX-XMMPIXPASA-N 422.887 4.900 0 40 HJAB CSCC[C@@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1nc2ccccc2[nH]1 32823610 VBDXGSNACCROHJ-GOSISDBHSA-N 413.930 4.603 0 40 HJAB O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCN(c2ccccc2O)CC1 35414097 DQCXKBBZDKZUQI-RUZDIDTESA-N 411.505 4.620 0 40 HJAB CCn1ncc(NC(=O)c2cc(C3CC3)nc3onc(-c4cccc(OC)c4)c23)c1C 36618999 BRERMBUCACNJMC-UHFFFAOYSA-N 417.469 4.553 0 40 HJAB C[C@@H](NC(=O)CCNC(=O)c1ccc(F)cc1Cl)c1ccc(Cl)c(Cl)c1 40130327 XSIPCVUCHZBQFD-SNVBAGLBSA-N 417.695 4.783 0 40 HJAB Cc1nccn1-c1ccc(CNC(=O)c2[nH]c3ccc(F)cc3c2Cl)cc1F 58357862 QDZCONZRTYIWLE-UHFFFAOYSA-N 400.816 4.524 0 40 HJAB C[C@@H]1c2[nH]c3ccccc3c2CCN1S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 66001206 HQRDCYHBKLRWLQ-LLVKDONJSA-N 412.408 4.634 0 40 HJAB COc1cc(OC)cc(-n2c(SCc3cccc(F)c3)nc3ccccc3c2=O)c1 67258638 IWCNKCPXRLLBQC-UHFFFAOYSA-N 422.481 4.834 0 40 HJAB CC(=O)N1CCCCC[C@H]1C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 69770138 JQHVYOCUVWWBHI-KRWDZBQOSA-N 403.876 4.761 0 40 HJAB CCCN(CCOc1ccccc1OC)Cc1nnc(-c2ccccc2Cl)o1 72308188 HKSIBYUQIJLPHR-UHFFFAOYSA-N 401.894 4.690 0 40 HJAB O=C(Nc1nccs1)c1cccc([C@@H]2CCCN2Cc2cccc3ncccc23)n1 72354393 OBWNSNGPWYROSM-NRFANRHFSA-N 415.522 4.676 0 40 HJAB CN(C)c1cccc(C(=O)N2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)c1 72361046 UVMSFVCPPANWKQ-HXUWFJFHSA-N 403.501 4.974 0 40 HJAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C)cc2C)C12CCCCC2 72401143 ZCMLLAFESKXSDN-QHCPKHFHSA-N 420.553 4.831 0 40 HJAB CC(C)(C)C1=NN(S(=O)(=O)c2ccccc2)[C@H](c2cccc(Br)c2)C1 95116629 VIMOHKNKFMNIAI-KRWDZBQOSA-N 421.360 4.987 0 40 HJAB O=C(COc1cc(Cl)cnc1Br)Nc1cccc(C(F)(F)F)c1 95459949 HTXOVTRYSLRZAD-UHFFFAOYSA-N 409.589 4.534 0 40 HJAB O=C(Cc1ccc(Cl)cc1)N1CC2(CCN(Cc3cccc(Cl)c3)CC2)C1 96203007 AZSUMCGVFNAINW-UHFFFAOYSA-N 403.353 4.661 0 40 HJAB C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)o1)[C@H]1C[C@@H]2CC[C@@H]1C2 102420611 OIWJNXFQILPYHM-ZAPJKBGESA-N 410.543 4.639 0 40 HJAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2OC(F)F)C[C@@H](c2ccccc2O)C1 102623077 CGDBLYUBLXMCFQ-ODXCJYRJSA-N 424.407 4.650 0 40 HJAB CCN(C(=O)Nc1ccc(NC(=O)OC)cc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 107076445 SAMLGIHCWFIGND-DYESRHJHSA-N 410.518 4.554 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 222498817 HBJAJOIVPYDRDS-QFIPXVFZSA-N 414.977 4.913 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 224311617 XSHOXPHLNPEFTD-FQEVSTJZSA-N 418.990 4.684 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 224948080 IAVWXWSXHUYMLM-INIZCTEOSA-N 421.368 4.870 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 225219035 NNGGHCSHLAAFFL-NRFANRHFSA-N 400.950 4.525 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 225491238 SCHZCUZZBMCITQ-LAUBAEHRSA-N 400.950 4.605 0 40 HJAB Cc1ccccc1OC[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225586489 SKCNIPHJPRTUOA-QGZVFWFLSA-N 418.940 4.583 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(N2CCCC2=O)cc1 225679461 SXHMYGJYCCLYIQ-LJQANCHMSA-N 409.555 4.711 0 40 HJAB Cc1nn(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C)c1-c1ccccc1 238826850 DYOFULISHNKEJG-UHFFFAOYSA-N 411.933 4.794 0 40 HJAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1cccc(F)c1F 257314116 UVKCUNZZGDFTDC-NRFANRHFSA-N 424.495 4.687 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)c1 257341990 ZMQNEJHGWXCWHZ-LJQANCHMSA-N 424.928 4.876 0 40 HJAB Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 260752924 AINGBCIQLFNDAV-XMDBHEJHSA-N 419.506 4.938 0 40 HJAB Cc1cccc(CN2C(=O)N/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C2=O)c1 409237057 VKOXWNVWKHWFTR-OEAKJJBVSA-N 416.452 4.806 0 40 HJAB Cc1c(C=O)c(-c2nc(O)c3ccccc3n2)c(C)n1-c1ccc(Br)cc1 409250635 MGYJXVFIYDSECE-UHFFFAOYSA-N 422.282 4.985 0 40 HJAB COc1cccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)CC(F)(F)F)c1 585105830 RMKRYQCXTZNWHL-UHFFFAOYSA-N 405.416 4.709 0 40 HJAB CC(C)(C)OC(=O)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)nn34)n2)C1 2037843581 FNZMOFONYXGAOS-CQSZACIVSA-N 413.909 4.559 0 40 HJAB CCOC(=O)c1ccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 1326493 CGUGPVUPPXPAPK-UHFFFAOYSA-N 409.511 4.885 0 40 HJAB CCCc1nc(SCC(=O)NCc2ccc(OC)cc2)c2c(C)c(C)sc2n1 1372219 BOOZGBQGMFIBMZ-UHFFFAOYSA-N 415.584 4.678 0 40 HJAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1cccc(Cl)c1Cl 3240298 QEBSELILXMTBRT-UHFFFAOYSA-N 409.294 4.718 0 40 HJAB COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)c1OC 4079146 OZFPGBIYIKZKSX-UHFFFAOYSA-N 415.902 4.542 0 40 HJAB Cc1ccc2nc(NC(=O)CSc3ccc(-c4ccc(F)cc4)nn3)sc2c1 4356413 MFRIVEVFCIPYHX-UHFFFAOYSA-N 410.499 4.932 0 40 HJAB COc1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)c(OC)c1 5274736 WWHQWGJOOZBLBF-BLVKFPJESA-N 400.544 4.770 0 40 HJAB CC(C)OC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCCC2 5481866 TZNLUPUWEKFBLT-UHFFFAOYSA-N 401.484 4.563 0 40 HJAB C[C@@]1(N2CCCCC2)[C@@H](O)c2cc(Br)ccc2O[C@@H]1c1ccccc1 5531095 PDCAUFHRAKNQNX-PWRODBHTSA-N 402.332 4.861 0 40 HJAB Cc1ccccc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21 7616049 RIZGKAJGOJXDJM-UHFFFAOYSA-N 403.869 4.664 0 40 HJAB COc1ccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccccc3)n2)cc1 8571854 KVDUSVDDKVRCQH-UHFFFAOYSA-N 419.510 4.555 0 40 HJAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(C)C)cc2)C1=O 9234031 KHTNBYGPIJPXIL-UDWIEESQSA-N 424.522 4.705 0 40 HJAB Cc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(Cl)cc4)n3)c2C)cc1C 9638200 ZAXVITKTSGGBBR-UHFFFAOYSA-N 424.917 4.617 0 40 HJAB Cc1c(C(=O)OCC(=O)Nc2ccc(F)cc2F)oc2ccc(Br)cc12 9664842 IDFGKDCXUFJPSJ-UHFFFAOYSA-N 424.197 4.577 0 40 HJAB COc1ccccc1[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccccc2C)c2ncnn21 10060396 AEDQBAXMGQOVCJ-DHIUTWEWSA-N 424.504 4.976 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 10139668 ATZAERAJYBBRSF-UHFFFAOYSA-N 411.933 4.956 0 40 HJAB Cc1ccc2c(C)nc(Nc3ncc4c(n3)C[C@H](c3cccs3)CC4=O)nc2c1 10157483 QSVKRWOUPVPFBY-AWEZNQCLSA-N 401.495 4.754 0 40 HJAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cc(C)ccc1C 11119766 NVVRVDDRBSSIMY-UHFFFAOYSA-N 420.534 4.680 0 40 HJAB O=C(NCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1)c1ccco1 11667232 GBDHSIDLLUWDIJ-UHFFFAOYSA-N 409.873 4.682 0 40 HJAB CC(C)n1ncc2c(C3CCN(Cc4ccncc4)CC3)cc(C(F)(F)F)nc21 12132113 AQBHESBEPMXSEW-UHFFFAOYSA-N 403.452 4.806 0 40 HJAB Cc1cnc(-c2nc(C3CCN(Cc4c(Cl)cccc4Cl)CC3)no2)cn1 12187334 BGFAGJZAEPMICV-UHFFFAOYSA-N 404.301 4.521 0 40 HJAB CCc1ccc([C@H](C)NC(=O)c2oc3ccccc3c2CSc2ncn[nH]2)cc1 12776349 DONCLAQJEVIQSF-AWEZNQCLSA-N 406.511 4.897 0 40 HJAB Fc1ccc(OCc2noc(CN3CCc4sccc4[C@H]3c3ccccc3)n2)cc1 12867882 GBGJVMNURZQFQQ-HSZRJFAPSA-N 421.497 4.997 0 40 HJAB CC(=O)Nc1cccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)c1 12901368 UEWUVOMQJDSOJP-UHFFFAOYSA-N 418.449 4.686 0 40 HJAB biogenic O=C(NCc1cccnc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 13955754 BJIXCSBMOCOXPS-UHFFFAOYSA-N 418.294 4.989 0 40 HJAB Cc1cccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)cc2)c1 14009829 XQWLRLZNFUAORS-OEAKJJBVSA-N 416.452 4.806 0 40 HJAB O=C(c1ccccc1OC(F)F)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 14498438 GFLUGHOOROPMPI-ZDUSSCGKSA-N 404.438 4.724 0 40 HJAB CCOC(=O)c1ccc(Nc2c(-c3ccc(O)c(OC)c3)nc3ccc(C)cn23)cc1 15414436 OJZGVMHFEARSFV-UHFFFAOYSA-N 417.465 4.944 0 40 HJAB CCN(CC)C(=O)c1cccc(NC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)c1 15768252 VLMFKFYUPDTSKD-FOCLMDBBSA-N 416.525 4.623 0 40 HJAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nnc(-c4cc(C)cc(C)c4)o3)ccc21 16132861 HVHQNSXCDGCRQX-OAHLLOKOSA-N 421.522 4.626 0 40 HJAB COC(=O)c1ccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccc(O)cc23)cc1 16217384 ZUISORGMPOFCNH-NJNXFGOHSA-N 401.418 4.833 0 40 HJAB biogenic CCc1nc2sc([C@@H](c3ccc(C(F)(F)F)cc3)N3CCC[C@@H](C)C3)c(O)n2n1 16690049 FBNLDIQREBTOAP-MLGOLLRUSA-N 424.492 4.899 0 40 HJAB Cc1cc(NC(=O)COc2ccccc2F)n(-c2nc(-c3cccs3)cs2)n1 17012024 PNQWTOHXFMHHKH-UHFFFAOYSA-N 414.487 4.522 0 40 HJAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2Cc2ccc(F)cc2)c1 19690451 JTPSVZMECZYTQM-JOCHJYFZSA-N 406.505 4.694 0 40 HJAB O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(CCc2ccccn2)CC1 19901954 HBWCPZLSYAMRLN-UHFFFAOYSA-N 420.365 4.604 0 40 HJAB Brc1ccc(-c2n[nH]c(SCc3nnc(-c4ccccc4)o3)n2)cc1 19927768 LFAYHTKCOBWHFU-UHFFFAOYSA-N 414.288 4.577 0 40 HJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 20460247 YLBWYYMMHPJQLP-JOCHJYFZSA-N 400.950 4.771 0 40 HJAB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc(OC3CCCC3)cc1)SCC(O)=N2 20737928 MPFDXNXLRBNWIX-FQEVSTJZSA-N 421.526 4.716 0 40 HJAB CSc1ccc(Cl)c(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)c1 27933311 VGYOKPOKVZLCFM-UHFFFAOYSA-N 417.884 4.975 0 40 HJAB Cc1cccc(CSc2nnc(Nc3ccc(C)cc3C)c(=O)n2-n2cccc2)c1 28535097 IKBXUGBXJQGPOM-UHFFFAOYSA-N 417.538 4.712 0 40 HJAB O=C(Nc1ccccc1-c1ccccc1)C1CCN(C(=O)NCc2ccco2)CC1 32913026 KWRQMZCNYKAVKT-UHFFFAOYSA-N 403.482 4.507 0 40 HJAB CCOc1ccc(-c2csc(-c3cc(NC(=O)Cc4cccs4)n(C)n3)n2)cc1 35683055 GFRDCBYGTOTLER-UHFFFAOYSA-N 424.551 4.852 0 40 HJAB Cc1ccc(-c2nnc(-c3nc(-c4ccccc4)oc3N3CCOCC3)s2)cc1 41154361 REONDNHNLHUVBN-UHFFFAOYSA-N 404.495 4.672 0 40 HJAB CCN(C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)c1cc(C)ccc1C 45517295 OXVPDHUXZJVQFG-UHFFFAOYSA-N 411.505 4.978 0 40 HJAB C[C@@H]1CCCN(c2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3ccccc23)C1 49421520 QOXMLUJAMAFJDY-OAHLLOKOSA-N 400.931 4.957 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@H](c1ccccc1)c1cccs1 57383199 WCHUHELPOFUUPW-XMMPIXPASA-N 416.550 4.868 0 40 HJAB Cc1ccc2nc([C@@H]3CCCN3C(=O)c3nn(-c4ccccc4)c4c3CCC4)[nH]c2c1 58297611 ALKSHDLNJSUQGJ-QFIPXVFZSA-N 411.509 4.523 0 40 HJAB CN(CCCC(=O)N1CCC[C@@H](c2n[nH]cc2-c2ccccc2)C1)c1ccccc1 72380420 IFFOGJNZTMFXIZ-OAQYLSRUSA-N 402.542 4.699 0 40 HJAB Cc1cc(NC(=O)[C@@H](Sc2nc3cc(Cl)ccc3n2C)c2ccccc2)no1 84119879 UJTKGMCEKLTQPG-SFHVURJKSA-N 412.902 4.995 0 40 HJAB O=S(=O)(c1ccccc1OC(F)(F)F)N(Cc1ccsc1)Cc1ccco1 96120268 NQQNUYILUYIWRW-UHFFFAOYSA-N 417.430 4.631 0 40 HJAB CCN1c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C(=O)N2CCCC[C@H]21 97944093 NBDUCGYFFAKBGL-IBGZPJMESA-N 417.431 4.750 0 40 HJAB C[C@H](C(=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1)c1ccccc1 100738930 CCWQLVISIOYEQX-CNNODRBYSA-N 400.526 4.732 0 40 HJAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 102109360 WIMYKXAZBWDPMF-UHFFFAOYSA-N 422.978 4.895 0 40 HJAB O=C(c1ccccc1C(F)(F)F)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207013941 DKIWFPOFGJVHNZ-CYBMUJFWSA-N 421.444 4.912 0 40 HJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 219390082 ZQVYTALLUYNYHW-KRWDZBQOSA-N 401.919 4.886 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 223256121 MBFAUOJRESIJLX-QHCPKHFHSA-N 408.586 4.876 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C 223745083 SZPBTAKDOQPRGD-HSZRJFAPSA-N 424.585 4.714 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccccc3C)c2)cc1 223959307 FGBIDAAIYRFPPE-SFHVURJKSA-N 408.523 4.595 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 224199357 RUYRNWZRWMSKKW-QHCPKHFHSA-N 424.610 4.953 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 224616741 FIAXCRBPRABMGP-DEOSSOPVSA-N 408.586 4.816 0 40 HJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2)c(Cl)c1Cl 224627682 GIBTUOQEGQYYMW-UHFFFAOYSA-N 414.232 4.846 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)N[C@@H](C)CC)cc1 225044690 KPTFBEAHJMZNNC-SFTDATJTSA-N 408.586 4.822 0 40 HJAB CN(C)c1cc([C@@H]2CCCN2C(=O)c2cccc(OCc3cccc(F)c3)c2)ccn1 257221609 DPVKHLCZRVEBHW-QHCPKHFHSA-N 419.500 4.843 0 40 HJAB CCCc1s/c(=N\C(=O)c2ccc(OC)c(OC)c2)n(CC)c1-c1ccccc1 408564500 YWPPEJVYAGXCLR-VHXPQNKSSA-N 410.539 4.947 0 40 HJAB Cc1ccc(NCN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)cc1 408719725 PPBFAPQVCSQOAM-MHWRWJLKSA-N 403.301 4.863 0 40 HJAB CN(C(=S)Oc1ccc(C(=O)Nc2ccc3nccnc3c2)cc1)c1ccccc1 408976955 UAPCNBROHDQNSH-UHFFFAOYSA-N 414.490 4.682 0 40 HJAB COc1cc(CNc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccccc1 409176086 GYKLRTXVESOFOY-UHFFFAOYSA-N 403.887 4.728 0 40 HJAB CCc1s/c(=N\C(=O)c2cccc(Br)c2)n(C)c1-c1ccccc1 409200459 SJLKIHPDIZFTJH-VZCXRCSSSA-N 401.329 4.820 0 40 HJAB Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)N[C@@H](C)[C@@H]1CCCOC1 504861162 IVDSIZHEJZCVOA-DZGCQCFKSA-N 417.347 4.728 0 40 HJAB O=C(c1cccc(Oc2ccc(Cl)c(Cl)c2)n1)N1CCC(c2ncc[nH]2)CC1 511513843 LYWQKNAKLSBGPJ-UHFFFAOYSA-N 417.296 4.924 0 40 HJAB CC1(C)CC[C@H]2C[C@H](NC(=O)Nc3cccc(N4CCNC4=O)c3)c3cccc1c32 538437450 BNHMMOQWEHXMEW-YWZLYKJASA-N 404.514 4.638 0 40 HJAB Cc1cccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c1C 918238 IROMZJLIKANESG-UHFFFAOYSA-N 400.360 4.877 0 40 HJAB CCOc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NCc2ccc(C)cc2)cc1 1328605 VCVIIVJRWJSVHL-OAQYLSRUSA-N 409.507 4.670 0 40 HJAB Cc1oc2cc(OC(=O)N(C)C)ccc2c(=O)c1-c1ccc(Br)cc1 2445345 RNSSRSQIUPVXCT-UHFFFAOYSA-N 402.244 4.591 0 40 HJAB biogenic COc1cc(CN(C)CC(=O)Nc2ccc(C(C)(C)C)cc2)ccc1OC(F)F 2654667 QGTJHIVXGHHAPU-UHFFFAOYSA-N 406.473 4.665 0 40 HJAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccccc1C(F)(F)F 3254930 MJIVNCMTTQTZDN-UHFFFAOYSA-N 409.379 4.838 0 40 HJAB CCc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2OC)cc1 4518149 JHZASUZJCQQCPJ-UHFFFAOYSA-N 419.529 4.814 0 40 HJAB Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1cccc(Cl)c1 4585443 LGVQZJDPJIVRIZ-UHFFFAOYSA-N 403.869 4.908 0 40 HJAB O=C(CCCc1c[nH]c2ccccc12)O[C@@H](C(=O)N1CCCCC1)c1ccccc1 5459639 WILNHCTZISWCDV-XMMPIXPASA-N 404.510 4.788 0 40 HJAB CC(C)COc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 6327269 PQRIFBRKBAEWES-UHFFFAOYSA-N 414.461 4.774 0 40 HJAB CCCCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 7262168 GYQNTQLBGBZLAZ-UHFFFAOYSA-N 406.317 4.971 0 40 HJAB CC(C)c1ccc([C@@H](NC(=O)CSc2nncn2-c2ccccc2)C(C)C)cc1 8211212 DVNYUASJZSDIBJ-QFIPXVFZSA-N 408.571 4.996 0 40 HJAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(OC(F)(F)F)cc1 8237195 NMASZOPJZSVPAZ-UHFFFAOYSA-N 416.403 4.822 0 40 HJAB COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3)[C@H]2c2ccccc2)cc1 8270345 INTTUGGCOTZNQG-LADGPHEKSA-N 400.478 4.818 0 40 HJAB Cc1cc(C)cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C)c(Cl)c2)c1 8433505 OHVPLYFAFRSCTK-UHFFFAOYSA-N 416.905 4.556 0 40 HJAB COc1ccc(-c2cc(=O)c3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3o2)cc1 9572633 XWAAUCHKGRERBN-UHFFFAOYSA-N 421.474 4.578 0 40 HJAB biogenic Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O 10335665 FRRRSOXETRWMSE-MRXNPFEDSA-N 422.978 4.873 0 40 HJAB CC(=O)c1ccc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 10728720 GYUYZDAYNAHGAK-UHFFFAOYSA-N 424.280 4.537 0 40 HJAB O=C(CCSCc1cn2ccccc2n1)NC(c1ccccc1)c1ccccc1 12539882 XOIBHGSBGPRZAI-UHFFFAOYSA-N 401.535 4.863 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cc(Br)ccc2OC)cc1 12889825 LBAWICMDSBCCRZ-UBIUBJKMSA-N 416.315 4.843 0 40 HJAB CCCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2sc3c(c2c1=O)CCC3 13009278 BZGNPAPXKGADKB-LLVKDONJSA-N 404.561 4.716 0 40 HJAB CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O 13041829 AACXFLUYAOZLFJ-RUZDIDTESA-N 422.525 4.553 0 40 HJAB COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccccn4)ccc3c2C)c1 13691759 RFWUSNKOJMKNAK-UHFFFAOYSA-N 416.433 4.637 0 40 HJAB biogenic CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1ccc2nccnc2c1 13810918 ASUQTPYTNSLFDG-UHFFFAOYSA-N 405.465 4.619 0 40 HJAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14400789 FBXYLGOQTZXFOV-INIZCTEOSA-N 402.922 4.845 0 40 HJAB Cc1cc(C)cc(OCCOC(=O)c2ccccc2C(=O)N(C)c2ccccc2)c1 15354866 VDEROFVIXAHXHZ-UHFFFAOYSA-N 403.478 4.816 0 40 HJAB Cc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2cccc(C(F)(F)F)c2)cc1 16311575 SDYNTNUMKPFPCF-UHFFFAOYSA-N 422.414 4.991 0 40 HJAB CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(C3SCCCS3)cc2)on1 17181561 XOOLDNLMSIZICF-UHFFFAOYSA-N 420.556 4.636 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccc(CN2CCCC2)c1 19718278 MQWBCGSSQFPJFY-UHFFFAOYSA-N 409.917 4.829 0 40 HJAB C[C@H]1Oc2ccc(-c3csc(NC(=O)CCC4CCCCC4)n3)cc2N(C)C1=O 19796660 KWZUOLWQRRFBRK-CQSZACIVSA-N 413.543 4.853 0 40 HJAB Cc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c(C)c1 19946810 YOQDMGLKSSCNHB-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB Cc1ccc(-n2nc(-c3ccc(N)cc3)c3cc(C(=O)c4ccccc4O)cnc32)cc1 20086263 SBPZVMOSFVDUGT-UHFFFAOYSA-N 420.472 4.915 0 40 HJAB C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)c1ccc(C(C)(C)C)cc1 20111036 FFFWTPQIGULVPE-ZDUSSCGKSA-N 408.951 4.500 0 40 HJAB COc1cc2c(cc1OC)CN(C(=O)c1ccc3nc(C(F)(F)F)sc3c1)CC2 20426834 PEJUNKSXIGNHCD-UHFFFAOYSA-N 422.428 4.531 0 40 HJAB Cc1ccc(N2C(=O)c3ccccc3N[C@]23C(=O)N(CC(C)C)c2ccccc23)cc1 20636572 OAOZATYQBFUKDW-SANMLTNESA-N 411.505 4.923 0 40 HJAB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccccc2C)n2c1nc1ccccc12 20675872 OHOJNZLHXQFCCK-FCHUYYIVSA-N 419.525 4.650 0 40 HJAB c1ccc(CNc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)cc1 22341327 YGUCCXSERKPBLE-UHFFFAOYSA-N 422.579 4.864 0 40 HJAB Cc1nc2sc([C@H](c3ccccc3Cl)N3CCc4ccccc4C3)c(O)n2n1 22627435 QNGNXPGDEMBUJW-SFHVURJKSA-N 410.930 4.606 0 40 HJAB CN(Cc1cnn(C)c1)c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 24585977 GNKZPHYJNOGJLP-UHFFFAOYSA-N 412.522 4.790 0 40 HJAB O=C(c1ccccc1OCc1cn2ccccc2n1)N1CC=C(c2ccccc2)CC1 31110838 NAXYTOCXBMIAQB-UHFFFAOYSA-N 409.489 4.843 0 40 HJAB O=C(O)c1sc2c(c1-c1ccc(Cl)cc1)N=C(O)C[C@]21C(=O)Nc2ccccc21 32092625 LLXZFPGOLUIKKL-OAQYLSRUSA-N 424.865 4.997 0 40 HJAB CC[C@@H]1c2cc(OC)c(OC(C)=O)cc2[C@@H](c2ccc(OC(C)=O)c(OC)c2)[C@@H]1C 34781653 BRYNFIBJEKWEEG-BZLMUUGBSA-N 412.482 4.830 0 40 HJAB O=C(c1ccc(Cl)cc1)C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 35312231 JVFWTDOYWXWVRF-UHFFFAOYSA-N 400.950 4.913 0 40 HJAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1SC[C@@H]1CCCO1 40013516 XBDVXWBEOUGWJM-UNMCSNQZSA-N 410.583 4.525 0 40 HJAB CCCc1ccc([C@H](NC(=O)c2cnc3ccc(C)cn3c2=O)c2cccs2)cc1 40059865 PRDRQHOHNSLRDF-QFIPXVFZSA-N 417.534 4.536 0 40 HJAB CC(C)c1cccc(C(C)C)c1NC(=O)NCc1cccc(NS(C)(=O)=O)c1 40096265 JERIIMUUWRXLTN-UHFFFAOYSA-N 403.548 4.627 0 40 HJAB CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)C(=O)Nc1cccc(Cl)c1 40155868 BJWMKSJUCDLNTB-UHFFFAOYSA-N 400.885 4.976 0 40 HJAB Cc1cc(-n2nnc(C(=O)OCc3ccccc3Cl)c2C)ccc1Br 46914093 MHUKLPZNLAMSMQ-UHFFFAOYSA-N 420.694 4.657 0 40 HJAB CCOc1ccc(-c2csc(-c3nnn(-c4ccc(F)c(Cl)c4)c3N)n2)cc1 49421765 GIMRMXRQSQNVSE-UHFFFAOYSA-N 415.881 4.831 0 40 HJAB CCCCOc1ccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1 57315591 KCUSVBPGSUROTR-UHFFFAOYSA-N 407.499 4.592 0 40 HJAB C[C@H]1CN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)C[C@@H](c2ccccc2)O1 62515319 QQOMUWDGBLWIFL-YWZLYKJASA-N 412.436 4.541 0 40 HJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cc(F)cc(F)c3)oc12 67295903 QCGOVUUCRNEKAL-CLCOLTQESA-N 413.405 4.661 0 40 HJAB O=C1c2ccccc2CC[C@@H]1[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 72193912 ZYAYJMIHRVQVMD-CPJSRVTESA-N 417.892 4.520 0 40 HJAB COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)c1 72359165 MRCKAOZZEOPXAT-JOCHJYFZSA-N 415.537 4.881 0 40 HJAB O=C(Nc1cc(F)c(F)c(F)c1)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 78870054 PUPUSJHNPFKFEW-FQEVSTJZSA-N 412.411 4.533 0 40 HJAB CN(Cc1cccc(C(F)(F)F)c1)C1CCN(Cc2cnc(Cl)s2)CC1 83864130 CVWJJRJVPGRFGW-UHFFFAOYSA-N 403.901 4.912 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N(C)C[C@H]1COc2ccccc2O1 84064719 AJVLIMHZMDNDLD-AWEZNQCLSA-N 414.914 4.684 0 40 HJAB Cc1ccc2cccc(C(=O)NC3(c4noc([C@H]5CCCO5)n4)CCCCCC3)c2n1 89665950 CAXDIGUSGHQRJA-LJQANCHMSA-N 420.513 4.757 0 40 HJAB O=c1c(Cl)c(N[C@@H]2CCSc3c(F)cccc32)cnn1-c1ccc(F)cc1F 89800209 GMVUAISECXCJAK-CQSZACIVSA-N 423.847 4.952 0 40 HJAB O=C(Nc1ccc(F)cc1)c1nnc(CN(C2CC2)[C@@H]2CCc3ccccc32)s1 89858135 NEMYMRZSECLTDU-LJQANCHMSA-N 408.502 4.581 0 40 HJAB COc1ccc(OC)c(NC(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)c1 96315519 UJFGCLCTKVUARA-UHFFFAOYSA-N 423.469 4.809 0 40 HJAB N=c1c2c(ncn1CCCn1ccnc1)Oc1c(ccc3ccccc13)[C@H]2c1ccco1 101350711 MRNNSJKHGBTYGZ-NRFANRHFSA-N 423.476 4.681 0 40 HJAB Cc1cc(Br)cc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 103716494 WWGXNPKSYYUYQO-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccc(Br)cc2)cc1 103763159 FGBVKXWLWDKMKY-BIPCEHGGSA-N 410.267 4.553 0 40 HJAB COc1ccccc1N(C(C)=O)c1nc(COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cs1 104270812 GWKCRZMAMVFWFZ-ULQDDVLXSA-N 414.527 4.706 0 40 HJAB CCc1ccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 165157043 MRNGIHBBWYLSST-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C 222670695 BTGQPNKILNWZKS-JOCHJYFZSA-N 414.977 4.852 0 40 HJAB CC(C)c1ccccc1OCCNS(=O)(=O)Cc1ccc(Cl)cc1Cl 223778082 SAZDQOUIZOVDOR-UHFFFAOYSA-N 402.343 4.615 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1NC(=O)C(C)C 225006051 PHJYPQXZVPFRMU-UHFFFAOYSA-N 412.964 4.766 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)N[C@@H](C)CC)cc1 225374351 AISSRBPOBQMEFZ-VQTJNVASSA-N 424.585 4.522 0 40 HJAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225501299 XOFTWFGMANLVMS-OAQYLSRUSA-N 411.571 4.896 0 40 HJAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1cc(C(F)(F)F)ccc1Cl 225723329 VVCPGPXWPWSMEH-UHFFFAOYSA-N 415.198 4.966 0 40 HJAB Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1N1CCC[C@@H](C)C1 226330443 SALGCWJEMRVQSL-CYBMUJFWSA-N 402.336 4.828 0 40 HJAB O=C(c1nccc2ccccc12)N1CCC[C@@]2(C[C@@H](Oc3cccc(Cl)c3)CO2)C1 257269567 MQMYLWOIYSBVME-HYBUGGRVSA-N 422.912 4.731 0 40 HJAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OCC[C@@]31C2 257284511 PCYKQIVXXPNEOU-URWILZMRSA-N 401.547 4.503 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2C(C)C)cc1 408596779 UQYXAWSXHLWZQV-UHFFFAOYSA-N 407.333 4.708 0 40 HJAB O=C1N[C@H](c2cccc(Br)c2)Nc2c1sc(=S)n2-c1ccccc1 408735177 LBNVMHPKDMWYLJ-CQSZACIVSA-N 418.341 4.885 0 40 HJAB CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2)C1=O 408817979 XJHLIJKXRUTTLZ-YBEGLDIGSA-N 404.285 4.694 0 40 HJAB CCOc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccc(Cl)cc2)cc1 408842242 JMGPIALDEMCZFL-RCCKNPSSSA-N 403.869 4.968 0 40 HJAB CCC(CC)C(=O)Nc1ccc(C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 524731781 KLHZOSIDWUWTNQ-FQEVSTJZSA-N 424.541 4.570 0 40 HJAB biogenic CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cc3cc(C)ccc3[nH]2)ccn1 530695727 GEJJQPUQVMHVMK-UHFFFAOYSA-N 414.465 4.584 0 40 HJAB CC(=O)c1ccc(N2C(=O)C[C@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1 800296 PBJBGBORQXOSOT-ZMNABIIRSA-N 416.521 4.527 0 40 HJAB Cc1ccc(C)c(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 835086 CODIVWYUHUINTF-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB Cc1cc(S[C@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)nc(C(C)C)n1 854969 UWCSJHBRRDCZOY-QHCPKHFHSA-N 405.523 4.640 0 40 HJAB COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OCc1cccc(F)c1 997247 QCJFZHUHQVPNBT-NDENLUEZSA-N 421.399 4.897 0 40 HJAB O=C(Nc1ccc(Cl)cc1)Nc1ncn(-c2ncc(C(F)(F)F)cc2Cl)n1 1405137 IPQKDDGRJANOMX-UHFFFAOYSA-N 417.178 4.632 0 40 HJAB CCN(CC)c1ccc(C[C@H]2c3ccccc3CN3c4ccccc4C(=O)N[C@H]23)cc1 1788270 MHYKHABQBMXVEA-AHWVRZQESA-N 411.549 4.949 0 40 HJAB COc1ccc(NCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)cc1 2887780 YVUVKEADZJXEFW-UHFFFAOYSA-N 403.507 4.946 0 40 HJAB COc1cc(CCC(=O)Nc2ccccc2Cc2ccccc2)cc(OC)c1OC 3332678 AUBSOHHHFZPLAB-UHFFFAOYSA-N 405.494 4.875 0 40 HJAB O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)c1c(-c3cc4ccccc4s3)ccc(=O)n1C2 4237405 IREFZUGCJPJDOS-DOTOQJQBSA-N 416.502 4.583 0 40 HJAB biogenic,in-vitro COc1ccc(-n2c(SCCOc3ccc(C)cc3)nnc2-c2ccncc2)cc1 4509703 FSFPAGSNUWHNIY-UHFFFAOYSA-N 418.522 4.817 0 40 HJAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc(I)c1 4798121 OQHYIUOVSAXBHE-UHFFFAOYSA-N 414.246 4.529 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)N(C(=O)CC(C)C)c3ncnn32)cc1 4816772 UBRWMZYVDYHFOL-YADHBBJMSA-N 404.514 4.709 0 40 HJAB CCc1cccc2cc3c(N)c(C(=O)Nc4cccc(C(=O)OC)c4)sc3nc12 5000285 LVSJCMUXTDHDPP-UHFFFAOYSA-N 405.479 4.633 0 40 HJAB CN(C)CCN(C(=O)c1ccc2ccccc2c1)c1nc2c(F)cc(F)cc2s1 5121752 ACXGEEYIMZWAPF-UHFFFAOYSA-N 411.477 4.936 0 40 HJAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 5456393 LWZGWKBAFXLCTB-LBPRGKRZSA-N 402.422 4.581 0 40 HJAB CCCCc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1 6429850 HWHACDGQNQBJQY-UHFFFAOYSA-N 420.465 4.670 0 40 HJAB CCOc1ccc(C(=O)c2cn(Cc3cccc(OC)c3)c3ccccc3c2=O)cc1 6736750 TYPNJSFRXYPGRE-UHFFFAOYSA-N 413.473 4.688 0 40 HJAB O=C(Nc1ccccc1)C1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 7073328 JBCPORVRJXZNOW-UHFFFAOYSA-N 400.478 4.970 0 40 HJAB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)c1ccc(OC(F)F)cc1 7313356 XRZUDOJVLRGJSV-UHFFFAOYSA-N 412.417 4.609 0 40 HJAB Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccccc5C)no4)c(=O)c23)cc1 7375507 XHPQXILMMXIQLG-UHFFFAOYSA-N 414.490 4.840 0 40 HJAB COc1ccc(-c2nc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)sc2C)cc1 8328071 PWRGEUZSOIIBKK-QGZVFWFLSA-N 400.887 4.723 0 40 HJAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 8429810 HSBLNVWAQHJUKF-UHFFFAOYSA-N 418.975 4.610 0 40 HJAB Cc1ccc(N(CCCC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1 8492246 ONTZGSRWLUOKAC-UHFFFAOYSA-N 402.560 4.612 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c(C)c1 8961473 GKERWVLMQXSEIC-UHFFFAOYSA-N 422.506 4.795 0 40 HJAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CCCN1C(=O)c1cccs1 9337317 LGFYVDOYLYJKPH-FQEVSTJZSA-N 424.497 4.601 0 40 HJAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 9592331 HPBHTXITDQABBE-UHFFFAOYSA-N 416.462 4.520 0 40 HJAB CCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](c1ccccc1O)C3 10156938 OHDFOSFJIKTKCN-AWEZNQCLSA-N 418.884 4.625 0 40 HJAB CCN(CC)CCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccccc1 10233158 FHDQPHOLZUCQHN-QHCPKHFHSA-N 418.537 4.687 0 40 HJAB COc1ccc(NC(=O)C(=O)NCCC(c2ccccc2)c2ccccc2)cc1Cl 10327031 MSYZVIJIDLNLKR-UHFFFAOYSA-N 422.912 4.626 0 40 HJAB CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O 11381293 CZZRVOBUWLVYLK-QFIPXVFZSA-N 409.873 4.742 0 40 HJAB Cc1nc(NC(=O)c2cccc3c2O[C@@H](C)[C@H]3C)sc1-c1nccn1C(F)F 12578260 DOMRHIQUYZYDOW-KOLCDFICSA-N 404.442 4.847 0 40 HJAB O=C(Nc1ccccc1N1CCCC1=O)c1ccccc1OCc1ccc(F)cc1 12874090 VUTZIPAIBMZLJJ-UHFFFAOYSA-N 404.441 4.784 0 40 HJAB Cc1ccc([C@H](NC(=O)NCc2ccccc2Cn2cccn2)c2cccs2)cc1 12971641 NUWSBYOPWIQNSE-QHCPKHFHSA-N 416.550 4.890 0 40 HJAB COCCCn1c(SCc2nc(C(C)(C)C)no2)nnc1-c1ccccc1Cl 13009869 ULXWTLAMXSGBKR-UHFFFAOYSA-N 421.954 4.608 0 40 HJAB COCCCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(Cl)cc1 13023684 WSRVYNPZUPGPIY-ZDUSSCGKSA-N 421.954 4.995 0 40 HJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(C)cc2C)cc1 13779021 MKTCJRDZURCFKV-HDYLNDSGSA-N 422.569 4.619 0 40 HJAB O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1 15175379 ARELYVUDHPKNDG-UHFFFAOYSA-N 404.554 4.903 0 40 HJAB Cc1cccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3Cc3ccc(Cl)cc3)n2)c1 15675606 GMZKGQLFGUQCOL-FQEVSTJZSA-N 405.889 4.721 0 40 HJAB biogenic,in-vitro O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1sc2ccccc2c1Cl 15999647 NMBWPYRRQFNADY-UHFFFAOYSA-N 401.843 4.803 0 40 HJAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 16044150 GKWTXLWXSNAZJY-UHFFFAOYSA-N 423.321 4.551 0 40 HJAB COc1ccc([C@H]2CN(C(=O)C3CCC3)[C@@H]3CCN(Cc4cccc(C)c4)C[C@H]23)cc1 19235053 OEGZIQMSWAOUEA-TWJOJJKGSA-N 418.581 4.620 0 40 HJAB Cc1ccc(Cc2ccc([C@@H]3CN(Cc4c(C)nn(C(C)C)c4C)CCO3)nc2)cc1 19692289 IOFYOVBXUWONAT-SANMLTNESA-N 418.585 4.949 0 40 HJAB Cc1nc([C@@H]2CCCCN2Cc2ccncc2)ncc1C(=O)Nc1ccc(Cl)cc1 19754177 OFQPNFLFJYUSOW-NRFANRHFSA-N 421.932 4.813 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)c1 19929287 OPGCBOIFMZLPMT-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB COc1ccc(C(=O)C[C@@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 19944797 VYQPIHYFOPYIPX-VWLOTQADSA-N 418.512 4.971 0 40 HJAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3C)n[nH]2)cc1Br 20195626 RVPSAQUEJPZZKD-UHFFFAOYSA-N 417.332 4.582 0 40 HJAB Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)Nc1ccccc1 22529607 HIGNFLPJCHFYCB-QFIPXVFZSA-N 420.534 4.603 0 40 HJAB C[C@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cn1 28804139 RTSXTCFGEBMXOC-OXJNMPFZSA-N 418.928 4.965 0 40 HJAB Cc1ccc(Cn2ncc3c2N=C(O)C[C@]32C(=O)Nc3ccc(C(C)C)cc32)cc1 32094886 FULVCMCMTCSIFG-XMMPIXPASA-N 400.482 4.593 0 40 HJAB O=C(c1ccc2ccccc2c1O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 32727090 IEBAGORCCMPPOT-UHFFFAOYSA-N 400.400 4.527 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)c1 33012719 DXYLCKSRYGSWGH-UHFFFAOYSA-N 401.422 4.673 0 40 HJAB O=C(NCc1ccco1)[C@H](c1ccco1)N(C(=O)c1cccs1)c1ccc(F)cc1 35315065 VIOMHFWNGUVRSM-FQEVSTJZSA-N 424.453 4.778 0 40 HJAB Cc1ccc(-c2csc3c(=O)n(CC(=O)Nc4ccc(C)c(F)c4)cnc23)cc1 38651693 WGKWEWFXEZPNBV-UHFFFAOYSA-N 407.470 4.520 0 40 HJAB Cc1ccc(-c2csc3c(=O)n(CC(=O)Nc4ccc(F)cc4C)cnc23)cc1 38651695 KMMMUJUHGOOHKC-UHFFFAOYSA-N 407.470 4.520 0 40 HJAB Cc1ccc(CN2CCC(C(=O)NCCSc3ccc(Cl)cc3)CC2)cc1 39767681 KMMBPKNOIRPGSM-UHFFFAOYSA-N 402.991 4.769 0 40 HJAB CCOc1cc(C(=O)N(C)Cc2ccc(F)cc2F)ccc1OCc1cccnc1 40069358 MEKKQEHEFPDCGZ-UHFFFAOYSA-N 412.436 4.610 0 40 HJAB O=C(CCOc1ccccc1-c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 40082044 WPNROPXBQLLVER-UHFFFAOYSA-N 404.485 4.610 0 40 HJAB CSc1ccccc1CN1CCC(CNC(=O)Nc2c(F)cccc2F)CC1 43991705 HPJNZJQEEUXTCG-UHFFFAOYSA-N 405.514 4.720 0 40 HJAB CC(C)Oc1cccc(CCCNC(=O)C2CCN(Cc3ccccc3F)CC2)c1 44916174 CXNWZBFJSSHWAW-UHFFFAOYSA-N 412.549 4.574 0 40 HJAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c(OC)c1 57316146 JELJOGUJBJMVIN-UHFFFAOYSA-N 410.857 4.862 0 40 HJAB COc1ccc(CN2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c(OC)c1 57774532 LYYGOLYVIXCCKV-UHFFFAOYSA-N 419.447 4.979 0 40 HJAB FC(F)(F)CNc1nnc(SCc2cc(Cl)c3c(c2)OCCCO3)s1 58342506 YEEBGZUNXBXMPE-UHFFFAOYSA-N 411.858 4.619 0 40 HJAB CCN1c2ccc(C(=O)NC3CCCCCCC3)cc2-c2ccccc2S1(=O)=O 65315082 GXPLCWSJGNLLPD-UHFFFAOYSA-N 412.555 4.725 0 40 HJAB O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1cccc(CN2CCCC2=O)c1 72310005 XIKNZOLXXAYMQA-UHFFFAOYSA-N 416.525 4.985 0 40 HJAB COCc1ccc(CN2[C@H]3CC[C@@H]2Cc2c3cnc3cc(-c4cccc(C)c4)nn23)o1 72336973 MMWHEIPUIIYTKV-JPYJTQIMSA-N 414.509 4.706 0 40 HJAB CCO[C@H](C)c1nc(Cn2nc(-c3ccc(Br)cc3)nc2C)cs1 95401595 GDBUDGOJPDZXKJ-LLVKDONJSA-N 407.337 4.618 0 40 HJAB CSc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1 96117742 ICPMPYFLXGEICV-WMLDXEAASA-N 403.573 4.915 0 40 HJAB CC(=O)Nc1ccncc1NC(=O)c1ccc(Oc2ccc(C(C)C)c(C)c2)nc1 97108189 MEYKNNOCRQQVMK-UHFFFAOYSA-N 404.470 4.911 0 40 HJAB CCOc1c(Br)cc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1OC 97987588 DEDHXIVUNXNALY-MHWRWJLKSA-N 416.271 4.509 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1F 98072968 JUTFSYPKSPKSES-UHFFFAOYSA-N 412.202 4.716 0 40 HJAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 100408101 MSQSPHQRIUZHIB-SANMLTNESA-N 414.549 4.916 0 40 HJAB C[C@]12CC[C@@H]3c4ccc(OC(=O)CCN5CCCCC5)cc4CC[C@@H]3[C@H]1CCC2=O 105366098 KBZHXUQCKRKJLU-VUMQFKOGSA-N 409.570 4.893 0 40 HJAB biogenic Cc1cc(C)c(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c(C)c1 222532379 CLGPGUXWUMHADV-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 223036444 UXOOPVZRGCHCFE-QFIPXVFZSA-N 416.949 4.918 0 40 HJAB CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@H](c2ccc(C(=O)O)cc2)C1 223246892 RENRQMCACQEWFC-UGKGYDQZSA-N 422.525 4.925 0 40 HJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCSc1ccccc1 223721477 VAOCDVWUNVWGFP-IBGZPJMESA-N 410.583 4.645 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccc1 223967594 YOEGQALRYYEKIW-NRFANRHFSA-N 412.486 4.508 0 40 HJAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3ccc(C)cc3)c2)c1 224124437 YGGUIHADJJPWFH-UHFFFAOYSA-N 407.466 4.852 0 40 HJAB COc1ccccc1CNC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 224294681 YSENZACOQSXXBW-UHFFFAOYSA-N 405.494 4.830 0 40 HJAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 224620941 DWDJREMLMBORBV-VXKWHMMOSA-N 404.539 4.881 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 225121935 CPXOQNDIUWHWQV-NRFANRHFSA-N 400.950 4.525 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)N[C@@H](C)CC)cc1 225239097 MQDGUFLVXHXOGT-OALUTQOASA-N 412.549 4.653 0 40 HJAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225696103 RNIIDQIVRVEYJF-NRFANRHFSA-N 408.586 4.727 0 40 HJAB C[C@]12C[C@@H]3N[C@H]1CCC[C@H]2N(C(=O)c1ccc2ccccc2n1)[C@H]3Cc1ccccc1 257208585 BMTKYRACDWHTFS-WOKGGPCBSA-N 411.549 4.591 0 40 HJAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccccc1)CN(Cc1ccc(Cl)cn1)CCO2 257235987 HAJVPLHRQYFSJO-VABKMULXSA-N 400.950 4.740 0 40 HJAB CCn1cc(CN2CCC(c3cc(Nc4ccc(F)cn4)cc(C)n3)CC2)c(C)n1 257256777 KMWCPIWWTFYWHX-UHFFFAOYSA-N 408.525 4.572 0 40 HJAB Cc1ncccc1C(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257325242 WSAZVJMBVPGJGX-PZJWPPBQSA-N 412.917 4.579 0 40 HJAB Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2ncn(CC(C)C)c23)o1 306134742 NXABNIGGWSGZPS-UHFFFAOYSA-N 405.498 4.631 0 40 HJAB COc1cccc(C(=S)N2CCOCC2)c1OCc1c(Cl)cccc1Cl 408572188 FNLFTDLEKPZXNA-UHFFFAOYSA-N 412.338 4.589 0 40 HJAB CC(C)Oc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 408626739 WHKUGCMJGPDWAW-UHFFFAOYSA-N 424.522 4.551 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1 408644821 RWLKDDNNRFCHPN-MRXNPFEDSA-N 415.331 4.620 0 40 HJAB CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(OC)cc3)n2)cc1 408699478 ULAZSQPXNWWZRF-UHFFFAOYSA-N 416.456 4.897 0 40 HJAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccccc4F)cc3)C2=O)cc1 409247596 INGFVCAEHJWWHY-OEAKJJBVSA-N 416.452 4.806 0 40 HJAB CC(C)(C)CCN1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 514289597 LXBJKYXMQNYSSW-WRALFONMSA-N 412.549 4.558 0 40 HJAB biogenic,in-vitro Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)/C=C/c3cccnc3)C2)n1 585292764 NRNVFIYGRCXLFM-LCCNJJIFSA-N 413.525 4.651 0 40 HJAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Nc1ccc2c(c1)OCCCO2 604405452 SYZHJSUSIVBYRT-IBGZPJMESA-N 407.470 4.537 0 40 HJAB biogenic c1ccc(CCSCc2nnc3sc(-c4cc(-c5ccccc5)[nH]n4)nn23)cc1 1501039861 BFRVNCKQCDQJHW-UHFFFAOYSA-N 418.551 4.719 0 40 HJAB O=C(Oc1ccccc1C(=S)N1CCCCC1)c1ccc(Br)cc1 866325 CIMXRSRVANASFI-UHFFFAOYSA-N 404.329 4.830 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc(CNc3cccc(Cl)c3)o2)c(C)c1 886611 NTZAOWXVOWBUSN-UHFFFAOYSA-N 416.934 4.991 0 40 HJAB COc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccccc1 1068275 RWHRHTYQOWOEFE-DEDYPNTBSA-N 403.409 4.758 0 40 HJAB COc1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1OC 1265651 GOSPGIBAZOAFGM-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB CCOc1ccc(OCC)c(C(=O)CCC(=O)Nc2ccc(Br)cc2)c1 1593228 QFLBYICJQXUNCV-UHFFFAOYSA-N 420.303 4.848 0 40 HJAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3ccc(F)cc3Cl)ccc12 2149116 OMRCSNLSOOQENQ-UHFFFAOYSA-N 404.821 4.799 0 40 HJAB biogenic COc1ccc(C(=O)Nc2cccc(-c3nnc4c5ccccc5c(C)nn34)c2)cc1 2263561 OLPSCPYCXSMDLT-UHFFFAOYSA-N 409.449 4.514 0 40 HJAB COc1cc(CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc(OC)c1OC 2639571 RXBXMVBBOOGCHF-UHFFFAOYSA-N 412.511 4.634 0 40 HJAB O=c1c2ccc(Cl)cc2nc(SC[C@@H]2CCCCO2)n1Cc1ccccc1 3285507 MKHGGGSQPAVORJ-KRWDZBQOSA-N 400.931 4.759 0 40 HJAB CCc1cccc2c(C(=O)COC(=O)c3ccc(-n4nc(C)cc4C)cc3)c[nH]c12 3365930 NQKPZKXHYOFPAF-UHFFFAOYSA-N 401.466 4.573 0 40 HJAB CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1F 3435304 CAIDQCMRYKDEIU-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB COC(=O)c1ccc(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 4134720 SMYXVKWUXFMCJO-UHFFFAOYSA-N 406.385 4.868 0 40 HJAB CC(C)Oc1ccc(C(=O)N2CCN(c3nc4c(Cl)cccc4s3)CC2)cc1 4583497 KLJZMMPHECDZEL-UHFFFAOYSA-N 415.946 4.699 0 40 HJAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(O)c2)n2c(nc3ccccc32)N1 4734798 OIASCHIURAPUGF-QFIPXVFZSA-N 414.440 4.809 0 40 HJAB CCCN(CC1CC1)C(=O)CSc1nnc(-c2ccoc2C)n1-c1ccccc1 4840895 OWNSIQNQLCTUJC-UHFFFAOYSA-N 410.543 4.576 0 40 HJAB Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 5053751 MCZWQRPBPUICEI-GOTSBHOMSA-N 414.415 4.769 0 40 HJAB COCCNc1nnc(S[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)s1 5078484 QPGBVDPRIGLWBY-IBGZPJMESA-N 413.568 4.930 0 40 HJAB C[C@@H]1C(c2ccccc2Cl)=NO[C@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1 5394090 NKWFDUAHKZBBCA-IVZQSRNASA-N 405.885 4.704 0 40 HJAB COc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2c(C)cccc2C)c2cccs2)cc1 5451004 WVQLKCCPWBCOFR-QHCPKHFHSA-N 406.507 4.644 0 40 HJAB Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1CCc1cccs1 5822749 HURKAXCFACQIMD-UHFFFAOYSA-N 407.495 4.721 0 40 HJAB Cc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc2n1 6141949 IDTGLYVWPPIQAJ-UHFFFAOYSA-N 423.519 4.658 0 40 HJAB Cc1nnc(S[C@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)n1C1CC1 6934726 XMVOXYCRRJEGAR-SECBINFHSA-N 415.569 4.801 0 40 HJAB COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4cccc5ccccc45)nc3C2)cc1 7060054 NFEMOVHJNFLYLQ-SFHVURJKSA-N 423.472 4.803 0 40 HJAB O=C(O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 8769024 SJPRSRRKBRDNBS-UHFFFAOYSA-N 424.250 4.631 0 40 HJAB Cn1c(SCC(=O)c2ccc([C@@H]3CC3(Cl)Cl)cc2)nnc1-c1ccncc1 9165904 IDFUJUDCFNLZCP-HNNXBMFYSA-N 419.337 4.513 0 40 HJAB O=C1CN(c2cc(Cl)cc(Cl)c2)C(=O)CN1c1cc(Cl)cc(Cl)c1 9235136 CFUGEMZHHNPTBY-UHFFFAOYSA-N 404.080 4.680 0 40 HJAB COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 9663938 SDGACMDVYWSTEB-UHFFFAOYSA-N 420.465 4.604 0 40 HJAB O=C(COc1ccc(Br)cc1Cl)N1CCc2[nH]c3ccccc3c2C1 9901882 TUADQJBJUFKGGD-UHFFFAOYSA-N 419.706 4.548 0 40 HJAB O=C(CSc1nnc(-c2ccco2)o1)N[C@H](c1ccc(F)cc1)c1cccs1 9951176 LUCVMSURWIIKKE-QGZVFWFLSA-N 415.471 4.528 0 40 HJAB NC(=O)c1ccc(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)cc1 10367108 FVNSRLDTKOACBP-UHFFFAOYSA-N 420.465 4.971 0 40 HJAB COC(=O)c1sccc1NC(=O)CSc1nc(C)c(C)n1C1CCCCC1 10871151 GSIHKJUSZPQGCL-UHFFFAOYSA-N 407.561 4.584 0 40 HJAB CN1C(=O)c2cccc3c(S(=O)(=O)Nc4cc(Cl)ccc4Cl)ccc1c23 11691599 GLYLLIQLNCGRJA-UHFFFAOYSA-N 407.278 4.537 0 40 HJAB Cc1ccc(-c2ccccc2CC2(C(=O)NC[C@H]3CCCO3)CCOCC2)c(C)c1 12231571 LUAUNOCQRYJOAF-JOCHJYFZSA-N 407.554 4.605 0 40 HJAB O=S(=O)(c1cccs1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl 12361541 FHPWDYVXXBWYQG-QGZVFWFLSA-N 413.351 4.650 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2cccc(Cl)c2)cc1 12764055 CIIDUGZWIJILKV-CQSZACIVSA-N 400.935 4.837 0 40 HJAB CCOc1ccccc1NC(=O)NCC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 12854433 PZRMTALKYXKJFD-HSZRJFAPSA-N 411.546 4.844 0 40 HJAB COc1cc(C)c(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc1OC 12924630 FBFSDZQBINETBB-UHFFFAOYSA-N 409.467 4.838 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cc(C(C)(C)C)ccc2O)c1 14184105 YCDFGSLTZPIDCJ-UHFFFAOYSA-N 410.543 4.948 0 40 HJAB COc1cc(OC)c(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1Cl 15949184 FFPIABBKCVBVDE-UHFFFAOYSA-N 416.861 4.793 0 40 HJAB COc1ccc(NC(=O)N(Cc2cccc(C)c2)c2nnc3n2CCCCC3)cc1 16769866 ZHGFFJYRZYRYBO-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1C 17011267 TVYXQBJTCADMHC-UHFFFAOYSA-N 415.902 4.547 0 40 HJAB Cc1cc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(C(F)(F)F)n3)C2)on1 19119826 AAMFESLWVZWULA-GFCCVEGCSA-N 422.432 4.540 0 40 HJAB O=C(N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Br 19143231 FLFZGQSHAHIRCW-CQSZACIVSA-N 422.537 4.987 0 40 HJAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@H]2CC=CCC2)C1 19528847 DYWVPERVCJSHOM-DFBJGRDBSA-N 422.594 4.669 0 40 HJAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc2noc(-c3ccccc3)c2c1 20623945 IVSZWCOALSNJEN-UHFFFAOYSA-N 413.477 4.579 0 40 HJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 22504887 ZBDNQPOTKKBFHF-UHFFFAOYSA-N 415.449 4.652 0 40 HJAB CCc1ccc(Cl)c(CC)c1NC(=O)CCn1cnc2sc(C)c(C)c2c1=O 23443263 HCXYHZGCHGSVKE-UHFFFAOYSA-N 417.962 4.882 0 40 HJAB Cc1ccc(-c2nc(NC(=O)c3nccnc3N)sc2-c2ccc(C)cc2)cc1 24745927 QESIPYDNTVZGQP-UHFFFAOYSA-N 401.495 4.718 0 40 HJAB O=C(CN1CCC([C@H](O)c2ccccc2)CC1)Nc1ccccc1Oc1ccccc1 26115426 KTWBTHOSMTYFFK-AREMUKBSSA-N 416.521 4.863 0 40 HJAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 29570328 KXMOJGQYYDTLME-INIZCTEOSA-N 422.456 4.563 0 40 HJAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(F)c(F)c1 32101443 VAVYCRYDANHFSV-INIZCTEOSA-N 416.815 4.962 0 40 HJAB O=C(Nc1cccc(-c2nnco2)c1)c1cn(-c2ccccc2)nc1-c1cccs1 32777338 NXZBKAWDQWINDD-UHFFFAOYSA-N 413.462 4.903 0 40 HJAB Cc1cccc(NC(=O)COc2ccccc2-c2noc(-c3cccc(F)c3)n2)c1 33324993 VRTSPKLRFUPZSI-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB Cc1ccc2cc(CN(C(=O)Nc3ccccc3F)C3CCCC3)c3nnnn3c2c1 35289710 GPHJQICYPOSIIG-UHFFFAOYSA-N 418.476 4.702 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@H](c1ccccc1)c1ccccn1 36714901 VWQAONUIKMZWIX-FOIQADDNSA-N 411.299 4.517 0 40 HJAB O=C(CN1CCN(c2ccccc2F)CC1)N1c2ccccc2Sc2ccccc21 37100514 UDEDKIVUQJSFMI-UHFFFAOYSA-N 419.525 4.777 0 40 HJAB O=C(CCCOc1ccc(Cl)cc1)NCc1ccc(CN2CCCCC2)cc1 44874724 VBUIEBOVVHETTG-UHFFFAOYSA-N 400.950 4.801 0 40 HJAB COc1cc(Cl)ccc1C(=O)OCc1nc(-c2cccc(C(F)(F)F)c2)no1 51315076 MGKHGMHMSHZHDE-UHFFFAOYSA-N 412.751 4.774 0 40 HJAB Cc1cnc(C(=O)N2CCC[C@@H](c3cc(Cc4cccc(Cl)c4)cc(C)n3)C2)cn1 72353950 UNLODSPFNOOLMG-HXUWFJFHSA-N 420.944 4.752 0 40 HJAB CN(CCCC(=O)N1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1)c1ccccc1 72380421 FUOPSDHXPZRRAP-FQEVSTJZSA-N 420.532 4.838 0 40 HJAB O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1ccccc1Br 90613636 IWGKGQJFQWIOSU-MRXNPFEDSA-N 408.342 4.584 0 40 HJAB C[C@H](SCc1ccccc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 95481666 YRDHGABXIONEKM-AWEZNQCLSA-N 401.919 4.670 0 40 HJAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)c3occc3C)CC2)c2ccccc21 96242337 QDVQVTYZISTKON-LJQANCHMSA-N 408.542 4.508 0 40 HJAB O=C1S/C(=C\c2ccccc2I)C(=O)N1Cc1ccccc1 106680554 QHAZQUUGQBCWBV-GDNBJRDFSA-N 421.259 4.528 0 40 HJAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)CC(C)(C)O2 219688705 DQFUKFAUAAGNLC-KDOFPFPSSA-N 418.331 4.943 0 40 HJAB CCC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223537562 WDILDOOLDUCJSD-LAUBAEHRSA-N 400.950 4.605 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)Nc1cnc(Oc2ccccc2F)nc1 224283976 JHYBBADPFDLFGF-UHFFFAOYSA-N 408.216 4.732 0 40 HJAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 224566932 MPLBJQKTRRPWOR-UHFFFAOYSA-N 419.865 4.924 0 40 HJAB O=C(NCCSC1CCCC1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 225393133 RVGOPNQPJSAMPR-UHFFFAOYSA-N 415.430 4.997 0 40 HJAB COc1ccc(-c2nc(N3CCCC[C@@H]3CCc3ccccc3)ncc2C(=O)O)cc1 257211491 BZBBYYZNYRBMJT-HXUWFJFHSA-N 417.509 4.842 0 40 HJAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)CCc2ccccc2)C1 257301244 RXQNBWPPEDWLCZ-IBGZPJMESA-N 420.578 4.988 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(Cc4ccncc4)c3C)N21 260756084 DDPBXADSUZPBRQ-OIBXWCBGSA-N 417.582 4.923 0 40 HJAB CCOc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1Br 260778103 QZPFBMZQVLDJCL-NXOUGTEYSA-N 418.360 4.832 0 40 HJAB C[C@@](CNC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1ccc(F)cc1 685939410 VGWFXZCESISYMG-VWLOTQADSA-N 419.452 4.707 0 40 HJAB CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(CCCC(=O)O)oc2cc1O 634092 CLJCGRFBTJNFJE-UHFFFAOYSA-N 409.463 4.745 0 40 HJAB biogenic COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc(F)cc3)C2)cc1 659321 FHEPEOIGVMQDEJ-QHCPKHFHSA-N 424.497 4.683 0 40 HJAB CC1CCN(C(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 900934 SOSVDMBOBSAPAU-CQSZACIVSA-N 409.477 4.902 0 40 HJAB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(O)c2)n1 1274470 JHZRKSCZEMGURD-HXUWFJFHSA-N 418.836 4.605 0 40 HJAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(COc2ccccn2)c1 2244417 WZCLAIOROSNKBI-QHCPKHFHSA-N 403.482 4.646 0 40 HJAB Cc1c(Cl)cccc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 2641361 IVWPZMVLHCWLCG-QFIPXVFZSA-N 404.897 4.854 0 40 HJAB CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 2704349 NLIURDXSTUQKIW-GOSISDBHSA-N 403.463 4.518 0 40 HJAB CCN(C(=O)COC(=O)c1ccc(SC)cc1OC)c1cccc2ccccc12 3245427 AIEVFSLVZWRWFP-UHFFFAOYSA-N 409.507 4.780 0 40 HJAB Cc1ccc(C)c(SCC(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1 3291185 BZHWGGUNYJCCCD-UHFFFAOYSA-N 419.546 4.845 0 40 HJAB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)Nc2ccc(N3CCOCC3)cc2)c1 3326593 RYWXLJGXCKODJN-UHFFFAOYSA-N 414.505 4.623 0 40 HJAB Cc1cc2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)n2c2ccccc12 3444899 RGOACMJTIJJKRS-HUUCEWRRSA-N 408.502 4.688 0 40 HJAB CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 4517893 KWNYFDMFWFIFGZ-UHFFFAOYSA-N 408.504 4.619 0 40 HJAB COc1ccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(C)cc2)cc1Cl 4892049 HZGCQKMCSPBCPR-UHFFFAOYSA-N 415.946 4.966 0 40 HJAB O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ccc(OC(F)(F)F)cc1 4964352 MMZPAOAOZAQSIN-UHFFFAOYSA-N 411.420 4.673 0 40 HJAB CCOC(=O)C1CCN(C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)CC1 4979932 CGVKSSZDPRUONK-UHFFFAOYSA-N 402.494 4.626 0 40 HJAB CN(C)CC(C)(C)CNc1c2c(nc3cc(-c4cccc(Cl)c4)nn13)CCCC2 4980789 PAYYKHCPUKMISR-UHFFFAOYSA-N 411.981 4.928 0 40 HJAB COc1cc(Br)cc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1cccc(C)c1 5043063 IDAYKZGFQVOWGI-DNVCBOLYSA-N 403.276 4.536 0 40 HJAB Cn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccco1 5862534 LFPBGKNDMFZUQE-SFHVURJKSA-N 408.458 4.686 0 40 HJAB Cc1cc(C)c(NC(=O)CNC(=O)CSc2cc(C)c3cccc(C)c3n2)c(C)c1 6587711 RWUDUYSNSYMMLX-UHFFFAOYSA-N 421.566 4.624 0 40 HJAB Cc1c(O)c([S@](=O)c2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1 6666676 JOSQZNPXPNWJNC-LJAQVGFWSA-N 401.487 4.685 0 40 HJAB O=C(Nc1ccccc1)C(Sc1nccc2ccccc12)C(=O)Nc1ccccc1 6829579 ZMOBRHJJSYMZDH-UHFFFAOYSA-N 413.502 4.973 0 40 HJAB CSc1nnc(CCCNC(=O)c2cc3c(s2)CCCCC3)n1C1CCCC1 7071918 HZWMUSPSRSPKHA-UHFFFAOYSA-N 418.632 4.808 0 40 HJAB CS(=O)(=O)Nc1ccc(-c2csc(-c3cccc(Br)c3)n2)cc1 7109613 WUGGJJYQHPCPFD-UHFFFAOYSA-N 409.330 4.611 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1C 8041582 QSVHGQTWRHSEJA-IBGZPJMESA-N 402.494 4.639 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc2c(c1)CCCC2 9193340 WCJQUVXPFJDFFV-UHFFFAOYSA-N 422.554 4.583 0 40 HJAB CCn1c(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)nc2ccccc21 10652305 MVNARXXSOPVLPP-UHFFFAOYSA-N 411.465 4.535 0 40 HJAB CC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 11078701 RKDUZGHXQORJBA-UHFFFAOYSA-N 424.456 4.900 0 40 HJAB Cc1cc(NC(=O)c2cncc(Br)c2)c2cc(Br)ccc2n1 12422089 CQXANIJAJXZWRA-UHFFFAOYSA-N 421.092 4.716 0 40 HJAB CCOc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)cc1 12441755 VEMSFOCAHATNMH-UHFFFAOYSA-N 418.522 4.884 0 40 HJAB CCOc1ccc(C(=O)c2ccccc2C(=O)Nc2ncc(C)s2)cc1OCC 12786850 PQDXILFXTLEFNE-UHFFFAOYSA-N 410.495 4.732 0 40 HJAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC(C)C)c1 12851148 ZJLFZNCKHCUHRV-UHFFFAOYSA-N 422.554 4.843 0 40 HJAB COc1ccc(-c2nc(CN(C)CCOc3ccc(Cl)cc3)cs2)c(OC)c1 12915503 HNVSZQADBRCQDR-UHFFFAOYSA-N 418.946 4.992 0 40 HJAB Cc1ccc([C@@H](NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)c2ccccc2)cc1C 12998492 HBJJBRPMUSQLKX-VWNXMTODSA-N 416.521 4.654 0 40 HJAB COc1cccc(CC(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 13002961 RSUDMCXXMPMTNL-UHFFFAOYSA-N 410.905 4.515 0 40 HJAB O=c1c2ccccc2nc(SCc2nnsc2Cl)n1-c1cccc(Cl)c1 13007253 DXMKARZDBFUXAB-UHFFFAOYSA-N 421.334 4.836 0 40 HJAB O=C(c1cnn(Cc2ccccc2)c1)N1CCC(c2nc3ccccc3s2)CC1 14241592 JGVYYKBHOUMPGK-UHFFFAOYSA-N 402.523 4.561 0 40 HJAB CSc1cccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)c1 16975387 QNIGMWQLCPBGFO-UHFFFAOYSA-N 406.536 4.849 0 40 HJAB COCCCNc1nc(Nc2ccc(C)c(C)c2)c2cnn(-c3ccccc3)c2n1 17052960 DBFNRTCYHNRMIK-UHFFFAOYSA-N 402.502 4.624 0 40 HJAB CCC(=O)N1CCC[C@H](c2cc(Oc3cccc(F)c3)nc(-c3ccncc3)n2)C1 19498728 MCSLWCXUVNLSFM-KRWDZBQOSA-N 406.461 4.586 0 40 HJAB COc1ccc(-c2cc(C(=O)N(Cc3ccccc3)[C@H]3CCOC(C)(C)C3)on2)cc1 19660494 QBONGDHXXAEPKE-FQEVSTJZSA-N 420.509 4.950 0 40 HJAB Cc1c(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cnn1C 19694318 HSKNQWROYMEECT-OAQYLSRUSA-N 424.980 4.632 0 40 HJAB COc1ccc(CSc2nc(SC)nc3sc4c(c23)CCN(C)C4)cc1 20394282 SIFUFRPUANAHRV-UHFFFAOYSA-N 403.598 4.702 0 40 HJAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)C1 30754274 DEWYIADKEMBQMB-GASCZTMLSA-N 403.419 4.711 0 40 HJAB O=C(c1ccc(COc2ccccc2)o1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 32882844 CXEOIYQOHCUBFI-KRWDZBQOSA-N 401.466 4.755 0 40 HJAB CC(=O)N1CCc2cc(C(=O)Nc3ccccc3CN(C)C3CCCCC3)ccc21 32904227 AEVGFNQNBUWAFX-UHFFFAOYSA-N 405.542 4.612 0 40 HJAB C[C@@H](OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)O 34212928 ORQZAESELNKXTJ-OXQOHEQNSA-N 413.514 4.972 0 40 HJAB COc1cc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc(OC)c1 35478586 IFALPZJLSJXKRH-UHFFFAOYSA-N 409.461 4.761 0 40 HJAB C[C@H]1CCc2c(sc3ncnc(Sc4nnc(-c5cccnc5)n4C4CC4)c23)C1 40019907 VYWPOLRPNSYDLN-LBPRGKRZSA-N 420.567 4.956 0 40 HJAB COc1ccc(NC(=O)N(C)Cc2ccc(Br)cc2)cc1OC(F)F 40104549 FFCCOAWYIYXMBK-UHFFFAOYSA-N 415.234 4.723 0 40 HJAB C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)c1c[nH]c(=S)n1-c1ccccc1 40112376 LWDGMZVUMYYHDU-GOSISDBHSA-N 420.582 4.839 0 40 HJAB CNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)nc3)cc2)c2ccccc2n1 45260462 PIROHBFQHMKAPE-UHFFFAOYSA-N 418.888 4.584 0 40 HJAB O=C(C1CCN(Cc2ccc(Cl)cc2Cl)CC1)N1CCc2ccccc2C1 45771105 RXHQILFDSSBIMX-UHFFFAOYSA-N 403.353 4.790 0 40 HJAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)c(F)c1 57486716 AALFGKFACCNHLU-UHFFFAOYSA-N 410.836 4.945 0 40 HJAB CCc1cc(=O)n(CC(=O)Nc2c(C)cc(C)cc2C)c(-c2cccc(Cl)c2)n1 57527627 ULUCBLAEOJEWLJ-UHFFFAOYSA-N 409.917 4.690 0 40 HJAB Cc1cc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)ccc1Br 58430606 AQHQQAKDLNEYLQ-JTQLQIEISA-N 423.361 4.940 0 40 HJAB CC[C@@H](C)n1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2cc(C)[nH]c2c1=O 67238939 XRSRTYNWFXMQQA-LLVKDONJSA-N 422.913 4.527 0 40 HJAB COCCn1ccc2cc(NC(=O)c3cc(Br)ccc3Cl)ccc21 83914507 WHYRBJJXMUQVHH-UHFFFAOYSA-N 407.695 4.956 0 40 HJAB O=C1COc2c(cccc2C(=O)Nc2cccc(Cl)c2SCC(F)(F)F)N1 84358373 DPOMXJSFKXWZMQ-UHFFFAOYSA-N 416.808 4.578 0 40 HJAB COc1cccc2cc(C(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)oc12 90607516 OPVJJBQXOJUHQF-UHFFFAOYSA-N 420.387 4.539 0 40 HJAB Cc1ccc(C)c(NC(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)c1 96037675 MXPSBPWRHMROLY-UHFFFAOYSA-N 415.541 4.824 0 40 HJAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@H]3CN2C1 108235059 NEMWYOKGHGSVSC-LNHKRLHCSA-N 415.662 4.563 0 40 HJAB biogenic CCc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 113934408 DDOJQXLQTWXEBX-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB O=S(=O)(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccccc1 208005940 DFDGHVIIGKNRAK-UHFFFAOYSA-N 408.508 4.750 0 40 HJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)O)c3)o2)S1 222630848 NGJCAHJBVGQSGX-GBLZOACLSA-N 405.479 4.629 0 40 HJAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1 223886015 YEJXKVUISIFMGL-FCHUYYIVSA-N 405.571 4.707 0 40 HJAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225071076 JXAMZKPLRMXSSZ-MRXNPFEDSA-N 421.368 4.522 0 40 HJAB COC(=O)c1cc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)ccc1Cl 225577653 CBHYVMYURPUYJZ-INIZCTEOSA-N 404.919 4.715 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 225617011 GXQBXMYJKWDYME-XMSQKQJNSA-N 414.977 4.995 0 40 HJAB COC(=O)c1cc(Br)c2[nH]c(-c3cccc(Br)c3)nc2c1 226344255 MYZSHQJISUDMED-UHFFFAOYSA-N 410.065 4.542 0 40 HJAB COc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)c2ccccc2F)cc1 408624197 GAVPIJWABAHQCG-UHFFFAOYSA-N 405.878 4.883 0 40 HJAB COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C(=O)OC)c3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 408625692 YXLGMTMTODVXIP-XVJVMYDOSA-N 405.494 4.865 0 40 HJAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cc(Cl)ccc3C)C(=O)[C@H]2C1 408687088 UFDRJCFWCASCPL-WMZOPIPTSA-N 408.885 4.746 0 40 HJAB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc(Br)c1O 409119591 XAIXICCSNXPXJW-NVNXTCNLSA-N 402.288 4.707 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cccc3CC)o2)cc1 409345578 JKIBKYCZBKYGNO-UHFFFAOYSA-N 411.527 4.813 0 40 HJAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3c(C)[nH]c4ccccc34)C2=O)c1 409359927 OGAANEPWGXYKNG-RGVLZGJSSA-N 419.506 4.768 0 40 HJAB Clc1ccc2ncc(-c3cccc([C@H]4CCCN(Cc5cccnc5)C4)n3)n2c1 585263018 VSPDOXKUEUSWPD-SFHVURJKSA-N 403.917 4.824 0 40 HJAB Cn1ccnc1[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc(F)c1 685519193 YZASMSVKESTYNK-CEXWTWQISA-N 417.406 4.587 0 40 HJAB O=C(NCC1(Cc2ccccc2)CCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1 1544100222 BYOHVWQGWANFJI-UHFFFAOYSA-N 415.415 4.898 0 40 HJAB C[C@@H](Nc1ccccc1F)C(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 2037709926 JEUDTQYTIFPPIL-QGZVFWFLSA-N 419.504 4.566 0 40 HJAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 2037846002 KQMFLJPCXCIQRH-SFHVURJKSA-N 403.457 4.906 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(CNc2ccc(C)cc2)n1CC 648835 KEAWSLHNMVXJBP-UHFFFAOYSA-N 423.586 4.820 0 40 HJAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(c4ccccc4)C(=O)N32)cc1 1071016 RRNYXZXVIKHUQD-ISKFKSNPSA-N 423.472 4.659 0 40 HJAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1Cl 1147327 QDVFFWNWEDTCGB-FHXOWUIVSA-N 402.853 4.749 0 40 HJAB CCSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CCC[C@@H]4C 1248976 GGYWAJITJQNGRM-ZDUSSCGKSA-N 410.568 4.955 0 40 HJAB COc1ccc(CNc2c(-c3cc4cc(C)ccc4[nH]c3=O)nc3ccccn23)cc1 1330192 ARESBBYZHLBMQR-UHFFFAOYSA-N 410.477 4.772 0 40 HJAB COc1cc([C@@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1OC 2146001 BICFVLAOOAUYSK-UKILVPOCSA-N 420.461 4.614 0 40 HJAB O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cccc(Cl)c1 4036343 ZAIROKJIPNYLRG-UHFFFAOYSA-N 401.900 4.813 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(Cc1ccccc1)C(=O)c1ccco1 4240668 KMARPOQBPVYMEJ-HSZRJFAPSA-N 420.484 4.861 0 40 HJAB Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1)N(c1ccc(Br)cc1)C2=O 4625134 ITRGQJSRIAIABD-QGZVFWFLSA-N 402.679 4.884 0 40 HJAB Cc1ccc(C)c(N2CCN(c3ncnc4c(-c5ccccc5)nsc34)CC2)c1 4857986 XKRZGPGXPUOJRH-UHFFFAOYSA-N 401.539 4.697 0 40 HJAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32C(=O)N(C)c3ccc(C)cc32)cc1 4859877 AOULRMHNQOUIKM-ZEQKJWHPSA-N 409.489 4.676 0 40 HJAB CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCCCN(C)C)c23)CO1 5156703 CNPNKIMDJYRJRD-FQEVSTJZSA-N 408.637 4.797 0 40 HJAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc(Cl)cc1F 6128901 SEOZEBTWPRFJJK-UHFFFAOYSA-N 402.882 4.668 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 6230759 SIFXLKYYXFOAOH-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc([N+](=O)[O-])cc1Cl 6344834 BQDDJCCEJKOCPM-YDZHTSKRSA-N 404.813 4.507 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2cn(CC(=O)N3CCCC3)c3ccccc23)c1 6867168 KHIURPJWQOEYHV-UHFFFAOYSA-N 421.566 4.611 0 40 HJAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1nc2ccc(F)cc2s1 8071962 CZXRYJCJZYIWNW-UHFFFAOYSA-N 409.280 4.994 0 40 HJAB CCc1cc2c3c(c1)[C@@]1(SCC(=O)N1c1ccc(F)cc1)C(=O)N3C(C)(C)C[C@H]2C 8215653 AXRHNUXSDKLLJH-JBEBIEQOSA-N 424.541 4.953 0 40 HJAB COc1ccccc1O[C@H](C)C(=O)NCCSCc1c(Cl)cccc1Cl 8499255 QNRLBADTMFYSKC-CYBMUJFWSA-N 414.354 4.819 0 40 HJAB CC(C)Oc1cccc(CNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 9062744 AXLOOTOVQHIEKY-UHFFFAOYSA-N 418.940 4.795 0 40 HJAB O=C(CSc1ncnc2ccccc12)N1CCC[C@H](c2nc3ccccc3s2)C1 9913870 ITAQTLZQTISKRY-HNNXBMFYSA-N 420.563 4.738 0 40 HJAB Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 11613219 FBBREMIXVSELHE-UHFFFAOYSA-N 424.504 4.693 0 40 HJAB C[C@@H]1CCc2noc(C3CCN(C(=O)c4nsc(Cl)c4Cl)CC3)c2C1 12119832 BABGCELMNGEPDB-SECBINFHSA-N 400.331 4.583 0 40 HJAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)Nc1ccccc1Sc1ccccc1 12528841 PLJUDWKUAJOUEG-JWTNVVGKSA-N 423.534 4.715 0 40 HJAB C[C@H](NC(=O)CCSCCOc1ccc(Br)cc1)c1ccccc1 12913358 UYPHTKMEDRMIEX-HNNXBMFYSA-N 408.361 4.829 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)c1cc(-c2ccncc2)nc2ccccc12 12970808 NIJKQRZIJCWXRJ-UHFFFAOYSA-N 411.461 4.709 0 40 HJAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccccc1Oc1ccccc1 15320188 VZDHZMJBIKCUIL-UHFFFAOYSA-N 423.900 4.641 0 40 HJAB O=C(c1cc(-c2ccccn2)nc2ccccc12)N(Cc1ccccn1)C[C@H]1CCCO1 19666520 BMBJUWYWJGLBPX-HXUWFJFHSA-N 424.504 4.513 0 40 HJAB COc1ccc(-c2cccc(CN3CCC[C@@H]3c3ccc(C(N)=O)c(C)n3)c2)cc1 19711144 AQPJOVNHMACDRM-XMMPIXPASA-N 401.510 4.502 0 40 HJAB CCOC(=O)c1sc(-c2cccc(OC)c2)cc1NC(=S)N1CCCCC1 19797188 JQJWCIXHMNHVDW-UHFFFAOYSA-N 404.557 4.783 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1 20459794 PIQYZPMRVUZPCA-GOSISDBHSA-N 424.522 4.510 0 40 HJAB CCN(CC(=O)NC(C)(C)C)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 21351622 PQMRPRHRVIUGAX-UHFFFAOYSA-N 406.448 4.749 0 40 HJAB O=C(Nc1cccc(C2SCCS2)c1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 25244861 XFVNEGXTVRETBR-SFHVURJKSA-N 414.552 4.535 0 40 HJAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cccc2c3c([nH]c12)CCCC3 27603351 SVZKWFSKHRNBJB-UHFFFAOYSA-N 415.537 4.603 0 40 HJAB COc1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3ccc(C)c(C)c3o2)cc1 27992867 XKTUHVPKRKGTRV-UHFFFAOYSA-N 417.461 4.854 0 40 HJAB Cc1ccc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)cc(=O)c2c1 28289884 SXUDKZMGUUDJMW-SFHVURJKSA-N 410.539 4.510 0 40 HJAB Cc1ccccc1-c1noc(CSc2ccc(-c3ccc4c(c3)OCO4)nn2)n1 33262455 HDNHJOFMVTXFRY-UHFFFAOYSA-N 404.451 4.523 0 40 HJAB Cc1cc(C)nc(Sc2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)n1 36811291 UYJPINQSUORTII-ONNFQVAWSA-N 405.479 4.625 0 40 HJAB COc1cc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c(OC)cc1Cl 39767842 RLMHVRMOGWLWMW-UHFFFAOYSA-N 402.922 4.516 0 40 HJAB O=C(O)[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1c1ccccc1 39778396 GHKDFAVPKIFJQB-GOTSBHOMSA-N 413.473 4.736 0 40 HJAB O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCc1cccs1 40397389 YSKSPEZHJANFJX-UHFFFAOYSA-N 406.898 4.669 0 40 HJAB Cc1cc(Br)ccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364562 LOOWIZSBIYUCPH-KRWDZBQOSA-N 423.310 4.916 0 40 HJAB Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)Cc1csc(-c2ncccn2)n1 58439404 PHVXGVHDIZUQFC-UHFFFAOYSA-N 415.584 4.629 0 40 HJAB CCCN(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 72214662 LIKYVLXHRWGJSG-UHFFFAOYSA-N 421.538 4.721 0 40 HJAB COc1ccc(CC(=O)N2CCC(c3cccc(Cc4ccc(F)cc4)n3)CC2)cc1 72349575 MUXHHIZNVSMVBI-UHFFFAOYSA-N 418.512 4.769 0 40 HJAB O=C(NCc1cccc2ccccc12)NCC(O)(c1cccs1)c1cccs1 90617772 TWYNSOWSPSNZCG-UHFFFAOYSA-N 408.548 4.698 0 40 HJAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccccc1OCCc1ccccc1 95473316 IHXJILFIUIIMRT-NRFANRHFSA-N 423.538 4.803 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)c1 136688551 UPEZTDOYBPIWHX-USCONSEESA-N 416.521 4.765 0 40 HJAB CC[C@@H]1c2cc(OC)c(OC(C)=O)cc2[C@@H](c2ccc(OC(C)=O)c(OC)c2)[C@H]1C 216163997 BRYNFIBJEKWEEG-AZYOSKNGSA-N 412.482 4.830 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2nccs2)c1C 222953353 ACFUEOUUYFHHJZ-RTBURBONSA-N 411.600 4.718 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 223616231 ARICSBBKDJODDJ-HSZRJFAPSA-N 424.585 4.577 0 40 HJAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(OC)cc2)cc1 223646723 UTNPBDPWKLDMRI-UHFFFAOYSA-N 419.886 4.950 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 223920617 AVNKIRSQEKOOLX-INIZCTEOSA-N 421.368 4.706 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)NCc3ccc(Cl)cc3Cl)o2)cc1 224852168 KTLVEAZRINDAQQ-UHFFFAOYSA-N 405.281 4.906 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 225153990 HGOHJCIHXTWPLR-JKSUJKDBSA-N 421.368 4.868 0 40 HJAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c(C)n1 225877233 RQWIBBLLLOICPG-UHFFFAOYSA-N 409.313 4.782 0 40 HJAB CC1CCN(c2cc(Oc3ccccc3)nc(NC(=S)NCc3ccco3)n2)CC1 225912232 ZYFYYYGGYNLDAR-UHFFFAOYSA-N 423.542 4.585 0 40 HJAB COc1ccc2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c(=O)oc2c1 226042881 RZNQOWMHPFPFPZ-UHFFFAOYSA-N 401.418 4.633 0 40 HJAB O=C(Cc1ccc(O)cc1)N1CCCC[C@H]1c1ccc(Cc2ccc(F)cc2)nc1 257271074 MWROUNKMQRZYQC-DEOSSOPVSA-N 404.485 4.813 0 40 HJAB O=C(CN1CCCCCC1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257341747 ZLUZWCZNQIWZFY-IBGZPJMESA-N 415.965 4.501 0 40 HJAB CCCOc1ccc(Br)cc1C(=O)OCC(=O)c1ccc(Cl)cc1 408586655 OMCQUQXPGYOSQN-UHFFFAOYSA-N 411.679 4.931 0 40 HJAB CC(C)CN1C(=O)/C(=C\c2ccc(O)c(I)c2)c2ccccc21 409111947 ASYXBPQHKWWTHP-DHDCSXOGSA-N 419.262 4.540 0 40 HJAB Fc1ccc(F)c(CN2CCC3(CC2)CC(Nc2cc(C(F)(F)F)ncn2)C3)c1 585104404 ZSZHAWQBOMXBRI-UHFFFAOYSA-N 412.406 4.630 0 40 HJAB COC(=O)C[C@@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)c1cccc(Cl)c1 1603217700 YMSLEDMBCROQLE-MRXNPFEDSA-N 424.806 4.874 0 40 HJAB COc1cccc(Cc2cnc([C@H]3CCCCN3Cc3cccc(C(=O)O)c3)o2)c1 1848353317 BIGGZTXSKMIYKB-JOCHJYFZSA-N 406.482 4.699 0 40 HJAB CC1CCN(C(=O)C2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)CC1 778804 NYAIXJMACYQEMS-UHFFFAOYSA-N 406.570 4.736 0 40 HJAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)CC1 804988 RLDJVCLVLYDUSK-UHFFFAOYSA-N 420.340 4.550 0 40 HJAB Cc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCCc3ccccc32)cc1 1337697 ULJARBUOMMGKEL-XMMPIXPASA-N 413.500 4.711 0 40 HJAB CCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(OC)cccc23)cc1 1777837 HAFRUYDDLOKQGF-UHFFFAOYSA-N 408.454 4.731 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc(C)c1-c1ccccc1 2761553 SFCDLQGMQIBEKE-HOTGVXAUSA-N 415.511 4.730 0 40 HJAB COc1ccc(Cl)cc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 3235732 CAVJAHJXRWYANZ-UHFFFAOYSA-N 423.852 4.768 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)c(C)c1 3347277 SHQVGNOLRGAKNR-MRXNPFEDSA-N 402.494 4.772 0 40 HJAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 3465718 JPHQQIBBYMROPS-INIZCTEOSA-N 410.518 4.567 0 40 HJAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccc(Br)cc1 3525427 QLENDQWQSXYAAX-UHFFFAOYSA-N 405.263 4.826 0 40 HJAB Cc1ccc(-n2c(SCc3ccc(C(=O)O)cc3)nnc2-c2ccncc2)cc1 4608075 QUWKINLXMRTFOV-UHFFFAOYSA-N 402.479 4.628 0 40 HJAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(OC)c2)cc1 4715836 MRGNQPRYOOUDBA-RCZVLFRGSA-N 416.477 4.955 0 40 HJAB COc1cc(NC(=S)NCCc2c[nH]c3ccc(F)cc23)c(OC)cc1Cl 5451675 CRAFBUZJZPFVPP-UHFFFAOYSA-N 407.898 4.507 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 5673623 OVWPXQNWLNRNPN-MRXNPFEDSA-N 412.445 4.629 0 40 HJAB CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1O 6394953 ZHSOMDCGUJIHFH-OWMRDYPQSA-N 404.919 4.606 0 40 HJAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(I)cc2)c1 6430302 QGPDKBGTTHNHEP-UHFFFAOYSA-N 407.251 4.510 0 40 HJAB COc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc(OC)c1 7474652 IVZSUGRXCFWAIN-UHFFFAOYSA-N 416.481 4.949 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc(C)n2C2CC2)c2ccccc2)c1 7617384 QJGCLTAIHOULFB-HXUWFJFHSA-N 406.511 4.596 0 40 HJAB Cc1cccc(-c2noc([C@H]3CCCN3S(=O)(=O)c3ccc4ccccc4c3)n2)c1 7669688 SVVXTJBUMNWXAZ-OAQYLSRUSA-N 419.506 4.724 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)NCCC4=CCCCC4)c(=O)c23)s1 7671935 QPPYNBHLUALVBK-UHFFFAOYSA-N 413.568 4.502 0 40 HJAB COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc(F)c(F)c2F)cc1 8168046 NBJNHIAYSZKQOE-UHFFFAOYSA-N 413.442 4.570 0 40 HJAB COC(=O)c1cccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c1C 8330433 CCYJVFPVFLEWOZ-CJLVFECKSA-N 401.462 4.970 0 40 HJAB Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)c1 8654868 BZUXJRXUYFAGHO-JOCHJYFZSA-N 400.950 4.679 0 40 HJAB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CNc1ccc(Br)cc1 8747356 WKJPSTZJSLAQKU-UHFFFAOYSA-N 419.710 4.554 0 40 HJAB Cc1ccc(C(=O)Nc2ccc3c(c2)nc(CSc2nccc(C)n2)n3C)cc1 9421717 HMAWLIPXUUFBKG-UHFFFAOYSA-N 403.511 4.525 0 40 HJAB O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1ccccc1Oc1ccccc1 9667420 DFBXDXTVUXGQIN-IBGZPJMESA-N 416.477 4.640 0 40 HJAB COc1cc(/C=C/C(=O)N2CCCc3ccccc32)ccc1OCc1c(C)noc1C 9744226 YHPOZPOJYINZPE-ACCUITESSA-N 418.493 4.872 0 40 HJAB C[C@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 11127222 DXUOGQPWZTVLHA-QMMMGPOBSA-N 407.722 4.821 0 40 HJAB O=C(/C=C/c1cnn(Cc2ccccc2)c1)N1CCC[C@H]1c1nc2ccccc2s1 12567209 BFVNGYNCGGVVJJ-IWGBCORSSA-N 414.534 4.918 0 40 HJAB Cc1cccc(-c2nnc([C@@H](C)N(C)CC(=O)Nc3c(Cl)cccc3Cl)o2)c1 12850064 MJFXUGCOQYQBSO-CYBMUJFWSA-N 419.312 4.983 0 40 HJAB O=C(Nc1ccccc1OCC(F)(F)F)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 12934352 VTWAXSBTLFCPJH-OAHLLOKOSA-N 421.419 4.510 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2ncnc3sccc23)C1=O 13114726 AIHNAHGBUNNRHP-HNNXBMFYSA-N 417.943 4.658 0 40 HJAB Cc1cc(I)ccc1NC(=O)[C@@H](C)Oc1ccccc1Cl 13709864 UOYINIDIPJTVPX-LLVKDONJSA-N 415.658 4.659 0 40 HJAB CSc1nc(NC[C@@H](C)O)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 13759198 IRHYIIODXLYOJB-GFCCVEGCSA-N 422.579 4.910 0 40 HJAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)o1 14152375 IHEXXPCVWYTUAV-UHFFFAOYSA-N 423.416 4.885 0 40 HJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1cnn(-c2ccccc2)c1 14848109 OTROMPFVFDSNKL-UHFFFAOYSA-N 403.404 4.861 0 40 HJAB CC(C)c1ccc([C@@H](NC(=O)CN2C(=O)COc3ccccc32)c2cccs2)cc1 15616563 VIFPKEICNFCLFD-XMMPIXPASA-N 420.534 4.503 0 40 HJAB CCc1nc2sc([C@H](c3cccc(Cl)c3)N3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 16690100 KNQFVMFTIGUJOB-XNJGSVPQSA-N 404.967 4.780 0 40 HJAB COc1ccc(N(CC(=O)c2ccc(Br)cc2)C2=NCCCS2)cc1 16769156 QKBZONONUWYBQY-UHFFFAOYSA-N 419.344 4.640 0 40 HJAB Cc1cc2nc(CCNC(=O)c3c(-c4ccc(Cl)cc4)noc3C)[nH]c2cc1C 19718268 NQHSPPRYLMEBQA-UHFFFAOYSA-N 408.889 4.769 0 40 HJAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1Cc2ccccc2S1 21308415 FLHQTPRKOHSHHH-SFHVURJKSA-N 423.365 4.888 0 40 HJAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cccc2ccccc12 21636944 JGYLIGPOXGFTBC-AZUAARDMSA-N 401.510 4.961 0 40 HJAB CCOc1cc2c(cc1NC(=O)Cc1csc(-c3ccsc3)n1)O[C@@H](C)C2 21837606 GOWICLZVEZRIAE-LBPRGKRZSA-N 400.525 4.775 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCC(Cc2ccccc2)CC1 21895157 MLBVPWKQFHOJKJ-UHFFFAOYSA-N 401.554 4.903 0 40 HJAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCSc2c(F)cccc21 24756926 VKHWKTJINVQDSV-CZUORRHYSA-N 422.934 4.635 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2ccccc2OC)c2c[nH]c3ccccc23)cc1 27744526 GYFKQMXNPMQSTD-OAQYLSRUSA-N 400.478 4.747 0 40 HJAB CC(=O)Nc1ccc2nc(NC(=O)c3c(-c4ccc(F)cc4)noc3C)sc2c1 28936141 QQILRJOLXBDMEZ-UHFFFAOYSA-N 410.430 4.610 0 40 HJAB COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 30852430 YDUHZLNRXHKYBT-IBGZPJMESA-N 400.522 4.745 0 40 HJAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cccc(OCc2ccccc2)c1 32119219 GQGIILNQWVEAQL-UHFFFAOYSA-N 420.578 4.695 0 40 HJAB COCCn1c(-c2c[nH]c3ccccc23)cs/c1=N\c1cccc(NC(C)=O)c1 32772235 MYJFVJDCLQEHAG-LVWGJNHUSA-N 406.511 4.535 0 40 HJAB C[C@H](CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 32966550 LQWJMIULSXSOJG-CYBMUJFWSA-N 412.839 4.950 0 40 HJAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCC[C@H](c4nc5ccccc5s4)C3)c2c1 35107761 HHZZVUFEYUXDOR-QKKBWIMNSA-N 421.522 4.792 0 40 HJAB Cc1ncc(NC(=O)c2c(F)cccc2F)n1-c1nc(-c2cccs2)cs1 35682831 WENCWJMYLXHURG-UHFFFAOYSA-N 402.451 4.896 0 40 HJAB CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1 40081659 QJVNWBTUTWVUFB-UHFFFAOYSA-N 415.515 4.529 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc1 40142786 SDJQRIWLRCVOTQ-UHFFFAOYSA-N 406.667 4.795 0 40 HJAB CCc1nn2c(nnc3c(=O)n([C@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40391689 XFOIZPPUZGPPTA-DOXZYTNZSA-N 419.504 4.805 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(F)cc1 47465714 UTVCNTICSTYCHO-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(Cc3ccccn3)C3CC3)c12 48265732 DOAFUAGMIGTFJW-UHFFFAOYSA-N 403.530 4.572 0 40 HJAB O=S(=O)(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(Cl)nc1Cl 65530374 FGLZFDHHYOVSOX-UHFFFAOYSA-N 415.298 4.621 0 40 HJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C)cc2F)nc1 67294384 SGRRIOZJUUNHJW-RWEWTDSWSA-N 403.413 4.774 0 40 HJAB O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)Nc2ccccc2Cl)CC1 69600757 OYFSNJVYKBNHBB-UHFFFAOYSA-N 407.301 4.765 0 40 HJAB COc1cc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)cc(OC)c1OC 71289140 IEUSBGBFJMHBGC-GOSISDBHSA-N 403.504 4.616 0 40 HJAB O=C1c2ccccc2CC[C@@H]1[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 72193911 ZYAYJMIHRVQVMD-NBGIEHNGSA-N 417.892 4.520 0 40 HJAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)c3c(C(C)C)noc3C)n2)n1 72375487 UPNHCJCJAOCIOT-SFHVURJKSA-N 420.517 4.629 0 40 HJAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2ccc(Br)cc2O)CC1 95385756 ORBZUIPCSQYZGX-UHFFFAOYSA-N 413.315 4.964 0 40 HJAB N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1CCCO 100802403 VDGZCTYOSDPULF-UHFFFAOYSA-N 424.504 4.675 0 40 HJAB Cc1nn(-c2ccccc2)c(O)c1[C@@H]1Nc2ccccc2C(=O)N1C1CCCCC1 102454284 QAODEMDRTKMEBL-JOCHJYFZSA-N 402.498 4.786 0 40 HJAB CCOc1ccccc1N/C=C1/C(=O)N(c2cccc(OC)c2)C(=O)c2ccccc21 102931998 SOUXIDLRXDIESM-LTGZKZEYSA-N 414.461 4.734 0 40 HJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118931181 JLYQTAVPLWZAFP-WSLKUVFHSA-N 416.558 4.772 0 40 HJAB CCCCCC(=O)O[Sn](CC)(CC)OC(=O)CCCCC 203768845 FPAYIHPTGCMYRZ-UHFFFAOYSA-L 407.139 4.715 0 40 HJAB O=C(Nc1cccc(F)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 216272503 GTAXUEGJRVLRPA-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3nc4ccccc4s3)C2)n1 220808466 ASRLNKCHXYLSCW-INIZCTEOSA-N 418.522 4.750 0 40 HJAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1nc(-c2cccs2)no1 222733533 ALCSGJUCSHRNSK-UHFFFAOYSA-N 414.339 4.655 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 222862479 DZMKMNPLUPXEDY-OAHLLOKOSA-N 421.368 4.868 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1 224146811 XZPSYWHLGCCAPO-LJQANCHMSA-N 422.550 4.620 0 40 HJAB CCCC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224815691 TUSBBWIHPIRHAY-DEOSSOPVSA-N 406.570 4.794 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 225547110 ZTKCQURAEYUDDN-FYYLOGMGSA-N 424.585 4.713 0 40 HJAB Cc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)cc1N1CCCC1=O 225578939 KDSYQLXWFJPFDQ-SFHVURJKSA-N 409.555 4.711 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCCSCc2cccc(C)c2)c1 225604351 INXIEJVILQYQRD-UHFFFAOYSA-N 402.585 4.782 0 40 HJAB C[C@H](NC(=O)c1snnc1-c1ccc(Br)cc1)c1ccc(F)cc1 225786535 BVTKTLOAPFPSAA-JTQLQIEISA-N 406.280 4.598 0 40 HJAB Cc1ccc(-c2nnc(NC(=O)C3CCN(Cc4ccccc4C)CC3)s2)cc1 225798872 NVWIPKAXVHIDGE-UHFFFAOYSA-N 406.555 4.673 0 40 HJAB COC(=O)c1cc(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)ccc1Cl 225861405 RCODFBOJRFCYDN-UHFFFAOYSA-N 418.946 4.891 0 40 HJAB Cc1nn(C(C)C)c(C)c1CN1CCC(c2cccc(Nc3ccccn3)n2)CC1 257274031 NJGCYVWQFWPUGZ-UHFFFAOYSA-N 404.562 4.994 0 40 HJAB CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(COc2ccc(Cl)cc2)c(C(=O)O)s1 257296203 RBRUHRIRMDOLNG-OAHLLOKOSA-N 422.934 4.783 0 40 HJAB COc1ccc(-c2cccc([C@@H]3CN(Cc4ccnc5ccccc45)CCO3)n2)cc1 257300551 RUSHOKXZCAOYBD-SANMLTNESA-N 411.505 4.879 0 40 HJAB COc1ccccc1O[C@H](C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 408677408 CPAIQGKVYBLVTE-CYBMUJFWSA-N 414.354 4.819 0 40 HJAB CCN(CC)C(=S)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408981088 YYUYUHQGWKIZJC-UHFFFAOYSA-N 414.538 4.792 0 40 HJAB CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 409411446 WZDJZNZHXSXEPX-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB COc1cccc(Cc2cnc([C@@H]3CCCCN3Cc3ccccc3C(=O)O)o2)c1 1848353349 YKVHRLHBCLNTNX-QFIPXVFZSA-N 406.482 4.699 0 40 HJAB CCOc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 873235 DWNGROUDADFFAB-ZDUSSCGKSA-N 413.568 4.946 0 40 HJAB Cc1ccccc1[C@@H]1C[C@]2(CC(C)(C)NC(=S)N2)Oc2cc(O)c(Cl)cc21 881896 IKPOGTNYNYLUHX-YCRPNKLZSA-N 402.947 4.611 0 40 HJAB CS(=O)(=O)c1c(-c2ccccc2)n(-c2ccc(F)cc2)c2nc3ccccc3nc12 1410409 AFCGINUEZPBLBM-UHFFFAOYSA-N 417.465 4.783 0 40 HJAB CCCCCCNC(=O)c1sc2nc3c(cc2c1NC(=O)CC)COC(C)(C)C3 2368957 NKPNOHPPBJLPBP-UHFFFAOYSA-N 417.575 4.806 0 40 HJAB CN(C)c1ccc([C@H](O)[P@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 2386615 SZIGYIMGUCOGKS-AYWVHJORSA-N 424.481 4.630 0 40 HJAB O=C(CN1C(=O)CS/C1=C/c1nc2ccccc2s1)c1ccc(Cl)cc1 3246081 JAIPUMVOUWDXGF-DJKKODMXSA-N 400.912 4.706 0 40 HJAB CC(C)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 3291450 PJGRORBQBFTKLV-UHFFFAOYSA-N 400.784 4.673 0 40 HJAB O=c1c2ccccc2nc(SC[C@H]2CCCCO2)n1-c1ccc(OC(F)F)cc1 3359109 ITRUFKCKXFWAFA-MRXNPFEDSA-N 418.465 4.648 0 40 HJAB O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)c1ccc(F)c(F)c1 3364543 GVGBQMVLWINAJW-UHFFFAOYSA-N 408.433 4.583 0 40 HJAB Cc1cccc(COc2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc2)c1 3652590 XQWLRLZNFUAORS-UCQKPKSFSA-N 416.452 4.806 0 40 HJAB O=C(c1ccc(F)cc1)c1oc2ccccc2c1NC(=O)[C@H]1COc2ccccc2O1 3655334 WYSPZLUCQDTWRT-HXUWFJFHSA-N 417.392 4.581 0 40 HJAB CCCNC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 3670820 FKHBXZSBTABKMB-UHFFFAOYSA-N 417.218 4.862 0 40 HJAB COc1cccc2sc(N(CCCN(C)C)C(=O)c3ccccc3Cl)nc12 4359727 GRHRYTVPSKTCSL-UHFFFAOYSA-N 403.935 4.557 0 40 HJAB COc1cc(NC(=O)COc2cccc(C)c2C)ccc1NC(=O)c1cccs1 4487837 ZYJMYQDQCFFMPQ-UHFFFAOYSA-N 410.495 4.643 0 40 HJAB COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccccc1 4588083 CUCRGDYYXKRZHK-NDENLUEZSA-N 403.409 4.758 0 40 HJAB CCCN1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn23)CC1 4980544 ABSPPVVUSIUFAB-UHFFFAOYSA-N 415.516 4.734 0 40 HJAB COc1ccc(C)cc1-n1c(SCc2c(C)noc2C)nc2ccccc2c1=O 5013498 SGFILVATGDLWLN-UHFFFAOYSA-N 407.495 4.600 0 40 HJAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(OCc2ccccc2)cc1 5079819 SZHDNTNVNPTFPY-UHFFFAOYSA-N 412.445 4.609 0 40 HJAB Cn1c2ccccc2c2ccc(/C=C/[C@]34NC(=O)CN3c3ccccc3C4(C)C)cc21 5645081 WEIUGSZJYQLCEM-RTHBMQBDSA-N 407.517 4.969 0 40 HJAB CCC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H](C)CCc1ccccc1 6085351 XQVVRHRFBXOJSB-HNNXBMFYSA-N 418.331 4.558 0 40 HJAB COc1ccccc1NC(=O)Oc1cccc(OC(=O)Nc2ccccc2OC)c1 7003267 DHXXFEHILXHIBY-UHFFFAOYSA-N 408.410 4.926 0 40 HJAB COc1ccc(-c2nc(CSc3nncn3-c3ccccc3)cs2)cc1OC 7677421 NQIOQOUFQDZYSB-UHFFFAOYSA-N 410.524 4.700 0 40 HJAB CCOc1cc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)cc(OCC)c1OCC 7696844 FNPAWXSCCQFQCU-UHFFFAOYSA-N 423.513 4.688 0 40 HJAB CN1CCCN(c2nc(CSc3ccccc3)nc3sc4c(c23)CCC4)CC1 8178091 UTGYKCJHVIRHKW-UHFFFAOYSA-N 410.612 4.614 0 40 HJAB C[C@H]1Oc2c(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cccc2[C@H]1C 8312282 SDXXGNSWZADFCS-JKSUJKDBSA-N 402.498 4.808 0 40 HJAB CCOc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2cccc(C)c2)cc1 8476365 XPQIRICUZZTTDX-UHFFFAOYSA-N 404.514 4.704 0 40 HJAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)cc(=O)c3c2)cc1OC 9660197 RXOZHMCVHODZJC-UHFFFAOYSA-N 419.408 4.869 0 40 HJAB biogenic O[C@@]12CCCC[C@H]1C1(CCCCC1)NC(=S)N2Cc1ccccc1C(F)(F)F 12389154 KYCXZQJJARAALM-PXNSSMCTSA-N 412.521 4.977 0 40 HJAB Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(F)cc2)c(NCc2ccco2)o1 12419138 KSIODLYLIPZJHV-UHFFFAOYSA-N 412.442 4.827 0 40 HJAB C[C@@H](NC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)c1ccco1 12568044 BCBUBBADRNUAKU-MRXNPFEDSA-N 410.543 4.878 0 40 HJAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1cc(Cl)ccc1Cl 12776648 KRLHMTQXZOLESD-UHFFFAOYSA-N 422.337 4.672 0 40 HJAB COc1ccccc1N1CCN(C(=O)COc2cc(C)c(Cl)cc2C(C)C)CC1 13075333 IERVLYRKKWAKPD-UHFFFAOYSA-N 416.949 4.508 0 40 HJAB C/C(=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O)[C@@H](O)C[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C 13432977 XFTFIFNAWKMLKL-LXINJMMDSA-N 422.949 4.753 0 40 HJAB biogenic,in-vitro O=c1oc2ccccc2cc1-c1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1 13628204 QHBWJOKNZAZFPG-UHFFFAOYSA-N 415.261 4.933 0 40 HJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 13708666 WMJZQXHECURBRL-GOSISDBHSA-N 402.494 4.872 0 40 HJAB CC(=O)c1sc(-c2ccc(Oc3ccc4nnc(C(F)(F)F)n4n3)cc2)nc1C 14198868 FYXAHKKEBZTOCM-UHFFFAOYSA-N 419.388 4.570 0 40 HJAB C[C@H]1CCCN(Cn2nc(CSc3nc4ccccc4s3)n(C)c2=S)C1 14200361 ZXYLBYFJILHUCV-ZDUSSCGKSA-N 405.618 4.542 0 40 HJAB CC[C@@H](c1nnc(SCc2cc(-c3ccco3)on2)n1Cc1ccccc1)N(C)C 14244641 QRUFEVADHITNQG-SFHVURJKSA-N 423.542 4.879 0 40 HJAB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1 18118286 AFZQLWRVIQBPGG-BDTNDASRSA-N 418.880 4.700 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)C[C@H]3C=CCC3)C1)N2 19083989 HAQMRQRPPZVMPP-XLAORIBOSA-N 420.548 4.766 0 40 HJAB Cc1noc(C)c1Cc1c(C(=O)NCC2(c3ccccc3F)CCCC2)noc1C 19580966 KSVYPAKKDBOPJS-UHFFFAOYSA-N 411.477 4.560 0 40 HJAB CCn1cc(-c2cc(C(=O)Nc3nc(-c4cccc(Cl)c4)c(C)s3)no2)cn1 19665284 JYVSYXISKGFAPL-UHFFFAOYSA-N 413.890 4.896 0 40 HJAB Cc1ccccc1CN1C(=O)CCCC[C@H]2N(Cc3cnc(C(C)C)nc3)CC[C@]21C 19713380 VJGXKKFNXJYXOW-ZEQKJWHPSA-N 420.601 4.844 0 40 HJAB CC1(C)C[C@@H](NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)c2ccccc2O1 19715347 ZCVLWUBJYTUPLS-MRXNPFEDSA-N 412.440 4.577 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3cccc(C)c3)n2)cc1 20899981 QTHIXOHMZFCFLP-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB Cc1nc2cc(C(=O)NCc3ccccc3Cn3ccnc3)ccc2n1-c1ccccc1 25666105 DOBJZPSGPSWJCX-UHFFFAOYSA-N 421.504 4.509 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c(C)c1 26089981 PZZWXNKSWQXLTK-UHFFFAOYSA-N 421.547 4.795 0 40 HJAB Cc1csc(=O)n1CCCC(=O)Oc1ccc2cc(Br)ccc2c1 26361754 JYEYPHBVHLWKSM-UHFFFAOYSA-N 406.301 4.520 0 40 HJAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(NC(=O)C2CC2)cc1 27292319 QUBOTTYCGJROMH-HNNXBMFYSA-N 421.472 4.639 0 40 HJAB COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 27348619 ZRDUHQYEVSLNMB-QGZVFWFLSA-N 408.285 4.637 0 40 HJAB Cc1ccccc1NC(=O)Nc1nn(Cc2ccc(F)cc2)cc1Br 27917001 JGMFCKHRFIODMZ-UHFFFAOYSA-N 403.255 4.785 0 40 HJAB O=C(COc1ccc(Cl)c2ccccc12)Nc1cccc(CN2CCCC2=O)c1 29287498 HENFXOLTGMODPK-UHFFFAOYSA-N 408.885 4.633 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 30943373 YRRDLXLCYHIDRG-HXUWFJFHSA-N 412.505 4.633 0 40 HJAB O=C(N[C@H](c1cccs1)C1CCCC1)c1cccc(CN2C(=O)CSC2=O)c1 32397683 ZXVNILQHFXELLV-IBGZPJMESA-N 414.552 4.605 0 40 HJAB Cc1nc2c(-c3ccccc3)c(C)nn2c(O)c1CCC(=O)Nc1ccc(Cl)cc1 36580054 WJJDSLOFNGYMSC-UHFFFAOYSA-N 420.900 4.943 0 40 HJAB COc1ccc(NCc2cc(Br)c(OC)c(Br)c2)cc1 37216177 GKNTUBYFNUADMU-UHFFFAOYSA-N 401.098 4.841 0 40 HJAB COc1ccc(-c2cnn3c(C)c(C(=O)Nc4ccc(F)c(Cl)c4)cnc23)cc1 38829640 WHHKYQYNPISLPR-UHFFFAOYSA-N 410.836 4.758 0 40 HJAB CCCN(Cc1cc(=O)[nH]c2c(OC)cccc12)C(=O)Nc1cc(Cl)ccc1C 41089906 UVCDFWHGXHVKFM-UHFFFAOYSA-N 413.905 4.943 0 40 HJAB COc1cccc(COCC(=O)Nc2ccc(C)cc2-c2nc3ccccc3[nH]2)c1 48361515 LSFFUWCCQUGYJZ-UHFFFAOYSA-N 401.466 4.702 0 40 HJAB Cc1ccc(-c2cc(NC(=O)C(=O)c3c(C)nn(C)c3C)nc(-c3ccccc3)c2)cc1 58571906 XURXDFLLXZZQHM-UHFFFAOYSA-N 424.504 4.896 0 40 HJAB COc1c(C)cc(CNC2(c3cccc(Br)c3)CCOCC2)cc1C 72275148 VEZZSMUPWPBUHR-UHFFFAOYSA-N 404.348 4.870 0 40 HJAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nnc12 100305553 ZCWLMTRSOULJKR-BFUOFWGJSA-N 422.476 4.796 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1 136688426 LRLAXBPALOQETA-USCONSEESA-N 416.521 4.765 0 40 HJAB Cc1ccccc1CN(C(=O)CCc1ccccc1Cl)[C@H](C)C(=O)NC(C)(C)C 222706381 XNOFYURVQQEODT-GOSISDBHSA-N 414.977 4.913 0 40 HJAB CC(C)c1ccccc1OCC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C 223130854 SVUXOFFWNZCJTN-HXUWFJFHSA-N 424.585 4.563 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)c(C)c1C 223651127 MNEXTZHEKGRWBB-UHFFFAOYSA-N 404.713 4.529 0 40 HJAB Cc1cccc(OCCNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 224251692 FMYLSSLKDXJHEU-UHFFFAOYSA-N 420.347 4.629 0 40 HJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 224759958 MSMGFZLNCURUAS-SFHVURJKSA-N 412.961 4.749 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](CC)C(=O)N[C@@H](C)CC)cc1 225485161 GWXREMVSBOMHEK-GBXCKJPGSA-N 408.586 4.904 0 40 HJAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(=O)N4CCCCC4)cc3)CCCC2)cc1 225512339 UNTHJJCWMBGXOC-UHFFFAOYSA-N 420.553 4.837 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 225667711 WLXVSAZUKMKJAM-CVDCTZTESA-N 412.549 4.707 0 40 HJAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 225727060 AMPIFTKVKFULBJ-UHFFFAOYSA-N 417.339 4.581 0 40 HJAB COc1ccc(C)cc1NC(=O)c1snnc1-c1ccc(Br)cc1 225784569 YOCIYWHHDKFYNT-UHFFFAOYSA-N 404.289 4.537 0 40 HJAB COc1ccc([C@H](C)NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 225806124 LQTBRMMESZGDED-ZDUSSCGKSA-N 419.403 4.574 0 40 HJAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)cc2)C1=O 409229305 MYKAYDNJNLLLFR-QCUKBLKESA-N 413.520 4.744 0 40 HJAB CN1C(=O)CCc2cc(NCc3ccc(Br)c(Br)c3)ccc21 1620836081 QOKUGDZXZKDZLI-UHFFFAOYSA-N 424.136 4.733 0 40 HJAB Clc1cccc(-c2nccc([C@@H]3CCCN3Cc3ccnc(N4CCCC4)n3)n2)c1 1848355955 YDMRWCPVHMKVFB-NRFANRHFSA-N 420.948 4.524 0 40 HJAB COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)NCc2ccco2)cc1 644215 SDWZBNAGJKMUFL-UHFFFAOYSA-N 419.264 4.777 0 40 HJAB aggregator O=C(O)CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1 1070999 VIDJILWPKQHREE-QHCPKHFHSA-N 402.425 4.755 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)c1 1282683 OAURTHSGDOTNBU-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB COc1ccc(OC)c(C(=O)CSc2ccc(-c3ccc(Cl)cc3)nn2)c1 1332396 AWOUXLJNWIFDEC-UHFFFAOYSA-N 400.887 4.789 0 40 HJAB Cc1cc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CC[C@@H](C)C4)no1 1375682 CRAFLKAIXAHKQQ-LLVKDONJSA-N 416.572 4.967 0 40 HJAB CCN(CC)C(=O)CSc1nc2ccc(NC(=O)c3ccc(C)cc3)cc2s1 2231468 ZGRWXYCJTCJSAA-UHFFFAOYSA-N 413.568 4.818 0 40 HJAB O=C(CCc1ccccc1)Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O 2408270 SQITVINFYFFMDR-KRWDZBQOSA-N 405.885 4.614 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)c2c(N)n(CCC(C)C)c3nc4ccccc4nc23)c1 2420549 VXPODPGBQRLWGA-UHFFFAOYSA-N 422.554 4.662 0 40 HJAB C[C@@H](NC(=O)COC(=O)c1ccccc1OCc1ccccc1Cl)c1ccccc1 2617122 QUMMFUOJFUDAIU-QGZVFWFLSA-N 423.896 4.953 0 40 HJAB Nc1cc(Cl)ccc1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 3302691 RGHWXLQYEATPKG-UHFFFAOYSA-N 410.882 4.909 0 40 HJAB Cc1ccccc1-n1c(C)nnc1SCC(=O)N(Cc1ccccc1)C(C)(C)C 3424416 YNUPENZKJHYKTF-UHFFFAOYSA-N 408.571 4.804 0 40 HJAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 4109505 VYNWMUULWGMAKS-UHFFFAOYSA-N 420.340 4.694 0 40 HJAB CCOc1ccc(C(=O)C2CCN([C@@H](C)C(=O)Nc3c(C)cccc3C)CC2)cc1 4966659 PPDVKLIJLNGPMY-IBGZPJMESA-N 408.542 4.624 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1cc2sccc2n1Cc1ccc(F)cc1 4971343 VLTWIOJOUDRXNF-UHFFFAOYSA-N 408.454 4.914 0 40 HJAB aggregator COc1ccc(CCC(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1 5077341 UGKVIALNBRCZQW-UHFFFAOYSA-N 413.930 4.852 0 40 HJAB O=C(Cc1ccccc1)Nc1sc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2 5345808 AAHXAGAUEWMVEJ-UHFFFAOYSA-N 415.470 4.838 0 40 HJAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2Cl)c1 6263894 KPGWAMCDURXIDR-UHFFFAOYSA-N 410.326 4.859 0 40 HJAB COc1cc(C[C@H]2SC(=O)N(CC(C)C)C2=O)ccc1OCc1ccccc1F 6326133 VTINYXHSXVPFCV-HXUWFJFHSA-N 417.502 4.676 0 40 HJAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O 6580525 NFMBJCPFXHEFRC-XMMPIXPASA-N 418.880 4.657 0 40 HJAB COc1ccc(Cl)cc1NC(=O)COC(=O)/C=C/c1cccc(C(F)(F)F)c1 6602616 AWHWHXGUPCLFRL-VMPITWQZSA-N 413.779 4.563 0 40 HJAB COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1OCc1c(F)cccc1Cl 6606600 RCLFRRYTVNUSRR-UHFFFAOYSA-N 410.832 4.970 0 40 HJAB COc1ccccc1NC(=O)[C@]1(c2cccs2)CC(=O)N1c1ccc(Cl)cc1 6669841 XBUUYYHHJMAWIZ-OAQYLSRUSA-N 412.898 4.681 0 40 HJAB COc1ccc(OC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1 6747998 VCUITPDRVPFIJL-UHFFFAOYSA-N 404.850 4.789 0 40 HJAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1ccccc1Cl 6884607 NSBGTZHQOYKVQA-UHFFFAOYSA-N 401.841 4.758 0 40 HJAB CCc1sc2nc(SC[C@@H]3CCCO3)n(-c3cccc(OC)c3)c(=O)c2c1C 7147700 ZJFIYSUQQVIAIY-INIZCTEOSA-N 416.568 4.598 0 40 HJAB Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3F)cc2C1=O 7650907 VEFXBDOLKSNZLA-UHFFFAOYSA-N 408.816 4.840 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)c3ccc(Br)s3)n2C)c1 7778382 UTPZZKLZRBWIOE-UHFFFAOYSA-N 408.346 4.590 0 40 HJAB NC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 7986326 DQEHDQLAQQLARD-UHFFFAOYSA-N 407.282 4.860 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 8116203 VQWYHTAAUXLTON-MHWRWJLKSA-N 404.285 4.694 0 40 HJAB O=C(Cn1cnc2sccc2c1=O)Nc1cc(Cl)ccc1Oc1ccccc1 8244353 RIMZMRLWFITJRS-UHFFFAOYSA-N 411.870 4.542 0 40 HJAB Clc1cc(CSc2ncnc3c2cnn3-c2ccccc2)cc2c1OCCO2 8427902 NORFAXNUNHNWJJ-UHFFFAOYSA-N 410.886 4.532 0 40 HJAB Cc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(C)c2C)cc1Cl 8433507 TUUOCYGFJBFXNS-UHFFFAOYSA-N 416.905 4.556 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1F)c1ccccc1Cl 8810373 GTSWEBUHOKSGSV-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3ccc(Cl)s3)ccc1O2 8961303 SHYFOSSCYHIIOU-UHFFFAOYSA-N 420.899 4.869 0 40 HJAB Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](c3ccccc3)c3cccs3)n2)cc1 9665347 SZPIFKOLICRFFB-HXUWFJFHSA-N 420.563 4.840 0 40 HJAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCC[C@@H]1c1nc2ccccc2s1 10109547 HNWYCAOZORVGKZ-DRUFCSCSSA-N 400.507 4.859 0 40 HJAB COc1ccc2[nH]c(C)c(-c3csc(NC(=O)c4ccccc4NC(C)=O)n3)c2c1 11867264 PTFDGAKOCXALFN-UHFFFAOYSA-N 420.494 4.819 0 40 HJAB COc1ccc([C@@H](C)NC(=O)Cn2c(-c3cccs3)cc3cccnc32)cc1OC 12118271 OLUBHGUPBOWOMY-OAHLLOKOSA-N 421.522 4.659 0 40 HJAB CC(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)cs1 12219415 WOZFQIFTKUSULZ-UHFFFAOYSA-N 409.486 4.525 0 40 HJAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3cc(C(C)C)no3)cc2n1 12230296 XJTNGPKKLTVQMT-OAHLLOKOSA-N 421.423 4.535 0 40 HJAB O=C(C1CC1)N1CCC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 12257456 QOHZDASQYUPZMH-CYBMUJFWSA-N 420.460 4.593 0 40 HJAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N3CCCC3)c2c1 12437961 SSEVSOYREYXCDW-UHFFFAOYSA-N 410.539 4.683 0 40 HJAB Cc1cc(C)c2c(n1)N(Cc1ccccc1)[C@@H](c1ccc(Br)cc1)NC2=O 12446267 UMLAXAVCNXBCJE-FQEVSTJZSA-N 422.326 4.910 0 40 HJAB CCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)c1 12651293 FGJQGJXKMUSBFN-UHFFFAOYSA-N 400.482 4.942 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)C2CCCC2)c1 12746041 QJXZTQOOZGIAAS-UHFFFAOYSA-N 416.543 4.638 0 40 HJAB COc1ccc(OCc2noc(CN3CCC(c4c[nH]c5ccccc45)CC3)n2)cc1 12816924 XNRUMSZXVNEXHB-UHFFFAOYSA-N 418.497 4.518 0 40 HJAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(Br)cc3)n2)cc1 14245126 UKBWXIIDHSJLMX-GFCCVEGCSA-N 417.332 4.662 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c(C)c1 14426531 RDBRARBMGXSLSH-UHFFFAOYSA-N 420.962 4.692 0 40 HJAB O=C(NC(=S)NNc1ccccc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 17083326 IBINFNYBFBOKKY-UHFFFAOYSA-N 406.294 4.885 0 40 HJAB NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)CCC2CCCC2)C1 19348414 OWRQCUOLGMMWSI-XMMPIXPASA-N 410.583 4.632 0 40 HJAB Cc1cc(C)n(CCCC(=O)N[C@H](Cc2ccsc2)c2nc(C)c(C)s2)n1 19574152 PVHOYRFSAVNHMQ-GOSISDBHSA-N 402.589 4.515 0 40 HJAB CCCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H]3c3cc(C)ccc3C)[nH]n2)c1C 19719293 IOOARIUSKPCYTB-QFIPXVFZSA-N 405.546 4.894 0 40 HJAB O=C(NCc1ccccc1)N[C@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20522653 LEBOSLLBYNSMJS-HXUWFJFHSA-N 418.884 4.979 0 40 HJAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(O)cc1 21005543 ZGIDTHPBXXUVMJ-HSZRJFAPSA-N 411.461 4.731 0 40 HJAB C=C/C=C(\C=C/C)C1(CNC(=O)/C=C/c2ccc(OCC)c(OC)c2)CCOCC1 26808196 DFSMRDIYMLGUCC-FLPOWZNKSA-N 411.542 4.709 0 40 HJAB Cc1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCCCCC2)cc1 27584127 FXBMFYFQNFDGHI-KRWDZBQOSA-N 405.336 4.698 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)n[nH]2)c1 28229369 KEHZAQTUYHAORE-UHFFFAOYSA-N 415.497 4.508 0 40 HJAB COC(=O)c1ccc(/C=C2/S/C(=N/c3ccc(Cl)cc3Cl)NC2=O)cc1 35647221 SEXZJKPDNHALCZ-OVCLIPMQSA-N 407.278 4.672 0 40 HJAB COC(=O)c1c(NC(=O)N2CCC[C@H]2c2cccc(F)c2)sc2c1CCCC2 36620637 SHFWALYGOYJLDW-INIZCTEOSA-N 402.491 4.922 0 40 HJAB Cc1ccc(-c2csc3c(=O)n(CC(=O)Nc4ccc(C)c(C)c4)cnc23)cc1 38651716 CPUIPKNYSOQLED-UHFFFAOYSA-N 403.507 4.689 0 40 HJAB CCOc1ccccc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 38834304 RGMIAEXIDVVSKH-UHFFFAOYSA-N 417.347 4.699 0 40 HJAB COc1cc(-c2nn(CNc3ccccc3Cl)c(=S)o2)cc(OC)c1OC 39238760 WNPVBOPXVIDVDN-UHFFFAOYSA-N 407.879 4.621 0 40 HJAB O=C(CCCc1cccs1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40107804 VSSLJZSAAYPVOK-GOSISDBHSA-N 424.488 4.570 0 40 HJAB Cc1ccc(C)c(Oc2ccc(CNC(=O)c3[nH]c4c(c3C)C(=O)CCC4)cn2)c1 40112481 UNUMRKNOGGWAIS-UHFFFAOYSA-N 403.482 4.576 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)N[C@H](C)Cc2cccc(Cl)c2)no1 40112939 AYIKTJHDBXVIEX-CYBMUJFWSA-N 401.919 4.685 0 40 HJAB O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccc(F)cc1 55157313 KXYOITTUTNCREU-UHFFFAOYSA-N 407.464 4.539 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](C)c1ccc(Br)cc1 57315230 GLMMPQCWGOTTIR-GFCCVEGCSA-N 411.727 4.709 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3Cl)o2)c1C 59176145 KAYGCZOUJZKOOT-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB Cc1cc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccc1F 71326166 ZSUMUFSPHPPDFP-UHFFFAOYSA-N 421.563 4.508 0 40 HJAB C[C@@H]1CCC[C@H](n2c(SCc3cccc(C(N)=O)c3)nc3ccccc3c2=O)[C@@H]1C 95349918 UBPMOCMOHRLGNE-ZOCZFRKYSA-N 421.566 4.785 0 40 HJAB C[C@H](C(=O)Nc1nc(-c2cccnc2)cs1)c1ccc(C[C@@H]2CCCC2=O)cc1 95476390 CUIGGZNWFHRQSI-YJBOKZPZSA-N 405.523 4.859 0 40 HJAB O=C(NCCc1cccnc1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 96147746 IUXMWELMZLFPPR-UHFFFAOYSA-N 410.433 4.517 0 40 HJAB Cc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)c3ccccc32)s1 96669430 BNUAMWLHGZJQFD-ODLFYWEKSA-N 403.459 4.508 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 98073021 GBXDNKVMKGRGQA-UHFFFAOYSA-N 408.239 4.886 0 40 HJAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4ccccc4C)C3=C(O)C2)cc1OC 102656893 NZCIRJWRJSEJSZ-MWTRTKDXSA-N 416.481 4.669 0 40 HJAB O=C(O)c1ccccc1N/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21 102931025 APYDKWDLNIMMIM-CPNJWEJPSA-N 418.836 4.678 0 40 HJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC)c(OC)c3)N21 222657402 GQYGGFCBSOBVGD-MORSLUCNSA-N 403.935 4.732 0 40 HJAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)s2)cc1 223959477 XQOPZPBHNWHATK-VQTJNVASSA-N 408.552 4.587 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2C)cc1 224091218 MNJHURKDJLTRFN-LJQANCHMSA-N 422.550 4.638 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 225199932 XWVPTSYYNBPTRY-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB Cn1c(/C=C2/SCCN2C(=O)c2ccccc2Br)nc2ccccc21 225236756 UPCJYJWBBWXGGE-LDADJPATSA-N 414.328 4.523 0 40 HJAB CC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)C1 227056161 IYEKJECYTDIWBW-AUBMYDRESA-N 409.501 4.592 0 40 HJAB Cc1ccc(C(C)C)c(OCCn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)c1 408569849 JYQBDNSYZKPROS-UHFFFAOYSA-N 418.537 4.957 0 40 HJAB O=C(NCc1ccccc1Cl)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408676393 NMVWJHOKIGPOAQ-UHFFFAOYSA-N 406.844 4.898 0 40 HJAB Cc1[nH]c(C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(C)c1C(=O)OC(C)C 505482701 BDWYWECCXBCEGV-ZBFHGGJFSA-N 408.420 4.501 0 40 HJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1cccc(Br)c1 575610464 NKIYLSXSLVHJMQ-GOSISDBHSA-N 402.313 4.641 0 40 HJAB O=C(CCc1ccccc1Br)NC[C@@H](c1ccsc1)c1ccco1 675007957 HMCROWIGUZOAPE-INIZCTEOSA-N 404.329 4.985 0 40 HJAB O=C(Nc1ccc(Cl)cc1)c1nc2c(s1)CCN(CCc1ccccc1)CC2 1201597029 QWZJZPYPYGXUAB-UHFFFAOYSA-N 411.958 4.692 0 40 HJAB C[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 825713 WJJLJYVRHMKFPI-CJAUYULYSA-N 416.546 4.952 0 40 HJAB O=C1Nc2ccccc2[C@]12CC(c1ccc(F)cc1)=NC(=S)N2c1ccc(F)cc1 1087366 UAEZSGAQBSSTSC-HSZRJFAPSA-N 419.456 4.797 0 40 HJAB CCOc1cc(-c2ccc(I)o2)cc(=O)c2c(C)oc(C)c12 1094554 UFCRDMVNWNEFJK-UHFFFAOYSA-N 410.207 4.673 0 40 HJAB biogenic CCNC(=S)N(Cc1ccc(Cl)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 1222377 RVWPOVQLFWIQSF-UHFFFAOYSA-N 413.974 4.695 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1Cl 1346488 BBSCPZLUATVFDX-UHFFFAOYSA-N 423.929 4.817 0 40 HJAB COc1ccc(CS(=O)(=O)c2nc(-c3ccccc3)c(-c3ccccc3)n2C)cc1 1388807 FALUYTQSZAVABL-UHFFFAOYSA-N 418.518 4.737 0 40 HJAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(OC)c(OC)c2)cc1 2238373 ZNMBESVHRCPNEO-UHFFFAOYSA-N 412.449 4.662 0 40 HJAB COc1ccc(CC(=O)Nc2nn(CC(C)C)c3nc4c(C)cccc4cc23)cc1 2403727 WCSDOVUFAWHQDC-UHFFFAOYSA-N 402.498 4.739 0 40 HJAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3c(F)cccc3Cl)n2)c1 2629201 OOLOTAFBCDGJAE-UHFFFAOYSA-N 406.866 4.801 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)sc2c1CCCC2 3286475 XAJHQGQDEAHGAH-LBPRGKRZSA-N 407.919 4.863 0 40 HJAB O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ccc(OC(F)(F)F)cc1 3326886 RTGOJNYUSNXXMX-UHFFFAOYSA-N 422.186 4.616 0 40 HJAB CC(C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1 4059401 UZFJYWYORIGNIB-UHFFFAOYSA-N 410.587 4.600 0 40 HJAB COc1ccccc1NC(=O)CSc1nccn1-c1cccc(C(F)(F)F)c1 4248705 MOOOOORYFUZDOY-UHFFFAOYSA-N 407.417 4.631 0 40 HJAB COc1ccc(-c2ccc(SCC(=O)Nc3cc(Cl)ccc3OC)nn2)cc1 4355750 XNRXOGNFFWXJNI-UHFFFAOYSA-N 415.902 4.545 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1NC(=O)c2c(sc3c2CC[C@H](C)C3)N1 4543291 MCBSQBXFUYHANF-JEOXALJRSA-N 412.946 4.875 0 40 HJAB CCC(C)(C)n1nnnc1[C@H](c1cccc(C(F)(F)F)c1)N1CCc2ccccc21 4925127 MUABTSQNCMRAFS-IBGZPJMESA-N 415.463 4.989 0 40 HJAB O=C(OCCN(C1CCCC1)C1CCCC1)C(O)(c1ccccc1)c1ccccc1 5046298 ANMUIGQFOKGNKF-UHFFFAOYSA-N 407.554 4.653 0 40 HJAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cccc(NC(=O)c2cccs2)c1 5089719 PWJHGMUMAPVAMW-UHFFFAOYSA-N 404.447 4.521 0 40 HJAB Clc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3cnccn23)cc1 6659154 UCJJUYFMPGFFIP-UHFFFAOYSA-N 405.889 4.630 0 40 HJAB Cc1ccc(/C=C/C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)o1 6787858 NRXBSSPAPOZPEY-CCEZHUSRSA-N 401.506 4.776 0 40 HJAB O=C(CN1CCC[C@@H]1c1cccs1)N1CCC[C@H](c2nc3ccccc3s2)C1 7363013 WKPACDBSEVPPRR-FUHWJXTLSA-N 411.596 4.901 0 40 HJAB Cc1ccsc1CN(C[C@H]1CCCO1)C(=O)COc1cc(C)c(Cl)c(C)c1 8869420 PBHKRHYYJINZBO-QGZVFWFLSA-N 407.963 4.913 0 40 HJAB O=C(C[C@@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccc(Cl)s1 8927795 JDSIJCUWOXPIQG-NRFANRHFSA-N 415.873 4.548 0 40 HJAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 9156492 ATIDUQRAJSCPIL-NRFANRHFSA-N 404.466 4.908 0 40 HJAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)cc1 9198990 FBBLKZFUOOPDOW-SFHVURJKSA-N 423.944 4.974 0 40 HJAB COc1ccc(-c2csc3nc(C)nc(Nc4ccc(C(N)=O)cc4)c23)cc1OC 9464461 QJPAMAOFJOTEDK-UHFFFAOYSA-N 420.494 4.526 0 40 HJAB O=C(CSc1nncn1-c1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl 9562321 HQYMLRGFHPACOQ-UHFFFAOYSA-N 413.717 4.958 0 40 HJAB Cc1cccc(NC(=O)Nc2nc(CC(=O)N3c4ccccc4C[C@@H]3C)cs2)c1 9784383 NSRSFWBTYGCQSX-HNNXBMFYSA-N 406.511 4.616 0 40 HJAB Nc1nc(COC(=O)c2cnc(Cl)c(Cl)c2)nc2sc3c(c12)CCCCC3 10394002 YRTYFFJFUNLIGM-UHFFFAOYSA-N 423.325 4.601 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(C)cc2)OC3=O)cc1 11666583 YMARHKLYRZZHKK-QHCPKHFHSA-N 414.461 4.660 0 40 HJAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)N3CCC[C@H]4CCCC[C@@H]43)c(=O)c12 12765259 WSWIZUZXSPDHLN-MJGOQNOKSA-N 421.566 4.615 0 40 HJAB CCCc1noc([C@H](C)Sc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)n1 12910575 PGIWYAIMXAKHDM-LBPRGKRZSA-N 406.939 4.895 0 40 HJAB O=C(CCSCCCOc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 13017562 ORJRYJZQRCJTFD-UHFFFAOYSA-N 407.919 4.642 0 40 HJAB COc1ccc([C@@H]2SCC(O)=Nc3c2c(C)nn3[C@H]2CCOC(C)(C)C2)cc1 13123346 WFSCFDJYVYIFDV-KXBFYZLASA-N 401.532 4.754 0 40 HJAB Cc1nc(SC(F)F)nc(C)c1CCC(=O)OCc1c(F)cccc1Cl 13150393 FMJKEYQUITYERZ-UHFFFAOYSA-N 404.841 4.877 0 40 HJAB CSc1nnc(CCNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1C(C)C 13565270 KBWAFCUQOMIKRR-UHFFFAOYSA-N 421.876 4.617 0 40 HJAB COc1ccc(CN(Cc2cccnc2)Cc2cccs2)cc1Cn1cccn1 13569748 AIZFLINTKNGXJR-UHFFFAOYSA-N 404.539 4.599 0 40 HJAB CC[C@H](C(=O)Nc1ccc2ccccc2c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716142 QMOYANHELVFONU-JOCHJYFZSA-N 410.539 4.640 0 40 HJAB CCOc1ccc(N2C(=O)CN(c3ccc(C)c(C)c3)C(=O)[C@H]2c2ccccc2)cc1 15412665 GPYFYIFXAPUNBL-RUZDIDTESA-N 414.505 4.823 0 40 HJAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1 17088776 IZJCGFBIQFHNOP-UHFFFAOYSA-N 411.296 4.504 0 40 HJAB O=C(NCCc1ccc(Cl)cc1)c1cccc(OCc2cn3ccccc3n2)c1 17906800 DIOPACHSUGPLGL-UHFFFAOYSA-N 405.885 4.539 0 40 HJAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cccc3cccnc23)C1 19702210 KXZDMDMWAREAJA-QGZVFWFLSA-N 416.550 4.536 0 40 HJAB CC(C)Nc1n[nH]c2nc([C@@H]3CCCN3C(=O)C3CCCC3)cc(C(F)(F)F)c12 19742409 OXPQPCRGIGPNRA-HNNXBMFYSA-N 409.456 4.651 0 40 HJAB Cc1ccccc1CSCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20111565 JWSIUHJWDVSOHW-UHFFFAOYSA-N 413.564 4.999 0 40 HJAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N[C@H]1CCCc2ccccc21 20485263 PTFLWNBGPAHBLT-QHCPKHFHSA-N 420.534 4.603 0 40 HJAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N(C)Cc1ccc(Cl)c(Cl)c1 22010776 MSZXEMOAWUAAHP-LBPRGKRZSA-N 403.317 4.697 0 40 HJAB CCOc1cc(CNc2nnnn2CC)cc(Cl)c1OCc1ccccc1Cl 22111940 CLHGKACQPYQVKX-UHFFFAOYSA-N 422.316 4.590 0 40 HJAB COc1ccc(CCC(=O)NC[C@@H](c2ccsc2)N2CCc3ccccc3C2)cc1 22766033 MVDXYMPMVXMZPU-DEOSSOPVSA-N 420.578 4.605 0 40 HJAB CC1=C(CC/C(C)=C\CCC2=CC[C@H](C3=CC(=O)O[C@H]3O)O[C@@H]2O)C(C)(C)CCC1 25724820 FGJIDQWRRLDGDB-OLCHPRBYSA-N 416.558 4.855 0 40 HJAB CC(=O)Nc1c(-c2ccc(C)cc2)nc2c(Br)cc(Br)cn12 27794661 BUVJFTRSSHXCRK-UHFFFAOYSA-N 423.108 4.793 0 40 HJAB O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1cccc(Br)c1 28574311 VSVIAQOQMLXJED-UHFFFAOYSA-N 408.658 4.739 0 40 HJAB COc1cccc([C@@H](CNCc2ccc(OCc3ccncc3)cc2)N2CCCC2)c1 30544747 BTJQKBLPNZKSDI-AREMUKBSSA-N 417.553 4.596 0 40 HJAB O=c1c(Cl)c(Cl)cnn1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 31682861 FNTIOIVLPRAOSR-UHFFFAOYSA-N 419.699 4.650 0 40 HJAB O=C(CC(=O)N1CCN=C1Nc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 31751037 SUMKAYJISXXSPW-UHFFFAOYSA-N 410.688 4.530 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCc1cccc(Cl)c1Cl 32924441 CYEZKIOKIGQHNN-UHFFFAOYSA-N 402.325 4.829 0 40 HJAB CCc1ccc2[nH]c(CSCC(=O)Nc3ccc(C)c(Cl)c3)cc(=O)c2c1 33064301 KNPPNPAXXJPWGA-UHFFFAOYSA-N 400.931 4.924 0 40 HJAB CCCN(CC(=O)Nc1ccc2c(c1)OCO2)[C@@H](C)c1ccccc1Br 36397214 FJDZWIONRXGZCH-AWEZNQCLSA-N 419.319 4.590 0 40 HJAB COC(=O)c1ccn(Cn2nc(-c3ccc(C)cc3)c(Cl)c2-c2ccc(C)cc2)n1 36611276 FFQBQOCOMKIGGD-UHFFFAOYSA-N 420.900 4.976 0 40 HJAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1nccs1 44086974 ZRVQAFZBUGKNTJ-UHFFFAOYSA-N 410.499 4.866 0 40 HJAB O=C(Nc1cccc(Br)c1)c1cc(-c2ccc(Br)cc2)[nH]n1 44837424 KWTMQVSVVHGBMW-UHFFFAOYSA-N 421.092 4.854 0 40 HJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2ccc(F)c(F)c2)c1 57315519 RGYNQTBPTKAGHV-INIZCTEOSA-N 423.463 4.815 0 40 HJAB COc1ccc([C@@H](NC(=O)CCCc2c[nH]c3ccccc23)C(F)(F)F)cc1OC 58162436 PCCJOWWKDNIUIU-OAQYLSRUSA-N 420.431 4.928 0 40 HJAB CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@H]3C(=O)Nc3nccs3)cc2C1 58779514 RYOKLJWBGKMFPV-CABCVRRESA-N 417.600 4.599 0 40 HJAB CCCCc1ccc(NC(=O)CSc2nc3ccccc3n3c(CC)nnc23)cc1 64949157 DBRXWWOXYZCQCJ-UHFFFAOYSA-N 419.554 4.913 0 40 HJAB C[C@@H](NC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1)c1ccc(F)cc1 67261718 WBXOWBAVKKXFOS-CQSZACIVSA-N 421.863 4.613 0 40 HJAB O=c1c(-c2nc(-c3ccsc3)no2)cccn1Cc1ccccc1C(F)(F)F 77100859 AIBJGAZFCNJGHS-UHFFFAOYSA-N 403.385 4.694 0 40 HJAB CC(C)Cn1ccc2c(NC(=O)Cc3nn(C(C)C)c(=O)c4ccccc34)cccc21 79474606 SIZHLNATTNLPNU-UHFFFAOYSA-N 416.525 4.769 0 40 HJAB Cc1csc(-c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)cc2)n1 84271383 DVWONXWDWKMKPW-UHFFFAOYSA-N 411.552 4.800 0 40 HJAB CCOC(=O)CCN(C(=O)Cc1csc(Cc2cccc(Cl)c2)n1)C(C)(C)C 95997586 KSIKNSQZZCEQRW-UHFFFAOYSA-N 422.978 4.510 0 40 HJAB Cc1c(Cl)cccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 98211331 UBLSVJMKEAIEKC-UHFFFAOYSA-N 410.836 4.945 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]2(O)[C@@H](C)OC(C)=O)C1 118917405 COXXOOWTEWCQRW-DKHYVWHOSA-N 420.590 4.644 0 40 HJAB COc1ccc(Br)c(C(=O)NCc2cncc(-c3ccsc3)c2)c1 206944452 FPQOPLXFVCXFEM-UHFFFAOYSA-N 403.301 4.511 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 222948447 IHHVLYXZASCXQN-QGZVFWFLSA-N 418.990 4.766 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 223141863 AOOHHQCQXNOBEL-SFHVURJKSA-N 400.950 4.525 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224144317 WMYGULAOGQZFNY-FQEVSTJZSA-N 412.599 4.585 0 40 HJAB CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224897331 POTHJSYUFQIJME-UHFFFAOYSA-N 420.840 4.532 0 40 HJAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1cc(C(F)(F)F)ccc1Cl 225734677 DVPXTVHBTUBVTK-UHFFFAOYSA-N 415.198 4.966 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)N1CC[C@H](Oc2ccc3ccccc3n2)C1 225740047 VBSAGUXKTPXHES-HNNXBMFYSA-N 401.388 4.939 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)cc1 225795442 DVCFLBGTLZDDAU-UHFFFAOYSA-N 403.482 4.585 0 40 HJAB COc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Br)c(C)c2)o1 227147831 ORFOABZRILRVCI-UHFFFAOYSA-N 401.260 4.861 0 40 HJAB O=C(COc1ccccc1F)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257302094 SBMWSIHDBGXVAF-IBGZPJMESA-N 414.864 4.800 0 40 HJAB Fc1ccc(COc2cccc(C(=S)N3CCN(Cc4ccccc4)CC3)c2)cc1 408577458 SPQFFDIDEMTNIE-UHFFFAOYSA-N 420.553 4.898 0 40 HJAB CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 408653945 FSMLEQAEXOSLIM-HUUCEWRRSA-N 416.315 4.921 0 40 HJAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1 408705446 GADZCOJAPGNUNL-UHFFFAOYSA-N 412.873 4.661 0 40 HJAB CCOc1c(Cl)cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1OC 408785134 YVOWKOQXNAFFIG-SARUNTBLSA-N 418.946 4.909 0 40 HJAB CCCCCC1=NN(C(=O)CSCc2ccccc2Cl)[C@@](O)(C(F)(F)F)C1 409180973 ZZUGGGKNUPOPFQ-KRWDZBQOSA-N 422.900 4.993 0 40 HJAB CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(C(=O)O)c1 409385868 NQHIDWDXYHTHLW-UHFFFAOYSA-N 403.891 4.521 0 40 HJAB O=C(NC[C@@H]1CCN(C2CC2)C1)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 503290844 XZWYTUAMXDIOIY-YCRPNKLZSA-N 419.352 4.714 0 40 HJAB Cc1cccc(-n2ccnc2S(=O)(=O)Cc2csc(C3CCCCC3)n2)c1 510177709 VRXMGLUEJAGXSG-UHFFFAOYSA-N 401.557 4.659 0 40 HJAB COc1cc(NC(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)c(OC)c(C)c1OC 567524909 MWXLNIDHBIUTHA-REPLKXPHSA-N 410.514 4.963 0 40 HJAB CC1CCN(C(=O)C[C@H](CN2Cc3ccccc3C2=O)c2ccc(Cl)cc2)CC1 1565524821 OSKTVJMFLNDEFA-HXUWFJFHSA-N 410.945 4.728 0 40 HJAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)c3ccc(F)cc3F)CC2)cc(C)c1Cl 2037912369 KMHCKWZQFQJJIU-JOCHJYFZSA-N 423.887 4.671 0 40 HJAB COc1cc(CN2CCC(C(=O)NCCC(C)C)CC2)ccc1OCc1ccccc1 785879 CHSKJZQNPPWCFL-UHFFFAOYSA-N 424.585 4.649 0 40 HJAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 835306 LGWCRRIXTQXAIZ-UHFFFAOYSA-N 414.914 4.559 0 40 HJAB O=c1oc2ccc(Br)cc2cc1-c1nnc(Nc2cccc(F)c2)s1 856312 RIGSNCBSZUJCOV-UHFFFAOYSA-N 418.247 4.957 0 40 HJAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)NCc3ccccc3)C3CCCC3)cc2c1 931501 MUSDBAZVPIDTDC-UHFFFAOYSA-N 419.594 4.964 0 40 HJAB COc1ccc(NC(=O)CSc2nc3ccccc3c3c2CCCC3)cc1OC 1346359 LHFIEOQTCDAGFE-UHFFFAOYSA-N 408.523 4.862 0 40 HJAB COc1ccc(-c2cc(CNC(=O)c3cc(-c4ccccc4Cl)no3)on2)cc1 1389679 OICPBVACXCFACM-UHFFFAOYSA-N 409.829 4.589 0 40 HJAB O=C(O)c1ccccc1C(=O)n1c(-c2cccc(Br)c2)nc2ccccc21 1447784 IILAQRHNPSCBHT-UHFFFAOYSA-N 421.250 4.853 0 40 HJAB CCc1ccccc1OCCn1c(-c2ccc(OC)cc2)nc2ccccc2c1=O 2337922 GDRGJPSVWMKFJN-UHFFFAOYSA-N 400.478 4.714 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)N1CCN=C1SCc1cccc2ccccc12 2711758 YSBNDNHWWLIWFH-UHFFFAOYSA-N 416.955 4.787 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N1CCc2ccccc21 3262949 NGGDESUATZAKMG-UHFFFAOYSA-N 412.518 4.616 0 40 HJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1C 3272567 SPQVKGFDAWISQN-UHFFFAOYSA-N 418.280 4.603 0 40 HJAB Cc1cc(C)n2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)nc2n1 3467437 FWJBLMYIKJJLDS-UHFFFAOYSA-N 419.535 4.663 0 40 HJAB O=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1ccc(Br)o1 3582224 YKYGZYPZYHBHAF-UHFFFAOYSA-N 409.243 4.542 0 40 HJAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 4090956 WLODLJGTYACJHB-MDWZMJQESA-N 400.503 4.793 0 40 HJAB COC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CCCCC2 4194742 SZRIUPRRZWBVFV-UHFFFAOYSA-N 414.346 4.880 0 40 HJAB CCOc1ccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2O)cc1 4705260 RJUCYEHDSIYPMZ-UHFFFAOYSA-N 406.935 4.869 0 40 HJAB O=C(O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2cccc(F)c2)cc1 4928686 UEUISRCESMBVCV-QFIPXVFZSA-N 413.408 4.664 0 40 HJAB CC(=O)O[C@@H]1CC[C@H]2[C@H]3CCc4cc(OC(=S)N(C)C)ccc4[C@@H]3CC[C@@]21C 5064977 GQZNFJMIFMSYRX-XANJAXJYSA-N 401.572 4.700 0 40 HJAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc3c(c2)oc2ccccc23)c1 5986190 QQXVINNARABQBO-UHFFFAOYSA-N 406.463 4.730 0 40 HJAB COc1cc(Br)cc2c1Oc1nc(-c3ccccc3)nc(S)c1C2 6008466 BMCQVVLZXUQOJI-UHFFFAOYSA-N 401.285 4.900 0 40 HJAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 6629877 CDZZPGNFJFSLAS-UHFFFAOYSA-N 410.370 4.962 0 40 HJAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1 6649147 VVEPVLZXMRNQTJ-UHFFFAOYSA-N 413.477 4.746 0 40 HJAB O=C(NCCc1ccco1)c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 8312456 JFRCXQPKOOZKSI-UHFFFAOYSA-N 405.885 4.817 0 40 HJAB O=c1c2ccccc2nnn1CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 9099382 KMAFFBDLBFJLAH-UHFFFAOYSA-N 423.548 4.721 0 40 HJAB CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(F)cc1 9250383 HVDJHCXOGRTCHO-UHFFFAOYSA-N 424.497 4.764 0 40 HJAB C[C@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 9504067 ZSSGKBZTSYRFMC-KRWDZBQOSA-N 400.478 4.834 0 40 HJAB Clc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)cc1 9762072 AYXWZKZYRFGQHG-UHFFFAOYSA-N 417.300 4.502 0 40 HJAB COC(=O)c1c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)sc2c1CCCC2 11915945 HWZLECWDSGJYRF-UHFFFAOYSA-N 416.886 4.974 0 40 HJAB Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 12441117 RBJIIMVQAKDPKG-UHFFFAOYSA-N 415.415 4.656 0 40 HJAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12577945 QCLUWSMHJWPYFB-JOCHJYFZSA-N 402.494 4.529 0 40 HJAB Cc1cc(-n2c(C)cc(C(=O)COc3c(Cl)cc(C(=O)O)cc3Cl)c2C)no1 12771417 SYAUVCRSSBMXAN-UHFFFAOYSA-N 423.252 4.657 0 40 HJAB COc1cc(CSc2nc(CC(=O)Nc3ccc(C)cc3)cs2)cc(OC)c1 13010328 PCIRHMROFUFVHG-UHFFFAOYSA-N 414.552 4.942 0 40 HJAB CC1CCN(c2nc3sc(C(=O)N4CCCCC4)c(N)c3c3c2CCCC3)CC1 13625462 ARMJGSKSSNOFBT-UHFFFAOYSA-N 412.603 4.620 0 40 HJAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631114 DGYOHOMRWDPLKN-LJQANCHMSA-N 402.494 4.972 0 40 HJAB CC[C@@H](C(=O)Nc1cccc2ccccc12)N(c1cccc(Cl)c1)S(C)(=O)=O 13711996 IIICNDSVGQBFST-FQEVSTJZSA-N 416.930 4.677 0 40 HJAB CC(C)C[C@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2ON1c1ccccc1 13757666 VWOCTRMVELYDAU-VABKMULXSA-N 400.478 4.564 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(F)ccc3C)C2)c2ccccc12 16884332 MYFNTBKBGJWYRC-QGZVFWFLSA-N 420.484 4.787 0 40 HJAB CCN(Cc1ccnn1C)[C@H]1CCO[C@@H](c2ccccc2-c2ccc(OC)cc2)C1 19711899 ZOJZSWCZHKWKNO-NBGIEHNGSA-N 405.542 4.838 0 40 HJAB COc1cccc(-c2nnc(CSc3nnc(COc4ccc(C)c(C)c4)o3)o2)c1 19928065 JRRRFQGEHQKKSY-UHFFFAOYSA-N 424.482 4.616 0 40 HJAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)CC(O)=N2 20739309 HBSZBDGDBJSRJF-HXUWFJFHSA-N 411.465 4.673 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c(C)c1 20765619 QWQXJPLWUYBUDO-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB CCOc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccccc2)no1 21524620 XZSQKVPEEJXOLI-UHFFFAOYSA-N 415.449 4.820 0 40 HJAB O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1)c1cc(-c2ccccc2)on1 21805381 CLMHWLJISKMDTP-NRFANRHFSA-N 409.917 4.952 0 40 HJAB CCOc1ccccc1-c1noc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)n1 24668119 UEOCCAFDHUBTKC-MRXNPFEDSA-N 404.470 4.656 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)COc3ccc(C(C)C)cc3)cs2)cc1 27993675 LQYAXLDQPLWKGN-UHFFFAOYSA-N 410.539 4.680 0 40 HJAB O=C(Nc1ccc(Cl)cc1Cl)c1cn(-c2ccccc2Br)nn1 31873153 XZSFKRIBTWVSKW-UHFFFAOYSA-N 412.074 4.589 0 40 HJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc3cccc(Br)c3o2)c1 32924550 XFHQNIJHFBRYSF-LLVKDONJSA-N 401.260 4.645 0 40 HJAB Cc1cc(C(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)c2cnn(C)c2n1 36616699 LBGPMSWWFZMCOU-UHFFFAOYSA-N 424.508 4.544 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ncnn23)c(C)c1 36619293 AYFFBBUYRSZXLF-HNNXBMFYSA-N 405.889 4.553 0 40 HJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCC(=O)c1ccc2c(c1)CCC2 40039846 PPTUHVHGMFQLIA-UHFFFAOYSA-N 411.452 4.542 0 40 HJAB CN(C)[C@H](CNC(=O)c1ccccc1SC[C@@H]1CCCO1)c1ccccc1Cl 40047565 NWEFIXPIUWHVQA-OXJNMPFZSA-N 418.990 4.644 0 40 HJAB Cc1c(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)oc2c1C(=O)CCC2 40134212 MEXDUQSPXSOAGV-MRXNPFEDSA-N 416.477 4.850 0 40 HJAB Cc1nn2c(nnc3c(=O)n(CCC4=CCCCC4)ccc32)c1-c1ccc(Cl)cc1 40395982 LMLLOVDBFMNQLT-UHFFFAOYSA-N 419.916 4.959 0 40 HJAB CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2nc3ccccc3s2)s1 44892561 QGEFMXQQOLQDPE-UHFFFAOYSA-N 422.535 4.867 0 40 HJAB Cc1cccc(CN2CCC(C(=O)NCCCc3cccc(OC(C)C)c3)CC2)c1 44916134 UDVSLVVBHYZQTM-UHFFFAOYSA-N 408.586 4.743 0 40 HJAB CCc1nnc2c(SCC(=O)Nc3cc(Cl)ccc3C)nc3ccccc3n12 49421777 OQYKEUVYPHEBDQ-UHFFFAOYSA-N 411.918 4.533 0 40 HJAB Cc1cc(Br)ccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364561 LOOWIZSBIYUCPH-QGZVFWFLSA-N 423.310 4.916 0 40 HJAB CC(C)n1nc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c2ccccc2c1=O 54690486 DFOSDLYCISCJJS-UHFFFAOYSA-N 413.880 4.575 0 40 HJAB Cc1ccccc1N1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 57322761 QUXVGXUGMCYSRS-INIZCTEOSA-N 416.447 4.947 0 40 HJAB Cc1c(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)cccc1C(=O)N1CCCC1 60303906 YOVMECYUILTNNZ-UHFFFAOYSA-N 422.916 4.631 0 40 HJAB C[C@H](OC(=O)/C=C/c1ccc(Br)s1)c1nnc(-c2cccs2)o1 61141346 VDUSDQKURCWOBE-IWGCBNPKSA-N 411.302 4.940 0 40 HJAB COc1ccc(Cl)cc1C(=O)N1CCC(Cn2ccnc2-c2ccccc2)CC1 62130211 UJKQIHGMBUOMER-UHFFFAOYSA-N 409.917 4.765 0 40 HJAB COCc1nc(C(=O)N2CC[C@H](C)Sc3ccc(C(F)(F)F)cc32)cs1 70039829 SOMLVGPNYGGNKR-JTQLQIEISA-N 402.463 4.839 0 40 HJAB O=C(CCn1ccc2cc(OCc3ccccc3)ccc21)Nc1nnc(C2CC2)s1 71286739 VPBUZIYBCFTXDT-UHFFFAOYSA-N 418.522 4.978 0 40 HJAB Cc1cccc(NC(=O)CSCC(=O)N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)c1 72304726 OKQZBNUPNLEPFC-QFBILLFUSA-N 400.544 4.568 0 40 HJAB CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)CCCc4ccc(F)cc4)C3)ccc12 72374477 QOHWJWYZINLREZ-GOSISDBHSA-N 423.536 4.646 0 40 HJAB COc1cccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)c1 96221826 KQZNRESJLJZRSR-IBGZPJMESA-N 414.413 4.615 0 40 HJAB biogenic COc1cccc(-c2ccc3cc(C(=O)NC4CCCC4)c(-c4cocn4)n3c2)c1 96267044 SDTNGKNEQGVSFU-UHFFFAOYSA-N 401.466 4.942 0 40 HJAB CC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)cc1 102531631 URZCERNAARKDSN-OYRHEFFESA-N 403.478 4.659 0 40 HJAB COC(=O)c1ccc([C@@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc1 102739492 NACDCRJZUCNYNT-UGSOOPFHSA-N 422.466 4.547 0 40 HJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCN 118926653 RQLXCBXLAWPNRI-XRAHEMMWSA-N 417.634 4.941 0 40 HJAB COc1cc(C(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)cc(OC)c1OC 206877715 QSIXNDLOYNMAGI-INIZCTEOSA-N 403.906 4.776 0 40 HJAB Cc1cc(OCC(=O)NCCCc2ccccc2Cl)cc(C)c1Br 218839828 SIAKLTAUFCUDDF-UHFFFAOYSA-N 410.739 4.847 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(C)c1 224108257 DUOMIKKIYXSDHX-LJQANCHMSA-N 422.550 4.620 0 40 HJAB CCc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(OC)cc2)cc1 224906871 GULDZWBXCFBYAP-QNGOZBTKSA-N 406.507 4.729 0 40 HJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)ccc1Br 224917616 OMHVYOSTQKLKMT-ROUUACIJSA-N 414.328 4.923 0 40 HJAB Cc1ccccc1C1(CNC(=O)c2cc(Br)ccc2Cl)CCOCC1 225076617 VFWDWDBBQUEMJU-UHFFFAOYSA-N 422.750 4.889 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225101914 FJGBYSCDYHHJGL-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB CCOc1ccc(-c2noc(CNC(=O)CCc3ccc(Cl)c(Cl)c3)n2)cc1 225341045 MOZPYNSXWQFXID-UHFFFAOYSA-N 420.296 4.691 0 40 HJAB Cc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225586599 GEWPUMLROQLESF-KRWDZBQOSA-N 418.940 4.583 0 40 HJAB NNc1nc2c(Br)cc(NC(=O)c3cccc4ccccc34)cc2s1 226311486 AVYVJGKOEDIZEY-UHFFFAOYSA-N 413.300 4.750 0 40 HJAB Cc1cccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccncc2)c1 409096408 LCDGQTIFLCWSSA-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O 409231777 MENZIDVVMGUNDG-GZTJUZNOSA-N 405.281 4.875 0 40 HJAB CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)NC1CCCCC1 409357640 BCZUPDJBYSDQAR-UHFFFAOYSA-N 418.632 4.581 0 40 HJAB CC(=O)NC1CCC(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)CC1 574562252 OULFLUZRTFTDJH-UHFFFAOYSA-N 421.566 4.691 0 40 HJAB CC(C)C(=O)N1CCC2(CCCCc3ccccc3OCCN(CC3CC3)C2)CC1 643570409 DHNOJWLPCSMROS-UHFFFAOYSA-N 412.618 4.769 0 40 HJAB CCc1cc(OC)c(OC)cc1[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1 668000 ZHWIYVHOOMFMST-QHCPKHFHSA-N 419.521 4.989 0 40 HJAB CCOC(=O)c1sc(NC(=O)[C@H](CC)c2ccccc2)c(C(=O)OCC)c1C 668451 OBAZMIXOVFFRHS-OAHLLOKOSA-N 403.500 4.542 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1)C1CCC1 1238231 COSAKJYCVRDJJA-UHFFFAOYSA-N 421.497 4.891 0 40 HJAB O=C(Nc1ccc2nc(C3CC3)n(Cc3ccc(F)cc3)c(=O)c2c1)C1CCCCC1 1363106 ZIZFLZHSWIEVJW-UHFFFAOYSA-N 419.500 4.980 0 40 HJAB CC(C)(C)OC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc12 2254200 ASEGPTHAJFMJFE-UHFFFAOYSA-N 412.852 4.904 0 40 HJAB COc1ccc(-c2c(NC(=O)c3ccc(F)cc3)n(C)c3ccccc3c2=O)cc1 2352915 WLCPOWSVZUDWNY-UHFFFAOYSA-N 402.425 4.606 0 40 HJAB COc1cc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC 2624505 UIOAZAZVNWMOIH-UHFFFAOYSA-N 417.811 4.956 0 40 HJAB O=C(Nc1nc2c(s1)CSc1ccccc1-2)c1cncc(Br)c1 2636107 WOVKPADOHXADOO-UHFFFAOYSA-N 404.314 4.826 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2C)cc1 2764649 XKGCCXYHIXHGJH-UHFFFAOYSA-N 424.353 4.964 0 40 HJAB Cc1ccc(OCn2ccc(C(=O)Nc3ccc(Br)cc3C)n2)c(C)c1 2796276 PMANVAYPZZJWSA-UHFFFAOYSA-N 414.303 4.860 0 40 HJAB FC(F)(F)c1ccc(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)nc1 3408091 GOCVFHRHIKSGSC-LBPRGKRZSA-N 412.462 4.751 0 40 HJAB CCSc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)s1 3491766 YZPIRKOLGDUYKF-UHFFFAOYSA-N 413.553 4.817 0 40 HJAB COc1cccc2sc(N(Cc3cccnc3)C(=O)/C=C/c3ccccc3)nc12 4273232 SALIKEXQEBQNPH-OUKQBFOZSA-N 401.491 4.947 0 40 HJAB O=C1N(Cc2ccccc2)c2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 4301261 ZWYMFDNDEVCVMP-UHFFFAOYSA-N 407.469 4.979 0 40 HJAB O=C(CS(=O)(=O)c1ccc2ccccc2c1)N(c1ccccc1)c1ccccc1 4816052 KSXMDTAUYXIEIB-UHFFFAOYSA-N 401.487 4.978 0 40 HJAB CO[C@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2S[C@H]12 4945782 JORMVECOVONDLI-ZJZGAYNASA-N 404.531 4.850 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CN1CCC(c2nc3ccccc3s2)CC1 4966450 NBFPSQGTIYWBKO-UHFFFAOYSA-N 415.946 4.776 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)c(C)c2)sc2c1CCCC2 6047363 GGNQUUAFRUJFEE-UHFFFAOYSA-N 407.919 4.783 0 40 HJAB CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3csc(-c4ccccc4)n3)C2=O)cc1 7777914 XJQRESOUYOYKFO-QHCPKHFHSA-N 405.523 4.901 0 40 HJAB COc1cc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc(OC)c1OC 8115168 WAEHEMMMKMZONH-OAQYLSRUSA-N 409.507 4.562 0 40 HJAB Cc1nc(SCC(=O)Nc2ccccc2Oc2ccccc2)c(C(N)=O)c(C)c1C 8704911 FGGVMXXWKRJQOZ-UHFFFAOYSA-N 421.522 4.629 0 40 HJAB Cc1ccc(N2C(=O)N=C(O)[C@]3(Cc4c(ccc5ccccc45)N(C)C3)C2=O)c(C)c1 8974385 JQFYPQGQFAACIX-RUZDIDTESA-N 413.477 4.559 0 40 HJAB CCc1nc(SCC(=O)Nc2cc(OC)ccc2OC)c2oc3ccccc3c2n1 9479956 SRRQJYIONIKZEP-UHFFFAOYSA-N 423.494 4.686 0 40 HJAB COc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(Cl)c1Cl 10544153 ZHPLJLDICLQZGQ-GFCCVEGCSA-N 416.326 4.583 0 40 HJAB C[C@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)N1CCCc2ccccc21 10775550 GIIAWQRBOLFGCU-INIZCTEOSA-N 424.595 4.653 0 40 HJAB Cc1ccc(-c2ccccc2CC2(C(=O)NC[C@H]3CCCOC3)CCOCC2)c(C)c1 12231646 STLHWGPQFTUIJT-JOCHJYFZSA-N 421.581 4.853 0 40 HJAB Cc1ccc(CN(C)Cn2nc(-c3cccnc3)n(-c3ccccc3)c2=S)cc1 12552296 NZEGZWCHBGNBQA-UHFFFAOYSA-N 401.539 4.863 0 40 HJAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)c1 12790710 PMCWISUOSURKDR-UHFFFAOYSA-N 407.401 4.607 0 40 HJAB CC(C)c1ccc(CN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C2CC2)cc1 12975477 JVCIQQUVQNWYHW-UHFFFAOYSA-N 407.482 4.611 0 40 HJAB CCCOc1ccc(-c2csc(NC(=O)c3ccc4c(c3)nnn4CC)n2)cc1 12991772 LIPHMGCUJWFZBS-UHFFFAOYSA-N 407.499 4.616 0 40 HJAB COc1ccc(F)cc1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 13114754 HVDWXEFLDFHZKU-UHFFFAOYSA-N 422.485 4.884 0 40 HJAB O=c1cc(C(F)(F)F)nc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)[nH]1 13519486 CSHIUWOXRWAGSY-UHFFFAOYSA-N 417.778 4.796 0 40 HJAB O=C(Nc1cc(Cl)ccc1Cl)c1nn(-c2ccccc2)c(=O)c2ccccc12 14427167 LCYNKGZLALVWHB-UHFFFAOYSA-N 410.260 4.945 0 40 HJAB COc1ccc(-c2cc3c(SCC(=O)Nc4ccc(Cl)cc4)nccn3n2)cc1 16954694 ZPVYSRDKFMOPJQ-UHFFFAOYSA-N 424.913 4.789 0 40 HJAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1O 17092602 KPRDFOJMOOIOIJ-UHFFFAOYSA-N 421.305 4.988 0 40 HJAB OC1(c2ccc(F)cc2)CCN(Cc2c(-c3ccc(F)cc3)[nH]c3ncccc23)CC1 19345203 YJETXIUVCOTMJY-UHFFFAOYSA-N 419.475 4.992 0 40 HJAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(C(=O)CC3CCCCC3)C2)c1 19694754 PVLZMGWHMUAQTF-HXUWFJFHSA-N 422.573 4.505 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 20151589 MKQIMKHUUSXFRG-UHFFFAOYSA-N 400.887 4.528 0 40 HJAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 20152844 HTQXHXZDLRGFLV-UHFFFAOYSA-N 424.522 4.663 0 40 HJAB CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4)cc3n2)cc1 20610208 ASVLCZCWALLBLF-UHFFFAOYSA-N 406.873 4.654 0 40 HJAB COc1ccc([C@H](C)NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1OC 22246137 OBYQMLNEEGITIW-LBPRGKRZSA-N 415.490 4.842 0 40 HJAB COc1ccc(Cl)cc1C(=O)N(C[C@H]1CCCO1)c1nc2c(F)cccc2s1 23108292 VXQBHSXUYPMWQI-CYBMUJFWSA-N 420.893 4.923 0 40 HJAB CCOC(=O)[C@H]1CCCN(Cn2c(=S)n(-c3ccc(C)cc3)c3ccccc32)C1 25460183 OTXPMFYYIRSBBR-SFHVURJKSA-N 409.555 4.703 0 40 HJAB CC(=O)c1cccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c1 32578737 XQCDKZKUDIVBCX-UHFFFAOYSA-N 413.433 4.771 0 40 HJAB COc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)cc1 32593328 XQSRCKNLRHRISN-UHFFFAOYSA-N 410.857 4.618 0 40 HJAB Cc1ccc(C)c(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)c1 33089189 WZCODEDAECDRNJ-ZDUSSCGKSA-N 411.299 4.750 0 40 HJAB Cn1c(C(F)(F)F)nc2cc(NC(=O)c3noc4c3C[C@H](C(C)(C)C)CC4)ccc21 35316582 XFEBYBLEWUBPFI-LLVKDONJSA-N 420.435 4.983 0 40 HJAB CC1(C)C[C@@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCCCC3)c2ccccc2O1 35316984 AHKFVPYZPUCBPW-MRXNPFEDSA-N 421.463 4.589 0 40 HJAB COc1ccc2cc([C@@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2c1 39969224 ZBTXKEWHUFXBGJ-LJQANCHMSA-N 402.538 4.733 0 40 HJAB Cc1oc(-c2cccs2)nc1C(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 40131943 UTLVCTXCWBMANV-UHFFFAOYSA-N 421.478 4.586 0 40 HJAB Cc1ccc2nc(NC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)sc2c1 40140236 FIPWIRGYAFPSHF-UHFFFAOYSA-N 422.531 4.831 0 40 HJAB O=C(/C=C/c1ccccc1OC(F)F)Nc1ccc(C(=O)NC2CCCC2)cc1 40150956 CAYVYWDWFNJKHI-SDNWHVSQSA-N 400.425 4.612 0 40 HJAB COc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2-c2ccccc2)cc1 44086008 RCGSEHNBQVRUFW-UHFFFAOYSA-N 407.539 4.653 0 40 HJAB Cc1ccc(NC(=O)CSc2ccc(-c3nc(C4CC4)no3)cn2)cc1Cl 49405583 SGWXZJQYBQUESN-UHFFFAOYSA-N 400.891 4.702 0 40 HJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccc(F)c(Cl)c3)n2)cc1 57486894 UBZRXBWWIFGCQA-UHFFFAOYSA-N 424.863 4.622 0 40 HJAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CC(=O)Nc2ccccc2Cl)cc1 58162361 HZFKLECNTVWLOL-QHCPKHFHSA-N 421.928 4.899 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)[C@H](NC(=O)c3ccncc3)C(C)C)ccc21 58166030 QHYRCYCBXPXKPC-HSZRJFAPSA-N 414.509 4.603 0 40 HJAB CC(C)(C)c1cc2nc([C@@H]3CCCN(C(=O)c4ccco4)C3)cc(C(F)(F)F)n2n1 72341103 IKMYDXPTGXIPBA-CYBMUJFWSA-N 420.435 4.658 0 40 HJAB O=C(Cc1ccncc1)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349454 ORDUOAMFCVANQW-HXUWFJFHSA-N 405.929 4.670 0 40 HJAB Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)n1 72375010 WHOBCLKMHDAZDB-FQEVSTJZSA-N 422.573 4.628 0 40 HJAB C[C@H](CN1CCC([C@@H](NC(=O)c2ccccn2)c2nccs2)CC1)c1ccccc1 72394619 OXFCDXHDZFOXJJ-XMSQKQJNSA-N 420.582 4.525 0 40 HJAB Clc1ccc2[nH]c([C@@H]3CCCN3c3nc(-c4ccncc4)nc4c3CCC4)nc2c1 79061761 HDYRJUVNFVRXED-FQEVSTJZSA-N 416.916 4.899 0 40 HJAB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Br)o3)S2)cc1 110704446 HJMLKLUTWLNZBU-PTNGSMBKSA-N 420.332 4.780 0 40 HJAB Cc1ccc(CN(c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1 164895990 MSPLPWVZQUGRBZ-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB CC1(C)Cc2cccc(OCC(=O)N3CCS[C@H](c4ccccc4F)CC3)c2O1 219073693 DUTNIJSHUAVBQF-FQEVSTJZSA-N 415.530 4.625 0 40 HJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)O)cc3)o2)S1 222630989 MJPHRICYADKSML-CWVNLOTRSA-N 405.479 4.629 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 223055611 HKFUHYIKZMLXRM-XMMPIXPASA-N 402.538 4.634 0 40 HJAB CCCSc1nnc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)s1 223251297 PEIQYYNXLXWIOZ-CQSZACIVSA-N 410.996 4.544 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 223256171 MBFAUOJRESIJLX-HSZRJFAPSA-N 408.586 4.876 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 223719062 FUFSOVYMKXFONA-SFHVURJKSA-N 414.977 4.949 0 40 HJAB COc1ccc(OCc2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2OC)cc1 224272983 HXJCXPDWTISRNT-INIZCTEOSA-N 409.457 4.913 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 224617937 DCVZSNFCRLOEPR-XMMPIXPASA-N 424.585 4.570 0 40 HJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccccc1C 224918752 ARPAHSHXGNTGGX-NRPPHEFGSA-N 402.494 4.935 0 40 HJAB COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225023767 MOZMWMLAILAFKD-XZOQPEGZSA-N 418.566 4.796 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 225476822 RSDVZDJZCZDPLF-DYESRHJHSA-N 400.950 4.605 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)CC(C)(C)O2 225814038 MSQUCYQJUKQJIH-KRWDZBQOSA-N 409.404 4.511 0 40 HJAB COc1cccc2c1O[C@@H](c1ccc3c(c1)OCO3)N1N=C(c3cccs3)C[C@@H]21 227487090 YTNPAFNRCZQCGT-AOMKIAJQSA-N 406.463 4.728 0 40 HJAB CC1=C(C)C[C@@H](C(=O)N2CCC(c3cncc(Nc4cccc(C)n4)n3)CC2)CC1 257296301 RCDOBOWGYLBWDW-FQEVSTJZSA-N 405.546 4.766 0 40 HJAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCc1ccc(Cl)cc1Cl 409183443 SBJKBXUKGOTXAG-UHFFFAOYSA-N 402.661 4.971 0 40 HJAB Cc1ccc(-c2csc(NC(=O)COC(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1 409198677 CWGWEYJPJAEIJM-UHFFFAOYSA-N 410.539 4.817 0 40 HJAB CCCCNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccc(C)c(C)c1 409212490 QMWSDUCPSOFSIZ-UHFFFAOYSA-N 422.598 4.678 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(OC)cc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409341146 CZPGZAIVUHTCOX-KKVAFCGZSA-N 412.452 4.610 0 40 HJAB CCN(c1ccccc1)c1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1 1505840619 ZGIOONKCTYUAIH-UHFFFAOYSA-N 418.522 4.897 0 40 HJAB CC(C)=CC(=O)OC[C@]1(O)C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CCCC(C)(C)[C@H]1C[C@@H]3O 1615811901 HGXSLFHBGBEREA-XWSBJIKESA-N 404.591 4.631 0 40 HJAB biogenic O=C(Nc1nnc(CSCc2ccccc2)s1)c1ccccc1Br 715048 DOBITSSVICXGMH-UHFFFAOYSA-N 420.357 4.986 0 40 HJAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1 783836 HMVBOETVWBRQAV-DEOSSOPVSA-N 405.881 4.656 0 40 HJAB CN(C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1ccccc1 901512 SIOKGAMKGDVONJ-UHFFFAOYSA-N 409.458 4.979 0 40 HJAB COc1ccccc1[C@H](CCN(Cc1ccccc1)C(C)=O)c1ccc2c(c1)OCO2 915656 WVYDHECISOYMRV-JOCHJYFZSA-N 417.505 4.995 0 40 HJAB biogenic COc1cc(/C=C2\N=C(c3ccco3)OC2=O)cc(Cl)c1OC(=O)c1ccccc1 1067507 JBBDOMVCAXSESN-WJDWOHSUSA-N 423.808 4.505 0 40 HJAB O=C(CSc1nnc(-c2ccccc2O)n1CCc1ccccc1)c1ccccc1 1223705 HJZBCFIBFSSEPQ-UHFFFAOYSA-N 415.518 4.868 0 40 HJAB CCN(CC)CCNc1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn12 1341379 PYGGADWIIPTAIC-UHFFFAOYSA-N 403.505 4.956 0 40 HJAB Cc1ccc(CN(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1 1365278 YUHNFBGZXKRVKA-IBGZPJMESA-N 422.447 4.669 0 40 HJAB COc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccco1 1411734 WEASHEZPKAVMBC-UHFFFAOYSA-N 422.481 4.856 0 40 HJAB CCOc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2cccc(F)c2)S3)cc1OCC 1473129 APMZSQUCPGSALH-GOSISDBHSA-N 413.474 4.759 0 40 HJAB C[C@@H](CNC(=O)c1ccc(Cl)cc1Cl)NC(=O)c1ccc(Cl)cc1Cl 1995046 YEKXXOQQQFFNDR-VIFPVBQESA-N 420.123 4.849 0 40 HJAB CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Br)cc2)CC1 4700194 MNPADLDUQVHZPR-UHFFFAOYSA-N 415.375 4.710 0 40 HJAB Cc1ccc(OCc2nnc(NC(=O)c3ncoc3-c3ccccc3C)s2)cc1 5001973 PRCCKWNBEJKHEF-UHFFFAOYSA-N 406.467 4.641 0 40 HJAB Cc1ccc(OCc2nnc(NC(=O)c3ncoc3-c3cccc(C)c3)s2)cc1 5001989 SMUKUVNWZBVTEW-UHFFFAOYSA-N 406.467 4.641 0 40 HJAB Cc1ccc(S(=O)(=O)N2CN(C3CCCCC3)c3nc4ccccc4nc32)cc1C 5030215 VFWCJZFRVWAYJG-UHFFFAOYSA-N 422.554 4.552 0 40 HJAB O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2ccccc2F)o1 5033268 BFDGKCYXOHGOAT-UHFFFAOYSA-N 409.486 4.813 0 40 HJAB O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cc2ccccc2oc1=O 5197817 BUYPALLPVFYSSA-UHFFFAOYSA-N 400.365 4.993 0 40 HJAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)Cc2ccc(Cl)cc2)cc1 6630443 GBGOWLPXTHBEIY-UHFFFAOYSA-N 408.885 4.688 0 40 HJAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 6709364 AGVXQNYZZJTICP-UHFFFAOYSA-N 403.507 4.829 0 40 HJAB COc1ccc2c(C)c(CC(=O)Nc3ccc(N4CCC(C)CC4)cc3)c(=O)oc2c1 6719285 HJUXGUJUHAJGSE-UHFFFAOYSA-N 420.509 4.528 0 40 HJAB CCN1C(=O)S[C@@H](Cc2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 6952419 VNJSFKJEALCCQH-SFHVURJKSA-N 405.903 4.554 0 40 HJAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(F)cc1 8090336 MQMMHLKWVXYMOA-UHFFFAOYSA-N 420.513 4.912 0 40 HJAB COc1ccc2nc(SCC(=O)Nc3ccc(N4CCCCCC4)cc3)[nH]c2c1 8135069 KQEOTVMHPWLZHX-UHFFFAOYSA-N 410.543 4.683 0 40 HJAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N1c2ccccc2C[C@H]1C 8187496 PUQTUAQMKSATCW-ZIAGYGMSSA-N 404.495 4.676 0 40 HJAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc2cc(Cl)ccc2o1 8724138 NACOYQPLFZEICP-UHFFFAOYSA-N 421.678 4.526 0 40 HJAB CCn1c(S[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1C1CC1 9593616 ITKPQJOGKKSCFN-IBGZPJMESA-N 408.527 4.656 0 40 HJAB COc1ccc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@H]2c2ccc(C)cc2)cc1 10059785 YVWBZGLDWIYNMC-ZEQRLZLVSA-N 424.504 4.976 0 40 HJAB COc1cc(-c2nc3cc(NC(=O)c4ccccc4F)ccc3o2)cc(OC)c1OC 10120159 SPMVWOCZKKYUBZ-UHFFFAOYSA-N 422.412 4.912 0 40 HJAB Cc1cc(C)cc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c1 12226571 IIVVPDYOXRIKDK-UHFFFAOYSA-N 406.404 4.688 0 40 HJAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)c(=O)c12 12765263 WSWIZUZXSPDHLN-PKOBYXMFSA-N 421.566 4.615 0 40 HJAB O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccccc1Br 13003646 UFOSCSYCMFCPKW-UHFFFAOYSA-N 414.328 4.721 0 40 HJAB Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4ccc(C)c(C)c4)cc3)nn2)n1 13009812 NTGZXHLQZOEYCD-UHFFFAOYSA-N 412.497 4.892 0 40 HJAB C[C@H](Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1)c1cccs1 13095396 GBWHEKCUBAJTAM-AWEZNQCLSA-N 410.524 4.665 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCc1nn2c(-c3ccccc3F)nnc2s1 13691866 GRYINMQHUKLPOZ-UHFFFAOYSA-N 418.501 4.580 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1Br 14831678 PIJIZLAVSAISNI-UHFFFAOYSA-N 405.292 4.695 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 16022739 BNPTUKMDXYZAAZ-ZDUSSCGKSA-N 423.866 4.948 0 40 HJAB Nc1nc(=O)n(CCCOc2cccc(Cl)c2)cc1-c1ccc(Cl)c(Cl)c1 17039835 UMEREQJWJKVKNZ-UHFFFAOYSA-N 424.715 4.922 0 40 HJAB COc1cc(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc(OC)c1OC 18893588 ZPIIDLYXKRUQQS-UHFFFAOYSA-N 415.505 4.756 0 40 HJAB COc1cccc([C@H]2CN(C(=O)C(C)(C)C)[C@@H]3CCN(Cc4ccccc4)C[C@H]23)c1 19081643 DQQIRYCLPHTYQG-WXFUMESZSA-N 406.570 4.558 0 40 HJAB CCOC(=O)C1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccsc2)CC1 19530211 NMZAJKIYOHZENZ-UHFFFAOYSA-N 410.539 4.791 0 40 HJAB COc1cc(C)ccc1CN1CCC[C@@H]1c1ccc2c(C)nn(-c3ccccn3)c2n1 19742432 IATGRNUNWXIHRF-JOCHJYFZSA-N 413.525 4.778 0 40 HJAB Cc1cc(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)cnn3c2C)ccc1Cl 19817098 HXCDQHWSRMCSPB-UHFFFAOYSA-N 412.280 4.967 0 40 HJAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccc(F)c2)N2CCOCC2)c1C 20192452 XNHPXWYVIRDPEF-HXUWFJFHSA-N 414.502 4.771 0 40 HJAB Cc1nn(-c2ncccn2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)CC(O)=N2 20739306 HBSZBDGDBJSRJF-FQEVSTJZSA-N 411.465 4.673 0 40 HJAB Clc1ccc([C@H](CNc2nn3cnnc3c3ccccc23)N2CCCCC2)cc1 21798682 LMKWIJDVLOWWRL-FQEVSTJZSA-N 406.921 4.570 0 40 HJAB CCOc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(c4ncccn4)C3)cc2)cc1 24842662 DLQFGKYQPFZWSJ-SFHVURJKSA-N 418.497 4.523 0 40 HJAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 28871613 YFILWFWZZFVHDL-JTQLQIEISA-N 400.784 4.569 0 40 HJAB COc1ccc(-c2nc(CSc3nnc(COc4cc(C)ccc4C)o3)no2)cc1 32754533 BQUGGAIMWZENSB-UHFFFAOYSA-N 424.482 4.616 0 40 HJAB O=c1/c(=C/c2cccc(OCc3ccccc3Cl)c2)sc2nc3ccccc3n12 33789877 QWEQILBCNWOMFO-BKUYFWCQSA-N 418.905 4.689 0 40 HJAB C[C@@]1(C(=O)Nc2nnc(C3CCCCC3)s2)CC(c2ccccc2Cl)=NO1 35316821 XLPPVSWHDMHIPM-IBGZPJMESA-N 404.923 4.761 0 40 HJAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 40132494 SSZAQXRXQLRWSX-AWEZNQCLSA-N 401.432 4.669 0 40 HJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1Cl 44884554 AFMPZKDYRWLUBZ-LBPRGKRZSA-N 423.918 4.653 0 40 HJAB Cc1ccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c(Cl)c1 51317167 YIZPVBWMWBUTMB-UHFFFAOYSA-N 410.905 4.549 0 40 HJAB O=C(CN1CCN(c2ccccc2)CC1)Nc1ccccc1Sc1ccccc1 53224399 LWLWWFQDABJJFE-UHFFFAOYSA-N 403.551 4.599 0 40 HJAB O=C(NCCc1ccccc1F)c1oc2ccccc2c1CSc1ncccn1 57996721 XEUJMOZFBLIKNG-UHFFFAOYSA-N 407.470 4.627 0 40 HJAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 58210944 QMYITFMCVYMWFR-NSHDSACASA-N 407.417 4.903 0 40 HJAB Cc1cc(C)n(-c2ccc(Cl)c(-c3nn4c(C(F)(F)Cl)nnc4s3)c2)n1 61718884 RDPBNMOFROZNPY-UHFFFAOYSA-N 415.256 4.597 0 40 HJAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)[C@@H]1CCCN(C(=O)C2CC2)C1 72059284 DXXZNXXWONPFAW-GFCCVEGCSA-N 424.353 4.704 0 40 HJAB CCCc1ccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)s1 72341494 BTIMKPHFSPBQMM-LJQANCHMSA-N 411.575 4.857 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359637 ILTMZBLKLGEAEX-UHFFFAOYSA-N 409.892 4.885 0 40 HJAB COc1cc(CN(Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc(OC)c1 72395089 RBHFWPLMTFXLNN-SQJMNOBHSA-N 421.541 4.809 0 40 HJAB O=C(OCc1cncc(Br)c1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 95350044 WFCLTFQLIGDJDS-KGLIPLIRSA-N 400.194 4.710 0 40 HJAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3[C@@H]2CCOC(C)(C)C2)cc1OC 95474588 LHBKRXUQNARFBE-KDOFPFPSSA-N 417.531 4.622 0 40 HJAB COc1cc([C@H]2SCC(O)=Nc3ncn(-c4ccc(Cl)cc4)c32)ccc1O 95479197 NNDXZJVXOALFCT-GOSISDBHSA-N 401.875 4.664 0 40 HJAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccc(Br)s3)nnc12 100477103 ILUXCZMFMKHYEC-XYZCENFISA-N 424.389 4.846 0 40 HJAB CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@H](c2ccccc2OCc2ccccc2)NC(=O)N1 101113021 FAWXECJFJVYKRS-YBVWCTEOSA-N 420.509 4.625 0 40 HJAB COc1ccc(-c2nnc(NC(=O)COc3ccc(Cl)cc3Cl)s2)cc1 105656149 ZSJUAYDEKJSYPO-UHFFFAOYSA-N 410.282 4.538 0 40 HJAB COc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCC(C)CC4)cc3)s2)cc1 223149552 JMXVFLRYMHZXJO-UHFFFAOYSA-N 422.554 4.698 0 40 HJAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)cc1C 224151757 QVWRAQBGTZLINM-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C)cc1 225156677 LIVKTORCESNYGM-IBGZPJMESA-N 414.977 4.915 0 40 HJAB S=C(NCc1nc(-c2cccc(Br)c2)no1)Nc1ccc(Cl)cc1 225825105 ZRHXXXBSRKSYJC-UHFFFAOYSA-N 423.723 4.639 0 40 HJAB CCOCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C 225863057 WDTOCEYJWVCRKG-UHFFFAOYSA-N 402.922 4.909 0 40 HJAB COc1cc(/C=C/c2nnc(N)o2)cc(Cl)c1OCc1ccc(F)cc1Cl 226338675 YXYXOWLLKBQWDO-GORDUTHDSA-N 410.232 4.856 0 40 HJAB Cc1noc(=O)c(C)c1-c1ccc(Cl)c(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 245227691 TXBSBCNPDJIUMG-NZUILWFCSA-N 400.906 4.527 0 40 HJAB CO[C@@H](CC(=O)Oc1cc(Cl)ccc1Cc1ccc(Cl)cc1Cl)C(=O)O 247828278 GMPADTRVEDDXQU-INIZCTEOSA-N 417.672 4.633 0 40 HJAB COC(=O)[C@@H](CCSC)NC(c1ccccc1)(c1ccccc1)c1ccccc1 299803590 CGNFXTRCKHRBKQ-HSZRJFAPSA-N 405.563 4.863 0 40 HJAB O=C(C(=O)N1CCCC1)c1cn(CCOc2cccc3ccccc23)c2ccccc12 408570996 MRGHBEVLNIXXSW-UHFFFAOYSA-N 412.489 4.679 0 40 HJAB COc1ccccc1N(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 408627658 OIFPZPPSAAFAEW-UHFFFAOYSA-N 405.878 4.883 0 40 HJAB O=C1N/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccccc1F 409104295 HIICRQXWZKIUCL-LPYMAVHISA-N 420.415 4.637 0 40 HJAB Cc1cc(C)c(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)c1 409239026 YSDWJZWHWCEPLV-VCHYOVAHSA-N 414.914 4.940 0 40 HJAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c1 409329614 GHVSRXJCTDHHBO-MOSHPQCFSA-N 424.522 4.884 0 40 HJAB CC1=NN(C(=O)COc2cc(C)ccc2C(C)C)[C@@](O)(c2ccc(Cl)cc2)C1 409344072 GNLRNMFTZCFFNI-QFIPXVFZSA-N 400.906 4.604 0 40 HJAB CO[C@H]1CCC[C@H](C(=O)N2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)C1 585262658 PMUUMWVGFWZTPR-ROUUACIJSA-N 414.575 4.501 0 40 HJAB CCOc1ccc([C@@H]2Oc3ccc(Br)cc3C=C2[N+](=O)[O-])cc1OC 718202 BTRSBKSFEIYBQY-SFHVURJKSA-N 406.232 4.608 0 40 HJAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1CC 892277 HVOHAIFMPNLPML-UHFFFAOYSA-N 410.543 4.526 0 40 HJAB CC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)cc1 1320572 NXYBXJPVTUKPIP-SANMLTNESA-N 417.480 4.957 0 40 HJAB Cc1nc(SCC(=O)N2CCc3ccccc32)c2c3c(sc2n1)C[C@@H](C)CC3 1326231 ZZSLJGZWBCTIIY-ZDUSSCGKSA-N 409.580 4.806 0 40 HJAB CC(C)CCSc1nnc2n(C)c(=O)c3c4c(sc3n12)C[C@@H](C(C)(C)C)CC4 1837628 UHLUGDTXKZWCAC-ZDUSSCGKSA-N 418.632 4.932 0 40 HJAB CC(C)OCCCNc1ncnc2c1oc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 2210276 JTPSFVRSDUJDOS-UHFFFAOYSA-N 412.534 4.973 0 40 HJAB Cc1ccc(-n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)cc1Cl 2253989 LOBRWCPIFIVYNF-UHFFFAOYSA-N 419.916 4.790 0 40 HJAB CCOc1ccc([C@H](NC(=O)/C=C/c2ccco2)c2ccc(OC)c(OC)c2)cc1 2291271 QEHUSASEHIDEIZ-ZOBSEURRSA-N 407.466 4.615 0 40 HJAB O=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)Nc1cc(F)ccc1F 3264479 WFXYCLVYPHQQCR-NRFANRHFSA-N 413.445 4.980 0 40 HJAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnnn1-c1ccccc1)c1ccccc1 3320919 AFSPJGKFYCZBKT-QFIPXVFZSA-N 411.490 4.860 0 40 HJAB COc1cc(/C=C2/N=C(c3ccc(Cl)c(Cl)c3)OC2=O)ccc1OC(F)F 3373253 ZDQNQBIURUZFKW-AWNIVKPZSA-N 414.191 4.948 0 40 HJAB C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N[C@@H]1CCCc2ccccc21 3457690 PJRIJCMZGCGMOG-RDTXWAMCSA-N 410.568 4.956 0 40 HJAB COc1ccc(OCCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 3665990 BIOFRUYSFVQSMY-UHFFFAOYSA-N 407.310 4.542 0 40 HJAB biogenic CC[C@H](C)NC(=O)c1c(C)nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc12 4181692 JQTIGWBLFAKSGZ-JTQLQIEISA-N 410.827 4.905 0 40 HJAB Cc1cccc2sc(N(CCN(C)C)C(=O)CCSc3ccc(F)cc3)nc12 4585257 SGYZRJWSARQKTI-UHFFFAOYSA-N 417.575 4.821 0 40 HJAB Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3ncccn23)cc1Cl 4734044 QCWAGGVOJCKNNV-UHFFFAOYSA-N 419.916 4.938 0 40 HJAB COC(=O)c1c(C(C)(C)C)oc2cc(C)c(NS(=O)(=O)c3cccs3)cc12 4735759 PYYWHGGWAFIDKI-UHFFFAOYSA-N 407.513 4.688 0 40 HJAB Cc1nc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1Br 4746996 ZTDQYNHLGZODDD-UHFFFAOYSA-N 422.392 4.572 0 40 HJAB CCN(CC)CCN(C(=O)c1ccco1)c1nc2c(OC)ccc(Cl)c2s1 5256921 NHDJFEIRVHIZTO-UHFFFAOYSA-N 407.923 4.540 0 40 HJAB Cc1cccc2sc(NC(=O)c3cccn(Cc4ccccc4Cl)c3=O)nc12 5269946 WYEPUKDMQRSBIT-UHFFFAOYSA-N 409.898 4.720 0 40 HJAB COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)ccc1O 5342310 YQITXDDUZAGSSZ-TZYHBYERSA-N 401.934 4.923 0 40 HJAB biogenic,in-vitro O=C(OCCOc1ccccc1F)c1cc(-c2ccccc2)nn1-c1ccccc1 5936055 VBHPCLMYXMDATJ-UHFFFAOYSA-N 402.425 4.914 0 40 HJAB CC(C)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 6050048 BSWDFKDJGTUDPG-UHFFFAOYSA-N 406.935 4.500 0 40 HJAB COc1c([C@H](CC(C)C)OC(C)=O)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 6070257 NUYFKDBCHFKOBT-IBGZPJMESA-N 414.454 4.822 0 40 HJAB biogenic,in-vitro Cc1ccc(NC(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1 6147495 ZSHYRHXWDKXSML-UHFFFAOYSA-N 407.520 4.691 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12 6647901 KVULNZWOHXBYAJ-UHFFFAOYSA-N 401.706 4.729 0 40 HJAB CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N2CCCCCCC2)c1 7406958 AGIGASLDGBOLNF-UHFFFAOYSA-N 420.962 4.571 0 40 HJAB COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccccc3)n2)cc1 7896194 DWKJHLCUKFLYEH-UHFFFAOYSA-N 401.422 4.577 0 40 HJAB C[C@@H](NC(=O)CSc1nncn1-c1ccccc1)c1ccc(-c2ccccc2)cc1 8133998 AJLQMFIVCWICDM-GOSISDBHSA-N 414.534 4.904 0 40 HJAB CCC(=O)c1cc(Br)ccc1OCC(=O)N[C@H]1CCCc2ccccc21 8429793 SKMSPBWKWMXMFP-SFHVURJKSA-N 416.315 4.614 0 40 HJAB CC(C)Cn1c(SCC(=O)N(C)Cc2cccs2)nnc1-c1ccccc1F 8735763 FHIUDXKPEIOYLU-UHFFFAOYSA-N 418.563 4.552 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)/C(=C\c1cccnc1)NC(=O)c1cccs1 9090222 OMEOJOBIFZVGMR-MHWRWJLKSA-N 417.412 4.572 0 40 HJAB Cc1ccn2cc(-c3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3)nc2n1 9572162 XMJVIDYCMSSYRB-UHFFFAOYSA-N 414.490 4.659 0 40 HJAB CCc1nnc(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)s1 9578711 ZMLMLMSCZZRJOJ-UHFFFAOYSA-N 417.947 4.774 0 40 HJAB Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(COCC(F)(F)F)cc1 11254990 DPVBHMRCVQGDMD-UHFFFAOYSA-N 406.379 4.691 0 40 HJAB Cc1ccccc1N1O[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]1c1cccs1 12017545 VXIZPLTWUXWILF-HSALFYBXSA-N 424.909 4.761 0 40 HJAB CN(C)CCCN(C(=O)c1ccc(Br)s1)c1nc2ccccc2s1 12342210 PMXLVPHDVKWJBM-UHFFFAOYSA-N 424.389 4.719 0 40 HJAB Cc1ccc(C)c(-n2cnnc2SCc2cc3c(cc2Br)OCO3)c1 12516930 NAPIEJUPZRYFCI-UHFFFAOYSA-N 418.316 4.668 0 40 HJAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)/C=C/c1cccc(C(F)(F)F)c1 12569808 RQUBVXHAKAIPFW-LACOWATDSA-N 400.444 4.862 0 40 HJAB O=C(/C=C/c1cc(Br)ccc1F)N1CCC[C@H]1c1nc2ccccc2[nH]1 12577650 XRHYYJGNMTUFMB-HKMNZKMDSA-N 414.278 4.841 0 40 HJAB Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2cccc(C(=O)N(C)C)c2)c1 12926476 SQWBBMVBBYSMNI-UHFFFAOYSA-N 405.523 4.804 0 40 HJAB COc1cc2nc(NC(=O)c3nc(-c4ccco4)sc3C)sc2cc1OC 12951747 JJQBXEGKHHIEIU-UHFFFAOYSA-N 401.469 4.591 0 40 HJAB COc1ccc(-c2noc(COc3ccc4c(C(C)C)cc(=O)oc4c3)n2)c(OC)c1 12985850 YXABNURKHXJKQN-UHFFFAOYSA-N 422.437 4.563 0 40 HJAB COc1ccc(-c2nc(CC(=O)N(C)Cc3ccccc3Cl)cs2)cc1OC 12986635 JJVFGDRBFVJOKZ-UHFFFAOYSA-N 416.930 4.682 0 40 HJAB CC(C)[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 13016191 PMHRWGBDTTTZMZ-OAQYLSRUSA-N 401.572 4.656 0 40 HJAB COc1cc(CN(Cc2ccc(C)o2)C2CC(C)(C)NC(C)(C)C2)cc(OC)c1O 13992744 PEEXMIWUNFXIGA-UHFFFAOYSA-N 416.562 4.622 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1 14196491 FFYZZIXFCQZXTO-HNNXBMFYSA-N 415.518 4.515 0 40 HJAB Cc1cc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc2n1 16268858 MAOABBQFKFDTPL-UHFFFAOYSA-N 400.309 4.812 0 40 HJAB CCn1cc(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)c(=O)c2cc(C)ccc21 22234803 CRFYCDVJFXUQFO-UHFFFAOYSA-N 420.490 4.583 0 40 HJAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccncc4)CC3)c3ccccc3n2)cc1 23800773 MAPXNHARUHJJLD-UHFFFAOYSA-N 422.532 4.563 0 40 HJAB CCCCCCn1c(SCc2noc(C(C)(C)C)n2)nc2ccccc2c1=O 24747695 YZPYTPRQSXOVKL-UHFFFAOYSA-N 400.548 4.950 0 40 HJAB COc1ccc(CN(C(=O)c2ccc(OCC(C)C)cc2)c2ccccn2)cc1OC 27581158 UGGSFAQFBANILZ-UHFFFAOYSA-N 420.509 4.981 0 40 HJAB CC(=O)[C@H](CN(C(C)C)C(C)C)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841670 OUEQETVIEFWKSK-GMAHTHKFSA-N 421.537 4.955 0 40 HJAB O=C1Cc2cc(C(=O)CSc3nnc(-c4ccccc4Cl)o3)c(Cl)cc2N1 32072944 ZBFDDPAMSZABCJ-UHFFFAOYSA-N 420.277 4.513 0 40 HJAB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2)N(CCc2ccccc2)C3=O)cc1 32593543 YGLWEKIZMHBKEZ-RUZDIDTESA-N 409.489 4.873 0 40 HJAB COc1ccc(CCC(=O)N2CCC(c3ccc(O)cc3)CC2)cc1Br 32786810 ZLHVWNQBFZWFGA-UHFFFAOYSA-N 418.331 4.502 0 40 HJAB COc1ccccc1NC1(c2nnnn2-c2cccc(C(F)(F)F)c2)CCCCC1 35622243 MXEVRPMFYWZLFU-UHFFFAOYSA-N 417.435 4.961 0 40 HJAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(Br)c1 38500951 CZZHGRPHNSNXFF-UHFFFAOYSA-N 418.266 4.815 0 40 HJAB CCc1nn2c(ncc3c(=O)n(CCc4ccccc4OC)ccc32)c1-c1ccccc1 40387849 XLWRNUCPGFFLAX-UHFFFAOYSA-N 424.504 4.525 0 40 HJAB Cc1ccc(CN(CCCn2ccnc2)Cc2c[nH]nc2-c2ccc(Cl)cc2)o1 43277772 VWNWJTJYYLRLPP-UHFFFAOYSA-N 409.921 4.921 0 40 HJAB CCOc1ccc(N2C(=O)/C(=C/c3c[nH]c4c(CC)cccc34)N(C)C2=S)cc1 44599084 IGRUEGBJPCQLBD-MOSHPQCFSA-N 405.523 4.733 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCCCC2)cc1 44855703 HJCPXZIHEVEYFU-QFIPXVFZSA-N 408.542 4.713 0 40 HJAB Cc1ccc(C)c(NC(=O)N2CCc3c(c(=O)c4ccc(Cl)c(F)c4n3C)C2)c1 49008141 SMPRKOUPCNJKCM-UHFFFAOYSA-N 413.880 4.538 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@@H]1Cc3ccccc31)CC2 72296558 ZJKYVDDBQCZGTP-XXBNENTESA-N 405.519 4.579 0 40 HJAB C[C@@H]1CN(Cc2nc(-c3ccco3)no2)c2ccccc2N(Cc2ccccc2)C1=O 79024513 IZKKMDWFEITRAE-QGZVFWFLSA-N 414.465 4.519 0 40 HJAB CCCCc1ncc(/C=C(/Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1 95060657 OROAFUQRIXKEMV-PDGQHHTCSA-N 424.522 4.744 0 40 HJAB in-vitro CC1CCN(CCc2cccc(NC(=O)c3ccccc3-c3cncnc3)c2)CC1 95455902 RPDGYXDLAAVRPS-UHFFFAOYSA-N 400.526 4.670 0 40 HJAB CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21 96053066 MWNSUTZWAGHYMG-SFHVURJKSA-N 410.583 4.668 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O)Nc1ccccc1 214670038 UQZGIJZOKFKDIR-OQLLNIDSSA-N 407.278 4.668 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl 223132472 MCTOQXBJFMXKES-DLBZAZTESA-N 418.940 4.744 0 40 HJAB CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 223359516 VVRAJZMJAFOGEQ-DEOSSOPVSA-N 420.940 4.789 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)cc1 223757765 VDRKSQVKAFIGED-HXUWFJFHSA-N 424.610 4.872 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1N(C)S(=O)(=O)c1ccccc1 224290072 TUEMBKVXDRWBOT-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccccc1C 225223985 UHYPRUFJNUPGCK-NRPPHEFGSA-N 402.494 4.935 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225267573 KTUJDEOOECBFCN-UHFFFAOYSA-N 405.841 4.922 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCCc1ccccc1 225281043 GPQITTQKXWZUDC-XLNRJJMWSA-N 404.535 4.576 0 40 HJAB C[C@H]1CCCN(CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)C1 225780098 RMDJRQMKYRIOFK-SFHVURJKSA-N 400.950 4.771 0 40 HJAB C[C@H]1CCCCN1c1cc(N2CCCC2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225957639 HBXQLELFTUUPKQ-ZWKOTPCHSA-N 424.618 4.503 0 40 HJAB Cc1cc(CN(C)C(=O)c2ccc3sc(Cl)nc3c2)c(C)n1C[C@H]1CCCO1 225985487 TYFPRIZELCHHPU-QGZVFWFLSA-N 417.962 4.819 0 40 HJAB CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(Cc4ccc(/C=C/C(=O)O)cc4)[C@@H]3C[C@@H]21 257235207 GWWVXEPFWFOJIH-LUOULBBBSA-N 419.521 4.676 0 40 HJAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257303981 SJOSUJITYZXBOQ-INIZCTEOSA-N 420.900 4.815 0 40 HJAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cc5ccccc5[nH]4)C3)o2)c1 257340003 ZECLRQMGKSROHU-LJQANCHMSA-N 415.493 4.775 0 40 HJAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 408560065 BRZGDFZDCDRARB-UHFFFAOYSA-N 416.330 4.668 0 40 HJAB CCCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408702563 BUROPECTWRJGBW-NRFANRHFSA-N 402.947 4.644 0 40 HJAB CC1(c2ccc(Cl)cc2)CCN(C(=O)C2CCC(OC[C@H]3CCCO3)CC2)CC1 509803059 HJYKENRWQOCLMQ-FQUBMZHMSA-N 419.993 4.975 0 40 HJAB O=C(c1cc(-c2cccc(Cl)c2)no1)N1CCC(Oc2cncc(Cl)c2)CC1 560651938 BSRVZFFTNNAOHD-UHFFFAOYSA-N 418.280 4.727 0 40 HJAB CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccc(-n4ccnc4)cc3)s2)cc1 642139782 NYVHYPVOXBWDBC-UHFFFAOYSA-N 404.495 4.955 0 40 HJAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(C(=O)NCC(C)C)ccc21 643575471 KLANZQGRLUFLEP-UHFFFAOYSA-N 415.622 4.847 0 40 HJAB CCN(CC)c1ccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c(=O)oc2c1 778547 IJBBSBJESZQDOO-UHFFFAOYSA-N 404.388 4.910 0 40 HJAB CC[C@@H](C)NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc2c1Cl 848610 IIYHDJYJKSWEKS-LLVKDONJSA-N 410.827 4.905 0 40 HJAB CCOc1cc(NC(=O)C2CCCCC2)c(OCC)cc1NC(=O)c1ccccn1 1341210 TVMQNWAZPYCERH-UHFFFAOYSA-N 411.502 4.650 0 40 HJAB COc1cccc2cc(C(=O)N(Cc3cccs3)Cc3cccs3)c(=O)oc12 1342130 OEGWMAJUWUJOFD-UHFFFAOYSA-N 411.504 4.767 0 40 HJAB Cc1[nH]n(-c2ccccc2)c(=O)c1SC(F)(F)[C@@](F)(Cl)OC(F)(F)F 1819657 WUNBXKBWLNWSOT-NSHDSACASA-N 406.735 4.557 0 40 HJAB CC1(C)Cc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3)c2CO1 2251825 KZUCVNVPGWLWRQ-UHFFFAOYSA-N 405.523 4.726 0 40 HJAB COc1cc(OC)cc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)c1 2253171 PBTDBEDKFIQSJP-UHFFFAOYSA-N 400.413 4.792 0 40 HJAB COc1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc(OC)c1OC 2653932 KWOFLOUPRCMVLP-UHFFFAOYSA-N 423.494 4.674 0 40 HJAB Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1Cc1ccccc1Cl 3348184 PUKSIPXBZUJUFF-UHFFFAOYSA-N 410.930 4.824 0 40 HJAB O=C(CSc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NC[C@H]1CCCO1 4060782 MCALVEIYFVINBC-GOSISDBHSA-N 414.958 4.730 0 40 HJAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccco4)C[C@H]4CCCO4)[C@H]3C=C12 4085627 YSZZLAPSDPZFFH-JWWWDENJSA-N 413.558 4.575 0 40 HJAB biogenic CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3C)cc2Cl)CC1 4123108 LGXNUWDSEOJYJO-UHFFFAOYSA-N 413.949 4.658 0 40 HJAB O=C(Nc1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccc(F)cc1 4132078 IQKSAZBZUSNTBR-UHFFFAOYSA-N 403.207 4.686 0 40 HJAB O=C(CSc1nc2ccccc2nc1-c1ccccc1)Nc1ccc2c(c1)OCO2 4275538 YPCKADMIDJEVRT-UHFFFAOYSA-N 415.474 4.756 0 40 HJAB COc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1cccs1)N1N=CNC1=N2 4291779 AZZQMNAVCYDKAF-FGZHOGPDSA-N 414.490 4.561 0 40 HJAB CCOc1ccc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)cc1OCC 4512721 LJHCUONSRAMNOL-UHFFFAOYSA-N 423.513 4.893 0 40 HJAB COc1ccc(CNCC[C@@]2(Cc3ccccc3)C[C@@H](C)N(C)C[C@H]2C)cc1OC 4751973 FYBSRGAMRKRJQM-YPCDYVTLSA-N 410.602 4.773 0 40 HJAB Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCCO3)c2c(C)c(C)sc2n1 4799196 YWMOMPDVOBCWEM-UHFFFAOYSA-N 415.540 4.509 0 40 HJAB CCOCCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccc(C)cc1 4861267 LCRNKXYUVLOWKN-UHFFFAOYSA-N 421.541 4.914 0 40 HJAB Cc1ccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NC[C@@H]3CCCO3)[nH]2)cc1 4927662 ARFHRYPEQJUOHS-FQEVSTJZSA-N 421.566 4.748 0 40 HJAB CSc1cccc(C(=O)N(CCCN(C)C)c2nc3c(F)cccc3s2)c1 5242667 BWUDTWMHJDWSGH-UHFFFAOYSA-N 403.548 4.756 0 40 HJAB O=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 5264950 FQPYTVPLNQWULZ-UHFFFAOYSA-N 407.470 4.833 0 40 HJAB Clc1ccccc1-c1nnc2n1N=C(c1ccccc1Br)CS2 5574472 GJPAAHQVXRGOSO-UHFFFAOYSA-N 405.708 4.719 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O 6307341 VDOYHUPIWLPQOZ-UHFFFAOYSA-N 422.525 4.887 0 40 HJAB c1cncc(-c2nnc(SCc3nc4ccccc4s3)n2Cc2ccco2)c1 6509445 DRLUVTICKPQPQR-UHFFFAOYSA-N 405.508 4.883 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 6604705 RYRRFSORMYHXBQ-UHFFFAOYSA-N 406.873 4.605 0 40 HJAB COc1ccc2cc(CN(C)C(=O)COc3ccccc3Br)ccc2c1 7399970 NDSXQVILUUNHIT-UHFFFAOYSA-N 414.299 4.648 0 40 HJAB Cc1ccc(-c2noc(CN(C(=O)COc3ccccc3)C3CCCCC3)n2)cc1 7720944 UTJXZWFKFNYHSH-UHFFFAOYSA-N 405.498 4.785 0 40 HJAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC(c2nc3ccccc3s2)CC1 8086432 GPLBEOXQUWOTOS-HXUWFJFHSA-N 422.550 4.874 0 40 HJAB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)c1 8166636 ORMRYRCUYZJYQV-MHWRWJLKSA-N 404.285 4.694 0 40 HJAB Clc1ccccc1OCc1nnc(SCc2ccc3c(c2)OCO3)n1C1CC1 8183632 OLWHGEHNZWNKQK-UHFFFAOYSA-N 415.902 4.866 0 40 HJAB CCOc1ccc(-c2nnc(SCc3cc(Cl)c4c(c3)OCCO4)o2)cc1 8192851 OPRNNBSWBZUGEG-UHFFFAOYSA-N 404.875 4.852 0 40 HJAB CCOc1ccc([C@H]2CCCN2C(=O)/C=C/c2cnn(Cc3ccccc3)c2)cc1 8271597 IQDKBSBNYHRTTI-USXRGHEGSA-N 401.510 4.707 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1csc(-c2ccsc2)n1 8901552 SAHOSFQGDKDZQO-UHFFFAOYSA-N 422.579 4.592 0 40 HJAB COc1ccc(-c2coc3cc(OCCN4CCC(C)CC4)ccc3c2=O)cc1OC 9184128 PWYYLHHZKWFBHI-UHFFFAOYSA-N 423.509 4.588 0 40 HJAB biogenic COc1ccc(N/C=C2/C(=O)N(c3cccc(C)n3)C(=O)c3ccccc32)cc1Cl 9293724 MUAGUZLEXDYEFK-QGOAFFKASA-N 419.868 4.692 0 40 HJAB Cc1c(C)n(-c2ccccc2Br)c2ncn3nc(-c4cccnc4)nc3c12 9420297 GIVZBAXQIMCTTF-UHFFFAOYSA-N 419.286 4.510 0 40 HJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1ncnc2sccc12 9578653 VTGSFRHIUVPVSI-NSHDSACASA-N 400.554 4.613 0 40 HJAB Cc1occc1-c1nnc(SCCCC(=O)c2ccc(Br)cc2)n1C 9671601 QYDMTJDZZXUEGC-UHFFFAOYSA-N 420.332 4.901 0 40 HJAB Cc1ccc2nc(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)cc(=O)n2c1 9883849 DBVHPYCSLYWJFB-GFCCVEGCSA-N 424.551 4.532 0 40 HJAB Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCc4[nH]c5ccccc5c4C3)c12 9956108 ISDPFSWOFLOWER-UHFFFAOYSA-N 414.490 4.940 0 40 HJAB CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccc(OC)cc3)C[C@H]21 10215637 NZULXNUKOTWIDD-ZJSXRUAMSA-N 401.466 4.731 0 40 HJAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1nc2ccccc2c(=O)[nH]1 11536124 NBXNJIKLRLIDJO-LBPRGKRZSA-N 407.474 4.509 0 40 HJAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c1 12754012 GWENGBXRNMTZPQ-UHFFFAOYSA-N 418.453 4.526 0 40 HJAB CCN(C(=O)CSc1nnc2scc(-c3cccc(OC)c3)n12)c1ccccc1 12878728 XDTXIMRHZPVVNI-UHFFFAOYSA-N 424.551 4.612 0 40 HJAB O=C1C[C@H](c2ccccc2)Cc2nc3nc(SCc4ccc(Cl)cc4)nn3cc21 13634243 ZDGUBEAPTQOWEJ-MRXNPFEDSA-N 420.925 4.983 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccccc2C)sc2c1CCCC2 13994718 XBYQBDOMEDDTDW-INIZCTEOSA-N 401.528 4.908 0 40 HJAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1CC 14085433 RYMKWBQHHAWDFB-UHFFFAOYSA-N 416.934 4.748 0 40 HJAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc1 14712771 PUSUJCKQTACSCP-AWEZNQCLSA-N 406.463 4.996 0 40 HJAB Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCCCC2)o1 15860448 VSTQCSRLMJGXMD-IBGZPJMESA-N 413.905 4.853 0 40 HJAB CC(C)(C)OC(=O)N1CCC[C@@H](c2nccc(-c3c[nH]nc3-c3cccc(F)c3)n2)C1 19083199 IOKJWCGPWBWPTP-MRXNPFEDSA-N 423.492 4.787 0 40 HJAB Cc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4nccc5ccccc45)o3)C2)s1 19216913 JDXAKCMMNIJZBX-INIZCTEOSA-N 404.495 4.675 0 40 HJAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCCC2)C1 19528857 KNOUOUODELCNRM-DEOSSOPVSA-N 410.583 4.503 0 40 HJAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccccc2)C1 19529034 DQDPZHBXDYJUCZ-HHHXNRCGSA-N 412.533 4.565 0 40 HJAB COc1ccc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)cc1 19553069 HZZHPESKZOFCKP-UHFFFAOYSA-N 403.404 4.610 0 40 HJAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2nnc(-c3ccco3)s2)CC1 23140798 UWTIGQFLXNGMEP-UHFFFAOYSA-N 407.417 4.837 0 40 HJAB C[C@H]1Cc2cc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)ccc2O1 25767160 AHYBNLWIFFFWHQ-AWEZNQCLSA-N 405.538 4.983 0 40 HJAB CCc1ccc(Nc2nnc(SCc3cccc(C)c3)n(-n3cccc3)c2=O)cc1 28535099 ATFMTEDYUZUCFQ-UHFFFAOYSA-N 417.538 4.658 0 40 HJAB O=C(CCc1nnc(-c2ccsc2)o1)N1Cc2ccccc2[C@H](c2ccccc2)C1 29704448 VCVZDLNXMRFABW-NRFANRHFSA-N 415.518 4.905 0 40 HJAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(F)c4)cc3)n2)cc1 32578463 YUAPNEPJEHOHCT-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(F)cc3)n2)c1 46012053 HUANZRKHNYJMCJ-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB COc1cccc(C(=O)CSc2ccc(-c3cccc(Br)c3)nn2)c1 57486357 BOPOCDAFTZMYFK-UHFFFAOYSA-N 415.312 4.890 0 40 HJAB Cc1nnc(SCc2c(C(=O)N[C@H](C)c3ccccn3)oc3ccccc23)s1 57994822 NJZTYTGVEKBVGR-GFCCVEGCSA-N 410.524 4.771 0 40 HJAB COc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1 67289681 IIUCYMLQYYTXEJ-UHFFFAOYSA-N 418.522 4.753 0 40 HJAB COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)Nc1ncc(-c2ccccc2)s1 72306073 DWBUWDMDTUEWLG-INIZCTEOSA-N 409.511 4.653 0 40 HJAB O=C(Cc1cccnc1)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349415 RVBXTBQGCJDCMW-HXUWFJFHSA-N 405.929 4.670 0 40 HJAB O=C(C1CCCC1)N1CCCC[C@H]1c1ccnc(Nc2cc(C(F)(F)F)ccn2)n1 72377954 GBJJIAANSKQIKP-KRWDZBQOSA-N 419.451 4.878 0 40 HJAB O=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)c1ccc2ncsc2c1 96356709 WXUCAUXEMNXJHE-UHFFFAOYSA-N 413.462 4.584 0 40 HJAB Cc1ccc(-c2csc3ncnc(OCC(=O)N[C@H](C)[C@H]4C[C@@H]5CC[C@@H]4C5)c23)cc1 103126292 FTDWRQXZJBSTKC-PSBWJHGTSA-N 421.566 4.986 0 40 HJAB Cc1cccc(N(CCCC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1C 113962666 QHZAFQRJZOMRAM-UHFFFAOYSA-N 402.560 4.612 0 40 HJAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)CC(C)(C)O2 219688775 DQFUKFAUAAGNLC-RDTXWAMCSA-N 418.331 4.943 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 222858364 MESIFPXFJQGCLM-HSZRJFAPSA-N 406.526 4.797 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 223447479 AAOSEMZBBRLVJD-FQEVSTJZSA-N 418.940 4.744 0 40 HJAB O=C(Nc1nnc(-c2ccccc2)s1)C1CCN(Cc2cccc(Cl)c2)CC1 223457618 CQYMNIBXVUABIT-UHFFFAOYSA-N 412.946 4.709 0 40 HJAB CCCC[C@H](CC)CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 223844925 ONNFCJWNOYVRPR-IBGZPJMESA-N 416.587 4.766 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 223950262 GGEQOKFTIDOLOR-QFIPXVFZSA-N 408.523 4.677 0 40 HJAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COCc3ccccc3)c2)c1 224352602 MBYUELVFMXUODK-UHFFFAOYSA-N 407.466 4.682 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccccc2)cc1 224443762 ZTFIFSKGDBQCQD-UHFFFAOYSA-N 422.550 4.712 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 225714164 VNCPEQOCJKKRQR-HSZRJFAPSA-N 418.537 4.551 0 40 HJAB CCCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OC)c2)CCC[C@@H](C)C1 225853550 XQDUDQGJJARYDS-SAHWJRBASA-N 405.535 4.965 0 40 HJAB CCOc1cc(C(=O)O)cc(Br)c1OC(=O)c1cccc2ccccc12 226364772 ZEZMQOZTRYKHDT-UHFFFAOYSA-N 415.239 4.918 0 40 HJAB CC(C)[C@@H]1C[C@@]2(CCCN2S(=O)(=O)c2ccccc2)CO[C@H]1c1cccc(F)c1 257337480 YSYYTJGJZHXHDZ-VABKMULXSA-N 417.546 4.783 0 40 HJAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccc(C)cc2)cc1 408675617 JTFXANBMHUGYQH-UHFFFAOYSA-N 412.489 4.813 0 40 HJAB COc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1OC 408926869 WPFXAUJAYIZWLM-UHFFFAOYSA-N 414.354 4.603 0 40 HJAB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@@H]32)cc1OC 408999038 RESLALLENNWDEN-IGKWTDBASA-N 401.462 4.873 0 40 HJAB O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)s1)c1cccc2ccccc12 618256893 YJHGEMJLNGXECO-INIZCTEOSA-N 415.561 4.642 0 40 HJAB O=C(c1c(Cl)cccc1Cl)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912738 XQIIDKMYYXCGIE-FQEVSTJZSA-N 412.288 4.569 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(C)cc2)n1CC 687627 JVFBMCOUGAJGPD-UHFFFAOYSA-N 424.570 4.787 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC(C)(C)SC2 866575 VWOAKCKTWSBXQB-UHFFFAOYSA-N 405.541 4.510 0 40 HJAB O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1Cc1ccco1 953975 BRQACAIKZKODJF-NRFANRHFSA-N 407.520 4.968 0 40 HJAB CCCCC(=O)Cc1cc2cc(Br)cc(Br)c2oc1=O 2139245 BHFXHCHANWNTQF-UHFFFAOYSA-N 402.082 4.620 0 40 HJAB biogenic COc1ccc2c(-c3ccccc3)cc(SCC(=O)Nc3cc(C)on3)nc2c1 2660913 QCNFXAWUIJEIEI-UHFFFAOYSA-N 405.479 4.938 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1nccn1-c1cc(C)cc(C)c1 2723104 VNDQPJCHCHAJTC-UHFFFAOYSA-N 401.919 4.882 0 40 HJAB Cc1sc2ncn3nc(-c4cc(C(F)(F)F)nn4C)nc3c2c1-c1ccccc1 2791809 SGOMZOSRVOFPJM-UHFFFAOYSA-N 414.416 4.734 0 40 HJAB O=C(N/C(=C\c1ccc(-c2ccccc2)o1)C(=O)N1CCCCC1)c1ccccc1 3066078 VVIUBODTHARKLW-PYCFMQQDSA-N 400.478 4.730 0 40 HJAB O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1Cc1ccccc1 3213056 ATQJTDXQSKPLGT-XMMPIXPASA-N 412.518 4.709 0 40 HJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c1C 3283733 XNNOCRAIQJJGQU-UHFFFAOYSA-N 414.408 4.503 0 40 HJAB Cc1ccc(NC(=O)COC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1C 3353931 MFLFOTCRTLPISG-UHFFFAOYSA-N 414.914 4.805 0 40 HJAB Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)n2)cc1C 3428240 HUTJRJPQFUDXJX-UHFFFAOYSA-N 422.478 4.676 0 40 HJAB CCC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 3533687 TWBBNYGYPMRAJD-CQSZACIVSA-N 418.950 4.637 0 40 HJAB COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(OC)c1O 4164917 XZRWLORIUTVVOV-KSFYIVLOSA-N 408.479 4.713 0 40 HJAB COc1ccc(-n2c(S[C@@H]3CCCCC3=O)nnc2-c2ccccc2)cc1OC 4246501 MMYBJVYVMOLVMJ-HXUWFJFHSA-N 409.511 4.555 0 40 HJAB Cc1cccc(NC(=O)c2c(NC(=O)CN3CCCCCC3)sc3c2CCC3)c1 4554483 VREGBMGZNYXOBI-UHFFFAOYSA-N 411.571 4.612 0 40 HJAB Cc1oc2cc3oc(=O)c(CC(=O)NCc4ccccc4Cl)c(C)c3cc2c1C 4744121 WJVWPFXZKMOPSZ-UHFFFAOYSA-N 409.869 4.977 0 40 HJAB COc1ccccc1-c1nnc(SCc2ccc3c(c2)OCO3)n1-c1ccccc1 4840826 SHQWDSASZOPFSS-UHFFFAOYSA-N 417.490 4.964 0 40 HJAB O[C@@]1(C(F)(F)F)[C@H]2CCc3ccccc3C2=NN1c1nc(-c2ccccc2)cs1 5275037 LIPWZSDAPDDIIE-OXJNMPFZSA-N 415.440 4.848 0 40 HJAB CCn1c(S[C@H](C)C(=O)N2CCc3ccccc32)nnc1-c1ccc(Cl)cc1 5309332 SIYBVIGDEVODLE-CQSZACIVSA-N 412.946 4.688 0 40 HJAB CCOc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3cccc(Cl)c3)o2)cc1 5391811 KFDUUQHLBMVUHD-CYBMUJFWSA-N 417.918 4.758 0 40 HJAB CCCc1oc2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc2c1C(=O)OCC 5508702 GCIYNKOFWJGXND-UHFFFAOYSA-N 415.511 4.925 0 40 HJAB CCCSc1nnc2c(n1)OC1(CCCC1)Nc1ccc(Br)cc1-2 5735998 KVJVZTLUGCKIRL-UHFFFAOYSA-N 407.337 4.878 0 40 HJAB biogenic CCCCC(=O)Nc1cccc(NC(=O)c2ccc(OC)c(Br)c2)c1 6396899 PWFSKILUPPUKLA-UHFFFAOYSA-N 405.292 4.839 0 40 HJAB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 6597954 CFFZLIWBROPKMG-DEOSSOPVSA-N 405.425 4.712 0 40 HJAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(c2nc3ccccc3s2)CC1 7579682 HLRKHGNBXPHJHS-MRXNPFEDSA-N 411.546 4.662 0 40 HJAB Cc1cccc(C(=O)Nc2c(C(=O)c3ccc4c(c3)OCCO4)oc3ccccc23)c1 7616158 RIPPZWKOCFPBNQ-UHFFFAOYSA-N 413.429 4.996 0 40 HJAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1Cl 8022368 GXNIQNRGUZRTIW-HXUWFJFHSA-N 413.901 4.733 0 40 HJAB NC(=O)N[C@H](CC(=O)Nc1cccc(/C=C/c2ccccn2)c1)c1ccc(Cl)cc1 8346238 AQVUDXVOMFFFMZ-JYNAJPCDSA-N 420.900 4.644 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1 8810201 OHPAPIRMBCXSPB-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB O=C(CSc1nc(CC(=O)Nc2ccccc2)cs1)Nc1ccc(Cl)cc1 8852430 UZTWGTKXMCYCDI-UHFFFAOYSA-N 417.943 4.709 0 40 HJAB O=C(CCc1ccccc1)Nc1c(C(=O)c2ccc3c(c2)OCO3)oc2ccccc12 9328391 APXCMMPFTXCEHR-UHFFFAOYSA-N 413.429 4.964 0 40 HJAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)N[C@H](C)c2ccccc2C)cc1 9593075 MIRGWRHCHUXGTP-GOSISDBHSA-N 418.493 4.512 0 40 HJAB Nc1nc2n(n1)[C@@H](c1c(F)cccc1Cl)C[C@@H](c1ccc(Br)cc1)N2 9805619 JUPSJZLFMGUQSX-UONOGXRCSA-N 422.689 4.562 0 40 HJAB Cc1noc(C(C)C)c1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 10483206 CGFOUWNGQNOQRN-UHFFFAOYSA-N 414.509 4.948 0 40 HJAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc2c(c1)OCCCO2 10694619 PELHASVZHMNVCB-NRFANRHFSA-N 412.489 4.891 0 40 HJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccccc2Cl)cc1 11117073 ZUZALZQOZIDTNT-UXHICEINSA-N 413.930 4.856 0 40 HJAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1Oc1ccccc1 11261235 LEHBIGGCAKXLIE-QGZVFWFLSA-N 401.466 4.655 0 40 HJAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)/C(=N/NC(=O)c3ccncc3)CC[C@H]12 12474907 AUKSBJWTRCVBGS-ZKCFJFMOSA-N 409.574 4.571 0 40 HJAB O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccc2[nH]cnc2c1 12535539 MFIQWTCWJOKVDH-UHFFFAOYSA-N 413.300 4.625 0 40 HJAB CC(C)Cc1ccc([C@@H](C)NC(=O)COc2cc3ccccc3cc2C(=O)O)cc1 12851732 WCEIQPDZPKGLFE-QGZVFWFLSA-N 405.494 4.993 0 40 HJAB O=C(NCc1noc(COc2ccc(-c3ccccc3)cc2Cl)n1)c1ccccc1 12950191 ACWAVSQSPAIDHW-UHFFFAOYSA-N 419.868 4.899 0 40 HJAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)c1C 19298307 CUGXUHLLOBSMHC-CQSZACIVSA-N 401.507 4.817 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 20436481 YYICNUDKQDKVAD-HNNXBMFYSA-N 407.266 4.540 0 40 HJAB CN(Cc1ccco1)C(=O)COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 22703113 YYGVDYAKMMFEKU-UHFFFAOYSA-N 417.383 4.781 0 40 HJAB Cc1cccc(C)c1NC(=O)CN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 23956397 QGUUKFIHKHTXCP-RUZDIDTESA-N 411.505 4.937 0 40 HJAB Cc1sc2nc(CN3CCOCC3)nc(SCc3cccc(F)c3)c2c1C 24835149 BHELWEAZFIGRPW-UHFFFAOYSA-N 403.548 4.572 0 40 HJAB COc1ccccc1C(=O)Nc1ccc(-n2nc(C)c(Br)c2C)cc1 28573019 LJUDZQZRRZELOO-UHFFFAOYSA-N 400.276 4.513 0 40 HJAB COc1ccc(-c2csc(CCNC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1 31848970 OYPHEWRBJNUXJW-UHFFFAOYSA-N 406.429 4.810 0 40 HJAB CCn1ncc2c(C(=O)N3CCCc4cc(F)c(F)cc43)cc(-c3ccccc3)nc21 31927674 MZIGXNQIOAMMTB-UHFFFAOYSA-N 418.447 4.989 0 40 HJAB COc1ccc(CN2CCc3nc(SCc4cc(C)ccc4C)nc(O)c3C2)cc1 33287256 VPHRNVKSFCIUHR-UHFFFAOYSA-N 421.566 4.658 0 40 HJAB COc1ccc(-c2c[nH]c3c(SCC(=O)Nc4cc(C)ccc4C)ncnc23)cc1 33291875 WPXNOBOTUWVFBA-UHFFFAOYSA-N 418.522 4.981 0 40 HJAB O=C(CSC(=S)N1CCCC1)Nc1cc(C2CCCC2)nn1-c1ccccc1 40020182 WEJJDGHWVPEHEO-UHFFFAOYSA-N 414.600 4.582 0 40 HJAB COc1ccccc1/C=C(/C(=O)N(C)Cc1cccc(OC)c1OC)c1ccccc1 40050853 CEAHANJTUMUWGA-OQKWZONESA-N 417.505 4.912 0 40 HJAB CN(c1ccc2sc(C(=O)Nc3ccccc3)cc2c1)S(=O)(=O)c1ccccc1 46058498 DMXGFCTUOVBKIK-UHFFFAOYSA-N 422.531 4.979 0 40 HJAB CC(C)(C)OC(=O)N1CC[C@@H](Nc2nc3ccccc3n2Cc2ccc(F)cc2)C1 50861100 SISOIGGGBXCPOY-GOSISDBHSA-N 410.493 4.645 0 40 HJAB Cc1cc2oc(=O)cc(CN3CCN(c4ccccc4F)CC3)c2c(C)c1Cl 54105988 UNSIBKJXUYHJSP-UHFFFAOYSA-N 400.881 4.525 0 40 HJAB biogenic Cc1cc(C)cc(OCC(=O)Nc2cc(C)c(I)c(C)c2)c1 57315975 LYLVODWXGAWLHR-UHFFFAOYSA-N 409.267 4.542 0 40 HJAB O=c1oc2ccc(Cl)cc2n1C1CCN(Cc2cccn2-c2ccc(O)cc2)CC1 72347913 HZIAQVZRHQOVCL-UHFFFAOYSA-N 423.900 4.581 0 40 HJAB C[C@@H]1CCCN(c2ncc(CN3CCc4nc(-c5cccc(F)c5)sc4C3)cn2)C1 72392041 OCGHULCGTPUGJQ-MRXNPFEDSA-N 423.561 4.534 0 40 HJAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cnoc1-c1ccc(Cl)s1 84651603 DNEMLJZYJFPPRW-LBPRGKRZSA-N 410.948 4.653 0 40 HJAB O=C(c1cscn1)N1CC[C@]2(CCN(Cc3ccc(-c4ccccc4)cc3)C2)C1 96203118 IYUCZSCHAIZYFF-DEOSSOPVSA-N 403.551 4.548 0 40 HJAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(OCc2ccccn2)cc1 97152213 DJXAKLJKERKYSI-QGOAFFKASA-N 415.518 4.993 0 40 HJAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102755216 CVLPMAZXXKVYIN-BHIFYINESA-N 418.880 4.700 0 40 HJAB O=S(=O)(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1cccs1 208006127 WBASUEZUOHUGFW-UHFFFAOYSA-N 414.537 4.811 0 40 HJAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215182720 XMRISNKIRQFLRN-OMCISZLKSA-N 408.262 4.959 0 40 HJAB O=C(Nc1ccccc1Oc1ccccc1)c1cccc(N2CCCCS2(=O)=O)c1 222554955 DCWDZQJFBDIBSX-UHFFFAOYSA-N 422.506 4.661 0 40 HJAB Cc1ccc(OCCCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 223118754 QREYBMAZDZMMSK-OAQYLSRUSA-N 424.585 4.529 0 40 HJAB CC1=NS(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc34)ccc2N1CC(C)C 223119754 BZLXSZCZCKJOCN-UHFFFAOYSA-N 421.522 4.675 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223666277 WSYMTKDIFMJPLN-FQEVSTJZSA-N 408.586 4.779 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 225067150 IPYBAKANLXXVMZ-DEOSSOPVSA-N 422.569 4.630 0 40 HJAB O=C(CCc1ccc(Cl)cc1Cl)NCc1nc(-c2ccccc2Cl)no1 225380537 KQKWNHBRVCVAIU-UHFFFAOYSA-N 410.688 4.946 0 40 HJAB CO[C@@]1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225635635 NIUCCHZYCQURBK-FDGPYGQJSA-N 402.579 4.577 0 40 HJAB Cc1nc([C@]2(O)CCCN(C3CCCC3)CC2)sc1CCOc1ccc(F)cc1 257279692 OHTOBRPVVOWRKX-QHCPKHFHSA-N 418.578 4.828 0 40 HJAB Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 257301892 SAKPBTJUUWPLOY-OAQYLSRUSA-N 404.510 4.667 0 40 HJAB CCCC(=O)N1CCC(Cc2ccccc2-c2cccc(F)c2)(C(=O)NC(C)C)CC1 257325456 WSZPOUOPKZGALF-UHFFFAOYSA-N 424.560 4.969 0 40 HJAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 408573374 CYPCKISSWJMRJP-NTCAYCPXSA-N 413.521 4.961 0 40 HJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3c4ccccc4C[C@H]23)c1OC 408994793 JFDPWODHHIQJQK-PMOQBDJRSA-N 401.462 4.873 0 40 HJAB CC(C)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 409134280 NRODIGCZDOTBLG-UHFFFAOYSA-N 408.523 4.887 0 40 HJAB Cc1ccc(OCc2nn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=S)o2)cc1 409171363 ZSSVIWFPWUGEEA-UHFFFAOYSA-N 403.891 4.694 0 40 HJAB NC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccccc2Cl)CC1 585166502 SXQGJVVKNBMTBG-UHFFFAOYSA-N 419.956 4.712 0 40 HJAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCCN(C(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)CC2)C1(C)C 607949893 YLYMQCLFDYBTJM-XRXFAXGQSA-N 400.607 4.524 0 40 HJAB Cc1ccc(CC(=O)N2Cc3ccccc3NCC[C@H]3CC[C@@H](C2)N3C(C)C)cc1 643575447 FJRLNXNJGOUJMY-RPWUZVMVSA-N 405.586 4.623 0 40 HJAB Cc1cccc(Nc2ccccc2C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1C 681684866 WHLAJALIMWVBDA-SANMLTNESA-N 411.505 4.783 0 40 HJAB C[C@@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br)c1ccccc1 1462761020 DWONLHDBXMKVCC-SECBINFHSA-N 409.132 4.795 0 40 HJAB COc1cccc(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)c1Cl 1559346717 WWOKTBYVPPDDME-UHFFFAOYSA-N 423.925 4.794 0 40 HJAB COc1cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc(OC)c1OC 830179 WELIBNANKXBKBR-UHFFFAOYSA-N 417.465 4.816 0 40 HJAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccccc3)cc2c1 880229 VLAWPBPRPNZBFZ-UHFFFAOYSA-N 401.466 4.918 0 40 HJAB COC(=O)c1c(NC(=O)COc2c(C)ccc(C)c2C)sc2c1CC[C@@H](C)C2 951212 FYMGGKQYNGVDKN-GFCCVEGCSA-N 401.528 4.602 0 40 HJAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)cc1 2426521 FCFQXDSCACJLLA-UHFFFAOYSA-N 404.495 4.791 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)n2C)c1 2531727 ODAMTJFGRNUQPC-UHFFFAOYSA-N 406.433 4.540 0 40 HJAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1ccccc1F 2662167 MYGSVEIZOQNXHC-NRFANRHFSA-N 410.876 4.657 0 40 HJAB CCOC(=O)C1=C2Sc3ccccc3N2C(=O)N[C@@]1(c1ccccc1)C(F)(F)F 3261824 HJOKJIRVBPQXOP-LJQANCHMSA-N 420.412 4.554 0 40 HJAB O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccccc1-c1ccccc1 3329423 IIQYFZTXAOLNFU-UHFFFAOYSA-N 405.425 4.638 0 40 HJAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(Cl)c(Cl)c1 3423034 NVYDOQSRGAJYOK-UHFFFAOYSA-N 419.230 4.902 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CSC3)c1 4176156 UDWUGYWCBYXVEA-UHFFFAOYSA-N 409.511 4.505 0 40 HJAB CCCCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C)N2 4598067 LEYXVTFMLYTEHS-MRXNPFEDSA-N 406.939 4.676 0 40 HJAB CCc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1 4660859 VZTLRHNPFQMDRO-UHFFFAOYSA-N 401.484 4.670 0 40 HJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Br)o1 5435146 OAQHAFASLHPNBI-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccc(Cl)cc1Cl 5451554 MNFOQBLPYPXZTH-UHFFFAOYSA-N 406.269 4.714 0 40 HJAB CCN(C(=O)COC(=O)/C(=C/c1cccc(OC)c1)c1ccccc1)c1ccccc1 6053970 LXLONZVBRWSIJO-HKOYGPOVSA-N 415.489 4.832 0 40 HJAB CCCN(CC(=O)Nc1cccc(Cl)c1C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 6085378 GKMOZZIGDGBVRJ-HNNXBMFYSA-N 422.356 4.980 0 40 HJAB CSc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1 7109649 UDIVAMZICOQZTA-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)Cc1cccs1 7846786 VQYFEWNTHFGACO-IBGZPJMESA-N 413.930 4.804 0 40 HJAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)c1 7882318 BSRHUEOTYBHIKK-KRWDZBQOSA-N 404.441 4.918 0 40 HJAB COc1ccc(-c2nc(NC(=O)[C@@H](NC(=O)c3ccccc3)C(C)C)sc2C)cc1 7980738 YPSWYFJEOGVFNL-IBGZPJMESA-N 423.538 4.520 0 40 HJAB O=C(c1nccnc1-c1nc2ccccc2s1)N1CCC(Cc2ccccc2)CC1 8274968 LUVYSCFIAONLOL-UHFFFAOYSA-N 414.534 4.848 0 40 HJAB O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc(Br)cc1 8471175 WJKVLJDTXKIRGB-GNPFLCDCSA-N 406.279 4.898 0 40 HJAB Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccco1)[C@H]3c1ccccc1F 8612873 ZDHFQQCKOYDVTK-NRFANRHFSA-N 403.409 4.887 0 40 HJAB COc1ccc2nc(SCc3cc(=O)oc4cc(Br)ccc34)[nH]c2c1 8759847 AAIGFZNMLGGJRO-UHFFFAOYSA-N 417.284 4.733 0 40 HJAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 8987848 FHUJSHIEFGLQRM-FQEVSTJZSA-N 412.917 4.843 0 40 HJAB Cc1ccc(-n2c(C)nnc2SCC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 9127088 YLNNICZUPRFABH-MRXNPFEDSA-N 424.595 4.894 0 40 HJAB Cc1ccc(NC(=O)c2cc3c(=O)n4cc(C)ccc4nc3n2Cc2ccccc2)cc1 9187305 LXWZPUPVDXGCBO-UHFFFAOYSA-N 422.488 4.567 0 40 HJAB O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1cccc(F)c1 9366811 BAEUVJSGXSPCKN-UHFFFAOYSA-N 424.320 4.984 0 40 HJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1C 9665560 VZXKPYDTZWAKLO-UHFFFAOYSA-N 414.962 4.972 0 40 HJAB COc1ccc([C@H](NC(=O)N(C)CC(=O)Nc2cccc3ccccc23)C(C)C)cc1 9869234 ALLIHWRJLLCDEM-XMMPIXPASA-N 419.525 4.826 0 40 HJAB C[C@@H]1Oc2c(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cccc2[C@@H]1C 9996124 HLOMZCZFTJFIOE-CVEARBPZSA-N 402.498 4.808 0 40 HJAB Cc1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)Nc1ccc(Cl)cc1 10027271 JDVCBQLNVZUGDP-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11072905 DAVLWRDFILZUFS-KOSHJBKYSA-N 415.537 4.628 0 40 HJAB O=C(Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1)c1cccc(F)c1 11665519 ZLSYSKJSYKMOLP-UHFFFAOYSA-N 415.453 4.911 0 40 HJAB Cc1cc2nnc(SCC(=O)N3CCCc4ccccc43)n2c2c(C)cccc12 11907686 RUUQWPITTWFDPV-UHFFFAOYSA-N 402.523 4.571 0 40 HJAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC(c2onc3c2C[C@H](C)CC3)CC1 12119928 HVMONLJWBNOKGA-CQSZACIVSA-N 409.505 4.677 0 40 HJAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCC(c3nc4ccccc4o3)CC2)no1 12815522 VNWKMKBSFALBJW-JOCHJYFZSA-N 416.481 4.684 0 40 HJAB O=C(c1ccc(I)cc1)N1CCSc2ccc(Cl)cc21 12974032 GZMLPCNNEUKGGH-UHFFFAOYSA-N 415.683 4.697 0 40 HJAB C[C@H](OC(=O)c1ccc(SCc2cscn2)cc1)c1nc2ccccc2c(=O)[nH]1 12996931 RHQKKRIDUVLRPD-ZDUSSCGKSA-N 423.519 4.590 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)C1=NN(c2ccccc2)C(=O)CC1 13592747 AUKDBGZUSWAMSZ-UHFFFAOYSA-N 416.915 4.647 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2sccc2C)NC(=S)N1 13879041 ITKQMDBARQDCEF-AWEZNQCLSA-N 411.474 4.507 0 40 HJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 13946116 OZJHIIZLJLXPFD-UHFFFAOYSA-N 413.264 4.988 0 40 HJAB CSc1cccc(NC(=O)CCc2csc(NC(=O)NC3CCCCC3)n2)c1 16978869 CUCFWZOGVAQYFZ-UHFFFAOYSA-N 418.588 4.891 0 40 HJAB O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)NC1CCCCC1 17156536 XOVABVYTYOCSMB-UHFFFAOYSA-N 400.935 4.591 0 40 HJAB CCCC(=O)N1CCC(c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)CC1 19501165 FTEBAEXOKAQVJW-UHFFFAOYSA-N 419.504 4.927 0 40 HJAB COCC(=O)N1CCc2sccc2[C@H]1c1ccc(NCc2ccc(F)cc2)cc1 19592933 QJHJITTZSXXPSX-HSZRJFAPSA-N 410.514 4.620 0 40 HJAB COc1ccc(C2=NC[C@H](CSc3nc(Cc4ccccc4)c(C)[nH]3)S2)cc1 21331807 FISGBPGFEAFNDK-LJQANCHMSA-N 409.580 4.972 0 40 HJAB COc1ccc2nc(NC(=O)CSC3=Nc4ccccc4CS3)sc2c1 22021991 OEKIRZVYJCLYLF-UHFFFAOYSA-N 401.538 4.911 0 40 HJAB COCC(=O)Nc1cccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)c1 24683006 DLVWPDSQKUONFT-UHFFFAOYSA-N 417.509 4.615 0 40 HJAB CCc1cc2c(=O)n(CCC(=O)Nc3ccccc3-c3ccccc3)cnc2s1 24832154 UGIKFGFQQSTOJT-UHFFFAOYSA-N 403.507 4.716 0 40 HJAB Cc1cc(C)cc(-n2c(SCCCO)nnc2-c2ccc(Br)cc2)c1 25040495 NYELBKXLTBZJSH-UHFFFAOYSA-N 418.360 4.788 0 40 HJAB CC(=O)Nc1ccc(OC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)cc1 32885581 BDBIKCFBVVSTGK-UHFFFAOYSA-N 407.451 4.746 0 40 HJAB CC(C)c1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)cc1 33088983 DTMQNXPNABDYSS-UHFFFAOYSA-N 411.299 4.696 0 40 HJAB CC(C)c1nc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)ccc2o1 33216462 GIWNCBRJVDTJTB-IBGZPJMESA-N 417.465 4.524 0 40 HJAB Cc1ccc(CN(CCc2ccccc2)C(=O)CCn2c(=O)oc3ccccc32)s1 36397894 IOUBQHMQSSWCHI-UHFFFAOYSA-N 420.534 4.626 0 40 HJAB Cc1ccc(NC(=O)c2cnn(C)c2C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 36617894 DPKLREAQHXHBNA-UHFFFAOYSA-N 417.296 4.848 0 40 HJAB CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 40104618 LBWNSSSRXPLARA-UHFFFAOYSA-N 417.300 4.646 0 40 HJAB O=C(CCCc1cccs1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40107805 VSSLJZSAAYPVOK-SFHVURJKSA-N 424.488 4.570 0 40 HJAB O=C(c1[nH]c2ccc(Br)cc2c1Cl)N1CCN(c2ccccc2)CC1 40142914 MYOMBGOVJGYNTH-UHFFFAOYSA-N 418.722 4.546 0 40 HJAB COc1ccc2oc(=O)c(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)cc2c1 41125373 AAXVNNPAVMHEHN-UHFFFAOYSA-N 414.413 4.508 0 40 HJAB CC(C)N(C)CC1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1 48331990 LYQRQJSXLONRMY-UHFFFAOYSA-N 403.570 4.882 0 40 HJAB CSc1ccc(Cl)c(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c1 58193671 PYVHTXBDJNOZIC-UHFFFAOYSA-N 420.987 4.812 0 40 HJAB O=C(NCCC(=O)N1CCCc2ccccc21)c1[nH]c2ccc(Cl)cc2c1Cl 58387496 APQKWJZKLDSVPP-UHFFFAOYSA-N 416.308 4.574 0 40 HJAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)C1=Cc2ccccc2OC1 72396968 FWSWSUHAVLSFTE-NRFANRHFSA-N 419.912 4.554 0 40 HJAB CCC(=O)N1N=C(c2ccccc2OC)C[C@H]1c1cc2ccc(OC)cc2nc1Cl 95945286 FEKNAITXKKHKEV-FQEVSTJZSA-N 423.900 4.993 0 40 HJAB O=C1C[C@@H](NC(=O)c2cccnc2Oc2ccc(Br)cc2)c2ccccc21 95997284 ZXMIGYWHERTDHC-GOSISDBHSA-N 423.266 4.694 0 40 HJAB CCOc1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1OC 98086592 HLEYCVZLFDWPSI-UHFFFAOYSA-N 410.543 4.728 0 40 HJAB Cc1ccc(N/C=C(/c2nnc(C(F)(F)F)n2-c2ccc(C)cc2)[N+](=O)[O-])cc1 100142712 RFISBRLDQMNDCK-WJDWOHSUSA-N 403.364 4.590 0 40 HJAB CO[C@H]1CC[C@H](C(=O)N2CCc3onc(Nc4cccc(C(F)(F)F)c4)c3C2)CC1 100744983 DUUSUEIQBDHGHT-AKAXFMLLSA-N 423.435 4.527 0 40 HJAB O=C(O)c1ccccc1N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 102931400 MNQSSKWAZTYOTK-GHRIWEEISA-N 418.836 4.678 0 40 HJAB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl 138981918 SWQYTJMOEBIUEG-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 222442376 VABVUXVRQGREBC-XMMPIXPASA-N 424.585 4.794 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 223735771 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422.573 4.651 0 40 HJAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 5240913 QCKRWVHNVSVCSR-UHFFFAOYSA-N 406.916 4.509 0 40 HJAB CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)on2)c1 5244984 PRZNHFBNQJPPKE-NRFANRHFSA-N 416.433 4.546 0 40 HJAB O=C([C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1)N1CCCCC1 5278143 SRVHFYMGUSHSFK-NRFANRHFSA-N 418.566 4.991 0 40 HJAB Cc1cc(C(=O)COC(=O)/C=C/c2ccc3ccccc3n2)c(C)n1CC(F)(F)F 6558909 NDOKRCDOUFTFJJ-MDZDMXLPSA-N 416.399 4.655 0 40 HJAB Cc1sc2nc(S[C@@H](C(=O)N(C)C)c3ccccc3)n(C(C)C)c(=O)c2c1C 6844438 WOVXCEJMUAZMDP-QGZVFWFLSA-N 415.584 4.577 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112780 PALWLOMSKFREDD-DEOSSOPVSA-N 412.493 4.908 0 40 HJAB CC(C)c1ccc(OCc2nnc(SCc3nc4ccccc4s3)n2N)cc1 7191735 YLDQCSCMQZMUMR-UHFFFAOYSA-N 411.556 4.596 0 40 HJAB CCc1ccccc1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 7268138 ZQKWMFDEBYAEGH-LJQANCHMSA-N 415.537 4.814 0 40 HJAB Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 7616051 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COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cc(C)ccc2C)cc1 11115953 MZIHDMHFXOJRJE-FCHUYYIVSA-N 407.539 4.820 0 40 HJAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N3CCC(C)CC3)c2c1 12437959 YVHWGEFEDYPQLF-UHFFFAOYSA-N 424.566 4.929 0 40 HJAB CSc1ccc(CN(C)C(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1 12544564 XDXPOTLQQNXJQA-UHFFFAOYSA-N 408.552 4.540 0 40 HJAB CCOC(=O)c1c(C(=O)c2ccc(Cl)cc2)cn2c(=O)c3ccccc3sc12 12913153 KUSFTZVLFQNSOK-UHFFFAOYSA-N 411.866 4.575 0 40 HJAB CCOC(=O)c1ccc(NC(=O)CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 12983173 HIZLLSAJLWWDHR-DEOSSOPVSA-N 420.484 4.662 0 40 HJAB Cc1cccc(OCC(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 13003434 XYCBRYMGLIGFEX-UHFFFAOYSA-N 410.905 4.651 0 40 HJAB COc1ccc(-n2cc(-c3ccccc3)c3c(N4C[C@H](C)O[C@H](C)C4)ncnc32)cc1 13136831 MGBCTJNNPXMSMB-HDICACEKSA-N 414.509 4.710 0 40 HJAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccccc1 13718784 JGIAAZIWCMDWSH-UHFFFAOYSA-N 410.539 4.908 0 40 HJAB CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2O)N2C[C@@H](C)C[C@@H](C)C2)cc1 16690126 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Fc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1F 25329573 NQCJREXFLPZYPG-RDPSFJRHSA-N 420.415 4.978 0 40 HJAB Cc1cccc(-c2nnc(SCc3noc(C(C)(C)C)n3)n2Cc2ccco2)c1 32778947 SGJBKXAYISESGR-UHFFFAOYSA-N 409.515 4.868 0 40 HJAB COc1ccc(NC(=O)COc2ccccc2-c2noc(-c3cccc(C)c3)n2)cc1 33325046 FOAZMRFQOQJOKC-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB Cc1ccc(/C=C2/SC(=O)N(CNc3cccc(Br)c3)C2=O)cc1 33921514 XQOLVYGSWCPNEE-CXUHLZMHSA-N 403.301 4.863 0 40 HJAB Cc1ccc(-c2noc([C@H](C)N3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)cc1F 36389829 JJEGBUXDECEGPF-WMZOPIPTSA-N 408.477 4.596 0 40 HJAB CCOc1ccc(-c2nc(CS(=O)(=O)Cc3cccc(Cl)c3)cs2)cc1 40070128 DIBDLVRAVHGXRL-UHFFFAOYSA-N 407.944 4.977 0 40 HJAB CN(Cc1ccc(Br)o1)Cn1nc(C2CC2)n(-c2ccccc2)c1=S 48343120 NTLQHQWHQRBQEB-UHFFFAOYSA-N 419.348 4.726 0 40 HJAB Cc1cc(C)c(C(=O)CCCC(=O)NCc2ccc(CN3CCCC3)cc2)c(C)c1 58015367 LRUHOXFTLGGIRK-UHFFFAOYSA-N 406.570 4.877 0 40 HJAB CCOC(=O)c1c(NC(=O)CSCc2ccc(Cl)cc2)sc2c1CCC2 58824486 OAHHLLOZRHBPNK-UHFFFAOYSA-N 409.960 4.939 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCCCC2 71327987 OPEVJNRFFOJGHS-UHFFFAOYSA-N 409.917 4.579 0 40 HJAB Cc1ccc(C(=O)N2CCC([C@@H]3CC(=O)c4ccccc4O3)CC2)cc1-n1cccc1 72336671 AFOYKDKVYFHFMB-VWLOTQADSA-N 414.505 4.672 0 40 HJAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 72345071 NGGBQUSDDVGCIX-WIYYLYMNSA-N 424.610 4.747 0 40 HJAB O=C(Nc1ccc(F)cc1)O[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccccc3)on2)C1 77200357 ACSSJRQHXHGPQC-RTBURBONSA-N 423.444 4.770 0 40 HJAB COc1ccc(CCC(=O)N2CC[C@@](C)(CCc3ccccc3)C2)c(OC)c1OC 79049996 DOLZASQCOCLQRR-RUZDIDTESA-N 411.542 4.516 0 40 HJAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3nc(-c4ccncc4)cs3)o2)n1 79480459 LZOXGUPHOOLBGD-UHFFFAOYSA-N 423.523 4.750 0 40 HJAB CC(C)(C)c1nc(CC(=O)NCCc2csc(-c3ccc(F)cc3)n2)cs1 95444713 PHSULAUMFVEGQH-UHFFFAOYSA-N 403.548 4.605 0 40 HJAB C[C@H](c1cccnc1)N(CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C1CC1 95446753 VCMTWPFZVRWBHK-UZLBHIALSA-N 420.538 4.639 0 40 HJAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCCCc1nc2ccccc2[nH]1 95479480 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CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1ccccc1 906805 MYEKIPFSJYGSBL-CQSZACIVSA-N 415.950 4.683 0 40 HJAB O=C(CN1CCc2ccccc21)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 1016859 SVVOVIJFVPMWEJ-XMMPIXPASA-N 417.459 4.705 0 40 HJAB COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCc1cccs1 1075113 BGNROSHWFALUMU-UHFFFAOYSA-N 415.902 4.771 0 40 HJAB CCCCCC(=O)NC(=S)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1 2052150 DSUIQPRVAKZRDH-UHFFFAOYSA-N 417.538 4.967 0 40 HJAB Cc1ccc([C@]2(CCNS(=O)(=O)c3ccc(C)cc3)CCO[C@H](C(C)C)C2)cc1 2237268 IDNUCAKYMLCODK-BJKOFHAPSA-N 415.599 4.745 0 40 HJAB CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 2264141 VNRHASMMRTWZCE-OAHLLOKOSA-N 401.514 4.808 0 40 HJAB O=C(Nc1ccccc1)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc12 3015946 DRWNUWSKLKFBQX-UHFFFAOYSA-N 409.367 4.657 0 40 HJAB COc1ccccc1NC(=O)C(=Cc1ccc(F)cc1)C(=O)Nc1ccccc1OC 3313613 RAKPLZVEHRRHSU-UHFFFAOYSA-N 420.440 4.504 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3)s2)cc1 3326213 DMPIIQUKKAQLEP-UHFFFAOYSA-N 422.482 4.922 0 40 HJAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3496142 UZJGWDYGHBHWSW-SECBINFHSA-N 400.813 4.521 0 40 HJAB CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)nc1C 3643170 YCSCOYMJJFAKMA-GOSISDBHSA-N 416.458 4.510 0 40 HJAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccco1 4588346 DWAROKFVMDXGCM-CQSZACIVSA-N 407.470 4.826 0 40 HJAB COC(=O)C(C(=O)OC)[C@@H](c1ccc(Cl)cc1)[C@@H](C)C(=O)c1ccc(C)cc1C 4694044 KXZKTUCOFABAST-DNVCBOLYSA-N 416.901 4.522 0 40 HJAB COc1ccc(C(=O)Nc2cc(C)c(NC(=O)C34CC5CC(CC(C5)C3)C4)cn2)cc1 4858362 UBAMURPZOIHFFM-UHFFFAOYSA-N 419.525 4.806 0 40 HJAB CSc1cccc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)c1 6043753 AGNIRPVVNDJZFK-UHFFFAOYSA-N 403.301 4.577 0 40 HJAB Cc1ccc(CSc2nnc([C@@H](NC(=O)c3cccc(C)c3)C(C)C)n2C)cc1 6300183 DMPNDKIVUBMJSJ-FQEVSTJZSA-N 408.571 4.851 0 40 HJAB C[C@@H](CNC(=O)CSc1nn(-c2ccccc2)c(=S)s1)c1ccccc1 6510763 YDASKOAYCHONJW-AWEZNQCLSA-N 401.582 4.675 0 40 HJAB COc1ccc2oc(C(=O)Nc3sc(-c4ccccc4)cc3C(N)=O)c(C)c2c1 6589872 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FLDDMZQQVXBXTI-UHFFFAOYSA-N 412.486 4.529 0 40 HJAB O=C(CCN1CCN2CCC[C@@H]2C1)N1c2ccccc2Sc2ccc(Cl)cc21 19804668 ZQTOZLYOIRKCPL-QGZVFWFLSA-N 413.974 4.639 0 40 HJAB in-man Cc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20151511 BQNAWOXUUXIACB-UHFFFAOYSA-N 400.887 4.528 0 40 HJAB O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1 22389851 NDXGHTRTSKHWDL-UHFFFAOYSA-N 401.470 4.578 0 40 HJAB CC[C@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)N(CC)c2ccccc2)c1 24761945 PWRPPFAAELFQKS-FQEVSTJZSA-N 414.571 4.615 0 40 HJAB Cc1nc(-c2ccc(NC(=O)/C=C/c3ccc(C(=O)NC4CC4)cc3)cc2)cs1 28483108 JRURRXLRAWLRDT-YIXHJXPBSA-N 403.507 4.663 0 40 HJAB C[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 30229717 YLHVXQXUHYEQNA-KSFYIVLOSA-N 421.928 4.984 0 40 HJAB Cc1cc(NC(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)no1 31661227 YBSPETWSQGAWRX-UHFFFAOYSA-N 416.934 4.715 0 40 HJAB Cc1cc(C)cc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)c1 33089194 VCSBKZHJXAHTEC-CYBMUJFWSA-N 411.299 4.750 0 40 HJAB CCc1ccc(Oc2cc(N3CCC(C(=O)N[C@H]4CCCC[C@H]4C)CC3)ncn2)cc1 33311974 ZIKAISIEGXXOFF-GCJKJVERSA-N 422.573 4.743 0 40 HJAB COc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1 35311859 ZLJLBEVCSPUQSM-ALOPSCKCSA-N 401.601 4.629 0 40 HJAB COc1ccc(Cc2nnc(S[C@@H](C)c3nnc(-c4ccc(C)cc4)o3)o2)cc1 39982372 AXXLMXHGVKUJHE-AWEZNQCLSA-N 408.483 4.881 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)Nc1ncc(Cc2ccc(F)c(F)c2F)s1 40110690 FVIDCNOFNZKTMM-UHFFFAOYSA-N 401.413 4.814 0 40 HJAB Cc1c(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)oc2c1C(=O)CC(C)(C)C2 40115064 CAWKBBDXGWZAKS-UHFFFAOYSA-N 414.889 4.776 0 40 HJAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)c(OC)c1OC 40284129 GLWSUNDWRHJCRF-ZDUSSCGKSA-N 413.861 4.675 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 41191191 VVKQNGIKYUFFRR-CQSZACIVSA-N 414.836 4.651 0 40 HJAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc2nc(C)ccc12 59294498 AVGLSZOYFHSTSL-UHFFFAOYSA-N 401.491 4.832 0 40 HJAB Cc1ccc(C(N)=O)cc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 63949876 VWRIPEOOVLWJPE-UHFFFAOYSA-N 415.424 4.807 0 40 HJAB CCc1ccc(-c2noc(-c3nn(-c4cccc(C)c4)c(=O)c4ccccc34)n2)cc1 64949776 QJXANCPQEMHSLK-UHFFFAOYSA-N 408.461 4.974 0 40 HJAB CCc1ccccc1NC(=O)CSc1ncnc2c(-c3ccc(OC)cc3)c[nH]c12 71328145 KHWAXZIHSAEHBG-UHFFFAOYSA-N 418.522 4.927 0 40 HJAB Cc1ccc(Sc2ncccc2C(=O)NCCCc2nc(C(C)C)no2)cc1C 72274582 GUHGOYKABGLRKO-UHFFFAOYSA-N 410.543 4.719 0 40 HJAB C[C@@H]1CN(CC(=O)Nc2ccccc2Oc2ccccc2)c2ccccc2NC1=O 72305666 SRPWKXCJSKSYLN-QGZVFWFLSA-N 401.466 4.512 0 40 HJAB O=C(NC(=O)c1cc2ccccc2o/c1=N\c1ccccc1)c1cccc(Cl)c1 72332495 JGOJIVMNRLDWPI-BZZOAKBMSA-N 402.837 4.889 0 40 HJAB NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(Cc4ccc5[nH]ccc5c4)C3)n2)c1 72350440 WBQFPBRHUQOPKH-JOCHJYFZSA-N 410.521 4.708 0 40 HJAB Cc1nc2cc(C(=O)N3CCC[C@@H]3c3ccnc(-c4cccc(Cl)c4)n3)ccc2[nH]1 72355860 IMBIHWMTQSJACR-OAQYLSRUSA-N 417.900 4.959 0 40 HJAB O=C(CCOc1ccccc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72358270 IPRLXBQEXKHVND-XMMPIXPASA-N 404.485 4.944 0 40 HJAB O=C(Nc1cccc(NC(=O)c2cc3ccccc3c(Cl)n2)c1)c1ccncc1 95350036 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CCN(Cc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1)S(=O)(=O)c1ccccc1 224443603 FZZVREBPHUEZLA-UHFFFAOYSA-N 422.550 4.767 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 224630314 OSYLYLWIZIMEAV-DEOSSOPVSA-N 408.586 4.734 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224653911 AAUMRRYFYHRSMQ-FQEVSTJZSA-N 408.586 4.860 0 40 HJAB Cc1ccc(-c2nnc(NC(=O)COc3ccc(Br)c(C)c3)s2)cc1 225197392 DYNUXLZHPKRPGX-UHFFFAOYSA-N 418.316 4.602 0 40 HJAB CCc1ccc([C@@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 225697618 PFLBQPBSIZUBDQ-GOSISDBHSA-N 422.550 4.849 0 40 HJAB CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(Cc2cccnc2)CC1 257316449 VFQBTVSWNDXKQT-UHFFFAOYSA-N 413.565 4.662 0 40 HJAB Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 408573289 NMYFAXPYYHJDDT-UHFFFAOYSA-N 404.520 4.794 0 40 HJAB Cc1cccc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c1 408736287 AFGZWGGQYFQALR-XMMPIXPASA-N 400.522 4.906 0 40 HJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)ccc3OC)S2)cc1 408776807 QWZXGQOJIJDHKG-XGHXRCDJSA-N 419.344 4.620 0 40 HJAB CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)NC(SCc2cccc(F)c2)=N1 408992992 VLFXFONDXZHENR-QGZVFWFLSA-N 424.328 4.826 0 40 HJAB O=C(CSCc1ccc(Br)cc1)NCCSCc1ccccc1 409411093 ULQWGXKZKAREED-UHFFFAOYSA-N 410.402 4.732 0 40 HJAB CC1=C2C[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@H]2C[C@@H]2O[C@H]3C[C@@H](C)CN[C@@H]3[C@H](C)[C@H]12 584578776 AROKXPQLAKZWRT-ZCUIQRFUSA-N 411.630 4.858 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)NC[C@@H](OC)c2cccc(Cl)c2)cc1F 1684941903 XRFCARLDMMCSNS-UYAOXDASSA-N 406.885 4.722 0 40 HJAB O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccc(Br)o1 722706 QTKGBJSYLFSVIZ-UHFFFAOYSA-N 417.650 4.682 0 40 HJAB COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1CCCCC2 879606 JIHYUULZXWQSFU-UHFFFAOYSA-N 407.919 4.783 0 40 HJAB CCOc1ccc2nc3sc(C(=O)Nc4ccc(OC)cc4OC)c(N)c3cc2c1 907415 RROBJLZIXXQVET-UHFFFAOYSA-N 423.494 4.700 0 40 HJAB CC1(C)Cc2c(sc3ncn4nc(-c5ccc6ccccc6c5O)nc4c23)CO1 1251404 CONHYMLKGLOHFH-UHFFFAOYSA-N 402.479 4.716 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)c(C)c1 1263261 JSQHDZHIEOPAIM-UHFFFAOYSA-N 416.506 4.942 0 40 HJAB COc1ccc([C@H](CNC(=O)CCc2ccccc2)Cc2ccccc2)cc1OC 1443438 INNSDJMZTMNEQI-QHCPKHFHSA-N 403.522 4.779 0 40 HJAB CCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3ccc(OC)cc23)cc1 1772999 SHGOSNKKLRDTNB-UHFFFAOYSA-N 408.454 4.731 0 40 HJAB COc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1OC 2326642 SCPGPKPRZGXAIX-UHFFFAOYSA-N 409.829 4.813 0 40 HJAB CC(C)COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2621892 YXHFNKTXIQZVBM-AWEZNQCLSA-N 409.404 4.924 0 40 HJAB CCC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 2646039 FSHBLQFXHBYEKV-UHFFFAOYSA-N 402.422 4.699 0 40 HJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2Cl)N2C(=O)[C@H](C)SC2=N1 2701711 YQXRMLNCJYTHIF-ZUZCIYMTSA-N 413.326 4.594 0 40 HJAB O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cc2ccccc2o1 3533976 YVEWWRQEHCHCDI-UHFFFAOYSA-N 400.390 4.666 0 40 HJAB COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3cccs3)c3c([nH]c4ccccc34)[C@@H]21 4086675 MBTYOUHHAPXLTE-OYHNWAKOSA-N 416.502 4.937 0 40 HJAB biogenic Cc1ccc(C(C)C)c(OCC(=O)N2N=C(CCC(C)C)C[C@@]2(O)C(F)(F)F)c1 5024530 SSASADHSRNEJLS-HXUWFJFHSA-N 414.468 4.773 0 40 HJAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCCc4ccccc4F)c(C)c3cc12 5235692 LLMRPCHIOHDNJC-UHFFFAOYSA-N 421.468 4.895 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4cc(OC)ccc4o3)cc2)c1 6200117 JQSODJYMHUXHMC-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c1C 6543163 OGMLKRICTZTVDS-UHFFFAOYSA-N 403.554 4.786 0 40 HJAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(OCCC(C)C)cc3)CC2=O)cc1 6963009 SKHCENKOZXHOMB-SFHVURJKSA-N 410.514 4.502 0 40 HJAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1oc2ccccc2c1C 7405584 KNNCWAKYGBXJGP-UHFFFAOYSA-N 418.449 4.624 0 40 HJAB Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O 7928334 QLEUFTLUXYKJJS-ZDUSSCGKSA-N 410.823 4.967 0 40 HJAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCCc1nc2ccccc2s1 7988280 MVZADHAMFAYBPV-UHFFFAOYSA-N 410.499 4.701 0 40 HJAB Cc1cccc(NC(=O)Nc2nc(C)c(C(=O)NCc3ccc(Cl)cc3)s2)c1 8770949 NGVSEBYQEVTGKM-UHFFFAOYSA-N 414.918 4.987 0 40 HJAB COc1ccc(C(C)=O)cc1CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 9054605 DEOQKQXQROPCOR-DEOSSOPVSA-N 407.897 5.000 0 40 HJAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1cc2c(cc1Cl)OCO2 9235295 DOHQVMXRQPNNDB-NGYBGAFCSA-N 412.854 4.787 0 40 HJAB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)o1 9722952 VFTMLWNADYIIER-MFKMUULPSA-N 407.841 4.896 0 40 HJAB COc1cc(N[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)ccc1N1CCCC1=O 10184759 KTNCFWFDNJFJIN-LBPRGKRZSA-N 422.312 4.568 0 40 HJAB CCc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)cc1 10325223 FAMVKTDTZCMOBC-QGZVFWFLSA-N 420.534 4.641 0 40 HJAB CCCN1C(=O)N[C@@H](c2cccc(Cl)c2Cl)C(C(=O)Nc2cc(C)on2)=C1C 10355551 VBBMVDNFYRUEOV-KRWDZBQOSA-N 423.300 4.679 0 40 HJAB Cn1c(Cc2nc3c4c(sc3c(=O)[nH]2)C[C@@H](C(C)(C)C)CC4)nc2ccccc21 12535234 RXFBIFKEJHZJFO-ZDUSSCGKSA-N 406.555 4.613 0 40 HJAB CC(=O)c1ccc(N2CCN(Cn3c(=S)sc4ccccc43)CC2)c(F)c1 12543744 KYYRCLRXRFNHNH-UHFFFAOYSA-N 401.532 4.554 0 40 HJAB COc1ccc(/C=C/c2noc(C)c2NC(=O)CCCOc2ccc(OC)cc2)cc1 12789920 ZUUMEAANARGPJP-OVCLIPMQSA-N 422.481 4.968 0 40 HJAB Cc1cc(C)cc(N[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 13038425 VBVUVGORFXSTLM-MRXNPFEDSA-N 421.463 4.598 0 40 HJAB O=C(Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1)NCc1cccs1 13716609 MYUKMRPOJWCBTK-UHFFFAOYSA-N 418.440 4.878 0 40 HJAB CCOc1cc(CN[C@@H](C)c2ccccc2)ccc1Oc1nnnn1-c1ccccc1 13717710 KCTNGIUXNCOSGG-SFHVURJKSA-N 415.497 4.704 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(F)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 13787947 CGTHHUAWOJLGOO-NJDAHSKKSA-N 422.843 4.530 0 40 HJAB O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1ccc(Cl)cc1 14113869 QXLKSCMARUTIAL-MRXNPFEDSA-N 400.809 4.728 0 40 HJAB O[C@@H](COc1ccc(Cl)cc1Cl)Cn1c(-c2cscn2)nc2ccccc21 14287365 QYAMAZYSUHCXAD-CYBMUJFWSA-N 420.321 4.907 0 40 HJAB CC(C)c1cc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccc(O)cc32)cc(C(C)C)c1O 15414533 TXQSZBSNCHVKCA-LEWJYISDSA-N 408.498 4.514 0 40 HJAB COc1ccc(Cc2nc3ccccc3n2C[C@H](O)COc2ccc(C)c(C)c2)cc1 16903819 STTYFHVGTBTYHA-NRFANRHFSA-N 416.521 4.692 0 40 HJAB CCN1C(=O)COc2ccc(-c3csc(NC(=O)CCC4CCCCC4)n3)cc21 19796478 LWAZJYYLBDYOIG-UHFFFAOYSA-N 413.543 4.854 0 40 HJAB CCc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)cc1 20889178 OKQLNPQHCGHTAB-UHFFFAOYSA-N 420.534 4.561 0 40 HJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1nc2ccccc2s1 21055712 QBCVYSGBXWFZJC-UHFFFAOYSA-N 424.444 4.912 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)o2)c(OC)c1 21571212 SYGZNHGVCUCQDQ-UHFFFAOYSA-N 421.478 4.638 0 40 HJAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC(c2nc3ccccc3s2)CC1 24813242 VWIBRQZDWVVDLL-ZDUSSCGKSA-N 400.935 4.551 0 40 HJAB CCc1c(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cnn1-c1ccccn1 32815158 OQDXYLDECWHTIR-UHFFFAOYSA-N 414.465 4.883 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 33088694 UMLREWCDPGGBQY-UHFFFAOYSA-N 406.507 4.615 0 40 HJAB COC(=O)c1ccc(-c2nc3cc(C)ccn3c2Nc2cc(OC)ccc2OC)cc1 35616429 CMPXOXHWSXNNCQ-UHFFFAOYSA-N 417.465 4.857 0 40 HJAB CN(C)c1ccc(-c2nc3ncccn3c2Nc2ccc(Br)cc2)cc1 35616478 XZKSXCCIURIWKE-UHFFFAOYSA-N 408.303 4.968 0 40 HJAB COc1ccc(S(=O)(=O)N(Cc2cccc(Cl)c2)c2ccc(F)cc2)cc1 36247430 BAKSNJSAOXIMMY-UHFFFAOYSA-N 405.878 4.883 0 40 HJAB CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 40104773 DCEGIAAHRICZMN-KRWDZBQOSA-N 422.312 4.775 0 40 HJAB CC(=O)NCCCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1 40203911 SYBQHXNVHURUQQ-UHFFFAOYSA-N 401.510 4.727 0 40 HJAB Cc1cc(O[C@H](C)C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)ccc1C(C)C 48332326 IEPTUKGOJBDBEV-VGSWGCGISA-N 409.505 4.664 0 40 HJAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cccc2nc(C)ccc12 57312898 IZLVLNVYEUGXKT-UHFFFAOYSA-N 420.321 4.985 0 40 HJAB O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)Nc1ccc(Cl)cc1F 57486603 QYWLZGWOPWDUFX-UHFFFAOYSA-N 414.799 4.775 0 40 HJAB CC1=C2C[C@@H]3[C@@H](CN4CCN(c5cccc(C)c5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 61999301 XKIFUEUAUOHDBW-HLMLHLEXSA-N 408.586 4.575 0 40 HJAB biogenic CCOCCOc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)c1 67192461 DXMKTZHHSXNSSC-DEOSSOPVSA-N 405.494 4.630 0 40 HJAB COc1cccc([C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCC2)N2CCCC2)c1 72109453 IFIXSFJSLQAXNL-JOCHJYFZSA-N 412.961 4.724 0 40 HJAB Fc1ccccc1OCCc1cc([C@H]2CCCN2Cc2ccc3[nH]ccc3c2)n[nH]1 72378358 UPVFZBIJGZBFGI-HSZRJFAPSA-N 404.489 4.989 0 40 HJAB C[C@@H](c1ccccc1)N(CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccccc1 95945348 BPGMCSXZZIIYAQ-IBGZPJMESA-N 401.510 4.595 0 40 HJAB CCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccc(Cl)cc1)N2 101011994 CLTCQNINLCUGES-QGZVFWFLSA-N 414.296 4.989 0 40 HJAB CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@H]3C2=O)cc1 102761348 IDGCKJXQNAKQSW-TZRRMPRUSA-N 412.489 4.609 0 40 HJAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccc(C(C)C)cc1 105093550 YDBHMBZWYPEUFV-GOSISDBHSA-N 400.931 4.567 0 40 HJAB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 216408492 AWLHAIQWTBDMQH-OAQYLSRUSA-N 408.523 4.677 0 40 HJAB CN(c1cccc(C(=O)Nc2cccc3ccccc23)c1)S(=O)(=O)c1ccccc1 222527488 DNLUOXFYTRDFIN-UHFFFAOYSA-N 416.502 4.917 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Br)ccc3OC)N21 222668850 AMINKMHMRLYVKD-JEBQAFNWSA-N 418.360 4.832 0 40 HJAB CCOc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1COC(C)C 224720115 NWHHTLRWTSOATC-UHFFFAOYSA-N 416.949 4.626 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 225137376 WRYUPZDJIVBDHU-QZTJIDSGSA-N 400.950 4.605 0 40 HJAB O=C(COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1)N1CCCCC1 225533789 JONCRFWVLLHEBA-UHFFFAOYSA-N 420.553 4.919 0 40 HJAB Nc1nnc(/C=C/c2ccc(OCc3ccc(F)cc3Cl)c(Br)c2)o1 226338697 SKAOQNZEWXJCDT-QHHAFSJGSA-N 424.657 4.956 0 40 HJAB Cc1cccc(-c2ccc(CC3(C(N)=O)CCN(C(=O)C4CCCCC4)CC3)cc2)c1 257200605 AEAGHSBMQPDQME-UHFFFAOYSA-N 418.581 4.879 0 40 HJAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(-n5cccn5)cc4)OCC[C@@]31C2 257238366 HKQSEHKKBCAIIM-GNCQFOQZSA-N 407.558 4.671 0 40 HJAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 408566258 NJTSCYPBWDOFGX-IZLCOFNUSA-N 406.526 4.545 0 40 HJAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3cc(C)c(Br)cc3C)CC2=O)c1 408647904 WACNUNVJNHPBFM-INIZCTEOSA-N 415.331 4.674 0 40 HJAB Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)c1 408703864 URUKIYCZUBMBLR-UHFFFAOYSA-N 420.962 4.630 0 40 HJAB Cc1c(F)cccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 409002231 MMHSTCMWUQKBDP-FQEVSTJZSA-N 411.477 4.690 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O)Nc1ccccc1Cl 409253290 TWDAMBKRKDBVLC-KPKJPENVSA-N 413.307 4.730 0 40 HJAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@]2(CCCN2C[C@@H]2CCCO2)CC1 585100119 FZISPMPHDNIOLO-NVQXNPDNSA-N 423.601 4.517 0 40 HJAB CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 1541108350 PJINUEDWUHNVHW-WOJBJXKFSA-N 411.542 4.964 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc(C(C)(C)C)cc2)sc(C(C)=O)c1C 942395 UBNBSHNKBHUZMV-UHFFFAOYSA-N 417.527 4.751 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1ccncc1)N(C(=O)c1ccco1)c1ccc(Cl)cc1 1379989 UBVIUOIHXVFSOQ-OAQYLSRUSA-N 423.900 4.775 0 40 HJAB O=C1CS[C@@H](c2ccc(Br)cc2)c2c(O)nn(C3CCCCC3)c2N1 2363436 OGBXPHQLKDGBBV-INIZCTEOSA-N 422.348 4.631 0 40 HJAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC4CCCCC4)c3N2)cc1 3012823 INFKBITWMJUEPP-MSOLQXFVSA-N 406.452 4.914 0 40 HJAB COc1cc2c(cc1NC(=O)[C@H]1CC(=O)N(c3ccc(C)cc3)C1)oc1ccccc12 3372655 PLRDMGLGKNHWLT-INIZCTEOSA-N 414.461 4.895 0 40 HJAB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C)ccc1C 3481658 UHMPLZLZUSOVQL-UHFFFAOYSA-N 408.523 4.771 0 40 HJAB CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)cc1 4555376 CHDFRFJFQCCGKU-AREMUKBSSA-N 417.480 4.957 0 40 HJAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 4585810 SRCUCWBQILVJBR-UHFFFAOYSA-N 406.916 4.509 0 40 HJAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1cccc(Br)c1 4679244 ZBZCAKFATHRHDF-UHFFFAOYSA-N 404.283 4.710 0 40 HJAB CCN(CC)CCN(C(=O)c1ccccc1F)c1nc2c(OC)ccc(C)c2s1 5122184 BSGSTQGWCRPIFC-UHFFFAOYSA-N 415.534 4.741 0 40 HJAB CCOC(=O)c1sc(N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccco2)nc1C 6078855 MRUUMFOBEJYSLT-KRWDZBQOSA-N 411.483 4.586 0 40 HJAB O=C(NC[C@H]1CCCO1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 6112714 MZGIAKOIQVDMCU-CQSZACIVSA-N 405.885 4.945 0 40 HJAB biogenic O=C(NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccccc1F 6322844 SVFVAWYDWUMYCH-UHFFFAOYSA-N 400.287 4.869 0 40 HJAB Cc1ccc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)cc1Cl 6814476 JJQWOLVKLBJWAQ-UHFFFAOYSA-N 405.679 4.817 0 40 HJAB CCOc1ccc(-c2nc(CN3C(=O)N[C@](CC)(c4ccccc4)C3=O)cs2)cc1 7004061 XEDZUZFUCFZODJ-HSZRJFAPSA-N 421.522 4.566 0 40 HJAB CCOC(=O)c1sc(NC(=O)Cc2ccc(SC)cc2)nc1-c1ccccc1 7597690 BGQONHQQMPUWDP-UHFFFAOYSA-N 412.536 4.890 0 40 HJAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 7598226 DYBUAAUOAFLFLX-UHFFFAOYSA-N 406.913 4.925 0 40 HJAB CCOc1cc(/C=C/c2nc3cc(Cl)ccc3o2)ccc1O[C@@H](C)C(=O)N(C)C 8321254 RDQYYAQQRDYTSP-OIOXUXFSSA-N 414.889 4.906 0 40 HJAB Fc1ccc(COc2ccc(Br)cc2CNCc2cccnc2)cc1 8419373 ALTQFFQDNVELJV-UHFFFAOYSA-N 401.279 4.852 0 40 HJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc2cc(Cl)cnc2[nH]1 9591255 JIDMREORBJRBGS-SNVBAGLBSA-N 417.947 4.533 0 40 HJAB O=C1C(Cl)=C(Nc2cc(Cl)ccc2O)C(=O)N1c1cccc(C(F)(F)F)c1 11990255 MNHKTTYXMSKNEZ-UHFFFAOYSA-N 417.170 4.500 0 40 HJAB COc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(Cl)c3)c3ccccn23)cc1 12342119 ZKERTSLSRZBHPF-UHFFFAOYSA-N 419.868 4.667 0 40 HJAB Cc1csc(=O)n1CCCC(=O)Nc1cc(-c2ccccc2)nc2ccccc12 12590628 ZRMWFJRVHWQKJJ-UHFFFAOYSA-N 403.507 4.852 0 40 HJAB O=C(CCCSc1nc(-c2ccccc2)n[nH]1)c1ccc(Br)cc1 12619017 AHMJJOLPWQAZLJ-UHFFFAOYSA-N 402.317 4.989 0 40 HJAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1Cl 13062022 IEUVEOWSGZXWKG-INIZCTEOSA-N 407.297 4.540 0 40 HJAB CC[C@]1(c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CCC(=O)NC1=O 16611460 MQPALEZAIOPFTL-HXUWFJFHSA-N 420.296 4.722 0 40 HJAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1 19348959 SWDNPTPLKQAUPZ-SQJMNOBHSA-N 409.549 4.871 0 40 HJAB O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(c2ccccc2Cl)CC1 19909398 IWQJMRBOMOJZJC-QFIPXVFZSA-N 422.956 4.569 0 40 HJAB CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1cc(Cl)cc(Cl)c1 22273484 RBPDLPWRPTXCDH-UHFFFAOYSA-N 423.321 4.551 0 40 HJAB CC[C@H](C)c1ccc([C@H](NC(=O)CCc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 26391009 CKHUIVLMMMWKLF-BXKMTCNYSA-N 405.542 4.883 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1cc(=O)c2cc(Br)ccc2o1 27794589 KXAHTUYBUVPJHT-UHFFFAOYSA-N 412.161 4.827 0 40 HJAB Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccccc3)N3CCOCC3)sc2c1 28290145 RRMRJVANZCFWDW-SFHVURJKSA-N 414.958 4.666 0 40 HJAB O=C(c1ccc(OCC(F)(F)F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 32354442 XPSSJZKMPFVVRF-UHFFFAOYSA-N 403.404 4.524 0 40 HJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(-n2cnnc2)c1 32646822 KRWNIJQDUNVWSB-AWEZNQCLSA-N 418.419 4.817 0 40 HJAB COc1ccc(Br)cc1C(=O)CCC(=O)NC12CC3CC(CC(C3)C1)C2 33018874 NUHKTKPYXQFPQQ-UHFFFAOYSA-N 420.347 4.506 0 40 HJAB Cc1cc(F)ccc1NC(=O)CSc1ncnc2c(-c3ccc(F)cc3)c[nH]c12 33291880 UWXBWYCFUNNOTF-UHFFFAOYSA-N 410.449 4.942 0 40 HJAB O=C(Nc1cc(F)c(F)c(F)c1)[C@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 35684755 QXRQCXMJZSVENR-OAHLLOKOSA-N 420.778 4.792 0 40 HJAB O=S(=O)(Nc1cccc(OCc2ccccn2)c1)c1cc(Cl)ccc1Cl 36760510 OYJCGRGLXQIMBI-UHFFFAOYSA-N 409.294 4.768 0 40 HJAB Cc1cc2nc(CSc3ccc(NC(=O)c4ccc(F)c(C)c4)cc3)cc(=O)n2o1 41089744 OUCTWCGUMYFHRX-UHFFFAOYSA-N 423.469 4.588 0 40 HJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1C 44841542 NAYNYZGNQTVCMC-IBGZPJMESA-N 402.494 4.639 0 40 HJAB Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccc(F)cc3)CC1)CC(C)(C)O2 44855246 GLRHQTUKNROOSV-QFIPXVFZSA-N 410.533 4.765 0 40 HJAB Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)[C@@H](C)n2ccnc2)cc1C 44952569 PKPSVAMFLSGJIO-HXUWFJFHSA-N 413.525 4.572 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCOc1cccc(Cl)c1Cl 48332863 IGUGUTNYMMNVMU-UHFFFAOYSA-N 418.324 4.666 0 40 HJAB C[C@@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 57015939 KIHKEBIYSKTKBZ-XXBNENTESA-N 420.582 4.822 0 40 HJAB O=C(Nc1cc(NC(=O)N2CCO[C@H]3CCCC[C@@H]32)ccc1F)C1CCCCC1 58158841 ABISGOLJCRDKNP-PMACEKPBSA-N 403.498 4.520 0 40 HJAB CC(C)c1nc2cc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)ccc2o1 63911927 LKDSOQNLAVUTNL-UHFFFAOYSA-N 402.369 4.910 0 40 HJAB O=c1c2ccccc2c(-c2nc(-c3ccc(Cl)cc3)no2)nn1-c1ccccc1 64949550 ZBZFJWFBCPMZFT-UHFFFAOYSA-N 400.825 4.756 0 40 HJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)cc2F)nc1 67294314 VUQZEKOTRMKLKP-ROMGYVFFSA-N 407.376 4.605 0 40 HJAB Cc1cc(C)cc(C[C@H](C(=O)O)[C@H](C)C(=O)Nc2ccc(C)c(Br)c2)c1 71405986 CEMHFLMOVGIPSW-YJBOKZPZSA-N 418.331 4.892 0 40 HJAB CCOc1cc(C(=O)OC)cc(NC(=S)Nc2cccc(SC)c2)c1OCC 71761330 ZLQDYTFJGTYMLL-UHFFFAOYSA-N 420.556 4.801 0 40 HJAB COc1cccc(-c2nccc([C@H]3CCCN3C(=O)c3ccc4ncccc4c3)n2)c1 72354381 RMNOXDATKLGIAC-HSZRJFAPSA-N 410.477 4.678 0 40 HJAB Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCC[C@@H](C)C2)cc1 102894406 YVOANIYRTYKMGW-CRAIPNDOSA-N 408.527 4.886 0 40 HJAB C[C@H]1CCCCN1Cc1cccc(NC(=O)CN2CCC(c3ccccc3)CC2)c1 141570441 LXIZWAHJCZGRDN-NRFANRHFSA-N 405.586 4.879 0 40 HJAB Cc1cc(C)cc(N(CCCC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)c1 222565425 NPOVTYUEZUHBRV-UHFFFAOYSA-N 410.539 4.642 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccnc2)c1C 222954562 HHNUGKXEVQPUMA-YADHBBJMSA-N 405.571 4.657 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1Cc1ccccn1 223545136 DDLSSFSFAWCPLV-PKTZIBPZSA-N 417.582 4.956 0 40 HJAB CCc1ccccc1N(CC(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O 223630807 DPKNOXPFBDRCDH-UHFFFAOYSA-N 422.506 4.553 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1 223992482 SMSBWRVENBZZFH-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 224270440 BNFPDNZAOYBXHK-FQEVSTJZSA-N 418.990 4.766 0 40 HJAB COc1ccc(NC(=O)c2ccc(OC)c(COCc3ccccc3)c2)c(OC)c1 224352521 BQGSGEHFCGODLU-UHFFFAOYSA-N 407.466 4.682 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224686076 GLHGPASJIJZQGU-QFIPXVFZSA-N 400.950 4.800 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 224948044 IAVWXWSXHUYMLM-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 225133806 ZCNFVLSJAJXBBE-QFIPXVFZSA-N 412.599 4.729 0 40 HJAB O=C(O)c1ccc(/N=C2/S[C@H](Cc3ccccc3)C(=O)N2[C@@H]2C[C@H]3CC[C@H]2C3)cc1 245227530 IQRZUYROAKIOPI-NWEYEPFXSA-N 420.534 4.748 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H](C)c3ccccc3)CC2)on1 257338738 YYUAPBLPRRPGSO-YFVAEKQCSA-N 418.541 4.942 0 40 HJAB CCc1nc(S/C(=C\c2ccc(-c3cccc(Br)c3)o2)C(=O)O)n[nH]1 408630516 AWOUNXXOWVNOLX-ZROIWOOFSA-N 420.288 4.607 0 40 HJAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CSCN1C(=O)OCc1ccccc1 408736403 BQIVSCGLEWLLBM-HNNXBMFYSA-N 411.310 4.644 0 40 HJAB COc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(=O)c2ccco2)n1 575443692 ZGQCLVHKTVVVPE-UHFFFAOYSA-N 404.426 4.669 0 40 HJAB CC1(C)CC[C@@H](NC(=O)Cn2cc(C=O)c(-c3ccccc3)n2)[C@H](c2ccccc2)C1 1558059892 KLTXNQADPZGFGG-XZOQPEGZSA-N 415.537 4.841 0 40 HJAB O=C1N(c2cccnc2)c2ccc(NCc3ccc(F)c(F)c3)cc2C12CCOCC2 2055794320 HWTDFXRODGWENS-UHFFFAOYSA-N 421.447 4.698 0 40 HJAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccc(N(C)C)cc4)c23)C1 928931 ZBTBTOJYHMRYIM-ZDUSSCGKSA-N 412.584 4.613 0 40 HJAB COc1ccccc1NC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 1353033 SGCYGAOZOLRYCY-UHFFFAOYSA-N 405.498 4.822 0 40 HJAB CCOC(=O)c1cccc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)c1 2247383 RBTFIWCWCNFAKF-UHFFFAOYSA-N 412.424 4.952 0 40 HJAB Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c2ccccc2n1 2634801 LOVIHQYZOJFFKS-UHFFFAOYSA-N 415.415 4.651 0 40 HJAB COc1ccccc1Cn1cc(C(=O)c2ccc(Cl)cc2)c(=O)c2ccccc21 2692200 CFALXKUWVPMUKW-UHFFFAOYSA-N 403.865 4.943 0 40 HJAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1 2703764 PGBFPMUOAOLEOZ-HSZRJFAPSA-N 411.457 4.855 0 40 HJAB CN(C1CCCCC1)S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1F 3022341 NIOOKGGZBFJOHE-UHFFFAOYSA-N 424.925 4.685 0 40 HJAB CC(C)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 3350115 SCMIZJRYZWHALO-RUZDIDTESA-N 421.541 4.513 0 40 HJAB Cc1cccc(-c2nc(C)c(CCNS(=O)(=O)c3cc(C)c(C)cc3C)s2)c1 4392381 CPYVFAQTQOUEBE-UHFFFAOYSA-N 414.596 4.873 0 40 HJAB COc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2C(=O)C(C)C)cc1 4816866 KDKUVYKUYLWYEQ-WOJBJXKFSA-N 410.905 4.664 0 40 HJAB CCn1c(S[C@@H]2CCOC2=O)nnc1-c1cc(-c2ccccc2)nc2ccccc12 4876428 JMCAJORLBZODQS-HXUWFJFHSA-N 416.506 4.588 0 40 HJAB CSCC[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1nnc2ccccn12 5483908 MMUQQQWKGBQNDD-FQEVSTJZSA-N 418.522 4.746 0 40 HJAB S=C(Nc1ccccc1)N[C@@H]1SN=C(Nc2ccccc2)N1c1ccccc1 5593443 HPYLZMRLHJIJHW-NRFANRHFSA-N 405.552 4.893 0 40 HJAB Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1Cl 6146766 HRISNVFAFZIDDU-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc(Cl)cc1F 6387959 VGUUBGCZZFXQHB-UHFFFAOYSA-N 410.832 4.647 0 40 HJAB O=C(Cc1c(F)cccc1Cl)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6506876 CVHSCGZQRLYTET-NRFANRHFSA-N 407.876 4.998 0 40 HJAB CCOC(=O)NC(=O)CSc1nc(-c2ccc(C)c(C)c2)cn1-c1ccccc1 6566968 CCCUZMSQNUWEGV-UHFFFAOYSA-N 409.511 4.521 0 40 HJAB CCCCN(C)S(=O)(=O)c1ccc(NC(=S)Nc2ccc(C)c(C)c2)cc1 6831216 PQQROYCDXGHBLG-UHFFFAOYSA-N 405.589 4.533 0 40 HJAB C[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc(-c2ccccc2)cc1 8071320 HCVQSZUPSWQXTD-QGZVFWFLSA-N 406.555 4.641 0 40 HJAB CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)cc1OCC 8917250 ZCIULWKFYGGWPQ-JOCHJYFZSA-N 421.493 4.936 0 40 HJAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)C1 9071294 JOJPEVHSMWWANQ-WOJBJXKFSA-N 403.526 4.629 0 40 HJAB COc1ccc(CCC(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 9134928 FGNATUWEFVNMFR-UHFFFAOYSA-N 402.450 4.933 0 40 HJAB O=C(CSc1nnc(-c2ccccc2Br)o1)c1c[nH]c2ccccc12 9631796 FVPQFODFTYOLJV-UHFFFAOYSA-N 414.284 4.955 0 40 HJAB Cn1nc(C(=O)Nc2ccccc2SCc2ccsc2)c2ccccc2c1=O 9744495 SMAJHUHJLCPDCP-UHFFFAOYSA-N 407.520 4.540 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c(C)c1 9757883 GXRBYFXTZXFLBN-JOCHJYFZSA-N 413.949 4.996 0 40 HJAB CSc1cccc2sc(N3CCN(C(=O)Cc4ccc(Cl)s4)CC3)nc12 10061522 QKPHTBWEZMVDDD-UHFFFAOYSA-N 424.016 4.624 0 40 HJAB O=C(NC[C@H]1CCCO1)C1(Cc2ccccc2-c2coc3ccccc23)CCOCC1 12234939 HUSVQMCSJPHRSO-HXUWFJFHSA-N 419.521 4.734 0 40 HJAB CSc1ncc(C(=O)O[C@H](C)C(=O)c2cccc(Cl)c2)n1-c1ccc(F)cc1 12544483 KIDCHEJJCMMBGW-GFCCVEGCSA-N 418.877 4.815 0 40 HJAB Cc1nc(NC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)sc1-c1nccn1C(F)F 12578280 DOMRHIQUYZYDOW-GXSJLCMTSA-N 404.442 4.847 0 40 HJAB COc1ccc(OCc2nnc(SCc3csc(-c4ccccc4)n3)n2C)cc1 13845102 UECBWYOHQDJNRP-UHFFFAOYSA-N 424.551 4.819 0 40 HJAB COc1cc(NC(=O)CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1 15087129 MDGOPRZOAUUGCE-UHFFFAOYSA-N 422.325 4.792 0 40 HJAB COc1ccccc1N1C(=O)CN(c2cccc(C)c2C)C(=O)[C@@H]1c1ccc(C)cc1 15412849 YDZXJXDAJPDJBC-VWLOTQADSA-N 414.505 4.742 0 40 HJAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1ccc(Cl)cc1 17088680 PENVEOCDTXWLHI-UHFFFAOYSA-N 410.836 4.539 0 40 HJAB O=C(OCCCOc1ccc(F)cc1)c1nccnc1-c1nc2ccccc2s1 19352985 NQYQVPSOBONDDS-UHFFFAOYSA-N 409.442 4.518 0 40 HJAB O=C(CCc1nc2ccc(Cl)cc2[nH]1)NCCc1nc(-c2ccccc2)cs1 19374332 VVROCZSWGDUTSV-UHFFFAOYSA-N 410.930 4.631 0 40 HJAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3Cc3c[nH]nc3C(C)(C)C)cc2N1 19574853 HKTSLHKQSKOYDU-DAXOMENPSA-N 410.488 4.548 0 40 HJAB CCOc1ccc(-c2cc(C(=O)O)c3c(-c4ccc(CC)cc4)[nH]nc3n2)cc1OC 20492361 RQZFKYCNJYLDIB-UHFFFAOYSA-N 417.465 4.960 0 40 HJAB CC[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(OC)cc1 21837127 VXSTVOKSPRHOCG-MRXNPFEDSA-N 412.711 4.757 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1C 28206852 OVNGGRNWLFZLSZ-GOSISDBHSA-N 420.534 4.696 0 40 HJAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1C(=O)c1ccc(F)cc1 30479078 PHMXKIQNZDZLHN-UHFFFAOYSA-N 416.452 4.545 0 40 HJAB O=C(CCN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1Cl 32870826 FXFQYEQSGDBJFS-GOSISDBHSA-N 421.324 4.930 0 40 HJAB COc1ccc(-c2c[nH]c3c(SCC(=O)Nc4cccc(C)c4)ncnc23)cc1 33291873 SYZYIMBCXAJKND-UHFFFAOYSA-N 404.495 4.673 0 40 HJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccc(-n2cc[nH]c2=S)c1 40068545 YMJQIRUHOIVXKP-UHFFFAOYSA-N 417.416 4.542 0 40 HJAB O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)Nc1ccc(F)cc1 40142994 GWQNXCWNUQLPPK-UHFFFAOYSA-N 417.234 4.615 0 40 HJAB Cc1ccc(C)c(-n2ccnc2SCc2csc(CC(=O)OC(C)C)n2)c1 48354571 ABMRDZUNRNNMJA-UHFFFAOYSA-N 401.557 4.732 0 40 HJAB Cc1ccc(N2CCN(C(=O)c3cc(-c4cccc5ccccc45)[nH]n3)CC2)c(C)c1 57413427 AKTCRUIEJWGQDC-UHFFFAOYSA-N 410.521 4.809 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)c1 57426038 CRHRKOSWKXZXIR-UHFFFAOYSA-N 415.584 4.852 0 40 HJAB C[C@]1(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2F)CC1(Cl)Cl 58367904 WMLCTOIZUWIOSN-FXAWDEMLSA-N 421.299 4.696 0 40 HJAB O=[S@@](Cc1cc(Cl)c2c(c1)OCCCO2)Cc1ncc(-c2ccc(F)cc2)o1 95349211 GVVTZBUCSYLSDM-MUUNZHRXSA-N 421.877 4.744 0 40 HJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 95482279 ZBUPFOMLUDGOTJ-AWEZNQCLSA-N 419.934 4.884 0 40 HJAB O=C(NCc1ccncc1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96154467 IOFNFHWIOYHJOI-UHFFFAOYSA-N 412.474 4.943 0 40 HJAB COC(=O)CC1CCC2(CCOc3cc(C(=O)C(C)(C)Br)ccc32)CC1 219771644 DVYKJPMAOLPTEU-UHFFFAOYSA-N 423.347 4.816 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1cccc2ccccc12 222931826 JCOWMJFTJYEUCK-SFHVURJKSA-N 422.956 4.979 0 40 HJAB C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 222951692 HMDDSXAQCXTDQG-AWEZNQCLSA-N 408.361 4.509 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 223016214 OLYBKVGUAFKNQD-HXUWFJFHSA-N 418.990 4.684 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1ccccc1Cl 224419712 XGXHEBPJWVMVCN-MOSHPQCFSA-N 410.926 4.797 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 224552903 ZKRRPUDOSGZMSZ-HSZRJFAPSA-N 424.585 4.768 0 40 HJAB COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225023730 MOZMWMLAILAFKD-PKTZIBPZSA-N 418.566 4.796 0 40 HJAB CCn1c(=O)sc2cc(NC(=O)c3ccccc3OCc3ccccc3)ccc21 225102494 DINLGEICAFDDDA-UHFFFAOYSA-N 404.491 4.914 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 225156590 AOSVXLZHXZBWIA-INIZCTEOSA-N 421.368 4.870 0 40 HJAB COc1ccc2cc(S(=O)(=O)Nc3ccc(Cc4ccncc4)cc3)ccc2c1 225174763 WXUIVLGSEOIDHI-UHFFFAOYSA-N 404.491 4.635 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 225277573 JQOFAINVHNZQLS-OAQYLSRUSA-N 418.940 4.745 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 225556952 VSFDRCUCMVPQQR-KNQAVFIVSA-N 412.599 4.809 0 40 HJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)COc2ccccc2C)cc1Cl 225637860 KFVLFUGCDZJCAU-AWEZNQCLSA-N 406.935 4.579 0 40 HJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)c1ccccc1C 225755872 WKWAWGFAYCFYAP-LEYFIJQKSA-N 402.494 4.935 0 40 HJAB C[C@@H]1CCCN(c2cc(Cl)nc(NC(=S)NCc3ccc(Cl)cc3)n2)C1 225936034 PDYACOWAQOVZJD-GFCCVEGCSA-N 410.374 4.506 0 40 HJAB C[C@@H]1Cc2cc(CN3CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 253594241 SWRULZWHTDBBPH-FPGHNAPASA-N 421.585 4.521 0 40 HJAB COc1ccc(/C=C/C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 408714295 NHJYHKFOHCHJJD-OVCLIPMQSA-N 405.498 4.715 0 40 HJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1 409172124 IAWZEWDCGGNNJK-UHFFFAOYSA-N 424.566 4.986 0 40 HJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)ccc1C 409374503 RIMBPMYLRWNGKR-YBFXNURJSA-N 424.522 4.604 0 40 HJAB COc1cncc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)c2ccc(C)s2)c1 585105842 SRVLUOGUHFGLAF-UHFFFAOYSA-N 420.534 4.836 0 40 HJAB CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1sc2ccccc2c1Cl 1184873602 KKACNVJZVRBERG-UHFFFAOYSA-N 420.987 4.976 0 40 HJAB C=CC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c1 1542762025 AGBTZSIZHDAVPO-UHFFFAOYSA-N 403.507 4.688 0 40 HJAB COc1cccc(-n2nc3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3n2)c1 677318 OQEIKFUDFFKTLV-UHFFFAOYSA-N 416.481 4.716 0 40 HJAB Brc1ccc2nc(-n3nnc4ccccc43)nc(-c3ccccc3)c2c1 753979 DSPLMVUYTQAOJR-UHFFFAOYSA-N 402.255 4.793 0 40 HJAB O=C1c2cccc3cc(Br)cc(c23)C(=O)N1Nc1ccc(Cl)cc1 799548 IAVYTZRETJJDRP-UHFFFAOYSA-N 401.647 4.879 0 40 HJAB O=C(NCc1cccs1)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F 866038 BMVFJJVQORPHOM-CVEARBPZSA-N 424.423 4.674 0 40 HJAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCC(C)C)cc2c1 875385 CLQAOBNBIHXXHC-UHFFFAOYSA-N 407.583 4.678 0 40 HJAB CC[C@H](C)OC(=O)COc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 957132 UDWDISJOOGMWRO-ZDUSSCGKSA-N 402.830 4.959 0 40 HJAB CCOC(=O)c1c(NS(=O)(=O)c2c(C)cc(C)cc2C)sc2c1CCCC2 2727768 FQYIKJHQWOJIDU-UHFFFAOYSA-N 407.557 4.530 0 40 HJAB CCS(=O)(=O)c1ccc2oc(=S)n(CN(Cc3ccccc3)C(C)C)c2c1 3243589 RTZAASNDGBJFCQ-UHFFFAOYSA-N 404.557 4.625 0 40 HJAB CCOc1ccc([C@@H](CC(=O)O)NC(=O)C2c3ccccc3Oc3ccccc32)cc1 4581215 ZAHXGKQFRHRICV-HXUWFJFHSA-N 417.461 4.655 0 40 HJAB CCOC(=O)c1cc(NCc2ccc(Cl)c(Cl)c2)ccc1N1CCOCC1 4705483 MFUDXCQQTYPUTH-UHFFFAOYSA-N 409.313 4.619 0 40 HJAB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2cc(Cl)ccc21 4784321 OMBVPNSTMBFDQL-XMMPIXPASA-N 405.881 4.656 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 4816745 VEGAOXVSBYYXBE-PKTZIBPZSA-N 410.477 4.668 0 40 HJAB COc1ccc(C(=O)N2C(=S)C(c3ccc(C)cc3)=NC23CCCCC3)cc1OC 4891970 ICZJLTNZMQYIIW-UHFFFAOYSA-N 422.550 4.945 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@H]3C2=O)cc1 6142197 KCHGDRJDKWKBQG-AQNXPRMDSA-N 424.909 4.761 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)c1C 6451073 KRRAKAWEGZBFKO-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB COCCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nc2ccccc21 6610523 WDJPJJKNDJIIML-UHFFFAOYSA-N 400.891 4.678 0 40 HJAB Cc1nc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2s1 6832385 PMMKFRAOJVXOHP-HNNXBMFYSA-N 413.930 4.749 0 40 HJAB O=C(Nc1ccccc1-c1nc2ccccc2s1)[C@@H]1CC(=O)N(C2CCCC2)C1 7779099 ZHXCTASDSLIJKA-OAHLLOKOSA-N 405.523 4.693 0 40 HJAB O=C(c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1)N1CCCC1 8312823 YQWOYGWFASDKAN-UHFFFAOYSA-N 400.457 4.522 0 40 HJAB COc1ccc(-c2ccnc(SCC(=O)c3ccc(Br)cc3)n2)cc1 8684591 YWLVCZANHNKSDY-UHFFFAOYSA-N 415.312 4.890 0 40 HJAB Cc1ccccc1CSCCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 9063217 ZPKNVPXJPQCQQM-UHFFFAOYSA-N 417.018 4.910 0 40 HJAB C[C@H](c1nnc(SCc2cc(-c3ccco3)on2)n1-c1ccc(F)cc1)N(C)C 9365057 XNQBUORYGGBWCD-CYBMUJFWSA-N 413.478 4.569 0 40 HJAB CCn1c([C@@H](NC(=O)c2ccc(OC)c(OC)c2)c2ccccc2)nc2ccccc21 9449572 PYIOWXPMOSVERQ-QHCPKHFHSA-N 415.493 4.593 0 40 HJAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccc(OC[C@@H]2CCCO2)cc1 10277695 MPLDXGMRAVLFGY-INIZCTEOSA-N 416.449 4.898 0 40 HJAB Cc1cc(NC(=O)CCn2c(-c3cccs3)n[nH]c2=S)ccc1N1CCCC1 11326070 RGWKFSJCPNZLEK-UHFFFAOYSA-N 413.572 4.607 0 40 HJAB COc1ccc(C(=O)CSc2nc(CC(=O)Nc3ccccc3C)cs2)cc1 11695019 NZIBELOZRHBZSL-UHFFFAOYSA-N 412.536 4.616 0 40 HJAB O=C(N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(F)cc2)C1)C1CCCC1 12408178 BJZPMXNUCFTXNP-AZUAARDMSA-N 401.551 4.542 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(S(C)(=O)=O)c4)cc3)sc2c1 15603551 NENWVTSNXIPQQN-UHFFFAOYSA-N 422.531 4.928 0 40 HJAB Cn1cc(-c2cc(C(=O)N(Cc3ccccn3)C3CCCC3)c3ccccc3n2)cn1 19290734 HFHAOMKXEPXWRG-UHFFFAOYSA-N 411.509 4.615 0 40 HJAB COc1ccc(NC(=O)c2cnc(C3CCN(CC4CCCCC4)CC3)nc2C)cc1 19763835 RFBOYHZKFDEERK-UHFFFAOYSA-N 422.573 4.806 0 40 HJAB CCC(C)(C)n1nnnc1[C@H](c1cccs1)N1CC=C(c2ccc(F)cc2)CC1 20098392 HFGUZPUSTSLYOX-FQEVSTJZSA-N 411.550 4.898 0 40 HJAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 20610413 IGDNPRKJASCWNT-OAHLLOKOSA-N 404.445 4.989 0 40 HJAB CCCCN1C(=O)c2ccc(C(=O)OCc3csc(-c4ccccc4)n3)cc2C1=O 25424848 XJEZCATZUPHBRQ-UHFFFAOYSA-N 420.490 4.563 0 40 HJAB COCCn1c(SCCCc2nc(-c3cccs3)no2)nc2ccccc21 27198220 OQDRKYREBKHFRC-UHFFFAOYSA-N 400.529 4.519 0 40 HJAB Cn1c(Cl)cnc1CN1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 27903905 WNNZRLCXCZZDNS-UHFFFAOYSA-N 421.397 4.773 0 40 HJAB COc1ccc(Br)cc1CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 28925259 VEWRIBHYTRHXAB-CYBMUJFWSA-N 403.320 4.657 0 40 HJAB COc1cccc(C(=O)Nc2nc(C)c(-c3nc(-c4ccc(F)cc4)no3)s2)c1 31812687 SLRWLCMUYCLXFY-UHFFFAOYSA-N 410.430 4.569 0 40 HJAB CC(C)[C@H](C)NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 32957623 JRATXGGHWOXHFI-NSHDSACASA-N 402.010 4.737 0 40 HJAB CCOc1ccccc1NC(=O)COc1cccc(-c2nc(-c3ccccc3)no2)c1 33012325 VLTAEPSIRIHCLB-UHFFFAOYSA-N 415.449 4.820 0 40 HJAB COc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2cccc(F)c2)n1 33325077 HHTVZACXIPYCGT-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB COCc1nn2c3c(c(-c4ccco4)nc2c1-c1ccc(OC)cc1)C[C@H](C)CC3 35326078 WWUDCKUTFDTDMB-OAHLLOKOSA-N 403.482 4.936 0 40 HJAB CCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 39760989 ZVBMHGUSDRDKKD-UHFFFAOYSA-N 414.977 4.700 0 40 HJAB Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)oc2c1C(=O)CCC2 40131766 CYBULPYEGUZNPY-UHFFFAOYSA-N 403.360 4.564 0 40 HJAB O=C(Nc1ccccc1Cn1cncn1)c1cc(-c2ccccc2)nc2ccccc12 40156984 LFOPWJIYDBBCIU-UHFFFAOYSA-N 405.461 4.794 0 40 HJAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1occc1-c1ccccc1 45861698 UWTKEDNDMFEZQB-UHFFFAOYSA-N 405.479 4.645 0 40 HJAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)c1 72358963 RGSNUISKWKEBCI-HXUWFJFHSA-N 410.521 4.882 0 40 HJAB Cc1nc([C@@H]2CCCN2Cc2ccccc2F)nc2c1CCCN2Cc1ccccn1 72373836 GRZLWKHRQKMESA-QHCPKHFHSA-N 417.532 4.609 0 40 HJAB O=C(CCc1ccccc1Br)NCc1cccc(Oc2ccccn2)c1 96122531 SDFCNJUAURTXCG-UHFFFAOYSA-N 411.299 4.885 0 40 HJAB Cc1cc(F)cc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 98072703 CXFOTPRNECCVSI-UHFFFAOYSA-N 412.202 4.716 0 40 HJAB CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 103192909 HGZLQJBKHRHJMS-SOLBZPMBSA-N 406.452 4.948 0 40 HJAB Cc1ccccc1CN(C(=O)COc1ccccc1C(C)C)[C@H](C)C(=O)NC(C)(C)C 222709922 JDROSZUKYUCLJO-HXUWFJFHSA-N 424.585 4.829 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCN1CCCc2ccccc21 223036270 XHJMKNUJIYDYEC-QFIPXVFZSA-N 400.950 4.765 0 40 HJAB Cc1cccc(CN(C(=O)CSc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 223792704 GWQIGUHSFDUBBO-LJQANCHMSA-N 410.583 4.563 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 223924740 INCPTBFZIFOCTH-GOSISDBHSA-N 408.523 4.595 0 40 HJAB COc1ccc2cc(S(=O)(=O)NCCCc3ccc(OC(C)C)cc3)ccc2c1 224529711 IVYLXLXSVDCLKF-UHFFFAOYSA-N 413.539 4.547 0 40 HJAB CCOc1ccc(S(=O)(=O)N(CC)c2cc(C(F)(F)F)ccc2Cl)cc1 224599833 UHTZTXQVMXUGGU-UHFFFAOYSA-N 407.841 4.973 0 40 HJAB Cc1cc(O[C@H](C)C(=O)NCc2cccc(CN3CCCCC3)c2)ccc1Cl 224696819 SYCLUJWEDYBRHQ-GOSISDBHSA-N 400.950 4.718 0 40 HJAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1ccc(F)cc1F 224877255 AVPFUTJKJXXZIH-UHFFFAOYSA-N 407.214 4.954 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 225585098 HYZSTFPQZZGDFW-GCJKJVERSA-N 414.977 4.913 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](CC)c2ccc(OC)c(OC)c2)c1 225720291 FQANFIHKUQFZHV-QGZVFWFLSA-N 416.543 4.627 0 40 HJAB O=C(O)c1ccc(-c2ccc(Cl)cc2NC(=S)NC(=O)C2CCCCC2)o1 226351799 LRGPNJQLNDIWFZ-UHFFFAOYSA-N 406.891 4.692 0 40 HJAB CCn1ncc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)c1C 253370744 VKRFPVDWWWRUGS-DSKXTWGNSA-N 410.602 4.889 0 40 HJAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1cc(OC)cc(OC)c1 408561750 KWTMNGXYGBVUGH-VHXPQNKSSA-N 410.539 4.920 0 40 HJAB COc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(C)cc2C)n1 408698568 OCZQABQLGIQAPP-UHFFFAOYSA-N 416.456 4.951 0 40 HJAB CCOC(=O)C1=C(C)N=C2SC=C(CC)N2[C@H]1c1cccc(Br)c1 408994031 YCNUPQVJVYRALN-INIZCTEOSA-N 407.333 4.997 0 40 HJAB O=C1C[C@@H]2CCN(Cc3cc(-c4ccccc4)no3)C[C@@H]2CCOc2ccccc2N1 1534646415 KHFBZGZRPCWRDV-PMACEKPBSA-N 417.509 4.591 0 40 HJAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 847239 BEDYOAPLRDMXJP-QHCPKHFHSA-N 420.509 4.769 0 40 HJAB Cc1ccc2cc(C)c3nnc(SCC(=O)N4c5ccccc5C[C@H]4C)n3c2c1 903092 DBLCTEPXZSYPCE-MRXNPFEDSA-N 402.523 4.569 0 40 HJAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)N4c5ccccc5C[C@H]4C)c23)C1 928907 WZRDAQITYDSONV-UONOGXRCSA-N 409.580 4.886 0 40 HJAB O=C(CSc1nnc(-c2cccc3ccccc23)o1)Nc1cccc2nsnc12 1018826 YHDALJNAHBUQPW-UHFFFAOYSA-N 419.491 4.625 0 40 HJAB Cc1sc2nc(C3CC3)nc(SCC(=O)Nc3ccc(N(C)C)cc3)c2c1C 1377449 GNJCMDVHXMRZAG-UHFFFAOYSA-N 412.584 4.982 0 40 HJAB CC(C)N(C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1 2649344 STILHDSDMPEGJL-UHFFFAOYSA-N 403.478 4.864 0 40 HJAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(NCCCOC)ncnc32)cc1 2715200 LHOAASQYUCKQRV-UHFFFAOYSA-N 402.498 4.935 0 40 HJAB COc1ccc(-c2nsc(SCC(=O)Nc3cc(Cl)ccc3OC)n2)cc1 3007372 UXPKPUBCPHVNMN-UHFFFAOYSA-N 421.931 4.607 0 40 HJAB Cc1cc(NC(=O)c2cc(F)c(F)cc2Cl)n(-c2nc3ccccc3s2)n1 3209976 FDNHSOXFMVCTNA-UHFFFAOYSA-N 404.829 4.974 0 40 HJAB O=C(OCCOc1ccc(Br)cc1)c1ccc(OC(F)(F)F)cc1 3362797 LWCXGPQMUORDNR-UHFFFAOYSA-N 405.166 4.584 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)OCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)c1C 3426160 XCUFAPSFBVJYDC-DEOSSOPVSA-N 423.440 4.938 0 40 HJAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1coc2ccccc2c1=O 4194621 YAZZNHIIUYWCJZ-UHFFFAOYSA-N 405.460 4.779 0 40 HJAB CCOc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1Cl 4501723 PLTNHPNGRUIRJB-UHFFFAOYSA-N 414.845 4.845 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc3c(s2)CCCCC3)c1C 4767970 BTSMNIBFHVUYMN-AWEZNQCLSA-N 417.527 4.567 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 6079420 JIPMKNDAFLRRNB-UHFFFAOYSA-N 405.679 4.817 0 40 HJAB O=S(=O)(c1ccccc1)c1nc(/C=C/c2ccccc2)oc1NCc1cccnc1 6672061 CMEZPJBUFKPLII-BUHFOSPRSA-N 417.490 4.685 0 40 HJAB COCc1c(C(=O)OCc2cc(C(C)=O)ccc2OC)sc2cccc(F)c12 6850903 LCRMGZQUQRYVKX-UHFFFAOYSA-N 402.443 4.755 0 40 HJAB CCOc1ccc(N(CC(=O)c2ccc3c(c2)OCCO3)C2=NCCCCC2)cc1 6870375 FUZQZBWWEHAHGZ-UHFFFAOYSA-N 408.498 4.518 0 40 HJAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1ccc(F)cc1 7544731 QKLYTKKUKAMGEI-KRWDZBQOSA-N 403.432 4.883 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3c(C)cc(C)cc3C)c2)cc1 7651845 SKUCQPSSQTUKBY-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB CCCCc1ccc(NC(=O)COc2ncnc3ccc(Br)cc23)cc1 7653465 VHMCJBMVZXCOAN-UHFFFAOYSA-N 414.303 4.752 0 40 HJAB COc1cccc(NCc2nnc(SC[C@@H]3CCCO3)n2C2CCCCC2)c1 8193260 UIYHGQKIPQJEBB-IBGZPJMESA-N 402.564 4.675 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1F)c1cccc(Cl)c1 8810215 JJQGVYAQKNNUCD-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4cccc(Cl)c4)c(=O)c23)s1 9464540 YFYQTYBVMLVNHF-UHFFFAOYSA-N 415.927 4.787 0 40 HJAB Cc1csc(SCc2cc(=O)c(OC(=O)c3c(F)cccc3Cl)co2)n1 9739641 BCZUMISOTLVYRI-UHFFFAOYSA-N 411.863 4.709 0 40 HJAB COc1cccc(OCC(=O)Nc2nc(CSCc3ccc(F)cc3)cs2)c1 11027717 RVGOXXLIPAPIQR-UHFFFAOYSA-N 418.515 4.742 0 40 HJAB COc1cc(OC)c(C2=CCN(C(=O)c3cc4ccccc4cc3O)CC2)c(OC)c1 11918510 NBYIPDKRFRHBFC-UHFFFAOYSA-N 419.477 4.501 0 40 HJAB CC(C)Cn1nc([C@@H](Cc2ccccc2)NC(=O)c2ccccc2F)c2cccnc21 12236280 ZXIXTLOMIXMDJG-JOCHJYFZSA-N 416.500 4.940 0 40 HJAB COc1ccccc1C1=NN(C(=O)c2cccs2)[C@H](c2ccc3nccnc3c2)C1 12420785 ZAPAIEKHGTVQMG-FQEVSTJZSA-N 414.490 4.691 0 40 HJAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 12461623 IIJPPWDSTOPUEI-UHFFFAOYSA-N 400.507 4.974 0 40 HJAB CCN(C(=O)CSc1nnc(Cc2cccs2)n1C1CC1)C1CCCCC1 12861998 HKMZMPCHKCKAQT-UHFFFAOYSA-N 404.605 4.539 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)c(C)c1 13009868 FTTRXMLAXNBTBX-UHFFFAOYSA-N 412.497 4.892 0 40 HJAB CN(C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 13668798 RVUAAWTXMBSADZ-DEOSSOPVSA-N 402.519 4.737 0 40 HJAB CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@H]2ON1c1ccccc1 13752127 QGBCDYBRZMPPGI-AWDZXFJFSA-N 406.526 4.890 0 40 HJAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)cc1 13871299 QKRMNVFJGUKWRQ-QGZVFWFLSA-N 424.570 4.865 0 40 HJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c3ccccc3n2)cc1 14784729 QFVILGNTVSUIKA-UHFFFAOYSA-N 416.502 4.866 0 40 HJAB O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cc1ccc(F)cc1Cl 15910594 JVDHRAJBUCQFNQ-UHFFFAOYSA-N 422.887 4.755 0 40 HJAB CC(=O)N(c1nc(/C=C/C(=O)NC2CCC(C)CC2)cs1)c1ccccc1F 15949315 LJXKWGRMXFMMCD-VAWYXSNFSA-N 401.507 4.675 0 40 HJAB COc1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1Cc1ccccc1 16274115 KZXCCHLHHZYCRH-QFIPXVFZSA-N 418.518 4.728 0 40 HJAB Cc1cc(NC(=O)[C@@H](OC(=O)Cc2cccc3ccccc23)c2ccccc2)no1 16743048 LVYFVWXFLINCHQ-QHCPKHFHSA-N 400.434 4.602 0 40 HJAB CCN(CC)Cc1ccccc1CNC(=O)c1ccc(OCc2csc(C)n2)cc1 16784190 KLAGTPHOEFJBQA-UHFFFAOYSA-N 423.582 4.802 0 40 HJAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)ccc1F 17011194 GEHNQEBHRFROKO-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB CCc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 17090078 BFHNRIKVGTXGMW-HNNXBMFYSA-N 414.571 4.578 0 40 HJAB Cc1cccc(CC(=O)N2CCC(c3nnc(-c4nccc5ccccc45)o3)CC2)c1 19234653 HTIIBFJTOPBUIH-UHFFFAOYSA-N 412.493 4.542 0 40 HJAB Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN2Cc2c(C)[nH]c3ccc(F)cc23)n1 19690966 FZDWAVUWWJSURD-HSZRJFAPSA-N 416.504 4.695 0 40 HJAB O=C(Nc1ccccc1OCc1ccccn1)c1cnn2c(-c3ccccc3)ccnc12 19716845 JTTJIZFGEUDBFY-UHFFFAOYSA-N 421.460 4.623 0 40 HJAB O=C(Nc1nccs1)c1cc([C@H]2CN(C3CCCCC3)CCO2)nc2ccccc12 19754435 ZCPZNILGWOHXBI-OAQYLSRUSA-N 422.554 4.650 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3ccccc3OC)nnc2c1-c1ccc(Cl)cc1 20672699 ZKWGBVAULXCJQI-UHFFFAOYSA-N 421.888 4.576 0 40 HJAB O=C(Nc1cccc2cnccc12)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 21218898 NOOKXCKIIDSULI-FQEVSTJZSA-N 409.489 4.879 0 40 HJAB CCCc1nc2ccc(NS(=O)(=O)c3ccc(NC(=O)OCC)cc3)cc2s1 22255169 BMXRTUWMFAWXEZ-UHFFFAOYSA-N 419.528 4.618 0 40 HJAB Cc1ccc(C)c(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)n2)c1 24835691 WDEYFKUERDQOQG-INIZCTEOSA-N 409.511 4.511 0 40 HJAB CC(C)c1noc([C@@H](C)Sc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)n1 24835736 CUBKSFAZSFMWOV-CYBMUJFWSA-N 418.954 4.881 0 40 HJAB CN(Cc1c(F)cccc1Cl)C(=O)CSc1nccn1-c1cccc(F)c1 24868188 NEWSXFHTMOUBNW-UHFFFAOYSA-N 407.873 4.555 0 40 HJAB COc1ccc(C2=N[C@@H](c3ccc(OC)c(OC)c3)N3[C@@H](c4ccccc4)[C@H]23)cc1 25504074 YTMXFEJNAOYJAH-BJYSZKJRSA-N 400.478 4.639 0 40 HJAB Cc1sc2nc(CN3CCOCC3)nc(N[C@@H]3CCCc4ccccc43)c2c1C 25784310 DNHOPOXEEKTMJK-LJQANCHMSA-N 408.571 4.630 0 40 HJAB O=C(CCN1CCCN(Cc2ccc(F)cc2)CC1)Nc1c(Cl)cccc1Cl 25934794 JJISFJGQVIPGMH-UHFFFAOYSA-N 424.347 4.669 0 40 HJAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(SC3CCCC3)cc2)c1 30182164 IDPADPFDGVKFOG-UHFFFAOYSA-N 404.557 4.735 0 40 HJAB C[C@@]1(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)Cc2ccccc2C(=O)O1 32675431 YMKFUYCWQMZJFL-CUNXSJBXSA-N 424.500 4.588 0 40 HJAB Cc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1NC(=O)c1ccco1 32892970 AEKDUAAUCYRWNM-UHFFFAOYSA-N 404.466 4.566 0 40 HJAB CC(=O)Nc1cccc([C@H](C)N(CC(=O)N[C@@H]2CCCC[C@@H]2C)Cc2ccccc2)c1 32909359 WWJSHHNOZQNMMT-ZYLNGJIFSA-N 421.585 4.903 0 40 HJAB CN1C[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 35420689 ASQFCOLZFPITDH-QNIAMRLHSA-N 416.908 4.716 0 40 HJAB CN(C)c1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cn1 36395025 OBXOKKYINQAZSZ-UHFFFAOYSA-N 404.495 4.833 0 40 HJAB Cc1ccnc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)c1 40143953 MMLJTSIQAHBJOO-UHFFFAOYSA-N 402.223 4.731 0 40 HJAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1ccccc1C(F)(F)F 49030357 BBICISZGIYYJBF-HNNXBMFYSA-N 418.415 4.735 0 40 HJAB COc1ccc(-c2nc(CSCC(=O)N(C)C3CCCCC3)cs2)cc1OC 58009953 SXUXBBHTAVYZCO-UHFFFAOYSA-N 420.600 4.852 0 40 HJAB CC1CCN(C[C@@H]2CCCN(C(=O)Nc3nnc(C4CCCCC4)s3)C2)CC1 58191940 WCVUWGJGXGDXEX-KRWDZBQOSA-N 405.612 4.562 0 40 HJAB CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C(C)(C)C)CC1 72345204 ZMDPPGYCIRIKAY-UHFFFAOYSA-N 424.560 4.826 0 40 HJAB CCc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 95749018 GMPZEBLFFWXVTL-XMMPIXPASA-N 415.489 4.783 0 40 HJAB O=C(O)c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 95997728 DUVYQCDQEDETNK-UHFFFAOYSA-N 401.441 4.666 0 40 HJAB Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn34)n2)cn1 96038139 UYTOQAOLDBUEKK-UHFFFAOYSA-N 411.440 4.887 0 40 HJAB COC(=O)c1c(C)[nH]c(-c2ccccc2OC)c1[C@H]1C(=O)Nc2c(Cl)cccc21 101626054 LAOZCKPHOFCENS-KRWDZBQOSA-N 410.857 4.523 0 40 HJAB COc1ccc(CN2CCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1OCc1ccccc1 102957393 ZZVRTZNHXPQCIY-ZKMPZPQNSA-N 418.581 4.604 0 40 HJAB Cc1cccc(CN(C(=O)Cc2c(F)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 222747389 KREWZRYOFUYLJT-MRXNPFEDSA-N 418.940 4.662 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1Cc1ccco1 223331571 KAWGUNJNCRBCFQ-CVEARBPZSA-N 420.357 4.671 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 223685679 DVUUUATWWXFQBY-QGZVFWFLSA-N 418.990 4.684 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CSc1ccccc1 224155894 JSVUGOUUYAHRLL-QHCPKHFHSA-N 424.610 4.953 0 40 HJAB Cc1ccc(OCCCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224162692 DQDAXFHTWRNXOI-QFIPXVFZSA-N 424.585 4.652 0 40 HJAB COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225023693 MOZMWMLAILAFKD-DHIUTWEWSA-N 418.566 4.796 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225101868 ASQOTBWZCWNZIN-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB O=C(c1ccccc1Cl)N1CCS/C1=C/c1nc(-c2ccccc2F)no1 225243239 UGBJLKFVXJWSCA-GZTJUZNOSA-N 401.850 4.717 0 40 HJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CC 225431649 IQXOKHLRHWSONT-OAQYLSRUSA-N 400.950 4.606 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 225573822 FKYWXYBRTJVDSP-ZJSXRUAMSA-N 424.585 4.713 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 225575117 YBIUSEJAJIKAHO-ZJSXRUAMSA-N 408.586 4.876 0 40 HJAB CO[C@@]1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCC[C@@H](C)C1 225636567 NHAICCMXTWFFBM-YKSBVNFPSA-N 402.579 4.721 0 40 HJAB Cc1cccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)C)c1 225650556 MPQJEDNEVKYURM-INIZCTEOSA-N 421.368 4.786 0 40 HJAB COc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)cc1C(F)(F)F 225954376 PPCGUGJHQJFPCO-UHFFFAOYSA-N 413.367 4.544 0 40 HJAB Cc1c(Br)cc(C(=O)Nc2cccc([C@H](C)O)c2)cc1Br 226274314 XLOLIILAWRPVRH-JTQLQIEISA-N 413.109 4.826 0 40 HJAB O=C(CN1CCCCCC1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257341748 ZLUZWCZNQIWZFY-LJQANCHMSA-N 415.965 4.501 0 40 HJAB Cc1ccc(N=c2nc(-c3ccccc3)n(CS(=O)(=O)c3ccccc3)s2)cc1 334158667 DPRNKIHTFXANSQ-UHFFFAOYSA-N 421.547 4.584 0 40 HJAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 408562152 NKTOVSAETSJKSM-UHFFFAOYSA-N 416.330 4.668 0 40 HJAB COc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)cc1 409161061 VVJIVTYADNQMFC-UHFFFAOYSA-N 413.499 4.511 0 40 HJAB O=C(CSCc1ccccc1Cl)N1N=C2CCCCC[C@H]2[C@]1(O)C(F)(F)F 409178215 JVGHQJMRBYGAPW-DYVFJYSZSA-N 420.884 4.603 0 40 HJAB CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1O 409412015 PQNKVAJNPXKROM-UHFFFAOYSA-N 423.325 4.708 0 40 HJAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CCCC(=O)O)CCCCCO2 643581403 PVFNPRDXDKCJAW-UHFFFAOYSA-N 409.526 4.732 0 40 HJAB CCOC(=O)c1c(NC(=O)/C=C/c2cnn(CC)c2C)sc2c1CC[C@H](CC)C2 657240 KLWVXDLTGDOYRW-GDXASINISA-N 415.559 4.616 0 40 HJAB CC[C@H]1CCCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 844962 JNLUVOJDNXCEGW-HNNXBMFYSA-N 420.410 4.959 0 40 HJAB Cc1c(Cl)cccc1NC(=O)C[C@@H](Cc1ccc(Br)cc1)C(=O)O 864894 JABSKKCKHRXDTG-CYBMUJFWSA-N 410.695 4.683 0 40 HJAB Cc1cc(OCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)ccc1Cl 917751 QXEDISCADFEBNB-UHFFFAOYSA-N 400.887 4.980 0 40 HJAB COCc1cc(C)nc2sc(C(=O)c3ccccc3)c(NC(=O)c3ccco3)c12 1026896 LILXUWUYDHJQJS-UHFFFAOYSA-N 406.463 4.827 0 40 HJAB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc4ccccc4c3)C[C@H]21 1297299 SXNQYGOFUPYBQF-HSZRJFAPSA-N 413.521 4.814 0 40 HJAB Nc1c(Cl)cc(Cl)cc1C(=O)OCCOc1ccc(Br)cc1 2635142 TVJGEXVUOVAVBW-UHFFFAOYSA-N 405.075 4.574 0 40 HJAB COc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 2652599 VZINCOXFZPKYCT-QFIPXVFZSA-N 413.521 4.804 0 40 HJAB COc1cc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OC(F)F 3291643 KOMFRQSYIXPRSD-AWNIVKPZSA-N 414.191 4.948 0 40 HJAB CCOc1ccc(-c2nc3scc(-c4ccc(OC)cc4)c3c(=O)[nH]2)cc1OC 3331403 MMCLYZFWKDVWRX-UHFFFAOYSA-N 408.479 4.735 0 40 HJAB O=C(/C=C/c1cccs1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 3423146 DNXWZGHOLHSGPO-FMIVXFBMSA-N 418.927 4.854 0 40 HJAB Cc1sc2ncnc(N3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)c2c1C 3433337 XDZMACFDTVKIMD-HXUWFJFHSA-N 420.582 4.718 0 40 HJAB O=C(CSc1nnc(NC(=O)c2ccc3ccccc3c2)s1)c1ccccc1 4079392 POYYLWFQNMARLK-UHFFFAOYSA-N 405.504 4.919 0 40 HJAB COc1ccccc1-n1ccnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 4248666 BMDQFEQWNHFRFV-UHFFFAOYSA-N 407.417 4.631 0 40 HJAB O=c1c2cnn(-c3cccc(Cl)c3)c2ncn1Cc1ccc(Cl)c(Cl)c1 4479169 DAGBMXYLLZMASE-UHFFFAOYSA-N 405.672 4.591 0 40 HJAB CCOc1ccc([C@@H](CCc2ccccc2)NC(=O)c2cccnc2)cc1OCC 4656343 KDPRYRWYAYSOLS-JOCHJYFZSA-N 404.510 4.983 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)COCC(=O)Nc3ccc(C)cc3)ccc21 4676888 ZOOXWFKZPYBZOR-UHFFFAOYSA-N 415.493 4.717 0 40 HJAB Cc1nc2ccccc2n1C[C@H](O)COc1ccc2cc(Br)ccc2c1 4677971 KNSZPLMQVDISBW-SFHVURJKSA-N 411.299 4.700 0 40 HJAB COCCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 4783276 PXQAWSFEIMFMSH-UHFFFAOYSA-N 420.534 4.607 0 40 HJAB CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccoc1C 4860743 JGWBTLYLBVUYLH-UHFFFAOYSA-N 410.421 4.616 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccc(F)cc1 5100418 DRFKJZHYUQLWHT-UHFFFAOYSA-N 414.487 4.518 0 40 HJAB CC(C)CCn1c(SCC(=O)Nc2ccccc2Cl)nc2ccccc2c1=O 5491962 FFXUDLXRODCFDM-UHFFFAOYSA-N 415.946 4.827 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(F)c(F)c(F)c2F)sc2c1CCCC2 5506073 PVPZFGUWRRMUSU-UHFFFAOYSA-N 401.381 4.612 0 40 HJAB O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccco1 6226110 WFVIKSMBUFYUAP-UHFFFAOYSA-N 411.266 4.640 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)cc1 6426807 LBDHQFLEEOOMKM-UHFFFAOYSA-N 405.479 4.841 0 40 HJAB CSc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 6584900 GBAWXJLQOFQCDV-NYYWCZLTSA-N 411.401 4.502 0 40 HJAB Cc1cc2oc(=O)cc(C)c2cc1O[C@@H](C)C(=O)Nc1ccc(Br)cc1 6922350 CJDZPHZDIOAGFL-ZDUSSCGKSA-N 416.271 4.578 0 40 HJAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N[C@H]1CCCc2ccccc21 8862143 DZGMIAPTNDXKTN-IBGZPJMESA-N 424.595 4.551 0 40 HJAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1csc(-c2ccc(Cl)cc2)n1 9253010 VGHPSWMRRCNGEY-UHFFFAOYSA-N 421.927 4.532 0 40 HJAB CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)cc3)c3ccccn23)cc1 9316532 XTMPZOBTXJXXSC-UHFFFAOYSA-N 413.477 4.712 0 40 HJAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N4CCc5ccccc54)cc3)ccc12 9387085 CKFRPNOTPMITRL-UHFFFAOYSA-N 411.457 4.883 0 40 HJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(I)c1 9762296 ASZAAOOUVNTWBV-UHFFFAOYSA-N 414.655 4.807 0 40 HJAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc(C(=O)Nc2ccccc2)cc1 11011507 FZVSWGKBNCKURQ-IBGZPJMESA-N 411.509 4.713 0 40 HJAB COc1ccc2nc(-c3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)cn2n1 11693397 MSSGBYPCBSWACN-UHFFFAOYSA-N 412.371 4.676 0 40 HJAB C[C@@H](Sc1nnnn1C1CCCCC1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 12800559 YVLSXBNZFJIAMR-CQSZACIVSA-N 415.563 4.526 0 40 HJAB O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1cc(-c2ccccc2F)no1 12847945 LTROQPYETRDVPS-UHFFFAOYSA-N 406.461 4.855 0 40 HJAB CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2C)n1 13013463 PWBBSSPESXMDSK-OAHLLOKOSA-N 406.511 4.883 0 40 HJAB COc1ccc(/C=C(\NC(=O)c2cccs2)c2nc3ccccc3[nH]2)cc1OC 13426674 UBVFXYDKALKJJD-ATVHPVEESA-N 405.479 4.570 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(C)s2)NC(=S)N1 13879018 QMOLBWFYXQZULN-OAHLLOKOSA-N 411.474 4.507 0 40 HJAB c1ccc2c(c1)OC[C@H](CSc1nnc(-c3c[nH]c4ccccc34)n1C1CC1)O2 14069182 GHBLRRQSWRAHMC-OAHLLOKOSA-N 404.495 4.693 0 40 HJAB CC[C@@H](C)NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1 15018879 JGLYEAZIBOGFOJ-OAHLLOKOSA-N 406.511 4.687 0 40 HJAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)Nc1ccc(Br)cc1 15358496 AFMMGAYMLJFMHN-IBGZPJMESA-N 419.319 4.967 0 40 HJAB CC(C)COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1 17089008 FQSVDRHYARTJNU-UHFFFAOYSA-N 411.571 4.839 0 40 HJAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1ccc2ccccc2n1 18186487 PXKNYSHDWBEGSD-UHFFFAOYSA-N 424.551 4.877 0 40 HJAB Cc1ccc(OCc2nc(C(=O)Oc3ccc4c(C)cc(=O)oc4c3)cs2)cc1 18230643 VEURZYBNWYVWHJ-UHFFFAOYSA-N 407.447 4.665 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCC(=O)c1ccc(Cl)cc1 19617601 KTZMHFCNJGSOGA-UHFFFAOYSA-N 409.917 4.764 0 40 HJAB COc1ccc(-c2cn3cc(Br)cc(Br)c3n2)cc1F 19861510 SIGXPACKLXUKRB-UHFFFAOYSA-N 400.045 4.674 0 40 HJAB Cc1c(NC(=S)Nc2ccc(-c3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C 20293806 NROQCPBJPMFHNA-UHFFFAOYSA-N 414.534 4.960 0 40 HJAB CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(Cc3cccs3)C2)cc1 20503241 UNTCDZABBGHJAP-FUHWJXTLSA-N 408.592 4.918 0 40 HJAB biogenic,in-vitro Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(OC3CCCC3)cc1)SCC(O)=N2 20737932 MPFDXNXLRBNWIX-HXUWFJFHSA-N 421.526 4.716 0 40 HJAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 22972750 JXZASGDWMYNUDK-UHFFFAOYSA-N 420.534 4.539 0 40 HJAB O=C(c1cccs1)N1CCC(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)CC1 24470890 FMQPLHUVGFDMAF-UHFFFAOYSA-N 422.472 4.599 0 40 HJAB CCOc1ncccc1C(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 24838503 FZGUVJNCTOVRAK-QGZVFWFLSA-N 403.482 4.566 0 40 HJAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN(C)Cc1cccc(OC)c1 32654904 MZBKQMVQCIBTMW-UHFFFAOYSA-N 408.542 4.754 0 40 HJAB COc1ccccc1-c1noc(CSc2nnc(COc3cc(C)ccc3C)o2)n1 32672116 SONUYXSMULDNFP-UHFFFAOYSA-N 424.482 4.616 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1 34856356 FBENWMWFOXLJDY-VWLOTQADSA-N 413.521 4.997 0 40 HJAB Cc1ccn2cc(-c3cccc(NC(=O)[C@@H](c4ccc(F)cc4)N(C)C)c3)nc2c1 35316886 ODYUYJGAOXCPJR-HSZRJFAPSA-N 402.473 4.690 0 40 HJAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2C(C)C)sc2c1CCCC2 44849368 PNCWKFMGQIWZKZ-AWEZNQCLSA-N 401.528 4.943 0 40 HJAB Cn1c2c(sc1=O)[C@H](c1ccc(F)c(F)c1F)CC(=O)N2c1ccc(Cl)cc1 49543914 UQBXLADWHISNAB-LBPRGKRZSA-N 424.831 4.718 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)N1CC=C(c2c[nH]c3ncccc23)CC1 55553105 LPQNOHUUIWIYHH-UHFFFAOYSA-N 402.281 4.564 0 40 HJAB C[C@@H](CNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)N(C)c1ccccc1 58245937 PGGLTHGAIRLEAX-IBGZPJMESA-N 416.525 4.610 0 40 HJAB CCC[C@@H](NC(=O)CNC(=O)c1ccccc1Cl)c1cccc(C(F)(F)F)c1 58294711 VQIUOYVGMKGLFF-QGZVFWFLSA-N 412.839 4.746 0 40 HJAB O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1ccc(C(F)(F)F)cc1 62580772 HIILJTPLFXIKMP-UHFFFAOYSA-N 405.445 4.714 0 40 HJAB CCO[C@H](CCNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)C(C)C 72307163 ZDXLKTBQJKUNSF-MRXNPFEDSA-N 417.859 4.726 0 40 HJAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@@H]4c2ccco2)cc1 85876500 FABFMCFQHQQVDU-OAHLLOKOSA-N 418.401 4.511 0 40 HJAB biogenic O=C(COc1ccccc1Cl)NC1(c2nc(-c3ccsc3)no2)CCCCC1 95451372 BZFUTVQCHRGFRE-UHFFFAOYSA-N 417.918 4.806 0 40 HJAB C/C(=C\C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1Cl 97298185 BHFFDGKCIOKHBM-FYWRMAATSA-N 423.866 4.896 0 40 HJAB Cc1cccc2c(=O)c(-c3ccc4c(c3)OCO4)c(NC(=O)c3ccc(F)cc3)oc12 101392530 PHSQQGBTVRXBPX-UHFFFAOYSA-N 417.392 4.889 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@H](CC)C(=O)NC(C)C)cc1 222840970 ZSIPDNIMRSBPIH-XMMPIXPASA-N 424.585 4.522 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1C1CCCCC1 223091075 ILKGCNDPDNVZOU-YADHBBJMSA-N 406.555 4.830 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 223358627 KLWOLNCRBAVWHA-HXUWFJFHSA-N 418.940 4.744 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(CC)cc1 223461587 AZEZZJRGFYWRBC-HXUWFJFHSA-N 424.585 4.524 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccccc1 223957039 YJEDEUKFRXASJU-JOCHJYFZSA-N 408.523 4.677 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)cc1 224136875 QTRJTBCNRDXYKI-NRFANRHFSA-N 408.586 4.680 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 224653799 CLOHFZVLNSIBSP-DEOSSOPVSA-N 424.585 4.734 0 40 HJAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1cccc(CN2CCCCC2)c1 224676847 XPNVXICQPIGMOR-FQEVSTJZSA-N 402.538 4.909 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 225154241 IOUDODSCSAIHFI-OALUTQOASA-N 414.977 4.913 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 225478397 NIVCEFAVBVNVKA-XUZZJYLKSA-N 424.585 4.876 0 40 HJAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4cc(C(C)C)n[nH]4)C3)c2)cc1 257242158 IBJAZHKIZXNOTP-IBGZPJMESA-N 418.541 4.932 0 40 HJAB COc1ccc(CN2CCc3nc([C@H]4CCCN4C4CCCCC4)ccc3C2=O)cc1 257300073 RSTXXFHOILXQMT-RUZDIDTESA-N 419.569 4.758 0 40 HJAB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(Br)c1OC(C)C 408607207 IZESGXSORDYUCB-UHFFFAOYSA-N 408.292 4.945 0 40 HJAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2c(C)n(C)c3ccccc23)S1 408817248 VILIQOSKMWCQRL-UHFFFAOYSA-N 412.922 4.912 0 40 HJAB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC(C)C 409113371 HPWUPBIDUUBQBG-LZYBPNLTSA-N 421.280 4.887 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2Cl)cc1 683287 CPASENFOAJCVGN-UHFFFAOYSA-N 406.935 4.512 0 40 HJAB O=C(O)c1ccccc1C(=O)n1c(COc2ccc(Cl)cc2)nc2ccccc21 937525 LKGXWJCYFXMINV-UHFFFAOYSA-N 406.825 4.655 0 40 HJAB CCOc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 1363642 HNAWOEZDQOHQDM-QGZVFWFLSA-N 411.889 4.809 0 40 HJAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 2399779 PZNBFXGDZQULLK-FQEVSTJZSA-N 418.836 4.600 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](Nc1ccc2c(c1)OCCO2)c1ccccc1 3332675 LICQMFPOSRUHQC-HSZRJFAPSA-N 404.466 4.567 0 40 HJAB CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 3483247 PVQSGFMHQQNSFB-UHFFFAOYSA-N 413.374 4.985 0 40 HJAB O=C1/C(=C\c2ccccc2Cl)NC(=S)N1C(=O)c1ccc(Cl)cc1Cl 3886367 WZKXQTHITJPRQT-VGOFMYFVSA-N 411.697 4.545 0 40 HJAB Cc1ccc(S(=O)(=O)/N=[S@@](/C[C@@H]2CC2(Cl)Cl)c2ccccc2)cc1 4145225 LRSPENWZCIZCJT-LFVRLGFBSA-N 402.368 4.739 0 40 HJAB O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 4496561 CFIAXJSPTWOUJW-UHFFFAOYSA-N 404.900 4.923 0 40 HJAB CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 4536059 QMBJSIBWORFWQT-NAJXOFDYSA-N 404.934 4.752 0 40 HJAB COC(=O)C(C(=O)OC)[C@H](c1ccc(Cl)cc1)[C@H](C)C(=O)c1ccc(C)cc1C 4694041 KXZKTUCOFABAST-KXBFYZLASA-N 416.901 4.522 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 4816632 DCDZGOLVCLLEFF-LEWJYISDSA-N 408.477 4.539 0 40 HJAB O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1c(F)c(F)c(F)c(F)c1F 6045187 WQHWGAAGBRPGRI-UHFFFAOYSA-N 405.282 4.838 0 40 HJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(C(F)(F)F)c1 6331111 HMPPZJMSZQYYGF-UHFFFAOYSA-N 405.203 4.723 0 40 HJAB CCCN(CC1CC1)C(=O)CSc1nnc(-c2cccc(C)c2)n1Cc1ccco1 6560208 ZEGHKIIPUWHAGO-UHFFFAOYSA-N 424.570 4.636 0 40 HJAB CN(C(=O)CSCC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCCCC1 7670092 PMHICWNNPKQBPJ-UHFFFAOYSA-N 412.555 4.942 0 40 HJAB O=C1CN(c2cc(Cl)ccc2Cl)C(=O)CN1c1cc(Cl)ccc1Cl 8411887 YVOCMUWYLOXEMB-UHFFFAOYSA-N 404.080 4.680 0 40 HJAB Cc1sc2nc(CN(C(=O)NC3CCCCC3)C3CCCCC3)[nH]c(=O)c2c1C 8677558 DKUGQUZYVZAURK-UHFFFAOYSA-N 416.591 4.778 0 40 HJAB Clc1ccc(C2=Nn3c(nnc3-c3ccccc3Br)SC2)s1 9582913 XBZONBGBEKKSJJ-UHFFFAOYSA-N 411.737 4.781 0 40 HJAB COC(=O)c1ccc(C(=O)Nc2nc(-c3cc4ccc(OC)cc4o3)cs2)cc1 12443602 XGLRMCYBRQLWOV-UHFFFAOYSA-N 408.435 4.604 0 40 HJAB COCc1nn2c3c(nnc2c1-c1ccc(Cl)cc1)C(=O)C[C@@H](c1cccs1)C3 13639388 YQNZQQSPCIDKML-ZDUSSCGKSA-N 424.913 4.565 0 40 HJAB COc1cc(OC)c(N[C@@H](C(=O)NCc2ccccc2)c2ccccc2)cc1Cl 14075915 AQXRQOAKRBANKX-JOCHJYFZSA-N 410.901 4.827 0 40 HJAB COc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1Br 14901413 CKCXSUZJGQCHBA-UHFFFAOYSA-N 400.301 4.679 0 40 HJAB O=C(CSC1=Nc2ccccc2[C@H]2CC=NN12)NCc1ccc(Cl)cc1Cl 16045801 ALYLSILORGBWCN-QGZVFWFLSA-N 419.337 4.777 0 40 HJAB CCOc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3ccc(OC)cc3cc12 16955675 LMPVUEVEBDZICX-UHFFFAOYSA-N 418.497 4.900 0 40 HJAB Cc1ncc(CNC(=O)Cn2c(C)cc3ccccc32)c(-c2cn(C)c3ccccc23)n1 19126789 KLOSIPGBJXQTBK-UHFFFAOYSA-N 423.520 4.523 0 40 HJAB O=C(C1CC1)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19294043 PLNOMFDEEVLTFL-OAQYLSRUSA-N 417.488 4.885 0 40 HJAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCCC[C@@H]1CCN1CCCC1 19376046 UQHDTZZQEAFGMH-OAQYLSRUSA-N 414.553 4.777 0 40 HJAB CCCc1ncc(-c2cc(C)no2)c([C@H]2CCCCN2C(=O)Cc2ccc(C)cc2)n1 19525533 RVCDZDLMMVDPGN-OAQYLSRUSA-N 418.541 4.997 0 40 HJAB COCC(=O)N1CCc2sccc2[C@@H]1c1ccc(NCc2ccc(F)cc2)cc1 19592932 QJHJITTZSXXPSX-QHCPKHFHSA-N 410.514 4.620 0 40 HJAB COc1ccccc1-c1ccc(CN(C)Cc2ccccc2N2CCOCC2)cc1 19715486 IEQMHRJWVVTINF-UHFFFAOYSA-N 402.538 4.831 0 40 HJAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 20036925 IKKHSKMYRYZTHZ-KRWDZBQOSA-N 406.482 4.739 0 40 HJAB Cc1cc2nc(Nc3nc(C)c(Cc4ccc(Cl)cc4)c(=O)[nH]3)nc(C)c2cc1C 20673290 FJOMDQIWTCTOGJ-UHFFFAOYSA-N 419.916 4.935 0 40 HJAB Cc1cc(C)c2nc(Nc3nc(C)c(Cc4ccc(Cl)cc4)c(=O)[nH]3)nc(C)c2c1 20673305 FVQFQPUWUCXTTH-UHFFFAOYSA-N 419.916 4.935 0 40 HJAB Cc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1Cl 21352225 FIWAKOZGRHCKDQ-UHFFFAOYSA-N 415.946 4.787 0 40 HJAB CCc1nc2sc([C@H](c3ccc(Cl)cc3Cl)N3CCCCC3)c(O)n2n1 22853128 MNPNSXBOFSEHNU-HNNXBMFYSA-N 411.358 4.941 0 40 HJAB CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nccn2-c2cc(C)cc(C)c2)cc1 26046054 VTURYYZVDRRICT-KRWDZBQOSA-N 407.539 4.661 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)c1C 28206833 WRUQXFUXBKXIDP-QGZVFWFLSA-N 420.534 4.696 0 40 HJAB O=C(c1sc2ncccc2c1-n1cccc1)N1CCN(c2ccccc2Cl)CC1 33298021 FUHAPZJRKPZAGH-UHFFFAOYSA-N 422.941 4.703 0 40 HJAB C[C@@H](c1cccs1)N(C)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S 36396661 UXJNTUWHWPHGDC-HNNXBMFYSA-N 411.556 4.829 0 40 HJAB COc1ccc(CNC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1OC 36709330 AEYIOSRUJNIGGV-UHFFFAOYSA-N 402.454 4.569 0 40 HJAB Cc1cc2nc(CSc3ccccc3NC(=O)c3ccc(C)c(F)c3)cc(=O)n2o1 41085575 TXNFMFBSLIMBEE-UHFFFAOYSA-N 423.469 4.588 0 40 HJAB Cc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 44852904 AHGUTMLPQDVDES-QGZVFWFLSA-N 418.940 4.583 0 40 HJAB O=C1c2cc(NC(=O)C3(c4cccs4)CCCC3)ccc2OCC[C@H]2CCCCN12 49030366 ZIKVEVRANMVMIO-GOSISDBHSA-N 424.566 4.976 0 40 HJAB O=C(O)/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)Sc1nc2ccccc2[nH]1 51125218 QOWDJSMYBKPWKX-WQRHYEAKSA-N 406.419 4.739 0 40 HJAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(Cc2ccc(F)cc2)C4)cc1 53184365 PXYOGWFHUSGTGE-UHFFFAOYSA-N 417.436 4.960 0 40 HJAB biogenic NC(=O)C1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3Cl)o2)CC1 58423564 KXCGIHXDHNZWLF-UHFFFAOYSA-N 423.900 4.554 0 40 HJAB O=c1c(Cl)cc(C(F)(F)F)cn1CC[S@@](=O)c1cc(Cl)ccc1Cl 60815618 IPYYXDFFHOMVSQ-DEOSSOPVSA-N 418.651 4.635 0 40 HJAB COc1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(F)cc3)n2)cc1Cl 67257143 WXELRJXZQCVOEQ-UHFFFAOYSA-N 417.893 4.984 0 40 HJAB Cc1c(F)cccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1 67293118 WFSOOQAVTVFCNB-DAAIQYDRSA-N 414.864 4.675 0 40 HJAB CCN(C)C[C@@H]1CCN(C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 72303461 SGYKJAXCPUJTRV-MBSDFSHPSA-N 417.018 4.963 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 72349601 ZKOVITBSYCPKJV-HXUWFJFHSA-N 406.476 4.899 0 40 HJAB O=C(CCc1ccc(F)cc1)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 72359177 HBDBUIYIZNMLGN-GOSISDBHSA-N 407.464 4.761 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1C(C)C 89643156 HQARJLOFJZHZFW-UHFFFAOYSA-N 400.544 4.545 0 40 HJAB COc1ccc(/C=C2/N=C(SC[C@H]3CCCO3)N(c3cc(C)cc(C)c3)C2=O)cc1 96035464 BQKVXOVKVIXTHL-XOWGOQOESA-N 422.550 4.968 0 40 HJAB COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@@H](c1ccsc1)CC(=O)O2 96116138 XPVCUKONZALYME-OAHLLOKOSA-N 404.443 4.971 0 40 HJAB biogenic CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1cccc(Cl)c1 96234440 ZANDMVYGIOBGKL-UHFFFAOYSA-N 407.948 4.733 0 40 HJAB COc1ccc(NC(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)cc1OC 96315513 ZAFQANSDJBNGCX-UHFFFAOYSA-N 423.469 4.809 0 40 HJAB COC(=O)c1ccc([C@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 102879758 URZRQAHIZFJKJE-IBGZPJMESA-N 415.449 4.579 0 40 HJAB O=C(O)/C=C/c1ccc(OCc2cccc(Br)c2)c(Br)c1 110418723 XLKFODHUGNZBFB-FNORWQNLSA-N 412.077 4.888 0 40 HJAB Cc1ccccc1CN(C(=O)CCc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C 222706326 XNOFYURVQQEODT-SFHVURJKSA-N 414.977 4.913 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(OC)cc3)N21 222707964 RWFVPQPMKPUOHC-NPFVIJTESA-N 404.539 4.860 0 40 HJAB CN(c1cccc(C(=O)NC2CCCCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 224270864 ZILHKSDGIDUYOD-UHFFFAOYSA-N 420.962 4.618 0 40 HJAB Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)s2)cc1 224727033 UVHUXBYOZKLUNR-GOSISDBHSA-N 410.518 4.503 0 40 HJAB COc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1Cl 225577751 FWRPUUVRDFMNNA-UHFFFAOYSA-N 411.304 4.992 0 40 HJAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(N3CCCC3=O)cc1)CC(C)(C)O2 225675360 BGMRANHANGQPTG-LJQANCHMSA-N 409.555 4.711 0 40 HJAB O=C(NCCc1ccccn1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 257308655 TXOCLYVCHAGQAO-UHFFFAOYSA-N 418.512 4.586 0 40 HJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3ccccn3)CC2)on1 257342733 ZPXIECWXLRSVJJ-IYARVYRRSA-N 419.529 4.662 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(Cl)cc3)c2)cc1 409182349 KWVXGUGYWXSSID-UHFFFAOYSA-N 407.853 4.940 0 40 HJAB Cc1nc(S/C(=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)C(=O)O)n[nH]1 409189933 NVYMFPVDCCEVPS-MFOYZWKCSA-N 419.865 4.702 0 40 HJAB C[C@@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc(F)c2ccccc12 551005657 NEQFUZDUDXWFMB-XLIONFOSSA-N 406.501 4.739 0 40 HJAB Cc1cc(-c2ccc(/C=C/c3nc4ccccc4c(=O)n3N)o2)ccc1Br 575414782 ICMVOLOSFPMDBB-DHZHZOJOSA-N 422.282 4.612 0 40 HJAB Cc1cccc(CC(=O)N2Cc3ccccc3NCC[C@H]3CC[C@@H](C2)N3C(C)C)c1 643575797 LPZWSIXIJCLIQU-RPWUZVMVSA-N 405.586 4.623 0 40 HJAB Cc1c(C(=O)N(C)[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)oc2ccc(F)cc12 1615139771 QUYRGBRHEGMZOW-CEMLEFRQSA-N 411.473 4.703 0 40 HJAB O=c1oc2ccc(Br)cc2cc1-c1nnc(Nc2ccccc2F)s1 856278 IVOLKBXAEDSAPI-UHFFFAOYSA-N 418.247 4.957 0 40 HJAB CCOc1ccc(-c2nnc(N(CC(C)C)C(=O)c3ccccc3OC)s2)cc1 1345569 SNWJHSDCCDUWBX-UHFFFAOYSA-N 411.527 4.915 0 40 HJAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1C 2275562 PMSFJICQEKGCCX-UHFFFAOYSA-N 404.495 4.791 0 40 HJAB CCC(CC)NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 3565137 SYNIDRZBUSRXIB-UHFFFAOYSA-N 402.010 4.881 0 40 HJAB COc1cccc(OCCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 3663923 PHDHPLJALCWAKZ-UHFFFAOYSA-N 407.310 4.542 0 40 HJAB CC(C)(C)C(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 5169210 GMROHBGRPULMOL-UHFFFAOYSA-N 413.474 4.835 0 40 HJAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 6155691 FSCIVJDFOMHHCF-KGVIQGDOSA-N 423.557 4.690 0 40 HJAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cc(F)ccc1Br 7448893 RLMXZCYJJMTMHX-UHFFFAOYSA-N 405.311 4.504 0 40 HJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N[C@@H](c1ccccc1)c1cccs1 7733520 WPZYJIDYHOFAKR-IBGZPJMESA-N 406.536 4.531 0 40 HJAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)Cc3ccc(F)cc3)n2)cc1 7780011 IXWUWBASQCFFGV-CQSZACIVSA-N 412.486 4.625 0 40 HJAB COc1cc(C)c(CN(C)C(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1OC 8721503 JHUWZRNHJFMAHP-UHFFFAOYSA-N 415.493 4.623 0 40 HJAB Cc1cc(OCC(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc(C)c1Cl 8991225 UXKIZTPXOVQFJT-UHFFFAOYSA-N 421.884 4.855 0 40 HJAB Ic1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)o1 9477423 XFIKCNNCHKOQJH-SFHVURJKSA-N 413.218 4.873 0 40 HJAB O=C(Nc1nnc(SCc2ccccc2F)s1)c1cnc(Cl)c(Cl)c1 9956653 JBJGLYYTBQCWML-UHFFFAOYSA-N 415.302 4.924 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2C)cc1 10060286 NJIPMGIWEREARI-BJKOFHAPSA-N 424.504 4.976 0 40 HJAB O=C(CCCn1nc(-c2ccco2)ccc1=O)Nc1ccc(Oc2ccccc2)cc1 11695853 OEVUIDFQDLFPSC-UHFFFAOYSA-N 415.449 4.715 0 40 HJAB COc1cc(N2CCn3c(nc4cccc(Cl)c43)C2)ccc1NC(=O)c1ccco1 12418966 JQCQUWCKAFZAIB-UHFFFAOYSA-N 422.872 4.564 0 40 HJAB COc1ccc2[nH]cc(CCNC[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCCC(C)=C5C[C@@H]43)c2c1 12661323 FGIKHFZJZSAPJO-XVOWXPBNSA-N 422.569 4.767 0 40 HJAB biogenic O=C(CSc1nc2ccccc2o1)N1CCC[C@H](c2nc3ccccc3s2)C1 12785826 ZBGHGKPKVKXTTH-AWEZNQCLSA-N 409.536 4.936 0 40 HJAB O=C(c1cncc(Br)c1)N(CCc1ccccc1)Cc1cccs1 13011319 PCMGFKUSADDUTQ-UHFFFAOYSA-N 401.329 4.791 0 40 HJAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCCN1Cc1ccc(F)cc1 19239793 HLFDRQZIEQRYPN-JOCHJYFZSA-N 405.521 4.779 0 40 HJAB O=C(c1ccccn1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373247 XTXANPIRMSWPCW-QFIPXVFZSA-N 422.492 4.655 0 40 HJAB CCC(=O)N1CCC(c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)CC1 19498539 AOUPLQWSCNVKPG-UHFFFAOYSA-N 405.477 4.537 0 40 HJAB COc1ccc(-c2cc(C(=O)N(Cc3ccccc3)[C@@H]3CCOC(C)(C)C3)on2)cc1 19660492 QBONGDHXXAEPKE-HXUWFJFHSA-N 420.509 4.950 0 40 HJAB O[C@@H](CNCc1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1 20476829 YFTPXPNFLMJAHQ-NRFANRHFSA-N 412.327 4.851 0 40 HJAB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1)c1ccccc1 20481634 NUXIFTCJNRVYRF-OAQYLSRUSA-N 422.550 4.985 0 40 HJAB CC(C)(C)c1ccc(C(=O)N(CCN2CCOCC2)c2nc3ccccc3s2)cc1 20742540 LMIQGJZETSQDMO-UHFFFAOYSA-N 423.582 4.573 0 40 HJAB O=C(Nc1ccccc1)c1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 22917584 BSDMSCBRTNRAGS-UHFFFAOYSA-N 419.956 4.910 0 40 HJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCCn1cnc2ccccc2c1=O 23113946 UIMWDXBYECTSNH-AWEZNQCLSA-N 418.324 4.703 0 40 HJAB Cc1cccc(C(=O)Nc2ccc(OC(=O)c3[nH]c4c(c3C)C(=O)CCC4)cc2)c1 25711501 ARZOJRCKWOGOLL-UHFFFAOYSA-N 402.450 4.622 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 30944207 IYYAKEZLNGMNJO-HSZRJFAPSA-N 402.513 4.944 0 40 HJAB CC(C)c1cc(NC(=O)COc2ccc(Cl)cc2C(=O)Nc2ccccc2)on1 31790347 XYCIVTCUHMUPAS-UHFFFAOYSA-N 413.861 4.721 0 40 HJAB Cc1ccc([C@H](NS(=O)(=O)Cc2c(F)cccc2Cl)c2ccccc2)cc1 38755127 VCWULFYHYAPREK-OAQYLSRUSA-N 403.906 4.997 0 40 HJAB COC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)sc2c1CCCC2 44838859 OOWCCUUEQUYIJW-GFCCVEGCSA-N 405.541 4.541 0 40 HJAB O=C(Cc1ccc(F)cc1)N(Cc1ccc(Br)cc1)Cc1ccccn1 48299528 MONJLNZSRWFBFW-UHFFFAOYSA-N 413.290 4.755 0 40 HJAB CCc1nc(CN2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cs1 48312680 JWQBVJKMKCHWCE-UHFFFAOYSA-N 419.594 4.572 0 40 HJAB O=C(/C=C/c1cccs1)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 49503880 ZSKZBFPZTWTWEY-ACCUITESSA-N 424.547 4.542 0 40 HJAB C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(N[C@H](C)C(=O)NC(C)(C)C)c23)C1 58003987 OZATVCHJPPNZBM-UONOGXRCSA-N 423.586 4.593 0 40 HJAB COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccc1NC(=O)c1ccncc1 60136633 OJMUXWJJMBJOTN-UHFFFAOYSA-N 400.356 4.806 0 40 HJAB Cc1ccc(C)n1C1CCN(C(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)CC1 65475789 KCIZUSJPIHPKDZ-UHFFFAOYSA-N 415.843 4.572 0 40 HJAB COc1ccc(OC)c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)c1 67297358 GRXDKZPMUVTLIS-LCUIJRPUSA-N 400.434 4.935 0 40 HJAB CCOc1ccccc1NC(=O)CSc1ncnc2c(-c3ccccc3)c[nH]c12 71328113 ZHYHWKCCEYHDGJ-UHFFFAOYSA-N 404.495 4.754 0 40 HJAB CCOc1ccc(-c2cc3c(=O)n(Cc4ccc(C)c(C)c4)ccn3n2)cc1Cl 72329610 NJBGFOQJVMFJHF-UHFFFAOYSA-N 407.901 4.880 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349605 SITXYUVXVZAXAJ-FQEVSTJZSA-N 406.476 4.899 0 40 HJAB O=C(Cc1csc(-c2cc(Br)cs2)n1)N1C[C@@H]2CCCC[C@H]2C1 79022422 NWIPXBSKUDTBFN-RYUDHWBXSA-N 411.390 4.825 0 40 HJAB COc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1 95474400 CFLZRJPULJQTAV-LJQANCHMSA-N 401.532 4.895 0 40 HJAB C[C@@H](SCc1ccccc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 95481667 YRDHGABXIONEKM-CQSZACIVSA-N 401.919 4.670 0 40 HJAB CCSc1nc2n(n1)[C@@H](c1cc(OC)ccc1OC)C1=C(O)CC(C)(C)CC1=N2 102671684 RCBUWLCAALWKLV-SFHVURJKSA-N 414.531 4.715 0 40 HJAB CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2ON1c1ccccc1 102726149 NJBXYNKCLWDUAR-TWHAJKEOSA-N 406.526 4.890 0 40 HJAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103363776 OIWJNXFQILPYHM-MDLJMBGESA-N 410.543 4.639 0 40 HJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118934462 JIAQXWKDZDJACF-VQXZZTEQSA-N 418.574 4.867 0 40 HJAB O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1 138986803 QXWMAPRMGZIRIC-UHFFFAOYSA-N 416.688 4.988 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 222535669 JRWASPRSEFHHGB-QFIPXVFZSA-N 414.977 4.913 0 40 HJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4ccncc4)c3C)N21 222674811 DDPBXADSUZPBRQ-AJSBUHFISA-N 417.582 4.923 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCC1 222994007 YDYQXVMYNPEXBK-HSZRJFAPSA-N 406.526 4.598 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)cc(C)c1 224031639 VHWQUOMAFOLSNM-DEOSSOPVSA-N 424.585 4.578 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(COc2ccccc2C)c1 224100757 HLZBYAMSMFSJFU-UHFFFAOYSA-N 405.450 4.622 0 40 HJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)[nH]1 224514701 UDPPFJCEZRJEDP-ZWKOTPCHSA-N 413.344 4.658 0 40 HJAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)c1 224845856 LVBSEIDULXXWRJ-VXKWHMMOSA-N 422.554 4.658 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225000656 OSMNBUQXOSSBCK-PMACEKPBSA-N 410.558 4.521 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 225101018 JOUABTBVAQRWIG-QFIPXVFZSA-N 424.585 4.697 0 40 HJAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 257297863 RJCIJGJOXFIHHR-IBGZPJMESA-N 400.526 4.679 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)[nH]n1 257317056 VIEDSYFNCYQBLH-MRXNPFEDSA-N 412.921 4.785 0 40 HJAB Cc1nn(C(C)C)c(C)c1CN1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 257325424 WSXAZGAKUKRHNZ-XMMPIXPASA-N 408.521 4.855 0 40 HJAB c1ccc([C@]23CCc4ncc(-c5ccncc5)n4C[C@@H]2N(Cc2ccco2)CC3)cc1 306141510 VYQVBDIBROBISY-AZGAKELHSA-N 410.521 4.697 0 40 HJAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCc3ccccc3C2)cc1 408674670 BCKJDXBTLGUYQF-UHFFFAOYSA-N 424.500 4.773 0 40 HJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(C(C)=O)c2)cc1 408677687 QRGAHKRIRVBDIO-UHFFFAOYSA-N 412.445 4.639 0 40 HJAB Cc1cc(C)cc(OCC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1 408713928 CVVYATPDGBWYFU-UHFFFAOYSA-N 407.514 4.688 0 40 HJAB NC(=O)c1ccc(NCc2ccccc2)c(NC(=O)CCSc2ccc(F)cc2)c1 549863660 BYKJNCRRAWIMFY-UHFFFAOYSA-N 423.513 4.658 0 40 HJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1Br 575610477 NPXRGHKJCLVQEY-CQSZACIVSA-N 408.342 4.703 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c2ccccc12 1615546580 PFLOWHJDOXZOMB-UHFFFAOYSA-N 421.902 4.710 0 40 HJAB CC(C)c1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 627383 OOQFCMGZQKECHQ-OALUTQOASA-N 406.482 4.668 0 40 HJAB CN(Cc1ccccc1)C(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 845049 KHINXPVHPGLZMC-UHFFFAOYSA-N 416.428 4.749 0 40 HJAB CC1CCN(C(=O)CSc2nc(-c3ccc(F)cc3)nc3ccc(F)cc23)CC1 922169 YXGMMLUPCMSIQB-UHFFFAOYSA-N 413.493 4.926 0 40 HJAB CN(Cc1ccccc1)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 999344 YDKLOESHRIVDRB-PKOBYXMFSA-N 414.431 4.816 0 40 HJAB C/N=C1\S/C(=C\c2cn(CCOc3ccccc3C)c3ccccc23)C(=O)N1C 1014111 QCAJXRBXIOONON-PZUCIDFCSA-N 405.523 4.561 0 40 HJAB Cc1[nH]c2c(Cl)cccc2c1CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 1075397 KFNRBTGWSHGRHO-UHFFFAOYSA-N 404.963 4.948 0 40 HJAB COc1ccc([C@]2(OC)Oc3cc(OC)ccc3-c3nc4ccccc4nc32)cc1 1674551 VODKBINZIUJCJL-DEOSSOPVSA-N 400.434 4.554 0 40 HJAB CCN(CC)c1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)cc1 2396864 TXWLAYYORZZAHM-UHFFFAOYSA-N 400.573 4.885 0 40 HJAB FC(F)Oc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2ncnn21 2918028 SZXKPFSKBAPSFR-CABCVRRESA-N 421.245 4.788 0 40 HJAB C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)N(C)c1ccccc1 3521283 HMFZWNDLWLVVBP-INIZCTEOSA-N 400.434 4.703 0 40 HJAB CC1=CC(C)(C)N(C(=O)N[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c2cc(C)c(C)cc21 4679630 MLIZIWCWBQOBSO-FHWLQOOXSA-N 423.557 4.536 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)ccc1Cl 5008058 ZPFWLYKXODAASR-UHFFFAOYSA-N 400.887 4.980 0 40 HJAB CCc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(OC(C)C)cc3)sc2c1 5115401 JWJSPPSGCUUTOM-UHFFFAOYSA-N 411.571 4.854 0 40 HJAB CCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(F)cc4F)csc3n2)cc1 5146986 AENWPKCEDKJPNS-UHFFFAOYSA-N 413.449 4.921 0 40 HJAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1C(=O)OCc1ccc(F)cc1 5787659 UYLHJMUSADTMRQ-UHFFFAOYSA-N 407.485 4.881 0 40 HJAB O=C(COc1ccccc1F)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 7167311 MFOPHOSLLRVSHF-SFHVURJKSA-N 404.397 4.922 0 40 HJAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 7979634 NJNYAYZXDXAGJL-UHFFFAOYSA-N 419.437 4.845 0 40 HJAB Cc1nc(CC(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cs1 7995621 WZGJNHMDFUZRRJ-UHFFFAOYSA-N 408.346 4.827 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2Cn2nc(C)n(Cc3ccccc3)c2=S)c1 8151147 VRLGIBHFUBATJW-NRFANRHFSA-N 424.570 4.583 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)sc2c1CCCC2 8497463 IBHWBZDPZKRPIR-OAHLLOKOSA-N 401.528 4.826 0 40 HJAB O=S(=O)(c1ccccc1Cl)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)no1 8649038 YVMZCXZPBPJQET-HNNXBMFYSA-N 424.309 4.569 0 40 HJAB Cc1cc(=O)oc2cc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)ccc12 9616673 KNGRBJNRMWHCEH-UHFFFAOYSA-N 407.429 4.964 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCCC[C@H]1c1ccn(C)n1 12133744 SWMDRUYACIRQAA-KRWDZBQOSA-N 416.884 4.934 0 40 HJAB O=C(N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 12408201 ZGFPMJITQAXRLK-PZJWPPBQSA-N 409.530 4.666 0 40 HJAB COc1ccc(-c2nc(NC(=O)c3cnc4c(cnn4C(C)C)c3)sc2C)cc1 12915003 CHEQUPYDHBLQNL-UHFFFAOYSA-N 407.499 4.705 0 40 HJAB C[C@H]1CN(C(=O)/C=C/c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)C[C@@H](C)O1 13400605 HBJZHAOINFQRQE-FEUHHVOASA-N 419.443 4.933 0 40 HJAB Cc1ccc2c(=O)cc(C(=O)Nc3nonc3-c3ccc4c(c3)CCCC4)oc2c1C 13653657 WGOOGHXXXHKEHB-UHFFFAOYSA-N 415.449 4.591 0 40 HJAB CCOC(=O)c1c(NC(=S)NCc2cccnc2)sc(C)c1-c1ccccc1 13838676 CFDUXNNLZOGAHC-UHFFFAOYSA-N 411.552 4.782 0 40 HJAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 13999716 GCTUWIROTVZSOB-RTBURBONSA-N 402.494 4.892 0 40 HJAB O=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(c1cccc(-c3ccccc3)c1)C2=O 15162630 NFKSBRVYEQUEPN-UHFFFAOYSA-N 419.440 4.802 0 40 HJAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4cccnc4)ccc3c2C)cc1OC 15729377 SKXYKRMYWCTQPZ-UHFFFAOYSA-N 416.433 4.637 0 40 HJAB biogenic Cc1ccc(C(=O)[C@@H]2C(/C=C/c3ccccc3)=NO[C@]23C(=O)Nc2ccccc23)cc1 15971886 VJVMMTXDAXEZJD-IWQRJCBASA-N 408.457 4.741 0 40 HJAB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)CCc2ccccc2)c1 16043045 DXQNNXQSCIBPDV-ZSQFBXSQSA-N 423.553 4.531 0 40 HJAB biogenic Cc1ccc(O)cc1N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 18060972 PMSLONQFUJGDCF-QGOAFFKASA-N 404.853 4.994 0 40 HJAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1ccc(Cl)cc1 18174583 FPWJWKXVLMHKHQ-UHFFFAOYSA-N 410.699 4.513 0 40 HJAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C2CCCC2)C1 19591044 MYNCENWZJABTMS-XMMPIXPASA-N 410.583 4.503 0 40 HJAB Cc1ncc(CN2CCc3[nH]nc(C4(c5ccc(Cl)cc5)CCCC4)c3C2)cn1 19731297 XUOUPYPFSTZTSF-UHFFFAOYSA-N 407.949 4.580 0 40 HJAB CC(=O)Nc1ccc([C@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1 19890824 UDVLTCFAIXOIAM-DEOSSOPVSA-N 408.461 4.964 0 40 HJAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccccc3Cl)c3ccccc32)c(C)c1 21343637 XAHBGIDJSPIOKM-RUZDIDTESA-N 419.908 4.964 0 40 HJAB COc1ccc(OC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 21836346 WYXNZGZRQIDWHP-UHFFFAOYSA-N 404.285 4.729 0 40 HJAB CCN(Cc1ccc(Cl)s1)C(=O)c1occc1CS(=O)(=O)c1ccccc1 22020465 XFHDFQYNKZYZMR-UHFFFAOYSA-N 423.943 4.631 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)CCc2ncc(-c3ccccc3F)o2)cc1OC 25618193 CVEZZUXWMFOWOD-IBGZPJMESA-N 424.472 4.794 0 40 HJAB C[C@H](OC(=O)CSc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1Cl 28695632 WVMOQYHAQXIQNU-JTQLQIEISA-N 402.274 4.795 0 40 HJAB Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(F)c(NC(=O)C3CC3)c2)cc1 29173760 VSDMMHVHEFYIDA-UHFFFAOYSA-N 416.452 4.966 0 40 HJAB COc1cccc([C@H](NC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)c2nccn2C)c1 29729883 IDQZIFQJSMUCNN-JTSKRJEESA-N 406.530 4.702 0 40 HJAB Cc1ccc(-n2c(S[C@@H](C)c3nc(-c4ccco4)no3)nnc2N2CCCC2)cc1 29740097 AKFHGHCAVKPORS-HNNXBMFYSA-N 422.514 4.672 0 40 HJAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4ccc(F)cc4)cc3)n2)cc1 32578780 JOMVHVCMFVCGOH-UHFFFAOYSA-N 417.440 4.546 0 40 HJAB C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccccc2Cl)n1C 33599728 PZLRWBDQIAETAG-LBPRGKRZSA-N 421.353 4.905 0 40 HJAB CC(C)n1c([C@@H](C)NC(=O)CN2CCC(c3ccccc3)CC2)nc2ccccc21 35316855 ATAGWYYEZDIFKC-LJQANCHMSA-N 404.558 4.674 0 40 HJAB COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38834527 RWOUFMFADGDFHG-CQSZACIVSA-N 421.324 4.631 0 40 HJAB COc1ccc(OC)c([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)c(Cl)c2)c1 40287585 LFTVKFAJFWSFIK-AWEZNQCLSA-N 401.825 4.806 0 40 HJAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1 57991138 FPWQVRCCEBQKJA-IBGZPJMESA-N 422.569 4.742 0 40 HJAB CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)c(C)n1 58161423 WHGDYASTLZLGIR-UHFFFAOYSA-N 408.527 4.882 0 40 HJAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1ccc(N2CCCC2)cc1 58176685 LEOGSTGNLLVCQO-HSZRJFAPSA-N 409.530 4.805 0 40 HJAB O=C(COc1ccc(Br)cc1Cl)Nc1ccc(N2CCCC2)cc1 59001400 MCVZDEKOEDUQES-UHFFFAOYSA-N 409.711 4.720 0 40 HJAB CCn1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c(=O)c2cc(F)ccc21 64963725 KDFGXTRLXIMMBL-UHFFFAOYSA-N 419.334 4.776 0 40 HJAB CC(C)(NC(=O)c1c(F)cccc1NCCN1CCCCC1)c1ccc(F)cc1 66089360 ABHWPMLJFHFMEQ-UHFFFAOYSA-N 401.501 4.528 0 40 HJAB Cc1ccccc1-c1cc2c(N3CCN(c4ccccc4Cl)CC3)nccn2n1 67285489 UQMJDVCPSLJSKC-UHFFFAOYSA-N 403.917 4.685 0 40 HJAB CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1ncc[nH]1 72370651 LHVIXRSUENPPMS-KRWDZBQOSA-N 410.587 4.750 0 40 HJAB C[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 79103294 JNNAHIHOVAIORV-HNNXBMFYSA-N 407.495 4.783 0 40 HJAB O=C(OCc1sc2ccccc2c1Cl)[C@H]1CCCN1C(=O)c1ccccc1O 95350337 SNFDTIILNIEUFJ-OAHLLOKOSA-N 415.898 4.608 0 40 HJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 95482410 DYKJJJQDSDFICC-KRWDZBQOSA-N 417.918 4.586 0 40 HJAB O=c1c2c([nH]c3nnc(SCc4ccccc4)n13)-c1ccccc1CC21CCCC1 101163353 XLYVLTDCBMPXQM-UHFFFAOYSA-N 414.534 4.745 0 40 HJAB CCn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)c(C)n1 118916072 KQSUPNWTORYXDA-SPODSGRKSA-N 412.618 4.969 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1ccccn1 223557969 PSCQEFCCERNXMU-GOTSBHOMSA-N 417.582 4.956 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(C(C)C)cc3)c2)cc1 224078900 DUCGUXWALIQHPF-UHFFFAOYSA-N 422.550 4.849 0 40 HJAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(Br)cc3F)o2)c1 224846374 AXGMJQHQURMLBM-UHFFFAOYSA-N 419.250 4.823 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 225008487 KAMHQMJCAWXOTQ-VQTJNVASSA-N 412.599 4.560 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 225162520 ZKORKJSNAPYTAJ-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB Cc1cccc(C2(C(=O)Nc3ccc(OCC(=O)N4CCCC4)cc3)CCCCC2)c1 225539413 UCXTYHWLCHGESH-UHFFFAOYSA-N 420.553 4.837 0 40 HJAB C[C@@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 225561305 GJOYWUXCZSGXSI-OAQYLSRUSA-N 422.569 4.627 0 40 HJAB Cc1ccccc1CSCCCNC(=S)Nc1ccc(N2CCCC2=O)cc1 225601619 HECUONSNNPTULI-UHFFFAOYSA-N 413.612 4.732 0 40 HJAB CCOc1ccc([C@H](C)NC(=S)Nc2cc(C(=O)OC)ccc2C)cc1OCC 225750330 XZLURIFQSNYLBR-HNNXBMFYSA-N 416.543 4.627 0 40 HJAB CSc1nnc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)s1 225863909 JGFRJADNWHULQU-UHFFFAOYSA-N 403.554 4.683 0 40 HJAB O=C(N[C@@H]1CC[C@@H]2OCCO[C@H]2C1)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 253472850 QCOKBBAEXPECJU-UXPWSPDFSA-N 406.309 4.727 0 40 HJAB O=C(c1ccccc1Cn1cccn1)N1CCC[C@@H](Cc2ccnc3ccccc23)CC1 257314165 UVPCOGWGRADQCS-OAQYLSRUSA-N 424.548 4.965 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1C[C@H]1CCCO1 260927086 YCHPSNAKELJTJI-QIJUGHKUSA-N 410.587 4.540 0 40 HJAB CCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(OC)c(OC)c3)nn2)cc1 408531187 LESBLYZHALGXKE-UHFFFAOYSA-N 408.454 4.559 0 40 HJAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccccc2)cc1 408696873 FNXMVWVCYKBPTQ-UHFFFAOYSA-N 402.429 4.724 0 40 HJAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@]2(CCCN2C[C@H]2CCCO2)CC1 585100118 FZISPMPHDNIOLO-GJZUVCINSA-N 423.601 4.517 0 40 HJAB CC(C)C(=O)N1CCCCCCCN(Cc2ccccn2)Cc2cc(C(=O)O)ccc21 643583056 LEBVQIINXSNPKW-UHFFFAOYSA-N 423.557 4.735 0 40 HJAB COc1cc(C)c(S(=O)(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)c(C)c1 1213435574 NPKIEGLIJPBUNS-UHFFFAOYSA-N 407.963 4.609 0 40 HJAB Cc1ncsc1CN1CCC2(CC1)C[C@@H](Cc1ccccc1)N(CC(C)C)C2=O 1615155947 KVLDNGWUSVDLRW-OAQYLSRUSA-N 411.615 4.533 0 40 HJAB CCOC(=O)COc1cc2occ(-c3nc4ccccc4s3)c(=O)c2cc1CC 848457 GZZLQJKCGSOBOW-UHFFFAOYSA-N 409.463 4.574 0 40 HJAB biogenic CCOc1cc(C(=O)Nc2ccc(N(CC)CC)cc2)cc(OCC)c1OCC 994812 HVPYWMRGXALBDB-UHFFFAOYSA-N 400.519 4.981 0 40 HJAB CC(C)(C)CC(=O)N1CCc2cc(-c3csc(NC(=O)c4cccnc4)n3)ccc21 1366787 XIHDRKGXDJWDMG-UHFFFAOYSA-N 420.538 4.783 0 40 HJAB O=C(/C=C/c1ccccc1Cl)NCCCCNC(=O)/C=C/c1ccccc1Cl 2098412 KHDKYKZKDQMAKP-PHEQNACWSA-N 417.336 4.733 0 40 HJAB Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 2417589 CGUVAVYGSRWKBY-DNQXCXABSA-N 410.452 4.938 0 40 HJAB COc1ccc(-c2c(C(F)(F)F)oc3cc(OC(=O)N(C)C)ccc3c2=O)cc1 2425866 HDPNTMRHSSGSLU-UHFFFAOYSA-N 407.344 4.548 0 40 HJAB biogenic Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)NC(C)(C)C 2620915 DIRGEUHTOORDEC-UHFFFAOYSA-N 410.901 4.935 0 40 HJAB CCOC(=O)c1c(NC(=S)NC(=O)CCC2CCCC2)sc2c1CC[C@@H](C)C2 2637920 DGBBKIFRZHHRJJ-CYBMUJFWSA-N 422.616 4.833 0 40 HJAB CN(C(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCCC1 3227677 HQUWKRCXVCRNNF-UHFFFAOYSA-N 411.342 4.672 0 40 HJAB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc2c(c1)OCO2 3356331 PHQRTARQPPSHTH-QMMMGPOBSA-N 404.797 4.602 0 40 HJAB O=c1cc(CSc2ncnc3scc(-c4ccccc4)c23)nc2sccn12 3413655 CPNJAEQSSASSPT-UHFFFAOYSA-N 408.533 4.720 0 40 HJAB Cc1c(-c2cccc(NC(=O)c3ccccc3Br)c2)nc2ncccn12 4033200 BMJSIBWPVSHJJB-UHFFFAOYSA-N 407.271 4.720 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCN(C(C)C)C2 4086892 QLTSTYOFYNQIFD-UHFFFAOYSA-N 406.935 4.597 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1 4122486 NWVKNWNPUMSKSJ-UHFFFAOYSA-N 416.506 4.887 0 40 HJAB CCOc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)cc1 4547432 WIKLECQZYSLRAW-UHFFFAOYSA-N 403.478 4.942 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)c1 5294674 PCEAHYHDNGFTIY-UHFFFAOYSA-N 405.479 4.841 0 40 HJAB O=C(NCC(F)(F)F)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 5298207 RPFIGZDEAYASES-UHFFFAOYSA-N 412.411 4.749 0 40 HJAB CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)cc1 6497583 HNEMALGUFBZDFV-GDNBJRDFSA-N 407.720 4.707 0 40 HJAB O=S(=O)(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc2ccccc2c1 7051581 GAVZBUNUVFAMJW-UHFFFAOYSA-N 418.522 4.626 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)o2)cc1 7826955 BSXZELQJRKIQAX-OAHLLOKOSA-N 423.538 4.594 0 40 HJAB O=C(NCCc1ccc(Cl)cc1)c1ccc(OCc2cn3ccccc3n2)cc1 8275768 HLORHBKLQMXEKN-UHFFFAOYSA-N 405.885 4.539 0 40 HJAB COc1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1Cl 8346712 WNFXWUZDLVWOQR-UHFFFAOYSA-N 409.294 4.585 0 40 HJAB CN(Cc1cc(=O)n2c3c(sc2n1)CCCC3)C(c1ccccc1)c1ccccc1 8390606 UXSJINOGBWZRMQ-UHFFFAOYSA-N 415.562 4.856 0 40 HJAB O=C1Nc2ccc(Br)cc2[C@@]12Nc1ccccc1-c1nc3ccccc3n12 9090769 KJFLMZQSTFAULI-NRFANRHFSA-N 417.266 4.545 0 40 HJAB O=C1c2ccccc2N[C@H](c2ccc(-n3cnc4ccccc43)cc2)N1C[C@H]1CCCO1 9339201 HQSLLIUVIJVRKM-NLFFAJNJSA-N 424.504 4.771 0 40 HJAB CSc1ccccc1NC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2)n1 9818708 SJYDTIRATDISRL-VAWYXSNFSA-N 409.536 4.698 0 40 HJAB Cc1cccn2cc(COc3ccc(C(=O)NCC4(c5ccccc5)CC4)cc3)nc12 10895434 BASZARFAPVDCTC-UHFFFAOYSA-N 411.505 4.683 0 40 HJAB COc1ccc(N(C)c2nnc(-c3ccc(NC(=O)c4ccco4)cc3)s2)cc1 11797099 CIDFFLRPWWNXBM-UHFFFAOYSA-N 406.467 4.827 0 40 HJAB Cc1ccccc1N1O[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]1c1cccs1 12017548 QZCDVQBDBIBHHP-HSALFYBXSA-N 424.909 4.761 0 40 HJAB CN(C)c1ccc(C2=NNC(c3ccccc3)=Nc3ccc(Br)cc32)cc1 12487080 NPPWIJKVOHFOGJ-UHFFFAOYSA-N 419.326 4.949 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)N(c4ccccc4)C(C)C)c(=O)c23)s1 12758789 BCGWQVFWXDVADL-UHFFFAOYSA-N 423.563 4.937 0 40 HJAB O=C(CSc1ccccc1F)Nc1ccnn1Cc1ccc(Br)cc1 12765114 AYMRQLJWMHPFRM-UHFFFAOYSA-N 420.307 4.564 0 40 HJAB COc1ccc(-c2nc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)sc2C)cc1 13145505 SNWGSJYBAYORPL-HXUWFJFHSA-N 424.522 4.937 0 40 HJAB Cc1cccc(-n2c(SCC(=O)NCc3cccs3)nnc2-c2ccoc2C)c1 13512555 NMXVEJSKTCSASQ-UHFFFAOYSA-N 424.551 4.614 0 40 HJAB Cc1[nH]nc(O)c1C(c1ccccc1OCc1cccc(Cl)c1)c1c(O)n[nH]c1C 14134618 JXIPHSMAHBLCCW-UHFFFAOYSA-N 424.888 4.573 0 40 HJAB Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(-c2ccc(Cl)c(Cl)c2)n1 17082139 ZDNORKSQKBMODY-UHFFFAOYSA-N 401.301 4.597 0 40 HJAB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccccc1 17089871 YVRJANNKGKXLDQ-UHFFFAOYSA-N 414.486 4.895 0 40 HJAB Cc1noc2nc([C@H]3CCCN(C(=O)Cc4ccccc4F)C3)cc(C(F)F)c12 19563956 LMYHCIKRSCEQCN-AWEZNQCLSA-N 403.404 4.557 0 40 HJAB COc1ccc(CN2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)c(OC)c1 19564336 QDCHAYJSGDNBIY-AWEZNQCLSA-N 417.456 4.866 0 40 HJAB CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4ccccc4)C2)C3)cc1 20503437 QYRWDYKYRUSFSO-PZJWPPBQSA-N 402.563 4.857 0 40 HJAB biogenic,in-vitro Cc1cc2nc(Nc3nc(C)c(Cc4cccc(Cl)c4)c(=O)[nH]3)nc(C)c2cc1C 20797981 JIFOKSMBSYTWPP-UHFFFAOYSA-N 419.916 4.935 0 40 HJAB O=S(=O)(/C=C/c1ccccc1)N(Cc1coc(-c2ccccc2)n1)Cc1ccco1 21298865 QCWILVQKCNVWQH-FYWRMAATSA-N 420.490 4.938 0 40 HJAB COc1ccc(-c2nc(CSc3nc4ccccc4n4c(C)nnc34)c(C)o2)cc1 21658054 SHJKBHLUASJAOI-UHFFFAOYSA-N 417.494 4.850 0 40 HJAB COc1ccccc1-c1cc(NC(=O)COc2ccccc2C)n(-c2ccccc2)n1 21944930 OPBBOEXOHJQORA-UHFFFAOYSA-N 413.477 4.874 0 40 HJAB CCCN(Cc1nc(-c2ccc(C)cc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22256926 GWOLFNVEADQMTD-UHFFFAOYSA-N 413.543 4.769 0 40 HJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 22533462 QQQXBQYUWIDWKO-OAQYLSRUSA-N 400.950 4.771 0 40 HJAB Cc1ccc2cc(C(=O)Nc3cccc(S(=O)(=O)C4CCCC4)c3)c(C)nc2c1 25140096 DTXBTRAMLPYTQH-UHFFFAOYSA-N 408.523 4.820 0 40 HJAB CC(C)c1ccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 30955120 WGBDKIXLJBGMKW-UHFFFAOYSA-N 404.514 4.711 0 40 HJAB Cc1cc(C)cc(-n2ncc3c2N=C(O)C[C@]32C(=O)Nc3ccc(C(C)C)cc32)c1 32103633 QYVIXFXTSQHOOX-XMMPIXPASA-N 400.482 4.842 0 40 HJAB O=C(Nc1nc(-c2ccc(Br)s2)ns1)c1ccc(Cl)cc1 32593566 KEMNKEZZJXVDSD-UHFFFAOYSA-N 400.710 4.935 0 40 HJAB Cc1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c3oc3ccccc34)C2)cc1C 33169570 AVRLEJXBRIYORF-KRWDZBQOSA-N 400.482 4.848 0 40 HJAB CCN(CC)c1ccc(CNC(=O)Nc2ccc(Oc3cccc(F)c3)nc2)cn1 40121164 OCMWMGXEGJJGIO-UHFFFAOYSA-N 409.465 4.576 0 40 HJAB Cc1nc(-c2cccs2)sc1C(=O)N[C@H]1CCCc2c1cnn2C(C)(C)C 40150207 MVVLIYNPXFIIDT-AWEZNQCLSA-N 400.573 4.939 0 40 HJAB COc1ccc(Cl)cc1C(=O)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 41125416 IWMNEZOMAZGNLT-HXUWFJFHSA-N 423.896 4.834 0 40 HJAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)o1 48260992 XQIREKVYCABCFS-RDTXWAMCSA-N 401.453 4.735 0 40 HJAB Cc1ccc(C)c(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)CC2)c1 57380097 BTAFRJKTPSXZPM-QHGPSCLWSA-N 422.613 4.740 0 40 HJAB biogenic CC1=C2C[C@@H]3[C@@H](CN4CCN(c5cccc(C)c5)[C@@H](C)C4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 61997585 LIJUVLVUENDGRW-HNWBOLROSA-N 422.613 4.964 0 40 HJAB biogenic Cc1cc(Br)ccc1NC(=O)[C@H](C)n1c(-c2cccs2)n[nH]c1=S 64334681 JRUJEDOWMKBTCE-JTQLQIEISA-N 423.361 4.940 0 40 HJAB CCN(c1ccsc1C(=O)N[C@@H]1CCCC[C@@H]1C)S(=O)(=O)c1ccc(C)cc1 67245670 ZVZHTHCMYIYRAK-FUHWJXTLSA-N 420.600 4.580 0 40 HJAB CCc1nnsc1C(=O)N1CCC[C@@H](c2cc(Cc3ccccc3C)cc(C)n2)C1 72354187 IEAXXEOAULPPHD-HXUWFJFHSA-N 420.582 4.723 0 40 HJAB COCc1nc(NC[C@H](O)c2ccc(OC)cc2)c2c(-c3ccccc3)csc2n1 95957744 MEGFWIPRRMVAOU-IBGZPJMESA-N 421.522 4.659 0 40 HJAB COCc1nc(NC[C@@H](O)c2ccc(OC)cc2)c2c(-c3ccccc3)csc2n1 95957745 MEGFWIPRRMVAOU-LJQANCHMSA-N 421.522 4.659 0 40 HJAB COc1ccc(-c2nnc(SCCCNc3ncccn3)c3ccccc23)cc1 96006389 HZAMFWWSKRRLLK-UHFFFAOYSA-N 403.511 4.690 0 40 HJAB CSc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1 96117740 ICPMPYFLXGEICV-YOEHRIQHSA-N 403.573 4.915 0 40 HJAB CCSC1=NC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)N=C1c1ccccc1 96399282 YUZQIGLFVVOOQP-UHFFFAOYSA-N 406.555 4.974 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 98072930 AKJJEAVLTGWNII-UHFFFAOYSA-N 408.239 4.886 0 40 HJAB CC(C)(C)C(=O)N[C@@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)[C@@H]2CC=CCC2)CC1 100223455 ZTIVXWUJYHWWEH-FCGDIQPGSA-N 417.619 4.625 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(Br)cc1 100444726 SBXZAPTUPSGTIR-UHFFFAOYSA-N 401.304 4.718 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219322540 PHAYSUYDYZXVOR-OAHLLOKOSA-N 406.269 4.517 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccc2Cl)c1 223093599 CFWCDVZFEGERFK-MOSHPQCFSA-N 410.926 4.797 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223798785 MTLIVGPWNCIYOO-GOSISDBHSA-N 412.549 4.609 0 40 HJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSc1ccccc1 224032790 VTOOKHGJYMSPHH-QFIPXVFZSA-N 412.599 4.545 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 225153212 UTBQNJGZQZPMID-XMMPIXPASA-N 424.585 4.796 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)Nc3c(C)cccc3C)cc2)cc1 225983818 PYDSCSWBGKURHF-UHFFFAOYSA-N 422.550 4.618 0 40 HJAB CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)C=C[C@@H](c4ccccc4)[C@H]3C2=O)cc1 239402601 QVHCBIHNSPQTPJ-QEGGNFSNSA-N 423.512 5.328 0 40 HJAB CCCn1cc(CCC(=O)N(CCCc2ccccc2)CC(=O)O)c2ccccc21 257261051 LFNGNIVORUVDCQ-UHFFFAOYSA-N 406.526 4.530 0 40 HJAB CC(C)CC(=O)N[C@@H](C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 518962531 ZMALOCZYHQOJNI-HRAATJIYSA-N 420.475 4.656 0 40 HJAB COc1ccc(-c2nc3ccccc3nc2-c2ccc(OC)c(OC)c2)cc1OC 890045 ZYDVVBOBRYOSGF-UHFFFAOYSA-N 402.450 4.998 0 40 HJAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3OC)c2C(N)=O)C1 996671 WPYPNPXIZKRUTR-CYBMUJFWSA-N 400.544 4.649 0 40 HJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 3041249 GUUBAVWKXVLQSF-UHFFFAOYSA-N 422.790 4.701 0 40 HJAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1Cl 3202981 BRVIWMLFQANUJH-UHFFFAOYSA-N 408.951 4.746 0 40 HJAB C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)N[C@@H]1CCCc2ccccc21 3356421 VUNRUCXGKWNVBN-RDTXWAMCSA-N 416.616 4.957 0 40 HJAB CC(C)Cn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccccc1F 3506845 DZSMSBJFUGKBAI-MRXNPFEDSA-N 412.534 4.710 0 40 HJAB COc1cccc(CN(C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 3584147 FQZCHANAEYQATI-UHFFFAOYSA-N 404.466 4.674 0 40 HJAB CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(OC)cc3)sc2c1 4682099 CTLFGHYFMBRDPR-UHFFFAOYSA-N 415.540 4.774 0 40 HJAB CCc1cc2cc(C)cc(C)c2nc1SCC(=O)NCc1ccc2c(c1)OCO2 4849497 GJLJMCSOBDYYSJ-UHFFFAOYSA-N 408.523 4.551 0 40 HJAB Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1Cc1cccs1 5112011 LGRPLUSBJSZCKZ-UHFFFAOYSA-N 406.511 4.766 0 40 HJAB O=C1[C@H](c2ccsc2)N(c2ccc(Cl)cc2)C(=O)CN1c1ccccc1F 5484053 JWRRHUQQQOKAGZ-IBGZPJMESA-N 400.862 4.662 0 40 HJAB O=c1[nH]ncc(NN=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)c1Cl 6143397 LWKZLOHZMFBJPX-UHFFFAOYSA-N 423.687 4.755 0 40 HJAB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccccc1-c1ccccc1 6169295 GOKMWTDLHYQMFK-UHFFFAOYSA-N 419.550 4.585 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)c(C)c1 6234999 JBDRGMDOFHOZPE-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(F)c(F)cc3Cl)n2)cc1 6905590 BHNBFPRDJWDXDO-UHFFFAOYSA-N 407.829 4.952 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 6949945 PVSAOIKMCYHCGS-LICLKQGHSA-N 414.571 4.667 0 40 HJAB CCOc1cc(C[C@@H]2SC(=O)N(CC(C)C)C2=O)ccc1OCc1ccccc1 6961544 BXHNJKWFXLZDLS-NRFANRHFSA-N 413.539 4.927 0 40 HJAB Cc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(C)n1-c1nccs1 7113030 VLANDPQEGNTNIF-FQEVSTJZSA-N 404.495 4.910 0 40 HJAB CC(C)C(=O)Nc1ccc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 8039431 BWLWSQPDLZYURO-UHFFFAOYSA-N 420.538 4.714 0 40 HJAB O=C(NCc1ccccc1Cl)c1ccc(C(=O)NCc2ccccc2Cl)cc1 8267770 VXSJPHVAKOFBIY-UHFFFAOYSA-N 413.304 4.853 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](Nc1ccc2c(c1)OCCCO2)c1ccccc1 8346301 MOZXUAGEBCPJNP-XMMPIXPASA-N 418.493 4.957 0 40 HJAB COc1ccc(-c2c(C)nn3c(C(F)(F)F)cc(C(F)(F)F)nc23)cc1OC 8569768 JLNGDVWUNURTLM-UHFFFAOYSA-N 405.298 4.760 0 40 HJAB CCc1sc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc1-c1ccccc1 8782428 LIPVIPQZZNZGIR-HNNXBMFYSA-N 409.486 4.503 0 40 HJAB COc1ccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@H]4c2ccccc2)cc1 9192070 PVEJPBSHLJODER-OAQYLSRUSA-N 422.444 4.791 0 40 HJAB Cn1c2ccc(Br)cc2c2nnc(SCc3ccc(F)cc3)nc21 9261923 QLAQVANSJSGKQM-UHFFFAOYSA-N 403.280 4.710 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3c(F)cccc3F)ccc2C)cc1 10359379 PMILOTHERQPPJC-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB O=C(Cc1csc(SCC(=O)c2ccccc2)n1)NCc1ccc(Cl)cc1 12444142 DJUSDGNRECSNGB-UHFFFAOYSA-N 416.955 4.630 0 40 HJAB COc1cc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc(OC)c1 12742782 HWDNINMVXVKPAU-UHFFFAOYSA-N 413.477 4.868 0 40 HJAB COc1cc(OC)c(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)cc1Cl 12805864 DECGDULPNZNYAS-GFCCVEGCSA-N 419.934 4.598 0 40 HJAB COc1cc(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)c(OC)cc1Cl 12809341 KHDRTALMPJWVRG-GFCCVEGCSA-N 419.934 4.598 0 40 HJAB O=C(c1ccc(Br)cc1F)N1CCC(CCc2ccc(O)cc2)CC1 12922575 BDILVDVBIAIHLB-UHFFFAOYSA-N 406.295 4.779 0 40 HJAB CCn1c(-c2ccc(Cl)cc2)nn(CN(C)Cc2ccc(OC)cc2)c1=S 13072637 ZAPJODIGMYFOCF-UHFFFAOYSA-N 402.951 4.852 0 40 HJAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)cc1 13871293 CPEPLKMECIRFHQ-QGZVFWFLSA-N 424.570 4.865 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2C)cc1 14082990 IFLSZOAAINQJKP-UHFFFAOYSA-N 423.325 4.528 0 40 HJAB Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(F)cc3)c2-c2ccccc2C)cc1 16311682 ZBZSSUNBJGHDEI-UHFFFAOYSA-N 410.456 4.938 0 40 HJAB CCC(=O)N1N=C(c2ccccc2)Sc2c1nc(-c1ccccc1)n2C(=O)CC 16777582 MMMKKLPXCQBISK-UHFFFAOYSA-N 404.495 4.811 0 40 HJAB CCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C 17088336 WTDQCTOFAVQTLN-UHFFFAOYSA-N 409.559 4.856 0 40 HJAB COc1ccccc1CN1CCC([C@@H](NC(=O)c2cccs2)c2ccccn2)CC1 19570114 OZDLDOSNHMVPSK-HSZRJFAPSA-N 421.566 4.535 0 40 HJAB Cc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)c1 20528551 UAAKOLWEVFBBDE-UHFFFAOYSA-N 413.949 4.595 0 40 HJAB COc1cccc(NC(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)c1 20541119 ZAKMRVAORIGZTD-UHFFFAOYSA-N 402.857 4.993 0 40 HJAB Cc1cc(C(=O)Nc2ccnn2Cc2ccc(C(C)(C)C)cc2)c2c(C)noc2n1 22138947 GKHNBYUPUQBEBU-UHFFFAOYSA-N 403.486 4.634 0 40 HJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 23740021 AGBSLMYIDBUQQQ-OAQYLSRUSA-N 409.530 4.601 0 40 HJAB CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c1 30943493 XZJBLIKRWFYBET-INIZCTEOSA-N 420.340 4.803 0 40 HJAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N(Cc1c(F)cccc1Cl)C1CC1 32880006 OJZLHCUNBLILNI-SFHVURJKSA-N 403.881 4.842 0 40 HJAB COCCCn1c(SCc2ccccc2)nc2c(-c3ccccc3)cn(C)c2c1=O 33267939 NZVDJCMOIQBYBE-UHFFFAOYSA-N 419.550 4.731 0 40 HJAB O=C(CSc1nc(-c2ccccc2)nc2ccccc12)NCc1ccc(F)cc1 35314840 HXZVQSMRWORNBG-UHFFFAOYSA-N 403.482 4.844 0 40 HJAB C[C@H]1CCCC[C@H]1N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)n2c1nc1ccccc12 39964061 RKURYZYBBQHUCF-NYSBEXSLSA-N 420.488 4.671 0 40 HJAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCCc4c(F)cc(F)cc43)c12 48301765 CZFAWSPWCUGRGI-UHFFFAOYSA-N 418.447 4.815 0 40 HJAB Cc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(Cl)cc1 59502208 XDOIPEQJYKBTTA-UHFFFAOYSA-N 404.853 4.549 0 40 HJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)c(F)c3)oc12 67295899 QFENKCGHYYVPMP-CLCOLTQESA-N 413.405 4.661 0 40 HJAB O=C1Cc2cc(C(=O)NCc3ccc(-c4nc5ccccc5s4)o3)c(Cl)cc2N1 72301472 ZOJBOWCVDJQKCA-UHFFFAOYSA-N 423.881 4.634 0 40 HJAB C[C@@H](NC(=S)NC(=O)c1cc(Br)ccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102203024 QYABROLKQQINBV-MPPDQPJWSA-N 415.784 4.532 0 40 HJAB O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1Cc1ccc(F)cc1 214255335 GTWGYESNEDBBDH-OVCLIPMQSA-N 410.239 4.964 0 40 HJAB CCn1c(Cl)nc2cc(C(=O)N(C)Cc3cccn3-c3ccc(OC)cc3)ccc21 222560396 RJXGGPBXDRHYDQ-UHFFFAOYSA-N 422.916 4.781 0 40 HJAB CCCCc1ccc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 222571073 KQERAPMRLDOTSV-UHFFFAOYSA-N 416.587 4.831 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 224196973 SACAFNLWDYTZJK-HSZRJFAPSA-N 410.533 4.543 0 40 HJAB COc1ccc(CNC(=O)c2ccc(OC)c(COc3ccc(C)c(C)c3)c2)cc1 224286455 YTAQKIKFCJPENR-UHFFFAOYSA-N 405.494 4.830 0 40 HJAB Cc1ccc(SCCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)cc1 225575890 OLLLVHOLDXDVIE-GOSISDBHSA-N 416.562 4.558 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 225881582 CFGZAXKOWGZSJO-JOCHJYFZSA-N 408.542 4.890 0 40 HJAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)cc2N1 248151435 BNYNCHGSLWBOGM-MXSMSXNCSA-N 424.511 4.889 0 40 HJAB O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@@H](Cc2cccc3cccnc23)CC1 257230317 GBSDVZDSLQFCLG-OAQYLSRUSA-N 424.548 4.965 0 40 HJAB CCOc1ccccc1-c1nc(SCC(=O)Nc2cccc3ccccc23)n[nH]1 408527299 LVYBICKTRSEWQM-UHFFFAOYSA-N 404.495 4.754 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C(=O)NC1CCCCC1 408552575 RAIXECFNNJDYQG-UHFFFAOYSA-N 420.962 4.820 0 40 HJAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccccc3Cl)sc2n1 408626155 ZNYNOHHMMQCIHV-UHFFFAOYSA-N 404.948 4.919 0 40 HJAB Cc1nc(S/C(=C\c2c(C)n(Cc3ccccc3F)c3ccccc23)C(=O)O)n[nH]1 409191409 GSMUXDDJZQIAOJ-JAIQZWGSSA-N 422.485 4.781 0 40 HJAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1OC 409247785 NVJFKNNPZFWBDE-PILJQMSFSA-N 413.923 4.599 0 40 HJAB O=C(O)CCc1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 685945095 UKMIRIYZVGARDE-UHFFFAOYSA-N 401.462 4.743 0 40 HJAB C[C@]1(c2ccccc2)CC[C@H](N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)C1 1615055771 OQYOQTVVCCBVID-MZKRTTBSSA-N 416.487 4.906 0 40 HJAB C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2cc3ccc(C(F)(F)F)cc3nc2O)C1 1639922281 ZHOXUFZMOOWLSH-OAQYLSRUSA-N 418.390 4.902 0 40 HJAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1 641439 WHSMXVZFFNCBRB-UHFFFAOYSA-N 421.909 4.770 0 40 HJAB CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccc(C(C)(C)C)cc1 2463419 MRKDQAIPKLSDRN-FUHWJXTLSA-N 400.544 4.586 0 40 HJAB Cc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5O)CC4)c23)cc1 2701341 XECGRNUQFTZTKC-UHFFFAOYSA-N 402.523 4.699 0 40 HJAB Cc1ccc(-n2c(SCc3nnc4n3CCCCC4)nnc2-c2ccccc2)cc1 3242386 RTUNPPRZOXMKBU-UHFFFAOYSA-N 416.554 4.853 0 40 HJAB O=C(COc1ccc2c(=O)c(-c3ccc(F)cc3)coc2c1)Nc1ccc(F)cc1 3251568 WQQPVWAZWWNSKO-UHFFFAOYSA-N 407.372 4.756 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2-c2ccc(C)cc2)cc1 3286449 CNOPLFANXHIAHZ-UHFFFAOYSA-N 418.522 4.553 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)Nc1nc2c(s1)CCCC2 3358517 FHGPXEOIFHWRCQ-ZHACJKMWSA-N 416.909 4.960 0 40 HJAB Cc1ccccc1-n1nc2c(c1NC(=O)c1cccc(Br)c1)CSC2 4175962 FLHHPVOQAUWSBB-UHFFFAOYSA-N 414.328 4.942 0 40 HJAB CC(C)(C)C(=O)NCCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1 5546003 VWTQTOHWFMLGCN-UHFFFAOYSA-N 413.949 4.864 0 40 HJAB CC[C@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 5557532 ZSYGHBADRJNZOU-AWEZNQCLSA-N 412.917 4.757 0 40 HJAB O=C1N(c2ccccc2)C(=O)[C@]2(SC=NN2Cc2ccccc2)N1c1ccccc1 5889828 SYNKJCGMHUAQMQ-HSZRJFAPSA-N 414.490 4.506 0 40 HJAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(OCCC(C)C)cc2)NC(=S)N1 6307971 YBDYBKHVBHTHOF-QFIPXVFZSA-N 424.566 4.648 0 40 HJAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1 6625575 LOWNWPYWRVCQGQ-UHFFFAOYSA-N 416.502 4.917 0 40 HJAB CC1=C([C@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)CC[C@@H]2C1=C[C@@H]1[C@@H]2CC=C2C[C@@H](O)CC[C@@]21C 8298807 MNUNKCHZNVYRDJ-ZYYNRZNYSA-N 411.630 4.762 0 40 HJAB in-vitro Cc1nnc(SCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)n1C1CC1 9057934 REFKLOFNPDNOIS-FQEVSTJZSA-N 412.946 4.573 0 40 HJAB CCc1nc2ccccc2n1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 9377160 CNAZFLRECGFNLO-MRXNPFEDSA-N 404.539 4.615 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2c(oc3ccccc32)c1=O 9752219 GJXGDNBGLCCMHP-UHFFFAOYSA-N 407.495 4.510 0 40 HJAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccccc4F)cc3C[C@H]2C)cc1 10326632 SUBYXPGHJAOKGW-MRXNPFEDSA-N 424.497 4.526 0 40 HJAB COc1ccc(NC(=O)c2c(C)nc(-c3cccs3)nc2SC)c(OC)c1 12820008 IULKZNFOWIROLO-UHFFFAOYSA-N 401.513 4.505 0 40 HJAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccco4)C3)cc2)c1 12890938 UMMAGYVJYGWXOC-GOSISDBHSA-N 404.466 4.871 0 40 HJAB CC(=O)c1ccc(C(=O)N[C@@H](C)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)s1 12932094 ZJFMCZWVMBWNBC-NSHDSACASA-N 421.444 4.955 0 40 HJAB O=S(=O)(c1ccccc1Br)N1CCC[C@H]1c1nc2ccccc2s1 12984884 MFZGFYKAXWIXOB-AWEZNQCLSA-N 423.357 4.585 0 40 HJAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(Cc1cccnc1)C3=O 13217742 FIHNCQPUURIXNW-NRFANRHFSA-N 414.436 4.689 0 40 HJAB CCOc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)CC(C)C)cc1 13758504 PAUOFAOITSQBAN-UHFFFAOYSA-N 408.498 4.515 0 40 HJAB O=C(Nc1cccc(Cl)c1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 15413794 ADOVLJJOWJCDBV-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB Cc1sc2nc(SCc3ccc(C(N)=O)cc3)n(C3CCCC3)c(=O)c2c1C 16114161 JKSDKTYBOKBOGV-UHFFFAOYSA-N 413.568 4.581 0 40 HJAB COc1ccccc1NC(=O)c1sc(=S)n(-c2cc(Cl)ccc2OC)c1N 16973829 GKJGNOMSPKXNRL-UHFFFAOYSA-N 421.931 4.773 0 40 HJAB Cc1cc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)c2ccc(F)c(Cl)c2)on1 19121390 LXEMLLPTEMPRPN-KRWDZBQOSA-N 402.857 4.543 0 40 HJAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 19400394 PJHFWGMEHOOMOW-GBXCKJPGSA-N 423.532 4.511 0 40 HJAB CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)[C@H]4CC45CCC5)CC3)noc2n1 19522035 YWOGEQHATIGNPJ-OAHLLOKOSA-N 407.436 4.700 0 40 HJAB O=C1CCCC[C@@H]2[C@H](CCN2C(=O)c2cc3ccccc3o2)N1Cc1ccccc1 19713958 OXKYSDPWUHOQDW-RTWAWAEBSA-N 402.494 4.619 0 40 HJAB CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1OCC 20048006 TVOIZTARULRSCU-QGZVFWFLSA-N 412.530 4.584 0 40 HJAB Cc1ccc(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 20486883 PVBPKMKPLVBVBK-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB CN(Cc1ccccc1N1CCOCC1)C(=O)CCc1ccc(-c2ccccc2F)o1 21962878 WNZKLAHAJCTAIM-UHFFFAOYSA-N 422.500 4.514 0 40 HJAB CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 22410921 IHYWVXAFNHLPLL-MRXNPFEDSA-N 420.962 4.503 0 40 HJAB Oc1c([C@@H](c2ccccc2)N2CCC(Cc3ccccc3)CC2)sc2ncnn12 22609149 YKMMFBNIDUBHNU-HXUWFJFHSA-N 404.539 4.541 0 40 HJAB Cc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)nc12 24978007 CDQOJYRDJLIXPR-UHFFFAOYSA-N 423.519 4.658 0 40 HJAB O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 25868616 SPDNGAVOJSGBDZ-UHFFFAOYSA-N 421.722 4.593 0 40 HJAB COc1cc(OC)c(NC(=O)c2c3c(nn2-c2ccccc2)CCCC3)cc1Cl 32814678 IPVBWMDJXXWRRG-UHFFFAOYSA-N 411.889 4.674 0 40 HJAB COc1ccc(-c2nc3c(C)cccn3c2NCc2ccc3c(c2)OCO3)cc1OC 35315189 IZNSQIJSIWSSPH-UHFFFAOYSA-N 417.465 4.668 0 40 HJAB Cc1ncsc1C(=O)N1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 36752125 NZFYDNBYLAKNTI-UHFFFAOYSA-N 409.458 4.792 0 40 HJAB CCc1cccc(C)c1NC(=O)Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O 38486545 KBWVLVKBKSZJCD-UHFFFAOYSA-N 421.497 4.774 0 40 HJAB O=C(Cn1c(=O)oc2ccccc21)Nc1sccc1-c1nc2ccccc2s1 38493098 GRMGCELSLYMXEH-UHFFFAOYSA-N 407.476 4.571 0 40 HJAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 38855171 WVBDWYJDVXQJES-IBGZPJMESA-N 407.558 4.557 0 40 HJAB Cc1c(NC(=O)c2ccccc2N(C)c2ccccc2)c(=O)n(-c2ccccc2)n1C 40119738 BZWNRUMAGWMMMU-UHFFFAOYSA-N 412.493 4.505 0 40 HJAB O=C(Oc1ccccc1)N1CCC(CNC(=O)C2(c3cccs3)CCCC2)CC1 43983605 TVMCHYOELQJJEE-UHFFFAOYSA-N 412.555 4.587 0 40 HJAB Cc1ccccc1OC[C@@H](C)NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 44852595 WLLMAPLWUHCYSV-QGZVFWFLSA-N 418.940 4.583 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C3CCCCC3)ccc2C)cc1 44900191 GXTXOXJCQXNZGB-UHFFFAOYSA-N 400.544 4.509 0 40 HJAB Cc1ccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 44908888 PGROGBNACNUSPJ-UHFFFAOYSA-N 421.368 4.709 0 40 HJAB CC(=O)CCc1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 58096883 NMASUWCYBXSAQE-UHFFFAOYSA-N 401.506 4.816 0 40 HJAB COc1cccc(Cn2c(SCc3ccccc3F)nc3ccccc3c2=O)c1 67258774 MOSCOJNKPOIBBZ-UHFFFAOYSA-N 406.482 4.885 0 40 HJAB C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@H]4[C@H](C[C@@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1 70707863 NEMWYOKGHGSVSC-PKZDXRACSA-N 415.662 4.563 0 40 HJAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N(Cc3ccccc3)C(=O)N1CC2 72342025 HVHZVHOZTWWMRW-DEOSSOPVSA-N 400.478 4.792 0 40 HJAB COc1cccc(Cc2cccc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)n2)c1 72349610 PSRXPYHUKFBUHU-UHFFFAOYSA-N 418.512 4.769 0 40 HJAB COc1cc(Br)cc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1ccc(C)cc1 101148174 KVSMBNVRPLHWLA-HNAYVOBHSA-N 403.276 4.536 0 40 HJAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccccc3Cl)o2)c1 216034421 MMENGTGYRZHIKX-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCS[C@H](c2ccccc2F)CC1 219155848 IIQZYQVXDNUENA-KRWDZBQOSA-N 419.465 4.713 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 223062543 SYRWOPVHYGTUQN-HXUWFJFHSA-N 418.990 4.684 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(C)C)c2)cc1 224040973 KQOQCOGVUUHRHE-UHFFFAOYSA-N 424.522 4.872 0 40 HJAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 224944070 GVKJUMRRTSZQRX-UHFFFAOYSA-N 416.326 4.694 0 40 HJAB CCOC(=O)c1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)ccc1Cl 225289849 HKGSCSUXZQZUBG-UHFFFAOYSA-N 411.889 4.631 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 225547200 ZTKCQURAEYUDDN-GMAHTHKFSA-N 424.585 4.713 0 40 HJAB COC(=O)c1ccc(C)c(NC(=S)NCCCSCc2ccccc2C)c1 225600818 PFYVYCUMVFPVEE-UHFFFAOYSA-N 402.585 4.700 0 40 HJAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN([C@H](C)Cc4ccc(F)cc4)C3)cc2n1 252077228 CZBRAZBQHFURHJ-GDBMZVCRSA-N 420.454 4.870 0 40 HJAB CCCCC(=O)N1CCC[C@@H]1c1nc(CCc2ccc(F)cc2)c(C(=O)O)s1 257241393 HXXBZFRGMQBDGO-QGZVFWFLSA-N 404.507 4.619 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1C1CCCC1 260927166 YOZYDRGELFCJFP-WTIAFYNJSA-N 424.614 4.767 0 40 HJAB COc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)c2cccc(F)c2)cc1 408627546 OCALZVYJFFIZSI-UHFFFAOYSA-N 405.878 4.883 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)NCC(c3ccccc3)c3ccccc3)CC2=O)cc1C 408706907 DYSVKMPKSGQXME-HSZRJFAPSA-N 412.533 4.605 0 40 HJAB CC(C)Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(C)(C)OC3 688864 XLGPLNYYRVDOHP-UHFFFAOYSA-N 400.569 4.858 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3ncnn32)cc1OC 803092 UYHGBEIZHCDFHG-JKSUJKDBSA-N 405.285 4.748 0 40 HJAB Cc1ccc(S(=O)(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCCC2)cc1 913689 CDWXRMLXXKROGJ-UHFFFAOYSA-N 424.566 4.669 0 40 HJAB C[C@@H]1CCc2c(sc3ncn4c(SCC(=O)c5ccccc5F)nnc4c23)C1 929644 URYLUMNQVSZWRM-LLVKDONJSA-N 412.515 4.578 0 40 HJAB Cc1ccc(-n2c(C)nc3c(Br)cc(Br)cc3c2=O)cc1 1010644 CYEDOHHBACFTJH-UHFFFAOYSA-N 408.093 4.528 0 40 HJAB CCOc1ccccc1C(=O)NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F 1044158 NIDLZKLXUXJNJF-UHFFFAOYSA-N 406.326 4.748 0 40 HJAB CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4cccc(F)c4)nc3C2)cc1 2380741 QPHDHDRNIAEWKP-GOSISDBHSA-N 403.457 4.904 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2Cc2ccco2)c1 2444508 LMMWURNKAXQLTR-UHFFFAOYSA-N 422.485 4.765 0 40 HJAB COc1ccc(C(=O)Nc2nc(-c3cccs3)c(C(=O)C(F)(F)F)s2)cc1 3242519 HKTBNTSGBZYPSQ-UHFFFAOYSA-N 412.414 4.878 0 40 HJAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ncc(Cl)cc1Cl 3260597 CZVOSHLVSPCXNF-UHFFFAOYSA-N 411.260 4.521 0 40 HJAB O=C(OCc1csc(-c2ccccc2)n1)c1ccc(I)cc1 3278606 KYAYOVLRIWCQRH-UHFFFAOYSA-N 421.259 4.772 0 40 HJAB O=S(=O)(Nc1nc2ccccc2nc1NC1CCCC1)c1ccc(Cl)s1 3289813 RJZVDQFWJKCEBB-UHFFFAOYSA-N 408.936 4.500 0 40 HJAB Cc1ccc(NC(=O)c2cccc(I)c2)c(Br)c1 3603698 MMQXYWWPNQOSAJ-UHFFFAOYSA-N 416.056 4.614 0 40 HJAB COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)c2cccs2)cc1 4142161 BVQXTGXJFDJQDB-LJQANCHMSA-N 422.506 4.765 0 40 HJAB Cc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc(Cl)c3C)nn2)s1 4358398 GMVPAQNZLQQJJK-UHFFFAOYSA-N 404.948 4.910 0 40 HJAB C[C@H]1CCN(C(=O)CSc2nnc(C3CC3)n2C2CC2)c2ccccc2S1 5401277 SNQRKRNORJZDOT-ZDUSSCGKSA-N 400.573 4.500 0 40 HJAB O=C(CSc1nc(-c2ccccc2O)n[nH]1)N(c1ccccc1)c1ccccc1 5522875 HOJQKKCDAUHHIC-UHFFFAOYSA-N 402.479 4.634 0 40 HJAB CC[C@@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 5557530 ZSYGHBADRJNZOU-CQSZACIVSA-N 412.917 4.757 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)OC(C)C)n2-c2ccc(Cl)cc2)cc1 5701626 FSXAYPSOVDKREU-UHFFFAOYSA-N 417.918 4.640 0 40 HJAB CCOC(=O)Cc1csc(NC(=O)c2cc3sc4ccccc4c3s2)n1 5788495 ZOJVMDJSFIXELE-UHFFFAOYSA-N 402.522 4.930 0 40 HJAB CC(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1 6365059 WNYIFWUQHMVWNK-GIJQJNRQSA-N 416.449 4.763 0 40 HJAB O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCc2ccccc2C1 6496388 BLMHFKJPWAWPAV-MFWYUJQYSA-N 417.593 4.952 0 40 HJAB CCCCCC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 6709775 FAZPSZLAEUAIPC-UHFFFAOYSA-N 403.935 4.986 0 40 HJAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nncn2-c2ccccc2)c1 6983971 DSCMNNMOJHJLPU-UHFFFAOYSA-N 414.534 4.901 0 40 HJAB c1ccc(-c2noc(CSc3nnc(N4CCCCC4)n3-c3ccccc3)n2)cc1 7072241 USFCXIQZVXDVBJ-UHFFFAOYSA-N 418.526 4.600 0 40 HJAB O=C(c1cccs1)N(CCCn1ccnc1)c1nc2ccc(Cl)cc2s1 7424627 CSTKHAIVSZHZNW-UHFFFAOYSA-N 402.932 4.945 0 40 HJAB COc1ccc(NC(=O)c2cc3c(N4CCCCC4)nc(SC)nc3s2)cc1 7604209 ZPLVDDLTRJQSIS-UHFFFAOYSA-N 414.556 4.664 0 40 HJAB CCC[C@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 7777479 MPPYNYYZFKWOLL-QFIPXVFZSA-N 402.494 4.975 0 40 HJAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)COc1ccc(Br)cc1Cl)C2 7989670 LQXUXTBFWOJPLA-MZKGEVEHSA-N 400.744 4.812 0 40 HJAB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cccc(Oc2ccccc2)c1 8187213 MMKDCLWZLJRFPP-OAQYLSRUSA-N 416.477 4.640 0 40 HJAB c1ccc([C@@H]2Sc3nnc([C@@H]4CCCO4)n3N=C2c2c[nH]c3ccccc23)cc1 8278807 HOKONEQXAMFALV-ICSRJNTNSA-N 401.495 4.710 0 40 HJAB CCOc1cc(C=O)ccc1OCCCSc1nnc(-c2ccccc2)n1CC 8731795 HBNRKNIBYNFSDJ-UHFFFAOYSA-N 411.527 4.737 0 40 HJAB CC(C)CCN1C(=O)CCc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 9164686 ACZQPQPPQNPACI-UHFFFAOYSA-N 400.906 4.683 0 40 HJAB CC(=O)c1cccc(S(=O)(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)c1 9254305 HHLDNHBWYVZFQO-FQEVSTJZSA-N 424.547 4.542 0 40 HJAB Cc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)S(=O)(=O)c2ccccc2)c1 9448287 WOLADPBVOAACHI-UHFFFAOYSA-N 418.518 4.540 0 40 HJAB CCCN(CC(=O)Nc1ccccc1C)C(=O)NCCCO[C@@H](C)c1ccccc1 9460103 XMGOBNXLQNXVTE-FQEVSTJZSA-N 411.546 4.523 0 40 HJAB C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1 9632865 YOAQALQFZLBHPL-INIZCTEOSA-N 420.563 4.965 0 40 HJAB O[C@@H](CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)c1ccccc1 10411710 ISVBUTFYZJPHED-NRFANRHFSA-N 405.498 4.958 0 40 HJAB Cc1nn(C[C@@H](O)Cn2c(C)c(C)c3cccc(Cl)c32)c(C)c1Br 11027324 VRIUSDFCVHWIPP-AWEZNQCLSA-N 410.743 4.548 0 40 HJAB COc1ccc(-c2nc(C(=O)Nc3cc(Cl)c(OC)cc3OC)cs2)cc1 11603769 WDIJUWAZYOVDNM-UHFFFAOYSA-N 404.875 4.742 0 40 HJAB CCCCOc1ccc(-c2nonc2NC(=O)COc2ccccc2Cl)cc1 11914150 ZVNIOQYMTXGYPF-UHFFFAOYSA-N 401.850 4.586 0 40 HJAB CCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(Br)cc1 11917113 REAKEBSTJMGNOS-UHFFFAOYSA-N 402.248 4.540 0 40 HJAB CCCCOc1ccc(NCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)cc1 12148007 BZVSRIDBNOMWPC-UHFFFAOYSA-N 402.498 4.813 0 40 HJAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H]1CCCN1C(=O)c1cccs1 12525557 LGLRMAYNCZWCOX-IBGZPJMESA-N 416.506 4.535 0 40 HJAB O=C(Nc1ccnn1Cc1cc(Br)cs1)c1ccc2ncsc2c1 13022993 XEKZGLXCXIJJLA-UHFFFAOYSA-N 419.329 4.617 0 40 HJAB Cc1ccc(OC(F)F)c(C(=O)CSCc2nc3sc(C)c(C)c3c(=O)[nH]2)c1 13109960 RUMWLPLRMKXFOT-UHFFFAOYSA-N 424.494 4.627 0 40 HJAB CCCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2cccc(C)c2)c2ccccc21 13509896 UQFAHHKPQZTZPP-XLNRJJMWSA-N 421.500 4.991 0 40 HJAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)Nc1ccc2[nH]ccc2c1 13729604 CKZRNBZPOMRBQR-UHFFFAOYSA-N 410.429 4.959 0 40 HJAB biogenic COc1cc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc(Cl)c1OC 15641349 LKJFPDMIMGBMEL-UHFFFAOYSA-N 406.269 4.508 0 40 HJAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1)c1cccs1 16309098 LXMRADSGASRLML-LJQANCHMSA-N 416.506 4.854 0 40 HJAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(C)c(C)c2)sc2c1CCCC2 16683095 FQCWHGROGCDQNX-UHFFFAOYSA-N 416.568 4.547 0 40 HJAB COc1ccc2nc(-n3nc(C)cc3NC(=O)c3ccc4ncsc4c3)sc2c1 16851103 ZKJBTJKKHQGDKY-UHFFFAOYSA-N 421.507 4.661 0 40 HJAB CCc1cc(C(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)cs1 19522109 LEFAYIYLFCRPRG-UHFFFAOYSA-N 411.575 4.583 0 40 HJAB COc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(-c2ccccc2F)no1 19569973 DDHJSRXLYNQVBD-UHFFFAOYSA-N 417.440 4.727 0 40 HJAB CCCCCc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 20112499 FLWSMFFYVJDFES-HXUWFJFHSA-N 409.526 4.959 0 40 HJAB biogenic O=C(/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)Nc1ccc(C(=O)O)c(O)c1 20145433 CXMWLUSMLSULEW-XBXARRHUSA-N 401.777 4.795 0 40 HJAB NC(=O)C1CCN(C(=O)c2cccc(CSc3cc(Cl)ccc3Cl)c2)CC1 26535701 NPZKXLOVGHEEFH-UHFFFAOYSA-N 423.365 4.623 0 40 HJAB Cc1ccc(-n2cnnc2SCC(=O)Nc2cnc3ccccc3c2)cc1Cl 26748054 WWWORROFLRZYOS-UHFFFAOYSA-N 409.902 4.508 0 40 HJAB Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)o1 27935058 IQWGWRSVDOHPHK-QGZVFWFLSA-N 403.404 4.659 0 40 HJAB CCN1C(=O)S/C(=C\c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)C1=O 33614634 WLKFHBAXOYRPOB-NDENLUEZSA-N 420.490 4.532 0 40 HJAB O=c1c2c(ncn1Cc1ccccc1)c1cc(F)ccc1n2Cc1ccccc1F 35400303 SYCXIXZSJWUMFS-UHFFFAOYSA-N 401.416 4.726 0 40 HJAB COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2ccc(F)c(Cl)c2)cc1 35684716 UKJNRZRUKCPECT-KRWDZBQOSA-N 414.824 4.523 0 40 HJAB Cc1ccc(S(=O)(=O)N2[C@H](C(=O)c3ccccc3)[C@H]2c2ccccc2Cl)cc1 36123128 FMGFBRMSSVEZEI-JBAPTLGWSA-N 411.910 4.646 0 40 HJAB O=C(OCC(=O)N1CCCC1)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2 40158911 KFSZTFWFXWGICD-MNDPQUGUSA-N 412.489 4.501 0 40 HJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1 44786795 FJVBFBGXYQZAQA-LJQANCHMSA-N 407.558 4.843 0 40 HJAB O=C(c1cc(-c2cccc3ccccc23)[nH]n1)N1CCN(c2ccccc2Cl)CC1 44838815 WGSDEEKPQLZZPB-UHFFFAOYSA-N 416.912 4.846 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(N2CCOC2=O)c1 46223004 GPTUECWHSRTXMS-UHFFFAOYSA-N 415.808 4.651 0 40 HJAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)CSC1=Nc2ccccc2CS1 53615530 TZHOYMOAUVHHOC-QGZVFWFLSA-N 414.600 4.799 0 40 HJAB COc1ccc(C(=O)Nc2ccc(N3CCC[C@H]3C(C)C)c(F)c2)c(OC)c1OC 95465070 RRAOUMYVMNECEE-SFHVURJKSA-N 416.493 4.729 0 40 HJAB C[C@H](CC(=O)NC[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 95468399 APFGAKLQYVVNGY-YBOAYWMSSA-N 418.459 4.535 0 40 HJAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@H](c2cccc(Br)c2)S1 95479822 QPAIFVIGIAUBOF-HNNXBMFYSA-N 408.321 4.589 0 40 HJAB CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@@H]2ON1c1ccccc1 102725996 QGBCDYBRZMPPGI-TWHAJKEOSA-N 406.526 4.890 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)Nc4cccc(Cl)c4C)c3)C(=O)[C@H]12 206659707 RARYLXFQLYSEGB-JHOJWFKBSA-N 420.896 4.602 0 40 HJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219382554 AUASFTVTWUAQHD-GOSISDBHSA-N 413.905 4.823 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C 222863147 QUZXKZZLRBQARP-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 223395965 DCHCCXYJAFCJKM-OAQYLSRUSA-N 414.977 4.913 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)cc1 224304850 ITSNODFRWXUIMH-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 225510690 UBCSTDVOFIFYDX-XMSQKQJNSA-N 414.977 4.913 0 40 HJAB O=C(NCCCc1cccc2ccccc12)/C(=C/c1ccco1)NC(=O)c1ccccc1 225650742 ODFINJHCKLOJLQ-PLRJNAJWSA-N 424.500 4.953 0 40 HJAB O=C(Nc1ccccc1Cl)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 225757166 LVTMCKNMZIYIKJ-UHFFFAOYSA-N 401.923 4.582 0 40 HJAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccccc2O)C1 257235840 GZTIYGVPSKXCNO-VWPQPMDRSA-N 403.906 4.550 0 40 HJAB O=C(NCc1ccncc1)C1(Cc2ccc(-c3ccc(F)c(F)c3)cc2)CCOCC1 257292033 QJRFZMNNCHFVNT-UHFFFAOYSA-N 422.475 4.683 0 40 HJAB O=C(N1CCC[C@H]1c1ccnc(-c2ccccc2)n1)C1(c2ccccc2)CCOCC1 257302903 SEWWPVUEXFNMNN-QHCPKHFHSA-N 413.521 4.556 0 40 HJAB CCn1c2c(s/c1=N\C(=O)c1ccccc1Br)CCc1ccccc1-2 408562290 OQAATMVFQQEWBY-XDOYNYLZSA-N 413.340 4.839 0 40 HJAB COc1ccc(CCN[C@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1OC 408734510 WFTRPJUDYWVNQX-QHCPKHFHSA-N 424.928 4.869 0 40 HJAB COc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)c1ccco1 409058640 UKODEGADQQSSBN-LFIBNONCSA-N 423.808 4.505 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C\c3ccccc3)C2=O)cc1Cl 409182060 IAIODMQSTZCWLJ-YSWHLYNJSA-N 412.898 4.880 0 40 HJAB Cc1s/c(=N\S(=O)(=O)c2ccc(Cl)cc2)n(C)c1-c1ccc(Cl)cc1 409207339 VMYZXTHQUGTYOA-JZJYNLBNSA-N 413.351 4.658 0 40 HJAB CC[C@@](C)(NC(=O)c1ccc(C(=O)N[C@](C)(CC)C(F)(F)F)s1)C(F)(F)F 531331115 CTCHAOIMHSXALL-ZIAGYGMSSA-N 418.403 4.670 0 40 HJAB COC(=O)c1cc(Br)c(OCc2ccccc2)c(Br)c1 575414996 DTAGWOHOIXWADN-UHFFFAOYSA-N 400.066 4.577 0 40 HJAB C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccccc2)no1 1137926066 GQXZVHMSLUIJSJ-NSHDSACASA-N 409.795 4.942 0 40 HJAB Cc1ccc(-c2ncccc2NC(=O)c2ccc3c(Br)cnn3c2)s1 1523034750 XYBFXALFDRSSBB-UHFFFAOYSA-N 413.300 4.781 0 40 HJAB C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2cc3c(s2)CCCCC3)C1=O 1544371959 TWXSNYORJAZVBG-KXBFYZLASA-N 414.546 4.638 0 40 HJAB CC(C)n1cccc1CNC(=O)CC1(CN2Cc3ccccc3C2=O)CCCCC1 1565524313 FSNQVFGJRZLNOV-UHFFFAOYSA-N 407.558 4.682 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(C)c1 643199 PMRKSJQUEPPEGH-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB C[C@@H](NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1ccccc1 901975 SYMMVHLUBPULMY-GFCCVEGCSA-N 407.417 4.725 0 40 HJAB CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1ccccc1 925353 MYGJIVQGSVXIQH-UHFFFAOYSA-N 415.950 4.603 0 40 HJAB Cc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccc3c(c2)OCO3)cc1 1095868 CJLQQHJFIKBSNX-VWLOTQADSA-N 410.473 4.993 0 40 HJAB biogenic CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 1266143 PFOLXWKEJPLJGG-UHFFFAOYSA-N 420.340 4.550 0 40 HJAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N4CCOCC4)ncnc32)cc1Cl 1447555 KJPQRJIHXSPTMM-UHFFFAOYSA-N 404.901 4.886 0 40 HJAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccc(F)cc4)nc3C2)cc1 2411339 ZAFUBSBPKWIGKB-SFHVURJKSA-N 403.457 4.904 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccc(OC)c3)n2)cc1 2449623 HZZGBUKOGHGEBN-UHFFFAOYSA-N 401.422 4.673 0 40 HJAB Cc1sc2nc(SCC(=O)Nc3ccccc3)n(C3CCCC3)c(=O)c2c1C 2651447 CHKWMUNTKQEJGS-UHFFFAOYSA-N 413.568 4.921 0 40 HJAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(Cl)cc(Cl)c1 3214466 LEDYGABNHUPSCQ-UHFFFAOYSA-N 406.309 4.632 0 40 HJAB Cc1ccc(NC(=O)C[C@@H](C(=O)Nc2ccccc2)C(=O)c2ccccc2)cc1C 3327244 AJUQGENVBXWBCS-JOCHJYFZSA-N 400.478 4.770 0 40 HJAB COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1 4029371 MNZJUZFZFRKBCR-INIZCTEOSA-N 415.445 4.875 0 40 HJAB biogenic COc1cccc(/C=C(/C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)c2ccccc2)c1 4947009 QWFTUYJVLINWFJ-UTVJPEBPSA-N 407.510 4.569 0 40 HJAB O=C1CC2(CCN(C(=O)c3ccccc3SC(F)F)CC2)Oc2ccccc21 5222379 UDQNMSJZRYGTEY-UHFFFAOYSA-N 403.450 4.642 0 40 HJAB C[C@H](Nc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1-c1ccccc1 5827414 NXCWZBFPCIGDND-IBGZPJMESA-N 401.510 4.629 0 40 HJAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccccc4)ccc3o2)cc1 5896527 ASFAYQNKVFMSHI-UHFFFAOYSA-N 417.490 4.695 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1 6083059 FTKFHNWBZCLRNN-UHFFFAOYSA-N 423.431 4.736 0 40 HJAB CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 6368741 RCOBRQHPGKUAHL-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB COCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccc(OC)cc1 6665470 XMQIOVWSJLYJCY-UHFFFAOYSA-N 418.497 4.556 0 40 HJAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccc(OC)cc2)n1CC)c1ccccc1 7180361 AYPLXEFSJFMVIF-HXUWFJFHSA-N 424.570 4.675 0 40 HJAB CCOc1cc(CNn2c(-c3ccccc3)n[nH]c2=S)cc(Cl)c1OCC 8253911 YRLMTQXHVGWTND-UHFFFAOYSA-N 404.923 4.802 0 40 HJAB COCCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2ccccc21 8424711 ZOICEENJMZNCTM-LBPRGKRZSA-N 407.898 4.595 0 40 HJAB COc1cc(CNn2c(-c3ccccc3)n[nH]c2=S)ccc1OCc1ccccc1 8472057 JKUVBEKNQMQKHM-UHFFFAOYSA-N 418.522 4.939 0 40 HJAB O=c1c(Cl)c(Nc2ccc3c(c2)nc2n3CCCCC2)cnn1-c1ccccc1 8725297 HXBHBJTXVXZCDP-UHFFFAOYSA-N 405.889 4.706 0 40 HJAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cc(C)cc(C)c1 9002258 OJJHYMLZHNJTMJ-UHFFFAOYSA-N 415.536 4.928 0 40 HJAB Cc1c(C)n(-c2ccc(Br)cn2)c2ncn3nc(-c4ccccc4)nc3c12 9061112 QXRFIRZERDTHSG-UHFFFAOYSA-N 419.286 4.510 0 40 HJAB COc1ccc(C(=O)Nc2c(C(=O)c3ccc4c(c3)OCO4)oc3ccccc23)cc1 9328382 WANIXZYGQAOPIJ-UHFFFAOYSA-N 415.401 4.653 0 40 HJAB CCN(Cc1ccc(Br)s1)C(=O)CSc1nc2cc(C)ccc2[nH]1 9633717 CAIQVMJULWEAQW-UHFFFAOYSA-N 424.389 4.836 0 40 HJAB C[C@@H](Sc1nnnn1C1CCCC1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 9643919 GKRLYUDESBJYAQ-GFCCVEGCSA-N 424.555 4.607 0 40 HJAB CC[C@H]1CCCCN1C(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 9784921 RHINKGLUVCVQHD-INIZCTEOSA-N 406.939 4.774 0 40 HJAB O=C(Cc1cccs1)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12237313 ROPPVTNTFFZCDC-UHFFFAOYSA-N 423.563 4.742 0 40 HJAB CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 12655170 UGTGGLOTLSAFLH-IPGAFUANSA-N 414.542 4.549 0 40 HJAB biogenic COc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc(OC)c1 12760784 KENUMMVGIJLLSY-UHFFFAOYSA-N 407.401 4.607 0 40 HJAB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 12993466 JQPGLLDJADVOBC-LBPRGKRZSA-N 421.353 4.726 0 40 HJAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N2CCCC2)n1C1CCCCC1 13010356 BQMVGLSDDMJISO-INIZCTEOSA-N 414.575 4.562 0 40 HJAB CC(C)c1ccc([C@H](NC(=O)CN2C(=O)COc3ccccc32)c2cccs2)cc1 15616566 VIFPKEICNFCLFD-DEOSSOPVSA-N 420.534 4.503 0 40 HJAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccc(Br)cc1F 16493456 WCRDKYLSWRPQTM-UHFFFAOYSA-N 404.239 4.600 0 40 HJAB CC(C)(C)c1cc(C(F)(F)F)n2nc(C3CCN(Cc4ccccn4)CC3)cc2n1 19083844 KFLUXLMZQRMLHN-UHFFFAOYSA-N 417.479 4.820 0 40 HJAB CC(=O)CSc1nnc(CNc2ccccc2C)n1-c1cccc(C(F)(F)F)c1 19897512 RSSRLSLOCCPMNV-UHFFFAOYSA-N 420.460 4.888 0 40 HJAB O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)C1(c2ccccc2)CCCC1 20153564 KDHFPLBEJFIHCG-UHFFFAOYSA-N 420.534 4.764 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1C 20412220 MEOVRSAZCIIPOT-UHFFFAOYSA-N 410.539 4.920 0 40 HJAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 23030138 RXXCNHGNPLFONF-KEAGSLSDSA-N 409.574 4.652 0 40 HJAB Cc1ccc(CC(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cc1 26047029 LOOJLLNHPZDFCA-UHFFFAOYSA-N 404.535 4.745 0 40 HJAB CCCn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nc2ccccc2c1=O 28359974 IJNOZWUXHGRXMS-UHFFFAOYSA-N 421.444 4.556 0 40 HJAB O=c1c2ccccc2n2c(SCc3ccccc3)nnc2n1CCc1ccccc1 32985542 LYUBGLYCXSDOGQ-UHFFFAOYSA-N 412.518 4.579 0 40 HJAB Cc1cc(C)c2c(=O)cc(CSc3nnc(NC(=O)c4ccccc4)s3)[nH]c2c1 33063921 NCKUNDIRWFSXEQ-UHFFFAOYSA-N 422.535 4.541 0 40 HJAB Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(N4CCCC4)cc3C)C2)c1 40151345 HPAJECCWNNSMHA-HXUWFJFHSA-N 420.557 4.786 0 40 HJAB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)nn12 57316896 GTVCSSLSONBEIS-UHFFFAOYSA-N 418.309 4.974 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@@H](NCCOc2ccc(C)cc2)c2ccccc2)c1 57572269 CKUYVLGQLFXKFQ-DEOSSOPVSA-N 402.494 4.546 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 58058962 MYYQECZEOATLEQ-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1cccc(Cc2cnc(NC(=O)N3CCN(c4cccc(C)c4)CC3)s2)c1 72280719 NVGDIWOHVDPYGD-UHFFFAOYSA-N 406.555 4.705 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2ccc(Nc3cccc(C)n3)cn2)cc1 72353061 UGJQWGTZUUXZLH-HSZRJFAPSA-N 416.525 4.834 0 40 HJAB COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)c1 72359183 NDFNBMICZVVKGU-HXUWFJFHSA-N 419.500 4.630 0 40 HJAB CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)N1CCCCCCC1 83869675 VSKJXXMARNCCRE-UHFFFAOYSA-N 419.319 4.725 0 40 HJAB CCS(=O)(=O)CCN(C)C(=O)c1oc2ccccc2c1CSC1CCCCC1 89272350 KHDIWAHTUXIITP-UHFFFAOYSA-N 423.600 4.505 0 40 HJAB c1cnn(-c2ccc(CNC3(c4nc(-c5ccsc5)no4)CCCCC3)cc2)c1 95450129 YEWSCKXLFNOBBN-UHFFFAOYSA-N 405.527 4.933 0 40 HJAB COc1ccc([C@H]2CC3=NC(=O)C[C@H](C(=O)Nc4ccc(Cl)cc4)C3=C(O)C2)cc1 102659571 NSWIYRJHAPRBRX-KSSFIOAISA-N 424.884 4.664 0 40 HJAB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1 113935973 TXNYMVPJJONLHU-HSZRJFAPSA-N 422.550 4.701 0 40 HJAB COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 123326168 KCWRJZPEFSQWMV-ILXVDKBMSA-N 418.574 4.565 0 40 HJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219049443 OIXUJBXGFJNLPP-CQSZACIVSA-N 407.857 4.627 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Br)ccc3OC)N21 222668984 AMINKMHMRLYVKD-FSPWUOQZSA-N 418.360 4.832 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSCc1ccccc1 222924265 WMSWCNXRIRZICJ-QGZVFWFLSA-N 418.990 4.517 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 224742013 LURMZRLRRNCOAW-QGZVFWFLSA-N 418.990 4.684 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 224999436 XHMSXVSSWUPJHG-PMACEKPBSA-N 418.537 4.551 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 225041555 URIQIKGQBFDOAG-IRLDBZIGSA-N 424.585 4.631 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 225051751 DKGNVDLPDFMTDM-IAGOWNOFSA-N 418.940 4.662 0 40 HJAB Cc1ccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225516623 OHLJEPHJQVIGQH-KRWDZBQOSA-N 418.990 4.682 0 40 HJAB COc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC(C)C)cc1 225678912 QDAXXKVSTNGQHW-HXUWFJFHSA-N 424.585 4.693 0 40 HJAB COc1ccc([C@H]2C[C@@](C)(NC(=O)c3ccccc3)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1CO 257259764 KZWNMQLAXONZEY-ZXWDYMNISA-N 423.553 4.642 0 40 HJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1 257314592 UXQSSMUELFFVMD-UHFFFAOYSA-N 411.452 4.905 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1C(=O)NC1CCCCC1 408550657 GBEWHJZTMGGSNE-UHFFFAOYSA-N 406.935 4.512 0 40 HJAB COc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)c1 408697179 FRWLUKGUBQYXQX-UHFFFAOYSA-N 404.857 4.849 0 40 HJAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409199498 DCSLDWWFTSTXCT-VAKHEIKFSA-N 419.886 4.978 0 40 HJAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(Cl)cc2)n1C 409326365 AZHLIQNSIIBRMJ-GOSISDBHSA-N 414.962 4.888 0 40 HJAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc1 409357914 KVYOWNOZHIRPBH-RQZCQDPDSA-N 400.887 4.632 0 40 HJAB O=C(c1cc2c(Cl)cccc2[nH]1)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 409414570 MUMOMJJBRFKSKD-YHFSLCLQSA-N 409.961 4.857 0 40 HJAB c1cc(CN2CCCC[C@@H]2c2cn[nH]c2)ccc1CN1CCCC[C@@H]1c1cn[nH]c1 512294538 JDXRLAQCZAJNCM-DNQXCXABSA-N 404.562 4.587 0 40 HJAB Cc1ccc(OCCC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c(C)c1 518217963 IMWDASYYXHKBHF-HXUWFJFHSA-N 404.510 4.924 0 40 HJAB O=C(Nc1cccc(Oc2ccccc2)c1)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 1658700337 UEHPRJVYSNAQJF-LBZQVFOQSA-N 422.506 4.605 0 40 HJAB COc1ccc(N[C@@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 721795 PXDRGPOVGPPARB-HNNXBMFYSA-N 408.112 4.887 0 40 HJAB CCc1ccccc1N(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccccc1 827646 AHJQVHVMNHMTMG-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 898965 RGXLVXUVXHNZSH-UHFFFAOYSA-N 423.586 4.875 0 40 HJAB CCOc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 919414 HLYLZYPGKWALCA-CXAGYDPISA-N 420.391 4.787 0 40 HJAB O=C(Nc1cccc(Cl)c1)OCCOCCOC(=O)Nc1cccc(Cl)c1 1688146 JCMRQWGIMATFIT-UHFFFAOYSA-N 413.257 4.807 0 40 HJAB COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(Cl)cc1)cn2Cc1ccccc1 2688233 OJAOEOJXJOUQIR-UHFFFAOYSA-N 403.865 4.943 0 40 HJAB FC(F)Oc1ccccc1[C@H]1C[C@@H](c2cccc(Br)c2)Nc2ncnn21 2918214 ORFFTVRLIRPJRA-LSDHHAIUSA-N 421.245 4.788 0 40 HJAB CCc1nnc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)s1 3354179 RHSFOIYNWNZJRX-UHFFFAOYSA-N 408.483 4.690 0 40 HJAB C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NC1CCCC1 3515053 IIDWWVGHTYSASX-INIZCTEOSA-N 404.539 4.745 0 40 HJAB O=C(COC(=O)c1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Cl)cc1 3669572 MRBRZLAZPAFYJC-UHFFFAOYSA-N 402.837 4.990 0 40 HJAB COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccccc3)c3c([nH]c4ccccc34)[C@@H]21 4084446 QJGVFTGFUHOFRH-MHECFPHRSA-N 410.473 4.876 0 40 HJAB biogenic CCOC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1 4301625 WTGSPXGVRDKWGU-UHFFFAOYSA-N 401.466 4.823 0 40 HJAB COc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(C)c2)cc1 4518118 VRJCREFMIHKMQT-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB CCN(CC)C(=O)c1ccc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1 4652831 ZADVVWVAAFKUKA-UHFFFAOYSA-N 411.571 4.933 0 40 HJAB O=C(CCc1ccccc1)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl 4659882 KMECYUNCNNPKJT-UHFFFAOYSA-N 406.913 4.884 0 40 HJAB CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)c1 5244512 GLAPYPPKKJTKDO-JOCHJYFZSA-N 412.445 4.645 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2nc3ccccc3o2)C1=O 5628929 SZOSQLMCGZEGRD-QGZVFWFLSA-N 400.887 4.795 0 40 HJAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N[C@@H](C)CCc3ccccc3)n2)cc1 6214802 YMSQJZPUWYNOPB-DLBZAZTESA-N 408.571 4.652 0 40 HJAB CC(C)CNc1nnc(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)s1 7051244 KPVGSVRUKTZMKG-UHFFFAOYSA-N 419.620 4.717 0 40 HJAB CCCCn1nnnc1NCc1ccccc1OCc1ccc(Cl)cc1Cl 7262216 YZSIDGLWVMQCDT-UHFFFAOYSA-N 406.317 4.971 0 40 HJAB CCOC(=O)c1sc2nc(/C(Cl)=C/c3cc(C)c(O)c(C)c3)[nH]c(=O)c2c1C 7488678 SSCAWIDYWHPNGU-JYRVWZFOSA-N 418.902 4.529 0 40 HJAB Cc1cccc(N2CCN3c4cc(Cl)ccc4CC4(C(=O)CCCC4=O)[C@@H]3C2)c1C 8773626 OCWRNCNDOIJVSL-QFIPXVFZSA-N 422.956 4.517 0 40 HJAB COc1ccc2cc(CN(C)C(=O)c3cc(Cl)c4c(c3)OCCCO4)ccc2c1 8879018 ZRDYCTOKKXYRMR-UHFFFAOYSA-N 411.885 4.935 0 40 HJAB CCn1c2ccccc2c2cc(N[C@@H]3C4=C(CCCC4)C(=O)N3CCOC)ccc21 9520008 HLBHYJKGBSYAGJ-DEOSSOPVSA-N 403.526 4.912 0 40 HJAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccccc2-c2ccccc2)CC1=O 9549221 IHLVKCIRURMAED-IBGZPJMESA-N 400.478 4.662 0 40 HJAB CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 10313897 ADEUOSWOWBJFML-UHFFFAOYSA-N 415.537 4.880 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@H](c3nc4ccccn4c3NC(C)(C)C)C2)no1 12088139 HROUOTWZSBMFPD-INIZCTEOSA-N 409.534 4.676 0 40 HJAB COc1cc(CNc2ncc(-c3cc(C)no3)c(-c3ccoc3C)n2)cc(OC)c1 12251496 XGWMDOMNYMCBNA-UHFFFAOYSA-N 406.442 4.638 0 40 HJAB Cc1ccc([C@@H](C)C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)cc1 12254229 NCPCMIXWAWDKQA-VGOFRKELSA-N 400.526 4.780 0 40 HJAB COC(=O)c1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4cccnc4)nc32)cc1 12444745 CUHFQCWKGLBXRB-UHFFFAOYSA-N 412.371 4.596 0 40 HJAB Cn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(-c2ccc3c(c2)OCCCO3)n1 12997848 JFHTVCQLGOWCGH-UHFFFAOYSA-N 418.280 4.808 0 40 HJAB Clc1cccc(Cl)c1CSc1nnc(N2CCOCC2)n1-c1ccccc1 13146119 BCTBPVBPNRZDGH-UHFFFAOYSA-N 421.353 4.703 0 40 HJAB COc1ccc(-c2cc(C(=O)NC3CCN(C(C)C)CC3)c3ccccc3n2)cc1 14939279 WUGWTWLWGOYDME-UHFFFAOYSA-N 403.526 4.513 0 40 HJAB COc1ccc(CC(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)cc1 19083136 CBYCABMMJIETFI-UHFFFAOYSA-N 420.557 4.502 0 40 HJAB O=C(N[C@H](c1ccccn1)C1CCN(Cc2cccc(Cl)c2Cl)CC1)C1CC1 19400857 KHEZHXZNJZYTMR-NRFANRHFSA-N 418.368 4.868 0 40 HJAB Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(Cc4ccccn4)CC3)c12 19554583 UVGSQCLJWYTONP-UHFFFAOYSA-N 405.546 4.602 0 40 HJAB Cc1noc2nc([C@@H]3CCCN(C(=O)Cc4ccccc4F)C3)cc(C(F)F)c12 19563953 LMYHCIKRSCEQCN-CQSZACIVSA-N 403.404 4.557 0 40 HJAB Cc1nc2ccc(NC(=O)c3cc(Cn4nccc4C)nc4ccccc34)cc2nc1C 19664508 GBBMRCMFYUJDAZ-UHFFFAOYSA-N 422.492 4.600 0 40 HJAB Cn1nccc1CN1CCC[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19690291 VXRFISBFLUQLCQ-IBGZPJMESA-N 414.475 4.804 0 40 HJAB CNc1cc(C(=O)N2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)ccn1 19690401 BTHVZQQLNNUFLD-UHFFFAOYSA-N 420.944 4.782 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 20508622 ZRKGUUXPSBCMAB-WUZDHUPESA-N 401.337 4.864 0 40 HJAB CC(C)c1ccc(CN2CCN([C@@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1 22925527 QRDJYNYWSOQQCV-SFHVURJKSA-N 408.521 4.878 0 40 HJAB CCc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(C)cc3)cc12 23119229 XATRFVOBAFANGH-UHFFFAOYSA-N 402.523 4.998 0 40 HJAB CN(C(=O)c1cccs1)c1ccccc1C(=O)NCC1(c2ccccc2)CCC1 25710706 FSMUYWRRMPZNIN-UHFFFAOYSA-N 404.535 4.876 0 40 HJAB Cc1ccc([C@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CCCCC2)cc1 27581607 SXLPJZNVGBPHNO-QFIPXVFZSA-N 414.977 4.987 0 40 HJAB S=C1SCN(CCc2c[nH]c3ccccc23)CN1CCc1c[nH]c2ccccc12 31769723 WIZFYWSLOREYIF-UHFFFAOYSA-N 420.607 4.985 0 40 HJAB COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3cc(Cl)cc(Cl)c3)nn1C)C2 32094587 CHGUVSMAJUUZBX-UHFFFAOYSA-N 418.280 4.568 0 40 HJAB Cc1ccc(Cn2ncc3c2N=C(O)C[C@]32C(=O)N(C)c3ccc(C(C)C)cc32)cc1 32105486 UFLGVYJIUVGJKF-RUZDIDTESA-N 414.509 4.617 0 40 HJAB C[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)[C@@H]2CCCC[C@@H]12 32923104 ARPAUOSNBZKAIQ-VOQZNFBZSA-N 412.555 4.528 0 40 HJAB CCc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)cc1 33089199 XPILTDCKWFZJAC-GFCCVEGCSA-N 411.299 4.696 0 40 HJAB Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCc2ccc(Cl)cc2)n1C 33562494 OLINTANVHOIKLU-AWEZNQCLSA-N 400.935 4.560 0 40 HJAB CC[C@@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc(OC)cc1 38773020 DIAAZQHZLMLGQU-GOSISDBHSA-N 406.320 4.721 0 40 HJAB O=C(NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)cc1 44005691 HNTBEGBVEWKTMP-UHFFFAOYSA-N 423.410 4.518 0 40 HJAB O=C(NCc1ccc(Cl)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 55150095 FNXINROWLGCJQS-UHFFFAOYSA-N 419.956 4.592 0 40 HJAB CN(C)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)cc1 55454002 VLQPVLNOPXGTPT-UHFFFAOYSA-N 403.511 4.529 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC 64762065 WHBHQWRSGUACHT-UHFFFAOYSA-N 422.506 4.533 0 40 HJAB CCc1nccn1-c1cccc([C@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 72378992 LNQNDXWKGLXDRR-NRFANRHFSA-N 402.542 4.559 0 40 HJAB CCSc1cc(C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)ccn1 89275298 CLJBGPIXHZUEEQ-UHFFFAOYSA-N 407.524 4.755 0 40 HJAB Cc1nnc(SCc2ccc(Cl)cc2)nc1/C=C/NOCc1ccc(F)cc1 100104830 OTVRGMOVWHTRAH-ZHACJKMWSA-N 416.909 4.957 0 40 HJAB COc1ccccc1CN(C)C(=O)c1ccc(CN2CCCc3ccccc32)cc1 216438876 TYUQGKSZGGDCQS-UHFFFAOYSA-N 400.522 4.920 0 40 HJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)O)cc3)o2)S1 222631127 MJPHRICYADKSML-GBLZOACLSA-N 405.479 4.629 0 40 HJAB CC[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1C 224046467 CRJDVTGVQFXOJG-QFIPXVFZSA-N 422.550 4.985 0 40 HJAB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1)c1ccccc1 224199072 RYMWFGZVLHPAJJ-JOCHJYFZSA-N 422.550 4.701 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc12 224671784 NKLFYEYUZPGHMZ-IBGZPJMESA-N 420.528 4.853 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 225240623 LYMXLJHAJLAMJM-SJORKVTESA-N 418.940 4.744 0 40 HJAB COC(=O)c1cccc(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)c1C 225499316 ZMLUKVOFLCBNEA-FQEVSTJZSA-N 400.544 4.864 0 40 HJAB CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C(C)C)CC1 257218951 DEZKYEBYODOYKA-UHFFFAOYSA-N 424.560 4.825 0 40 HJAB COc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCC[C@H](C)C4)cc3)s2)cc1 260743570 LVCCNWNMDWCXLE-INIZCTEOSA-N 422.554 4.698 0 40 HJAB CCN1CCN(C(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)CC1 408578401 YCOVTFMBJHCDQQ-UHFFFAOYSA-N 409.382 4.885 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1 408706251 YOFFKSALMFTCMC-UHFFFAOYSA-N 424.522 4.594 0 40 HJAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(Br)cc2F)CC1 408708144 VHFWHUZVXHSXNR-UHFFFAOYSA-N 413.331 4.638 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1 409006991 MKJBPUPTJTXNOJ-UHFFFAOYSA-N 405.479 4.841 0 40 HJAB O=C(NCCc1ccc(-c2ccsc2)s1)C(=O)Nc1ccc(F)c(Cl)c1 575414116 ZWVQPMGDXJVGJQ-UHFFFAOYSA-N 408.907 4.567 0 40 HJAB CCNC(=O)CCC/C=C\C[C@H]1[C](O)CC(O)=C1/C=C/[C@@H](O)CCc1ccccc1 1560410232 SQFYWDMVMDOYSY-PJPHRDPWSA-N 412.550 4.525 0 40 HJAB Cc1ccc(NCc2nnc(SCC(=O)OC(C)C)n2-c2ccc(C)cc2)cc1 907378 CUPVLJWOTJRJGT-UHFFFAOYSA-N 410.543 4.540 0 40 HJAB COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3cc(C)ccc3C)n12 928470 DECJYANBULNOJC-UHFFFAOYSA-N 406.511 4.547 0 40 HJAB CC(C)(C)NS(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 1382331 KRHZEIFGCXYWIE-UHFFFAOYSA-N 408.829 4.623 0 40 HJAB COCCNC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 1806131 JZQBWSGUYRGPIR-UHFFFAOYSA-N 414.571 4.553 0 40 HJAB CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1 2335733 HVDBGOFHGXVYPK-UHFFFAOYSA-N 410.524 4.798 0 40 HJAB CSc1nc(SCCO)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 2413138 PNJWENKFKVLIHP-UHFFFAOYSA-N 405.614 4.733 0 40 HJAB O=S(=O)(c1ccc2ccccc2c1)N1CCN=C1SCc1ccc(Cl)cc1 2711534 IHAKAHHBTDCWIG-UHFFFAOYSA-N 416.955 4.787 0 40 HJAB CCOc1ccccc1NC(=O)[C@H](Nc1ccc2c(c1)OCCO2)c1ccccc1 3300383 KVGINDCAXJPKTF-HSZRJFAPSA-N 404.466 4.648 0 40 HJAB O=C(COc1ccc(F)cc1)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 3655392 KCMBUABYGHISOG-UHFFFAOYSA-N 407.372 4.960 0 40 HJAB CCOC(=O)CC[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@@]21C 4073926 ZFVNCIMEWULGEX-BSDRMFGVSA-N 420.634 4.956 0 40 HJAB biogenic COc1ccc2c(c1OC)C(=O)N1C[C@H](c3cccs3)c3c([nH]c4ccccc34)[C@@H]21 4086684 MBTYOUHHAPXLTE-IVZQSRNASA-N 416.502 4.937 0 40 HJAB biogenic CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCc4ccccc4C3)o2)cc1 4161534 KOSMZRDEMBWVNH-UHFFFAOYSA-N 407.539 4.711 0 40 HJAB O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1 4555101 DWVLOGZSQDOJST-GQCTYLIASA-N 410.227 4.897 0 40 HJAB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(OC(F)F)cc1 5559067 KDEMCXPWYYHVFN-UHFFFAOYSA-N 410.420 4.513 0 40 HJAB Cc1ccc(OCc2nc3ccccc3n2C[C@@H](O)COc2ccccc2F)cc1 5902106 RKNHFKHNKQOIGM-GOSISDBHSA-N 406.457 4.503 0 40 HJAB O=C(Nc1ccccc1N1CCCC1)c1cn(-c2ccccc2)nc1-c1cccnc1 6820443 LQEBWUGAHGIPOW-UHFFFAOYSA-N 409.493 4.787 0 40 HJAB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C2=O)c1 6967226 SIRKAFSLGQNHAK-FYJGNVAPSA-N 403.457 4.635 0 40 HJAB FC(F)(F)c1nc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc2n1 8230004 VKADYIJNQVXSQG-MRXNPFEDSA-N 401.388 4.761 0 40 HJAB CCc1cccc(CC)c1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 8310333 BOVNIOLDXOTXHD-NRFANRHFSA-N 408.542 4.748 0 40 HJAB CCc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(C)c(Cl)c1 8433509 QMOYPPPXSOXGGT-UHFFFAOYSA-N 416.905 4.502 0 40 HJAB C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)n1nnc(-c2cccs2)n1 8745970 OWDPSTKRBBKCEX-CQSZACIVSA-N 407.524 4.753 0 40 HJAB CCCCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CC)c1 8845830 NKVGSOZEYPDHIJ-QHCPKHFHSA-N 405.498 4.916 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1 9036898 NHGOHASXPHPDBO-UHFFFAOYSA-N 420.534 4.986 0 40 HJAB COCCn1c(SCc2nc(-c3ccccc3Cl)no2)nc2ccccc21 9336071 YUAMQJQGTRMXCU-UHFFFAOYSA-N 400.891 4.678 0 40 HJAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1ccc(C)c(Cl)c1 9646434 HAQVWPKSRRDXER-UHFFFAOYSA-N 413.879 4.590 0 40 HJAB COc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 9885445 YACQKAAEUAOGMG-NSHDSACASA-N 423.325 4.702 0 40 HJAB Cc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 10112393 ZAQVQQNLIIFFDK-UHFFFAOYSA-N 422.550 4.651 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1 10360302 ISRSXVJTNZOOCN-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB NC(=O)c1cc(Cl)ccc1OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 11114176 CKAPIVOTNLCRPR-JOCHJYFZSA-N 413.832 4.765 0 40 HJAB COc1ccc2cc(CNC(=O)[C@H](NC(=O)c3ccccc3Cl)C(C)C)ccc2c1 11124757 GSJKYHRTVKGURT-JOCHJYFZSA-N 424.928 4.573 0 40 HJAB Cc1ccc(Oc2ccccc2NC(=O)CSc2nnc3n2CCCCC3)cc1 12001844 FALFUALFBAIQBK-UHFFFAOYSA-N 408.527 4.836 0 40 HJAB COc1cccc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc3nccnc3c2)c1 12422072 GLDAGKLNVWNCLM-XMMPIXPASA-N 408.461 4.630 0 40 HJAB OC1CCC(Nc2ncnc3scc(-c4ccc(Br)cc4)c23)CC1 12755153 ANXJGXLHQAYXSY-UHFFFAOYSA-N 404.333 4.836 0 40 HJAB COc1cc(OC)cc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1 12777957 FMBOZWDXYNVFBM-QGZVFWFLSA-N 418.493 4.789 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(Oc3ccc(C(=O)O)c(C(=O)O)c3)c2)cc1C 13943541 SVPPOCYDPQJMOC-UHFFFAOYSA-N 405.406 4.744 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)c1 14122070 KXBFETKBAYOVAN-UHFFFAOYSA-N 410.543 4.557 0 40 HJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2Cl)cc1 15756953 JQGZTBKLMWCTMC-UHFFFAOYSA-N 416.886 4.892 0 40 HJAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccncc2)cc1C 16685293 XEXNHIBGEKNIDJ-UHFFFAOYSA-N 415.522 4.742 0 40 HJAB O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1nc2ccccc2s1 16837677 UYWAMTGNJSEWHK-UHFFFAOYSA-N 409.496 4.578 0 40 HJAB CC(C)C(=O)N1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 19085568 BVUYYYXGTIIWTE-SQWLQELKSA-N 412.481 4.924 0 40 HJAB COc1c(C)cccc1C(=O)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19235830 HCTBYHFZJPBNRF-AWEZNQCLSA-N 417.431 4.919 0 40 HJAB Cc1ncc(-c2ccncc2)c(CN(Cc2ccccc2)C(=O)CC2CCCC2)n1 19286998 UKIBREZRHJTFSG-UHFFFAOYSA-N 400.526 4.956 0 40 HJAB Cc1nn([C@H](C)CC(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c(C)c1Cl 19577502 QSIMQAHXTSTQSJ-RHSMWYFYSA-N 407.917 4.561 0 40 HJAB CCc1ccc(NC(=O)C[C@@H]2C(=O)N(C3CCCCC3)c3nc4ccccc4n32)cc1 19817403 PSNBLJDFFRTLKJ-JOCHJYFZSA-N 416.525 4.848 0 40 HJAB CC(C)Oc1ccc(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 20042005 ZTPONMGNKYWMOV-UHFFFAOYSA-N 414.549 4.962 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)COc2ccc(CC)cc2Br)cc1 20452935 GUQNRCHKJTXSBZ-CQSZACIVSA-N 406.320 4.666 0 40 HJAB Cc1nnc2sc(-c3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3)nn12 20609751 BMBKPVMFXLHJEG-UHFFFAOYSA-N 404.282 4.720 0 40 HJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccc(F)cc1 21580085 OGFBDERPHYIOCD-UHFFFAOYSA-N 420.469 4.504 0 40 HJAB C[C@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1nc(-c2ccccc2)cs1 21762307 PLHJMMKLAMRBSR-JTQLQIEISA-N 413.553 4.516 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2ccc(C)cc2C)cc1 22275354 XAHICQZHRQEHNB-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB c1ccc(CNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cc1 23982951 BMOPRBOSAXRYIX-UHFFFAOYSA-N 416.550 4.803 0 40 HJAB C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CC1)c1ccccc1OC(F)F 25300592 OPOMJVCNDMIGTO-GFCCVEGCSA-N 410.258 4.960 0 40 HJAB CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 27581496 MTBAVJLIJUKCOW-QFIPXVFZSA-N 400.950 4.796 0 40 HJAB CCc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N2CCCC2)cc1 28292698 VZPUGZXNGWKZJH-HXUWFJFHSA-N 424.928 4.576 0 40 HJAB Cc1cc(C)c2[nH]c(CSCC(=O)Nc3ccc(F)c(Cl)c3)cc(=O)c2c1 33064065 YWSWFMGOWCIBCW-UHFFFAOYSA-N 404.894 4.809 0 40 HJAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(OC)c2OC(C)C)c1 36366788 FWLAEROCODOUHD-GOSISDBHSA-N 407.470 4.800 0 40 HJAB C[C@H](CCc1ccco1)NC(=O)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F 36616032 SUAXTQKNCGYXLB-OAHLLOKOSA-N 418.472 4.781 0 40 HJAB O=C(Nc1ccccc1C(=O)NC1CC1)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 36646392 MMVRBNPBUPOACU-UHFFFAOYSA-N 423.472 4.549 0 40 HJAB CCOc1cc(CO)cc(Br)c1OCc1cccc(Br)c1 36825177 LAMASWPAOJVTLA-UHFFFAOYSA-N 416.109 4.682 0 40 HJAB CC(C)c1ccc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2-c2ccncc2)cc1 38487892 POJKXCMQNBNKOG-UHFFFAOYSA-N 415.472 4.522 0 40 HJAB CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2cccc(C)c2)CC1 44851587 RGFVQGSUVBDVHL-UHFFFAOYSA-N 408.586 4.745 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Oc2ccccc2C(C)C)CC1 44903045 QTOSJQUHFMFFST-GOSISDBHSA-N 400.950 4.888 0 40 HJAB Nc1c(Cl)cc(NC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1Cl 48253733 ULQKWISOGGMZPG-UHFFFAOYSA-N 412.280 4.621 0 40 HJAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc(Br)cnc1Cl 58173489 UGJCTLHZZUADPV-UHFFFAOYSA-N 422.632 4.835 0 40 HJAB COCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1Cl 58826377 DGZBMSFWMPYXMF-UHFFFAOYSA-N 403.906 4.824 0 40 HJAB CC(=O)NCc1ccc(-c2csc(C3(NC(=O)c4ccccc4)CCCCC3)n2)o1 72284610 VDBXKDCBPTWXNQ-UHFFFAOYSA-N 423.538 4.629 0 40 HJAB CCCCOc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)[nH]n2)cc1 72331575 YUUCJCYBBMJCAV-INIZCTEOSA-N 423.513 4.764 0 40 HJAB CCn1ccnc1CN1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 72359821 NOPMHLUKYOELNG-UHFFFAOYSA-N 415.463 4.758 0 40 HJAB CC(C)c1nccn1-c1cccc([C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 72379252 OIOBLAYTXIFWRM-FQEVSTJZSA-N 420.532 4.869 0 40 HJAB C[C@H](O)C[C@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1 79104796 ROGKNUOYGFROCJ-GHTZIAJQSA-N 407.485 4.689 0 40 HJAB Oc1ccc(Cc2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1 82048680 YSDAHJUJMHJCIY-UHFFFAOYSA-N 418.500 4.810 0 40 HJAB COC(=O)CC[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@@]21C 119071953 ZHUOOEGSSFNTNP-PLQQDRFXSA-N 406.607 4.566 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 222601482 KWPPZBOFCBRKGQ-ZJSXRUAMSA-N 408.586 4.611 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 223077356 BEPSLTAMDKWWPO-JOCHJYFZSA-N 424.585 4.796 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1Cc1ccco1 223354634 LPEVOTZMZACNFX-FGZHOGPDSA-N 400.507 4.638 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)c2)cc1 223958895 YJNZWYNBJUQIQW-IBGZPJMESA-N 422.550 4.904 0 40 HJAB FC(F)(F)Oc1cccc(NC(=S)NC2CCN(Cc3cccs3)CC2)c1 225231523 ICQUPLLGFSLKIM-UHFFFAOYSA-N 415.506 4.598 0 40 HJAB Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(C(F)(F)F)n2)o1 225916557 JKVWQPJQHKXVGX-UHFFFAOYSA-N 408.405 4.676 0 40 HJAB Cc1ccc(CN2CCC(Cc3ccc(-c4cccnc4)cc3)(C(N)=O)CC2)cc1C 257233580 GPUHVNZLCWBVOF-UHFFFAOYSA-N 413.565 4.676 0 40 HJAB COc1cccc(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3OC)o2)c1 257338538 YXWWHKCEINHTHL-QFIPXVFZSA-N 420.509 4.579 0 40 HJAB COC(=O)c1ccc(C)c(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c1 408923405 CJTYFDYYYNOGIG-PXLXIMEGSA-N 401.462 4.970 0 40 HJAB O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(OC(=O)c2c(F)cccc2F)cc1 409013324 UJUPDDUGBIIQMA-XDHOZWIPSA-N 423.346 4.668 0 40 HJAB O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cccc(Cn2ccnc2)c1 539446601 ITLSEWOFYJANIH-UHFFFAOYSA-N 417.513 4.592 0 40 HJAB O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1cccc(Oc2cnccn2)c1 605622970 NXUATPIBAHXGRR-UHFFFAOYSA-N 421.460 4.538 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)C1(c2nc(C3(c4ccccc4)CCC3)no2)CC1 683581002 QPEIHDHDFFVOEV-UHFFFAOYSA-N 414.914 4.656 0 40 HJAB c1ccc(CSCc2nnc3sc(-c4cc(-c5ccccc5)[nH]n4)nn23)cc1 1501039883 GTZGUDIYWXBBSZ-UHFFFAOYSA-N 404.524 4.676 0 40 HJAB O=C(c1ccc(O)cc1F)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 1627670655 XXHPHQZDCLHQSL-QHCPKHFHSA-N 424.903 4.732 0 40 HJAB O=S(=O)(NCc1cc(-c2ccsc2)cs1)c1ccc(Br)s1 1775971995 RIBZIRGSSMDGOU-UHFFFAOYSA-N 420.400 4.779 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(-c3ccc(C(=O)O)c(O)c3)o2)c1 2037873386 GJYYTRRCOIWLLD-HXUWFJFHSA-N 423.465 4.705 0 40 HJAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cccc(Cl)c1 867237 HQVXRGWXINWIMU-UHFFFAOYSA-N 421.909 4.770 0 40 HJAB Cc1ccc(S(=O)(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCCC2)cc1 923221 NAPCUIKKPUMYKU-UHFFFAOYSA-N 424.566 4.669 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(Br)o1 1311680 RYHNWLRFPSZLQQ-UHFFFAOYSA-N 403.198 4.913 0 40 HJAB CC1(C)Cc2c(sc3nc(SCC(=O)Nc4ccccc4)nc(N)c23)CS1 1791533 LBKIUFBHZJVQLZ-UHFFFAOYSA-N 416.597 4.572 0 40 HJAB CC(C)Oc1cccc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2N)c1 2246141 RMESNUJJKYAZAS-UHFFFAOYSA-N 408.449 4.757 0 40 HJAB CCSc1nc(NCCN(CC)CC)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2414609 OFGIAPSPGBEBEQ-FQEVSTJZSA-N 408.637 4.798 0 40 HJAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccccc1 2623734 UOQNPIASMGJKEU-KRWDZBQOSA-N 418.522 4.556 0 40 HJAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccc(F)c(F)c1 2631042 LFIZAFCOALQNLS-UHFFFAOYSA-N 422.456 4.698 0 40 HJAB CCCN(CC(=O)Nc1ccc(C)cc1C)CC(=O)Nc1ccc(Cl)cc1Cl 2651766 MZWLRXAVHAZVBK-UHFFFAOYSA-N 422.356 4.899 0 40 HJAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccccc1Sc1ccccc1 3386868 BGYIIJKUVFDXPJ-UHFFFAOYSA-N 404.413 4.657 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 3569795 OXFWMCSIBFLRSN-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1OC 4487842 YPNYIYVBRLQCMG-UHFFFAOYSA-N 416.433 4.955 0 40 HJAB COc1ccc(C(=O)CSc2nc3ccccc3n2CC(=O)c2ccccc2)cc1 4859301 OPJZSCVETVXVRV-UHFFFAOYSA-N 416.502 4.903 0 40 HJAB aggregator Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 5053758 MCZWQRPBPUICEI-DHIUTWEWSA-N 414.415 4.769 0 40 HJAB CCCCCCS[C@@H](CC(=O)NCc1ccccc1)C(=O)NCc1ccccc1 5418321 LCPPJWHTLGKDMI-QFIPXVFZSA-N 412.599 4.691 0 40 HJAB Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)c2)cc1 6269560 HBEFAKCUNGTFNA-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB COc1ccc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)cc1 6570916 DNSWLGGYYUGWAD-UHFFFAOYSA-N 414.461 4.550 0 40 HJAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc(F)cc1Cl 6790515 RRSCQUAXEOWYPQ-UHFFFAOYSA-N 408.911 4.674 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3C)o2)cc1 6814671 UENLJSBWIIAHHC-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB O=C(CC12CC3CC(CC(C3)C1)C2)OCc1cc(=O)n2c(n1)sc1ccccc12 6859383 QKKVPCCPVLGSBR-UHFFFAOYSA-N 408.523 4.559 0 40 HJAB Cc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3ccsc3n2)c1 7007211 PFNUNHNSFDDDOW-UHFFFAOYSA-N 407.520 4.609 0 40 HJAB COc1ccc(-c2nc(NC(=O)[C@H](NC(=O)c3ccccc3)C(C)C)sc2C)cc1 7980734 YPSWYFJEOGVFNL-LJQANCHMSA-N 423.538 4.520 0 40 HJAB CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)Cc1ccc(F)cc1 8189826 OUWQJZDNHBVRGG-GOSISDBHSA-N 413.543 4.758 0 40 HJAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCc3ccccc32)cc1 8390875 CQHLDJRWTCUSDC-UHFFFAOYSA-N 409.489 4.810 0 40 HJAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc21 8959453 VNGIQWDEAIHOHU-UHFFFAOYSA-N 406.404 4.729 0 40 HJAB COc1ccccc1[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1ccccn1 9191880 JEJIVUCYGNYPJK-FQEVSTJZSA-N 418.836 4.600 0 40 HJAB COc1ccc2c(c1)CCc1cc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)sc1-2 9253064 QQPLCLVBAHRFSI-FQEVSTJZSA-N 422.550 4.682 0 40 HJAB Cc1cnc(NC(=O)Cc2c(C)c3cc4c5c(oc4cc3oc2=O)CCCC5)s1 9341722 YLKKZYNHGCEDAM-UHFFFAOYSA-N 408.479 4.673 0 40 HJAB COc1ccc(/C=C/c2nn3c(-c4ccccc4Br)nnc3s2)cc1 9432004 RHDVBMBXBNTZQH-DHZHZOJOSA-N 413.300 4.794 0 40 HJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)s2)cs1 10215278 NWGZKKHPXBAKCR-KRWDZBQOSA-N 414.552 4.668 0 40 HJAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 10335820 FWBGCJQKDYUCGO-UHFFFAOYSA-N 412.486 4.506 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(CN3CCCC3)cc2)sc2c1CCCC2 10691155 LGNKPXWSZBMFIE-UHFFFAOYSA-N 412.555 4.652 0 40 HJAB Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 11084069 BLHTXOGDZPIHCY-UHFFFAOYSA-N 408.552 4.697 0 40 HJAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(NC(=O)c2ccccc2)n(C(C)C)c1C 12389974 JIKXHKNYNLREFF-UHFFFAOYSA-N 414.502 4.910 0 40 HJAB O=C1C[C@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2N1 12736089 ZTDBIHVMZJDFBQ-ZDUSSCGKSA-N 402.294 4.789 0 40 HJAB O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccccc1C(F)(F)F 13009577 FELZXAKCFZGMJM-UHFFFAOYSA-N 424.386 4.677 0 40 HJAB O=S(=O)(NCCc1csc(-c2cccs2)n1)c1cc(Cl)ccc1Cl 13592132 CEKIUQKXIYCMMF-UHFFFAOYSA-N 419.380 4.699 0 40 HJAB COc1cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc(OC)c1OC 14236551 KVSFDVXCAPFLSG-UHFFFAOYSA-N 410.495 4.851 0 40 HJAB CCCCCCc1c(C)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O 14606942 DZIRGFXHZHGWOG-UHFFFAOYSA-N 422.495 4.547 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c(Cl)c1 14669557 NMTXIRBHZOXUFS-UHFFFAOYSA-N 424.925 4.523 0 40 HJAB O=C(NCCc1csc2nc(-c3cccs3)nn12)c1ccccc1C(F)(F)F 17170809 UPIZMSAYGUOYFR-UHFFFAOYSA-N 422.457 4.511 0 40 HJAB FC(F)(F)c1cccc(OCCc2cc([C@H]3CCCN3Cc3ccccn3)n[nH]2)c1 19703692 NGBWHQAWJNXYNW-OAQYLSRUSA-N 416.447 4.782 0 40 HJAB Cc1cccnc1N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O 19939511 PSZGMGSVQRWOEL-JOCHJYFZSA-N 424.426 4.550 0 40 HJAB Cc1cc(C)c2c(C)c(C(=O)N[C@H](c3ccc(F)cc3)c3nccn3C)sc2n1 23778191 ZVDMIEFHPQPNOW-GOSISDBHSA-N 408.502 4.614 0 40 HJAB Cc1cccc(-n2ncc(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)c2C)c1 24691620 HSYCAFMNOSWBIX-GOSISDBHSA-N 400.482 4.650 0 40 HJAB O=C(CCC(=O)c1ccccc1)NCCC(=O)Nc1ccccc1Oc1ccccc1 25986338 FBIVVBNGESSPJP-UHFFFAOYSA-N 416.477 4.587 0 40 HJAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(F)c(F)c1 32101445 VAVYCRYDANHFSV-MRXNPFEDSA-N 416.815 4.962 0 40 HJAB COc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1)c1nccn1C 32802518 CTZCARFWINPMPN-HTAPYJJXSA-N 406.530 4.702 0 40 HJAB Cc1[nH]c2ccccc2c1[C@H]1[C@H](CCNCS(=O)(=O)c2ccc(F)cc2)C1(C)C 33434068 KYMABHKBLRJVOF-SIKLNZKXSA-N 414.546 4.766 0 40 HJAB Cc1cc(O)c(C2=Nc3ccccc3N[C@@H](c3c[nH]nc3-c3ccccc3)C2)c(=O)o1 36621420 IHKOTDKKFPYQJB-LJQANCHMSA-N 412.449 4.722 0 40 HJAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccccc1OC[C@@H]1CCCO1 48234613 JQAXQXYWJQHUMF-YJBOKZPZSA-N 403.931 4.865 0 40 HJAB C[C@@H](c1nc2scc(-c3cccs3)c2c(=O)[nH]1)N1CCC[C@@H]1c1cccn1C 57611496 YUQGDVFHHITOKI-XJKSGUPXSA-N 410.568 4.950 0 40 HJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1CN1CCSCC1 58139388 GIJCNYKSWOGZGP-UHFFFAOYSA-N 415.609 4.602 0 40 HJAB CN1C(=O)c2ccc(NC(=O)c3ccccc3SCc3cccs3)cc2C1=O 58438216 NRUBBIDUPHZAOC-UHFFFAOYSA-N 408.504 4.519 0 40 HJAB O=C(CCN1CCc2c(CN3CCCC3)cccc21)Nc1c(Cl)cccc1Cl 72308810 YXOYJBKYSQKCDA-UHFFFAOYSA-N 418.368 4.981 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)c1 136688609 UPEZTDOYBPIWHX-HVETUWLQSA-N 416.521 4.765 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 165717622 DNEHCAZKSGYQJB-LGGPRVQUSA-N 416.521 4.599 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 222979721 ADIWTHIVUPDXAX-WOJBJXKFSA-N 411.962 4.693 0 40 HJAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C 224528028 NEUMMCRFSIGHSG-YADHBBJMSA-N 406.555 4.706 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 225162380 ZEBQOSHNYAHLOC-MSOLQXFVSA-N 400.950 4.523 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C 225554387 UNQLABRGSYMHAZ-NZQKXSOJSA-N 424.585 4.713 0 40 HJAB COC(=O)c1cc(NC(=S)NCCCc2cccc(OC(C)C)c2)ccc1Cl 225565651 ORQUUMSYJDXETI-UHFFFAOYSA-N 420.962 4.833 0 40 HJAB Cc1ccc(NC(=S)NCCCSCc2ccccc2)cc1N1CCCC1=O 225599009 GTQDMKHQANBQDF-UHFFFAOYSA-N 413.612 4.732 0 40 HJAB C[C@@H]1CCCC[C@H]1N1C(=O)[C@H](CC(=O)Nc2ccccc2)n2c1nc1ccccc12 248074436 ARQJGEPDWWYSNZ-BSIFCXSSSA-N 402.498 4.532 0 40 HJAB CCCCC(=O)N1CCC[C@H]1c1nc(CCCc2ccccc2)c(C(=O)O)s1 257250907 JONIRFDZHYENMV-SFHVURJKSA-N 400.544 4.870 0 40 HJAB CSc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCC2)c1 408555768 GDPGFIYXRSQEPX-UHFFFAOYSA-N 418.584 4.580 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)c1 408695968 XDYSSJYZTZOCPO-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3)C2=O)c1 409355271 BVPHAXWFGCJYFT-LICLKQGHSA-N 400.887 4.632 0 40 HJAB CN(C(=O)c1cccc(OCc2cccs2)c1)[C@H]1CCCN(c2ccccc2)C1=O 522357044 RKWCLNOLUHFPKT-QFIPXVFZSA-N 420.534 4.595 0 40 HJAB Cc1ccc(-n2nc3ccc(NC(=O)c4cccc(Br)c4)cc3n2)cc1 885958 YNHHKJUDSJFDBW-UHFFFAOYSA-N 407.271 4.744 0 40 HJAB COc1ccc(C(=O)C[C@@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1 903133 GCTCLTKCXPVUFJ-NRFANRHFSA-N 400.521 4.853 0 40 HJAB CCOC(=O)COc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)coc2c1 950715 RXTSOJDAMYMXKI-UHFFFAOYSA-N 402.830 4.797 0 40 HJAB CCc1cccc2c(S[C@H](C)C(=O)NC[C@H]3CCCO3)nc(-c3ccccc3)nc12 1326140 DXBSMZQTBZTELF-VQIMIIECSA-N 421.566 4.635 0 40 HJAB Cc1ccc(NC(=O)c2sccc2S(=O)(=O)Cc2ccc(Cl)cc2)cc1 1393185 LLXZAZZDVKEISL-UHFFFAOYSA-N 405.928 4.936 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1c1ccc(Cl)cn1 2409981 JNPIDRGCQPDPTJ-IBGZPJMESA-N 406.800 4.730 0 40 HJAB CC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(C(C)C)cc3)c2)CC1 3024766 UUCAIZDLFFTASW-UHFFFAOYSA-N 418.534 4.622 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)cc1Cl 4123046 QVWXBEYBBHZEIO-UHFFFAOYSA-N 417.962 4.712 0 40 HJAB OCc1cnc(SCc2ccc(Cl)c(Cl)c2)n1Cc1ccc2c(c1)OCO2 4156000 UWKHKKFMMBAISG-UHFFFAOYSA-N 423.321 4.752 0 40 HJAB Cc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(F)cc2)cc1 4315955 CHGMJNZAQSKMGL-UHFFFAOYSA-N 405.450 4.746 0 40 HJAB CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(F)cc1 4671163 UNXYPDXGKLVZPG-UHFFFAOYSA-N 415.486 4.973 0 40 HJAB Cc1ccc(NC2=N[C@H](c3ccc(C(C)C)cc3)n3c(nc(C)cc3=O)N2)c(C)c1 4747337 YGHNDBYICMSUQY-QFIPXVFZSA-N 401.514 4.732 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(F)cc3)on2)sc2c1CCCC2 4880470 WZQCNGALDLBCEH-UHFFFAOYSA-N 414.458 4.850 0 40 HJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc(Cl)c4)[C@@H]3C2=O)c1 5120075 GVADMOBWKCUKNK-BDTNDASRSA-N 418.880 4.700 0 40 HJAB CCOC(=O)c1ccc(Br)cc1OC(=O)c1cc(Cl)ccc1OC 5871496 YMKHFAVOZHESSS-UHFFFAOYSA-N 413.651 4.507 0 40 HJAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1 7088888 PZBQDKSNNPPTRX-LJQANCHMSA-N 406.511 4.920 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(C)c3C)c2)cc1 7610053 MSCDFBVWMIVVNW-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CCOC(=O)c1sc(NC(=O)Cc2ccc(OCC)cc2)nc1-c1ccccc1 7614690 LXNCUHNOHKLKSJ-UHFFFAOYSA-N 410.495 4.567 0 40 HJAB CN(Cc1ccc(Br)s1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 7778014 ABHZPGWZACTNPU-UHFFFAOYSA-N 416.344 4.846 0 40 HJAB O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCc2sccc2[C@@H]1c1cccs1 7947714 DHAVPLCZYFJISL-UKKYDJSUSA-N 409.532 4.768 0 40 HJAB CC(=O)c1c[nH]c(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 7961909 SUIJJMUBAFAAAY-GOSISDBHSA-N 405.885 4.914 0 40 HJAB OC[C@H]1CCCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)C1 8177909 RKNBVENQMLSADA-INIZCTEOSA-N 402.523 4.629 0 40 HJAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)s2)cc1 9347012 GSLTYRWOIHTFPN-LLVKDONJSA-N 405.932 4.986 0 40 HJAB C[C@H]1Sc2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2NC1=O 9513920 KPXITMYEUPMXIQ-WBMJQRKESA-N 409.536 4.706 0 40 HJAB COc1ccc(CCCNc2ncc(-c3cc(C)no3)c(-c3ccco3)n2)cc1OC 12184390 VKCRTRHLXXKVAM-UHFFFAOYSA-N 420.469 4.762 0 40 HJAB Cc1ccc(NCc2cc(-c3ccccc3)c[nH]c2=O)cc1NC(=O)c1ccncc1 12223140 SYDWMUZXWHXSIZ-UHFFFAOYSA-N 410.477 4.610 0 40 HJAB COc1ccc(NC(=O)c2sc(-c3c(F)cccc3OC)nc2C)cc1OC 12389427 PDEKISZCMCSLOZ-UHFFFAOYSA-N 402.447 4.536 0 40 HJAB C[C@@H](c1nnc(SCc2cc(-c3ccccc3)on2)n1-c1ccc(F)cc1)N(C)C 12595048 LENLCJFTNRICTE-HNNXBMFYSA-N 423.517 4.976 0 40 HJAB Cc1nnc(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)n1C1CC1 12688712 XODHGOIAZWMVSQ-LJQANCHMSA-N 422.579 4.894 0 40 HJAB Cc1ccc(-c2nc(CC(=O)NC[C@@H](c3ccco3)N3CCCCC3)cs2)cc1 12903464 QNUSIDDVKWUGHO-FQEVSTJZSA-N 409.555 4.597 0 40 HJAB Cc1cccc(COc2cccc(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)c2)c1 12976170 QVRMODJCEJWDLQ-UHFFFAOYSA-N 416.521 4.902 0 40 HJAB Cc1ccc(-c2nc(CN(c3nccs3)S(=O)(=O)c3ccccc3)co2)cc1 12981051 GHJHTLUBQLZHSB-UHFFFAOYSA-N 411.508 4.502 0 40 HJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NC[C@H](c1ccccc1)N1CCCC1 13002367 LLQRCGQYXJGIGN-OAQYLSRUSA-N 423.944 4.881 0 40 HJAB Cc1cc(C)cc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)c1 14291131 OMLZVBWBTYZYHR-UHFFFAOYSA-N 413.949 4.514 0 40 HJAB COc1ccc(C(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)cc1 15778704 YUVVMLJRWHKVRQ-FQEVSTJZSA-N 419.868 4.918 0 40 HJAB COc1ccc(-c2csc(N3N=C4CC[C@H](C)C[C@@H]4[C@@]3(O)C(F)(F)F)n2)cc1 16957509 NXFZJPXBYCSWAD-KQYVJACZSA-N 411.449 4.682 0 40 HJAB C[C@H](Oc1cc(Cl)ccc1Cl)c1nnc(S)n1-c1ccc2c(c1)OCCO2 17093790 NMBQUGOGGQBRQK-JTQLQIEISA-N 424.309 4.774 0 40 HJAB CCCCOCCCNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 17441560 NAMJWPBOFIOQGL-UHFFFAOYSA-N 403.523 4.530 0 40 HJAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3Cc3c[nH]nc3C(C)(C)C)cc2N1 19520774 RBCCALCZSYUCQT-DJIMGWMZSA-N 424.515 4.938 0 40 HJAB CCc1nn(C)c(C(=O)N2CCC(c3cc(-c4ccc(F)cc4)cc(C)n3)CC2)c1C 19691188 QCBSLBOZABLHFJ-UHFFFAOYSA-N 420.532 4.820 0 40 HJAB Cc1noc(C)c1CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 22350898 KCMXLLQUIVONAB-UHFFFAOYSA-N 424.444 4.701 0 40 HJAB COC(=O)c1ccoc1CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 24103682 ZJTKXLMTMDXMCF-UHFFFAOYSA-N 418.540 4.862 0 40 HJAB Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N(C)C)oc2c1C 28290362 IHONNFHXPVRCQL-NRFANRHFSA-N 420.553 4.740 0 40 HJAB CC[C@@H](C)Nc1nnc(S[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)s1 32777512 CQEPZPFCKZIYIR-HUUCEWRRSA-N 419.620 4.858 0 40 HJAB Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(NC(=O)c2ccccn2)cc1 32933339 FELWPADKUZZNKZ-UHFFFAOYSA-N 413.433 4.654 0 40 HJAB Cc1ccc(-c2cc3c(N4CCN(c5cccc(Cl)c5)CC4)nccn3n2)cc1C 33048716 CMJWOXWAZRYROL-UHFFFAOYSA-N 417.944 4.993 0 40 HJAB Cc1cccc(-c2noc(CSc3ccc(-c4ccc5c(c4)OCO5)nn3)n2)c1 33262456 ZARURFPLSRZBNY-UHFFFAOYSA-N 404.451 4.523 0 40 HJAB Cc1cc(C(=O)Nc2cccc(Cl)c2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 33271983 SWEXJRPQGNYCGU-UHFFFAOYSA-N 412.898 4.706 0 40 HJAB CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 44932167 NJPUMDCCHBCZBP-FQEVSTJZSA-N 400.950 4.656 0 40 HJAB O=C(NCc1ccc(Cl)cc1)N1CCC(Oc2nc3c(F)cccc3s2)CC1 49443060 HKEFPQZNNNPMLW-UHFFFAOYSA-N 419.909 4.842 0 40 HJAB Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(=O)n(Cc4ccccc4Cl)c3)c2)cs1 65593767 VWKNRLGKCROMLN-UHFFFAOYSA-N 424.913 4.562 0 40 HJAB Cc1cccc(NC(=O)CSCC(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)c1 72304728 OKQZBNUPNLEPFC-LPHOPBHVSA-N 400.544 4.568 0 40 HJAB Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)COc3c(C)cccc3C)n2)n1 72375571 UVPYTJTYVAENGI-LJQANCHMSA-N 422.554 4.949 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)c1 96037505 XEBVNUUWXNEQQE-XMMPIXPASA-N 402.542 4.819 0 40 HJAB CC(C)Oc1ccc(-c2noc(-c3nn(-c4ccccc4)c(=O)c4ccccc34)n2)cc1 96511503 HMYACTCBNVHINB-UHFFFAOYSA-N 424.460 4.890 0 40 HJAB Cc1ccc(/C=C2/N=C(SCc3ccc(F)cc3)N(C[C@@H]3CCCO3)C2=O)cc1 96905129 MABUWSVLWAJPDT-DZSVRRGNSA-N 410.514 4.786 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(C)cc3C)cc2)cc1 113936633 LYLMVDVAUJRJEW-LJQANCHMSA-N 422.550 4.904 0 40 HJAB C[C@@H]1c2cc(Br)c3c(c2N(C(=O)OC(C)(C)C)C(C)(C)[C@H]1O)CCC3 141455520 LKLBCJPIEGADQE-DIFFPNOSSA-N 410.352 4.936 0 40 HJAB O=C(CSC(=S)N1CCC(Cc2ccccc2)CC1)Oc1ccc(F)cc1F 215679030 ITGXKGNAPVYFGC-UHFFFAOYSA-N 421.534 4.843 0 40 HJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(OC)c(OC)c1 219385331 FQZPSAQNRDKFIN-HXUWFJFHSA-N 407.963 4.977 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccnc2)c1C 222954617 HHNUGKXEVQPUMA-FCHUYYIVSA-N 405.571 4.657 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 223700782 VNRZKBWSGFKFDM-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB Cc1cccc(CN(C(=O)CSCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 223793114 PCFRRKKUWCRAJN-HXUWFJFHSA-N 424.610 4.704 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCC3CCCCC3)ccc2Cl)c1 223960163 HGCCLLJAOAERKB-UHFFFAOYSA-N 420.962 4.759 0 40 HJAB CCCCCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224067627 RPNDJKGXYBALLC-UHFFFAOYSA-N 415.342 4.714 0 40 HJAB Cc1ccc(SCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224077813 ASOVJTJXYNEMHF-FQEVSTJZSA-N 424.610 4.606 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CSc1ccccc1 224155944 JSVUGOUUYAHRLL-HSZRJFAPSA-N 424.610 4.953 0 40 HJAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 224423620 YSPIURSTILCELQ-YADHBBJMSA-N 415.497 4.584 0 40 HJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)cc1Cl 224947638 GUJHJCZKORRSBY-ROUUACIJSA-N 401.944 4.982 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 225720891 BTPPQTPIVQOYKM-QFIPXVFZSA-N 412.599 4.809 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC(C(C)C)C(C)C)ccc1Cl 408547425 JJSBQJDONNCJJS-UHFFFAOYSA-N 422.978 4.860 0 40 HJAB CCOc1c(I)cc(CNc2ccccc2Cl)cc1OC 409178553 LAZCVHLZASVWSP-UHFFFAOYSA-N 417.674 4.964 0 40 HJAB O=C(CCc1ccccc1Br)NC[C@H](c1ccsc1)c1ccco1 675007958 HMCROWIGUZOAPE-MRXNPFEDSA-N 404.329 4.985 0 40 HJAB O=C(NOCCOc1ccccc1)c1cc(-c2ccccc2)nc2cc(F)ccc12 1159227987 FOVOMAMTKYWBFK-UHFFFAOYSA-N 402.425 4.781 0 40 HJAB Cc1ccsc1C(=O)Nc1ccc(OC(=O)c2n[nH]c(C)c2C(F)(F)F)cc1 1616750083 WJAHDWXVHILQGF-UHFFFAOYSA-N 409.389 4.578 0 40 HJAB CC(C)COc1cccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)ccc2O)c1 678830 BANZSABFRWTVBH-UHFFFAOYSA-N 400.544 4.851 0 40 HJAB O=C(Nc1nccs1)c1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1 818570 IQEYGSJBVIIBFY-UHFFFAOYSA-N 418.507 4.507 0 40 HJAB COc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccc(C)cc3)C3CCCC3)cc2c1 880126 ITOAYLRDVHGRJE-UHFFFAOYSA-N 421.566 4.987 0 40 HJAB Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4ccco4)C[C@@H]3c3ccco3)sc2n1 1016806 VSKCVHOPJHYZTR-CQSZACIVSA-N 406.467 4.673 0 40 HJAB COc1cccc(N2CCN(C(=O)/C(=C/c3cccs3)c3ccccc3)CC2)c1 1399020 HOYCMSMLACIAQF-PTGBLXJZSA-N 404.535 4.646 0 40 HJAB CCCCNC(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F 2262449 WOVQHEGCERNOTF-ONGXEEELSA-N 406.861 4.788 0 40 HJAB COc1cccc(-c2nc(Oc3cccc(NC(C)=O)c3)c3ccccc3n2)c1O 2326013 SJRFNJPITNTMGE-UHFFFAOYSA-N 401.422 4.762 0 40 HJAB CCCc1cc(=O)oc2cc(OS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc12 3283613 DHZSENAVPCPSAS-UHFFFAOYSA-N 400.496 4.747 0 40 HJAB CCOc1ncccc1C(=O)O[C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 3344611 MHPOXNFAALFJPD-FQEVSTJZSA-N 424.884 4.979 0 40 HJAB C[C@@H](c1nnc(S[C@H](C)C(=O)c2ccccc2)n1-c1ccc(Cl)cc1)N(C)C 3376220 HSSGSUOZYDUZBF-LSDHHAIUSA-N 414.962 4.907 0 40 HJAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 3441294 XZLITVZDXIUYHN-UHFFFAOYSA-N 401.418 4.602 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 3984998 PGSWBIZOBGMFIQ-HYUOFNBHSA-N 416.631 4.567 0 40 HJAB biogenic CCCCSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1 4059402 CHQRSOCMCUXQDM-UHFFFAOYSA-N 424.614 4.992 0 40 HJAB COc1cccc(CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)c1 4269168 PAWODNMFYMMEEJ-UHFFFAOYSA-N 417.490 4.964 0 40 HJAB O=C1CC2(CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)Oc2ccccc21 4505622 OYVCMNYBJGEONO-UHFFFAOYSA-N 411.501 4.845 0 40 HJAB O=C(O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccc(N2CCOCC2)cc1 5009082 KWGQDSBEOIVMSA-UHFFFAOYSA-N 417.387 4.532 0 40 HJAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 5478469 IIFWJDCWGFZYGU-UHFFFAOYSA-N 410.543 4.731 0 40 HJAB O=C(Nc1cccc(Cl)c1)Nc1ccccc1NS(=O)(=O)c1cccs1 6147122 ASLMSVLPUIFLIY-UHFFFAOYSA-N 407.904 4.846 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 6364784 XOTWSDUALIDCNX-UHFFFAOYSA-N 400.434 4.527 0 40 HJAB Cc1cc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc(C)c1Cl 6736982 OWOLRHICPHWJJO-UHFFFAOYSA-N 413.905 4.823 0 40 HJAB CCCn1c(C)cc(C(=O)CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)c1C 6888301 CDYMLPNFLACLSK-UHFFFAOYSA-N 418.950 4.937 0 40 HJAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7882025 HDUWYKIYPKBRCJ-SNVBAGLBSA-N 413.688 4.647 0 40 HJAB CC(C)c1ccc([C@H](NC(=O)c2nn(C)c(=O)c3ccccc23)c2cccs2)cc1 8313115 LHFIZFZYKBCJPP-NRFANRHFSA-N 417.534 4.638 0 40 HJAB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 8393373 TVKJWAFLMMKJCC-MRXNPFEDSA-N 419.481 4.885 0 40 HJAB CS(=O)(=O)Cc1cccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)c1 8877942 IGBQXQMJPSTVAN-UHFFFAOYSA-N 422.531 4.760 0 40 HJAB CCN(C(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 9054020 ZQWLVHUKVHCYDE-HNNXBMFYSA-N 410.518 4.953 0 40 HJAB N=C1NC(=O)S/C1=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1 9244786 KFBKFUXDKAAVIE-NVNXTCNLSA-N 422.293 4.785 0 40 HJAB O=C(Cc1ccccc1)Nc1nnc(SCc2ccc(Br)cc2)s1 9366797 RZRDXLUEZFBMJI-UHFFFAOYSA-N 420.357 4.774 0 40 HJAB Fc1cccc(Nc2nc(NCc3cccnc3)nc3c2cnn3-c2ccccc2)c1 9573585 ZKZXJIXYBHMIER-UHFFFAOYSA-N 411.444 4.705 0 40 HJAB COc1ccc(C(=O)c2cn(Cc3ccccc3F)c3c(F)cc(F)cc3c2=O)cc1 9610738 ZFBHYWKQXIGALF-UHFFFAOYSA-N 423.390 4.707 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2ccccc2O)nnc1-c1ccc(Cl)cc1 9615084 BINHXLMSKPWJMM-UHFFFAOYSA-N 416.934 4.691 0 40 HJAB Cc1c(-c2nsc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)nnn1-c1ccccc1 9940788 AFBBPCWGEQMTMZ-UHFFFAOYSA-N 418.526 4.644 0 40 HJAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1 10253757 BIKIHGVKXJVZPW-UHFFFAOYSA-N 420.962 4.936 0 40 HJAB CCCN1C(=O)N[C@H](c2cccc(Cl)c2Cl)C(C(=O)Nc2cc(C)on2)=C1C 10355552 VBBMVDNFYRUEOV-QGZVFWFLSA-N 423.300 4.679 0 40 HJAB O=C1CCc2cc(S(=O)(=O)Nc3ccccc3SCc3ccccc3)ccc2N1 12605763 NFTZSTTXVQNPPQ-UHFFFAOYSA-N 424.547 4.664 0 40 HJAB CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3cnc(C)cn3)sc2c1 12800527 AFKGZPLCSNVAPW-UHFFFAOYSA-N 404.495 4.640 0 40 HJAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)o2)cc1 12803538 ALCDGDXKAIURJU-CABCVRRESA-N 409.511 4.594 0 40 HJAB Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccncc1)O2 13036198 SXCXSEUNERFHMP-GCJKJVERSA-N 405.841 4.706 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N(C)CC(=O)Nc2ccc(F)cc2)c1 13056695 NFQLZNPPKRVKFL-DEOSSOPVSA-N 419.500 4.693 0 40 HJAB Cc1ccc(S(=O)(=O)NC[C@@H](Sc2nc3ccccc3o2)c2ccccc2)cc1 13149347 NPEXNPLJKZQEAS-OAQYLSRUSA-N 424.547 4.948 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccc(Br)cc2)c1 13674149 DPIMHHAWJQCDKT-UHFFFAOYSA-N 422.344 4.806 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(F)c3)[C@H]2C(=O)N1c1ccccc1Cl 13805693 BGTBINSKIDETII-QHAWAJNXSA-N 422.843 4.530 0 40 HJAB NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccc(Br)cc1 13940660 GJFHIHTTZBDBTR-PGMHBOJBSA-N 412.070 4.833 0 40 HJAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)C1C[C@@H]2CCC[C@H](C1)C2=O 14673228 BNEAEVNAZZBINV-NNQSOWQGSA-N 406.313 4.572 0 40 HJAB Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(C)c(Cl)c3)c2C(F)(F)F)cc1 16311665 PYMOHJFSDTXOKG-UHFFFAOYSA-N 418.810 4.804 0 40 HJAB COc1ccc(CN(C(=O)Nc2ccccc2C)c2nnc3n2CCCCC3)cc1 16769860 FMNRYZDASJGNGJ-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)nn2)s1 16991864 SDBLIUZDBMPXFF-UHFFFAOYSA-N 424.473 4.967 0 40 HJAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CCCC[C@@H]2C)cc1 17091283 ULCOKLBVHZZEAA-AWEZNQCLSA-N 417.962 4.854 0 40 HJAB O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 19292887 AYRYYEHYEXSHNL-CRAIPNDOSA-N 424.397 4.929 0 40 HJAB CCCc1ncc(-c2cc(C)no2)c([C@H]2CCCCN2C(=O)Cc2cccc(C)c2)n1 19525549 VBUJCQBUCHTJJB-OAQYLSRUSA-N 418.541 4.997 0 40 HJAB O=C(CN1CCC[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)Nc1ccccc1F 19688227 IBLOZMFRZKLOKH-HXUWFJFHSA-N 421.491 4.769 0 40 HJAB Cn1cc(CN2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 19690308 ZTJMPQXKZLCCCE-HXUWFJFHSA-N 414.475 4.804 0 40 HJAB CCC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCC(Cc2ccccc2)CC1 20098283 BBOGMAUAIWZMEI-NRFANRHFSA-N 409.603 4.924 0 40 HJAB Cc1ccc2nc(-c3ccccc3)c(CN3CCN(c4ccccc4F)CC3)n2c1 20366666 LJYNXMMMAARRQC-UHFFFAOYSA-N 400.501 4.771 0 40 HJAB CC[C@](O)(c1ccc(OCCC(C)C)cc1)[C@H](CN1CCOCC1)c1ccccc1 20868873 ROHDAMDNCHTNMF-FTJBHMTQSA-N 411.586 4.825 0 40 HJAB Cn1c(SCc2c(F)cccc2Cl)nnc1-c1ccc2c(c1)OCCCO2 21723278 FAYMGKYJGSQFOF-UHFFFAOYSA-N 405.882 4.728 0 40 HJAB CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3ccc(C=O)nc32)CC1 22059658 VZKHKNGVLJMSMN-UHFFFAOYSA-N 410.901 4.700 0 40 HJAB in-vitro CC[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1 22530007 UPOFCPBIGKRWGD-URXFXBBRSA-N 420.534 4.935 0 40 HJAB Cc1nc(COc2cccc(C(=O)NCc3ccc(Br)s3)c2)cs1 25474196 RXLHQWCVVPVUGU-UHFFFAOYSA-N 423.357 4.785 0 40 HJAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)Cc1ccc(Br)cc1 27922509 TYJBEJZPZNEKME-UHFFFAOYSA-N 416.294 4.631 0 40 HJAB O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)C12CC3CC(CC(C3)C1)C2 29275834 WXFNAZLVKYFKJQ-UHFFFAOYSA-N 408.521 4.966 0 40 HJAB COc1cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(OC)cc1Cl 30942670 DYGTZIVAVWVKFT-OAHLLOKOSA-N 423.340 4.861 0 40 HJAB COc1ccc(-c2nnc([C@H](C)Sc3nnc(COc4ccc(C)cc4)o3)o2)cc1 31621233 RZYMBKLLESACHF-AWEZNQCLSA-N 424.482 4.869 0 40 HJAB C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)NC(c1ccccc1)c1ccccc1 32810915 IRANENJVFXUZIY-IBGZPJMESA-N 413.521 4.520 0 40 HJAB COC(=O)c1c(NC(=O)C2=Cc3cc(C)ccc3OC=C2)sc2c1CC[C@@H](C)C2 33321279 BIZYWILXPXGNII-CQSZACIVSA-N 409.507 4.896 0 40 HJAB FC(F)(F)c1nc2ccccc2n1CC1CCN(Cc2cn3ccccc3n2)CC1 36708938 JBAHNGCOMUMACN-UHFFFAOYSA-N 413.447 4.615 0 40 HJAB COc1cccc(-c2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)cs2)c1OC 40057528 OPJOCZWXSWAYOV-UHFFFAOYSA-N 417.870 4.520 0 40 HJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)cc2C)nc1 67294389 LOCUWJFSWULBHD-RWEWTDSWSA-N 403.413 4.774 0 40 HJAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C1c2ccccc2Oc2ccccc21 70640049 VRZMTYQEHYKXOB-SFHVURJKSA-N 413.395 4.793 0 40 HJAB COc1ccc([C@H](C)NC(=O)c2sc(NC3CCCCC3)nc2C)cc1OC 71326707 HVGRYFHKLDCSKD-ZDUSSCGKSA-N 403.548 4.704 0 40 HJAB CNc1ncccc1CN1CCCC[C@H]1c1nc(N)ncc1-c1cccc(Cl)c1 72377244 CVMMNLCYTPKAPS-IBGZPJMESA-N 408.937 4.543 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 223686917 OSCFAUSOPFLNGJ-DEOSSOPVSA-N 424.585 4.878 0 40 HJAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1Cl 223965721 YFXYMGNFIMXAEB-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C 224023911 ICVFXLBBHTYHQN-DEOSSOPVSA-N 424.585 4.578 0 40 HJAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)cc1C 224166725 PZXPXBSLYCKJIZ-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB COc1ccc2cc(S(=O)(=O)NCCCc3cccc4ccccc34)ccc2c1 225104583 KVAHEZOSROAUQG-UHFFFAOYSA-N 405.519 4.913 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)c1 225738438 XUVBQRBXHADRGY-UHFFFAOYSA-N 424.547 4.529 0 40 HJAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1cc(-c2ccc(F)cc2)on1 225900219 PWBKETZJWKDLQG-LLVKDONJSA-N 401.235 4.835 0 40 HJAB O=C(Nc1cc(C(F)(F)F)c(Br)cc1Br)C(F)(F)F 226359446 FXSXCNJBTPAOMJ-UHFFFAOYSA-N 414.925 4.731 0 40 HJAB CCOc1ccc(C2=NN3[C@H](c4cccnc4)Oc4c(OC)cccc4[C@H]3C2)cc1 240067716 RZVWGTYZSLYWKF-QPPBQGQZSA-N 401.466 4.731 0 40 HJAB O=C(CN1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)Nc1ccc(F)cc1 257265268 LXYFUKPQBJCZCA-FQEVSTJZSA-N 421.491 4.769 0 40 HJAB CCc1onc(C)c1C(=O)N1CCCC[C@H]1c1nnc(-c2nccc3ccccc23)o1 257332963 XZLXCCVACQUPFL-KRWDZBQOSA-N 417.469 4.511 0 40 HJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(N(C)C)cc2)S1 260788303 YNDQMVXMFNNXHA-URZJWIJPSA-N 403.555 4.528 0 40 HJAB CSc1nc(N2CCCCC2)c2cc(C(=O)N(C)Cc3ccccc3)sc2n1 408620191 KYBUXCOMLGMCEU-UHFFFAOYSA-N 412.584 4.676 0 40 HJAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1 408674642 AWWYSMTULQLKGX-UHFFFAOYSA-N 412.445 4.507 0 40 HJAB NC(=O)/C=C\c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 409416152 XADPYHMRIONBIK-RJRFIUFISA-N 419.077 4.973 0 40 HJAB COCC[C@@](C)(O)CNC(=O)Nc1ccc(Sc2ccc(C(C)C)cc2)cc1 523931129 HQWSHYTUMBBEKD-JOCHJYFZSA-N 402.560 4.870 0 40 HJAB FC(F)(F)Oc1ccccc1[C@H]1C[C@@H]1c1nc(-c2ccc(N3CCCC3)cn2)no1 546503512 QBNKPPXVKGNGBR-CVEARBPZSA-N 416.403 4.902 0 40 HJAB O=C(Cc1ccccc1O)N1CC2(CCOCC2)c2cc(-c3cccc(F)c3)ccc21 585105700 DYQGXHYAFLWFLW-UHFFFAOYSA-N 417.480 4.836 0 40 HJAB CC1(C)C[C@]2(CCCN2C(=O)c2ncccc2C(F)(F)F)CN1c1cccc(F)c1 2037988595 ZMWVHKKXNDZJPE-OAQYLSRUSA-N 421.438 4.903 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1C 796354 LGQLLIDZYBBRES-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB COc1ccccc1C(=O)N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 808597 GXVHNUFTXVCMDX-HNNXBMFYSA-N 408.112 4.887 0 40 HJAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)sc(C)c1C 1102536 QXMSRGXXOOWLSK-SECBINFHSA-N 402.299 4.864 0 40 HJAB CCCCCOC(=O)Cn1cnc2scc(-c3ccc(OCCC)cc3)c2c1=O 1911962 MYFZSLLCHLPBLO-UHFFFAOYSA-N 414.527 4.647 0 40 HJAB Cc1ccccc1NC(=O)c1sc2ncn(Cc3ccc(F)cc3)c(=O)c2c1C 1971188 PRNGSBWZYFRJFT-UHFFFAOYSA-N 407.470 4.515 0 40 HJAB CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(COc2ccccn2)c1 2244418 WZCLAIOROSNKBI-HSZRJFAPSA-N 403.482 4.646 0 40 HJAB COc1ccc(-n2c(S[C@@H]3CCCCC3=O)nnc2-c2cccc(OC)c2)cc1 2616702 OCCUODMNIUUNFW-HXUWFJFHSA-N 409.511 4.555 0 40 HJAB O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(Cl)cc1 2648538 IMYGDYUREVBEED-UHFFFAOYSA-N 419.912 4.555 0 40 HJAB Cc1ccc2c(c1)C1=C([C@@H](c3cccs3)O2)[C@@H](c2ccccc2F)N2N=CNC2=N1 2707236 REPITCNPHAZQEL-FGZHOGPDSA-N 416.481 5.000 0 40 HJAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1OC(F)F 3279918 ZBBACQPTZMCNAY-UHFFFAOYSA-N 411.404 4.679 0 40 HJAB Cc1ccc(-n2c(=O)c3ccccc3n3c(SCc4ccccc4)nnc23)c(C)c1 3372034 IJQDDVQSFXTTAJ-UHFFFAOYSA-N 412.518 4.943 0 40 HJAB C[C@H](OC(C)(C)C)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 4240323 UFJMOCVIPRJMLW-YCRPNKLZSA-N 411.498 4.572 0 40 HJAB Cc1nc2sc3c(c2c2nnc(SCC(=O)c4ccccc4)n12)CC[C@H](C)C3 4848045 ZKYCMNLGWHQSIL-LBPRGKRZSA-N 408.552 4.747 0 40 HJAB COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1CC(=O)Nc1ccc(C)cc1C 5215581 ZXPIQNFUJMPRQO-QGUKFAFCSA-N 422.569 4.619 0 40 HJAB Nc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)c2nc3ccccc3s2)cc1 5594352 SKQMTVAPBZOAHA-WQRHYEAKSA-N 415.474 4.535 0 40 HJAB CCCCc1cc(=O)oc2cc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c(Cl)cc12 5897278 LZXDHGMUEMCYDM-GFCCVEGCSA-N 423.893 4.608 0 40 HJAB biogenic COC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CCC(=O)O 6179762 BUSJNWYCLYDELO-UHFFFAOYSA-N 409.463 4.672 0 40 HJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2ccccc2)nc2ccccc12 6248790 VJRXGOBSYLEFQY-UHFFFAOYSA-N 409.489 4.991 0 40 HJAB Cc1cccc(Nc2nnc(SCC(=O)N(C)Cc3cccc(Cl)c3)s2)c1 7291941 HQDNMHITBYGFSY-UHFFFAOYSA-N 418.975 4.994 0 40 HJAB C[C@H]1CSC(N(C(=O)/C=C/c2ccc3c(c2)OCCO3)c2ccc(Cl)cc2)=N1 7778655 ZGCQCQJILGWJLB-WMKWSGJFSA-N 414.914 4.649 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)O 8434547 GJDPCZATJXNJHI-UHFFFAOYSA-N 408.841 4.851 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)c1 8473109 HVOBCGWOMSYFRV-FGZHOGPDSA-N 416.521 4.909 0 40 HJAB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc(O)cc2)c1 8664944 ODXNFPKTTIVQOH-QFIPXVFZSA-N 412.445 4.569 0 40 HJAB Cc1nc(Nc2ncc3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)nc2c(C)cccc12 9350973 JMYMSKHUILEJJA-INIZCTEOSA-N 413.456 4.832 0 40 HJAB CC(=O)Nc1ccc(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)cc1 9503406 XSTGWJBWFAIXBC-UHFFFAOYSA-N 406.467 4.951 0 40 HJAB Cc1ccccc1-c1nnc(SCc2nnc(-c3ccc(Br)o3)o2)o1 9593087 CISDGQIZISKHHO-UHFFFAOYSA-N 419.260 4.743 0 40 HJAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 10253435 BTLDGUFISKXCQE-UHFFFAOYSA-N 420.490 4.929 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccn4c3NC(C)(C)C)C2)s1 12088149 RINUEJDFBHKXGH-HNNXBMFYSA-N 412.559 4.635 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(Br)cc2)c(OC)c1 12793081 DJIQFOWJKUDARW-UBIUBJKMSA-N 416.315 4.843 0 40 HJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 12920146 ZDUYHAJQUJCVEM-QGZVFWFLSA-N 415.493 4.720 0 40 HJAB CC(C)c1ccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 13669844 MPUFISPGCHULOK-UHFFFAOYSA-N 422.550 4.668 0 40 HJAB COc1cc(CSc2nc(-c3ccccc3)n[nH]2)c(OC)cc1Br 14092773 UOJNGQBLMIHTMJ-UHFFFAOYSA-N 406.305 4.544 0 40 HJAB CC(C)n1ncc2cc(NC(=O)C3C[C@@H]4CC[C@H](C3)C43SCCS3)cnc21 14197221 RMOPHFORYIXPHG-VHRNVKJDSA-N 402.589 4.563 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 14232877 LTGLKYFUVRAZDK-QFIPXVFZSA-N 406.482 4.546 0 40 HJAB CCCSc1nnc(NC(=O)C2=Cc3cc(Cl)cc(OC)c3OC=C2)s1 15838735 XBINHQWZFZTWQN-UHFFFAOYSA-N 409.920 4.630 0 40 HJAB CCOc1ccc(Nc2nc(N3CCCC3)nc3c2cnn3-c2ccccc2)cc1 17308011 ZCWLPPGMWOBINS-UHFFFAOYSA-N 400.486 4.558 0 40 HJAB C[C@@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 17962773 ZLHAPDIWSZBVPP-CYBMUJFWSA-N 401.293 4.754 0 40 HJAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(CCCOc3ccccc3)CC1)N2 19128983 BGHHIYHBYGKSPX-VQTJNVASSA-N 422.495 4.660 0 40 HJAB Cc1nc(C)c(CC(=O)Nc2nnc([C@H](C)Oc3cccc(C)c3C)s2)s1 19235691 DOHMVHQJYMAHMC-ZDUSSCGKSA-N 402.545 4.549 0 40 HJAB CC(C)c1cc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)no1 19452678 NORHPLFGGLWSGI-UHFFFAOYSA-N 406.408 4.713 0 40 HJAB Cc1ccc(Cc2ccc([C@H]3CN(Cc4c(C)nn(C(C)C)c4C)CCO3)nc2)cc1 19692288 IOFYOVBXUWONAT-AREMUKBSSA-N 418.585 4.949 0 40 HJAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20468051 KODRBGQNJNPHNP-UHFFFAOYSA-N 408.523 4.863 0 40 HJAB Cc1ccc(N2CCC[C@@H](C(=O)N(C)Cc3nc(-c4ccc(Cl)cc4)no3)C2)cc1 22255868 XEMNBOQKHHZLJM-GOSISDBHSA-N 424.932 4.573 0 40 HJAB COc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1 28291867 HFVZEYYXMVGCLK-DEOSSOPVSA-N 410.558 4.541 0 40 HJAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2oc(=O)[nH]c2c1 30252956 HLSYTNVIRMLIAI-UHFFFAOYSA-N 404.209 4.644 0 40 HJAB CCOc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4ccc(F)cc4)nn32)cc1 32087707 SFDQSMOXWCPKJI-SFHVURJKSA-N 408.433 4.568 0 40 HJAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCC(OCc2ccccc2)CC1 32904011 BOFAVIOPDKDMIC-UHFFFAOYSA-N 420.509 4.692 0 40 HJAB CC(C)n1c([C@H](C)NC(=O)CN2CCC(c3ccccc3)CC2)nc2ccccc21 35316858 ATAGWYYEZDIFKC-IBGZPJMESA-N 404.558 4.674 0 40 HJAB C[C@H](NC(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)c(Cl)c1 36394539 HBJPBBQCVUANPA-LBPRGKRZSA-N 407.297 4.598 0 40 HJAB COc1ccc(OC)c([C@@H](C)NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)c1 40079634 XQHRGBJLWXJJLT-MOVXZBDNSA-N 418.493 4.568 0 40 HJAB CC(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cc1 40157248 KRYUNWYZZKSSEN-JOCHJYFZSA-N 414.465 4.577 0 40 HJAB O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cc(Br)ccc1Cl 40157299 BQPOKEILQZGFIA-SFHVURJKSA-N 422.706 4.755 0 40 HJAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C)cc1Cl 46418948 BEFJWKUSDBXFPD-KRWDZBQOSA-N 407.297 4.554 0 40 HJAB CCCOc1cc(C)ccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 48290277 CCCGCTRJANFAEN-UHFFFAOYSA-N 411.452 4.989 0 40 HJAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(F)c3)oc12 67295691 FZULPAUKDMUUJM-RWEWTDSWSA-N 403.413 4.769 0 40 HJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cc(C)ccc3F)oc12 67299127 SYMZBQYDOHQJGI-RWEWTDSWSA-N 406.413 4.644 0 40 HJAB COc1cc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCCC2)cc(OC)c1O 71284691 MXPVTTUGLJIUTH-GOSISDBHSA-N 403.504 4.703 0 40 HJAB C[C@H](Cc1ccc2c(c1)OCO2)c1nc2cnccn2c1NCc1ccc(F)cc1 72389394 BSIYBNSICDHVGX-OAHLLOKOSA-N 404.445 4.555 0 40 HJAB O=C(Nc1nncs1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 72401786 DOPWXLUGVCOKFG-IBGZPJMESA-N 418.522 4.624 0 40 HJAB CCOC(=O)CO[C@@H](c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 88365513 LCEBXWZIFJGFHT-APWZRJJASA-N 411.926 4.608 0 40 HJAB C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 98064870 ZFUOSFOFDDSMKQ-MDJJKAFGSA-N 418.946 4.767 0 40 HJAB COc1cccc(C2=C[C@H](c3ccc(OCc4ccccc4)cc3)n3ncnc3N2)c1 101095042 PNPITHVDDPPCRZ-XMMPIXPASA-N 410.477 4.922 0 40 HJAB CSc1cccc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)c1 101700402 JHCGEHIYTLJYIL-CALCHBBNSA-N 407.539 4.564 0 40 HJAB CCCCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 113563811 RHSQVSHCXWIHHF-HXUWFJFHSA-N 410.539 4.856 0 40 HJAB Cc1cccc(CSCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 223753512 YMDFKAWURGCYJA-FQEVSTJZSA-N 424.610 4.704 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 225005847 UAQHTXHLEVHHQE-QZTJIDSGSA-N 400.950 4.605 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)N[C@H](C)CC)cc1 225239177 MQDGUFLVXHXOGT-MOPGFXCFSA-N 412.549 4.653 0 40 HJAB O=C(c1cccc(Cl)c1)N1CCS/C1=C/c1nc(-c2ccccc2F)no1 225241952 JVZBYKSZMYGTEC-GZTJUZNOSA-N 401.850 4.717 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=S)NCCSCc2ccc(C)cc2)c1 225293534 OMNLOQDJCCGCEE-UHFFFAOYSA-N 408.976 4.655 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCc1ccccc1 225354565 KKOXZEYGTGYQQF-VWLOTQADSA-N 420.597 4.918 0 40 HJAB Cc1ccc(CN(C(=O)CCSc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225518287 ZJPSEIZYCRAXJL-FQEVSTJZSA-N 412.599 4.728 0 40 HJAB O=C(c1ccc2ncsc2c1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390829372 DWPUUCLJLBBFFT-UHFFFAOYSA-N 408.449 4.597 0 40 HJAB CC[C@H](Oc1ccccc1OC)C(=O)NCCSCc1c(F)cccc1Cl 408678849 IMVWXPWQKHUOLE-KRWDZBQOSA-N 411.926 4.695 0 40 HJAB C[C@@H]1CCC2=NN(C(=O)c3ccc(-c4ccccc4)cc3)[C@](O)(C(F)(F)F)[C@H]2C1 409057136 IUICRTWDGCNVTC-YMTYPPQLSA-N 402.416 4.853 0 40 HJAB CC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)o2)cc1 409238177 LYILNGKJEGXUGS-FYJGNVAPSA-N 400.434 4.551 0 40 HJAB Cc1ccc(C)c(CC(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 1584706898 UIPUQVNIHZWWJH-HSZRJFAPSA-N 400.513 4.856 0 40 HJAB O=C1CSC2=NC3=C(CCc4ccccc43)[C@H](c3ccc(Br)cc3)N12 1411889 HDAFPNSPZGSCSS-IBGZPJMESA-N 411.324 4.793 0 40 HJAB O=S(=O)(Nc1cccc(CCc2ccccn2)c1)c1cccc(C(F)(F)F)c1 1426018 ASDDEXSYVOKLIK-UHFFFAOYSA-N 406.429 4.686 0 40 HJAB Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1 2247187 SBXYGTTZCWHMPV-PKTZIBPZSA-N 414.415 4.769 0 40 HJAB COCCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc2ccccc21 2623774 FMWVZVCIDUHOGX-UHFFFAOYSA-N 410.326 4.720 0 40 HJAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)c1ccc(F)cc1 3324924 WPZHXPKYZJRPGE-UHFFFAOYSA-N 422.456 4.698 0 40 HJAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2C)cc1Br 4562129 CIUGZIMYYBSWPC-UHFFFAOYSA-N 407.333 4.591 0 40 HJAB O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc(Cl)cc1 4784372 SLWTXLYAQWMBCB-VWLOTQADSA-N 419.908 4.780 0 40 HJAB CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(Br)cc1C(=O)O 4819852 FIIOADBBMNRRFZ-LBPRGKRZSA-N 406.276 4.678 0 40 HJAB CC1(C)C[C@@H](NC(=O)c2cccc(F)c2)C[C@@](C)(CNC(=O)c2cccc(F)c2)C1 4948401 LDIXUERNYDPSEP-HYBUGGRVSA-N 414.496 4.710 0 40 HJAB CC1=C(C)C[C@H](C(=O)Nc2ccc(NC(=O)NC3CCCCC3)cc2)[C@@H](C(=O)O)C1 4949778 TUDXFVSBNYXLLX-PMACEKPBSA-N 413.518 4.527 0 40 HJAB Cc1cccc2sc(N(CCCN(C)C)C(=O)CSc3ccc(F)cc3)nc12 5239615 YXUQJLLGNHYZGO-UHFFFAOYSA-N 417.575 4.821 0 40 HJAB COc1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)c(OC)c1 6065153 QDWLPIFVCJITFJ-RCCKNPSSSA-N 414.461 4.652 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)/C=C/c1ccc(Br)o1 6066310 LNVXAECAQUEMGT-CSKARUKUSA-N 406.276 4.669 0 40 HJAB CC(C)c1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@H]2CCCO2)cc1 6752773 HUAVZAOLFRNFND-HOYKHHGWSA-N 417.509 4.630 0 40 HJAB CC(C)n1c(SCC(=O)Nc2cccc(F)c2)nc2c(oc3ccccc32)c1=O 6819944 QRGRKUNMMNBAJR-UHFFFAOYSA-N 411.458 4.594 0 40 HJAB O=C(N[C@H]1CCOc2ccccc21)c1cn(-c2ccccc2)nc1-c1cccs1 7215340 MMVAZTDZYVYXSS-IBGZPJMESA-N 401.491 4.854 0 40 HJAB CC(=O)Nc1ccc(SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 7393826 GKEWKWJNUNWPJQ-UHFFFAOYSA-N 404.491 4.872 0 40 HJAB CCc1nnc(S/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)O)o1 7508303 XLDBYYRAGPPTDN-BOPFTXTBSA-N 400.431 4.568 0 40 HJAB CC(C)[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 7814408 HMZLRYQVDCHOTL-BTYIYWSLSA-N 403.906 4.782 0 40 HJAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)NCCc1cccs1 7830220 JIGHXEURCBDRRX-UHFFFAOYSA-N 411.577 4.871 0 40 HJAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 7928245 LNDVKNSUTXOUPL-GOSISDBHSA-N 416.477 4.869 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1 8164929 FEMUWMOCJLSXJE-INIZCTEOSA-N 416.481 4.547 0 40 HJAB O=c1cc(CSc2nn(-c3ccc(F)cc3)c(=S)s2)c2ccc(O)cc2o1 8824998 QQJVDUVQTUUKME-UHFFFAOYSA-N 418.496 4.907 0 40 HJAB Cc1cc(OCC(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)ccc1Cl 8903750 QTGMOSODAMAYQZ-UHFFFAOYSA-N 418.902 4.841 0 40 HJAB Cc1ccnc(SCc2nc3cc(NC(=O)c4ccccc4C)ccc3n2C)n1 8992837 RXSGBRUNHKXOLV-UHFFFAOYSA-N 403.511 4.525 0 40 HJAB Cc1nc2cc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)ccc2s1 9714736 KHNUFGCEEBTKII-UHFFFAOYSA-N 423.519 4.658 0 40 HJAB CCc1ccc([C@@H](NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C(C)C)cc1 9758899 YUJCDVGGKFMDRM-QHCPKHFHSA-N 407.558 4.550 0 40 HJAB O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)Nc1ccc(C(F)(F)F)cc1 10131985 CQUDLBHRBJDTHS-UHFFFAOYSA-N 423.394 4.721 0 40 HJAB CCCCc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10370087 KIMLMENGUSNPJQ-MRXNPFEDSA-N 422.978 4.784 0 40 HJAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC12CC3CC(CC(C3)C1)C2 10506545 YKKZZJUEZPDLIC-UHFFFAOYSA-N 402.542 4.517 0 40 HJAB COC(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3c(C)ccc(C)c3s2)cc1 11143109 RVLOCFHMWFFKJI-GOSISDBHSA-N 424.522 4.526 0 40 HJAB Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCCC2)cc1 12062337 ADPRKRMSQYZGNM-UHFFFAOYSA-N 423.582 4.918 0 40 HJAB COc1cccc(-c2nccc3ccn(CC(=O)Nc4cc(C)ccc4OC)c23)c1 12134690 ZJBPOVAMVORFJY-UHFFFAOYSA-N 401.466 4.668 0 40 HJAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCCc4ccccc43)o2)cc1 12863336 FPFKBVYBQFBAID-HNNXBMFYSA-N 409.511 4.595 0 40 HJAB COc1ccc(CCC(=O)Nc2ccccc2Br)cc1Br 12977355 PNMZNQBUENIZTC-UHFFFAOYSA-N 413.109 4.792 0 40 HJAB C[C@@H]1CCCN(Cc2csc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)C1 12993731 WJGXDBIQFJJFOR-CQSZACIVSA-N 407.967 4.825 0 40 HJAB CSCC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1nc2ccccc2[nH]1 15554416 VEMNHTRLBQYZHE-JOCHJYFZSA-N 422.598 4.773 0 40 HJAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3cccc(Br)c3)sc2c1 17092117 DGGPDHUZKFZRPU-UHFFFAOYSA-N 420.357 4.802 0 40 HJAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 19236820 CYNZVDQDPCZVBW-OFVILXPXSA-N 417.528 4.912 0 40 HJAB CC(C)Oc1ccc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1 19450594 LTUHUMMRPGRIHN-XMMPIXPASA-N 423.601 4.984 0 40 HJAB CN(CCCNC(=O)c1ncoc1-c1ccccc1C(F)(F)F)c1ccccc1 19586088 MJENLNMXNBMXAO-UHFFFAOYSA-N 403.404 4.617 0 40 HJAB CSc1ccccc1NC(=O)CN(C)C(=O)c1cc2cc(Cl)ccc2nc1C 31551551 WPUTUXZLBSPSOR-UHFFFAOYSA-N 413.930 4.629 0 40 HJAB Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc4c(c3)OCCCO4)o2)cc1C 31773802 GXWDVSFQHLWHPT-SFHVURJKSA-N 420.509 4.930 0 40 HJAB CC[C@@H](C)Nc1nnc(S[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)s1 32777509 CQEPZPFCKZIYIR-CABCVRRESA-N 419.620 4.858 0 40 HJAB O=C(Cc1csc(Cc2cccc(Cl)c2)n1)NCCc1cccc(Cl)c1 32833379 OMUOZWMIQHQJHA-UHFFFAOYSA-N 405.350 4.942 0 40 HJAB O=C1CCCN1c1ccc(/C=C/C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1 32880032 DTWNHWRSJDZKDK-MDWZMJQESA-N 412.892 4.810 0 40 HJAB COc1cc(Br)c(OC)c(C(=O)N(C)Cc2c(F)cccc2Cl)c1 32895519 ICMSBHGUPPZBCB-UHFFFAOYSA-N 416.674 4.531 0 40 HJAB CCCc1cc(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)sc1C 32931528 SMHBJKXHXOGNTG-UHFFFAOYSA-N 416.562 4.625 0 40 HJAB Cc1nn2c(nnc3c(=O)n([C@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40391933 UKBHWVYEBGVLHQ-GLJUWKHASA-N 405.477 4.551 0 40 HJAB Cc1nnc2c(S(=O)(=O)N(Cc3ccccc3)c3ccc(C(C)C)cc3)cccn12 49405156 OUFVUTZYYMBMJH-UHFFFAOYSA-N 420.538 4.557 0 40 HJAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(c2ccccc2F)CC1 57024338 DAEQHSDUMWCNRZ-LJQANCHMSA-N 403.501 4.642 0 40 HJAB COc1ccc([C@H](NC(=O)CCCc2c[nH]c3ccccc23)C(F)(F)F)cc1OC 58162435 PCCJOWWKDNIUIU-NRFANRHFSA-N 420.431 4.928 0 40 HJAB COc1ccc(-c2c(C)nn3c(C4CCN(C(=O)OC(C)(C)C)CC4)ccnc23)cc1 72334643 LQAPECKGBTYQTJ-UHFFFAOYSA-N 422.529 4.828 0 40 HJAB CSc1ccccc1NC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 77099928 BVNCMORERXVTCQ-UHFFFAOYSA-N 418.566 4.910 0 40 HJAB O=S(=O)(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc2c(c1)CCN2 78403714 UTGWEHLXXYGPKE-UHFFFAOYSA-N 400.887 4.901 0 40 HJAB Cc1[nH]c2ccc(C(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)cc2c1C 83996563 JKVJVURMJFCZHZ-FQEVSTJZSA-N 413.315 4.761 0 40 HJAB O=C(NCc1cccnc1)c1cc2ccc(-c3ccc(F)cc3)cn2c1-c1cocn1 96155492 OCLPOAIQSOWGFB-UHFFFAOYSA-N 412.424 4.725 0 40 HJAB COc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2c(Cl)cc(Cl)cc23)cc1OC 100890679 KZKFRZILAQMAET-IFXJQAMLSA-N 409.269 4.780 0 40 HJAB O=C(Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C=C(c1ccccc1)N2)c1ccccc1 100997907 NQVOHPUDGQWGHI-NRFANRHFSA-N 411.440 4.726 0 40 HJAB CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 101083381 HKJYIXSCILEBFO-QYZOEREBSA-N 419.308 4.862 0 40 HJAB C1=C(c2ccccc2)Nc2nnnn2[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 102175037 UNTCFDANCMKUCG-QHCPKHFHSA-N 417.476 4.582 0 40 HJAB C[C@H]1CC[C@@H]([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 118924131 IRRHFODGOMSPEE-IXCDTRSDSA-N 415.662 4.921 0 40 HJAB Cc1cccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222737926 UWEHLWBQKZUSKL-FQEVSTJZSA-N 424.585 4.829 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 223178152 LNLBLQHKITXAQB-FQEVSTJZSA-N 418.940 4.744 0 40 HJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1F 224443113 ZFWYKUZWGYWJEM-UHFFFAOYSA-N 408.926 4.879 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C(C)C 224599831 IOLMIEAIRWXGDM-VXKWHMMOSA-N 406.555 4.964 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C 224664520 IOKVSABMDKXKNP-QHCPKHFHSA-N 424.585 4.570 0 40 HJAB CCCC[C@H](CC)CNC(=O)CCCN(c1ccc(Cl)cc1C)S(C)(=O)=O 224767683 NJSNJJOJBDCGFV-KRWDZBQOSA-N 417.015 4.527 0 40 HJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1Cl 224953824 JOHHNXJGAUTRPG-WOJBJXKFSA-N 412.946 4.568 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 225213446 ZYKWTAUAQFIFTF-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)[nH]1 225336271 LOEZPMODDABGIC-FGZHOGPDSA-N 406.555 4.991 0 40 HJAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 225901040 ABWVONLBYQGXMU-SJLPKXTDSA-N 413.359 4.639 0 40 HJAB CCOc1cc(C(N)=O)cc(Br)c1OCc1cccc2ccccc12 226325330 LNNYPCJHVDEABS-UHFFFAOYSA-N 400.272 4.679 0 40 HJAB O[C@H]1CCOC[C@H]1[C@H](Nc1cccc(CCc2ccncc2)c1)c1ccc(F)c(F)c1 257207284 BHBZVAHQAWFSEZ-IEZKXTBUSA-N 424.491 4.696 0 40 HJAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1F)Oc1ccccc1 408998800 OMQHXKQSZPHLDT-QFIPXVFZSA-N 417.440 4.645 0 40 HJAB COc1ccc([C@@H](NC(=O)NCCc2c[nH]c3ccc(F)cc23)C(C)C)cc1OC 604418871 OLZRNKZWIOFYRI-QFIPXVFZSA-N 413.493 4.563 0 40 HJAB O=C(CSc1ncnc2c(-c3ccc(F)cc3)nsc12)Nc1ccc(F)cc1 896242 YPEJRCYMEPCLKX-UHFFFAOYSA-N 414.462 4.762 0 40 HJAB COc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3OC)C3CCCC3)cc2c1 1327293 ABWREGCSBCPKSB-UHFFFAOYSA-N 421.497 4.522 0 40 HJAB O=C(c1ccccc1Br)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 1364475 LWOBDRMIPXCQFF-LBPRGKRZSA-N 418.316 4.580 0 40 HJAB CCCSc1nc2nc3c(cc2c(=O)n1-c1ccc(C)cc1)CO[C@@](C)(CC)C3 1833638 TVAWZFSGDANXRV-QHCPKHFHSA-N 409.555 4.833 0 40 HJAB Nc1c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc2n1Cc1ccccc1 2291355 UJVOTFYGJUVSOA-UHFFFAOYSA-N 411.440 4.606 0 40 HJAB CC(C)c1ccccc1-n1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O 3482707 IGDNCHYMSAFCKH-UHFFFAOYSA-N 421.566 4.660 0 40 HJAB CCOc1ccc([C@@H]2c3cccn3CCN2C(=S)Nc2ccccc2OC)cc1 3582709 MAZLXLUGGSOCST-JOCHJYFZSA-N 407.539 4.697 0 40 HJAB Cc1c(-c2cccc(NC(=O)c3cccc(Br)c3)c2)nc2ncccn12 4033201 MURDXRXPXXNXAS-UHFFFAOYSA-N 407.271 4.720 0 40 HJAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(Br)cc1 5578854 OHCJIDDOHOQGDP-UHFFFAOYSA-N 406.330 4.845 0 40 HJAB O=C(CCCc1c[nH]c2ccccc12)OCC(=O)N1CCC(Cc2ccccc2)CC1 6376330 QKBYBCCRIWTPSX-UHFFFAOYSA-N 418.537 4.515 0 40 HJAB CCOC(=O)c1cnc2c(-c3ccc(OC)cc3)c(C)nn2c1-c1ccc(C)cc1 6656157 CSANIJIMFCAGGP-UHFFFAOYSA-N 401.466 4.865 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NC1CCCCC1 6938181 DKQQAWUWADVJAV-UHFFFAOYSA-N 407.923 4.595 0 40 HJAB O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)NCc1ccccc1 7063795 RLYIVOWJNPAUKY-UHFFFAOYSA-N 407.973 4.725 0 40 HJAB COc1ccc(-n2c(SCCCOc3ccccc3)nnc2-c2ccncc2)cc1 7372015 IOOIKVNHIGRUHG-UHFFFAOYSA-N 418.522 4.899 0 40 HJAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H](Sc1ccccc1)c1ccccc1 7842688 HLEHAWWINDQORD-HSZRJFAPSA-N 404.535 4.995 0 40 HJAB COc1ccc(C[C@H](NC(=O)Cc2c[nH]c3ccccc23)c2ccc(OC)cc2)cc1 8326431 DUHPROXAQCUGKE-VWLOTQADSA-N 414.505 4.828 0 40 HJAB CCc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 8606619 HSWXXPDCRALNGK-VWLOTQADSA-N 424.504 4.794 0 40 HJAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c(C)c1 8840923 XPESEFHQJCVPLP-UHFFFAOYSA-N 414.571 4.738 0 40 HJAB Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)NCc2ccccc2)n1 9250097 YOVPZNRAMKQQFY-UHFFFAOYSA-N 419.550 4.668 0 40 HJAB CC(=O)c1ccccc1OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 9578325 YVVIEBRZSKIZQG-KRWDZBQOSA-N 410.520 4.769 0 40 HJAB O=S(=O)(Cc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1Cl 9694936 XRXKHRPVGKETPP-UHFFFAOYSA-N 424.802 5.000 0 40 HJAB Cc1cc(NC(=O)c2cccn(Cc3c(F)cccc3Cl)c2=O)c2ccccc2n1 10187771 KUFPMJDKAQWAJL-UHFFFAOYSA-N 421.859 4.798 0 40 HJAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3Sc3ccccc3)ccc21 10516223 QTSAXAUMHMDUJM-UHFFFAOYSA-N 424.547 4.548 0 40 HJAB CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 12062728 KOBUCMAEDXYVMM-INIZCTEOSA-N 409.486 4.973 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 12137232 PNPKYJGGZPNPAX-RTBURBONSA-N 402.494 4.892 0 40 HJAB O=C1CCCCC[C@@H]1[C@@]1(O)C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 12377246 OEHWBUQTATWGLB-KSFYIVLOSA-N 418.320 4.877 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)Sc1nc(-c2ccccc2Br)n[nH]1 12568624 JVQMYTVWBQRPME-FRRDWIJNSA-N 423.380 4.504 0 40 HJAB CCCOc1c(Cl)cc(/C=C/C(=O)N(CCOC)Cc2cccs2)cc1OC 12887536 NYVULGPFJOSRMQ-BQYQJAHWSA-N 423.962 4.887 0 40 HJAB Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)n2)cc1C 12907032 NWOKKZVWYYKBFG-KRWDZBQOSA-N 409.511 4.511 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)c(C)c1 14004412 RQFACXHXYTYKKR-GOSISDBHSA-N 424.522 4.510 0 40 HJAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1 14205942 SFZAYSUEHSEORP-UHFFFAOYSA-N 407.401 4.607 0 40 HJAB Fc1ccc(-n2ncc3c(SCc4coc(-c5ccccc5)n4)ncnc32)cc1 14803956 MMSFPEGODRWFIZ-UHFFFAOYSA-N 403.442 4.902 0 40 HJAB CC[C@@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(C)cc1 15310154 MMLOCJHQBNKCNH-FGZHOGPDSA-N 408.542 4.561 0 40 HJAB Cc1csc(C(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c1 19124585 XLRWBMUDBKRNEK-LJQANCHMSA-N 421.570 4.650 0 40 HJAB O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3)CC[C@@H]21 19372283 CRFVCDHTTBXDEX-HJOGWXRNSA-N 402.563 4.878 0 40 HJAB COc1ccc(OCc2nnc(SCc3cccc(Br)c3)o2)cc1 19929348 YAZTUKGLKLBDSQ-UHFFFAOYSA-N 407.289 4.712 0 40 HJAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)COc1c(C)cc(Cl)cc1Cl 20144515 QEQRVOKCHNQKFU-UHFFFAOYSA-N 418.660 4.680 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(OCC(=O)O)c(-c3nc4ccccc4s3)c2)cc1 20157833 CNQFLBSROKPBCO-UHFFFAOYSA-N 418.474 4.987 0 40 HJAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(Nc2ncccn2)c1 24790882 RHIWJONZBUHMOY-UHFFFAOYSA-N 402.454 4.904 0 40 HJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-n4nc(C)c(Cl)c4C)cc3)o2)n1 28573030 VJRFXDNENCVUCD-UHFFFAOYSA-N 423.904 4.849 0 40 HJAB Cc1nc2ccc(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)cc2nc1C 32841480 ADPUYDVSZCAFEV-NRFANRHFSA-N 408.571 4.511 0 40 HJAB Cn1c([C@H]2COc3ccccc3O2)nn(CN[C@@H](c2ccccc2)C(C)(C)C)c1=S 32911741 LEMANTQCYJGWGZ-UXHICEINSA-N 424.570 4.798 0 40 HJAB CC(C)[C@@H](C)NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 32957622 JRATXGGHWOXHFI-LLVKDONJSA-N 402.010 4.737 0 40 HJAB COc1cc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCO3)cc(OC)c1O 35615872 NGCAWDSHRYIBAS-UHFFFAOYSA-N 419.437 4.505 0 40 HJAB CCN(Cc1cccc(NC(=O)c2ccc(Cl)cc2F)c1)C(=O)C(F)(F)F 36391591 HAJMLRYNJLAQBR-UHFFFAOYSA-N 402.775 4.642 0 40 HJAB O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2F)CC1 38756147 ZJQHLEYXOSFFNH-UHFFFAOYSA-N 413.345 4.715 0 40 HJAB CCc1nn2c(ncc3c(=O)n(CCc4cccs4)ccc32)c1-c1ccccc1 40387961 HBNNRKLZIDRWKO-UHFFFAOYSA-N 400.507 4.578 0 40 HJAB COc1ccc(OC)c(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 44886637 LWOIDQVSTMYSID-UHFFFAOYSA-N 402.494 4.909 0 40 HJAB CCOc1ccccc1CNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 44920057 OUESKHCNFNTIKP-UHFFFAOYSA-N 421.368 4.921 0 40 HJAB CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccccc1 45890916 CHDTXASNKVVXCF-UHFFFAOYSA-N 412.125 4.917 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3F)o2)cc1 48513650 UAHKUVHGWKOYBY-UHFFFAOYSA-N 422.279 4.677 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(COc2cccc(C)c2C)o1 59176090 DYRYKZLMDOZITM-UHFFFAOYSA-N 417.918 4.958 0 40 HJAB Cc1nc(Cc2nc3ccc(-c4cccc(C(F)(F)F)c4)cc3c(=O)[nH]2)cs1 63837566 KGCQCCMGOWOOQD-UHFFFAOYSA-N 401.413 4.965 0 40 HJAB CC(C)C(=O)c1cn(CC(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)c2ccccc12 64987076 HGCCARNLNKDTJE-QGZVFWFLSA-N 420.509 4.519 0 40 HJAB CC(=O)N(c1nc(/C=C/C(=O)N(C)c2cccc(C)c2)cs1)c1ccccc1F 65576383 XJCCVKCQOGYISO-VAWYXSNFSA-N 409.486 4.951 0 40 HJAB COc1ccc(OC)c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)c1 67296473 JGPKZGVYUKZNOT-LCUIJRPUSA-N 415.449 4.638 0 40 HJAB CCCN(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCNC(=O)OC(C)(C)C 72214722 IUVOQYGCTVSTQB-UHFFFAOYSA-N 421.538 4.721 0 40 HJAB CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(N(C)C)c(Cl)c1 72310082 MOFJZTDLYVVGFH-UHFFFAOYSA-N 402.907 4.739 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cccc(Cl)c2F)S1 96117080 BHCBNJYVQWGJGP-ZBEGNZNMSA-N 409.914 4.985 0 40 HJAB Cc1n[nH]c(O)c1[C@H](c1ccc(-c2cccc3ccccc23)o1)c1c(O)n[nH]c1C 96193521 KRGBYHOAEGMLDH-UHFFFAOYSA-N 400.438 4.754 0 40 HJAB OCCOc1ccc(NCc2ccc(Br)cc2F)c(C(F)(F)F)c1 97554805 DQVATMSRMSIVNP-UHFFFAOYSA-N 408.189 4.590 0 40 HJAB Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)c(C)c1 101025182 GRSVHQCKZAIOBQ-NHTMILBNSA-N 412.489 4.663 0 40 HJAB COC(=O)c1ccc([C@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc1 102739480 NACDCRJZUCNYNT-FZKQIMNGSA-N 422.466 4.547 0 40 HJAB COc1cc(OC)cc([C@H]2Nc3nonc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)c1 102833967 VLUJEIMXDCWPNN-SPLOXXLWSA-N 418.453 4.716 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 222746788 VZAHTWBBDJHTTQ-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB O=C(NCc1cccc2ccccc12)c1ccc(NS(=O)(=O)c2cccs2)cc1 222862712 QYVAIVDMNZMKGK-UHFFFAOYSA-N 422.531 4.632 0 40 HJAB CCc1ccc(O[C@H](CC)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 222884396 UJKAJKQISUZQMG-QGZVFWFLSA-N 401.528 4.772 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C(C)C 223456884 QAWFDJCIHSGAQX-YADHBBJMSA-N 405.571 4.649 0 40 HJAB Cc1cc(C)n(Cc2ccc(C(=O)NCCOc3ccccc3C(C)(C)C)cc2)n1 223739349 QDVCNVFKVMMSBK-UHFFFAOYSA-N 405.542 4.655 0 40 HJAB C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1 224027744 UAIMOOSORGFLEP-OAHLLOKOSA-N 414.914 4.632 0 40 HJAB CCCC[C@H](CC)CNC(=O)CCCN(c1ccccc1C(C)C)S(C)(=O)=O 224838976 SIRBQVOIKBXRPP-IBGZPJMESA-N 410.624 4.689 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)N[C@@H](C)CC)cc1 225084163 SHWBRFMARQCXED-SFTDATJTSA-N 408.586 4.822 0 40 HJAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCSc1ccc(Cl)cc1 225439166 ZVPQTVBKMQZHPB-HNNXBMFYSA-N 422.953 4.515 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)C)c1 225631675 DOTOXDRNVDTICO-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB Cc1cccc(Nc2cccc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)n2)n1 257213714 CIUGKCRTEGARAM-QHCPKHFHSA-N 411.509 4.650 0 40 HJAB O=C(O)COc1ccccc1CN1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257297166 RGEAXKCZPABUEQ-OAQYLSRUSA-N 424.472 4.595 0 40 HJAB CCOc1cc(/C=C2/N[C@@H](c3sc4ccccc4c3Cl)OC2=O)ccc1O 408729355 DQTXHECLOSGJJC-XWGMLZDCSA-N 401.871 4.845 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 409027131 ALQDBOWLQCENJM-QHCPKHFHSA-N 424.472 4.991 0 40 HJAB CN(Cc1cc(C[C@@H]2C[C@H](NC(=O)c3ccccc3)C2(C)C)no1)c1ccccc1 1772594433 VQGNVEYQJRTTCW-XXBNENTESA-N 403.526 4.698 0 40 HJAB COC(=O)c1sc2ncn(Cc3c(Cl)ccc(Cl)c3Cl)c(=O)c2c1C 957755 NJYVLWYLVLZTRH-UHFFFAOYSA-N 417.701 4.562 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)C(c2cccnc2)C(C(=O)Nc2ccccc2)=C(C)N1 1418785 VGGLKCSGRJYUHF-UHFFFAOYSA-N 424.504 4.594 0 40 HJAB CCOC(=O)c1ccc2c(c1)Cc1c-2cc(Br)c(N)c1Br 1704167 WCKHWXJOYOHSAG-UHFFFAOYSA-N 411.093 4.542 0 40 HJAB CCCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 1775078 HUSJXKIRCQKYTP-ZDUSSCGKSA-N 402.830 4.959 0 40 HJAB Cc1cccc(S(=O)(=O)c2c(N)n(C3CCCCC3)c3nc4ccccc4nc23)c1 2402128 QMYDLNMQZLCHBM-UHFFFAOYSA-N 420.538 4.813 0 40 HJAB CCCCCCn1c(N)c(S(=O)(=O)c2cccc(C)c2)c2nc3ccccc3nc21 2419728 LQRFHHZBCSBNDA-UHFFFAOYSA-N 422.554 4.888 0 40 HJAB O=c1[nH]c(CSc2nnc(-c3ccccc3)o2)nc2scc(-c3ccccc3)c12 3317198 CVQNDGSCLYTBAU-UHFFFAOYSA-N 418.503 4.994 0 40 HJAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)n1C 3317926 SDRKJWSPJDBAST-ZDUSSCGKSA-N 420.460 4.929 0 40 HJAB CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2Cl)nc2ccccc2c1=O 3410521 NMSHFKMABLZSMZ-CYBMUJFWSA-N 401.919 4.752 0 40 HJAB CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccc(C)cc3)N2C1=O 3636790 GLKVUAJFDILJOY-TZIWHRDSSA-N 420.534 4.777 0 40 HJAB C[C@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)N1CCc1c2[nH]c2ccccc12 4073160 HZZNQAZNIWVYAP-FQEVSTJZSA-N 400.265 4.715 0 40 HJAB biogenic O=C(CCCC(=O)OCc1ccc(F)cc1F)Nc1cccc(C(F)(F)F)c1 4503271 YMRWVRQWVFWVRV-UHFFFAOYSA-N 401.331 4.836 0 40 HJAB Cc1[nH]c2ccccc2c1[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 4544067 VUUGHFZXXFTFQA-DEOSSOPVSA-N 402.881 4.912 0 40 HJAB COC(=O)c1ccccc1N1C(=O)c2ccccc2N[P@@]1(=O)Oc1ccccc1 4879903 NOJHREUFNAPFSG-GDLZYMKVSA-N 408.350 4.733 0 40 HJAB COc1ccc(C(=O)Nc2c(-c3ccccc3F)c(=O)c3ccccc3n2C)cc1 5345593 MTNJQIPBLVQLLI-UHFFFAOYSA-N 402.425 4.606 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2Cc2ccco2)cc1 5499836 XZXFFBWKBHIXNT-UHFFFAOYSA-N 418.522 4.934 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccccc1Cl 5518070 NVAVLCPPCWKFBU-UHFFFAOYSA-N 404.898 4.797 0 40 HJAB CCCCOc1cccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)c1 6323506 FISIPUSCNXDHSI-UHFFFAOYSA-N 421.526 4.901 0 40 HJAB Cc1cc(OCC(=O)NC(=S)Nc2ccccc2N2CCCCC2)ccc1Cl 6613148 QARAFXTZJFLVRX-UHFFFAOYSA-N 417.962 4.531 0 40 HJAB CCc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc3ccccc23)cc1 7939926 LFEWDNUZETTZAO-UHFFFAOYSA-N 418.493 4.693 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 8118067 ONZWNUJUWHDYBV-SFHVURJKSA-N 407.823 4.541 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCOc1ccc(C(C)(C)C)cc1 8157787 WPOIXTKCRSFMGE-UHFFFAOYSA-N 405.542 4.655 0 40 HJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Cl)c(N2CCCC2=O)c1 8312691 PCJLFOFPSQISHQ-UHFFFAOYSA-N 412.873 4.761 0 40 HJAB O=C(Nc1c(C(=O)c2ccc3c(c2)OCCO3)oc2ccccc12)c1ccc(F)cc1 10233249 XADYOALSMOMHJP-UHFFFAOYSA-N 417.392 4.826 0 40 HJAB CN1/C(=C\C(=S)NC(=O)c2cccc(Br)c2)C(C)(C)c2ccccc21 12487124 MUMLSDFKZUFAHR-ATVHPVEESA-N 415.356 4.818 0 40 HJAB aggregator COc1ccc(-c2cc(CNC(=O)c3cc(Cl)ccc3Cl)no2)cc1OC 12638662 YGLPEFMCXPZAAR-UHFFFAOYSA-N 407.253 4.596 0 40 HJAB Cc1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCO3)cc1NC(=O)c1ccco1 12720829 GLPAODFEHCLTNZ-UHFFFAOYSA-N 413.813 4.579 0 40 HJAB Cc1cc(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2Cl)n(-c2ccccc2)n1 12857834 WDBZDOKNXGOZBR-AWEZNQCLSA-N 403.313 4.777 0 40 HJAB Cc1cccc(C)c1NC(=O)[C@H](C)Oc1cccc(-c2nnc3n2CCCCC3)c1 12931465 PPMOXQXYCKWPGR-SFHVURJKSA-N 404.514 4.694 0 40 HJAB COc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)cc(OC)c1Br 12982226 ZYAFWBSMEOFKEQ-UHFFFAOYSA-N 419.300 4.842 0 40 HJAB Cc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 13675090 PCGVLLZZBDIOIA-UHFFFAOYSA-N 422.550 4.651 0 40 HJAB CCCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O 15226147 WTLRWNSPCOHSRI-UHFFFAOYSA-N 422.337 4.844 0 40 HJAB CC(=O)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 16124918 UMDVKMLZXBVSAF-UHFFFAOYSA-N 411.323 4.728 0 40 HJAB Cn1nc(C2CCCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccccc1 20462767 WDVZCNJUTPBELB-NNWRFLSQSA-N 422.573 4.894 0 40 HJAB biogenic,in-vitro O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 20744677 KDHJHWKGERKZFF-IBGZPJMESA-N 422.287 4.562 0 40 HJAB COc1ccccc1NC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 22504891 BYCGKGCAFHMVAF-UHFFFAOYSA-N 401.466 4.932 0 40 HJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(I)cc1 22527340 HWRFXSVTXCANDE-QGZVFWFLSA-N 409.267 4.704 0 40 HJAB Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)o1 27935064 IQWGWRSVDOHPHK-KRWDZBQOSA-N 403.404 4.659 0 40 HJAB CCOC(=O)N1N=C(c2ccccc2)O[C@@]2(N3CCCC3)CC[C@@H](C(C)(C)C)C[C@@H]12 31771761 VGGJUABZLUJXJR-REHUZNOOSA-N 413.562 4.844 0 40 HJAB COc1ccc(CC(=O)Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)cc1 32623250 IASKCYQKNARAKY-UHFFFAOYSA-N 403.413 4.733 0 40 HJAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cn2c(C)cccc2n1 32935710 QDHMLQRUXIVCBU-UHFFFAOYSA-N 405.329 4.800 0 40 HJAB COc1cccc(-n2c(SCc3ccc(F)c(F)c3)nc3ccccc3c2=O)c1 35561289 MDNKEXFOQMLCGV-UHFFFAOYSA-N 410.445 4.965 0 40 HJAB CNc1ccc(Nc2nc(C)nc3scc(-c4ccc(OC)c(OC)c4)c23)cn1 40135247 JVYLXCGHMUXMAU-UHFFFAOYSA-N 407.499 4.864 0 40 HJAB COc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)o1 49619053 LMCQCDWLNGSDLM-LJQANCHMSA-N 417.465 4.721 0 40 HJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN[C@H](C)c2ccc(F)cc2F)c1 57338575 CMIFWZKOCHNCTA-MRXNPFEDSA-N 423.463 4.815 0 40 HJAB CCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2ccsc2c1=O 57425189 FBZGQMZRHQXHNV-UHFFFAOYSA-N 407.948 4.561 0 40 HJAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 58167064 UOMMZNBYIMIVAN-NZQKXSOJSA-N 406.570 4.752 0 40 HJAB O=C(/C=C/c1ccc(Br)cc1)NCc1ccc(N2CCCCCC2)nc1 58413903 LYISVBLITVBBAC-XYOKQWHBSA-N 414.347 4.554 0 40 HJAB Cc1cccc(-c2nnc(S)n2CC(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)c1 63816723 JGBIXHQMLMPGQB-HXUWFJFHSA-N 406.555 4.523 0 40 HJAB COC(=O)C[C@@H](NC(=O)Nc1ccc(Oc2cccc(F)c2)nc1)c1cccs1 69740264 DOAYUWWMLIGBGN-MRXNPFEDSA-N 415.446 4.500 0 40 HJAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cn(Cc2ccccc2)c2ccccc12 79188520 KLDFHNDENITBNO-XUZZJYLKSA-N 401.554 4.684 0 40 HJAB biogenic CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@@H]1CCSc2c(F)cccc21 84019692 CPWCTVBFCIWRJU-CQSZACIVSA-N 415.515 4.873 0 40 HJAB CCCc1noc(CCCC(=O)N2CCCN(Cc3ccccc3)c3ccccc32)n1 84759050 SYPDEHLIORGXGJ-UHFFFAOYSA-N 418.541 4.788 0 40 HJAB C[C@H](NC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1)c1ccccc1Cl 95463388 YEMHMDRTCWOVGT-JTQLQIEISA-N 402.850 4.564 0 40 HJAB C[C@@H](C(=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1)c1ccccc1 100738927 CCWQLVISIOYEQX-KNKQGSTJSA-N 400.526 4.732 0 40 HJAB COc1ccc([C@H]2CC3=Nc4nonc4N[C@H](c4ccccc4OC)C3=C(O)C2)cc1 102738154 NLIBSMCBAQQREL-LHSJRXKWSA-N 418.453 4.716 0 40 HJAB CC(C)(C)[C@H]1CCc2onc(C(=O)NC3(CN4CCCCC4)CCCCC3)c2C1 141545079 VILZYWKVUKDHEM-SFHVURJKSA-N 401.595 4.744 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 223314141 ROFJDVRYWFQFBM-QHCPKHFHSA-N 408.586 4.876 0 40 HJAB CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 224652270 RNDGBVWHDQLGFH-UHFFFAOYSA-N 407.841 4.891 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)[nH]1 225035574 JADSDPAUJFZACN-FCHUYYIVSA-N 405.571 4.501 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)N[C@@H](C)CC)cc1 225239137 MQDGUFLVXHXOGT-RBUKOAKNSA-N 412.549 4.653 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(N2CCCC2=O)c1 225680028 QFJLPENRCZQEJQ-IBGZPJMESA-N 409.555 4.711 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 225714275 RAGKAQKZEWQYDL-QHCPKHFHSA-N 424.585 4.695 0 40 HJAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2cccnc12 225874595 YXCJHYGOIMVFCY-UHFFFAOYSA-N 408.473 4.850 0 40 HJAB COc1ccc(CN2CCC(Cc3ccccc3-c3ccccc3)(C(N)=O)CC2)cc1 257284183 PBOKPJMYXYHWOY-UHFFFAOYSA-N 414.549 4.672 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257342279 ZNYBCMQOYHYIQK-HXUWFJFHSA-N 414.864 4.800 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccc(Br)cc2)o1 408623283 SHJXDPGAJNJVMV-UHFFFAOYSA-N 400.228 4.733 0 40 HJAB COc1cc(Br)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1OC 408813338 PHDDPEAZQVQNKY-DHDCSXOGSA-N 420.284 4.707 0 40 HJAB CCc1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 409024168 AQCSDICCHBEOMY-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB COc1ccc(Cl)cc1-c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)o1 409203982 AQMMIJKNWZHPCN-LDADJPATSA-N 408.841 4.702 0 40 HJAB CC(=O)c1cccc(OCCCC(=O)Nc2ccc(OCc3ccncc3)cc2)c1 521493895 SLZKGQPJKCFDKV-UHFFFAOYSA-N 404.466 4.661 0 40 HJAB Cc1ccccc1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643570926 YVMWQWMIXZCLDU-UHFFFAOYSA-N 421.537 4.566 0 40 HJAB Cn1ccnc1[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc(F)c1 685519195 YZASMSVKESTYNK-GUDVDZBRSA-N 417.406 4.587 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3ccc(Br)cc3)n2)cc1OC 633490 HXEBYJJNLXZQQH-UHFFFAOYSA-N 419.300 4.842 0 40 HJAB CCOC(=O)c1c(NC(=S)Nc2cccc(C)c2)sc2c1CC(C)(C)OC2 1240825 LCYSUZQUICZXSV-UHFFFAOYSA-N 404.557 4.893 0 40 HJAB COc1ccc(-n2cc(-c3ccccc3)c3c(N4C[C@@H](C)O[C@H](C)C4)ncnc32)cc1 1447634 MGBCTJNNPXMSMB-QZTJIDSGSA-N 414.509 4.710 0 40 HJAB C[C@@H](O)CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 1447712 PTNQJRSQSNRCRH-CQSZACIVSA-N 423.314 4.643 0 40 HJAB CCCCc1c(C)c2ccc(O[C@@H](CC(C)C)C(=O)OC)c(C(C)=O)c2oc1=O 2180718 AQZUBIYUSMWQOA-IBGZPJMESA-N 402.487 4.613 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC 2452020 CLWDTFMJYQNDFB-UHFFFAOYSA-N 410.543 4.575 0 40 HJAB COc1cc(C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1 2663922 PUICUVKVQDISIR-UHFFFAOYSA-N 400.478 4.728 0 40 HJAB O=C1[C@H]([C@@H](O)c2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1c1ccccc1 3849070 QWZJUFPQEBQGRT-KGLIPLIRSA-N 403.187 4.608 0 40 HJAB biogenic CC(=O)O[C@@H]1C=C2CC[C@H]3[C@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 4025107 JNZLFQBVNULBKB-YQHCMSGASA-N 416.558 4.772 0 40 HJAB biogenic CCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)C2CC2)cc1 4847999 UWPQNVKDPUJOQX-HSZRJFAPSA-N 410.583 4.644 0 40 HJAB CC(C)N(C(=O)CSc1nc2ccccc2n1CC(=O)c1ccccc1)C(C)C 4859298 UABHWJLCUVCUHC-UHFFFAOYSA-N 409.555 4.657 0 40 HJAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 4893103 BCPFHFTYCQVWBK-PPZCWDAYSA-N 409.294 4.578 0 40 HJAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)/C=C/c1cccc(C(F)(F)F)c1 4917189 RQUBVXHAKAIPFW-WSXJYFSRSA-N 400.444 4.862 0 40 HJAB COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cc(C)ccc2C)cc1 5223584 DAQRONWLPXUJJK-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB COc1ccc([C@H](CCNS(=O)(=O)c2ccc(C)cc2)c2ccc(F)cc2)cc1 5477726 LOMAGHOBMADVKY-HSZRJFAPSA-N 413.514 4.643 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c1 5478365 WJLJSOYZULQUJT-UHFFFAOYSA-N 418.522 4.934 0 40 HJAB Cn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1 5500239 WATFLMCHUGMXAA-UHFFFAOYSA-N 400.507 4.880 0 40 HJAB Cc1ccc(-n2c(SCC(=O)c3ccccc3)nc3ccccc3c2=O)c(C)c1 5793630 ZSJORHGVAXKKTP-UHFFFAOYSA-N 400.503 4.978 0 40 HJAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2)cc1 5880133 BNSKKDXICJFHPC-QHCPKHFHSA-N 418.493 4.735 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1C 5890322 SHKASHORCVLQEW-OAHLLOKOSA-N 400.935 4.507 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6146537 NMALVDGYLISWPL-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CCOc1ccccc1-n1nnnc1SCCOc1c(Cl)cccc1Cl 6510180 BQFNEQXEDIAXGH-UHFFFAOYSA-N 411.314 4.539 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1C 6589650 CQLANPPKCIUYPI-UHFFFAOYSA-N 409.869 4.980 0 40 HJAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1sc2ccccc2c1Cl 6613962 WANHPXQKLIXKSP-UHFFFAOYSA-N 404.900 4.688 0 40 HJAB CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)S2 6812235 STWFHSJWDZLLSP-SFTDATJTSA-N 421.570 4.554 0 40 HJAB CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)o2)S/C1=N/c1ccc(OC)cc1 6954443 GLNSKKXRIIEPMU-WYXKWXERSA-N 411.527 4.902 0 40 HJAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(N4CCCC4)c4ccccc34)C2=O)c1 6967238 HIUJQBHYYNBNKY-XQNSMLJCSA-N 411.505 4.841 0 40 HJAB CCn1cc2nc(SCc3cccc(C)c3)n(Cc3ccc(C)cc3)c(=O)c2n1 7006371 TXCSITCJLPKUNC-UHFFFAOYSA-N 404.539 4.570 0 40 HJAB C[C@H](NC(=O)CSc1nnc(Nc2ccccc2)s1)c1cc2ccccc2o1 7733769 FPICJTRXCHDFBT-ZDUSSCGKSA-N 410.524 4.997 0 40 HJAB CC(=O)c1c[nH]c(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 7961908 SUIJJMUBAFAAAY-SFHVURJKSA-N 405.885 4.914 0 40 HJAB O=C(Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NC1CCCCC1 8195547 RRBZPDFCIXAOST-UHFFFAOYSA-N 422.550 4.632 0 40 HJAB COc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O 8674197 PCYPCQVPZFXWBR-UHFFFAOYSA-N 417.465 4.672 0 40 HJAB COc1ccc(-c2nnc([C@@H](C)Sc3nccn3-c3ccc(OC)cc3)o2)cc1 8708509 RWXBZFJECTXVSY-CQSZACIVSA-N 408.483 4.793 0 40 HJAB FC(F)(F)c1cnc(N2CCC3(CC2)NCCc2c3[nH]c3ccccc23)c(Cl)c1 8781949 LOWSPMQDAOVLAQ-UHFFFAOYSA-N 420.866 4.877 0 40 HJAB CCCn1c(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)nc2ccccc21 9219881 HKUYRYPLCZAQJZ-UHFFFAOYSA-N 407.905 4.905 0 40 HJAB N=C(Nc1cccc(Cl)c1)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1 9287029 IAVXQHABXNDWEQ-UHFFFAOYSA-N 420.325 4.828 0 40 HJAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Cl)cc1Cl)C[S@@](=O)C2 9413715 WKLRXHPOGMLPNO-MHZLTWQESA-N 420.321 4.502 0 40 HJAB Cc1cc(=O)c(C(=O)Nc2ccccc2Cc2ccccc2)nn1-c1ccccc1F 9861751 OXQNWKDQBSGERE-UHFFFAOYSA-N 413.452 4.523 0 40 HJAB COc1cccc(-c2noc(CSc3nnc(-c4ccccc4F)n3C3CC3)n2)c1 9953138 YOJKHLQSPMLQNE-UHFFFAOYSA-N 423.473 4.770 0 40 HJAB Cc1cc(N[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)ccc1N1CCCC1=O 10186263 RJWKAHWKARNWQO-ZDUSSCGKSA-N 406.313 4.868 0 40 HJAB COc1ccc(Nc2nc(Nc3cccc(C)c3)nc(N3CCCC3)n2)cc1Cl 10213749 MREHGQWHYNNEDE-UHFFFAOYSA-N 410.909 4.929 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(C)cc(C)c3)c2C)cc1 10369475 XZSTYHWXRVDEQJ-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1noc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)[C@@H]3C[C@H]3C)cc2)c1C 12182248 YCJIZKMGNSBVAL-AUUYWEPGSA-N 404.514 4.811 0 40 HJAB COc1ccc(CC(=O)Nc2nc(CSCc3ccc(F)cc3)cs2)cc1 12230229 XUYRDLOATNSMHN-UHFFFAOYSA-N 402.516 4.905 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](c1ccsc1)N1CCCC1 12355691 XVSUYAGTJQEORP-SFHVURJKSA-N 415.946 4.932 0 40 HJAB CCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 12441059 IOHQOJXNUGCBEY-UHFFFAOYSA-N 419.525 4.653 0 40 HJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)OCc1nc2ccccc2n1C(F)F 12535753 QGHHPKSBSIDHIH-UHFFFAOYSA-N 424.329 4.543 0 40 HJAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCCCC2)cc1 12544231 YJMSBCXLZSTCFI-UHFFFAOYSA-N 423.601 4.728 0 40 HJAB CCOc1cc(C(=O)Nc2ccccc2C(C)=O)ccc1OCCOc1ccccc1 12567124 SODQSQTUCWSXBR-UHFFFAOYSA-N 419.477 4.998 0 40 HJAB COCCOc1ccc(C(F)(F)F)cc1NCC(=O)Nc1ccc(F)c(Cl)c1 12767496 OALWVZROIUIORL-UHFFFAOYSA-N 420.790 4.574 0 40 HJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 12821219 ZOZYRXMBWGLDLH-LLVKDONJSA-N 410.367 4.599 0 40 HJAB C[C@H](NC(=O)[C@H](C)N1CCC(c2nc3ccccc3s2)CC1)c1ccc(F)cc1 12821369 AQIDDXSIBILVJX-HOTGVXAUSA-N 411.546 4.881 0 40 HJAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@@H](C)c3ccccc3)cc2)n1 13228119 OIPHAJXHIZIIQI-SFHVURJKSA-N 408.505 4.934 0 40 HJAB CCOc1ccc(CN(C)C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1OC 14247022 XKZIHAFLWVVTJC-UHFFFAOYSA-N 424.522 4.680 0 40 HJAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)o1 15012222 KZQIMKSYYSWQBO-WQRHYEAKSA-N 422.824 4.704 0 40 HJAB CC(=O)N1N=C(c2ccc(Cl)cc2)Sc2c1nc(-c1ccccc1)n2C(C)=O 16777385 FDRCFYDZRBESMW-UHFFFAOYSA-N 410.886 4.684 0 40 HJAB Cc1cccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c1C 17090092 UCMNPUSPHUKLFV-HNNXBMFYSA-N 414.571 4.632 0 40 HJAB O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(I)c1 17092095 UFEGNUBPYLUVNL-UHFFFAOYSA-N 420.294 4.529 0 40 HJAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@@H](C)c3ccccc3)C1)N2 19127394 SNAIHGDBIWYVPQ-DSLXNQLJSA-N 420.479 4.521 0 40 HJAB O=C(c1ccccc1)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19368665 JFZSBJATOBSGAR-NRFANRHFSA-N 421.504 4.912 0 40 HJAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 19561122 KBOREUNHHVKXKN-UHFFFAOYSA-N 410.499 4.952 0 40 HJAB COc1c(C(=O)Nc2ccc(C(=O)O)cc2)cc2ccccc2c1Br 20139239 COQQUNSWIWFCRE-UHFFFAOYSA-N 400.228 4.561 0 40 HJAB Cc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3n2)cc1 20609986 KFSMUGJGPHISIM-UHFFFAOYSA-N 400.482 4.870 0 40 HJAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(OC)cc4)nc3c2)c1 20610067 RYKWNRYLENWFRJ-INIZCTEOSA-N 416.481 4.859 0 40 HJAB CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 23393276 LXIRBWWFWMURFM-UHFFFAOYSA-N 407.470 4.608 0 40 HJAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 24045534 XIVFMTURHHYSQW-HUUCEWRRSA-N 420.340 4.671 0 40 HJAB COc1ccc(CN2CCN(C(=O)c3ccc(-c4ccccc4Cl)o3)CC2)cc1 24118809 DFUMVXSRLYVPCL-UHFFFAOYSA-N 410.901 4.567 0 40 HJAB Cc1ccc(C)c(-n2c(-c3ccccc3Cl)nn(CN3CCOCC3)c2=S)c1 25357216 VVSOAGQXIBZPBN-UHFFFAOYSA-N 414.962 4.630 0 40 HJAB Cn1c(=O)n(C)c2cc(SC3CCCCC3)c(NC(=O)c3cccs3)cc21 28049177 QODQRLKRXXGCHB-UHFFFAOYSA-N 401.557 4.616 0 40 HJAB Cc1cc(C)c2oc(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)cc(=O)c2c1 28290755 LUXUUHWJENHIDX-LJQANCHMSA-N 424.566 4.818 0 40 HJAB CN(C)c1ccc([C@@H](CNC(=O)Cc2ccccc2F)c2c[nH]c3ccccc23)cc1 28881676 IJHGUELQHWQQBM-JOCHJYFZSA-N 415.512 4.864 0 40 HJAB Cc1cc(=O)c(C(=O)Nc2ccccc2SC(F)F)nn1-c1ccccc1Cl 29472079 SSUDULCVZCBPOH-UHFFFAOYSA-N 421.856 4.761 0 40 HJAB O=C(NCc1ccc(COCC(F)(F)F)cc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 29725827 OIFHRDWRZIUYNC-HUUCEWRRSA-N 412.374 4.686 0 40 HJAB COc1ccc(-c2nnn(CSC)c2C(=O)Nc2cc(Cl)ccc2Cl)cc1 32611871 ASSKICAPRQZZBH-UHFFFAOYSA-N 423.325 4.833 0 40 HJAB COc1ccc(CN(Cn2nc(-c3cccs3)c3ccccc3c2=O)C2CC2)cc1 32923141 HCADUENRCCIUKI-UHFFFAOYSA-N 417.534 4.756 0 40 HJAB CCc1ccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1 33272004 FKYAZWNPFKBTPX-UHFFFAOYSA-N 406.507 4.615 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)Cc2ccccc2Cl)cc1 40112096 ABHXCLLJAXYKMX-HNNXBMFYSA-N 414.962 4.707 0 40 HJAB COc1ccc2oc(C)c(C(=O)N(C)Cc3cc(Br)ccc3OC)c2c1 48264039 JDVPGTCELUSURD-UHFFFAOYSA-N 418.287 4.793 0 40 HJAB O=C(CCOc1ccc(Cl)cc1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 48309874 QZWBEPBEKXQWIG-NRFANRHFSA-N 409.917 4.548 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2ccccc2c1=O 51357433 RWJRSCQQUFVGPU-UHFFFAOYSA-N 409.555 4.907 0 40 HJAB CCc1cc(=O)n2nc(N[C@@H](CC(C)C)c3ccccc3OCC(C)C)sc2n1 72307347 XWEZWDVRIFFLGZ-SFHVURJKSA-N 414.575 4.948 0 40 HJAB CCOc1ccc([C@@H](N)c2n[nH]c(COc3ccc(C(C)(C)C)cc3)n2)cc1OCC 95534609 PMGHPWFBXWIQHQ-JOCHJYFZSA-N 424.545 4.527 0 40 HJAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 195530040 OIWJNXFQILPYHM-XGYYKPKNSA-N 410.543 4.639 0 40 HJAB O=C(Cc1cccc2ccccc12)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207014540 YRYSPKRGYMPSCY-KRWDZBQOSA-N 417.534 4.975 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC(C)C)c1ccccc1 223412474 CYBQLJXHZHJGOE-QFIPXVFZSA-N 400.950 4.982 0 40 HJAB Cc1ccc(OCCCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)cc1 224130995 XSXGBLUIFZKSDA-JOCHJYFZSA-N 424.585 4.652 0 40 HJAB COc1ccc(OCc2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2OC)cc1 224273036 HXJCXPDWTISRNT-MRXNPFEDSA-N 409.457 4.913 0 40 HJAB CCN(Cc1ccc(C(=O)Nc2ccc(C)cc2C)cc1)S(=O)(=O)c1ccccc1 224443378 RCTGRMORGXZZQN-UHFFFAOYSA-N 422.550 4.767 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NCC(C)C)cc1 224583514 QUPRFVOSQHOPOW-XMMPIXPASA-N 424.585 4.516 0 40 HJAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1CSc1ccc(Cl)cc1 224671187 LWWSZLSXVIORIE-SFHVURJKSA-N 405.947 4.940 0 40 HJAB CCCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1F 225380420 HKZIFCNOZCEWEA-UHFFFAOYSA-N 408.926 4.881 0 40 HJAB Cc1nccn1-c1ccccc1CNC(=S)Nc1ccc(Br)cc1F 225450440 AZDWLLIADIDNAZ-UHFFFAOYSA-N 419.323 4.569 0 40 HJAB Cc1c(Br)ccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1C 248104475 QFCWVRAAUSWKHF-YCKPSGDRSA-N 424.338 4.995 0 40 HJAB COC(=O)CC[C@@H](C)[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[C@]12C 253609722 BWDRDVHYVJQWBO-LEPGHKAJSA-N 406.607 4.566 0 40 HJAB CCCc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)n(C)n1 257344103 ZVTNPUZPPOVPQD-LJQANCHMSA-N 412.921 4.582 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3)n2)cc1 408694306 IRGWAPZBLLXXKN-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB COc1ccc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)cc1 1184622681 MNXYAIACLAFFQW-UHFFFAOYSA-N 412.088 4.532 0 40 HJAB COc1ccc(-c2ccc3c(N)c(C(=O)NCCc4ccc(F)cc4)sc3n2)cc1 661511 DJPIOMXMLHVOSP-UHFFFAOYSA-N 421.497 4.666 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)c1 1098524 IJFDFBZNAVLKMN-VGOFMYFVSA-N 424.497 4.895 0 40 HJAB O=C(c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 1359900 GAHGCWLFHLKMOE-UHFFFAOYSA-N 421.859 4.558 0 40 HJAB COc1ccc(-c2csc3ncn(CCCc4ccccc4)c(=O)c23)cc1OC 1945215 HQQQMRAERZOQON-UHFFFAOYSA-N 406.507 4.775 0 40 HJAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(Cl)ccc1C 2360894 NVVQPJRHYMDTOD-UHFFFAOYSA-N 406.964 4.643 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)c1C 2432841 QQCJXOYPQLNTRB-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc(F)c(F)cc1Cl 3235986 OUQSYHXDUQMFKS-UHFFFAOYSA-N 419.884 4.885 0 40 HJAB CCN(c1ccc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)cc1)C(C)C 3246358 KCZSBVLEAQBEFT-UHFFFAOYSA-N 424.328 4.606 0 40 HJAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1C(C)C)C2=O 3354711 NHUJCDBHXPELCL-UHFFFAOYSA-N 413.562 4.666 0 40 HJAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 3486505 VDLVJNMNJVMDLF-UHFFFAOYSA-N 409.711 4.837 0 40 HJAB CC(C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1 4087471 FJUUULOEJMXACG-UHFFFAOYSA-N 424.614 4.660 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 4580695 DAHOQQJVMTXVBJ-UHFFFAOYSA-N 405.237 4.752 0 40 HJAB COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 5150050 SRPWDSBAUIBHNF-QFIPXVFZSA-N 412.445 4.563 0 40 HJAB CC[C@H](C)c1ccccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 5318900 IGCMFYQDWZBBHY-CABCVRRESA-N 409.555 4.735 0 40 HJAB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1 5842234 DYJZHOIKXBPLIQ-UHFFFAOYSA-N 410.326 4.715 0 40 HJAB CCOC(=O)c1ccc(COC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1 6386846 NEMUCZSRRCUTKB-UHFFFAOYSA-N 417.461 4.781 0 40 HJAB O=c1c2sc3ccccc3c2n(Cc2cccc(F)c2)c(=O)n1Cc1ccccc1 6739264 HKDRWYYSRHGLIH-UHFFFAOYSA-N 416.477 4.614 0 40 HJAB CCc1oc2ccccc2c1/C=C/C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 7117679 IYCWJOHCSGSCCG-TUQDCPSNSA-N 400.482 4.809 0 40 HJAB COCCn1c(C)cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)c1C 8334248 VMIHBHIVBBLUFM-WOJGMQOQSA-N 403.935 4.605 0 40 HJAB Cc1cc(C(=O)Nc2ccccc2C(=O)O)ccc1NC(=O)CSc1ccccc1 9095025 CCLSNDFCYJVLJZ-UHFFFAOYSA-N 420.490 4.676 0 40 HJAB O=C(CSc1nnc(NC(=O)c2cccc3ccccc23)s1)Nc1ccccc1 9364103 RNIWRTBKFNMOHN-UHFFFAOYSA-N 420.519 4.674 0 40 HJAB O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1C[C@@H]1CCCO1 10145613 MDPHKFUDWBZUOK-INIZCTEOSA-N 420.456 4.887 0 40 HJAB O=C(c1cc(=O)c2ccccc2o1)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 10254620 HGOSNEYSFYGXJW-UHFFFAOYSA-N 410.857 4.699 0 40 HJAB CCc1c(C)noc1-c1cnc(NCc2cccc(F)c2)nc1-c1cnc(C)cn1 12156357 ZFKWKZZLLZSEIE-UHFFFAOYSA-N 404.449 4.519 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 12342266 FSJMBAZGHLBOKM-UHFFFAOYSA-N 423.394 4.965 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1 12604006 MAKRSJAUPBMSFT-FQEVSTJZSA-N 422.941 4.645 0 40 HJAB O=S(=O)(Cc1c(Cl)cccc1Cl)NCCSCc1ccc(Cl)cc1 13679418 XMKLMYKKDZLNLX-UHFFFAOYSA-N 424.802 5.000 0 40 HJAB O=C([C@@H](Sc1nnc(NCc2ccccc2)s1)c1ccccc1)N1CCCCC1 14085168 SZNHPUPMKZJIIQ-IBGZPJMESA-N 424.595 4.996 0 40 HJAB C[C@@H]1CC2(CCCC2)N2C(=O)[C@@]3(NCCc4c3[nH]c3ccccc43)c3cc(F)cc1c32 14162429 NIYJZVRPYNEMJD-PVPMGCCUSA-N 415.512 4.863 0 40 HJAB biogenic COc1cc(C2SCCS2)ccc1OC(=O)c1ccc(C(F)(F)F)nc1 14249273 KXDBVEFKFNDVGB-UHFFFAOYSA-N 401.431 4.807 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 15883219 MGZDEGRGLHROEC-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(CCCN(C)C)C3=O 16752075 APENXOQCZGNHAK-HSZRJFAPSA-N 418.537 4.722 0 40 HJAB O=C(NCC1(c2ccccc2)CCOCC1)c1cc(Br)ccc1Cl 16968823 ONZNMZUEZJSNNJ-UHFFFAOYSA-N 408.723 4.581 0 40 HJAB COc1c(Cl)cc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1Cl 17092612 DZLDSZWIKHBJRP-UHFFFAOYSA-N 421.305 4.988 0 40 HJAB COc1cc(NC(=O)c2csc(COc3ccc(C)cc3)n2)c(OC)cc1Cl 18185780 LWNKBWJOKSBAQU-UHFFFAOYSA-N 418.902 4.953 0 40 HJAB Cc1cc2nc(C)c(CCC(=O)OCc3csc(-c4ccsc4)n3)c(C)n2n1 19357652 IJUGVFCZVZOQKI-UHFFFAOYSA-N 412.540 4.516 0 40 HJAB CN(Cc1ccccc1)C[C@H](O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 19586523 IFWGEOSMPBRJOL-VWLOTQADSA-N 418.512 4.584 0 40 HJAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(Cl)c1 20034632 PDWAFAJFKBHTOX-UHFFFAOYSA-N 416.886 4.756 0 40 HJAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(C(=O)O)c1 20144780 HBVLUIHGEHJLQV-UHFFFAOYSA-N 412.667 4.597 0 40 HJAB O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1ccc(F)cc1 21157534 IMBKKGFOTXDKMS-UHFFFAOYSA-N 414.487 4.682 0 40 HJAB Cc1cccc(NC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)c1 22503562 SJUNXILPAOLPKC-UHFFFAOYSA-N 421.522 4.781 0 40 HJAB CC(=O)Nc1ccc2nc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2c1 25039327 KNUHZDSSONZQOS-UHFFFAOYSA-N 403.891 4.704 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC(c3ccccc3)CC2)c1 25520250 NBVWGFBVHJRJKM-UHFFFAOYSA-N 406.555 4.712 0 40 HJAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1cccc2ccccc12)C[C@H]1CCCO1 27990645 HJHDKQPYRBZARR-HXUWFJFHSA-N 413.473 4.768 0 40 HJAB CCOc1ccccc1C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@H]1c1ccccc1 28047942 UAMJMUWRDQNLQZ-HSZRJFAPSA-N 420.896 4.923 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3ccccc3nc2C)c(Br)c1 29281328 HJXKITMTGYWRGP-UHFFFAOYSA-N 402.317 4.740 0 40 HJAB COC(=O)c1cc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)ccc1Cl 30938937 PTFUYECESIJHAI-OAHLLOKOSA-N 400.906 4.611 0 40 HJAB CC(C)(C)[C@H]1CCc2sc(C(=O)N(Cc3ccc(C(N)=O)cc3)C3CC3)cc2C1 31169141 HZQXMJQMDNCJSM-SFHVURJKSA-N 410.583 4.803 0 40 HJAB Cc1ccc([C@@](O)(CCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)C(F)(F)F)o1 31570841 YHUOYXWXVFWCDG-PXAZEXFGSA-N 421.868 4.678 0 40 HJAB COc1ccc(-c2noc(CSc3ccc(-c4ccc(F)cc4)nn3)n2)cc1OC 33262509 LNBZJYYKRZVQOS-UHFFFAOYSA-N 424.457 4.642 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(F)cc3)n2)cc1 46012215 DPSQTTMSJVDNTK-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB CCOc1ccc(Nc2cc(C(=O)N3CCSCC3)nc3ccc(C)cc23)cc1 48987313 WDMVANYZXQJSEH-UHFFFAOYSA-N 407.539 4.875 0 40 HJAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 57335648 UFGSWDPRQWEQOW-UHFFFAOYSA-N 403.320 4.845 0 40 HJAB O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1 58335584 BDQCDOFADSYMLU-UHFFFAOYSA-N 402.828 4.835 0 40 HJAB CCOc1ccc(-c2cc3c(=O)n(Cc4cc(C)ccc4C)ccn3n2)cc1Cl 64774980 HYUVUNILIQWFRA-UHFFFAOYSA-N 407.901 4.880 0 40 HJAB CCOc1ccc(-n2nc(-c3nc(-c4ccccc4)no3)c3ccccc3c2=O)cc1 64949791 RPBSAICDRJVUHX-UHFFFAOYSA-N 410.433 4.501 0 40 HJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C)cc3F)oc12 67295936 HJIOTVVAJACEMJ-GFMRDNFCSA-N 409.442 4.830 0 40 HJAB CCc1ccc(NC(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)cc1 71328225 NXFDSQHHUOUCHW-UHFFFAOYSA-N 402.498 4.686 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cnc(N3CCCCC3)cc2C)cc1 72219258 MLMXFDYHVDIWPF-JOCHJYFZSA-N 413.587 4.605 0 40 HJAB C[C@@H](NC(=O)N1CCOC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1)c1ccccc1 72322184 HSMLHXYOFNLGDG-QRWLVFNGSA-N 410.905 4.574 0 40 HJAB biogenic,in-vitro CCCCn1cc(S(=O)(=O)c2cc(C)cc(C)c2)c(=O)c2cc(F)c(F)cc21 98212024 NGGIJMYTRCGSJP-UHFFFAOYSA-N 405.466 4.529 0 40 HJAB C[C@H](NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)[C@@H]1C[C@H]2CC[C@H]1C2 102636463 DVINDJUGXNNONL-XUXIUFHCSA-N 418.419 4.563 0 40 HJAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc(Cl)c1 138548657 IYJMPENYXHKSBT-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc4ccccc34)n2)cc1 219050090 GRCQLAQWSNKJOR-KRWDZBQOSA-N 401.466 4.624 0 40 HJAB Cc1cccc(-c2noc(CNC(=O)CSCc3ccc(Cl)c(Cl)c3)n2)c1 222733097 SEBPIZNESQXSEY-UHFFFAOYSA-N 422.337 4.901 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 223062520 SXHXMCCACGLDMM-RTBURBONSA-N 414.977 4.831 0 40 HJAB Cc1cccc(CN(C(=O)CCSc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 223794186 YFBAQRSTFBVPHF-FQEVSTJZSA-N 424.610 4.953 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1 224614206 DZAAHGGIQJMNAS-QGZVFWFLSA-N 418.990 4.515 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)CCc2ncc(-c3cccc(OC)c3)o2)cc1 224850666 JGDMNZVWHLTXQV-UHFFFAOYSA-N 422.481 4.878 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 225586905 ROUKFTCIVAPMNV-UWJYYQICSA-N 400.950 4.605 0 40 HJAB Cc1cc(CN(C)C(=O)c2ccc3nc(Cl)sc3c2)c(C)n1C[C@H]1CCCO1 225985517 IYLWULXYPFPCGX-QGZVFWFLSA-N 417.962 4.819 0 40 HJAB O=C(c1ccc(-c2ccc(F)cc2Br)o1)n1cc(CO)c2ccccc21 226769528 AFWQZLXIJRDNOL-UHFFFAOYSA-N 414.230 4.984 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCC(c3ccc(Cc4ccccc4)cn3)CC2)cc1F 257199942 ABIZHIWSVKBDBY-UHFFFAOYSA-N 424.541 4.688 0 40 HJAB CCCOc1cc2c(cc1[C@@H]1[C@H](c3ccccn3)N=C3SC[C@H](CC)N31)OCO2 260786498 XPSDZZPDCXJWHL-SZFUDVHCSA-N 411.527 4.579 0 40 HJAB O=C(CCSc1ccc(Cl)cc1)N1CCN(C/C=C/c2ccccc2)CC1 408563756 PDVDLFDHQHNNGQ-QPJJXVBHSA-N 400.975 4.680 0 40 HJAB Cc1cc(C(=O)N2CC[C@]3(C2)c2cccn2-c2ncccc2N3CCC(C)C)oc1C 585107179 QPLXNASDFOUQCH-VWLOTQADSA-N 418.541 4.690 0 40 HJAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cccc1C 687640 WZPLMOQWOXNELE-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c(O)c(Br)ccc12 728254 GWZQGMWQQZBPNF-UHFFFAOYSA-N 420.284 4.798 0 40 HJAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C1=O 981751 UQSBLKZXCVCSQL-LKBVRNOZSA-N 405.859 4.506 0 40 HJAB CC1=NN(C(=O)CSCc2ccccc2Cl)[C@@](O)(c2ccc(Cl)cc2)C1 1101664 KODHTWDQGFOBRI-IBGZPJMESA-N 409.338 4.680 0 40 HJAB O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)Nc1nccs1 1332789 SZMBTXVVXKNKJC-UHFFFAOYSA-N 402.570 4.635 0 40 HJAB CC(C)n1cc(C(=O)N(C2CCCC2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cn1 1346288 LLXZNWIQKXEJHC-QHCPKHFHSA-N 422.573 4.649 0 40 HJAB Cc1ccc(-c2c(=O)n(OCc3ccc(C(C)(C)C)cc3)c3ccccc3[n+]2[O-])cc1 2319856 LYBDRPJELMHWQV-UHFFFAOYSA-N 414.505 4.537 0 40 HJAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(OC)cc1 2451158 CWLIUKBZOAONOG-UHFFFAOYSA-N 416.934 4.666 0 40 HJAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1 2625891 JTRSRULJKISYBV-MRXNPFEDSA-N 412.584 4.548 0 40 HJAB COc1ccc(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 3207309 OUGXWYSNLOGZED-UHFFFAOYSA-N 423.309 4.830 0 40 HJAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)cc1 3635583 ZVUGFODEAXZKBX-UHFFFAOYSA-N 417.490 4.596 0 40 HJAB Cc1ccc2cc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)c(=O)[nH]c2c1 4032846 CRDXUNKEHJCTFA-UHFFFAOYSA-N 408.929 4.661 0 40 HJAB COc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)N(C(=O)C(C)C)c2ncnn21 4816964 PWHWRKZQKGDSNU-RBUKOAKNSA-N 410.905 4.664 0 40 HJAB Cc1cccc(-c2noc(CN(C(=O)c3cccc(Br)c3)C(C)C)n2)c1 4958702 HZQCVMPMCACLBT-UHFFFAOYSA-N 414.303 4.858 0 40 HJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N1c2ccccc2C[C@@H]1C 5359318 RNJRHZHCYYOFHI-KBPBESRZSA-N 410.568 4.800 0 40 HJAB O=C1COc2ccc(C(=O)CSc3ccc(Cl)c(C(F)(F)F)c3)cc2N1 5584053 GNQWGEACASWICK-UHFFFAOYSA-N 401.793 4.665 0 40 HJAB CCCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@@H](C)CC)cc1 5825026 ZOIXLMKIOZWTJH-LIRRHRJNSA-N 403.548 4.903 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c(C)c1 6044221 JMVOSTQLYOAQKM-UHFFFAOYSA-N 417.534 4.611 0 40 HJAB Cc1ccc(-c2csc3ncn(Cc4cc(=O)oc5cc(C)ccc45)c(=O)c23)cc1 6087489 ZVWQHPMHFQGKPW-UHFFFAOYSA-N 414.486 4.897 0 40 HJAB Cc1ccccc1-c1noc(CSc2nnc(C3CC3)n2Cc2ccccc2)n1 6531933 ABJJEWVTFICESF-UHFFFAOYSA-N 403.511 4.855 0 40 HJAB COc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1OC 6847431 XFXOCFNPOXNWPI-LJQANCHMSA-N 417.531 4.513 0 40 HJAB COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2F)s1 6900487 VYZDEHIUWYJZRT-LLVKDONJSA-N 404.492 4.549 0 40 HJAB CCOc1ccc(Oc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)cc1 6982068 SWNHFQOAKURXNK-UHFFFAOYSA-N 411.479 4.533 0 40 HJAB CCCNc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)oc2ccccc12 7363340 JHAVFVHXVYUDSJ-UHFFFAOYSA-N 414.527 4.713 0 40 HJAB O=C(O)c1cc(Br)cc(Br)c1OCc1ccccc1F 7604009 NPZZXLXMHMXNAR-UHFFFAOYSA-N 404.029 4.628 0 40 HJAB CC[C@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 7928766 NQEHHBTZEAGACA-GJZGRUSLSA-N 401.890 4.821 0 40 HJAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O 8475459 KCVPRHJPNHANBK-HNNXBMFYSA-N 400.434 4.586 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 8755162 JZXKLGBKMONTJX-NRFANRHFSA-N 417.534 4.826 0 40 HJAB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)[nH]2)cc1 8770227 GILLEVQPHAYOPM-UHFFFAOYSA-N 423.416 4.715 0 40 HJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)COc1ccc(C(=O)c2ccccc2)cc1 8853365 OSVROVCYUWFVCE-DEOSSOPVSA-N 416.521 4.779 0 40 HJAB O=C(CSc1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1nc2ccccc2s1 9592069 QILGCIWUKJPJMV-MRXNPFEDSA-N 412.536 4.523 0 40 HJAB COc1ccccc1[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc(C)c2)c2ncnn21 10060405 LHPTXKOBYJDALC-GOTSBHOMSA-N 424.504 4.976 0 40 HJAB Cc1ccc(NC(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2C)cc1 11689940 DSXKUUXLWFNSDR-UHFFFAOYSA-N 409.449 4.945 0 40 HJAB CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC(C)CC3)c2c1 12437827 MUDNVRABPLIXOU-UHFFFAOYSA-N 410.539 4.703 0 40 HJAB CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 12660608 ISWWOVSADRRNCB-FLZCKMBDSA-N 416.558 4.931 0 40 HJAB biogenic O=C(Cc1csc(-c2ccccc2)n1)Nc1ccnn1Cc1cccc(Cl)c1 12848517 ACSRRXJXVUELBN-UHFFFAOYSA-N 408.914 4.890 0 40 HJAB Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12977765 GUODLJYFDUXUSG-LZGZYFLISA-N 400.950 4.794 0 40 HJAB CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)cc1 13098193 YHPXIQCSWMXECP-UHFFFAOYSA-N 400.544 4.502 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@@H]3CC(=O)[C@]12C 13409214 VKYNIUNDLMIOEQ-MQDOHHOASA-N 402.575 4.983 0 40 HJAB COc1ccc(CN(CC[C@@]2(c3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)C(C)=O)cc1 13756237 UCRIIXJATPHSML-LZCXECNNSA-N 408.586 4.732 0 40 HJAB O=C(Nc1nncs1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 13952681 ILBNVZHRFNVYOU-UHFFFAOYSA-N 411.284 4.768 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)c1nc(-c2cccnc2)nc2ccccc12 15143560 ZFTRJQXEGKLLLN-UHFFFAOYSA-N 406.493 4.573 0 40 HJAB CCCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 15226145 OVCKPCYONOKPQW-UHFFFAOYSA-N 421.444 4.556 0 40 HJAB Cc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(F)cc1C 15911114 JYXOBKIAEZINRP-UHFFFAOYSA-N 422.485 4.930 0 40 HJAB NC(=O)c1c(NC(=O)c2cccc3c(Br)cccc23)sc2c1CCC2 16431543 KNGNTRXSXNVSCZ-UHFFFAOYSA-N 415.312 4.504 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 17091161 HTHHZMWGZNUSBI-UHFFFAOYSA-N 417.534 4.557 0 40 HJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 20144759 RRKZOTHOSSBEGS-UHFFFAOYSA-N 415.873 4.897 0 40 HJAB O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1CCC[C@@H](c2nc3ccccc3s2)C1 20716782 BUFRXMXROUJKMO-ZUOKHONESA-N 409.486 4.922 0 40 HJAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCC(c4noc5cc(F)ccc45)CC3)c2c1 20729881 APHRVQCJLDDDGL-JOCHJYFZSA-N 407.445 4.762 0 40 HJAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 21934206 XIMWIRMKTIHZAE-UUOWRZLLSA-N 418.537 4.652 0 40 HJAB O=C(NCc1ccc(F)cc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 22504954 DNHVKPUBNXWJBW-UHFFFAOYSA-N 403.457 4.740 0 40 HJAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4ccccc4F)cc3)n2)cc1 32578781 OUGOQLUVTJGRQJ-UHFFFAOYSA-N 417.440 4.546 0 40 HJAB Brc1ccc(-c2noc(CSc3nccn3-c3ccccc3)n2)cc1 33278083 JQVBQJFFSYQXMS-UHFFFAOYSA-N 413.300 4.977 0 40 HJAB COc1cc(OC)c([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)cc1OC 36359133 NLNBQOCQPWZIFV-HNNXBMFYSA-N 413.861 4.675 0 40 HJAB COc1cccc(CCC(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)c1 36390600 GIUNGZYFDZIHHU-UHFFFAOYSA-N 422.456 4.667 0 40 HJAB C[C@@H]1Cc2cc(-c3cc(CNC(=O)c4ccccc4C(F)(F)F)no3)ccc2O1 38751346 QSDBMPWALTZSNY-GFCCVEGCSA-N 402.372 4.614 0 40 HJAB Cc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1NC(=O)c1ccccc1 40086876 XVFPAGWDWGWNHO-UHFFFAOYSA-N 402.494 4.965 0 40 HJAB CSc1ccc([C@H](C)NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1 40133774 CZSWCSJWLXQNSV-HNNXBMFYSA-N 410.564 4.891 0 40 HJAB O=c1cc(-c2cccnc2)nc2n(Cc3cccc(C(F)(F)F)c3)c3ccccc3n12 40484669 UFLUPRTUGMLJBM-UHFFFAOYSA-N 420.394 4.778 0 40 HJAB CCc1cc(=O)n(CC(=O)Nc2cc(F)ccc2Cl)c(-c2cccc(Cl)c2)n1 57527824 UWJLEYPAJZCOTQ-UHFFFAOYSA-N 420.271 4.557 0 40 HJAB COc1ccccc1Nc1nc2sc(C(=O)O[C@H]3CCCCC3=O)cc2s1 58871619 KEYZZMYNERVPLA-AWEZNQCLSA-N 402.497 4.779 0 40 HJAB Cc1ccc(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)cc1C 64787989 IXGLUFQAMWUPEH-UHFFFAOYSA-N 409.898 4.946 0 40 HJAB O=C(NC1CCCCCCC1)c1cnc2scc(-c3ccccc3Cl)n2c1=O 64788033 RQPMNPRDCASSRJ-UHFFFAOYSA-N 415.946 4.919 0 40 HJAB Cc1cccc(OCc2nc3ccccc3n2C[C@@H](O)COc2ccc(C)c(C)c2)c1 82086480 JLAOYQVUKJJFCU-OAQYLSRUSA-N 416.521 4.980 0 40 HJAB CC(C)N(Cc1ccc(NC(=O)C(F)(F)c2ccccn2)cc1)C[C@@H]1CCCCO1 95461566 JTYLRBLNTMHVLP-FQEVSTJZSA-N 417.500 4.592 0 40 HJAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3c(C)noc3C)CC2)c2ccccc21 96053039 WCAZHLRUKNFRKH-HXUWFJFHSA-N 409.574 4.571 0 40 HJAB O=C(C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21)NC1CCC1 96053377 YEEIVZRHFZXWKY-GOSISDBHSA-N 410.583 4.708 0 40 HJAB CC(C)c1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@H]2CCOC(C)(C)C2)cc1 96117052 NLNFFYWVWMJXFG-LPHOPBHVSA-N 415.559 4.617 0 40 HJAB CCn1cc(-c2cc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c3ccccc3n2)c(C)n1 102630335 APRSLILKLAXMSM-TXJVSEOTSA-N 402.542 4.981 0 40 HJAB Cc1cc(C)cc(N(CCCC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 113967545 YCAJPQLHLAIBJJ-UHFFFAOYSA-N 402.560 4.612 0 40 HJAB Fc1ccc(-c2cnc(Nc3cccc(C[C@H]4COC5(CCNCC5)C4)n3)s2)cc1 205617318 IQTVESPECPPXJJ-MRXNPFEDSA-N 424.545 4.789 0 40 HJAB CCCCc1ccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 222556452 AZDLAURCLXZVCE-UHFFFAOYSA-N 402.560 4.523 0 40 HJAB CCCCc1ccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 222633315 MNSSDGZQGHUWDA-UHFFFAOYSA-N 416.587 4.831 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccccc3OC)N21 222683811 IJIZHLNZZIEXKY-NPFVIJTESA-N 404.539 4.860 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3F)cc2C)cc1 224207532 XFNBUMMHWXCZBA-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 224615161 FQYXFXZSCDFNRD-KRWDZBQOSA-N 418.990 4.764 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)Cc3ccccc3)cc2)cc1 224914638 ZYJQJZKSUINZTJ-UHFFFAOYSA-N 422.550 4.547 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c(C)c1 225055549 PEEZRYBLYDUERR-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1ccc(Cl)cc1 225818815 GAGSKXUQJIRYOV-UHFFFAOYSA-N 406.667 4.724 0 40 HJAB COc1ccc(OCC(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)cc1 257236628 HDAHQNAAGQQSFD-QFIPXVFZSA-N 424.472 4.546 0 40 HJAB CCOc1ccccc1-c1nnc(SCC(=O)N(CC)c2ccccc2)n1CC 408547472 XGVPESLWKCWSJK-UHFFFAOYSA-N 410.543 4.509 0 40 HJAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C1=O 409020592 QWIIVFCJYMRVTB-VAKHEIKFSA-N 419.886 4.896 0 40 HJAB CCOc1ccc2ccc(OCC)c(/C=C3\NC(=O)N(C4CCCCC4)C3=O)c2c1 409080151 MCCZHTGWEJDWDD-QNGOZBTKSA-N 408.498 4.863 0 40 HJAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc(Br)cc1)N2 409188581 DXIBSANXWJGPJZ-AYOQOUSVSA-N 402.288 4.870 0 40 HJAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21)c1ccccc1 409368127 SEURBNLSNQWMOS-UKAVVXHISA-N 420.306 4.844 0 40 HJAB C[C@H](NC(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(Oc2cccnc2)cc1 562886919 VGJYFTGNTRVYSL-INIZCTEOSA-N 414.440 4.961 0 40 HJAB Cn1cc(-c2ccc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)s2)cn1 1889277389 MWEMWEUAJSFVHG-UHFFFAOYSA-N 413.974 4.973 0 40 HJAB Cc1cc(N2C(=O)c3cccc4cccc(c34)C2=O)ccc1I 705672 ZLQYRFAOLDUFAL-UHFFFAOYSA-N 413.214 4.553 0 40 HJAB O=C(Nc1cccc(Br)c1)c1cc2cc(Br)ccc2oc1=O 845991 WLIZRKNGLBIABZ-UHFFFAOYSA-N 423.060 4.570 0 40 HJAB O=C(CSc1nc(-c2cccc(Br)c2)n[nH]1)Nc1ccc(Cl)cc1 852498 BOWKUWFOQNGBPY-UHFFFAOYSA-N 423.723 4.618 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nnc2c(C)cc3c(C)ccc(C)c3n12 929699 GNFUNSMSMUNRGP-UHFFFAOYSA-N 420.538 4.937 0 40 HJAB O=C(c1ccc(Cl)cc1)c1nn(-c2cccc(Cl)c2)c(=O)cc1C(F)(F)F 1389631 JOTXWNPAJLILTC-UHFFFAOYSA-N 413.182 4.789 0 40 HJAB O=C(NCCCNC(=O)c1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl 2100971 DGFBUSIWYOZYMR-UHFFFAOYSA-N 420.123 4.850 0 40 HJAB O=S(=O)(NCCc1c[nH]c2ccccc12)c1cc(Cl)c(Cl)cc1Cl 2561504 RLPRFKYLJXLMPU-UHFFFAOYSA-N 403.718 4.649 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(c1cc(C)on1)C3=O 2703590 FEYQOIJNTLWXBR-LJQANCHMSA-N 406.825 4.801 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)cc1 2759847 MJGAXOHUZGMGQD-ZDUSSCGKSA-N 416.319 4.703 0 40 HJAB O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1ncc(Cl)cc1Cl 3257229 YXXNFCGRSHFWBO-UHFFFAOYSA-N 424.309 4.503 0 40 HJAB O=C(CSc1ncnc2sc3c(c12)CCCC3)NC12CC3CC(CC(C3)C1)C2 4174303 DWEPRSCCTKOXAQ-UHFFFAOYSA-N 413.612 4.747 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cccc(C(F)(F)F)c1 4275381 YWPUBWNWPQUZPW-UHFFFAOYSA-N 406.385 4.852 0 40 HJAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccccc1Br 4305090 PPPVZDDNONISST-LJQANCHMSA-N 411.299 4.576 0 40 HJAB CC(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 4557515 OQRZBUAXYJHTTM-AWEZNQCLSA-N 401.304 4.564 0 40 HJAB CCOC(=O)c1c(NC(=O)C(C)(C)C)sc(C)c1-c1ccc(OC)c(OC)c1 4569110 QAFFJIDZGZMOIC-UHFFFAOYSA-N 405.516 4.902 0 40 HJAB C[C@@H](Sc1nc2c(n1-c1ccccc1)CCCC2)c1nc2ccccc2c(=O)[nH]1 5184663 OPCAVQMDCZKSKH-OAHLLOKOSA-N 402.523 4.841 0 40 HJAB COc1ccccc1NC(=O)Cn1c(SCc2ccccc2)nc2ccccc21 5238765 VDSMUPGMPJLZHP-UHFFFAOYSA-N 403.507 4.976 0 40 HJAB COc1cc2sc(NC(=S)NC(=O)c3ccc(C)c(C)c3)nc2cc1Cl 6503707 UFWRNGJKJHISRW-UHFFFAOYSA-N 405.932 4.702 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1 6875963 CSWFPYCAFWMAAO-UHFFFAOYSA-N 417.509 4.605 0 40 HJAB CCOc1ccc(C[C@@H]2SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 6964131 WMDCPSNGOAUKHD-SFHVURJKSA-N 405.903 4.554 0 40 HJAB O=C(c1cc(Cl)ccc1OCc1ccccc1)N1CCN(c2ccccc2)CC1 7367100 FUUDHQFLHOCWQH-UHFFFAOYSA-N 406.913 4.881 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)c(NC(=O)C2CCC2)c1 7764503 CQQQYXOFJICPAF-UHFFFAOYSA-N 416.543 4.556 0 40 HJAB Cc1nc(SCc2c(C)nn(-c3ccccc3)c2Cl)c(C(N)=O)c(C)c1C 8704934 RENYYFLORZLSFN-UHFFFAOYSA-N 400.935 4.546 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 9047124 KLDYPXRCRYXCRR-WMLDXEAASA-N 412.820 4.567 0 40 HJAB O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1cccs1 9366800 PAAWFIBEEUQKID-UHFFFAOYSA-N 412.359 4.907 0 40 HJAB C[C@@H](Sc1nc(Nc2ccccc2)c2ccccc2n1)C(=O)NCc1ccco1 9548595 JIWOBHQJJIIHSP-OAHLLOKOSA-N 404.495 4.763 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1 9680017 QAQVSIPIXVEIMI-QFIPXVFZSA-N 420.900 4.567 0 40 HJAB COc1cc(SC)ccc1C(=O)Nc1nnc(CCCOc2ccccc2)s1 9698644 JQQFAIBYZJMLMO-UHFFFAOYSA-N 415.540 4.533 0 40 HJAB Cc1c(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)[nH]c2c1C(=O)CC(C)(C)C2 9912103 LXTOGDMHYJYNAU-GOSISDBHSA-N 422.525 4.617 0 40 HJAB COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)c3ccccc3)c3nccs3)C2)c1 12183404 QCWKLVUBLXGGEI-IFMALSPDSA-N 421.566 4.535 0 40 HJAB Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2NCc2ccco2)cc1 12419142 HYBDGIISNGOTCA-UHFFFAOYSA-N 408.479 4.996 0 40 HJAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCCSCc1cccs1 12779628 ZMMZQTWENPODIN-UHFFFAOYSA-N 422.572 4.894 0 40 HJAB CC(C)[C@@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccc(C(C)(C)C)cc1 12789848 ZHFINOZTRPKNIO-JOCHJYFZSA-N 410.558 4.943 0 40 HJAB CC(C)Cn1nnnc1S[C@H](C)C(=O)Nc1ccccc1Sc1ccccc1 12846772 NIIMBEVPDWXRJE-OAHLLOKOSA-N 413.572 4.600 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1-c1ccc(Cn2cccn2)cc1 12918083 VPLATORUYIVASO-UHFFFAOYSA-N 411.461 4.622 0 40 HJAB COc1ccc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc3nccnc3c2)cc1 12981278 WTVBWLNRYGUMJA-DEOSSOPVSA-N 408.461 4.630 0 40 HJAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3)o2)cc1OC 13109462 PSYIOMKPGBIKRM-NSHDSACASA-N 419.890 4.527 0 40 HJAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2nc3ccc(C)cc3s2)cc1 13284031 IZZYGJZELZXUBF-UHFFFAOYSA-N 424.551 4.920 0 40 HJAB aggregator Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)Nc3ccccc3)cc2c1 13471723 VCUDGOCHAKDLOW-OAQYLSRUSA-N 421.566 4.523 0 40 HJAB CCOc1cccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)c1 13668503 LURNZFZMBRWMGN-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB O=C(Nc1ccnn1Cc1ccccc1)c1cc(=O)c2cc(Cl)cc(Cl)c2o1 13687978 LUTWGHJEZKHIDG-UHFFFAOYSA-N 414.248 4.597 0 40 HJAB CC[C@H](C(=O)Nc1ccc2ccccc2c1)N(c1cccc(Cl)c1)S(C)(=O)=O 13711999 PENOMDSAZSFZKZ-HXUWFJFHSA-N 416.930 4.677 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2C)c1C 13842433 UARBOYAYEBLCTI-UHFFFAOYSA-N 424.570 4.865 0 40 HJAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 14008114 LTGJYHPTRRGTMH-GOSISDBHSA-N 424.522 4.510 0 40 HJAB CSc1ccccc1NC(=O)CCc1csc(NC(=O)NC2CCCCC2)n1 16978768 IKUKFUJUPFKJLF-UHFFFAOYSA-N 418.588 4.891 0 40 HJAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)on1 19121001 IXADHCFYFKJJQP-INIZCTEOSA-N 405.285 4.586 0 40 HJAB Fc1ccc(N2C(c3ccccc3)=N[C@H](N3CCCCC3)[C@H]2N2CCCCC2)cc1 19319109 MLEUFHNJSXGUHY-RPBOFIJWSA-N 406.549 4.717 0 40 HJAB CCc1ccccc1NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 19927901 DIJARDSMKJGOAY-UHFFFAOYSA-N 417.332 4.527 0 40 HJAB CSc1ccc([C@@H](c2c(NC(C)=O)sc3c2CCCC3)N2CCOCC2)cc1 20192252 QOWXHZRGQCPBJC-NRFANRHFSA-N 416.612 4.729 0 40 HJAB CCOC(=O)c1cnc2c(c(C)nn2-c2ccc(Cl)cc2)c1NCc1ccco1 20405106 POPFNGMYQZLHMT-UHFFFAOYSA-N 410.861 4.764 0 40 HJAB CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(Cl)cc1)C3 20671357 LVQDWMZMAMXJMI-AWEZNQCLSA-N 400.935 4.829 0 40 HJAB COc1ccc(-c2csc3ncnc(NCc4ccc(-n5ccnc5)nc4)c23)cc1 23077809 YMYHKVXAHSMJGM-UHFFFAOYSA-N 414.494 4.560 0 40 HJAB Oc1ccc(Nc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cc1 25784830 UICIJPHFTIKITK-UHFFFAOYSA-N 418.522 4.640 0 40 HJAB Cn1nc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c2ccccc2c1=O 25827729 WOWMIWJJHFRMTE-UHFFFAOYSA-N 405.841 4.632 0 40 HJAB COc1ccc(-c2nnc(SCc3noc(-c4ccc(Cl)cc4)n3)o2)cc1 29257456 ZICGARQKBNFVMO-UHFFFAOYSA-N 400.847 4.741 0 40 HJAB O=C(O)CCC(=O)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 33573712 OFSWBVKSEHHYTE-AISCIVHFSA-N 400.525 4.797 0 40 HJAB O=C(NC12C[C@H]3C[C@@H](C1)CC(C(=O)O)(C3)C2)OCC1c2ccccc2-c2ccccc21 35302277 RXRDRSUDCSEVRK-PISAZTPISA-N 417.505 4.949 0 40 HJAB Cc1cccc(CN2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccc(C)cc43)CC2)c1 44855223 VFNCRMDPGCTCTQ-HSZRJFAPSA-N 406.570 4.934 0 40 HJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NC1(c2ccc(Cl)cc2)CCC1 58421680 CVFXSERSMICLAT-UHFFFAOYSA-N 407.823 4.904 0 40 HJAB O=C(N/N=C/c1ccccc1OCC1CC1)c1cc(-c2ccncc2)nc2ccccc12 63355966 BXACGDUHCPWWHY-LQKURTRISA-N 422.488 4.850 0 40 HJAB O=C1C[C@@H](c2cccc(Cl)c2)c2c(c(C(=O)O)cn2-c2cccc(Cl)c2)N1 66087473 XCRDBASUBCLZPJ-HNNXBMFYSA-N 401.249 4.956 0 40 HJAB Cc1c(C(=O)N2CCC[C@@H]2c2ccccc2)cnn1-c1ccc(Br)cc1 69918912 POYCDILQQVRJSX-HXUWFJFHSA-N 410.315 4.921 0 40 HJAB COc1cccc(NC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c1 72311280 LZYZBRDRDMJJOL-UHFFFAOYSA-N 400.866 4.841 0 40 HJAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(C[C@@H]4CC=CCC4)CC3)C1)c1cccn1-2 72327229 JVEMOIKCJXZBLI-IBVKSMDESA-N 419.569 4.718 0 40 HJAB Cc1cc(-c2cncnc2)cc([C@@H]2CCCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 72353746 ZBSXBZPEWDOMKB-HXUWFJFHSA-N 414.553 4.940 0 40 HJAB COC(=O)c1nc(NC(=O)c2nc(C)sc2C(C)C)sc1Cc1ccccc1 72402146 DPKDFECFAUUYQR-UHFFFAOYSA-N 415.540 4.661 0 40 HJAB CC[C@@H](NC(=O)c1nnn(-c2ccccc2Cl)c1-c1ccccn1)c1cccs1 77199912 UGSNKTMGJYHJJV-OAHLLOKOSA-N 423.929 4.925 0 40 HJAB C[C@@H]1CN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)c2ccccc21 84715162 WMYCCIJQCYIBJG-CVEARBPZSA-N 414.347 4.609 0 40 HJAB O=C(NCCn1nc(-c2cccs2)cc1C1CC1)c1ccccc1Br 96121611 JAGPUZDIXPLOHC-UHFFFAOYSA-N 416.344 4.682 0 40 HJAB CCn1c(Cl)nc2cc(C(=O)N(Cc3ccc(C(=O)O)o3)C3CCCC3)ccc21 222553886 HNTCGOBOQQHDER-UHFFFAOYSA-N 415.877 4.586 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1cccnc1)c1ccccc1 223410674 VCTVQGCDJZYHOT-HSZRJFAPSA-N 421.928 4.531 0 40 HJAB Cc1ccccc1N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c1ccccc1 223462453 GUUZGDBCIGKHHF-UHFFFAOYSA-N 416.587 4.521 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1)c1ccc(C)cc1 223942294 ROLONUVFMFZLAD-JOCHJYFZSA-N 422.550 4.985 0 40 HJAB Cc1ccc(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 224044831 NRTPLVSHKPXHNL-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)c(OC)c1 224813266 KUZZHXPDAFKWGK-YADHBBJMSA-N 422.554 4.658 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 225033071 MSMWIQRWAVLIPX-DEOSSOPVSA-N 422.569 4.630 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 225164228 FZOCHGGHTNBKLQ-QFIPXVFZSA-N 412.599 4.729 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 225194751 LUACCGIECMWAJN-FQEVSTJZSA-N 418.990 4.766 0 40 HJAB CC(C)[C@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 225206574 HLHCXDARBWAKLE-NYHFZMIOSA-N 416.974 4.889 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCSCc2ccccc2F)c1 225612921 AKIGZADAFVUEDG-UHFFFAOYSA-N 420.575 4.921 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 225657917 SIHIZMACGHQJFS-CVDCTZTESA-N 412.549 4.707 0 40 HJAB COc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC(C)C)c1 225663188 FKSKWJMROQKOBQ-HXUWFJFHSA-N 424.585 4.693 0 40 HJAB C[C@H](NC(=S)Nc1nc(Cl)cc(N2C[C@H](C)C[C@@H](C)C2)n1)c1ccccc1 225964039 PVNQKVRMBWQGDV-KFWWJZLASA-N 403.983 4.660 0 40 HJAB Cc1nn(CCNC(=O)NC(c2ccccc2)c2ccccc2)c(C)c1-c1ccccc1 238847786 ISTHBIXLZZIZNM-UHFFFAOYSA-N 424.548 5.256 0 40 HJAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNCc2cnn(C)c2)CC1 257211182 BXUDHVMRFWGASI-UAPYVXQJSA-N 424.614 4.837 0 40 HJAB COc1cc(C)ccc1CNc1cc(-c2c[nH]nc2[C@@H]2CCN(C(C)C)C2)ccn1 257253026 JXHQBHUXMKSZCM-HXUWFJFHSA-N 405.546 4.599 0 40 HJAB CCN1CCN(C(=S)c2ccc(OCc3ccccc3Cl)c(Cl)c2)CC1 408572114 FGCGYTWQOOLJHA-UHFFFAOYSA-N 409.382 4.885 0 40 HJAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2c(C)cccc2C(C)C)ccc1OCC 408587213 SJBOCGHIURWHRJ-UHFFFAOYSA-N 420.531 4.886 0 40 HJAB Cc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 408645017 UFJCIJFXGQYTFW-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1C 408663763 NLDSAVFFIDIMDM-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CCc1ccc(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 409139097 MKVIXQHUHJACPY-UHFFFAOYSA-N 422.550 4.776 0 40 HJAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2c(F)cccc2Cl)C1=O 409156483 SMCWFWIYSMQCDT-SXGWCWSVSA-N 418.877 4.771 0 40 HJAB CCc1s/c(=N\C(=O)c2cccc(Br)c2)n(C)c1-c1ccc(F)cc1 409204020 BMBFCSDXQMZICY-QOCHGBHMSA-N 419.319 4.959 0 40 HJAB O=C(c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCC[C@@H]2C[C@@H]21 672124447 CARNRWRBPKKZOB-QAPCUYQASA-N 412.415 4.578 0 40 HJAB CCOc1ccc2cc3c(N)c(C(=O)Nc4ccc(OC)cc4OC)sc3nc2c1 891606 DUXCEXVGMWYWGW-UHFFFAOYSA-N 423.494 4.700 0 40 HJAB COc1ccc(CCNC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)cc1OC 902948 NGHRJRZJSGLMMY-UHFFFAOYSA-N 424.566 4.628 0 40 HJAB CCOc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)c(OCC)c1 994296 IWXRYZXOIZSAPJ-IDUWFGFVSA-N 407.800 4.760 0 40 HJAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 1359877 WHRUNDVSLUVWRK-AWEZNQCLSA-N 400.841 4.941 0 40 HJAB Cc1ccc(C(=O)Nc2nc(-c3ccc(I)cc3)cs2)cc1 1512582 KJZXYAFINWIUEK-UHFFFAOYSA-N 420.275 4.975 0 40 HJAB Cc1ccc(-c2ccc([C@@H]3NC(=O)c4c(sc5c4CCN(C)C5)N3)o2)cc1Cl 2273125 DVKCMMXFPYHKNY-LJQANCHMSA-N 413.930 4.812 0 40 HJAB CC[C@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(OC)cc1)CC2=O)c1ccccc1 2421721 WTEAXSHWWMTPMI-QUCCMNQESA-N 415.493 4.530 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=S)NCCCN4CCCC4=O)cc3)sc2c1 2645356 SSEGXIXDGUXUQW-UHFFFAOYSA-N 424.595 4.571 0 40 HJAB C[C@H](OC[C@H](O)CNCCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 2654403 FUEIDYCCHGOKMA-SCLBCKFNSA-N 402.749 4.918 0 40 HJAB CCCCCCn1nc(C(=O)Nc2nc3ccccc3s2)c2ccccc2c1=O 3297841 NYLFTKJFZRHJNR-UHFFFAOYSA-N 406.511 4.839 0 40 HJAB CCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OCC 3999971 YQCUZQHFUZYIQY-PUESRJFGSA-N 420.553 4.901 0 40 HJAB biogenic CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC(C)(C)NC2(C)C 4275289 HTVFLEDAMZJLSA-UHFFFAOYSA-N 400.544 4.645 0 40 HJAB Cc1ccc2c(C)nc(Nc3ncc4c(n3)C[C@@H](c3ccc(F)cc3)CC4=O)nc2c1 4488274 GOAVNVYEYMVDGK-MRXNPFEDSA-N 413.456 4.832 0 40 HJAB COCCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2c1cc(O)c1ccccc12 4708664 RMNGZVVUCRTLOT-UHFFFAOYSA-N 419.477 4.669 0 40 HJAB CC(C)c1cc(C(F)(F)F)n2nc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2n1 4861396 PWLYYPWFGOYIPR-UHFFFAOYSA-N 406.452 4.570 0 40 HJAB CCOc1ccc(C(=O)c2cn(Cc3ccccc3F)c3ccccc3c2=O)cc1 4936927 RQZOPQWRCFYKEQ-UHFFFAOYSA-N 401.437 4.819 0 40 HJAB COc1ccccc1/C=C(/C(=O)OCC(=O)N1[C@H](C)CCC[C@H]1C)c1ccccc1 4995833 CXELLKOVNDDUSA-UBTZLSNDSA-N 407.510 4.569 0 40 HJAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2OC)cc1 5175339 LYTDKQCKYHPRGN-IZHYLOQSSA-N 400.434 4.935 0 40 HJAB O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1ccc2c(c1)OCO2 5447328 FTAYFDVYVOOQLI-UHFFFAOYSA-N 405.494 4.901 0 40 HJAB COc1ccc([C@]2(C(=O)Nc3ccccc3C)CC(=O)N2c2ccc(Cl)cc2)cc1 5452217 QFXXBVBVIRLUDW-DEOSSOPVSA-N 420.896 4.928 0 40 HJAB Cc1ccccc1OCc1nc2ccccc2n1C[C@H](O)COc1c(C)cccc1C 5590183 KMAORXHEWYUQIC-NRFANRHFSA-N 416.521 4.980 0 40 HJAB Cc1c(Cl)cccc1NC(=O)COC(=O)COc1ccc(Cl)cc1Cl 5655756 KWOMTUBRRHUGGL-UHFFFAOYSA-N 402.661 4.516 0 40 HJAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 5866245 RYWZNLWCNRCBPA-OAQYLSRUSA-N 415.331 4.714 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 6307222 XQNYKENMVVLERE-UHFFFAOYSA-N 406.463 4.956 0 40 HJAB CC(C)CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 6325900 DOUVAHMFRCYSML-INIZCTEOSA-N 400.906 4.757 0 40 HJAB c1ccc(CN2[C@H](n3nnc4ccccc43)CCC[C@H]2n2nnc3ccccc32)cc1 6475071 LPYAYUKCSXCEBZ-DNQXCXABSA-N 409.497 4.560 0 40 HJAB CC(C)Oc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 6762731 SGGHYHONEBOBJL-UHFFFAOYSA-N 415.795 4.942 0 40 HJAB Cc1ccc(C)n1NC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2Cl)cc1 7302002 CWRAZTKRCPRBSC-INIZCTEOSA-N 411.889 4.548 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCC[C@H]5CCCC[C@H]54)c(=O)c23)cc1 7475316 HEOCTPVJVPZOJW-UYAOXDASSA-N 421.566 4.615 0 40 HJAB CCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1cccc(Cl)c1 7501825 MSBBWBLHTDNPMJ-SFHVURJKSA-N 412.946 4.730 0 40 HJAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cccc(Oc3ccccc3)c2)c1 7795698 ZSGDZHWZXHOXAN-UHFFFAOYSA-N 401.871 4.788 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 8049359 IOPWFLYKUYIRCE-UHFFFAOYSA-N 422.978 4.957 0 40 HJAB O=c1/c(=C/c2c[nH]c3ccc(OCc4ccccc4)cc23)sc2nc3ccccc3n12 8399534 OJFPLQDVOIZKHN-FMCGGJTJSA-N 423.497 4.517 0 40 HJAB CCOc1cccc2cc(C(=O)N3CCN(c4nc5c(C)cccc5s4)CC3)oc12 9133848 AZFIVTRORSKLOW-UHFFFAOYSA-N 421.522 4.712 0 40 HJAB Cc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)s2)cc1C 9199764 MOBDRDUTJIKHCH-SFHVURJKSA-N 420.538 4.545 0 40 HJAB C[C@H]1Sc2ccc(C(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)cc2NC1=O 9219859 NZIDEGINMZFKNP-GFCCVEGCSA-N 420.519 4.748 0 40 HJAB Clc1ccc2c(c1)C1=C([C@@H](c3cccs3)O2)[C@H](c2cccnc2)N2N=CNC2=N1 9309723 SJVUTIAVXGJGJS-VQTJNVASSA-N 419.897 4.601 0 40 HJAB COc1cccc(C(=O)c2c(N)c(C(=O)Nc3ccc(Cl)cc3)c3ccccn23)c1 9316854 UMWXJBZAKGVDDK-UHFFFAOYSA-N 419.868 4.667 0 40 HJAB Cc1ccc(C(=O)N(C)Cc2ccccc2N2CCCC2)cc1NC(=O)c1ccco1 9516337 ZWENDGBHFCNSBM-UHFFFAOYSA-N 417.509 4.713 0 40 HJAB CCOc1ccc(NC(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)cc1 9586712 PTYUQCKKSXJWPT-UHFFFAOYSA-N 421.544 4.932 0 40 HJAB CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1 9593410 MKHYSQXSYRUQLO-OAQYLSRUSA-N 419.408 4.669 0 40 HJAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(F)c(F)c1F 9645275 BJOVJOGETXJDQX-NSHDSACASA-N 418.444 4.681 0 40 HJAB Cc1ccc(C)c(-c2csc(NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)n2)c1 10253370 JYHHDDQETGVKOG-UHFFFAOYSA-N 414.552 4.861 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C(C)C)C(C)C)cc2C)cc1 10314356 JKOHOOZZDUFDSX-UHFFFAOYSA-N 402.560 4.515 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3F)cc2C)cc1 10367592 OCWLQEFPVAIQOY-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(C2SCCS2)cc1 11083058 OVVOKSAKQHXTBJ-UHFFFAOYSA-N 409.580 4.682 0 40 HJAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCCN1C(=O)C1CCCC1 12085341 NEHNULVYCKQYCT-MRXNPFEDSA-N 406.448 4.510 0 40 HJAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@@H](C)n2nc(C(F)F)cc2C)n1 12227888 JVHYAUKRSSNQMA-DOMZBBRYSA-N 410.515 4.617 0 40 HJAB O=C(NC1CC1)[C@@H](Sc1nccn1-c1ccc(Cl)cc1)c1ccc(F)cc1 12478770 JBQXVXURALLTOL-SFHVURJKSA-N 401.894 4.777 0 40 HJAB Cc1ccccc1-n1c(SCc2nc(CC(C)C)no2)nnc1-c1cccnc1 12738926 HJTLVCCROYIJDW-UHFFFAOYSA-N 406.515 4.512 0 40 HJAB Cc1ccc(-c2nc(CC(=O)NC[C@@H](c3cccc(F)c3)N(C)C)cs2)c(C)c1 13009210 RLZSRTMIWBVGPV-NRFANRHFSA-N 411.546 4.528 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2cccc(C)c2)sc2c1CCCC2 14022523 VBKPQZLMBQQBGQ-KRWDZBQOSA-N 401.528 4.908 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2C)c1 14081996 LBDIANLGVJIILU-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(-n2cnc3ccccc3c2=O)c1 14128749 RMYPPYVFIWEXSK-UHFFFAOYSA-N 409.367 4.657 0 40 HJAB C[C@@H]1Sc2ccc(C(=O)Nc3nc(-c4cc(F)ccc4F)cs3)cc2NC1=O 14706997 WHVMYNRDTTXBHJ-VIFPVBQESA-N 417.462 4.773 0 40 HJAB COc1ccc(CCN(C)C(=O)c2sc(-c3cccs3)nc2C)cc1OC 15664604 NPBIRFRPPGDFEC-UHFFFAOYSA-N 402.541 4.512 0 40 HJAB CC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(=O)Nc2cccc(C)c2)C1 17090013 CVWAYFIIMPPVSB-CQSZACIVSA-N 414.527 4.627 0 40 HJAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cccc2c(O)cccc12 17092600 BHWSBEYUMGLUHK-UHFFFAOYSA-N 421.305 4.988 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)C[C@H]3CC(C)(C)OC3=O)CC2)n1 19691234 YONMOQBEPSCOIA-FQEVSTJZSA-N 424.516 4.634 0 40 HJAB CCN(Cc1cnn(C)c1)[C@H]1CCO[C@@H](c2ccccc2-c2ccc(OC)cc2)C1 19711906 CSDJENMFQGZRGP-SQJMNOBHSA-N 405.542 4.838 0 40 HJAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ncc(-c4ccc(F)cc4)n3C)c2)n1 19718326 CWKDMJLQIBIXAV-UHFFFAOYSA-N 423.879 4.934 0 40 HJAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccccc4C)ccc32)cc1 20765975 ZRJRUFMRADERHZ-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 26872497 LJMPOBNTMKJVCX-OAHLLOKOSA-N 408.473 4.588 0 40 HJAB CCC(CC)c1nnc(NC(=O)COc2c(C)cc(Br)cc2C)s1 28284399 GYMSDOVDFNPHPG-UHFFFAOYSA-N 412.353 4.839 0 40 HJAB CCc1ccc2oc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)c(C)c2c1 28402931 WRHJLJGDCNOUHW-UHFFFAOYSA-N 414.508 4.569 0 40 HJAB CC(C)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2c(Cl)cccc21 32105230 GHUVHWXBZDXLNY-QHCPKHFHSA-N 420.900 4.806 0 40 HJAB CC(C)c1noc(-c2ccc(OCC(=O)NCc3ccccc3C(F)(F)F)cc2)n1 32578890 FZXBJOULFRPXTN-UHFFFAOYSA-N 419.403 4.574 0 40 HJAB Fc1ccc(-c2cc3c(N4CCN(c5cccc(Cl)c5)CC4)nccn3n2)cc1 33266299 PTVOUTZAPPLUDG-UHFFFAOYSA-N 407.880 4.515 0 40 HJAB Cc1cccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3F)n2)c1 33324994 UUBBQDFURWUIKR-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB CCOc1ccc(-c2nc(CC(=O)NCc3ccsc3-n3cccc3)cs2)cc1 40155030 ICYOLFZTQHQHKV-UHFFFAOYSA-N 423.563 4.920 0 40 HJAB Cc1nn2c(ncc3c(=O)n(CCc4cccs4)ccc32)c1-c1ccc(Cl)cc1 40397728 HWRWFIBYRHTBGJ-UHFFFAOYSA-N 420.925 4.977 0 40 HJAB CCOc1cccc([C@@H](C)NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1 60183063 ZUIVNXARPYRFBJ-DVECYGJZSA-N 416.521 4.824 0 40 HJAB CCC[C@@H]1CCc2nc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)sc2C1 60309350 MYAVNKZCLGHSAQ-OAHLLOKOSA-N 420.538 4.948 0 40 HJAB O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccccc2F)C1)C1CCCC1 72341418 XNKYNBCQZVBIDK-ICSRJNTNSA-N 401.551 4.542 0 40 HJAB Cn1c(SCC(=O)c2cc3c(c4c2CCCC4)CCCC3)nc2ccccc2c1=O 96191747 SMJDBBXVYIXAAA-UHFFFAOYSA-N 418.562 4.666 0 40 HJAB COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1ccc(N3CCC(C)CC3)cc1)cn2C 141540949 JSIMQPBAVCWHBN-IBGZPJMESA-N 419.569 4.784 0 40 HJAB COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 222932296 NJLWNRPMBNWXFS-FCHUYYIVSA-N 406.555 4.509 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 222993108 UVBRDKJVAKDWPU-FQEVSTJZSA-N 410.558 4.522 0 40 HJAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)N(Cc4ccccc4)Cc4ccccc4)cn1c23 223096040 FISYAFAQFMHKMD-LJQANCHMSA-N 408.501 4.961 0 40 HJAB CCC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223594229 FDUYKXRSYPTXRA-UTKZUKDTSA-N 400.950 4.605 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 224227432 IYOACXJFUAUXMT-QFIPXVFZSA-N 412.599 4.729 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1cccc(C)c1 224386120 WZCIDLPRDOUUCQ-UHFFFAOYSA-N 419.477 4.996 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 224579793 FQXMJPLGPFWWGA-DEOSSOPVSA-N 424.585 4.570 0 40 HJAB COc1ccc(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)cc1 224877881 MHAWAPHEBZPQDV-UHFFFAOYSA-N 401.260 4.684 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1C 225167760 GCYQCSYWLJPGBC-SFHVURJKSA-N 400.950 4.525 0 40 HJAB Cc1ccc(S(=O)(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@H]2c2ccccc2)cc1 239415257 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Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3Br)o2)c1 850365 RFIMTFZWRZBDPL-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nc3cc4c(cc3cc2C)OCCO4)c(C)c1 928305 BVQAFODBPRVBEQ-UHFFFAOYSA-N 408.523 4.970 0 40 HJAB Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccco2)c(C)c1 1379926 LHBJUSIJCPUEDU-QFIPXVFZSA-N 406.482 4.936 0 40 HJAB CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2390125 PVFGJCPKWYSBBI-JOCHJYFZSA-N 415.445 4.839 0 40 HJAB COc1ccc([C@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 2398505 QJBBTJIQQBXLJL-DFHRPNOPSA-N 403.459 4.705 0 40 HJAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 2446478 ZGWJKMVATQNUKH-UHFFFAOYSA-N 400.935 4.990 0 40 HJAB CCOc1ccc(Cc2nc3c4c5c(sc4ncn3n2)CCCC5)cc1OCC 2788208 GOHQZZDIDFNSDZ-UHFFFAOYSA-N 408.527 4.606 0 40 HJAB O=C(NCc1ccccc1)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1 3041721 FMYFAPHYFGCAGV-UHFFFAOYSA-N 421.711 4.787 0 40 HJAB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1cccc(Br)c1 3217163 GYMPTYCCLJOFLP-UHFFFAOYSA-N 424.294 4.835 0 40 HJAB COc1ccc(CCN[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1OC 3281958 FBBNVLNIKGPJOD-SFHVURJKSA-N 404.510 4.530 0 40 HJAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 3363100 LDBSQQHOZIUEEI-LLVKDONJSA-N 423.325 4.702 0 40 HJAB Cn1c(SCC(=O)Nc2ccc(C3CCCCC3)cc2)nc2ccccc2c1=O 4167838 CXXARFYLXXKYKE-UHFFFAOYSA-N 407.539 4.712 0 40 HJAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ncnc2c(-c3ccc(F)cc3)nsc12 4885994 MUKYFAXMEFAQCP-DOMZBBRYSA-N 416.547 4.679 0 40 HJAB COC(=O)Cc1c(C)c2cc(Cl)c(OCc3ccc(Cl)cc3)cc2oc1=O 5047139 PWEXSLIPPHEHNR-UHFFFAOYSA-N 407.249 4.703 0 40 HJAB CCc1ccc(Nc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)s2)cc1 6319638 TURKBRCGNBMDPV-UHFFFAOYSA-N 412.540 4.778 0 40 HJAB C[C@H]1CCCN(CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2)C1 6670413 OIHFFRCFKVWSAP-HNNXBMFYSA-N 410.901 4.784 0 40 HJAB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 6963652 VADHAPGXSVYCHC-FYJGNVAPSA-N 403.507 4.703 0 40 HJAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)C(c1ccccc1)c1ccccc1 8327433 JFIKCLGFGCYUGQ-UHFFFAOYSA-N 401.466 4.900 0 40 HJAB CN(Cc1ccco1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 8750140 HMOXRHQVYYDAPO-UHFFFAOYSA-N 405.885 4.987 0 40 HJAB O=C(NCCCNC(=O)c1cccs1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 9227315 QQMOOMMWQKBDTC-UHFFFAOYSA-N 423.321 4.865 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C)c3C)c2C)cc1 10331163 RCSPRGLSFYLLHM-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)CCc2nc(-c3ccccc3)no2)cc1 12753785 YAKDCFOUYVSRSD-NRFANRHFSA-N 405.498 4.822 0 40 HJAB COc1cc(OC)c(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)cc1Cl 12805859 DECGDULPNZNYAS-LBPRGKRZSA-N 419.934 4.598 0 40 HJAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)NCCC1=CCCCC1 12975949 AFNBMBOYCXZEBJ-UHFFFAOYSA-N 417.571 4.557 0 40 HJAB Cc1ccc(Oc2ccccc2NC(=O)CN2C(=O)CCOc3ccccc32)cc1 12978254 CTXHHFLMYUXZFB-UHFFFAOYSA-N 402.450 4.542 0 40 HJAB CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1ccoc1C 12980426 OXZNSDYUJUAGKF-UHFFFAOYSA-N 401.879 4.862 0 40 HJAB O=C(CNC(=O)NCc1ccccc1)Nc1ccccc1Oc1ccccc1Cl 12981890 VQKJSBSSMIWBBI-UHFFFAOYSA-N 409.873 4.570 0 40 HJAB O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)Nc1nccs1 13552320 VRIHVYWFQVOJDZ-UHFFFAOYSA-N 412.854 4.587 0 40 HJAB CC(C)Oc1cccc(-c2nnc(SCc3cccc(Br)c3)n2N)c1 16756227 VPTZTXMFVXAUBG-UHFFFAOYSA-N 419.348 4.501 0 40 HJAB COc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1OC 16837467 KWZBCSQYDYSLLI-UHFFFAOYSA-N 416.477 4.549 0 40 HJAB Fc1ccc(CNCc2cn3c(-c4ccc(Br)cc4)nnc3s2)cc1 17155921 RETRHUUGKKWMGE-UHFFFAOYSA-N 417.307 4.649 0 40 HJAB Cc1cccc2c(-c3ccncc3)c([C@H]3CCCN(C(=O)[C@H](C)N4CCCC4)C3)[nH]c12 19236514 YFAWISKYCNSWKX-FPOVZHCZSA-N 416.569 4.729 0 40 HJAB Cc1c(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cccc1C(=O)N1CCCC1 19662127 HGXSVYMZQBCQCL-UHFFFAOYSA-N 420.900 4.594 0 40 HJAB O=C(Cc1ccccc1)N[C@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20510111 XJEVWFJHBBNQGO-OAQYLSRUSA-N 403.869 4.838 0 40 HJAB CCc1cccc(C)c1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O 24607685 VXGRTKOKJUCTGU-UHFFFAOYSA-N 424.497 4.511 0 40 HJAB O=c1c2ccccc2nc(SCCn2c(=O)oc3ccccc32)n1C1CCCCC1 26031646 RWHDGDFCSNAXQV-UHFFFAOYSA-N 421.522 4.602 0 40 HJAB CCN(C(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)c1ccc(OC)cc1 28628108 VTBCWDDIVDXFFW-SFHVURJKSA-N 416.783 4.572 0 40 HJAB O=C(CCc1ccco1)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 29255567 UQCOTWIYZHCAGN-UHFFFAOYSA-N 414.958 4.939 0 40 HJAB COc1ccccc1-c1cc(C[S@](=O)Cc2coc(-c3ccc(C)cc3)n2)on1 32801528 UYCZNAJBLDJULB-LJAQVGFWSA-N 408.479 4.763 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1CSc1nc2ccccc2[nH]1 32973825 LOXMWCHHHFLAOJ-UHFFFAOYSA-N 403.463 4.836 0 40 HJAB Cc1nn(C)cc1-c1nn(-c2ccc(Cl)cc2Cl)c(-c2cn(C)nc2C)c1C 36611645 KTZHSSBWTGRWBJ-UHFFFAOYSA-N 415.328 4.905 0 40 HJAB COc1cc(CNc2ccc(Br)cc2)cc(Br)c1OC 36815603 YCEFZFKGVAKDJV-UHFFFAOYSA-N 401.098 4.841 0 40 HJAB COc1ccc(Cl)cc1NC(=O)NCCc1csc(-c2ccc(F)cc2)n1 38667486 VDJXZJJMZSPFQH-UHFFFAOYSA-N 405.882 4.975 0 40 HJAB O=C(Nc1cccc(Cl)c1)C1CCN(Cc2ccc(Br)cc2)CC1 38833837 FHMLNQRQTUONNL-UHFFFAOYSA-N 407.739 4.953 0 40 HJAB O=C(CCc1nc(-c2ccco2)no1)N[C@H](c1ccc2c(c1)CCC2)c1cccs1 40052362 SRXNQNTZLADYEG-JOCHJYFZSA-N 419.506 4.718 0 40 HJAB CC(C)[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(C2CCCCC2)cc1 40058009 UPVWDLWLPLHYJN-QHCPKHFHSA-N 403.526 4.869 0 40 HJAB CCN(c1ccc(NC(=O)Cc2ccc(NC(=O)c3cnoc3C)cc2)cc1)C(C)C 57866274 DJNDKUQXSHGZIG-UHFFFAOYSA-N 420.513 4.651 0 40 HJAB O=C(Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1)Nc1ccccc1 67207298 MCBXIHCFMIIFCR-UHFFFAOYSA-N 423.270 4.606 0 40 HJAB O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1F 67292924 SBHLOJLEMFSILW-IAIVQWBNSA-N 418.827 4.506 0 40 HJAB COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1Cc1ccccc1 70005768 IWFUQLSGHJWZQF-UHFFFAOYSA-N 401.506 4.973 0 40 HJAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(C3CC3)s2)C12CCCC2 72402034 FUOIEJWZDOXSRJ-GOSISDBHSA-N 424.570 4.707 0 40 HJAB CC(C)c1cc(Br)ccc1NC(=O)CCc1nc(-c2ccccn2)no1 95444932 HKVNCCXQXRBFDB-UHFFFAOYSA-N 415.291 4.589 0 40 HJAB CCN(CC(=O)Nc1ccccc1OC)Cc1nc(-c2c(F)cccc2F)cs1 96012913 CDJCZNSWIMAYTI-UHFFFAOYSA-N 417.481 4.558 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 206658886 SZNHKARMIUZAGS-GPHNJDIKSA-N 416.521 4.599 0 40 HJAB Cc1ccc(CNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)CCc2ccccc2)cc1 222765334 ILIUJGNIGOXHPC-JOCHJYFZSA-N 414.549 4.661 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 223091069 NXGYPQFGQRVIOF-OAQYLSRUSA-N 424.585 4.831 0 40 HJAB COc1ccc(C(=O)N2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)cc1OC 223125284 GNOZQELCAFDPNB-UHFFFAOYSA-N 424.541 4.627 0 40 HJAB CC[C@@H](NS(=O)(=O)Cc1cccc(Br)c1)c1ccc2c(c1)CCCC2 223129240 GJCHUNISSBTGCZ-HXUWFJFHSA-N 422.388 4.899 0 40 HJAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223537873 HGMWNYOLMBXSAA-GCJKJVERSA-N 414.977 4.995 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 223606237 IYJXPPQQSNTONK-OAQYLSRUSA-N 400.950 4.606 0 40 HJAB O=C(NCCOc1ccccc1Cl)c1ccc(CN2CCc3ccccc32)cc1 224336383 BLLBNLULWMTDTJ-UHFFFAOYSA-N 406.913 4.712 0 40 HJAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)C 224873527 IGJKCQPEZWJYRV-OAQYLSRUSA-N 400.950 4.605 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 225162560 ZKORKJSNAPYTAJ-NRFANRHFSA-N 400.950 4.525 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 225458649 YABRFINKQXVINZ-DENIHFKCSA-N 412.599 4.809 0 40 HJAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(OC)cc1 225583493 LJNSICWJMBKQJA-QFIPXVFZSA-N 418.940 4.967 0 40 HJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 257238267 HKFJCOPMDVEZSZ-UHFFFAOYSA-N 411.452 4.905 0 40 HJAB Fc1ccc(N2[C@@H](n3nnc4ccccc43)CCC[C@@H]2n2nnc3ccccc32)cc1 408722470 UOTANFADQCVGAX-GOTSBHOMSA-N 413.460 4.703 0 40 HJAB NC(=O)/C=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 409416231 LLTCMGWSQMIXOM-KXFIGUGUSA-N 401.087 4.833 0 40 HJAB Cc1ccc(-c2nc(CN3CCN(C(=O)c4ccccc4Cl)CC3)c(C)o2)cc1 575615139 FPOWQZXXURCJMN-UHFFFAOYSA-N 409.917 4.570 0 40 HJAB Cc1ccc(C(=O)N2CCCCN(C)C(=O)c3ccccc3O[C@H]3CCCC[C@H]32)cc1 643562504 XOFJPXXDHDYUDE-VWNXMTODSA-N 420.553 4.693 0 40 HJAB O=C(N[C@H]1CCc2ccc(-c3ccccc3)cc21)N1CC[C@]2(C1)C(=O)Nc1ccccc12 681802544 DHILPBXCUCOMFM-WNCULLNHSA-N 423.516 4.646 0 40 HJAB O=C(NC1(CO)CCSCC1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 1570252778 BFAQCEDJBOSESF-UHFFFAOYSA-N 412.338 4.774 0 40 HJAB CCCCCc1cc(=O)oc2c(C(=O)[C@@H](C)CC)c3c(c(O)c12)C[C@H](O)C(C)(C)O3 2332242468 ULRVFRRDAPOETF-BBRMVZONSA-N 416.514 4.535 0 40 HJAB C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3c(Cl)cccc3Cl)c2C(N)=O)C1 995839 PEAISBLXNAQEKB-QROSGCPLSA-N 409.338 4.931 0 40 HJAB COc1cccc(C(=O)CSc2nnc(C)c3c(C)n(-c4ccc(C)cc4)nc23)c1 1016769 GVVBFUKKWIZBIT-UHFFFAOYSA-N 418.522 4.724 0 40 HJAB COc1ccc(-c2csc(NC(=O)CSc3ncc(-c4ccccc4)[nH]3)n2)cc1 1355606 BFOQXJJEJXUAQZ-UHFFFAOYSA-N 422.535 4.940 0 40 HJAB CCc1ccc(-c2nnc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn23)cc1 2219524 FCBXOCCJENVDLH-UHFFFAOYSA-N 409.280 4.999 0 40 HJAB CSc1nnc(CSc2nc(C)cc(C)n2)n1-c1cccc(C(F)(F)F)c1 2706439 NGTZNDUTYZMBQF-UHFFFAOYSA-N 411.478 4.707 0 40 HJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(C(=O)O)cc1 3243211 XLCROLXGEYCWIP-DTQAZKPQSA-N 409.445 4.889 0 40 HJAB Nc1nnc(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)s1 3297182 IGOOLJLRJRCPGC-UHFFFAOYSA-N 408.961 4.656 0 40 HJAB Cc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc(O)cc2)nc1 3655769 DEDNYYHRDJSCDO-QFIPXVFZSA-N 412.445 4.569 0 40 HJAB O=C(Cc1ccccc1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 4119616 BCAOGCTVRKXDIS-UHFFFAOYSA-N 421.488 4.751 0 40 HJAB CCCCN1C(=O)c2cccc3c(NC(=O)c4cc5ccccc5oc4=O)ccc1c23 4224119 LLJKQUUNPJGEGW-UHFFFAOYSA-N 412.445 4.959 0 40 HJAB O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cccc(C(=O)O)c1 4258297 LLPHJJUTLVBKGR-UHFFFAOYSA-N 405.494 4.870 0 40 HJAB O=C(O)c1c2c(nc3ccccc13)[C@H]1Cc3c(nc4ccccc4c3C(=O)O)[C@@H](C2)C1 4648867 RNCYOTIGFIMBBD-CHWSQXEVSA-N 410.429 4.549 0 40 HJAB CCCCN(CCCC)C(=O)CSc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3 4935108 SXYYWKKTXHBSRY-AWEZNQCLSA-N 420.648 4.919 0 40 HJAB Cc1cccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3Cl)c2=O)c1 4971944 HMPAYSZIZUVASK-UHFFFAOYSA-N 402.841 4.793 0 40 HJAB COc1ccc(-c2cc3nccc(C4CCN(C(=O)OC(C)(C)C)CC4)n3n2)cc1 5007092 OLWWFKUDQIVVNW-UHFFFAOYSA-N 408.502 4.519 0 40 HJAB CCOc1cccc(-c2nnc3sc(-c4ccc(Br)cc4)nn23)c1 5100405 OLWDVEOZTGTXRI-UHFFFAOYSA-N 401.289 4.681 0 40 HJAB Clc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1cccnc1)N1NC=NC1=N2 5516536 PWKDSKMQHOTDTE-FGZHOGPDSA-N 413.868 4.539 0 40 HJAB Cc1ccc(NC(=O)n2cnc3ccccc32)cc1NC(=O)n1cnc2ccccc21 5618230 WSUUNCXMFNQSHU-UHFFFAOYSA-N 410.437 4.855 0 40 HJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(Cl)c(O)c(Cl)c1 6583734 HIOWVBGCZXLKIM-UHFFFAOYSA-N 417.296 4.936 0 40 HJAB COc1cc([C@@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1ccc(C)cc1 6678795 UIZBYQWMMGBTHK-BTYIYWSLSA-N 423.538 4.777 0 40 HJAB CCOC(=O)c1ccc2c(c1)nc(COc1ccc(Br)cc1)n2CC 8653958 JDMAKIVHGUPGAZ-UHFFFAOYSA-N 403.276 4.574 0 40 HJAB CN(CC(=O)NCCc1c[nH]c2ccccc12)[C@H](c1ccccc1)c1ccc(F)cc1 11651770 DGRRRNNLVBMYJA-AREMUKBSSA-N 415.512 4.687 0 40 HJAB O=C(Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21)N1CCc2ccccc21 11695944 ZAHVLUQUKIHSPC-UHFFFAOYSA-N 420.472 4.948 0 40 HJAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccc(Cl)c(Cl)c1 12762190 YVFIXEOUKRYRBX-UHFFFAOYSA-N 422.337 4.742 0 40 HJAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12 13655434 BGZMAOIBEVXKOJ-UHFFFAOYSA-N 403.869 4.743 0 40 HJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 13847413 GYVRFDHHGIRQOL-FQEVSTJZSA-N 410.514 4.554 0 40 HJAB Cc1noc(C)c1C(=O)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 14015753 MNBBDEFPOBDPPU-UHFFFAOYSA-N 418.478 4.920 0 40 HJAB CCc1noc(C)c1C(=O)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 14083166 UTIZNEBLEIOYIY-JXMROGBWSA-N 404.466 4.677 0 40 HJAB CCOc1cc(C(=O)Nc2nccs2)cc(Br)c1OCCC(C)C 14092982 KNQJUAJREDHVDT-UHFFFAOYSA-N 413.337 4.982 0 40 HJAB CC(C)(C)[C@@H]1CCc2c(sc3ncc(NC(=O)c4ccc(Cl)cc4)c(=O)n23)C1 14291527 ANMMJPOTDWKFJY-CYBMUJFWSA-N 415.946 4.813 0 40 HJAB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)o2)c([N+](=O)[O-])c1 16410024 XHMIXEMIAGMENF-YSKWHIJTSA-N 417.421 4.648 0 40 HJAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(NC(C)=O)cc4)sc3n2)cc1 16992519 ZDUMYHWBSZGGHW-UHFFFAOYSA-N 420.494 4.591 0 40 HJAB CC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 17987450 UZIIVAVUVWZCIQ-NHCUHLMSSA-N 403.478 4.659 0 40 HJAB O=C(NC1CCN(C[C@H](c2ccccc2)C2CCCCC2)CC1)c1n[nH]cc1Cl 19369236 LPXYLNCGFLCOQI-HXUWFJFHSA-N 414.981 4.621 0 40 HJAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3Cc3c[nH]nc3C(C)(C)C)cc2N1 19574851 HKTSLHKQSKOYDU-UHOFOFEASA-N 410.488 4.548 0 40 HJAB COc1cccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 20105414 PIGSFLKBNLYMPO-CYBMUJFWSA-N 414.354 4.819 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)CSc2nc3ccccc3s2)cc1OC 22456982 MMVXEEUZEAJBTP-MRXNPFEDSA-N 414.552 4.769 0 40 HJAB Cc1cc(C)c2c(C)c(C(=O)N[C@@H](c3ccc(F)cc3)c3nccn3C)sc2n1 23778186 ZVDMIEFHPQPNOW-SFHVURJKSA-N 408.502 4.614 0 40 HJAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 24677731 BXLQQCXCYIIYTI-UHFFFAOYSA-N 407.373 4.513 0 40 HJAB O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 27909391 NSKSTTCISBMVHU-JOCHJYFZSA-N 401.466 4.544 0 40 HJAB COc1cc(CN[C@H](c2ccccc2)c2ccccn2)ccc1OCc1ccncc1 30544728 UMJIMTYNMSCTEB-AREMUKBSSA-N 411.505 4.943 0 40 HJAB COc1ccc([C@H](CNCc2cccc(OCc3ccccn3)c2)N2CCCC2)cc1 30545074 WGFDJTOIQTZZLV-SANMLTNESA-N 417.553 4.596 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 30943375 YRRDLXLCYHIDRG-FQEVSTJZSA-N 412.505 4.633 0 40 HJAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)n2)cc1 32578462 AOYPZFNVYZLIOV-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB Cc1cc(F)ccc1NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 32578565 BLNWDDXAFWWACH-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB CCCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1Cl 32624510 LAEBFOGHSYNOSW-SNVBAGLBSA-N 409.269 4.754 0 40 HJAB CCOc1ccc([C@H](NC(=O)CCCNC(=O)c2ccccc2)c2ccccc2)cc1 32914834 JYWMPERTMLPUJA-RUZDIDTESA-N 416.521 4.501 0 40 HJAB COc1ccc(NC(=O)N2CCC(n3cnc4cc(C(F)(F)F)ccc43)CC2)cc1 35289474 KFQBVOAWDXACGY-UHFFFAOYSA-N 418.419 4.933 0 40 HJAB CSc1cccc(N2C[C@H](C(=O)Nc3nc4ccc(Cl)cc4s3)CC2=O)c1 40159760 YJRQBRHHKOAUBU-LLVKDONJSA-N 417.943 4.663 0 40 HJAB COc1ccc([C@H](C)NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1OC 40488464 JXQLLHVTMGFRIT-NSHDSACASA-N 418.852 4.951 0 40 HJAB COc1cc(C)ccc1Oc1ccc(NC(=O)c2cc3ccccc3oc2=O)cn1 41948326 NSACNAZKPVXAJO-UHFFFAOYSA-N 402.406 4.550 0 40 HJAB O=C(Nc1ccccc1O)c1cccnc1Oc1ccc(F)cc1Br 58370110 UTGHHKIQWJPQBS-UHFFFAOYSA-N 403.207 4.733 0 40 HJAB Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCCN(C)c2ccc(Cl)cc21 78876593 UZNINPRCNZVHKJ-UHFFFAOYSA-N 412.965 4.534 0 40 HJAB Cc1ccc(C(=O)c2cc3c(cc2NC(=O)CCc2ccccc2)OCCO3)cc1 80340222 HXJNLTAKDWTACD-UHFFFAOYSA-N 401.462 4.569 0 40 HJAB COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1OC 83960107 XXBZVSFHPVZTQJ-BHDDXSALSA-N 411.517 4.960 0 40 HJAB Cc1cccc([C@H](C)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1 95967346 PDCIXTMDAMMVRT-FQEVSTJZSA-N 404.533 4.707 0 40 HJAB Clc1ccccc1OCc1nnc(SCCCc2ccncc2)n1C1CC1 96010354 YVWMRHRWTWXMSJ-UHFFFAOYSA-N 400.935 4.965 0 40 HJAB CCN(CCO)c1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)c(C)c1 96767652 LDTYFSRFOJSQEL-SDXDJHTJSA-N 410.539 4.829 0 40 HJAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2ccccc2)C[C@@H](c2ccco2)C1 102315218 ZRUUHKDLWPMVIM-SJKOYZFVSA-N 400.360 4.955 0 40 HJAB CCOC(=O)c1cn(Cc2ccccc2C)c2cc(C(F)(F)F)c(F)cc2c1=O 199801318 WHACLKFTALJBOL-UHFFFAOYSA-N 407.363 4.693 0 40 HJAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 205764954 NOWIVCNEQLVRMW-CXUHLZMHSA-N 405.859 4.588 0 40 HJAB CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1cc(C)ccc1C)S(C)(=O)=O 220542464 VQZZUTASWGTBSD-HXUWFJFHSA-N 402.560 4.610 0 40 HJAB COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)n2)c1 223342194 MXVTVSVRJYBYCT-KRWDZBQOSA-N 423.513 4.603 0 40 HJAB Cc1cccc(CN(C(=O)COc2ccccc2C(C)C)[C@@H](C)C(=O)NCC(C)C)c1 224173159 XWFGGOKXQOWOLB-NRFANRHFSA-N 424.585 4.687 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 224304912 YVEGISQBTKMQDP-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 224511238 XXJBBJSEIWTJRC-IBGZPJMESA-N 414.977 4.505 0 40 HJAB O=C(N[C@H]1CCCc2ccccc21)/C(=C/c1cccs1)NC(=O)c1ccccc1 225239907 ISBKKCQKUMHMTK-YVUGPFRESA-N 402.519 4.713 0 40 HJAB Cc1cccc(CN(C(=O)CCc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)c1 225512637 NEXGGRYFWMKONV-SFHVURJKSA-N 400.950 4.523 0 40 HJAB O=C(c1ccccc1Cn1ccnc1)N1CCC[C@@H](Cc2cccc3cccnc23)CC1 257318979 VQEKUBTTWGFLQP-OAQYLSRUSA-N 424.548 4.965 0 40 HJAB C[C@H](NC(=S)Nc1nc(N2CCCC[C@H]2C)cc(C(F)(F)F)n1)c1ccccc1 260715404 NZRKTHNEIRDGHJ-KGLIPLIRSA-N 423.508 4.922 0 40 HJAB CCCOc1ccc(Cl)cc1C(=O)Nc1ccccc1I 408585657 GVVCAZWZZIITSW-UHFFFAOYSA-N 415.658 4.986 0 40 HJAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 408706542 BBNBZBRFQYTKJY-OAQYLSRUSA-N 416.496 4.517 0 40 HJAB Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccc(F)cc3)C2=O)c1 409229165 KQFRNMLBHVSTIM-HYARGMPZSA-N 416.452 4.806 0 40 HJAB CN1CCC2(CC1)C[C@H](NC(=O)c1cnc(-c3ccccc3)s1)c1ccccc1O2 518997590 CKCJURZBMOZUBH-IBGZPJMESA-N 419.550 4.528 0 40 HJAB Cc1ccc(-c2cncc(-c3nc(-c4cccc(CN5CCCC5=O)c4)no3)c2)cc1 545724096 KIYMVSPPVRNTFG-UHFFFAOYSA-N 410.477 4.896 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc3c(c2)OCO3)cc1 1505456498 VZORHDUCLBYRCC-RDPSFJRHSA-N 400.434 4.666 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)NC[C@H](OC)c2cccc(Cl)c2)cc1F 1684941901 XRFCARLDMMCSNS-ICSRJNTNSA-N 406.885 4.722 0 40 HJAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4ccccc4F)c3n2)cc1 1003117 HHNQTBUTYPDJIP-UHFFFAOYSA-N 410.399 4.711 0 40 HJAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(Cc1ccccc1)C3=O 2198121 NNMIHHWWZLHKBD-QFIPXVFZSA-N 411.457 4.861 0 40 HJAB COC(=O)c1c(N)n(-c2ccc(Oc3ccccc3)cc2)c2nc3ccccc3nc12 2326890 QDIAEDGLWGTZGO-UHFFFAOYSA-N 410.433 4.735 0 40 HJAB Cc1cc(C(F)F)nn1[C@H](C)c1nnc(Nc2ccn(Cc3ccccc3)n2)s1 2731303 VJUMWBYFMPMHGE-CYBMUJFWSA-N 415.473 4.578 0 40 HJAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)c1cccc(Br)c1 3253253 WLPBXCZAUFTHNO-UHFFFAOYSA-N 405.263 4.826 0 40 HJAB CCOC(=O)c1oc2ccccc2c1CSCC(=O)N1c2ccccc2C[C@H]1C 3355918 AAZXBWVUZSTCSQ-OAHLLOKOSA-N 409.507 4.821 0 40 HJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 3554047 WPWYLXAKZBJNQA-UHFFFAOYSA-N 403.406 4.728 0 40 HJAB Cc1cccc2nc(CSc3nnc(-c4ccccc4)o3)c(Br)n12 4150379 DSXMSVLNPCSILK-UHFFFAOYSA-N 401.289 4.748 0 40 HJAB COc1ccccc1CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 4269198 MOEBHALJDPADBD-UHFFFAOYSA-N 417.490 4.964 0 40 HJAB CC(C)OC(=O)c1cc(NC(=S)NC(=O)c2cc3ccccc3o2)ccc1Cl 4615654 MECIDTPBLVSRPW-UHFFFAOYSA-N 416.886 4.778 0 40 HJAB Cc1cc2c(c(OS(=O)(=O)c3ccc(Cl)cc3)c1)[C@@H]1CCCC[C@@H]1C(=O)O2 4746739 YOPJQBZFZYIWIZ-CVEARBPZSA-N 406.887 4.609 0 40 HJAB Cc1ccc(Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3c(C)c(C)sc32)cc1 4877779 OXVROBDPTWHOBM-UHFFFAOYSA-N 410.926 4.841 0 40 HJAB O=C(O)CSCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 5899257 GOTAKHNDELATSL-TYCKUFBKSA-N 420.534 4.627 0 40 HJAB CCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1 5980338 PEGBVRNBBQENGI-UHFFFAOYSA-N 417.962 4.856 0 40 HJAB O=C(OCc1nc2ccccc2c(=O)[nH]1)c1cc(-c2cccs2)nc2ccccc12 6147374 DBANBWZXNKJRCA-UHFFFAOYSA-N 413.458 4.557 0 40 HJAB CCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)c1 6752788 QHTKIXUTTFBWGV-HSZRJFAPSA-N 415.449 4.519 0 40 HJAB Cc1nc(-c2ccccc2)c(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)s1 7117195 UHJJXHGGTOTSJZ-UHFFFAOYSA-N 414.914 4.863 0 40 HJAB Cc1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 8071585 PYVODYYCQPCCST-UHFFFAOYSA-N 400.272 4.713 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)CCNC(=O)c2ccc(Cl)cc2)cc1 8074459 UZVHANOOPZIMDV-OAQYLSRUSA-N 414.933 4.612 0 40 HJAB Cc1ccnn1-c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 8093803 LDFBUFUGRBCTKL-GOSISDBHSA-N 402.523 4.810 0 40 HJAB CCC(=O)N(c1nnc(SCc2csc(Nc3ccccc3)n2)s1)C1CC1 9378759 CANHHMNDDIFOOP-UHFFFAOYSA-N 417.585 4.936 0 40 HJAB Cc1ccc(NC(=O)N[C@H](C)c2ccccn2)cc1NC(=O)N[C@@H](C)c1ccccn1 9979088 UZVYVWPMAMTIJX-SJORKVTESA-N 418.501 4.550 0 40 HJAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnnn1Cc1ccco1)c1ccccc1 11307254 NCTZWRPGAWTNBG-NRFANRHFSA-N 415.478 4.512 0 40 HJAB COc1ccc(CN2Cc3ccccc3OC3(CCC(CN(C)C)CC3)C2)cc1OC 12122615 JTHIXYZORROEAD-UHFFFAOYSA-N 424.585 4.589 0 40 HJAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1ccc4c(c1)OC1(CCCCC1)O4)(C3)C2 12364246 OWHKUDDXJAVMBG-ISVJADKWSA-N 424.541 4.532 0 40 HJAB COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@]32CCOC(C)(C)C2)c1 12660808 UFIMLKDNTIHZMN-HYBUGGRVSA-N 408.498 4.533 0 40 HJAB biogenic Cc1ccc(CSCCNC(=O)c2ccccc2NC(=O)c2cccs2)cc1 12783699 OKMLXNUJAFFZHJ-UHFFFAOYSA-N 410.564 4.972 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccccc1Cl 14068091 GKGUZALEIGIHFF-UHFFFAOYSA-N 414.918 4.552 0 40 HJAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(O)cc2)n2c(nc3ccccc32)N1 14607233 BNKOOKYNWCCBBV-QFIPXVFZSA-N 414.440 4.809 0 40 HJAB COc1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1Cc1ccccc1 16274117 KZXCCHLHHZYCRH-JOCHJYFZSA-N 418.518 4.728 0 40 HJAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)c(OC)c1OC 16490258 LTIOSYIHZOSQCK-KRWDZBQOSA-N 405.494 4.799 0 40 HJAB COc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1Cl 16955208 IZHWDRGCXZVZBT-UHFFFAOYSA-N 424.913 4.789 0 40 HJAB Cc1cc(C)n(-c2nc(C(=O)N[C@H](c3ccc(Cl)cc3)c3cccnc3)cs2)n1 19116453 QPKAVSTXEGOUPG-LJQANCHMSA-N 423.929 4.513 0 40 HJAB Cc1csc(N(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)c2ccccc2)n1 19201948 PUOHLHNGMFZLRS-UHFFFAOYSA-N 413.886 4.768 0 40 HJAB Clc1ccc(CNCc2c(Cl)nc3ccccc3c2N2CCOCC2)cc1 19375989 BCUZGSCXQYZSHN-UHFFFAOYSA-N 402.325 4.668 0 40 HJAB O=C(c1ccc2c(c1)ncn2C1CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 19714293 OYRPXTCGWBIGCW-HXUWFJFHSA-N 403.482 4.510 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(OC)cc2)sc2c1CCCC2 20043652 HPABSBFHRHDXNU-ZDUSSCGKSA-N 419.568 4.932 0 40 HJAB CCOc1ccc(CCNC(=O)c2cccnc2Nc2ccc(C)cc2)cc1OCC 22072000 YGCLHUNLOAHZHX-UHFFFAOYSA-N 419.525 4.904 0 40 HJAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3cccc(Br)c3)n2)C1 22293787 DQKQNFJFJHXCPR-CHWSQXEVSA-N 408.365 4.636 0 40 HJAB O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1-c1ncc(-c2ccccc2)o1 22836942 DUJKFZJHTOYXTG-SFHVURJKSA-N 412.445 4.578 0 40 HJAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)OCc1nc2ccccc2s1 23299031 YCGDNTKSEOODBW-UHFFFAOYSA-N 408.527 4.915 0 40 HJAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccccc1-c1ccc(Cn2cccn2)cc1 29997485 QEJKVPHPAFASSW-UHFFFAOYSA-N 423.520 4.846 0 40 HJAB Cc1cccc2c1N(C)C(=O)[C@@]21CC(O)=Nc2c1sc(C(=O)O)c2-c1ccccc1 32072853 DXPKNVSDGQQBQK-QHCPKHFHSA-N 418.474 4.676 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1Cl 32124657 JJRGYETVEYHYFL-UHFFFAOYSA-N 422.868 4.696 0 40 HJAB Cc1cc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)ccc1Br 36395920 QQRIJOLCFBBJIZ-UHFFFAOYSA-N 409.330 4.682 0 40 HJAB CCCCCCN(CCCCCC)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 36614645 GENOZNITPPIYPA-UHFFFAOYSA-N 408.608 4.965 0 40 HJAB Cc1cc(NCCCn2ccnc2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 40216677 WYXJOYAJQLFVAT-UHFFFAOYSA-N 418.398 4.561 0 40 HJAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1Cl 44939858 NQFHIWHLUQLQFH-UHFFFAOYSA-N 414.933 4.676 0 40 HJAB C[C@@H]1C[C@@H](C)CN(c2nnc(SC[C@@H]3CC3(Cl)Cl)n2Cc2ccco2)C1 48249452 IUPYGHVAQFQZGQ-MCIONIFRSA-N 415.390 4.688 0 40 HJAB COc1cccc(COC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c1 58564820 QQLNMBKTTVWWKA-UHFFFAOYSA-N 409.442 4.501 0 40 HJAB Cc1cccc(-c2noc(-c3sc4ncn(Cc5ccccc5)c(=O)c4c3C)n2)c1 67260268 UBCQXGHLIPDXPI-UHFFFAOYSA-N 414.490 4.840 0 40 HJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cc(C)cc(C)c3)oc12 67295835 OLEPKVXLABPDED-FLFQWRMESA-N 405.479 4.999 0 40 HJAB O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1cc(Cl)ccc1F 67299355 LNYSHQAVRVGUKF-DAFNUICNSA-N 412.804 4.686 0 40 HJAB CN(CCCC(=O)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1)c1ccccc1 72380417 UHPWXMJCHSUDPS-FQEVSTJZSA-N 420.532 4.838 0 40 HJAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2)C12CCCCC2 96344391 XQROBEBGAIZDJV-DEOSSOPVSA-N 418.581 4.944 0 40 HJAB O=C(CSc1cccc(Cl)c1)Nc1ccc(I)cc1 101106987 KWUABFRDKFQBGN-UHFFFAOYSA-N 403.672 4.675 0 40 HJAB COc1ccc(-c2csc(C3=C(O)CN(c4ccc(OC)cc4OC)C3=N)n2)cc1 102722683 PTTOSXFQMWYKFM-UHFFFAOYSA-N 423.494 4.602 0 40 HJAB CC(C)c1ccccc1NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 108056546 PAUAMFFLVCXZCK-NRFANRHFSA-N 412.530 4.859 0 40 HJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219382811 IVAOXDPQFDEQTI-SFHVURJKSA-N 413.905 4.823 0 40 HJAB O=C(CSCc1ccccc1F)Nc1ccccc1C(=O)NC1CCCCC1 222700677 LHPRISBWLNSCMG-UHFFFAOYSA-N 400.519 4.760 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 223537475 BQRTXSVLYRHFFA-OAQYLSRUSA-N 414.549 4.762 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(C)cc1 223779631 CFPFICHFOUNUOC-KRWDZBQOSA-N 418.990 4.684 0 40 HJAB Cc1ccc(CN(C(=O)COc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224756625 PMHQNMUYPJMENS-NRFANRHFSA-N 422.569 4.548 0 40 HJAB CC[C@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(OC)c(OC)c1 224779488 JKCVDXWUUDSYOH-SFHVURJKSA-N 421.559 4.574 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1nccs1 225008104 RUKQKPVXGXBVQT-UXHICEINSA-N 423.611 4.861 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 225051173 IUXAELSAQHKPDV-ROUUACIJSA-N 400.950 4.523 0 40 HJAB O=C(NCc1cccc2ccccc12)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225735543 XHHLBBHQNQZAHO-GOSISDBHSA-N 415.415 4.617 0 40 HJAB O=C(c1nccc2ccccc12)N1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 257233182 GODQPERYQPCORT-HSZRJFAPSA-N 413.452 4.650 0 40 HJAB CC(=O)c1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 408623857 SLBDAPVEBAEDNT-UHFFFAOYSA-N 404.491 4.595 0 40 HJAB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Br)c1OC(C)C 409022768 SCWXKRWUIULVHS-RIYZIHGNSA-N 414.321 4.690 0 40 HJAB COc1ccccc1C1=N/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)O1 409067384 QOFLQKKSRVJEPT-KGENOOAVSA-N 403.409 4.758 0 40 HJAB O=C(CCc1ccc(-c2ccccc2F)o1)NC[C@H]1CCN(c2ccc(F)cc2)C1 501462268 PWGQTDVRAHXRGX-QGZVFWFLSA-N 410.464 4.800 0 40 HJAB CC(C)(C)c1cccc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)c1 1659421074 FRHUTTGOYPSYDI-JOCHJYFZSA-N 402.376 4.756 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccco1 802773 AJLNRSCSIBXBRJ-UHFFFAOYSA-N 411.266 4.640 0 40 HJAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ncc(Cc2ccc(F)cc2)s1 848385 DLZIOTKLKOAGRP-UHFFFAOYSA-N 410.392 4.909 0 40 HJAB O=c1oc2c3c4c(cc2cc1-c1nnc(Nc2ccccc2)s1)CCCN4CCC3 856310 JSSHGZPEZITZBR-UHFFFAOYSA-N 416.506 4.754 0 40 HJAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)N4CCCc5ccccc54)c23)C1 873239 UDWMUBMKTYWLDR-AWEZNQCLSA-N 409.580 4.888 0 40 HJAB Cc1cc2nc(-c3ccc(SCC(=O)NCc4ccc(F)cc4)nc3)[nH]c2cc1C 1329720 HESUNNGGXYMCIB-UHFFFAOYSA-N 420.513 4.789 0 40 HJAB O=c1c2ccccc2nc2n1[C@@H](CSCc1cccc(C(F)(F)F)c1)CS2 1405493 RWPBRNPGEQOCMJ-AWEZNQCLSA-N 408.470 4.996 0 40 HJAB CN(C)CCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CCCC3 2283906 VTLSNSJTNQEWBQ-UHFFFAOYSA-N 407.543 4.742 0 40 HJAB O=C(NCc1ccc(Cl)cc1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 2768949 RCFZQGKPRKFBIV-UHFFFAOYSA-N 412.827 4.917 0 40 HJAB CCOc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 3645195 HLYLZYPGKWALCA-DYVFJYSZSA-N 420.391 4.787 0 40 HJAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(C(C)(C)C)cc2)C[S@](=O)C3)c1C 4224878 FDTLECHBEKHMNQ-SSEXGKCCSA-N 421.566 4.801 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc3c(C(=O)OC(C)C)c(C)oc3cc2C)cc1 4735823 HMBOCZCWYDTQLR-UHFFFAOYSA-N 401.484 4.724 0 40 HJAB CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 4837401 MAUPZZZEAKRODF-NGZCFLSTSA-N 406.861 4.787 0 40 HJAB C[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc(F)cc1 4871088 VOQSNSUTTQQIFN-HNNXBMFYSA-N 418.424 4.668 0 40 HJAB CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)c1 5862146 VTRBQKIRMCFQHS-UHFFFAOYSA-N 413.543 4.587 0 40 HJAB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC#N 5980259 FIUXMXLSVGLXLP-LDADJPATSA-N 414.870 4.882 0 40 HJAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C)cc1 6226060 VGLXCNHHIVHLBK-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB Cc1cc(C)n2nc(SCc3ccccc3C(=O)NCCC3=CCCCC3)nc2n1 6608435 YWHSUXMBUWKWLX-UHFFFAOYSA-N 421.570 4.654 0 40 HJAB O=C(CSc1ccccc1C(=O)NC1CCCC1)NC12CC3CC(CC(C3)C1)C2 7168437 QPMSIUBNRLNOQG-UHFFFAOYSA-N 412.599 4.536 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)COc1cccc(C)c1)CC2 7408693 RTJNLEHSVMIOIS-DEOSSOPVSA-N 423.534 4.627 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C)c1C 7644797 GGDJDNHBYKIOIR-ZDUSSCGKSA-N 416.934 4.647 0 40 HJAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(OCc2ccccc2)cc1 7752888 ORKWRUZBXOXCEJ-UHFFFAOYSA-N 405.479 4.948 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)o1 8187499 PUQTUAQMKSATCW-UONOGXRCSA-N 404.495 4.676 0 40 HJAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc2c(s1)CCCCC2 8342663 XKGNZMOLUQHIAW-UHFFFAOYSA-N 415.946 4.569 0 40 HJAB Cc1ccc(C)c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C)c(Cl)c2)c1 8433497 AWQRZJHANGNGCZ-UHFFFAOYSA-N 416.905 4.556 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 8490581 FOXZRBOROVFKMK-UHFFFAOYSA-N 404.510 4.965 0 40 HJAB Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)C[C@@H]3c2cccc(F)c2)n1 9164664 IQDJUACFRVWFNF-LJQANCHMSA-N 413.456 4.559 0 40 HJAB COc1ccc(SCCCC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 9474264 RWTWPQNRCCMWSI-UHFFFAOYSA-N 404.557 4.818 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2F)oc1N1CCCC1 12419750 LSPHDAPDVJKXFE-UHFFFAOYSA-N 406.866 4.567 0 40 HJAB Cc1cc(Br)ccc1NC(=O)COc1ccc(Oc2ccccn2)cc1 12521756 OHGYJNPTGYJXJP-UHFFFAOYSA-N 413.271 4.962 0 40 HJAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1)C1CC1 12585253 QPVKATCZLXJIIO-UHFFFAOYSA-N 418.824 4.508 0 40 HJAB Cc1cc(C(=O)N(C)Cc2ccccc2C(F)(F)F)c2nc3n(c2n1)CCCCC3 12772946 UYKCZSZTSWAIDD-UHFFFAOYSA-N 416.447 4.757 0 40 HJAB O=C(CCCSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(F)cc1 12810420 QQTUSIPAIOKMSP-UHFFFAOYSA-N 422.485 4.876 0 40 HJAB COc1cc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)on2)ccc1OC(F)F 12927214 UFVSHRUMASMIBG-UHFFFAOYSA-N 422.815 4.578 0 40 HJAB COc1ccc(-c2c(C(F)(F)F)oc3c4c(ccc3c2=O)OCN(C2CC2)C4)cc1 13691160 UBCVLAHLOJHAOZ-UHFFFAOYSA-N 417.383 4.802 0 40 HJAB biogenic CCOc1cc(Br)c(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1OC 14011482 JIPTXECTWDZTBM-CYANDVJASA-N 414.321 4.691 0 40 HJAB COC(=O)c1cccc(Nc2c(-c3ccc(O)c(OC)c3)nc3ccc(Cl)cn23)c1 15414421 KCVZRVYPEFOUFU-UHFFFAOYSA-N 423.856 4.899 0 40 HJAB CC(=O)c1cccc(-n2c3c(c(SCc4ccc(Cl)cc4)nc2=O)CCC3)c1 15840529 HBKLVBKVKRLJHG-UHFFFAOYSA-N 410.926 4.870 0 40 HJAB CCNc1nc(S[C@@H](C)C(=O)Nc2ccccc2OC(F)F)nc2ccccc12 16397701 YBJXVYXQAQXLJD-LBPRGKRZSA-N 418.469 4.782 0 40 HJAB O=C(Cc1csc(Nc2ccc(OC(F)(F)F)cc2)n1)NCc1cccs1 16850139 VPTKRQJYVNDECH-UHFFFAOYSA-N 413.446 4.706 0 40 HJAB CCCCOc1ccc(C(=O)Nc2ccc(I)cc2F)cc1 17089448 FOSOPFBNOPHKFL-UHFFFAOYSA-N 413.230 4.862 0 40 HJAB COC(=O)c1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)o2)cc1 18277051 WCDVSSFOMVGXQI-UHFFFAOYSA-N 406.463 4.577 0 40 HJAB CC(C)(C)CC(=O)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 19082698 FZMWBWUBUZNSFP-UHFFFAOYSA-N 419.504 4.742 0 40 HJAB O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)N[C@H]1CCOc2ccccc21 19316643 POACNHQGJCMGDN-NRFANRHFSA-N 421.880 4.590 0 40 HJAB CC[C@](O)(c1ccc(OCCC(C)C)cc1)[C@@H](CN1CCOCC1)c1ccccc1 20868867 ROHDAMDNCHTNMF-UIOOFZCWSA-N 411.586 4.825 0 40 HJAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1sc2cc(F)ccc2c1Cl 21540788 JZYFUJPUSLCAQI-CQSZACIVSA-N 424.950 4.559 0 40 HJAB Cc1ccc(-c2nsc(NC(=O)c3cc(=O)c4cc(Cl)c(C)cc4o3)n2)s1 21659737 HLHYOISUBOLMAK-UHFFFAOYSA-N 417.899 4.896 0 40 HJAB CC(C)c1ccc(S(=O)(=O)N(Cc2nc(-c3cccs3)no2)C(C)C)cc1 22257127 HEQKENGIECVZFP-UHFFFAOYSA-N 405.545 4.521 0 40 HJAB O=C(/C=C/c1ccc(Br)o1)N1CCC[C@H](c2nc3ccccc3o2)C1 27386258 PSJLUKQURRJZRD-FROQITRMSA-N 401.260 4.603 0 40 HJAB C[C@@H](NCc1cc(Br)c2c(c1)OCO2)c1ccccc1OC(F)F 28926280 WEXJILOSEHYGEG-SNVBAGLBSA-N 400.219 4.630 0 40 HJAB O=C(CCc1nc(-c2ccco2)no1)N[C@@H](c1ccc2c(c1)CCC2)c1cccs1 40052359 SRXNQNTZLADYEG-QFIPXVFZSA-N 419.506 4.718 0 40 HJAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40105919 UKNLEPBCYARPFA-JTQLQIEISA-N 406.718 4.589 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)Cc1cccc(Cl)c1 40112942 DZKWCUOEJPSWCE-ZDUSSCGKSA-N 415.946 4.993 0 40 HJAB O=C(Cc1csc(Cc2ccccc2)n1)Nc1cccc(C(=O)N2CCCCC2)c1 40155983 POFFMZIDKKQMMJ-UHFFFAOYSA-N 419.550 4.541 0 40 HJAB O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 44774345 HNABUJFAICMZBN-WOJBJXKFSA-N 403.551 4.695 0 40 HJAB CC(=O)c1cccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc23)c1 49005175 HJCYEKKVJAATSR-MRXNPFEDSA-N 402.498 4.899 0 40 HJAB CCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCc2sccc2C1 58306850 ZTMYAZMMBHTHCJ-QFIPXVFZSA-N 418.562 4.899 0 40 HJAB CCCc1nc(C(C)(C)NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)no1 65404240 JBJBDTJBWRQAOH-UHFFFAOYSA-N 404.923 4.773 0 40 HJAB C[C@@H](Nc1c(C(=O)N2CCOCC2)cnc2ccc(Cl)cc12)c1ccc(F)cc1 67288408 ZKAAMKJEDIBRCC-CQSZACIVSA-N 413.880 4.673 0 40 HJAB O=C(c1cccc(OCc2cccnc2)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 71803486 UVOVARBBCHHULQ-FQEVSTJZSA-N 412.493 4.557 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1cccc(F)c1 72330499 POCFLAXVMYQDQM-RDPSFJRHSA-N 421.491 4.743 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349607 KEALCWBBQKPXIG-HXUWFJFHSA-N 406.476 4.899 0 40 HJAB O=C(Nc1cccc(Oc2cccnn2)c1)c1cc(-c2ccco2)nn1-c1ccccc1 78879142 REXWXTGOKSUYME-UHFFFAOYSA-N 423.432 4.967 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2ccc(C34C[C@@H]5C[C@H](CC(O)(C5)C3)C4)cc2)cc1 100845982 GNQAYFUYCIMBJL-YJHQJKOQSA-N 403.522 4.930 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(Br)c(C)c1 218829175 OYLUVPOFRLWQFE-SFHVURJKSA-N 418.331 4.863 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(CC)cc1 223276012 LUVUJLSGLMZGAK-IBGZPJMESA-N 412.549 4.654 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 223359530 KDDHFRJLJSCZOZ-NRFANRHFSA-N 414.977 4.913 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCCC3CCCCCC3)c2)c1 223952026 SUVINQNVNPDSFU-UHFFFAOYSA-N 414.571 4.886 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 225526666 OJFZGOQRKPMUSG-XUZZJYLKSA-N 408.586 4.876 0 40 HJAB FC(F)(F)c1cc(N2Cc3ccccc3C2)nc(NC(=S)NC2CCCCC2)n1 226009389 YBZMXNVLAIKAOU-UHFFFAOYSA-N 421.492 4.635 0 40 HJAB O=C(Cc1ccc(O)cc1)N1CCCC[C@H]1c1ccc(Cc2cccc(F)c2)nc1 257280828 OMOVRUJQNVGIHD-DEOSSOPVSA-N 404.485 4.813 0 40 HJAB CC(=O)NCc1cc([C@H]2CCCN2Cc2ccccc2OCc2ccccc2)ccn1 257297920 RJIPKYROXBONLD-RUZDIDTESA-N 415.537 4.634 0 40 HJAB COc1ccccc1-c1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n[nH]1 408711582 XCBWJJMGYBLPLE-UHFFFAOYSA-N 409.298 4.518 0 40 HJAB CCN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)NC1=S 409005494 FEGDPEUZVMAZIC-MOSHPQCFSA-N 418.518 4.505 0 40 HJAB Cc1[nH]nc(O)c1C(c1ccc(-c2cc(Cl)ccc2Cl)o1)c1c(O)n[nH]c1C 409043885 BGHLBKUGSGRPLM-UHFFFAOYSA-N 419.268 4.908 0 40 HJAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccccc3Cl)c2)o1 409412709 ZPQSHMVRZYIBFI-UHFFFAOYSA-N 418.232 4.861 0 40 HJAB Cc1cccc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccco3)nc(C)n2)n1 585292409 LUYPWWOWFLZRBU-YVNCXZRQSA-N 403.486 4.592 0 40 HJAB Cc1ccc2oc(CN(Cc3ccco3)C(=O)c3ccc4nc(O)[nH]c4c3)cc2c1 606856267 XIOVVNPCXJYUSU-UHFFFAOYSA-N 401.422 4.759 0 40 HJAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CCC(F)(F)F)CCOCCO2 643572152 AGQVMDSWGJAMFD-UHFFFAOYSA-N 421.459 4.666 0 40 HJAB COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2cc(-c3ccc(C)o3)[nH]n2)C1 1136903788 MEFCXABFLWCZMI-HNNXBMFYSA-N 413.905 4.735 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1C 888568 SYJCGPDGKGXTEQ-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB O=C(NC[C@H]1CCC[C@H](CNC(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 1095598 HHMNNWQPOVHKQC-HOTGVXAUSA-N 419.352 4.960 0 40 HJAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1F 2230997 KHCASOMULYFKFR-UHFFFAOYSA-N 404.898 4.797 0 40 HJAB C[C@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)N1CCCc2ccccc21 2664968 NQGWKBJUJKSITA-KRWDZBQOSA-N 403.453 4.803 0 40 HJAB CSCC[C@H](NC(=O)c1ccccc1C)C(=O)Nc1cccc(C(F)(F)F)c1 3457648 AMNXMVNLDUDHNP-KRWDZBQOSA-N 410.461 4.504 0 40 HJAB CCCCn1c(SCc2cc(=O)oc3cc(C)ccc23)nc2ccccc2c1=O 3515482 ABMOIACJRSRNMB-UHFFFAOYSA-N 406.507 4.904 0 40 HJAB O=C(Nc1nc2c(s1)CCCC2)C(=O)c1c(-c2ccccc2)cc2ccccn12 4454815 PKKJUUUBNDOBPN-UHFFFAOYSA-N 401.491 4.763 0 40 HJAB Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c1 5375125 ZLBJCVOMSQERBC-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB Cc1cc(O)c(C(=O)[C@@H](C)SC(=S)N2CCCCC2)cc1Br 5538696 NCWIAZZWNKWJAS-LLVKDONJSA-N 402.379 4.538 0 40 HJAB CCC(CC)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc(Br)cc1 5642637 VGNMPKDLHTWXRG-OAHLLOKOSA-N 410.337 4.724 0 40 HJAB COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 5661199 ZBLBSAMYYGIXSG-PXNMLYILSA-N 409.294 4.720 0 40 HJAB CCCN(CC(=O)Nc1cccc(Cl)c1C)[C@H](C)C(=O)Nc1cccc(Cl)c1 6085379 GKMOZZIGDGBVRJ-OAHLLOKOSA-N 422.356 4.980 0 40 HJAB O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccncc3)cc2)cc1)c1ccncc1 6332838 LILGLRSRYAQGNU-UHFFFAOYSA-N 408.461 4.572 0 40 HJAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2cc3ccccc3cc2OC)cc1 6629874 YHORZVAAPYMLRM-UHFFFAOYSA-N 421.566 4.817 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCC[C@@H]5CCCC[C@H]54)c(=O)c23)cc1 7475319 HEOCTPVJVPZOJW-AZUAARDMSA-N 421.566 4.615 0 40 HJAB Cc1cc(C)cc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)c1 7939901 HNSOVUIZIDHKQE-UHFFFAOYSA-N 410.297 4.951 0 40 HJAB COC(=O)c1c(NC(=O)Cc2ccccc2)sc(C(=O)Nc2ccc(C)cc2)c1C 8926619 WEQJKGXSANRUKB-UHFFFAOYSA-N 422.506 4.585 0 40 HJAB COc1cccc(N/C(C)=C2\C(=O)N(c3ccccc3F)C(=O)c3ccccc32)c1 9422103 AGJJOKZURVMHJN-JCMHNJIXSA-N 402.425 4.864 0 40 HJAB CCc1nnc(NC(=O)Cc2sc(-c3cccnc3)nc2-c2ccc(C)cc2)s1 9884104 KXKFVDQAIRZVQD-UHFFFAOYSA-N 421.551 4.776 0 40 HJAB CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccco3)C[C@@H]21 12196512 NSHDOYBCZMSNMP-WMZHIEFXSA-N 418.449 4.707 0 40 HJAB COc1cccc2[nH]c(C(=O)N3CCc4[nH]c5c(Br)cccc5c4C3)cc12 12297061 ZODJUNDLYATQPR-UHFFFAOYSA-N 424.298 4.619 0 40 HJAB biogenic O=C(CSCc1ccc(Cl)cc1)Nc1ccc(Br)cc1C(=O)O 12374464 WXLLMRHXTHMFQQ-UHFFFAOYSA-N 414.708 4.673 0 40 HJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1 12484476 LAJZSVNELRPEBJ-CAOOACKPSA-N 422.506 4.538 0 40 HJAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)n2nc(-c3ccccc3)nc2N1 12584406 VDGWQAFUGPTCHX-HSZRJFAPSA-N 422.488 4.977 0 40 HJAB O=C(Nc1cc(-c2ccccc2)sc1C(=O)O)c1cc(Cl)c2c(c1)OCCO2 12601097 OTGRTFXQMZCCSW-UHFFFAOYSA-N 415.854 4.790 0 40 HJAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OC 12602276 UZACCYHZFFAMNT-BBVFFXRHSA-N 411.889 4.610 0 40 HJAB CCS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 12823289 LKDKGMJTVLRNQV-UHFFFAOYSA-N 416.502 4.948 0 40 HJAB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 12993465 JQPGLLDJADVOBC-GFCCVEGCSA-N 421.353 4.726 0 40 HJAB CC(C)Oc1ccc(CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 13669895 KUPGDWDHYUKFLG-UHFFFAOYSA-N 416.370 4.833 0 40 HJAB CCN(CC)c1nc(Nc2ccc(C)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 13940031 NOYUZYGAYJDAHD-UHFFFAOYSA-N 423.361 4.642 0 40 HJAB COc1ccc(-c2c(C)nn3c4c(cnc23)C(=O)C[C@@H](c2cc(F)cc(F)c2)C4)cc1 14163841 QLBGMFDEMUDUQH-INIZCTEOSA-N 419.431 4.904 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 15960812 BZJSKKHOLRJATF-UHFFFAOYSA-N 420.962 4.502 0 40 HJAB CSCC[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1nnc2ccccn12 15971762 LADQEAUDJWEBON-CYBMUJFWSA-N 416.959 4.822 0 40 HJAB Cc1ccccc1OCCn1cc(-c2cnn(CCOc3ccccc3C)c2)cn1 16046757 DRQXKHXKIPSJQU-UHFFFAOYSA-N 402.498 4.521 0 40 HJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)o2)cs1 16298344 DRVYIMKUFQPECT-UHFFFAOYSA-N 413.499 4.989 0 40 HJAB Cc1csc(NC(=O)CCc2csc(NC(=O)Nc3cccc(Cl)c3)n2)n1 16849165 BDDWVLVTWZXYRK-UHFFFAOYSA-N 421.935 4.777 0 40 HJAB O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccccc1I 17092094 PYXPFEJAIRYWQI-UHFFFAOYSA-N 420.294 4.529 0 40 HJAB Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 19572313 GCIJSWVAXSWEKW-UHFFFAOYSA-N 422.337 4.609 0 40 HJAB Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)CCn3cccn3)CC2)n1 19691583 NDXXPMAHLJRQDR-UHFFFAOYSA-N 422.960 4.627 0 40 HJAB Cc1nc([C@H]2CCCCN2Cc2ccncc2)ncc1C(=O)Nc1ccc(Cl)cc1 19754179 OFQPNFLFJYUSOW-OAQYLSRUSA-N 421.932 4.813 0 40 HJAB CC(C)NC(=O)c1cc([C@H]2CCN(Cc3ccnc4ccccc34)C2)nc2ccccc12 19762839 HFXIYMNIJCJWHQ-FQEVSTJZSA-N 424.548 4.911 0 40 HJAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1 19886514 GPTYBXPZSUEQSP-UHFFFAOYSA-N 412.536 4.852 0 40 HJAB COc1c2c(cc3c1[C@@H](CC(=O)c1cc(Cl)ccc1Cl)N(C)CC3)OCO2 20113077 DPAXTWIRFDWEOO-OAHLLOKOSA-N 408.281 4.533 0 40 HJAB biogenic COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)N2CCCCC2)cc1 21805355 OVAXPPILJCKOIN-QHCPKHFHSA-N 419.525 4.616 0 40 HJAB Cc1nc(C2(NC(=O)CSc3ccc(Br)cc3C)CCCCC2)no1 23508517 CYZIVLZUNSNNAK-UHFFFAOYSA-N 424.364 4.517 0 40 HJAB O[C@@]1(c2ccc(Br)cc2)CN(c2cccc(Cl)c2)C2=[N+]1CCCCC2 27525088 NDCDPNYUIRTFLH-HXUWFJFHSA-N 420.758 4.753 0 40 HJAB CCN1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)c(C)c2)CC1 29375124 XVYMJKAKRRDIAF-UHFFFAOYSA-N 413.565 4.985 0 40 HJAB Cc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4ccccc4F)c3)n2)cc1 33012344 SDXWQCYAMMUCDW-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB CCOc1ccc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)cc1OC 33262436 IMEMETRPYCEZJN-UHFFFAOYSA-N 420.494 4.893 0 40 HJAB Cc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccc(F)cc2)n1 33325015 PYJADXPMXGUCMM-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB O=C(Oc1ccccc1Cc1ccccc1)C1CCN(C(=O)c2ccsc2)CC1 40062636 OIPWVWVGQRJLOO-UHFFFAOYSA-N 405.519 4.797 0 40 HJAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1nnc([C@H]2CCCO2)s1 40267218 AQZPTOWBBSVAKS-LJQANCHMSA-N 404.495 4.650 0 40 HJAB CCOc1cc([C@@H]2SCC(O)=Nc3c2c(C)nn3C)ccc1OC1CCCC1 49550550 QTFDLBIWFGNMRD-FQEVSTJZSA-N 401.532 4.873 0 40 HJAB Cc1cc2cc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)cc3)ccc2[nH]1 52589195 TXJCCNCLQKOVGI-UHFFFAOYSA-N 404.491 4.703 0 40 HJAB CCc1noc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)n1 58597941 AYGNSNUCXFXGAM-UHFFFAOYSA-N 415.881 4.965 0 40 HJAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc3c(c2)OCO3)cc1 67297602 NUVNUGWUHAMSGJ-LCUIJRPUSA-N 414.417 4.655 0 40 HJAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 71926831 PYMDKULRPFMJET-ZDUSSCGKSA-N 408.479 4.786 0 40 HJAB COc1ccc(-c2csc(NC(=O)CCc3nnc(C(C)C)o3)n2)cc1Cl 72309604 XTQLGOMDTIVJFN-UHFFFAOYSA-N 406.895 4.550 0 40 HJAB CCCN(C(=O)CCc1nc(-c2ccco2)no1)[C@H]1C[C@H](OCC)C12CCCCC2 78874785 QRCKEXNIJDELPO-OALUTQOASA-N 415.534 4.629 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@H](OC(C)=O)[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 90760136 VYZPGMGWYUEREY-NJHCOQROSA-N 418.574 4.708 0 40 HJAB COCCCOC1(CSc2nnc(COc3cc(C)ccc3C)o2)CCCC1 96010377 SNHWCRHOXHEUTD-UHFFFAOYSA-N 406.548 4.723 0 40 HJAB COc1ccccc1C1(O)C[C@H]2CC[C@H](C1)N2Cc1c(C(C)C)[nH]c2ncccc12 100736604 QTZNSODDRJGBOH-QZTJIDSGSA-N 405.542 4.710 0 40 HJAB COCCn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2cc(F)ccc21 100872642 OLGHEVNKRDCUFS-LCUIJRPUSA-N 420.509 4.748 0 40 HJAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccc(-c2nnco2)cc1 103695476 YIEUAMOHKPEDFR-RCRDTURJSA-N 416.319 4.799 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 136529876 UIXCLRPXKJQDGR-SFTDATJTSA-N 402.494 4.519 0 40 HJAB CC(C)c1ccccc1O[C@H](C)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219300935 SPPHIBLQOWRCOO-OAHLLOKOSA-N 413.905 4.939 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 222504484 RYJQHGLHUAVEME-OAQYLSRUSA-N 418.940 4.662 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3c(C)cc(C)cc3C)c2)cc1 222545841 WJUXOGOEWAJMNW-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCOc1ccccc1 222599312 SEGAFTYRYIDKLL-URXFXBBRSA-N 424.585 4.610 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC)c(OC)c3)N21 222657213 GQYGGFCBSOBVGD-JEBQAFNWSA-N 403.935 4.732 0 40 HJAB CC(C)CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222844888 XOEWQKUCSSZHSP-IBGZPJMESA-N 414.977 4.852 0 40 HJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(N(C)C)cc1 222930318 ATAVJQFNWSSTSC-DHIUTWEWSA-N 419.598 4.567 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1Cc1ccco1 223331691 RSNGPVPCMOMIAG-HZPDHXFCSA-N 420.357 4.671 0 40 HJAB Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223356396 KBVGLQMBPINUDM-FCHUYYIVSA-N 418.497 4.777 0 40 HJAB COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(OC)c(C)c2C)cc1C(C)C 223383353 JYHCPXFJXPEZHF-KRWDZBQOSA-N 405.560 4.792 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1 223562695 GCPNNDJOWWGUOR-JOCHJYFZSA-N 412.599 4.644 0 40 HJAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3cccc(C)c3)c2)cc1 224113019 DZLQNMNOVQJLEP-UHFFFAOYSA-N 405.450 4.622 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3cc(C)ccc3C)ccc2C)cc1 224304759 HIUOYPIQYUOUED-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB O=C(NCCOc1ccc(F)cc1)c1ccc(OCCSc2ccccc2)cc1 224381761 MPRFMDZHBHAQNJ-UHFFFAOYSA-N 411.498 4.806 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1cccc(OC)c1 224589727 KXZPZKCZMZHBAN-UHFFFAOYSA-N 421.449 4.654 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 224702922 ULRUMEXOAVXDLQ-JOCHJYFZSA-N 414.977 4.771 0 40 HJAB CCOc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)n2)cc1 224818468 GCWFNUQXASAECD-KRWDZBQOSA-N 423.513 4.651 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 224945422 LMFQNSMMCUMMPW-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 225207308 QWTVGBVUVJYBDK-HZPDHXFCSA-N 421.368 4.868 0 40 HJAB CCOC(=O)c1cc(NC(=S)N[C@@H](CC)c2ccc(OC)cc2)ccc1Cl 225489830 RWKPDDRQJBBSBJ-SFHVURJKSA-N 406.935 4.963 0 40 HJAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408599488 HWNLKJPBYQUKBF-UHFFFAOYSA-N 416.521 4.519 0 40 HJAB CC(F)(F)C(=O)N[C@H]1CCN(c2nc3cc(Cl)cc(Cl)c3o2)C2(CCC2)C1 585137775 SMSGNAGSAMDUKI-NSHDSACASA-N 418.271 4.798 0 40 HJAB CCc1cccc(CC)c1S(=O)(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 605580862 KONVOUKLBAKXIR-KBPBESRZSA-N 417.415 4.563 0 40 HJAB CSc1ccccc1NC(=O)N1CCC[C@]2(CCCN(Cc3cccnc3)C2)C1 2056223394 JHWZSFBZOINGCZ-QHCPKHFHSA-N 410.587 4.714 0 40 HJAB CC[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3OC)c2C(=O)OC)C1 688780 OYEDKILHKXYRLM-NSHDSACASA-N 407.919 4.964 0 40 HJAB COc1ccc2cc(CN(C(=S)Nc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 879777 CCUFKYYYFTUDRX-UHFFFAOYSA-N 407.539 4.678 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(NC(=O)c2cccs2)c1 917749 IENGXNILPZLRON-UHFFFAOYSA-N 400.887 4.980 0 40 HJAB Cc1cccc(C(=O)Nc2ccc3nc(C)n(Cc4ccc(Cl)cc4)c(=O)c3c2)c1 1363139 NRZXMHRLQISHMJ-UHFFFAOYSA-N 417.896 4.967 0 40 HJAB O=C(NC1CCCCC1)C(=Cc1ccccc1C(F)(F)F)C(=O)NC1CCCCC1 3221092 ZGQCZDZBQFJYJZ-UHFFFAOYSA-N 422.491 4.987 0 40 HJAB CCOc1ccccc1Nc1nnc(SCC(=O)N(C)C2CCCCC2)s1 3470247 LQNADBRHTAWROU-UHFFFAOYSA-N 406.577 4.564 0 40 HJAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)C(c1ccccc1)c1ccccc1 3533682 UOVZVKNAQDKVQN-UHFFFAOYSA-N 420.940 4.637 0 40 HJAB CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccccc1 4082659 IAPQJTWDFSUNMC-YWLJCLKGSA-N 405.538 4.993 0 40 HJAB biogenic CC(C)(C)NC(=O)O[C@@H]1CS[C@H]2c3ccccc3C(=O)N2Cc2sccc21 4108895 PWDISRYZBGDCPW-QAPCUYQASA-N 402.541 4.715 0 40 HJAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 4562406 IOIAYKZIBJSLSA-UHFFFAOYSA-N 403.463 4.636 0 40 HJAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nncn1-c1ccccc1OC 4895049 BPGWTMSQRAOJNM-CVEARBPZSA-N 410.543 4.909 0 40 HJAB C[C@]1(N2CCCCC2)[C@@H](O)c2cc(Br)ccc2O[C@@H]1c1ccccc1 5534943 PDCAUFHRAKNQNX-HBMCJLEFSA-N 402.332 4.861 0 40 HJAB O=C(NC[C@@H]1CCCO1)c1cc2c([nH]c3ccccc32)c(-c2cccc(Cl)c2)n1 6112695 DMYSSGHGJCJXRJ-INIZCTEOSA-N 405.885 4.945 0 40 HJAB biogenic Cc1cc(OCC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)ccc1Cl 6202789 GHWOLWXFCIDPBE-INIZCTEOSA-N 416.930 4.849 0 40 HJAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCC(C)CC2)[C@H]1c1cccs1 6875760 HUKMFXZLYHHHSR-FCHUYYIVSA-N 410.583 4.943 0 40 HJAB CCCc1nnc(S/C(=C\c2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)O)[nH]1 7342290 GVJQVCDHVBHMDY-PDGQHHTCSA-N 410.543 4.999 0 40 HJAB c1csc(Cc2nnc(SCc3nc(-c4cccs4)no3)n2C2CC2)c1 7844364 SLFXEBLZCKWCLX-UHFFFAOYSA-N 401.542 4.669 0 40 HJAB O=C(Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)Nc1ccccc1 8130513 PNNJYTMUTLYVHX-UHFFFAOYSA-N 416.502 4.822 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCc1ccc(-c2ccccc2F)o1 8314284 HTMHSBXZDBSSSX-UHFFFAOYSA-N 417.484 4.922 0 40 HJAB O=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc(Br)s1 8987629 PIAAIJDONVYSAD-UHFFFAOYSA-N 408.100 4.786 0 40 HJAB COc1ccc(-c2nc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cs2)cc1 9797489 WEFVNBWEFYGCGL-LJQANCHMSA-N 422.506 4.567 0 40 HJAB O=c1nc(SCc2ccc(Cl)c(Cl)c2)c2c(n1C[C@H]1CCCO1)CCC2 10255432 LVPJJUVOBBDOPQ-CYBMUJFWSA-N 411.354 4.510 0 40 HJAB O=C(CCc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc(F)cc1 11835054 PAZUVHAWAYNMTC-UHFFFAOYSA-N 403.866 4.759 0 40 HJAB COc1cc(C(=O)Oc2ccc3c(Cc4ccccc4)noc3c2)cc(OC)c1OC 11854226 JYHOFYWMMUTKES-UHFFFAOYSA-N 419.433 4.664 0 40 HJAB O=C(CCc1ccc2c(c1)OCO2)Nc1ncc(Cc2cccc(Cl)c2)s1 12017742 DCLQRFHQNNLHSQ-UHFFFAOYSA-N 400.887 4.687 0 40 HJAB O=C1C(Cl)=C(Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1cccc(Cl)c1 12623886 BMLKIPBIPDRKNA-UHFFFAOYSA-N 415.198 4.790 0 40 HJAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 12894897 COYRLLJHOYTXQV-UHFFFAOYSA-N 418.493 4.949 0 40 HJAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cccnc1Sc1ccccc1 13012210 JKMRDIJXGPULCW-UHFFFAOYSA-N 403.551 4.627 0 40 HJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 14013215 UANVUMZRKKCMOB-JOCHJYFZSA-N 424.522 4.592 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C 14069820 BADGEZJKCGUKFB-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB COc1ccc(-c2nc(CC(=O)Nc3ccc(C#N)c(Cl)c3)cs2)cc1OC 14686120 FXLSZBMOEYLRSJ-UHFFFAOYSA-N 413.886 4.534 0 40 HJAB Cn1c(SCC(=O)c2ccc(Cl)c(Cl)c2Cl)nnc1-c1ccccn1 16755645 SYHPKWNFGSKFTD-UHFFFAOYSA-N 413.717 4.812 0 40 HJAB COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(CC2CCCCC2)C1 19568921 NUKXZYKENZPWCP-BWKNWUBXSA-N 421.585 4.854 0 40 HJAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)CC2CCCC2)cc1 19694362 MJPJDZIBEUXWHH-JOCHJYFZSA-N 422.573 4.852 0 40 HJAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2F)N2CCOCC2)c1C 19879507 LZWMNJOGKGXSIA-HXUWFJFHSA-N 414.502 4.771 0 40 HJAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(OC)cc4)nc3c2)cc1 20610070 ZHZRBBSMPRGIJT-MRXNPFEDSA-N 416.481 4.859 0 40 HJAB O=C(Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12)c1ccccc1Cl 21486909 FOFKDQFUZFHQOP-UHFFFAOYSA-N 417.292 4.593 0 40 HJAB CC(=O)Nc1cccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2C)c1 21533566 GFPYVIINZXWRHR-UHFFFAOYSA-N 414.918 4.523 0 40 HJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSCc1ccccc1C 22832168 QWNFHFROHSWPKC-UHFFFAOYSA-N 413.461 4.911 0 40 HJAB CN(C)[C@@H](CNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1 23424058 OZRAVTBGBWZXSG-QFIPXVFZSA-N 401.535 4.996 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)Cc2csc(-c3ccsc3)n2)cc1OC 24838018 YDSBKFPMYNWVFX-QGZVFWFLSA-N 414.552 4.795 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)C3(c4ccccc4)CCC3)n2)c(F)c1 24865954 JGWAVVBGKMKZAY-UHFFFAOYSA-N 409.486 4.968 0 40 HJAB COc1cc2c(cc1OC)CN(Cc1cc(=O)oc3cc(C)c(C(C)C)cc13)CC2 25436738 RMAUTKLOKUNFLF-UHFFFAOYSA-N 407.510 4.800 0 40 HJAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1ccc(OC(C)C)cc1 32074993 CTVRMETUIVLBRI-UHFFFAOYSA-N 403.438 4.938 0 40 HJAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N(C)C)no2)cc1 32622176 YRHANAZCDMBGGV-QFIPXVFZSA-N 405.542 4.980 0 40 HJAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 32740779 BUUXQLOYOKRVCN-SFHVURJKSA-N 406.507 4.867 0 40 HJAB COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)c(C)c1 36616108 RPXZROYBFZSLNF-UHFFFAOYSA-N 400.482 4.666 0 40 HJAB O=c1c(CN(CCCn2ccnc2)C[C@H]2CC=CCC2)coc2ccc(Cl)cc12 36740216 VGHVKCYAPNNSQC-SFHVURJKSA-N 411.933 4.892 0 40 HJAB Cc1ccc(N2C(=O)/C(=C/c3ccc(-n4ccnc4)cc3)c3ccccc3C2=O)cc1 37190254 RJFSQTZEMYKKTB-LFVJCYFKSA-N 405.457 4.908 0 40 HJAB O=C(C[C@@H]1C(=O)N(C2CCCCCC2)c2nc3ccccc3n21)Nc1ccccc1 39964078 AQQSLKLZURUGOZ-OAQYLSRUSA-N 402.498 4.676 0 40 HJAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 40132481 ORULNLLHJZTIHG-CYBMUJFWSA-N 419.422 4.808 0 40 HJAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc2cccnc12 58169897 QFSDMFKLSMVTMF-UHFFFAOYSA-N 422.532 4.809 0 40 HJAB Cc1ccc(Cl)cc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 67293379 RYOJXRGIKUYJGK-LVWGJNHUSA-N 405.841 4.980 0 40 HJAB O=C(c1ccc(Sc2ccccc2Cl)nn1)N1CC=C(c2cccnc2)CC1 95456625 OEIGSHDHJUXTOA-UHFFFAOYSA-N 408.914 4.606 0 40 HJAB O=S(=O)(CCc1ccccc1C(F)(F)F)CCc1ccccc1C(F)(F)F 95935240 SKVJEHDARJISDH-UHFFFAOYSA-N 410.379 4.924 0 40 HJAB CCCN1C(=O)[C@H](Cc2nc3ccccc3c(=O)n2-c2ccccc2)c2cc(C)ccc21 100632474 GVNYBCABIUDOPO-JOCHJYFZSA-N 423.516 4.777 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O)Nc1ccc(F)cc1F 107699933 DFPLPMPUNWVUMG-VXLYETTFSA-N 424.428 4.793 0 40 HJAB C[C@H](NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1)[C@H]1C[C@H]2CC[C@H]1C2 108858671 QLKRCHVENNKNSU-OGNFBWPZSA-N 403.950 4.636 0 40 HJAB CCn1c(SCC(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)nnc1-c1ccccc1C 195532254 XSUDHFAGEGLPRW-WLENULPWSA-N 412.603 4.697 0 40 HJAB COc1ccc(/C=C(/C(=O)N(C)Cc2ccc(OC)c(OC)c2)c2ccccc2)cc1 216258418 HDHVKOUVRWXEIY-XQNSMLJCSA-N 417.505 4.912 0 40 HJAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 219198549 VFIUHRZISQZQBE-UHFFFAOYSA-N 423.365 4.783 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219612278 JZMNLSPJLZYBMM-RTBURBONSA-N 403.906 4.925 0 40 HJAB COc1ccc(/C=C(/C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c2ccccc2)cc1 222657176 KCEAZBRIKZMDIR-RPNTZMPASA-N 415.489 4.884 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 222746735 VZAHTWBBDJHTTQ-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1cccnc1 222907779 LYXPKHFAEPVAAB-PKTZIBPZSA-N 419.598 4.572 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 223032291 YHQHCRCOBIHZHB-OAQYLSRUSA-N 424.585 4.831 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC[C@@H](C)c3ccccc3)ccc2C)cc1 224085131 DFOBTYZKWQZYOW-LJQANCHMSA-N 422.550 4.638 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccccc1C 224100371 CBPPPHQQNLXUOK-UHFFFAOYSA-N 405.450 4.606 0 40 HJAB Cc1ccc(CN(C(=O)CCc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 224202398 CRKZANZNKNMADS-IBGZPJMESA-N 414.977 4.771 0 40 HJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 224522798 NMCDYDGJVKCBQI-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 224549662 NXHNYOQLSPWDQM-JOCHJYFZSA-N 414.977 4.852 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Cl)c3nc(NN)sc3c2)c1 226313256 CUCWXOHVDPSJDY-UHFFFAOYSA-N 404.923 4.685 0 40 HJAB O=C(C(=O)N1CCCC1)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 408566336 FJSMKNSZCMURPC-UHFFFAOYSA-N 401.293 4.802 0 40 HJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)cc3)[C@](O)(C(F)(F)F)[C@H]2C1 409097548 OCRKKJGLKSIYKH-UVBSCNOISA-N 402.844 4.865 0 40 HJAB CCN1C(=O)S[C@@H](Cc2ccccc2OCc2ccc(Br)cc2)C1=O 409162401 VCEUHRDOKFXIKE-KRWDZBQOSA-N 420.328 4.655 0 40 HJAB COc1ccc(CN2CCC[C@H](c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)cc1 585289454 GVMPUAYGMGQJAJ-INIZCTEOSA-N 418.419 4.539 0 40 HJAB COc1ccc(OC)c(NC(=O)C[C@@]2(C)NN=C(c3cccc4ccccc34)S2)c1 670419877 XIHJVRGSUQWYHG-QHCPKHFHSA-N 421.522 4.600 0 40 HJAB O=C1[C@@H](CC[C@@H](O)c2ccc(F)cc2)[C@H](c2ccc(O)cc2)N1c1ccc(F)cc1 592281 OLNTVTPDXPETLC-ZRBLBEILSA-N 409.432 4.888 0 40 HJAB in-vitro COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@H](C(=O)OC)[C@H]1c1ccc(C)cc1 626797 UHKVQSSIPLSBFK-FCHUYYIVSA-N 405.494 4.675 0 40 HJAB CCc1cc(OC)c(OC)cc1[C@@H](CC)NC(=O)c1cccc(Br)c1 668013 FOHFGWGIAOLHBY-QGZVFWFLSA-N 406.320 4.910 0 40 HJAB COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 855128 FSZOBUYQZDPYNN-JOCHJYFZSA-N 411.548 4.799 0 40 HJAB C[C@@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)Nc1ccccc1 873434 RUMXTRTXVFLZPR-LLVKDONJSA-N 404.289 4.618 0 40 HJAB COC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc23)cc1 996624 XTXILPWIXAOYHU-UHFFFAOYSA-N 412.445 4.949 0 40 HJAB C[C@H]1CC[C@H](C)N(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)C1 999611 SJUIOMIHNPPKAB-KMCQBPLKSA-N 406.452 4.804 0 40 HJAB Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)cc1 1031243 SEMUCWLHHNXURP-QHCPKHFHSA-N 413.477 4.815 0 40 HJAB biogenic,in-vitro O=C(c1ccc(Cl)cc1)c1nn(-c2ccccc2Cl)c(=O)cc1C(F)(F)F 1389630 YDQDITMUHIWTDH-UHFFFAOYSA-N 413.182 4.789 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)no1 1389906 CMOXWDDZGQJGKH-MRXNPFEDSA-N 424.309 4.569 0 40 HJAB C[C@H](NC(=O)C(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 2258858 ZJWXXRKVVWUDSC-PMACEKPBSA-N 400.522 4.600 0 40 HJAB Cc1ccc(C)c(NC(=O)COc2cccc3c2CCN(Cc2ccccc2)C3=O)c1 2716348 PKLUYIRYKAPVEB-UHFFFAOYSA-N 414.505 4.519 0 40 HJAB CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)cc1 2925009 AMANLTXLDUMVKS-UHFFFAOYSA-N 405.932 4.988 0 40 HJAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)Nc1cccc(Cl)c1Cl 3302593 ARTRCICAWSZEQB-UHFFFAOYSA-N 408.068 4.678 0 40 HJAB COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccccc2C)c2ccc(Cl)cc2)cc1 4616803 NFSCSYKKXASGQF-OAQYLSRUSA-N 408.885 4.767 0 40 HJAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)Nc1ccccc1Cl 4986572 FTSNMSHWDITKEM-UHFFFAOYSA-N 403.869 4.836 0 40 HJAB Cc1cc(NC(=O)C2(c3cccc(F)c3)CCCC2)n(-c2nc3ccccc3[nH]2)n1 5695877 CXTDHZDUEURYNF-UHFFFAOYSA-N 403.461 4.647 0 40 HJAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OC 6356087 ISNICHLPBDQZAQ-AEOXGOBCSA-N 414.303 4.563 0 40 HJAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)c1 6386526 GDJUSKHZJUSCSK-UHFFFAOYSA-N 403.935 4.904 0 40 HJAB O=C(C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccccc1)NC1CCCCCCC1 6586284 JTRVOHDTOFLPDF-JOCHJYFZSA-N 406.526 4.743 0 40 HJAB CCCCN(C)c1nc2c(-c3cccc(Br)c3)nnn2c2ccccc12 6817615 FLDVLVJACFAGNN-UHFFFAOYSA-N 410.319 4.943 0 40 HJAB C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)NC1CCCCCC1 7201916 GGGHAHWWLUEUIV-MRXNPFEDSA-N 410.543 4.847 0 40 HJAB Cc1cc(C(=O)CSc2nnc(NC3CC3)s2)c(C)n1Cc1ccc(F)cc1 8038785 GWQQNEAVCYNZFU-UHFFFAOYSA-N 416.547 4.693 0 40 HJAB CCOC(=O)Nc1nc(C)c(-c2nc3ccccc3c(=O)n2-c2cccc(C)c2)s1 8715542 HNSOCTCEZHBIFV-UHFFFAOYSA-N 420.494 4.694 0 40 HJAB O=C(Nc1ccc(F)cc1)Nc1nc(C(=O)NCCc2ccc(Cl)cc2)cs1 9320234 GVQJQMGHCYRBJO-UHFFFAOYSA-N 418.881 4.552 0 40 HJAB CCOc1cc(CNC2CCCCCC2)ccc1Oc1nnnn1-c1ccccc1 9356196 FVXDKGKCWAKVRA-UHFFFAOYSA-N 407.518 4.666 0 40 HJAB O=C(COc1ccc(Cl)cc1)Nc1c(-c2ccc(F)cc2)nc2sccn12 9865396 AKLCVGHBBUENKY-UHFFFAOYSA-N 401.850 4.873 0 40 HJAB COc1ccccc1-n1cnn(CN(C)Cc2cccc(Cl)c2Cl)c1=S 12521828 UXLQHDDLABWQOB-UHFFFAOYSA-N 409.342 4.808 0 40 HJAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCC[C@H]1c1nc2ccccc2s1 12589144 HNWYCAOZORVGKZ-SJFMBGHLSA-N 400.507 4.859 0 40 HJAB CCOc1c(Cl)cc(/C=C/C(=O)NCc2ccc(OC(F)F)cc2)cc1OC 12919727 VPGWMYHBRBKONB-RMKNXTFCSA-N 411.832 4.678 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12977706 APYXEJPHKUQZRJ-SXYIGIQMSA-N 400.950 4.794 0 40 HJAB Cc1cc(C(=O)COc2ccc3c(=O)c(Oc4ccc(F)cc4)coc3c2)c(C)n1C 14180499 WYPSLHJWJCXUGU-UHFFFAOYSA-N 421.424 4.941 0 40 HJAB Cc1ccccc1-c1nn(CN(Cc2ccccc2)CC(F)(F)F)c(=S)n1C 14223042 DGVIHEFVRMKPLP-UHFFFAOYSA-N 406.477 4.949 0 40 HJAB CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1c(C)cccc1C 16842291 KILYQEICHRDCLN-UHFFFAOYSA-N 409.486 4.568 0 40 HJAB CC(=O)N1CCc2c(sc(NC(=O)c3ccco3)c2-c2nc3ccccc3s2)C1 16890394 VRIIVHZGDRLRMW-UHFFFAOYSA-N 423.519 4.775 0 40 HJAB COc1cc2sc(NC(=O)c3c(F)c(F)c(OC)c(F)c3F)nc2cc1Cl 17092435 UKUYSKSTSNHOIN-UHFFFAOYSA-N 420.771 4.776 0 40 HJAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)ccc12 17963063 DHOJOHVIDLVQGP-GFCCVEGCSA-N 406.265 4.664 0 40 HJAB CCC(=O)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19498753 BQJLMYCPFHERBF-QGZVFWFLSA-N 405.477 4.537 0 40 HJAB CCC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCC(Cc2ccccc2)CC1 20098285 BBOGMAUAIWZMEI-OAQYLSRUSA-N 409.603 4.924 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 20151621 IIBYCLJPHBGKSI-UHFFFAOYSA-N 414.914 4.782 0 40 HJAB O=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2ccc(F)cc2F)cc1 20523398 PSTMMXGDGVBGPU-UHFFFAOYSA-N 419.478 4.575 0 40 HJAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccccc1Br 21547832 TXHRDQBQRYTSPK-UHFFFAOYSA-N 424.707 4.883 0 40 HJAB COc1ccc2nc(-n3nc(C)cc3NC(=O)c3ccc4c(c3)CCCC4)sc2c1 21684704 WRUYYXGKIFBORN-UHFFFAOYSA-N 418.522 4.930 0 40 HJAB CCC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3cccc(C)c3)N2C1=O 21936330 PVVDJYUKFFFNRS-KXBFYZLASA-N 420.538 4.514 0 40 HJAB Cc1nn2c(nc(Sc3nnc(-c4ccoc4C)n3C)c3ccccc32)c1Cl 23200085 HDWLIDZLSKOPPJ-UHFFFAOYSA-N 410.890 4.692 0 40 HJAB COc1ccc(CN(C(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)C2CC2)cc1 23961602 DFZXAKLIMRWJLL-UHFFFAOYSA-N 422.554 4.506 0 40 HJAB O=C(COC(=O)c1ccccc1Cl)Nc1cccc(-c2cnc3ccccc3n2)c1 24522796 PBPGCYLQUXQCSE-UHFFFAOYSA-N 417.852 4.746 0 40 HJAB O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1C[C@H](O)c1ccccc1 24990517 LUJZBAOBXFSXMV-FQEVSTJZSA-N 421.294 4.560 0 40 HJAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)Nc1ccc2c(c1)CCC2 27936375 JCRFRPRDJJQTHH-SNVBAGLBSA-N 416.241 4.661 0 40 HJAB O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 32623682 VHSKZHVLAICCIS-UHFFFAOYSA-N 407.376 4.699 0 40 HJAB C[C@@H]1CCc2nc(NC(=O)c3nccnc3-c3nc4ccccc4s3)sc2C1 32744604 PSIHOOPRPXUADC-LLVKDONJSA-N 407.524 4.587 0 40 HJAB C[C@@H](NC(=O)c1ccc(NC(=O)c2ccccn2)cc1)C12CC3CC(CC(C3)C1)C2 32932298 AKGNGIJAYXSNLA-ASXFNGKXSA-N 403.526 4.669 0 40 HJAB CCOc1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c3oc3ccccc34)C2)cc1 33290466 GKOIPXKCPGJBSG-INIZCTEOSA-N 416.481 4.630 0 40 HJAB CCOc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccccc3)no2)cc1 33324946 SPJXQGWOKJUVOI-UHFFFAOYSA-N 415.449 4.820 0 40 HJAB COc1ccc(C(=O)N[C@H](CCSC)c2nc(-c3ccc(Cl)cc3)no2)cc1 41154658 YBWXCKRXTIMIRF-QGZVFWFLSA-N 417.918 4.623 0 40 HJAB O=C(NCc1ccccc1OC(F)F)Nc1cccc(NC(=O)c2cccs2)c1 43980698 XGLKUUWRAWPDFN-UHFFFAOYSA-N 417.437 4.924 0 40 HJAB CC(C)[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)N(C)c1ccccc1 48235010 QOAVQKADLCZASQ-FQEVSTJZSA-N 417.538 4.595 0 40 HJAB CC(=O)c1cccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc23)c1 49005173 HJCYEKKVJAATSR-INIZCTEOSA-N 402.498 4.899 0 40 HJAB COc1ccc(Nc2c(C(=O)N3CCC[C@@H](C)C3)cnc3nc(C)ccc23)cc1OC 49005350 OGWABPNVUZJJRN-OAHLLOKOSA-N 420.513 4.571 0 40 HJAB Cc1cc(=O)oc2cc(NC(=O)N(C)[C@@H](c3cccc(F)c3)c3ccccn3)ccc12 58363693 OYYQTWWAYCCLOB-QHCPKHFHSA-N 417.440 4.889 0 40 HJAB O=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2c[nH]c3ncccc23)CC1 65810016 WZAABNOBWOOLOS-UHFFFAOYSA-N 402.281 4.605 0 40 HJAB CC(=O)Nc1cc(NC(=O)c2c(-n3cccc3)sc3c2CCCC3)c(F)cc1F 95377694 ROKCNZFXWVULMB-UHFFFAOYSA-N 415.465 4.907 0 40 HJAB CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220733937 BUKAOJOXVGHWJC-LJQANCHMSA-N 422.978 4.757 0 40 HJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 223133305 DOISAIBROOLCJY-GOSISDBHSA-N 406.526 4.598 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 223695559 KNWAKBHFLJTBBR-IQJJTXKVSA-N 402.494 4.853 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC3=CCCCC3)ccc2Cl)cc1 223960311 ZYYFEXZSRPCHRR-UHFFFAOYSA-N 418.946 4.679 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F 224241430 WOCAFQGZWNAQSK-HSZRJFAPSA-N 410.533 4.543 0 40 HJAB Cc1c(Cl)cccc1N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O 224773341 VKFJJECDLQWLQQ-UHFFFAOYSA-N 417.015 4.526 0 40 HJAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)ccc1OC 225768015 JPZDRQVIYMXMHM-UHFFFAOYSA-N 411.498 4.721 0 40 HJAB Cc1ccc(Nc2nc3ccc(S(=O)(=O)N4CCCCC4)cc3o2)cc1Cl 256055802 URTQZEZOOQAHNT-UHFFFAOYSA-N 405.907 4.708 0 40 HJAB CCN(CC)C(=O)c1cnc(C(C)C)nc1[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 257278872 OEAXYFYWSSXBTI-IYARVYRRSA-N 416.610 4.518 0 40 HJAB CCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1Cl 408587951 VCAITRUHAVVDQX-UHFFFAOYSA-N 401.915 4.807 0 40 HJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)S2)cc1 408783212 LEDPXYXHEKMVHI-BXDIUNCMSA-N 420.490 4.807 0 40 HJAB COc1ccccc1NC(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408977361 IMLBEDLQLGNZTJ-UHFFFAOYSA-N 409.449 4.881 0 40 HJAB C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCC[C@@H](c2ccnc(N)n2)C1 584279662 YTPZIECAPIHXPB-QWHCGFSZSA-N 418.328 4.961 0 40 HJAB O[C@]1(COc2ccc(Cl)cc2)COCCN([C@H]2CC[C@H](c3ccccc3)CC2)C1 585282011 FMJNWMLOUWFYQV-SSPYTLHUSA-N 415.961 4.509 0 40 HJAB Cc1ccccc1[C@H]1CC(=O)c2c(nc3c(cnn3-c3cc(F)cc(F)c3)c2N)C1 618256960 PBGAXSNOIZDDNR-CYBMUJFWSA-N 404.420 4.502 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918167 VJXSLHSWYPJELF-GFCCVEGCSA-N 412.371 4.600 0 40 HJAB Cc1ccc(S(=O)(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C2CCCC2)cc1 923275 FGCXUHOLQRLOCI-UHFFFAOYSA-N 424.566 4.587 0 40 HJAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)Nc1ccc2c(c1)OCO2 948787 KHWFVEXUHFTDBB-UHFFFAOYSA-N 421.503 4.818 0 40 HJAB OCc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 1098801 OAQWIPWJKVCYTI-UHFFFAOYSA-N 406.501 4.936 0 40 HJAB COC(=O)c1c(NC(=O)COc2ccccc2C(C)(C)C)sc2c1CCCC2 2592599 VWRJTJLIFAOXIW-UHFFFAOYSA-N 401.528 4.729 0 40 HJAB CN(C)c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 3175400 PLZPXRCBVDXIBF-UHFFFAOYSA-N 400.457 4.997 0 40 HJAB Cc1ccc(S(=O)(=O)/N=[S@](/C[C@@H]2CC2(Cl)Cl)c2ccccc2)cc1 3652323 LRSPENWZCIZCJT-PSLXWICFSA-N 402.368 4.739 0 40 HJAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OP(=O)(N5CC5)N5CC5)CC[C@@]43C)[C@@H]1CCC2=O 4025589 XSVDHLSLBYJBSG-IYDLXWBISA-N 418.518 4.643 0 40 HJAB biogenic Cc1oc(C(C)(C)C)cc1C(=O)NCCCNC(=O)c1cc(C(C)(C)C)oc1C 4570969 PTMCOJDILWLALT-UHFFFAOYSA-N 402.535 4.634 0 40 HJAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)Nc1ccc(F)cc1 4815596 OTFBZUCOLRSKDM-XMMPIXPASA-N 413.452 4.799 0 40 HJAB Cc1oc(C(=O)N2CCC[C@@H]2C(=O)O)cc1COc1ccc2oc3ccccc3c2c1 5126755 PJYHODZLPSZAGQ-LJQANCHMSA-N 419.433 4.756 0 40 HJAB C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 5333556 HEHCEWYMVJDOCE-MRXNPFEDSA-N 424.545 4.649 0 40 HJAB CC(=O)N1CCC2(CC1)Oc1c(C)cccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 5478476 QOGKGRMVEJTAOK-OAQYLSRUSA-N 409.917 4.531 0 40 HJAB CC(C)(C)c1ccc(S(=O)(=O)c2cc3cc(C(C)(C)C)cc(O)c3oc2=O)cc1 6736741 ZZXMJENNLQJHBR-UHFFFAOYSA-N 414.523 4.926 0 40 HJAB CC1CCN(c2ccc(NC(=O)CN(Cc3ccco3)Cc3ccco3)cc2)CC1 7356646 UDABITWDEKKZID-UHFFFAOYSA-N 407.514 4.750 0 40 HJAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1F 8023044 BAZFFWJLHBVZSE-ZVQQDINOSA-N 423.484 4.619 0 40 HJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@H]1COc2ccc(Cl)cc2C1 8039881 YHWRBLIFNWRYFG-QGZVFWFLSA-N 422.916 4.515 0 40 HJAB COc1ccc(-c2nnc(S[C@H](C)C(=O)c3cccc(Cl)c3)o2)c(OC)c1 8265413 TUAQDLJAOHSVCN-LLVKDONJSA-N 404.875 4.771 0 40 HJAB Oc1cccc(C2=NN(c3nc(-c4ccc(F)cc4)cs3)[C@@](O)(C(F)(F)F)C2)c1 8711556 GLAPRZBFTOWGKB-SFHVURJKSA-N 423.391 4.520 0 40 HJAB CC(C)[C@H](NCC(=O)Nc1ccc2ccccc2c1)c1ccc2c(c1)OCCCO2 8734764 LDUPWEVKSUKQFU-VWLOTQADSA-N 404.510 4.927 0 40 HJAB Cn1/c(=N\C(=O)CCSc2ccccc2)sc2cc(Br)ccc21 11667275 IFEFTSWPNJJEKH-HTXNQAPBSA-N 407.358 4.612 0 40 HJAB COc1ccccc1OCCCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 11667394 ITHWFIZDIGFVSK-QGZVFWFLSA-N 419.481 4.598 0 40 HJAB CCOP(=O)(OCC)c1nc(/C=C/c2ccccc2)oc1NCc1ccco1 12062866 LEXOSBBUFTWNHA-OUKQBFOZSA-N 402.387 4.942 0 40 HJAB CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 12658723 ZXQPFGVRKHFTFV-MJKYUXSRSA-N 417.546 4.728 0 40 HJAB biogenic CCCCc1ccc(CC(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1 12916082 RRMWPLQXGVNYDN-HSZRJFAPSA-N 406.570 4.676 0 40 HJAB O=C(c1ccc(Cl)cc1F)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 13003842 ZKCWQKXEGDTKKV-UHFFFAOYSA-N 404.272 4.643 0 40 HJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1cc(C(F)(F)F)ccc1Cl 14152496 YHSUALQJPYZPSK-UHFFFAOYSA-N 412.824 4.875 0 40 HJAB Cc1ccccc1Cn1nc(C)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1C 14222428 HQBNREJYGDTMOJ-UHFFFAOYSA-N 424.353 4.964 0 40 HJAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 17286829 PAPYNNLLKIXSLH-UHFFFAOYSA-N 414.571 4.729 0 40 HJAB Cc1ccc(O)c(-c2n[nH]c3c2[C@H](c2ccccc2F)N(CCCOC(C)C)C3=O)c1 21782821 OYAIKNCEYBJSBG-QHCPKHFHSA-N 423.488 4.590 0 40 HJAB Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCCC2)cc1 21805393 KRRVXFCAUUPPEZ-NRFANRHFSA-N 409.917 4.870 0 40 HJAB CCN1CCN(c2ccc(NC(=O)c3csc(-c4ccccc4)n3)c(C)c2)CC1 24928264 YXRPQLAJNXICIH-UHFFFAOYSA-N 406.555 4.513 0 40 HJAB Oc1nc(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)nc2cc(Cl)ccc12 27574330 QVAXJVWMRXHRNX-UHFFFAOYSA-N 411.889 4.662 0 40 HJAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)/C=C/c1ccccc1 27921670 VWEQKCLNICSSTM-JLHYYAGUSA-N 410.315 4.963 0 40 HJAB O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC[C@@H]1c1nnc2n1CCCCC2 29249975 KQDUITBHXOAIIV-QGZVFWFLSA-N 420.538 4.603 0 40 HJAB Cc1cc(=O)oc2cc(OCc3nnc(-c4ccc(Br)s4)o3)ccc12 31680275 HCYSMMIFWDEQCZ-UHFFFAOYSA-N 419.256 4.554 0 40 HJAB COc1ccc(-c2nn3c(c2C)N=C(O)C[C@H]3C(=O)Nc2cccc(Cl)c2)cc1 32071259 AGNJWKPJXPIAPZ-KRWDZBQOSA-N 410.861 4.692 0 40 HJAB O=C1CCc2cc(C(=O)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)ccc2N1 32836609 NRUHMWOFLKUFNR-OAQYLSRUSA-N 409.489 4.615 0 40 HJAB C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 32908317 RQSBZQIUDNJZTA-LRDDRELGSA-N 411.354 4.927 0 40 HJAB COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 33570573 YCPROLJDXVMZKK-QZTJIDSGSA-N 418.493 4.592 0 40 HJAB Cc1ccc(CSc2nnc([C@@H](C)NC(=O)c3ccccc3Cl)n2C)cc1 33794437 XIVBNGKVHJSKDY-CQSZACIVSA-N 400.935 4.560 0 40 HJAB CN(Cc1ccc(Br)cc1)C(=O)c1cc(Br)ccc1F 35903320 BSMHRAHKOQKGGP-UHFFFAOYSA-N 401.073 4.623 0 40 HJAB Cc1cccc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)n1 40144009 ZWOWWJYCWOIZPX-UHFFFAOYSA-N 402.223 4.731 0 40 HJAB Cc1cc(=O)n(CC(=O)Nc2ccc(C(C)C)cc2)c(Nc2ccc(F)c(C)c2)n1 57507655 CYTKPLMSJXQALJ-UHFFFAOYSA-N 408.477 4.505 0 40 HJAB Cc1oc(-c2ccccc2)nc1CCNC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 65608734 RYOAQQMBGFZKMP-UHFFFAOYSA-N 406.482 4.679 0 40 HJAB Cc1c(NC(=O)c2cc(Cc3ccccc3)ccc2O)cccc1N1CCOC1=O 72304820 VANHOLJXSHNIGR-UHFFFAOYSA-N 402.450 4.500 0 40 HJAB COc1cccc(-c2nccc([C@@H]3CCCN3C(=O)c3ccc4ncccc4c3)n2)c1 72354380 RMNOXDATKLGIAC-QHCPKHFHSA-N 410.477 4.678 0 40 HJAB O=C(Nc1ccccc1SCc1ccsc1)C(=O)N1CCC[C@@H]2CCC[C@@H]21 78948019 IQKQPURULIHEKS-WMZOPIPTSA-N 400.569 4.770 0 40 HJAB O=S(=O)(N=[S@](=O)(c1ccccc1)[C@H](F)c1ccc(F)cc1)c1ccccc1 100259012 IHWFQFUWDRMVGN-SIBVEZHUSA-N 407.463 4.710 0 40 HJAB Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1 101136942 AFZQLWRVIQBPGG-FKBYEOEOSA-N 418.880 4.700 0 40 HJAB C[C@H]1CN(Cc2ccc3oc(-c4ccccc4Br)nc3c2)C[C@@H](C)O1 216827660 YDVJMLRUIYNJNU-OKILXGFUSA-N 401.304 4.867 0 40 HJAB COc1ccc(CN(C)C(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 218878586 XOOKLPZUMQXDLK-UHFFFAOYSA-N 420.347 4.793 0 40 HJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(CN2CCC(C)CC2)cc1 219237006 GADKQQAMNSOXHG-UHFFFAOYSA-N 424.570 4.692 0 40 HJAB CCc1cccc(CC)c1NC(=O)[C@H](CC)N(c1cc(C)ccc1C)S(C)(=O)=O 220542143 JSINUHNXRXVDBW-FQEVSTJZSA-N 416.587 4.612 0 40 HJAB Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 222850486 GAWKFDYRGULRAY-NHCUHLMSSA-N 421.522 4.729 0 40 HJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccc(OC)c(OC)c1 222937041 COAWJLXKFLSCIQ-NRFANRHFSA-N 413.558 4.908 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 223037714 LUNDWQZEKRDXNR-IBGZPJMESA-N 414.977 4.915 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 223605420 QIMLWPLFUBNSMK-HSZRJFAPSA-N 424.585 4.913 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C)cc1 223657238 KKKXRRKINNCZKK-QHCPKHFHSA-N 424.585 4.658 0 40 HJAB COc1cccc(OCc2cc(C(=O)Nc3ccc(OC)c(OC)c3)ccc2OC)c1 224255304 QGSSTMDIRAKHQW-UHFFFAOYSA-N 423.465 4.552 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C1CC1 224595687 SZNHQWONXHXBEH-VXKWHMMOSA-N 404.539 4.718 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 224731491 XURVFEVMUOGVKH-HXUWFJFHSA-N 424.585 4.615 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 225555317 HTCSLYYTELRKDO-AVRDEDQJSA-N 414.977 4.913 0 40 HJAB COc1ccc(NC(=S)NCCCSCc2ccccc2Cl)c(OC)c1 225606191 DASMTAROEQUCKI-UHFFFAOYSA-N 410.992 4.967 0 40 HJAB Clc1ccc(Cc2nnc3sc(-c4ccccc4Br)nn23)cc1 226299988 BHCWPQCXWQNSPD-UHFFFAOYSA-N 405.708 4.860 0 40 HJAB CCCCc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(OC)c3)o2)[nH]n1 257199593 AAAZAUMRPMRGBK-JOCHJYFZSA-N 422.529 4.707 0 40 HJAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3cccc(C(F)(F)F)c3)N2C(=O)c2ccccc2)N1 257277413 NXVUJPBLMRXVFJ-AABGKKOBSA-N 416.443 4.720 0 40 HJAB O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 537371897 UUFOTIARZLJAMA-LYRGGWFBSA-N 424.444 4.687 0 40 HJAB Cc1c(-c2cccc(NC(=O)Nc3cccc(OC(F)F)c3)c2)nc2ncccn12 585419469 WGADCASEDHHFPM-UHFFFAOYSA-N 409.396 4.950 0 40 HJAB O=S(=O)(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1cccc2ccccc12 618256894 YJHGEMJLNGXECO-MRXNPFEDSA-N 415.561 4.642 0 40 HJAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@H]3CC[C@H](c4cccc(F)c4)C3)C2)c1 1543873329 ZCLKWMGTEYJUOY-HFMPRLQTSA-N 422.544 4.747 0 40 HJAB CCOc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 693030 QQWGULBTZFGPGF-UHFFFAOYSA-N 419.319 4.628 0 40 HJAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3F)C3CCCC3)cc2c1 1366884 OVHLISBMOVHYTK-UHFFFAOYSA-N 408.473 4.651 0 40 HJAB COc1ccc2nc(NC(=O)/C=C/c3ccc(OC)c(Br)c3)sc2c1 1775896 AIDVQDYYZSMTPC-XBXARRHUSA-N 419.300 4.728 0 40 HJAB CCOc1ccccc1N1C(=O)N[C@H]2C[C@]1(C)Oc1ccc(Br)cc12 2468525 PXCXJWJBYLPZFT-LIRRHRJNSA-N 403.276 4.617 0 40 HJAB Cc1ccc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c(C)c1 2650864 HQEHACJFHIQGFV-UHFFFAOYSA-N 417.437 4.541 0 40 HJAB Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)cc1 3117989 SEMUCWLHHNXURP-HSZRJFAPSA-N 413.477 4.815 0 40 HJAB biogenic,in-vitro O=C(COC(=O)/C=C/c1ccc(Br)o1)Nc1cc(Cl)cc(Cl)c1 3230175 VVSADRYRGGGRNJ-DUXPYHPUSA-N 419.058 4.544 0 40 HJAB Cc1cc2nnc(SCC(=O)Nc3ncc(Cl)cc3Cl)n2c2ccccc12 3255898 MTFMASQTBNRGFE-UHFFFAOYSA-N 418.309 4.624 0 40 HJAB C[C@@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)c1ccccc1 4084814 SMBBHPVLMHSHPM-OYMMJLNRSA-N 421.500 4.515 0 40 HJAB biogenic Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)o1 4553473 RWYZKGFOJXFPET-HSZRJFAPSA-N 409.869 4.557 0 40 HJAB Cc1ccnc2c(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)cccc12 4893719 TZXHAULOUOEUKY-OVKIHRCZSA-N 416.480 4.940 0 40 HJAB CC(C)(C)c1ccc(S(=O)(=O)NCCCc2nc3cc4ccccc4cc3[nH]2)cc1 4895280 CUHRJNVUBFLSMO-UHFFFAOYSA-N 421.566 4.925 0 40 HJAB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(F)cc3s2)CC1 5181293 YGXBLSJLCXCEAW-UHFFFAOYSA-N 410.301 4.705 0 40 HJAB CC[n+]1c(-c2ccc(C)cc2)csc1Nc1c(C)n(C)n(-c2ccccc2)c1=O 5257479 QQVZHIVKAACNIN-UHFFFAOYSA-O 405.547 4.572 0 40 HJAB COc1ccc(N(C(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 5794066 GEWGMUBCZCWVFV-UHFFFAOYSA-N 415.898 4.693 0 40 HJAB aggregator Cc1cc(C(=O)CSc2nc3cc(Cl)cnc3[nH]2)c(C)n1Cc1ccco1 5902939 NDPVKUMCXFSZSU-UHFFFAOYSA-N 400.891 4.646 0 40 HJAB O=S(=O)(NCCCCCc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 6133781 YCMVLPIEEATXJC-UHFFFAOYSA-N 412.342 4.561 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)cc1Cl 6438859 OUVNTTPQTDXEPB-UHFFFAOYSA-N 420.962 4.820 0 40 HJAB CCc1ccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 6752569 HCBOYSPMGRQNHW-UHFFFAOYSA-N 419.569 4.917 0 40 HJAB O=C(COC(=O)COc1ccc2ccccc2c1)Nc1ccc(Cl)cc1Cl 6887302 VMCBDZSBYXHBPW-UHFFFAOYSA-N 404.249 4.707 0 40 HJAB CC(=O)c1sc(-c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)cc2)nc1C 7065910 TWBQRYPISGCUJY-OAQYLSRUSA-N 420.534 4.894 0 40 HJAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cnn(Cc3ccccc3)c2)cc1 7113114 ZRNMUOORTRYYKW-DEOSSOPVSA-N 410.477 4.711 0 40 HJAB Cc1ccc(CN2C(=O)N(c3c(C)cccc3C)S(=O)(=O)c3ccccc32)cc1 7615876 VRCNOJITHFKUDN-UHFFFAOYSA-N 406.507 4.947 0 40 HJAB Cc1cccc(Oc2ccccc2NCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 8156328 XYWAZIQIWRSEIC-UHFFFAOYSA-N 417.509 4.675 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1F)c1ccc(F)cc1 8810834 VADSJGMTDHROKZ-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB COc1ccc(-c2csc(NC(=O)CN[C@H](C)c3ccccc3Cl)n2)cc1 9364626 GEAMKANJVLOGFM-CYBMUJFWSA-N 401.919 4.761 0 40 HJAB COCCCn1c(C)cc(C(=O)CSc2nc(C3CC3)nc3ccccc23)c1C 10943905 LBYVLKDIKPVZRV-UHFFFAOYSA-N 409.555 4.937 0 40 HJAB CC[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 11738347 MTKYUFYNYVHGBX-MKGTUJQCSA-N 410.945 4.859 0 40 HJAB Cc1ccc([C@@H](C)C(=O)NCCn2ncc(-c3cc(C)no3)c2-c2cccs2)cc1 12258644 MJQRZHMXBFGEHH-QGZVFWFLSA-N 420.538 4.803 0 40 HJAB COc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)CC(C)C)cc1 12321299 JTRRQTIAXKZJLD-UHFFFAOYSA-N 406.548 4.512 0 40 HJAB CCOC(=O)Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3cccc(OC)c3)nc21 12396303 ZANJECCSHHUWSF-UHFFFAOYSA-N 419.403 4.566 0 40 HJAB FC(F)(F)c1cccc(-c2noc(CCCN3CCN(c4ccccc4)CC3)n2)c1 12522202 WNCLFFRQAXETBE-UHFFFAOYSA-N 416.447 4.510 0 40 HJAB COc1ccc(-c2cc(CNC(=O)C3c4ccccc4Oc4ccccc43)no2)cc1 12638263 AFQRIGPRELFHRG-UHFFFAOYSA-N 412.445 4.904 0 40 HJAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1OC(C)C 12750070 GNQZTJIPKCPPOQ-OEMHODTASA-N 423.509 4.631 0 40 HJAB CC[C@]1(C)Cc2ccccc2-c2c1c(=O)n(CCc1ccccc1)c1ncc(S)n21 13228213 GBIKHOAJAFLWEL-RUZDIDTESA-N 415.562 4.918 0 40 HJAB O=C(CSC1=NC(c2ccccc2)=NCN1c1ccccc1)Nc1ccccc1 15860601 RUMDTJCCKACANO-UHFFFAOYSA-N 400.507 4.639 0 40 HJAB COc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1OC 16047578 YGFVDGVEQOCPCG-UHFFFAOYSA-N 419.300 4.842 0 40 HJAB O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1cccc(Cl)c1 16841212 NNEWIDFJGWTJNS-UHFFFAOYSA-N 412.877 4.920 0 40 HJAB CC(C)C(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(=O)NC2CC2)C1 19085418 QGYYDHNBLFHXHK-DEOSSOPVSA-N 410.583 4.501 0 40 HJAB CSc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1 19170799 OIGNWIHTUSUZCD-UHFFFAOYSA-N 416.499 4.601 0 40 HJAB Cc1noc(C)c1CCc1cc(O)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 19580874 LSEUYNTYYDHOCY-UHFFFAOYSA-N 402.376 4.511 0 40 HJAB Cc1ccnn1Cc1cc(C(=O)NCC(C)(C)c2ccc(F)cc2)c2ccccc2n1 19716514 RYZBEIDVWPPFSE-UHFFFAOYSA-N 416.500 4.635 0 40 HJAB CC(C)(Br)C(=O)Nc1nc2c(Cl)cc(Br)cc2s1 20133178 BEQNFLBYZCXTFF-UHFFFAOYSA-N 412.534 4.824 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(c2ccc(-c3ccco3)nn2)C1 23143004 MMYWSHAJWBWSEL-CQSZACIVSA-N 416.403 4.611 0 40 HJAB CN(Cc1ccc2ccccc2c1)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 23956938 DLHSKXXPWZQDHB-MHZLTWQESA-N 423.516 4.850 0 40 HJAB O=C(Cc1coc(-c2ccccc2)n1)N(Cc1cccc(Br)c1)C1CC1 25090396 OETZGTDLADIRBU-UHFFFAOYSA-N 411.299 4.838 0 40 HJAB Cc1ccccc1-n1cnnc1SC[C@@H](O)Cn1c2ccccc2c2ccccc21 25093215 HRWIATNXHGEANV-SFHVURJKSA-N 414.534 4.837 0 40 HJAB Cc1cccc(C)c1OCC(=O)NC[C@H](c1ccccc1Cl)N1CCCCC1 27664520 DQYDSSHBHBBDLH-OAQYLSRUSA-N 400.950 4.679 0 40 HJAB O=C(CCC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc(Cl)s1 31127206 QMNGULLETXZLIY-ZDUSSCGKSA-N 402.903 4.912 0 40 HJAB C[C@@]1(C(=O)Nc2ccc(Cl)cc2)CCC(=O)N1Cc1ccc(C(F)(F)F)cc1 33434014 RYUJEVPHCJOCBT-IBGZPJMESA-N 410.823 4.879 0 40 HJAB COc1ccc(CN(CCCn2ccnc2)Cc2[nH]c3ccc(F)cc3c2C)cc1 36740174 LVFNOQWKOHFFRR-UHFFFAOYSA-N 406.505 4.913 0 40 HJAB COC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)ccc1F 40132581 FZXAHUOQZYZANE-UHFFFAOYSA-N 424.476 4.550 0 40 HJAB CCc1nn2c(nnc3c(=O)n([C@@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccccc1 40388364 CGVGSAQYWHRPKT-TXPKVOOTSA-N 401.514 4.666 0 40 HJAB O=C(Nc1ccc(F)cc1C(=O)N1CCC(Cc2ccccc2)CC1)N1CCCC1 49543856 YRYBYNFKUCBWTI-UHFFFAOYSA-N 409.505 4.548 0 40 HJAB Cc1ccccc1-c1noc(C[C@H](c2ccccc2)N2C(=O)c3ccccc3C2=O)n1 57354835 SCKJMNHPZDDZAN-OAQYLSRUSA-N 409.445 4.625 0 40 HJAB C[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(COc2ccc(F)cc2)o1 63450359 GLDPEZMZDJMAJF-CQSZACIVSA-N 410.470 4.968 0 40 HJAB CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cnc(Cl)c(C)c1 72313055 LLEBHCSZOKNOGP-FQEVSTJZSA-N 415.946 4.547 0 40 HJAB CCCCOCCCNC(=O)CC(C)(C)CC(=O)Nc1ccc(OCCC)cc1 199421518 DEDPOKWTIBUBHU-UHFFFAOYSA-N 406.567 4.543 0 40 HJAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc2sc(NN)nc12 216787922 MCNBQWHKNMWGCB-VIFPVBQESA-N 411.314 4.603 0 40 HJAB Cc1cccc(CSCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 222671684 WNJLSFOUXPZZPF-LJQANCHMSA-N 412.599 4.560 0 40 HJAB CC[C@@H](NC(=O)COc1ccc(Br)c(C)c1)c1ccc(OC)c(C)c1 223713556 PIJCQZRBOBMJSD-GOSISDBHSA-N 406.320 4.721 0 40 HJAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224320809 ZIEKYUYRTAEJHS-OAQYLSRUSA-N 414.977 4.995 0 40 HJAB O=C(CSCc1ccccc1Cl)NCc1cccc(CN2CCCCC2)c1 224645334 AUDVHHMSNDKIHO-UHFFFAOYSA-N 402.991 4.876 0 40 HJAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)c1 224845896 LVBSEIDULXXWRJ-YADHBBJMSA-N 422.554 4.658 0 40 HJAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225707849 PWMYSSRFKLZHNK-UHFFFAOYSA-N 404.557 4.570 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)c3csc(C)c3)CC2)on1 257209765 BRUFVHLQSBSCTD-QAQDUYKDSA-N 410.543 4.822 0 40 HJAB CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1 260565835 WPNMAHVGBKPUOX-LJQANCHMSA-N 422.550 4.701 0 40 HJAB CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)C(=O)c1ccccc1 408648258 JWCQUXZVHPMCGS-PBHICJAKSA-N 420.292 4.551 0 40 HJAB Cc1c(NC(=O)COC(=O)c2ccccc2Cl)ccc(Br)c1Cl 408665476 FLRLYTUROHCXSZ-UHFFFAOYSA-N 417.086 4.860 0 40 HJAB O=C(NC1=NCCS1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408976845 GTPHMKVVSNOWJI-UHFFFAOYSA-N 422.560 4.919 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 409013526 AYESAIJGMMRIII-UHFFFAOYSA-N 410.823 4.850 0 40 HJAB CC[C@H](C)n1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c2ccccc21 409103490 HFKGTMAXMIYKFN-XKYMITNMSA-N 400.500 4.600 0 40 HJAB O=C(C1CCC(OC[C@H]2CCCO2)CC1)N1CCC(c2ccc(Cl)cc2)CC1 501212660 WNTVJQYMKLEBDB-KITAHSCOSA-N 405.966 4.800 0 40 HJAB COc1ccc(Nc2cc(C)nc(C3CCN(C(=O)c4ccccn4)CC3)c2)cc1 2037834383 APOSJCORONGONI-UHFFFAOYSA-N 402.498 4.557 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](OC(C)=O)c1ccccc1 706880 RCWYVYDSNHGJRK-FQEVSTJZSA-N 423.490 4.835 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(F)cc1 898780 SJZKXWDCULDTBY-UHFFFAOYSA-N 404.470 4.804 0 40 HJAB COc1cccc([C@H]2Nc3ccccc3C(=O)N2CCOc2ccc(C)cc2)c1OC 1080704 ZCSUIKQUTAPNRV-DEOSSOPVSA-N 418.493 4.658 0 40 HJAB COc1ccc(C2=Nn3c(COc4ccc(Cl)cc4Cl)nnc3SC2)cc1 1417179 NOBCDPJZXGZAJK-UHFFFAOYSA-N 421.309 4.531 0 40 HJAB COc1ccccc1Cn1c(SCc2ccccc2F)nc2ccccc2c1=O 2969991 VCFWPJNSQHLROC-UHFFFAOYSA-N 406.482 4.885 0 40 HJAB Cc1cc(C(=O)CSc2nncn2-c2ccccc2)c(C)n1Cc1ccccc1 3343864 DWCZXCZKESHSKR-UHFFFAOYSA-N 402.523 4.709 0 40 HJAB Cc1ccc2c(CC(=O)O[C@@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)coc2c1 3421716 ILKGIWHAVAIJBP-HNNXBMFYSA-N 420.490 4.978 0 40 HJAB Cc1ccc(N(C(=O)c2ccccn2)C2(C(=O)NC3CCCC3)CCCCC2)cc1 3626018 CESHHOIDSZWKAG-UHFFFAOYSA-N 405.542 4.799 0 40 HJAB CN(C)CCN(C(=O)C1CCCCC1)c1nc2ccc(Br)cc2s1 4359201 ZFCJONDMPPJSCS-UHFFFAOYSA-N 410.381 4.534 0 40 HJAB CCOc1ccc(N2C(=O)c3[nH]nc(-c4ccc(C)cc4)c3[C@H]2c2ccccn2)cc1 4623280 PFQJQXFBDWUIMO-XMMPIXPASA-N 410.477 4.929 0 40 HJAB COc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C)c3)c2)cc(OC)c1OC 4659783 LFTWUAUTEYYBMX-UHFFFAOYSA-N 420.465 4.525 0 40 HJAB COc1ccccc1C(=O)Nc1cccc(-c2nnc3c4ccccc4c(C)nn23)c1 5100589 OKQWXYZYNOCPPE-UHFFFAOYSA-N 409.449 4.514 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)c3cc(C)n(C)c3C)n2Cc2ccco2)c1 5196290 TZZNCDGIVIMDGZ-UHFFFAOYSA-N 420.538 4.825 0 40 HJAB Cc1cc(C)c(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(Cl)c1 8310561 JVDUGDMXRCQRDC-LJQANCHMSA-N 414.933 4.894 0 40 HJAB C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)N1CCCc2ccccc21 9254462 WTDDZBFRRPGUSI-AWEZNQCLSA-N 402.589 4.743 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)c1 10747642 KRCQDHXBGFUNMA-UHFFFAOYSA-N 410.451 4.834 0 40 HJAB CC(C)N(C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1)C(C)C 12105434 ZOUVFHCBDUMBQE-UHFFFAOYSA-N 408.571 4.596 0 40 HJAB C[C@@H](C(=O)Nc1ccc(C2CCCCC2)cc1)n1nc(-c2cccs2)cc(N)c1=O 12181591 VBNTXKZEOMMGMD-HNNXBMFYSA-N 422.554 4.801 0 40 HJAB O=C(NCc1cccnc1)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 12231682 GIIGNAYDXLVAOY-UHFFFAOYSA-N 422.475 4.683 0 40 HJAB O=C(COc1ccc(Cl)cc1)N1CCc2[nH]c3c(Br)cccc3c2C1 12321610 FQHRDILLHKIULI-UHFFFAOYSA-N 419.706 4.548 0 40 HJAB C[C@H](NC(=O)[C@@H](C)N1CCC(c2nc3ccccc3s2)CC1)c1ccc(F)cc1 12821366 AQIDDXSIBILVJX-JKSUJKDBSA-N 411.546 4.881 0 40 HJAB CCCc1ccc([C@@H](NC(=O)CNC(=O)Nc2ccccc2)c2cccs2)cc1 12920250 GSZJJYWUNVUYSW-JOCHJYFZSA-N 407.539 4.728 0 40 HJAB O=C(NCCSc1ccccc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 13120625 OTGLFUWPVIHMBR-UHFFFAOYSA-N 424.591 4.774 0 40 HJAB Cc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc2c1CCC2 14137252 CYDXXBGKWNMPEA-UHFFFAOYSA-N 401.841 4.677 0 40 HJAB CC1CCN(Cc2csc(NC(=O)COc3cc(Cl)ccc3Cl)n2)CC1 15583675 GBOFBICHYWKNTE-UHFFFAOYSA-N 414.358 4.699 0 40 HJAB C[C@H](NC(=O)C(=Cc1ccc(O)cc1)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 16410173 CDJILDIIGYBPDO-KDURUIRLSA-N 414.505 4.530 0 40 HJAB Cc1ccc(S(=O)(=O)NNc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 17050974 OLKVCEWQGFGXHI-UHFFFAOYSA-N 424.913 4.564 0 40 HJAB CN1CC2=C(NC(=S)N[C@@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 17253977 LRZWOWVKVTUTOT-YNEJIKTKSA-N 416.377 4.795 0 40 HJAB CC(C)OP(=O)(OC(C)C)C(C[P@@H](=O)O)P(=O)(OC(C)C)OC(C)C 18196439 HDENJGISIDMYEK-UHFFFAOYSA-N 422.332 4.866 0 40 HJAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)CCC3CCCC3)C1)N2 19127708 MTEDJVWDTAQFDN-OKZBNKHCSA-N 412.500 4.688 0 40 HJAB Cc1cc(C)cc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)c1 21099743 CWEPTUHEIFPAPI-UHFFFAOYSA-N 414.465 4.534 0 40 HJAB CC(=O)N(c1nc(CSc2nc(C)cc(N)n2)cs1)c1c(C)cc(C)cc1C 22090396 IRACFWNFTOEJTC-UHFFFAOYSA-N 413.572 4.726 0 40 HJAB Cc1cc(C(=O)CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(C)s1 22131970 DCFFCJQZUSCVNZ-LJQANCHMSA-N 413.539 4.853 0 40 HJAB COc1cc2ccccc2cc1C(=O)OCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 25054963 GVRZFLFHCJRJLH-QGZVFWFLSA-N 417.505 4.761 0 40 HJAB CCc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2OC)cc1 28527797 BNZUSDIXZOKCOS-UHFFFAOYSA-N 419.529 4.814 0 40 HJAB Cc1ccc(Nc2nnc(SCc3ccc(Cl)cc3)n(-n3cccc3)c2=O)cc1 28534651 YZDYLPCLBRLDNA-UHFFFAOYSA-N 423.929 4.749 0 40 HJAB Cc1csc(SCc2c(C(=O)NCCCn3cccn3)oc3ccccc23)n1 30169928 NNZOETNLUBBJFW-UHFFFAOYSA-N 412.540 4.507 0 40 HJAB Cc1ccc2c(=O)cc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)oc2c1 32622507 CBNDAOMTBKOZQM-UHFFFAOYSA-N 404.491 4.731 0 40 HJAB O=C(NCCCc1nc2ccccc2[nH]1)N[C@@H](c1ccc(F)cc1)c1cccs1 32795291 IWKLCFCLUBRUQO-NRFANRHFSA-N 408.502 4.785 0 40 HJAB Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)C(C)C 32983504 KLHSSIWQQSXYND-HNAYVOBHSA-N 406.448 4.646 0 40 HJAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cccn1Cc1cccs1 40157483 RPDQPYDLVLKYJP-NRFANRHFSA-N 416.550 4.650 0 40 HJAB CCOc1ccccc1CCCNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 44909862 TZQNKLKRYVAMRI-NRFANRHFSA-N 414.977 4.700 0 40 HJAB CCN(CC)c1ccc(NC(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cn1 48343032 BTLQAPSBLGIGRB-UHFFFAOYSA-N 408.546 4.671 0 40 HJAB Cc1ccccc1-c1noc(C[C@@H](c2ccccc2)N2C(=O)c3ccccc3C2=O)n1 57354834 SCKJMNHPZDDZAN-NRFANRHFSA-N 409.445 4.625 0 40 HJAB CCc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)c1 57472511 XKSYRSKCLZSYGB-UHFFFAOYSA-N 409.555 4.736 0 40 HJAB Cc1ccc(-c2cc3c(N4CCN(c5cccc(C)c5C)CC4)nccn3n2)c(C)c1 67285114 DMUGZXCPMDSBLV-UHFFFAOYSA-N 411.553 4.957 0 40 HJAB O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccc(F)c(Cl)c1 67298141 OQKWBUZFINFFPI-NKFKGCMQSA-N 415.833 4.872 0 40 HJAB Fc1cc(-c2cccc(-c3ncn[nH]3)c2)cc(F)c1CNC1Cc2ccccc2C1 68198664 WIEDUMBCZQRGSY-UHFFFAOYSA-N 402.448 4.674 0 40 HJAB investigational Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN2C(=O)C2CCCC2)n1 72354824 JDBMZIUBHRJAFH-KRWDZBQOSA-N 404.436 4.598 0 40 HJAB Cc1nc([C@@H]2CCCN(Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)C2)n[nH]1 79108997 CYYIEVPEILVESJ-GOSISDBHSA-N 420.948 4.544 0 40 HJAB Cn1cc(C[C@H]2CCN(C(=O)Nc3sc(C4CC4)nc3-c3ccccc3)C2)cn1 95430193 PLYHBOVLBKPEPC-OAHLLOKOSA-N 407.543 4.518 0 40 HJAB CN(C)c1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C(C)(C)C)C2)cc1 97105881 CGCWRVPZTUNZKJ-FQEVSTJZSA-N 419.978 4.619 0 40 HJAB COCCn1/c(=N/C(=O)CCSc2ccccc2)sc2cc(Cl)ccc21 100873752 WKEKKNWYAKBBJD-VZCXRCSSSA-N 406.960 4.612 0 40 HJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COc1ccc2c(=O)c(-c3ccc(F)cc3)coc2c1 102169168 IZTVWXJSZQAIMY-ZMPRRUGASA-N 423.484 4.919 0 40 HJAB C[C@@H](Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCCC1)c1ccccc1 217451357 UWPHHQBXJCQZFF-MRXNPFEDSA-N 416.543 4.559 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 223229712 IRYIVRZBHXXSRQ-LJQANCHMSA-N 414.977 4.833 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 223544107 YGSQOOILNDNEGV-QGZVFWFLSA-N 418.990 4.766 0 40 HJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1Cl 223706945 BYDHXXGPXIEODH-AWEZNQCLSA-N 401.890 4.802 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 223804916 HQQOBZMGNUPAOQ-OAQYLSRUSA-N 406.570 4.712 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H](C)c3ccccc3)ccc2C)cc1 223944202 FQIKKHKGLBOMQY-LJQANCHMSA-N 422.550 4.638 0 40 HJAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225066168 BRXUPUNPIYRWPN-NRFANRHFSA-N 408.586 4.729 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 225212702 HIZRBRRRGZAMLZ-ROUUACIJSA-N 416.562 4.640 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)cc1 225546813 MPKIZYBUOUDYKW-SFHVURJKSA-N 400.950 4.523 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(C)cc2C)cc1 225565950 LWCOMVQJYJFOCX-STZFKDTASA-N 406.507 4.783 0 40 HJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccccc1C 225652673 ZCSSKKYZLFAYPA-NRFANRHFSA-N 401.915 4.725 0 40 HJAB CC(=O)c1ccc(NC(=O)c2cc(Br)c(C)c(Br)c2)cc1 226273199 GMXNRIWVQOAPMB-UHFFFAOYSA-N 411.093 4.975 0 40 HJAB COc1cc(N)cc(Br)c1NC(=O)c1cc(Cl)cc(Cl)c1OC 227146994 AQJFAEVENRHZAB-UHFFFAOYSA-N 420.090 4.608 0 40 HJAB Cc1c([C@H](C)[C@@H]2NC[C@H](C)C[C@@H]2O)ccc2c1C[C@@H]1[C@@H]2CC=C2C[C@@H](O)CC[C@]21C 248334790 MALFODICFSIXPO-GBZQPASCSA-N 409.614 4.595 0 40 HJAB biogenic,in-vitro COc1cccc2c1OC1(CCN(C(=O)CCc3ccccc3)CC1)[C@H]1CCCO[C@H]21 257233215 GOGWHSVYOVIUNS-XUZZJYLKSA-N 421.537 4.549 0 40 HJAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4ccc(C)nc4)C3)c2)cc1 257298333 RLGBVODXYWXBGG-NRFANRHFSA-N 401.510 4.789 0 40 HJAB COc1ccccc1CN1CCC(Cc2ccccc2-c2ccccc2)(C(N)=O)CC1 257335362 YJVWEQWTSLPZLK-UHFFFAOYSA-N 414.549 4.672 0 40 HJAB CCOc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1Br 260778108 QZPFBMZQVLDJCL-OCBCSQNSSA-N 418.360 4.832 0 40 HJAB CCCN1C(=O)N/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O 409232872 SQFWDCAOMXMGDX-GZTJUZNOSA-N 405.281 4.875 0 40 HJAB O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1ccc(F)cc1 409382944 PERHNSUPHOJVPE-UHFFFAOYSA-N 420.469 4.510 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1O 409411592 JYRDYQRBHLIDPK-UHFFFAOYSA-N 423.325 4.708 0 40 HJAB O=C(NC[C@@H](CO)Cc1ccccc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 605391669 RUQBCPAJOKQCOB-SFHVURJKSA-N 413.439 4.953 0 40 HJAB COCc1cncc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)c1 680895232 HRKCIHSZDGSIIS-UHFFFAOYSA-N 403.360 4.686 0 40 HJAB Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCCN3Cc3ccc(Cl)cn3)n2)n1 2037905344 KMZRCXGMKTYVFS-LJQANCHMSA-N 423.952 4.711 0 40 HJAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)CCc3ccccc3)CC2)cc(C)c1Cl 2037912382 KUIBTYVZLLRRCG-XMMPIXPASA-N 415.961 4.712 0 40 HJAB CC(C)OC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 878121 MAYOWWJQDZCLAM-UHFFFAOYSA-N 417.918 4.543 0 40 HJAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cccnc1 977580 DCXFLIMXABDIIR-UHFFFAOYSA-N 404.520 4.794 0 40 HJAB O=C(Cc1ccccc1)Nc1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2)c1 1097990 OFVBHUQILWAWCL-UHFFFAOYSA-N 407.853 4.561 0 40 HJAB COc1ccc(CN(CC[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)C(C)=O)cc1 1321636 LDOFBEQHEPICKS-DEOSSOPVSA-N 417.505 4.995 0 40 HJAB biogenic CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(Cl)cc3)C3CC3)cc2c1 1364843 YAVVZVXCRQEKSM-UHFFFAOYSA-N 411.889 4.777 0 40 HJAB COc1cc(NC(=O)COc2ccccc2C)c(Cl)cc1NC(=O)c1ccccc1 1439255 JEFMHLASOVAGOL-UHFFFAOYSA-N 424.884 4.927 0 40 HJAB CCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 2088166 KPRPUMOJEZXLMR-JSGCOSHPSA-N 421.250 4.990 0 40 HJAB COc1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 2207070 UUVBNNOSSYQPNX-UHFFFAOYSA-N 416.481 4.654 0 40 HJAB COC(=O)c1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 2629524 JLLWKORRGDKCSI-UHFFFAOYSA-N 405.479 4.665 0 40 HJAB Cc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1C 3216572 WAFYMGUANNPRFF-UHFFFAOYSA-N 403.265 4.954 0 40 HJAB O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ccc(N2CCCCC2)cc1 3300465 MZJVDUQTFCDFOK-UHFFFAOYSA-N 421.324 4.708 0 40 HJAB O=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(Br)cc1 6269197 LKLIUIJMSHCPCW-UHFFFAOYSA-N 408.093 4.805 0 40 HJAB CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(OC)c1 6629970 XXZIQAAWQCBOJE-CIAFOILYSA-N 421.522 4.650 0 40 HJAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)[C@H]1CCCN1C(=O)c1cccs1 6649517 NFFCZPXFXKJZDG-GOSISDBHSA-N 417.962 4.635 0 40 HJAB Cc1ccc(NC(=O)NCc2ccc(CNC(=O)Nc3ccc(C)cc3)cc2)cc1 6814612 LFEVARVWZBMBQL-UHFFFAOYSA-N 402.498 4.947 0 40 HJAB CCCc1n[nH]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 7601282 FEFBMYCJLAYBTD-UHFFFAOYSA-N 418.950 4.878 0 40 HJAB CCn1c(SCc2cccc(C(=O)O)c2)nnc1-c1cc(Cl)ccc1OC 7605209 IPXOZXRRRLFTAP-UHFFFAOYSA-N 403.891 4.618 0 40 HJAB C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NC[C@@H]1CCCO1 8133064 CNANDYCGCCJFMQ-APWZRJJASA-N 407.539 4.520 0 40 HJAB Cn1c(COc2ccc(Cl)cc2)nnc1SCCOc1ccc(Cl)cc1 8393931 GOWUYLZIQKVVHW-UHFFFAOYSA-N 410.326 4.872 0 40 HJAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 10321000 CDWVWVPFKLAMHT-HXUWFJFHSA-N 424.570 4.722 0 40 HJAB Cc1ccc([C@H](C)C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)cc1 12181726 YXPZYAXDRKGASW-FRYIKTPZSA-N 416.516 4.533 0 40 HJAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)COc3ccccc3F)n2)cc1 12441911 CTBXHGYISHKPBG-UHFFFAOYSA-N 422.485 4.769 0 40 HJAB COc1ccc(O[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 14400484 KCTNCRKDLJWGQQ-ZDUSSCGKSA-N 414.354 4.819 0 40 HJAB COc1ccc(Nc2nc(Nc3cccc(Cl)c3)c3cnn(C)c3n2)c(OC)c1 15682337 HDTLUMUHSTTZIB-UHFFFAOYSA-N 410.865 4.521 0 40 HJAB Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCCC2)c1 15833358 HSYSBHGPOYHFOW-UHFFFAOYSA-N 423.582 4.918 0 40 HJAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCc3sccc3[C@H]1c1cccs1)CO2 19562420 DLWDWVGFWSGDAG-VFNWGFHPSA-N 411.548 4.544 0 40 HJAB FC(F)(F)c1cccc(OCCc2cc([C@H]3CCCN3Cc3ccncc3)n[nH]2)c1 19703676 JOTWNPOFKVETLN-OAQYLSRUSA-N 416.447 4.782 0 40 HJAB O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Cl)cc1 19898050 RALXSZXMLPFWFY-UHFFFAOYSA-N 419.956 4.686 0 40 HJAB O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20241804 KJXVBLUYWSULFY-UHFFFAOYSA-N 419.956 4.910 0 40 HJAB O=C1c2ccccc2N[C@@H](c2cc(Br)ccc2OC(F)F)N1C1CC1 21360816 AJSKVSDLSRGRIV-MRXNPFEDSA-N 409.230 4.779 0 40 HJAB CCn1cc(C(=O)Nc2cc(Cl)ccc2OC)c(=O)c2cc(C(F)(F)F)ccc21 22236849 LKEVFYATAYEKLZ-UHFFFAOYSA-N 424.806 4.955 0 40 HJAB Cc1csc(SCc2ccc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)cc2)n1 30030460 JWFPLTBPJUHTQQ-OAQYLSRUSA-N 423.607 4.873 0 40 HJAB Cc1ccccc1Nc1nc(N)nc(CSCc2cc(F)cc3cccnc23)n1 32814991 ZUFAUEOKIDRJQI-UHFFFAOYSA-N 406.490 4.627 0 40 HJAB C[C@H](NC(=O)CSc1nnc(SCc2cccs2)s1)c1ccccc1 32823797 BWAUVZBXYNQLJN-LBPRGKRZSA-N 407.611 4.861 0 40 HJAB O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(NC(=O)Nc2ccccc2)c1 32900650 WXFPSXDALHOWNC-UHFFFAOYSA-N 403.438 4.631 0 40 HJAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2cc(Cl)c3c(c2)OCO3)cc1 32908710 IGGBMWCJEJCKRN-UHFFFAOYSA-N 422.912 4.727 0 40 HJAB CCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc1OCC 35125261 OCHGCTKZLNPBGO-JXAWBTAJSA-N 408.454 4.771 0 40 HJAB CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)s1 35897791 JDNUHGUKYOZZEW-WXRFYESLSA-N 424.522 4.585 0 40 HJAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1nnnn1-c1ccccc1 40127471 CWZAGWIQRBUFBV-HNNXBMFYSA-N 419.558 4.609 0 40 HJAB COc1ccccc1CCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 44906717 PFZHJEKCJVKJLR-UHFFFAOYSA-N 414.549 4.616 0 40 HJAB O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078386 AQWOPJAFGDAHPY-UHFFFAOYSA-N 404.897 4.863 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(-c2ccc(O)nn2)c1 61460095 ZXQOXBVSBMFALJ-UHFFFAOYSA-N 424.819 4.857 0 40 HJAB COc1cccc2cc(C(=O)NC[C@@H]3CCCO3)/c(=N/c3ccc(C(C)C)cc3)oc12 67293747 DHCABTKMNABJGB-TZZGGZJJSA-N 420.509 4.706 0 40 HJAB O=C(N[C@H]1CCc2ccccc21)c1ccc(Oc2nccnc2N2CCCCC2)cc1 67323975 NMGKVFYOTDENJA-QFIPXVFZSA-N 414.509 4.677 0 40 HJAB CCOc1ccc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1 96315924 OKDWTPCTOVUPTH-QHCPKHFHSA-N 417.557 4.731 0 40 HJAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)C1 102162508 LPBCNHRLTXJANO-MRDQGFSESA-N 420.553 4.698 0 40 HJAB Cc1cc(C)c(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3)C2=O)c(C)c1 102721987 GRSVHQCKZAIOBQ-OEMFJLHTSA-N 412.489 4.663 0 40 HJAB COc1ccc(S[C@H](C)C(=O)NCCSCc2ccc(C)cc2)cc1OC 216261539 HJXGXXMBOOFDIT-MRXNPFEDSA-N 405.585 4.542 0 40 HJAB CCOc1c(Cl)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222573412 WWVRPNXBGKDWQG-JBBXEZCESA-N 403.935 4.732 0 40 HJAB C[C@@H](C(=O)NCCC1=CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222915046 JSNBTZCWUWGLHR-FQEVSTJZSA-N 422.544 4.792 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 223237657 FEBZJZVHBXJRMZ-GOSISDBHSA-N 400.950 4.525 0 40 HJAB Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccco1 223354925 LLPGALRXDCRWAX-XZOQPEGZSA-N 414.534 4.946 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 223371553 REOPRTMCGJKUNR-HXUWFJFHSA-N 421.368 4.706 0 40 HJAB CCCC[C@@H](CC)CNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 223747485 LLQGABQPANOVIO-LJQANCHMSA-N 416.587 4.599 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 224076535 SEKFYLLCSOBWOB-KRWDZBQOSA-N 418.990 4.622 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 224269366 NQVWLZPTVDXQTO-FQEVSTJZSA-N 418.990 4.517 0 40 HJAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224355014 UDLMKJWUGSZJHT-NRFANRHFSA-N 414.977 4.995 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CSc1ccccc1 224555565 BWORPIUXPYCZLS-QFIPXVFZSA-N 412.599 4.667 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 225131318 HJAQTMHDSCVHST-MSOLQXFVSA-N 400.950 4.523 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 225170543 VXQRYAGLZGJQNF-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@H](CC(C)C)c3ccccc3)ccc21 225729438 TYSZVWMHODESGX-GOSISDBHSA-N 418.584 4.539 0 40 HJAB C[C@@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)N[C@H](C)c3ccccc3)n2)C1 225964030 PVNQKVRMBWQGDV-RBSFLKMASA-N 403.983 4.660 0 40 HJAB O=C(c1cccc(Nc2ncccn2)c1)N1CCC(Cc2ccc3ncccc3c2)CC1 257236307 HBNXAZDZSLCVQH-UHFFFAOYSA-N 423.520 4.863 0 40 HJAB O=C(O)COc1ccccc1CN1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257297165 RGEAXKCZPABUEQ-NRFANRHFSA-N 424.472 4.595 0 40 HJAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)c(Cl)cc1O 260788377 ZLXDCLUODYGBPT-GESALYCCSA-N 403.935 4.819 0 40 HJAB Cc1ccc(C)c(OCCn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)c1 408566175 DXPKJAZGTHLQDL-UHFFFAOYSA-N 404.510 4.532 0 40 HJAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCCOc1ccccc1)c1ccccc1 408705910 QDONNMDDCDQFBT-LJQANCHMSA-N 402.494 4.975 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)cc1C 409183289 RFAVVWHDLWJRKV-UHFFFAOYSA-N 411.841 4.825 0 40 HJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1cc(Br)cs1 1775977271 HZSCNHZZOBJHNI-AWEZNQCLSA-N 408.342 4.703 0 40 HJAB CCOc1ccc2cc3c(N)c(C(=O)Nc4cc(C)ccc4OC)sc3nc2c1 891605 WSERIYOYFPWYOO-UHFFFAOYSA-N 407.495 5.000 0 40 HJAB CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)c1ccc(F)cc1 933462 BBGLFYVWMXBVIV-UHFFFAOYSA-N 412.417 4.721 0 40 HJAB CC1(C)Oc2ccc(C(=O)NC3CCCCC3)cc2N(Cc2ccccc2F)C1=O 1342340 SCVHGKVFKTZTSD-UHFFFAOYSA-N 410.489 4.592 0 40 HJAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc(C)cc2)cc1 2321388 BYEMLRZVRGTYQL-UHFFFAOYSA-N 400.478 4.850 0 40 HJAB Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2cccc(Cl)c2)cc1 2329536 JQEZEUOKRDBBHI-UHFFFAOYSA-N 401.919 4.940 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1F)N(CCCOC(C)C)C3=O 2412906 PFEHFPAGZHQRAK-QFIPXVFZSA-N 423.484 4.909 0 40 HJAB CC(C)(C)OC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 3312016 XAYBLBJBVKUMKM-UHFFFAOYSA-N 405.907 4.674 0 40 HJAB O=C(CN(Cc1ccco1)C(=O)C1CCCCC1)Nc1ccccc1Br 3414021 YFQUSBYNHJEOAX-UHFFFAOYSA-N 419.319 4.590 0 40 HJAB O=C1/C(=C/c2ccc(OCc3cccc(F)c3)cc2)NC(=S)N1C1CCCCC1 3662795 FLLVUJVDRWZNKF-STZFKDTASA-N 410.514 4.795 0 40 HJAB O=C(N[C@@H](C(=O)O)C12CC3CC(CC(C3)C1)C2)C(c1ccccc1)c1ccccc1 4070901 OTCJPZJTUKWAFA-MHLWUJJFSA-N 403.522 4.604 0 40 HJAB Cc1ccn(-c2ccc(NS(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)cc2)n1 4727356 VEYYPZHEROSUAM-UHFFFAOYSA-N 401.491 4.553 0 40 HJAB Cc1oc2cc(OCC(=O)NCc3ccc(F)cc3)ccc2c(=O)c1-c1ccccc1 5497905 FUYOIZBAFZVBRS-UHFFFAOYSA-N 417.436 4.603 0 40 HJAB CCCCn1c(O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 5737748 ZZDMIMADJONFNV-UHFFFAOYSA-N 404.388 4.778 0 40 HJAB O=C(CCC(=O)c1ccc(F)cc1)OCC(=O)N(C1CCCCC1)C1CCCCC1 5753998 ZDCFIXNFEQWIBN-UHFFFAOYSA-N 417.521 4.826 0 40 HJAB C[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1ccccc1-c1ccccc1 6138459 FNHSOOHJCFGUCW-MRXNPFEDSA-N 415.522 4.663 0 40 HJAB O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc(Cl)cc3)cc1)C2=O 6332952 IUFAIGQXBYZYJP-UHFFFAOYSA-N 409.850 4.990 0 40 HJAB O=C(O)/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)Sc1nc2ccccc2o1 7365521 RCDHYGQKARQKKK-PDGQHHTCSA-N 407.407 4.745 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 7594157 BNWOEFICOVTATA-UHFFFAOYSA-N 416.399 4.566 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc12 8116103 RZBZVNRYJPVGSZ-CIAFOILYSA-N 400.459 4.957 0 40 HJAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N[C@@H]3CCCc4ccccc43)n2)cc1 8484226 SYYKEQGHHPERIS-FOIQADDNSA-N 406.555 4.709 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)c1C 8810818 PXSRUYAUGOZRMC-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccc2ccccc2c1 8901263 AJRHHSHJRKDMEU-QFIPXVFZSA-N 414.596 4.797 0 40 HJAB CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)nn12 9226381 JOPZAGVLXIVFNM-UHFFFAOYSA-N 418.309 4.974 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccc(C(=O)c3c(C)nc4sccn34)cc2)c(C)c1 9376210 XUYLBXFZMBUHLJ-UHFFFAOYSA-N 419.506 4.570 0 40 HJAB Cc1ccsc1CN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 9544949 DKIQWLBAWDWJNZ-UHFFFAOYSA-N 402.523 4.636 0 40 HJAB Cn1c(SCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccccc21 9672285 GEYJAIYIXMXFFW-HNNXBMFYSA-N 422.579 4.681 0 40 HJAB CCONc1nc(CSc2ccccc2)nc2sc(C(=O)OCC)c(C)c12 10032236 MNOYQANRWYCOAM-UHFFFAOYSA-N 403.529 4.832 0 40 HJAB COc1ccccc1C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccc(C)cc1 10059796 GWXXUXBXSROFJF-DHIUTWEWSA-N 424.504 4.976 0 40 HJAB Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3cccc(F)c3)c2c1 10272824 UYEIMFRTQLHJIZ-UHFFFAOYSA-N 415.468 4.700 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3F)c2C)cc1 10314743 DHHZQZGQJXGYRY-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2C)cc1 10371997 ZYGJHOFQCAVKSG-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CCOc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1OCC 10543980 RILULABPJXFIQE-LBPRGKRZSA-N 418.342 4.830 0 40 HJAB Cc1sc(NC(=O)c2ccc3c(c2)OCCO3)nc1-c1ccc(OC(F)F)cc1 10955759 SOBIQDOMHVAYEP-UHFFFAOYSA-N 418.421 4.743 0 40 HJAB CCn1/c(=N\C(=O)c2ccc(Cl)s2)sc2cc(Br)ccc21 12180848 PXQLDLFHTVATTK-SAPNQHFASA-N 401.738 4.941 0 40 HJAB O=C(Cc1ccccc1)NCCCc1nc2ccccc2n1Cc1ccccc1F 13031044 JVJVMTMDEIRRGH-UHFFFAOYSA-N 401.485 4.515 0 40 HJAB O=C(NC1CCCC1)[C@H](c1cccnc1)N(C(=O)c1cccs1)c1ccc(F)cc1 13561437 OIBWQDIZFVGPQX-NRFANRHFSA-N 423.513 4.729 0 40 HJAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc(C)c1C 13879580 ZHTRBVFCKMZIOG-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB Fc1ccc(/C=C/c2nc(SCc3cc(Cl)c4c(c3)OCCO4)n[nH]2)cc1 14897956 SRHXAXQYWZFECH-ZZXKWVIFSA-N 403.866 4.831 0 40 HJAB O=C(Nc1ccc2ccccc2c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 15415852 WMNCDOFDPTVBRY-UHFFFAOYSA-N 405.457 4.850 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)cc1OC 16006533 XFWFUOPSVCDFRO-UHFFFAOYSA-N 410.282 4.781 0 40 HJAB CN(C(=O)C1CCCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 19586788 RXJHPRZUJNLLJG-UHFFFAOYSA-N 409.555 4.652 0 40 HJAB O=c1[nH]c2ccccc2n1CCCSc1ncnc2c(Cl)cc(Cl)cc12 22636454 JLHCBVMJJYGRIR-UHFFFAOYSA-N 405.310 4.762 0 40 HJAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccsc4)CC3)c3ccccc3n2)o1 23968253 FWSGKWFAAXFUIG-UHFFFAOYSA-N 417.534 4.823 0 40 HJAB Cc1nc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n(C2CCCCC2)c1C 24932691 JKTJOVBEBJHMTD-MRXNPFEDSA-N 415.559 4.896 0 40 HJAB O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccc(Oc2ccccc2Cl)cc1 25498311 KGSYNPUWHJSPRU-UHFFFAOYSA-N 422.790 4.952 0 40 HJAB CCOc1ccc(-c2nonc2NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1C 27741055 FODHRUOMIMRWAJ-UHFFFAOYSA-N 415.877 4.731 0 40 HJAB Cc1ccc(Cn2cc(Br)c(NC(=O)[C@@H]3C[C@H]3c3ccccc3)n2)cc1 28230915 ZFJLFEDZNRIKLC-ZWKOTPCHSA-N 410.315 4.745 0 40 HJAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)COc1ccc(Cl)cc1 32091390 DGIQVDNAZVKMPD-UHFFFAOYSA-N 409.829 4.569 0 40 HJAB CC(C)CCn1c(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)nc2ccccc21 32775994 NXAIVCSRUUFDSS-MRXNPFEDSA-N 422.554 4.548 0 40 HJAB C[C@H](SC(F)(F)F)C(=O)Nc1ccc(Br)cc1Br 36392298 FZHJFAVGZOLRTF-YFKPBYRVSA-N 407.049 4.792 0 40 HJAB COc1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F 36616733 YXETYFMCJPAORH-UHFFFAOYSA-N 402.429 4.698 0 40 HJAB CCN(CC)Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 36748401 MUTSMZSWEKCZQW-UHFFFAOYSA-N 406.505 4.594 0 40 HJAB COc1ccc(NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c3c2CCC3)cc1 40073355 ILDDSAISPFXSIK-UHFFFAOYSA-N 401.388 4.641 0 40 HJAB Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@@H](C)c1ccncc1 40130183 GQKKVIYXOZCCOI-LBPRGKRZSA-N 403.313 4.611 0 40 HJAB O=C(c1ccc(CS(=O)(=O)c2ccccc2)cc1)N(Cc1ccc(F)cc1)C1CC1 40131564 KUQHTFCBWKNTPW-UHFFFAOYSA-N 423.509 4.604 0 40 HJAB Cc1cccc(-c2noc(-c3ccccc3OCC(=O)N(C)Cc3ccccc3)n2)c1 46012097 OGCKWUIRBSGXRH-UHFFFAOYSA-N 413.477 4.749 0 40 HJAB Cc1cc(NC(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)ccc1N(C)C 61750687 HICSUXFBZCRRRD-UHFFFAOYSA-N 413.525 4.781 0 40 HJAB NC(=O)c1c(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)sc2c1CCCC2 70461125 DTVZSSPEZBGJFJ-UHFFFAOYSA-N 402.947 4.830 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N(C)c3ccccc3)nc2)cc1 72214208 FNCBBXSTLRPMPC-QFIPXVFZSA-N 407.539 4.684 0 40 HJAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)CCc2ccccc2)n1 72376899 KZHSAFSDOOQXRP-OAQYLSRUSA-N 404.489 4.551 0 40 HJAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)CC1 95448227 NVPZLPPCCDQVDT-UHFFFAOYSA-N 423.724 4.938 0 40 HJAB O=C1CN(C(=S)NCc2ccccc2)[C@@H](c2ccc(Cl)cc2)c2ccccc2N1 95945173 FVTGZLCIYLZJSC-QFIPXVFZSA-N 421.953 4.758 0 40 HJAB CCOc1ccccc1C(=O)NC[C@H]1CC[C@H](c2nn(C)cc2-c2ccncc2)CC1 100744874 KSIWJZZANODFRU-PUZFROQSSA-N 418.541 4.585 0 40 HJAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@H]1C4=C[C@H]3[C@H]3C(=C[C@H]31)CCCCCC4)C2 102447002 FYSSUZWVUGQKLY-XFVMPTMTSA-N 421.585 4.761 0 40 HJAB O=C(Sc1ccc(Cl)cc1)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 102513050 YQCVOFRBRQSDGM-OYUDYFSCSA-N 409.894 4.584 0 40 HJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2OC)CC1 216235930 GQOCKSMESXWBEV-HXUWFJFHSA-N 404.963 4.568 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219615669 UCRQPIQVZYOOEH-MRXNPFEDSA-N 406.269 4.517 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222855094 WNVYDBDWJBMYST-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(N(C)C)cc1 222930191 ATAVJQFNWSSTSC-PKTZIBPZSA-N 419.598 4.567 0 40 HJAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1OCC 223024723 YSFOCNNHGRRWBX-IBGZPJMESA-N 405.922 4.920 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1Cc1ccncc1 223511624 QJRIWRQOPSZRQA-GOTSBHOMSA-N 412.518 4.909 0 40 HJAB Cc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@H](C)C(=O)NC2CCCC2)c1 223806157 SIPIMZGVJVSKSK-OAQYLSRUSA-N 406.570 4.630 0 40 HJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC 224533204 HXTRIPJXERMCPT-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C)c(Cl)c3)o2)c(OC)c1 224867788 HMQDNKNMAOYXOQ-UHFFFAOYSA-N 400.862 4.892 0 40 HJAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1c(F)cccc1F 224877318 YPKNWENGJBOOQG-UHFFFAOYSA-N 407.214 4.954 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 224977187 CMJLYZHLOJYQLT-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB S=C(NCCNc1ccnc2cc(Cl)ccc12)Nc1ccc2sncc2c1 225214497 MUACHDZUZOHERT-UHFFFAOYSA-N 413.959 4.896 0 40 HJAB CCCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@H](C)C1 225662810 UBNRRRAXCYOQDU-RDPSFJRHSA-N 402.579 4.865 0 40 HJAB CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OC)c2)CCC[C@@H](C)C1 225853619 MMVOCTBWAGBLHR-HXOBKFHXSA-N 405.535 4.822 0 40 HJAB S=C(Nc1nc(Cl)cc(N2Cc3ccccc3C2)n1)NC1CCCCCC1 226011401 CFIKZJNNLMGQBP-UHFFFAOYSA-N 401.967 4.659 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCC[C@H](C)C1 260812500 DGVTZKMVEXOKIA-UPUUWEMXSA-N 416.606 4.967 0 40 HJAB CC1=C(C(N)=O)[C@H](c2cccc(Cl)c2Cl)NC(SCc2cccc(C)c2)=N1 408986344 BWECLFDVDPEDPR-SFHVURJKSA-N 420.365 4.995 0 40 HJAB Cc1ccc(OCc2nn(CC(=O)Nc3ccc4ccccc4c3)c(=S)o2)cc1 409155116 BTJGMGPLZIXVNA-UHFFFAOYSA-N 405.479 4.885 0 40 HJAB O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N1CCCCCC1 409202190 PUXBJTUGPINYDN-UHFFFAOYSA-N 420.582 4.547 0 40 HJAB CC(C)c1nnc2ccc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)nn12 524733341 JAPRDGPICAMXCC-UHFFFAOYSA-N 419.510 4.771 0 40 HJAB CC(=O)n1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1Cl 878137 RXDKOGZDEHADQW-UHFFFAOYSA-N 414.918 4.606 0 40 HJAB CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Br)cc2)C1=O 1104627 FPCNWCTYTLBQMX-MHWRWJLKSA-N 404.285 4.694 0 40 HJAB CCOc1cccc(=O)c2c(C)n(-c3ccc(I)cc3)c(C)c12 1106353 OXHVTFWCTZKXJI-UHFFFAOYSA-N 419.262 4.611 0 40 HJAB CCOc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1OCC 1299639 FCUYOBJRESKODE-APSNUPSMSA-N 407.800 4.760 0 40 HJAB CCc1ccccc1NC(=S)Nc1cc(OC)c(NC(=O)C(C)C)cc1OC 1324332 QHULRIMFOCLCSE-UHFFFAOYSA-N 401.532 4.670 0 40 HJAB CCCc1nc(SCC(=O)Nc2cc(Cl)ccc2OC)c2ccccc2n1 1342774 NUIVIDSJDNJNKC-UHFFFAOYSA-N 401.919 4.975 0 40 HJAB Cc1cc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CC[C@H](C)C4)no1 1375681 CRAFLKAIXAHKQQ-NSHDSACASA-N 416.572 4.967 0 40 HJAB Cc1ccc(NC(=O)c2c(N)n(CCc3ccccc3)c3nc4ccccc4nc23)cc1 2291384 BRYJMKCCPHOKQQ-UHFFFAOYSA-N 421.504 4.970 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(F)c2)N1c1nccs1 2393379 LQNHLGQNIIUEHW-INIZCTEOSA-N 412.829 4.792 0 40 HJAB CCc1ccc(NC(=O)CN2C(=O)C(c3ccc(C(C)(C)C)cc3)=NC2(C)C)cc1 2694296 YIYONBUXDUQBIG-UHFFFAOYSA-N 405.542 4.553 0 40 HJAB COc1cc2c(cc1NC(=O)[C@H](C)NCCc1ccc(F)cc1)oc1ccccc12 3287442 XMCCCCGCKFLYEM-HNNXBMFYSA-N 406.457 4.893 0 40 HJAB COc1ccc(CCC(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1 5136256 MKSNVKKNVIRXTL-UHFFFAOYSA-N 420.534 4.921 0 40 HJAB Nc1nnc(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)s1 5636799 ONEKGMCDLONYDJ-CYBMUJFWSA-N 410.446 4.611 0 40 HJAB COCCn1c(C)cc(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1C 5839626 VJKCUNUBHULGQY-UHFFFAOYSA-N 417.933 4.643 0 40 HJAB CCOC(=O)c1ccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)o2)cc1 6297368 JMFNXIIOJQAYNU-BRJLIKDPSA-N 403.360 4.983 0 40 HJAB Cc1ccc(C)c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1 6426350 SCCLCGLHDMILMB-QHCPKHFHSA-N 406.507 4.923 0 40 HJAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(Br)c1 6563788 APZKDNSJLJFDMI-AWEZNQCLSA-N 419.747 4.980 0 40 HJAB CC(=O)N(c1ccccc1)c1nc(CSc2nnc(NC3CC3)s2)cs1 7577698 XYMCPZBENZEJBK-UHFFFAOYSA-N 403.558 4.546 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccc1C 7669949 NBFHULZKWFZJDA-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)CCCC(=O)Nc1cccc2ccccc12 7939912 ZNCDINGKFPXXAQ-UHFFFAOYSA-N 418.493 4.747 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc3ccccc23)cc1C 7939922 DLRWIOPYDPMTRH-UHFFFAOYSA-N 418.493 4.747 0 40 HJAB COc1cc(NC(=O)c2ccccc2Cl)c(C(=O)NC2CCCCC2)cc1OC 8708438 ZHJDPNLOXHIRSJ-UHFFFAOYSA-N 416.905 4.672 0 40 HJAB COc1cc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1O 9171906 WRRYPSKSUFRAEI-IBGZPJMESA-N 411.461 4.728 0 40 HJAB CCCC[C@H](Sc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1)C(=O)O 9324335 SNMYWZVZEOFEPS-NSHDSACASA-N 400.913 4.571 0 40 HJAB C[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ncc(Cl)cc1Cl 9882596 BOGFXINQLQABCF-SECBINFHSA-N 421.202 4.520 0 40 HJAB O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1C[C@H]1CCCO1 10145615 MDPHKFUDWBZUOK-MRXNPFEDSA-N 420.456 4.887 0 40 HJAB COc1ccc(-c2ccc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)nn2)cc1 12140456 RXEVISQMMHQYNX-UHFFFAOYSA-N 419.428 4.902 0 40 HJAB CCc1onc(C)c1-c1nc(NCc2ccccc2OC)ncc1-c1ccncc1 12233250 KCXTXZUEDNYJAC-UHFFFAOYSA-N 401.470 4.685 0 40 HJAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1 12239555 XUXWOQFLZLKUOM-UMVBOHGHSA-N 408.468 4.755 0 40 HJAB Cc1ccc([C@H](C)C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)cc1 12254233 NCPCMIXWAWDKQA-HTAPYJJXSA-N 400.526 4.780 0 40 HJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)cc4OC)cc3n2)cc1 12651348 KHXHEKNEIQTSDY-UHFFFAOYSA-N 416.481 4.561 0 40 HJAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 14164583 LGHOXNHJTCBGDN-CYBMUJFWSA-N 424.328 4.733 0 40 HJAB COc1ccc(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c(OC)c1OC 16490263 LTIOSYIHZOSQCK-QGZVFWFLSA-N 405.494 4.799 0 40 HJAB COc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1 18074513 YIJIKDDSZKLWJQ-QFIPXVFZSA-N 400.478 4.747 0 40 HJAB biogenic CCc1ccccc1Nc1nc([C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)c2sccn12 19523086 SWQIFVILCIOVDA-PKOBYXMFSA-N 424.570 4.587 0 40 HJAB Cc1cccnc1N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O 19939513 PSZGMGSVQRWOEL-QFIPXVFZSA-N 424.426 4.550 0 40 HJAB Cc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2c(C)cc(C)cc2C)nc1 20407238 FKUYGSAZWCCHCP-UHFFFAOYSA-N 403.482 4.585 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2cccc(C)c2)cc1 22275237 PMLYJYYGPUYBRW-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB Cc1ccc(CN(C)C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 32910018 HGJLQHRKAAAPRI-UHFFFAOYSA-N 414.461 4.619 0 40 HJAB Cc1cc(C)cc(-c2nn(CN3CCC[C@@H]3c3nnc4n3CCCCC4)c(=S)o2)c1 32935385 FFAGEQLFZRTBPS-GOSISDBHSA-N 424.574 4.602 0 40 HJAB CC[C@H](C(=O)Nc1cccc(Cl)c1C)n1ncc(-c2ccc(Cl)cc2)nc1=O 33324687 AFEWHWGHBBYCNE-GOSISDBHSA-N 417.296 4.510 0 40 HJAB COc1cc(CN[C@H](C)C(C)(C)C)ccc1OCC(=O)Nc1ccccc1Cl 36612727 UAHUKHMEMWKPIA-OAHLLOKOSA-N 404.938 4.890 0 40 HJAB C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)Cc1csc(-c2ccco2)n1 40107149 FLTFKBBTWHPKBZ-QGZVFWFLSA-N 409.555 4.636 0 40 HJAB O=C(N1CCN(c2ccccc2)CC1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 41779145 IMCWWXJJVRPIAO-PRSBGKBPSA-N 400.566 4.873 0 40 HJAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 44017715 ALXGBUWUIVXDFR-UHFFFAOYSA-N 404.392 4.873 0 40 HJAB Cc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2C)s1 44086698 NKUOLQFZUFAZNZ-UHFFFAOYSA-N 421.551 4.738 0 40 HJAB O=C(CC(c1ccccc1)c1ccccc1)N1CC(c2nc(-c3ccccc3)no2)C1 49031907 LQHFEUZMTQQQJY-UHFFFAOYSA-N 409.489 4.885 0 40 HJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)NC1C2CC3CC(C2)CC1C3 57313997 BGJDGYFSDJJIIT-VQHVLOKHSA-N 406.551 4.775 0 40 HJAB COc1cccc([C@H]2CCCN2Cc2cc(=O)oc3cc(Br)ccc23)c1 57541915 WNSLIMGFTPLIKP-LJQANCHMSA-N 414.299 4.901 0 40 HJAB C[C@H]1CCc2c(sc3nc([C@@H](C)N4CC=C(c5ccccc5)CC4)[nH]c(=O)c23)C1 58143667 FSEMFGGOALFGIN-JKSUJKDBSA-N 405.567 4.960 0 40 HJAB FC(F)(F)c1cccc(-c2noc(CNc3cc4c(cc3Cl)OCCO4)n2)c1 58355163 DRTBLVOQUNSVLA-UHFFFAOYSA-N 411.767 4.792 0 40 HJAB O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(OCc2ccccn2)cc1 59779690 HLWQDOUOZCORDA-UHFFFAOYSA-N 401.293 4.826 0 40 HJAB Cc1ccc(C)c(Cn2nc3c4cc(-c5ccc(C(C)C)cc5)nn4ccn3c2=O)c1 67260558 QHUHGTFAMNHERO-UHFFFAOYSA-N 411.509 4.599 0 40 HJAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)c2csc3c2CCCC3)CC1 72335411 HMSHXOZBQUJGEO-UHFFFAOYSA-N 410.564 4.972 0 40 HJAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1 72354843 MMSQERWJABEKFS-GOSISDBHSA-N 418.463 4.988 0 40 HJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1F)c1ccc(Cl)nn1 83888387 MPPPBGSRRIXTMR-CYBMUJFWSA-N 420.271 4.923 0 40 HJAB CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2C[C@@H](C)OC(C)(C)C2)cc1 95377511 ZTNAVOHAHHBOGF-OAHLLOKOSA-N 400.544 4.763 0 40 HJAB O=C(O)C[C@H](CC(=O)N(CCc1cccs1)Cc1ccco1)c1cccs1 96024606 KIPDVZVDLILQFQ-HNNXBMFYSA-N 403.525 4.623 0 40 HJAB COc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NC2CCC2)c2ccccc23)cc1 96052761 VIGZRICNOOXBMD-NRFANRHFSA-N 418.581 4.775 0 40 HJAB CSc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 102597275 AOIRXVZAKUNURP-QKKBWIMNSA-N 404.495 4.771 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918927 PGSWBIZOBGMFIQ-OZZKZOCUSA-N 416.631 4.567 0 40 HJAB COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](Cc1ccc(OC)cc1)C(=O)O 147006308 JYTPPUVGKXKUAC-QFIPXVFZSA-N 417.461 4.529 0 40 HJAB Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)o2)cc1 205732518 SMJLKMBFZXYPTR-MHWRWJLKSA-N 417.508 4.727 0 40 HJAB CN(CCCC(=O)Nc1ccccc1Oc1ccccc1)S(=O)(=O)c1ccccc1 219718588 BZXDGBXTEOQVFV-UHFFFAOYSA-N 424.522 4.518 0 40 HJAB CCc1cccc(C)c1NC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 222666480 ROGRKNVVOMOBHB-UHFFFAOYSA-N 422.978 4.704 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 223240628 GIFWRHGKLPOBKN-GOSISDBHSA-N 416.562 4.642 0 40 HJAB CC(C)c1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4ccccc4c3)n2)cc1 223592307 WFMDQWOZXTZRCX-UHFFFAOYSA-N 421.522 4.834 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCOc1ccc2ccccc2c1 223628332 NJQOGYMNCFROFU-OAHLLOKOSA-N 414.299 4.565 0 40 HJAB CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 223925760 LOADJIBTLMWJDU-UHFFFAOYSA-N 410.495 4.527 0 40 HJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)o1 224483589 GIQJMTLAPVINFO-ROUUACIJSA-N 414.328 4.923 0 40 HJAB CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 224553848 PNKNBZPZDMFKMO-UHFFFAOYSA-N 424.522 4.837 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1Br 224876624 HZHBREJCXDUUAL-UHFFFAOYSA-N 404.182 4.674 0 40 HJAB COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCC1 225009789 AHEAHFZTJNFQTO-DHIUTWEWSA-N 418.566 4.796 0 40 HJAB COC(=O)c1cccc(NC(=S)NCCSCc2ccc(Cl)cc2)c1C 225302936 PYFXWYAWWHVGMZ-UHFFFAOYSA-N 408.976 4.655 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 225575211 YBIUSEJAJIKAHO-URXFXBBRSA-N 408.586 4.876 0 40 HJAB Nc1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)c(Cl)c1 226343673 WFLSTFBAEQUYEK-UHFFFAOYSA-N 401.489 4.991 0 40 HJAB Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@H](C)C5=C[C@H]43)C[C@H]2C)c1 248121605 SAOYGWVUOAMNQH-MOSDJLJKSA-N 422.613 4.820 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1C[C@H]1CCCO1 260927089 YCHPSNAKELJTJI-STZQEDGTSA-N 410.587 4.540 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C(=O)N1CCCCC1 408617880 DWXWTVCLAXGNID-UHFFFAOYSA-N 400.544 4.545 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 408673926 WDLOJUGAKCVEFD-KNXBSLHKSA-N 418.537 4.989 0 40 HJAB COc1ccc(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn23)cc1OC 408674716 BNSFFQXPYFGJKA-UHFFFAOYSA-N 414.461 4.753 0 40 HJAB Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O 409333557 ULSZYUDQOWPRFE-LICLKQGHSA-N 400.525 4.855 0 40 HJAB O=C(c1ccc(Sc2ccc(Cl)cc2)cc1)N1CCS[C@H]2COCC[C@@H]21 540214743 HNHYINBBUMMWNG-OALUTQOASA-N 405.972 4.838 0 40 HJAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 585293074 WEQRINYXZLYWRV-JBVUFVISSA-N 419.554 4.631 0 40 HJAB Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](c1ccccc1F)[C@H](C)O 1640726322 UOXJPFQVEIYGLE-BBATYDOGSA-N 422.378 4.660 0 40 HJAB COC(=O)c1ccc(Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)cc1 645745 CSKHFUYCQPOLJN-UHFFFAOYSA-N 404.491 4.577 0 40 HJAB COc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(C)cc3)cs2)cc1 932695 MCROYCKAOMTEMK-HXUWFJFHSA-N 408.523 4.953 0 40 HJAB CC(C)c1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)C[C@H](C)CC3 1375666 WUUUGCKOLHLTAJ-CYBMUJFWSA-N 415.584 4.941 0 40 HJAB Cc1cc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c2c(-c3ccccc3)cc(=O)oc2c1 2227803 YZJMJBUZMMLBIY-OAHLLOKOSA-N 423.465 4.587 0 40 HJAB biogenic CC1(C)c2cc(Br)ccc2N2CCC(=O)N[C@]21/C=C/c1ccc(F)cc1 2298490 YCEPCDDQXQSTFN-FKVRIVCVSA-N 415.306 4.615 0 40 HJAB Cn1c(COc2ccc3ccccc3c2)c(Br)c(=O)n1-c1ccccc1 2561719 HTCBKMGQQNZHAQ-UHFFFAOYSA-N 409.283 4.671 0 40 HJAB CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)c1 2704644 PHFYTOUYYHJTPO-JOCHJYFZSA-N 412.445 4.645 0 40 HJAB COc1ccc(CCN(C)C(=S)Nc2ccc(SC(F)F)cc2)cc1OC 3334480 HFWKRXZNQNQNHK-UHFFFAOYSA-N 412.527 4.890 0 40 HJAB O=C(COc1ccc(Br)cc1Cl)Nc1ccccc1Br 3445071 QHOJOTZTQOLCOG-UHFFFAOYSA-N 419.500 4.883 0 40 HJAB O=C(CSc1cn(Cc2ccccc2Cl)c2ccccc12)NC[C@H]1CCCO1 4060858 DALZNPPAHKIMNL-QGZVFWFLSA-N 414.958 4.730 0 40 HJAB CC1(C)C[C@H](NC(=O)c2ccccc2F)C[C@@](C)(CNC(=O)c2ccccc2F)C1 4628621 AIQJSODFQSVULY-UPCLLVRISA-N 414.496 4.710 0 40 HJAB CCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@@H]1c1ccc(Cl)cc1 4816965 NEWUKJLXTOWTEJ-MOPGFXCFSA-N 410.905 4.808 0 40 HJAB O=C(c1ccccc1)N(Cc1cc(-c2ccccc2)cn2nnnc12)C1CCCCC1 5059594 QGVUDQBWCAULSD-UHFFFAOYSA-N 411.509 4.766 0 40 HJAB C[C@H]1CCCCN1C(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 5185147 CMLUNZPFZLDEOD-KRWDZBQOSA-N 407.466 4.570 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc2c1CC[C@H](CC)C2 5876134 BPPTXVBJVFFESV-ZDUSSCGKSA-N 417.527 4.709 0 40 HJAB CC(C)C(NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)C(C)C 6325205 BYJAUKLECYPCOF-VWLOTQADSA-N 424.610 4.914 0 40 HJAB O=C(NC1CC1)[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1 6977768 GUKUFKIXEQLRRZ-HXUWFJFHSA-N 416.506 4.639 0 40 HJAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1C 8836436 CCHQUTDYLZASFF-UHFFFAOYSA-N 422.485 4.930 0 40 HJAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21 8840764 WLRHHRQDNMHPDK-UHFFFAOYSA-N 408.523 4.720 0 40 HJAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2csc(-c3ccsc3)n2)C1=O 9155632 OTSLZIFVKKRGFA-QFIPXVFZSA-N 419.531 4.992 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)o2)C1=O)Nc1ccccc1 9233968 FVGJBTBCOSHWJO-CPNJWEJPSA-N 404.447 4.622 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 9451780 YTAVVOCPAQPSIP-QHAWAJNXSA-N 422.843 4.530 0 40 HJAB Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccccn1)O2 10215177 YYXLTFWWXAOFCJ-PGRDOPGGSA-N 405.841 4.706 0 40 HJAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 11667265 UMIVNAJOIBSMRA-HNNXBMFYSA-N 409.873 4.853 0 40 HJAB Cc1cccc(OCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667410 YNSJTYLUJHDEGW-SFHVURJKSA-N 403.482 4.898 0 40 HJAB C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1cccnc1 12543558 HDFISTOMIHJUGT-QGZVFWFLSA-N 423.476 4.626 0 40 HJAB CCCc1noc(COC(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)n1 12775403 RZXZDVADQWLHTH-UHFFFAOYSA-N 416.861 4.620 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 13037853 ALLDKEYQIQYRDA-VUJIGMQQSA-N 401.503 4.761 0 40 HJAB COc1ccc2cc(CNc3ccc(NC(=O)C4CCCCC4)cc3)c(=O)[nH]c2c1 13561386 CZQAEACJUBIVCB-UHFFFAOYSA-N 405.498 4.668 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 14012150 CHNWLSVXRPFPEV-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccccc1Br 14731717 RMGAWEYFAFGMNM-UHFFFAOYSA-N 407.214 4.954 0 40 HJAB Cc1ccc([C@@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CCC(C)CC2)o1 15860310 UMNASQSEAGDWPQ-HXUWFJFHSA-N 418.965 4.826 0 40 HJAB Cc1ccc(NC(=O)CCc2csc(NC(=O)NC3CCCCC3)n2)c(C)c1 16978809 FDKOMNXQCWEVBO-UHFFFAOYSA-N 400.548 4.785 0 40 HJAB Cn1ccnc1-c1nc(NCCCc2ccccn2)ncc1-c1ccc(Cl)cc1 19291664 MLARKYGZXUWTEH-UHFFFAOYSA-N 404.905 4.637 0 40 HJAB COc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1 19359534 AUQPLTORLKBDDI-UHFFFAOYSA-N 402.538 4.611 0 40 HJAB O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 19370365 DEONCXUXOAKGMU-ATIYNZHBSA-N 417.528 4.533 0 40 HJAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3Cc3c[nH]nc3C(C)(C)C)cc2N1 19520773 RBCCALCZSYUCQT-HYVNUMGLSA-N 424.515 4.938 0 40 HJAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCCN1CCc2ccccc21 20495048 AKWOQCPRDVYEAR-UHFFFAOYSA-N 409.382 4.796 0 40 HJAB CC(C)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2cccc(Cl)c2)c2ccccc21 20745768 JCOACCMXLVTLKN-QHCPKHFHSA-N 420.900 4.806 0 40 HJAB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)c(OC)c1 21580342 KIVYVAMNOOEGOS-UHFFFAOYSA-N 403.438 4.508 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)C1c2ccccc2Oc2ccccc21 21964521 LYFWNHAJTPFHAH-UHFFFAOYSA-N 409.489 4.828 0 40 HJAB COc1ccccc1CNc1ncccc1C(=O)Nc1ccc(C(F)(F)F)cc1 22053646 HJACBBWJWGJVDV-UHFFFAOYSA-N 401.388 4.973 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(OC)c1 32900606 QPGDNULFJJHIIJ-WYMLVPIESA-N 417.465 5.000 0 40 HJAB COc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)c(OC)c1OC 32963901 IFFOIFCXIZNODL-UHFFFAOYSA-N 405.494 4.598 0 40 HJAB C[C@@H]1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)[C@@H]2CCCC[C@H]12 40133826 ZHYUYIZENIZSRB-SXSPYAJSSA-N 411.567 4.701 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)c(Br)c1 40146693 HOFKUTYXKOIYSY-UHFFFAOYSA-N 419.300 4.746 0 40 HJAB O=C(COC1CCCC1)N[C@@H](c1ccccc1)c1ccc(Br)cc1F 40154991 QUBSSJODZRKRKM-FQEVSTJZSA-N 406.295 4.753 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)Nc2nn3c(C4CCCCC4)nnc3s2)cc1 41108815 KMALUEOQTFHJSC-UHFFFAOYSA-N 413.547 4.549 0 40 HJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 45834511 QELRKJKMBRCPQO-LLVKDONJSA-N 414.918 4.754 0 40 HJAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NCc1cccc(C(F)(F)F)c1 51364601 HUAXGGKVSUAOJX-SFHVURJKSA-N 412.411 4.542 0 40 HJAB Cc1csc(CNC(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)n1 58313761 BNQGABAOJOPIOR-UHFFFAOYSA-N 419.304 4.723 0 40 HJAB CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 59413257 FRHUMRLAGOZROS-AWEZNQCLSA-N 421.584 4.877 0 40 HJAB Cn1ccc2ccc(C(=O)N3CCc4[nH]c5c(Br)cccc5c4C3)cc21 70666383 RXKOPTIWHBMZGA-UHFFFAOYSA-N 408.299 4.621 0 40 HJAB biogenic CC(C)(C)c1cc2nc([C@H]3CCCN(C(=O)c4ccco4)C3)cc(C(F)(F)F)n2n1 72341104 IKMYDXPTGXIPBA-ZDUSSCGKSA-N 420.435 4.658 0 40 HJAB O=C(COc1ccccc1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359479 DHNRWOSBMMXTNY-UHFFFAOYSA-N 407.901 4.582 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1cc2ccccc2oc1=O 90593093 KVSWEJYBVMFESG-UHFFFAOYSA-N 410.882 4.808 0 40 HJAB Cc1nc(S(=O)(=O)Cc2ccccc2C(F)(F)F)n(C2CCCCC2)c1C 95393426 UMSDGBOFMSDVEP-UHFFFAOYSA-N 400.466 4.998 0 40 HJAB O=C1C[C@H](NC(=O)c2cccnc2Oc2ccc(Br)cc2)c2ccccc21 95997285 ZXMIGYWHERTDHC-SFHVURJKSA-N 423.266 4.694 0 40 HJAB O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 98064866 HDEYYFJHKTUJBU-CCEZHUSRSA-N 418.946 4.815 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccnc4)c3C)N21 222682145 LAPFCBLMMRWYFI-ZPMCFJSWSA-N 403.555 4.864 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 223395903 DCHCCXYJAFCJKM-NRFANRHFSA-N 414.977 4.913 0 40 HJAB CCCCCNc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223416732 VLRMFWHNSJJEIE-UHFFFAOYSA-N 410.923 4.530 0 40 HJAB COc1ccc(CN2CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1OCc1ccccc1 224086650 ZZVRTZNHXPQCIY-ICDZXHCJSA-N 418.581 4.604 0 40 HJAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccccc1OC 224248640 ZPGTYWFDFYFMOA-INIZCTEOSA-N 409.457 4.913 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 224703623 TXCRDAWPARAICH-INIZCTEOSA-N 421.368 4.788 0 40 HJAB Cc1cc(C)n(Cc2ccc(C(=O)NCCSCc3cccc(Cl)c3)cc2)n1 225286389 LHIJTRPBPVECID-UHFFFAOYSA-N 413.974 4.865 0 40 HJAB Cc1cccc(Nc2ccc([C@H]3CN(CCCOc4ccccc4F)CCO3)nc2)n1 257253788 KAHUXKHCYNTGBN-HSZRJFAPSA-N 422.504 4.510 0 40 HJAB CC(C)(C)C(=O)N[C@@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)C2CCCCC2)CC1 257303631 SIACQPYNAFQAJU-ZHALLVOQSA-N 419.635 4.849 0 40 HJAB COc1ccc(OC)c(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccccc3)n2)c1 408699653 YKPODQHYQYWGRI-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3c4ccccc4C[C@@H]23)cc1OC 409001941 RBQBUVHCLZLIBL-PTUXOGIPSA-N 401.462 4.873 0 40 HJAB Cc1ccc(CN(c2ccc(C(=O)Nc3ccccc3C)cc2)S(C)(=O)=O)cc1 409026817 ZADZDUHBPOBARA-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB COc1ccc2ccc(OC)c(/C=C3/C(=O)N(C4CCCCC4)C(=S)N3C)c2c1 409077443 DYAWRRJJWGVTBF-ZHZULCJRSA-N 410.539 4.590 0 40 HJAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[C@@H](Oc2ccncc2Cl)C1 575610623 LMKJAXLBHLMRDQ-QGZVFWFLSA-N 419.868 4.837 0 40 HJAB Cc1nc(CC2CCN(C(=O)C3CCCCC3)CC2)cc(Nc2ncc(C)s2)n1 585262509 CIQXNNMPZJEGFM-UHFFFAOYSA-N 413.591 4.655 0 40 HJAB C[C@@H]1COc2ccccc2CCCCC2(CCN(CC3CCCCC3)CC2)C(=O)N1 643588106 ABVYMMHBWJRJSP-OAQYLSRUSA-N 412.618 4.959 0 40 HJAB O=C(Cc1nsc2ccccc12)N1CCC(c2nc(C(F)(F)F)cs2)CC1 1526679354 SFRMKECXRKLWAL-UHFFFAOYSA-N 411.474 4.720 0 40 HJAB Cc1sc2c(c1C)CN(C1CC(C)(C)NC(C)(C)C1)CN2C(=O)c1ccco1 950090 SSBBPQLERABJBC-UHFFFAOYSA-N 401.576 4.687 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H](NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl 1065172 DQHOILISLFJVTD-MRXNPFEDSA-N 417.745 4.866 0 40 HJAB O=C(COc1ccc(Cl)cc1)N(c1nnc(-c2cccnc2)s1)C1CCCC1 1345622 JWZHDHOLDIIZNM-UHFFFAOYSA-N 414.918 4.608 0 40 HJAB Cc1cccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2ccco2)c1 1365926 VGDNCFRKMWCPGK-SFHVURJKSA-N 408.420 4.674 0 40 HJAB Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)cc1F 1379947 ADEOFQDTXNPPDB-JOCHJYFZSA-N 421.472 4.569 0 40 HJAB CCCSc1nnc2c(n1)O[C@H](c1ccc(OCC)c(OC)c1)Nc1ccccc1-2 2083746 KWRRKRWMGNTGMX-HXUWFJFHSA-N 424.526 4.951 0 40 HJAB CC[C@@H](C)COC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 2394104 JIKVYQSEVPLFKT-CQSZACIVSA-N 402.498 4.976 0 40 HJAB O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccc(OC(F)F)cc1 3274378 AUEUKIIELBVOGH-UHFFFAOYSA-N 413.376 4.876 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cccnc1SC)c1ccccc1 3530037 BQPQLQWWIDNGGU-FQEVSTJZSA-N 422.506 4.657 0 40 HJAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccc(C)cc3)N2C1=O 3636788 GLKVUAJFDILJOY-PZJWPPBQSA-N 420.534 4.777 0 40 HJAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1ccccc1F 4033444 CGHGKJPRZBHKFY-KRWDZBQOSA-N 403.432 4.883 0 40 HJAB COc1ccccc1-c1nnc(SCC(=O)c2ccccc2)n1Cc1ccccc1 4130556 HMFZDBAGDVBUMF-UHFFFAOYSA-N 415.518 4.977 0 40 HJAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Br)cc1 4684692 VOILQDIITWSYKB-GOSISDBHSA-N 412.287 4.651 0 40 HJAB COC(=O)[C@H](C)N1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 4740102 XJJAFZNGKMUBPU-FYSMJZIKSA-N 410.473 4.942 0 40 HJAB Cc1cccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(Cl)cc2)c1 4816437 JAQXQCMYJNHALZ-UHFFFAOYSA-N 403.873 4.603 0 40 HJAB CCOc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2CCc1ccccc1 4883020 RSRWANORXWLERH-FRIKZZABSA-N 407.558 4.835 0 40 HJAB COc1ccc(CC(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 5136894 ZJTAELKHWNJEGD-UHFFFAOYSA-N 400.931 4.682 0 40 HJAB Cc1cccc(C(=O)Nc2ccc3nn(-c4ccc(Br)cc4)nc3c2)c1 5246603 VWJABNDODDMEBM-UHFFFAOYSA-N 407.271 4.744 0 40 HJAB COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2ccc(F)cc2)cc1O 5532988 BZAFBWJGAGQBMJ-UHFFFAOYSA-N 417.440 4.825 0 40 HJAB biogenic Cn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccc(C(C)(C)C)cc1 5857452 LNQHNUXISDFFQB-UHFFFAOYSA-N 416.497 4.789 0 40 HJAB COc1cc2c(cc1OC)CN([C@@H](C)C(=O)Nc1ccccc1-c1ccccc1)CC2 7418444 JEJWTGLIXKBRMN-SFHVURJKSA-N 416.521 4.756 0 40 HJAB COc1ccc([C@@H](CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)NC(C)=O)cc1 8132429 NULVYMFKNGSTJT-AVRWGWEMSA-N 416.521 4.807 0 40 HJAB O=C(COc1ccc(Cl)cc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 8520710 YMCWLFYIAALRAH-INIZCTEOSA-N 402.903 4.541 0 40 HJAB COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(-c2ccccc2)cc1Cl 8768216 NHQPURZXRWBBIJ-UHFFFAOYSA-N 424.884 4.992 0 40 HJAB Cc1c(CC(=O)NCc2ccccn2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8792035 YONDMSDMGCLZRR-UHFFFAOYSA-N 424.456 4.769 0 40 HJAB biogenic O=C(COc1ccc(F)cc1)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 8916909 DSJDADQKWXGARK-GOSISDBHSA-N 412.288 4.719 0 40 HJAB COCCSc1ccccc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 9095503 RCDWZXPQRCNMGW-UHFFFAOYSA-N 412.555 4.740 0 40 HJAB O=C(OCC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1)c1ccc(Cl)nc1 9245119 XHUHRWQTSVGIQW-GOSISDBHSA-N 424.909 4.772 0 40 HJAB Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 9253525 AHFVSHBGVAQPPX-AWEZNQCLSA-N 424.522 4.846 0 40 HJAB CCn1c(SCCOc2ccccc2)nnc1-c1cc(Br)ccc1O 9295582 QNUZEHRXSKZILA-UHFFFAOYSA-N 420.332 4.604 0 40 HJAB CCCCc1ccc(Nc2nc(Nc3cccc(C)c3)nc(N3CCOCC3)n2)cc1 9708897 HMILMYYKRSVBMW-UHFFFAOYSA-N 418.545 4.846 0 40 HJAB COc1cccc(Nc2c(S(=O)(=O)c3ccccc3)cnc3ccc(OC)cc23)c1 9838640 ZNCNLDPPIHVSOP-UHFFFAOYSA-N 420.490 4.828 0 40 HJAB Cc1cccc(N2C(=O)N(Cc3ccc(F)cc3)c3ccccc3S2(=O)=O)c1C 10273268 IECUMQNLQCLITM-UHFFFAOYSA-N 410.470 4.778 0 40 HJAB COC(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)c1 10642677 RBFJACRUDILRNK-UHFFFAOYSA-N 421.478 4.915 0 40 HJAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccc1Br 11523981 FWWUGZUWWLSDHL-UHFFFAOYSA-N 402.317 4.911 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](c1cccc(F)c1)c1nccn1C 12541214 VFBGBPQESIHMFG-KZULUSFZSA-N 422.287 4.539 0 40 HJAB Fc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 12576836 NNYPZDZNCUZTQH-GBXCKJPGSA-N 402.425 4.839 0 40 HJAB O=C(CCNC(=O)c1ccco1)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1 12825079 LGUVTGZUEROTNE-UHFFFAOYSA-N 402.372 4.724 0 40 HJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1cc(C(C)=O)ccc1OC 12875543 PEIJINBJZBREKX-UHFFFAOYSA-N 409.404 4.887 0 40 HJAB CCCOc1ccc(NC(=O)NCC(=O)Nc2cc(C)cc(C)c2)cc1OCCC 12945495 ZQAXAGHQQDKLPC-UHFFFAOYSA-N 413.518 4.641 0 40 HJAB Fc1ccccc1-c1nnc(SCCCc2nc(-c3ccncc3)no2)n1C1CC1 12948532 NHXFILFZDNEEDZ-UHFFFAOYSA-N 422.489 4.589 0 40 HJAB COc1ccc2c(C)c(CC(=O)Nc3cccc(Cl)c3Cl)c(=O)oc2c1OC 13575736 CEYVBSXAOCKPQG-UHFFFAOYSA-N 422.264 4.607 0 40 HJAB O=C(CSc1ccc(F)c(Cl)c1)N1c2ccccc2NC(=O)C12CCCC2 14084146 VXXKTYHDYOZHBU-UHFFFAOYSA-N 404.894 4.869 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)COc1cccc(Oc2ccccc2)c1 14199740 DVQFKQGXMWQXGO-UHFFFAOYSA-N 418.493 4.572 0 40 HJAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1C 14405237 PEWDODXLUONQCB-UHFFFAOYSA-N 404.514 4.734 0 40 HJAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cc2c(cc1Cl)OCCCO2 14702225 LYFTUJBYGYMQSI-UHFFFAOYSA-N 418.877 4.945 0 40 HJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 14792763 CATGHKFPKOIOHO-IRXDYDNUSA-N 406.457 4.723 0 40 HJAB CCc1cccc(C)c1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 15281078 VQDFPUJMGYMZAC-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccccc3)CC2)n1 19084745 BPYUCBRYFIHIKH-UHFFFAOYSA-N 400.526 4.856 0 40 HJAB COc1ccc(C)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1c1ccncc1 19133579 DUJVKJIZLOUFLE-RUZDIDTESA-N 404.510 4.564 0 40 HJAB Cc1c(C(=O)N2CCO[C@H](c3nccnc3-c3cccc(F)c3)C2)oc2ccccc12 19693117 XDLZIMAOUDLXES-FQEVSTJZSA-N 417.440 4.551 0 40 HJAB COc1ccc([C@H](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)NC(C)=O)cc1 21466975 KVGCVURYQCHZJQ-DEOSSOPVSA-N 408.542 4.577 0 40 HJAB COc1ccc(OCCCCn2c([C@@H]3CCCN3C(C)=O)nc3ccccc32)cc1 21787518 MKMSFUBTOQOMDH-QHCPKHFHSA-N 407.514 4.588 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1CCN(Cc2ccco2)CC1 23128009 BMMTWOYDKMQHHP-UHFFFAOYSA-N 413.905 4.538 0 40 HJAB C[C@H](NC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1)c1ccc(F)cc1 32578859 MYNNPMIXUXJNAF-INIZCTEOSA-N 417.440 4.946 0 40 HJAB Fc1cccc(COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2)c1 34869137 OEVRBXMYLVRFJJ-UHFFFAOYSA-N 420.553 4.898 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 34870231 NFZLACPEZBGIMZ-NQSCKRDGSA-N 412.530 4.626 0 40 HJAB O=C(Nc1ccc2nc(Cc3ccccc3)[nH]c2c1)c1cccc(CN2CCCC2=O)c1 36748780 BUZWZNDPYWHQPS-UHFFFAOYSA-N 424.504 4.528 0 40 HJAB Cc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)cc1 39964021 AQXDPARURFMJAD-QHCPKHFHSA-N 424.504 4.504 0 40 HJAB CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccnn3Cc3ccccc3)c12 40130727 UBVYDVUJLOSUKR-UHFFFAOYSA-N 401.470 4.550 0 40 HJAB Cc1ccc(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)c(Cl)c1 40134502 QSZNUKNLMQONCU-UHFFFAOYSA-N 410.699 4.561 0 40 HJAB CN(C)Cc1ccccc1CNC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 58023013 DJCAYTQIOSNDHI-UHFFFAOYSA-N 400.954 4.714 0 40 HJAB Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)cc1 58218431 IPUIHQCHYPASRO-MRXNPFEDSA-N 419.447 4.688 0 40 HJAB CCCCOc1ccccc1-c1cc(C(=O)NCc2ccc(OC(C)C)cc2)[nH]n1 72331609 IBXNRXJEGCODRG-UHFFFAOYSA-N 407.514 4.973 0 40 HJAB Cc1nc(Cn2c(C)nc3ccccc32)cc(NCc2ccccc2OC(C)C)n1 72373342 NTLVNKFDIFSOKV-UHFFFAOYSA-N 401.514 4.891 0 40 HJAB CN1CCC([C@@H]2CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 95440596 GBXNLQKIYIMJRX-CYBMUJFWSA-N 423.401 4.920 0 40 HJAB Cn1c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc(Cl)c1Cl 95954716 VBFAKZGRGKERHA-NSHDSACASA-N 403.693 4.795 0 40 HJAB CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)Cc1c[nH]c2ncccc12 96012100 YMEWUHBLBOOWJX-FQEVSTJZSA-N 402.542 4.854 0 40 HJAB Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)N2CCCC2)c2ccccc2O3)o1 96053216 OEVXYKDVDJQVCP-HXUWFJFHSA-N 408.542 4.501 0 40 HJAB O=C(CSCc1coc(-c2ccccc2)n1)Nc1cccnc1N1CCCCC1 97159661 YJDVRUNSBFMKQR-UHFFFAOYSA-N 408.527 4.599 0 40 HJAB Cc1sc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)nc1-c1ccc(CC(C)C)cc1 102196561 QFBPGWOTJNCCBZ-OKYOBFRVSA-N 410.539 4.778 0 40 HJAB Cc1ccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 223814381 ZNZLXNFXACPCFP-OAQYLSRUSA-N 406.570 4.630 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 224037863 ZEOJAAXVIWJOAR-HNNXBMFYSA-N 421.368 4.868 0 40 HJAB CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(OC)c(Cl)c2)c2ccccc2O1 224463704 BYKUPZAJUJESMW-QGZVFWFLSA-N 409.935 4.710 0 40 HJAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccccc1OC 224574372 VUQGUYRNQAMWRC-UHFFFAOYSA-N 405.494 4.645 0 40 HJAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 224610875 ODFVBHZEKMFNMR-PKTZIBPZSA-N 412.518 4.755 0 40 HJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(NC(C)=O)c(C)c3)ccc21 408627210 YKCYNBZOWAILRX-UHFFFAOYSA-N 421.522 4.882 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 408671843 LNJWLEAQFHWGMC-UPRAQXHNSA-N 410.901 4.826 0 40 HJAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 585165373 LIXDECDNUFAKLZ-HXUWFJFHSA-N 422.960 4.715 0 40 HJAB CN1CCCCN(C(=O)c2ccccc2F)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643562429 SXOJYJNQFOQOCM-GGAORHGYSA-N 424.516 4.524 0 40 HJAB Cc1ccc(-c2csc3nnc(SCC(=O)c4ccc5c(c4)OCCO5)n23)cc1 937516 NPXJEQIWQNUQQW-UHFFFAOYSA-N 423.519 4.512 0 40 HJAB C[C@H]1C(=O)N(Cc2ccc(F)cc2)c2ccccc2N1C(=O)c1c(F)cccc1F 1385984 QQXCPFJXDWDZBK-AWEZNQCLSA-N 410.395 4.686 0 40 HJAB CC(C)(C)c1ccc(OCCCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 1773505 DWXYLXIFBMSWSQ-UHFFFAOYSA-N 414.571 4.821 0 40 HJAB CCCCOC(=O)c1ccc(N2COc3ccc4c(CC)cc(=O)oc4c3C2)cc1 2114614 BRAHBKQFWGKZFB-UHFFFAOYSA-N 407.466 4.669 0 40 HJAB biogenic COc1ccc([C@@H]2Nc3cc(OC)c(OC)cc3C(=O)N2c2ccc(C)cc2)cc1 2292013 QFAGWYDVVVIYHT-HSZRJFAPSA-N 404.466 4.792 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C 2705762 ALPVBYSTKAHTHX-UHFFFAOYSA-N 410.783 4.509 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)c1 2792072 OUMRGDARVBOWOZ-UHFFFAOYSA-N 421.925 4.758 0 40 HJAB COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1ccccc1C)c1ccccc1 3322634 WGOCFJRMQBSWFC-LTGZKZEYSA-N 401.462 4.726 0 40 HJAB C[C@H](OC(=O)c1cccc(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1 3373220 KKXVLQKUUOUUKH-JTQLQIEISA-N 416.193 4.652 0 40 HJAB Cc1ccc(-c2csc3ncnc(N4CCN(C(=O)c5ccccc5)CC4)c23)cc1 3443658 JGCNPHHRJPPABU-UHFFFAOYSA-N 414.534 4.629 0 40 HJAB Cc1nnc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1C1CCCCC1 4509790 FFXUNSQCBHYCBB-UHFFFAOYSA-N 413.591 4.813 0 40 HJAB CCOC(=O)C1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1 4863419 UGHDXGXWVVPDNS-UHFFFAOYSA-N 422.912 4.971 0 40 HJAB CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc(C)c1C 5145160 YRCNSXNPCLIWKB-UHFFFAOYSA-N 402.516 4.801 0 40 HJAB COc1ccc(O[C@H](NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)cc1 5165621 DCUFWGDMUKYHMH-HNNXBMFYSA-N 409.096 4.854 0 40 HJAB Cc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc4c(c3)OCCO4)nc12 5264822 BZBJDIRDBUBGQE-UHFFFAOYSA-N 417.490 4.618 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccccc1NS(=O)(=O)c1cccs1 6146354 OPGCYCKENKNMBZ-UHFFFAOYSA-N 400.525 4.672 0 40 HJAB CCCCCCOc1ccc(C(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1 6240750 FKJQWBBIPFULHC-UHFFFAOYSA-N 413.543 4.731 0 40 HJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4)cc3n2)cc1 6359275 ZXGFJBXDXKIEHJ-UHFFFAOYSA-N 420.900 4.962 0 40 HJAB CCCCc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 6653007 WGVKWDUGZMIVTM-UHFFFAOYSA-N 422.550 4.863 0 40 HJAB COc1ccccc1[C@@]1(CCN2CCN(c3ccccc3)CC2)CCOC(C)(C)C1 6673564 LIQNTKXMRJMMBS-SANMLTNESA-N 408.586 4.734 0 40 HJAB CCOc1ccc(C[C@H]2SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OCC 6964425 TWSSRSKKCYAJHH-LJQANCHMSA-N 419.930 4.944 0 40 HJAB C[C@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc5c(c4)OCO5)o3)cc2C1 7129849 KSMDRCOLJKXSEY-NSHDSACASA-N 414.508 4.627 0 40 HJAB O=C(CSc1ncnc2ccccc12)N[C@@H](c1ccc(F)cc1)c1cccs1 7151884 LOLBPMHTZMATNF-FQEVSTJZSA-N 409.511 4.828 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 7307026 QOMRKMGNMDXBNS-LBPRGKRZSA-N 410.923 4.657 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1C(=O)c1ccccc1 7823603 DXCWGUVOVXYRAE-UHFFFAOYSA-N 423.516 4.709 0 40 HJAB CCc1ccc(N2C[C@H](C(=O)Nc3c(C)cc(Br)cc3C)CC2=O)cc1 8085752 YEBSHXJPQQBIBP-MRXNPFEDSA-N 415.331 4.620 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2Cn2nc(-c3ccc(C)cc3)[nH]c2=S)c1 8151155 HFSZAAHBGGOUOV-IBGZPJMESA-N 410.543 4.728 0 40 HJAB O=C(COC(=O)CN(Cc1ccccc1)Cc1ccccc1)Nc1ccccc1Cl 8433908 TXVCAJDZNIWXFV-UHFFFAOYSA-N 422.912 4.524 0 40 HJAB CC1CCN(C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2-c2ccccc2)CC1 9367798 BDAPRKQDPMMJAY-MRXNPFEDSA-N 412.584 4.735 0 40 HJAB c1csc(-c2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)c1 9609342 WHABDGQTDQOWOJ-UHFFFAOYSA-N 401.494 4.943 0 40 HJAB CC(C)(C)c1csc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)n1 10030876 FXPKBHFVABUXCC-UHFFFAOYSA-N 401.919 4.556 0 40 HJAB COc1ccc([C@H]2CCCN2CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)cc1 10053759 YLGYJELUHPWSDE-RUZDIDTESA-N 418.537 4.653 0 40 HJAB CN1C(=O)[C@@]2(OCc3ccccc3N2C(=O)Nc2cccc(Cl)c2)c2ccccc21 10157787 PTDIFOXWQIQTDH-QHCPKHFHSA-N 419.868 4.738 0 40 HJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cccc(C)c2C)cc1 11117491 PNFULZPRCWYNRF-YADHBBJMSA-N 407.539 4.820 0 40 HJAB CCCn1ncc(CN(Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)c1C 12134522 HSDIUNKDUPVJNN-XUZZJYLKSA-N 407.562 4.707 0 40 HJAB O=C1Nc2ccc(F)cc2[C@@]12Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 12377356 ZDKMMHCNQMTIRP-NZQKXSOJSA-N 419.843 4.828 0 40 HJAB CC(C)CCC[C@H](C)NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12525774 RONIOUJTCPXMKP-KRWDZBQOSA-N 420.550 4.500 0 40 HJAB O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 12767464 UDBHJYWZBLGSCQ-VQHVLOKHSA-N 417.336 4.562 0 40 HJAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12977763 GUODLJYFDUXUSG-SXYIGIQMSA-N 400.950 4.794 0 40 HJAB O=C(CCS[C@@H]1CCc2ccccc2N=C1O)NCCc1ccc(Cl)cc1 13689919 GPIRRGGSONHLCH-LJQANCHMSA-N 402.947 4.725 0 40 HJAB CN(C)c1ccc(-c2nnc3sc(COc4ccc5ccccc5c4)nn23)cc1 13956991 ACAUVLMASQWQGF-UHFFFAOYSA-N 401.495 4.651 0 40 HJAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)c1 14046966 HWVBYGOVLRMYAZ-UHFFFAOYSA-N 419.525 4.605 0 40 HJAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Br)s1 14256106 ABVZQTHUXNMSGP-UHFFFAOYSA-N 420.659 4.984 0 40 HJAB COc1ccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)cc1 16841094 NZEKDIXFEHDGTL-UHFFFAOYSA-N 419.300 4.844 0 40 HJAB COc1cccc(CN2CCC([C@H](NC(=O)c3cccs3)c3ccccn3)CC2)c1 19564876 AKRUZPOZNCMKMX-QHCPKHFHSA-N 421.566 4.535 0 40 HJAB CCCN1CCC[C@](O)(c2nc(C)c(CCOc3ccccc3Cl)s2)CC1 19705439 LBRJEIZTYULPJM-OAQYLSRUSA-N 408.995 4.810 0 40 HJAB Cc1cc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)ccc1-c1ccc(CO)o1 20152904 HMPDBJZCBGZVFJ-UHFFFAOYSA-N 424.522 4.661 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3ccccc3C)nnc2c1-c1ccc(Cl)cc1 20672693 GRKBHKDKYYLQNR-UHFFFAOYSA-N 405.889 4.876 0 40 HJAB COc1ccc([C@@H](C)NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1OC 22246134 OBYQMLNEEGITIW-GFCCVEGCSA-N 415.490 4.842 0 40 HJAB C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)N(C)CCOc1ccc(Cl)cc1 24110620 UTELWMHAVAOPKD-CQSZACIVSA-N 423.966 4.789 0 40 HJAB Fc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1F 25329575 NQCJREXFLPZYPG-GBXCKJPGSA-N 420.415 4.978 0 40 HJAB Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)oc2c1 28291733 NSGDPLACTDAUIR-SFHVURJKSA-N 410.539 4.510 0 40 HJAB COc1ccc(N(Cc2cccs2)C(=O)CCNC(=O)Nc2ccccc2)cc1 32678572 LHMWISCYJJYTMH-UHFFFAOYSA-N 409.511 4.502 0 40 HJAB COc1ccc(C(=O)C2CCN(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)cc1 32794764 YJTRTPVCFYHEPO-UHFFFAOYSA-N 420.431 4.519 0 40 HJAB CC(=O)c1cccc(NC(=O)Nc2nc(SCc3ccc(F)cc3)ns2)c1 35314235 NZRIJKCUOFFEOL-UHFFFAOYSA-N 402.476 4.816 0 40 HJAB Cc1ccc(-c2noc3nc(-c4ccccc4)cc(C(=O)Nc4ccn(C)n4)c23)cc1 36618514 AQEBUESORDDBSA-UHFFFAOYSA-N 409.449 4.851 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 39995507 XZDUQURHDDWFBX-FQEVSTJZSA-N 417.431 4.674 0 40 HJAB O=C(CC1CCCC1)N1CCN(C(=O)Nc2ccccc2Cc2ccccc2)CC1 40098867 QAPUZYJHDPKFBE-UHFFFAOYSA-N 405.542 4.534 0 40 HJAB Cc1c(Nc2ccc(C(=O)c3ccc(F)cc3)cc2)c(=O)n(-c2ccccc2)n1C 48149665 OJNCWHROUKUMTP-UHFFFAOYSA-N 401.441 4.598 0 40 HJAB CSc1ccccc1CN1CCC(CNC(=O)c2ccc(OC(C)C)cc2)CC1 49523414 YXIAVSSJQYJHQF-UHFFFAOYSA-N 412.599 4.838 0 40 HJAB CCN(C(=O)NCc1cccc(OC[C@H]2CCCO2)c1)[C@@H](C)c1ccc(F)cc1 58168882 OFKCGBQORNBDEV-HTAPYJJXSA-N 400.494 4.676 0 40 HJAB Cc1sc2nc([C@H](C)OC(=O)c3ccc(F)c(C(F)(F)F)c3)[nH]c(=O)c2c1C 64210900 BUGIQNDPDNTYEW-QMMMGPOBSA-N 414.380 4.677 0 40 HJAB CCCN(Cc1ccn(-c2ccccc2)n1)Cc1nnc(-c2ccccc2Cl)o1 72308189 QMPIZQYLHZCKET-UHFFFAOYSA-N 407.905 4.988 0 40 HJAB CCn1cc(C(=O)N2CCC[C@@H](c3[nH]c4ccccc4c3-c3ccncc3)C2)c(C)n1 72396393 NNJVKSREWCUREV-LJQANCHMSA-N 413.525 4.775 0 40 HJAB COC(=O)[C@@](NC(=O)CCC1CCCCC1)(c1c[nH]c2ccccc12)C(F)(F)F 79480080 BOJBRUKDZLEJQM-FQEVSTJZSA-N 410.436 4.575 0 40 HJAB O=C(c1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ncc(C(F)(F)F)cc1Cl 81225744 KHEJSTVXOCHUEB-UHFFFAOYSA-N 421.593 4.872 0 40 HJAB O=c1c(Cl)c(NCc2csc3ccccc23)cnn1-c1ccc(F)cc1F 84593162 OBBDZYJCEYXCGW-UHFFFAOYSA-N 403.841 4.991 0 40 HJAB O=C1CN(C(=S)NCc2ccccc2)[C@H](c2ccc(Cl)cc2)c2ccccc2N1 95945174 FVTGZLCIYLZJSC-JOCHJYFZSA-N 421.953 4.758 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2c(F)cccc2Cl)S1 96117881 OOESTUNTUQANCJ-BDJLRTHQSA-N 409.914 4.985 0 40 HJAB COc1ccc(Cl)cc1C(=O)CSc1nnc2c(n1)[C@@]1(C)CC[C@H]2C1(C)C 100265437 YOBUQUGJWCTUQX-ZUOKHONESA-N 403.935 4.684 0 40 HJAB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@@H]3C2=O)cc1 101012839 GRYBUPGQWXZFDB-HJOGWXRNSA-N 412.489 4.609 0 40 HJAB CCCN1[C@H]2CC[C@H]1CC(C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1)C2 101435413 VEDVAEXFULMPJS-DQEYMECFSA-N 419.613 4.684 0 40 HJAB Cc1cccc2c(C(=O)NCC(C)(C)N3CCCCC3)cc(-c3ccccn3)nc12 141551554 WPTYLRJDNLRBMG-UHFFFAOYSA-N 402.542 4.600 0 40 HJAB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 222170437 MPKRQKMZUJJWBH-YXVQUMHESA-N 404.340 4.694 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 223912683 HVVGVQNDAVOCIS-MRXNPFEDSA-N 421.368 4.706 0 40 HJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)n1-c1cccnc1 224159602 GCFXHLLZIVHDMR-XZOQPEGZSA-N 411.534 4.753 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 225253428 OLPXAGBVBKNIRD-NRFANRHFSA-N 400.950 4.525 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 225510733 UBCSTDVOFIFYDX-PGRDOPGGSA-N 414.977 4.913 0 40 HJAB CNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CCCCC2)CC1 257317882 VLOQJTZHEAHNMU-UHFFFAOYSA-N 424.610 4.893 0 40 HJAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cc(Cl)ccc4C)cc3)C(=O)[C@@H]2C1 408685179 QGRKKUHHYHXPNF-RBUKOAKNSA-N 408.885 4.746 0 40 HJAB COc1ccc(NCN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)cc1 408719063 IGYHCYAVMDLSPT-MHWRWJLKSA-N 419.300 4.564 0 40 HJAB CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCc2ccc(Cl)cc2Cl)=N1 408987964 GNKMAAACNDMXGF-KRWDZBQOSA-N 406.338 4.686 0 40 HJAB O=C(O)c1cccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1 409094974 GWCVWLAWYSLZLP-UNOMPAQXSA-N 422.437 4.551 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3C)ccc2C)c(C)c1 409411203 USXDZQJOSBZAOF-UHFFFAOYSA-N 422.550 4.651 0 40 HJAB O=C(C1CCC(OC[C@@H]2CCCO2)CC1)N1CCC(c2ccc(Cl)cc2)CC1 501212668 WNTVJQYMKLEBDB-VTLFHKLASA-N 405.966 4.800 0 40 HJAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCC(n6ccnn6)CC5)(C4)C2)C3)cc1C 534280850 KGIJPMDUTKXKKK-QJMPUOCTSA-N 418.585 4.597 0 40 HJAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 585293075 WEQRINYXZLYWRV-YXBWYFRISA-N 419.554 4.631 0 40 HJAB CCOc1cc(/C=C2/NC(=S)N(c3ccccc3)C2=O)c(Cl)cc1OC(C)C 679322 GBQZTMCQMBRFJQ-LICLKQGHSA-N 416.930 4.788 0 40 HJAB COc1ccc(Cl)cc1C(=O)CSc1nnc(COc2ccccc2C)o1 875873 YZRRLFJBGDTHQS-UHFFFAOYSA-N 404.875 4.594 0 40 HJAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1 886936 WOMXZYLWTUHDRC-UHFFFAOYSA-N 415.950 4.603 0 40 HJAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)COc1ccccc1 1413914 BKUJJITUHDNZRN-UHFFFAOYSA-N 417.490 4.695 0 40 HJAB COC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc2c1CC[C@H](C)C2 1773766 UYULZLGMDUOJOH-HNNXBMFYSA-N 401.528 4.766 0 40 HJAB O=C(COCOc1ccccc1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 3257671 QAVJUXUHEFGYGX-UHFFFAOYSA-N 419.868 4.824 0 40 HJAB CSc1nc2ccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cc2s1 3307314 IMBXJPBNAZHZCY-INIZCTEOSA-N 400.525 4.828 0 40 HJAB CC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)c1ccc2c(c1)OCO2)c1ccccc1 4571476 RYPYDOABZAXGSG-VWLOTQADSA-N 422.525 4.680 0 40 HJAB O=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 4970968 NZFMCBAYPNREKV-UHFFFAOYSA-N 407.583 4.842 0 40 HJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N(Cc1ccccc1)Cc1ccccc1 5210366 IVMOYOMEDSZNND-UHFFFAOYSA-N 414.534 4.793 0 40 HJAB CC1(C)Cc2c(sc3nc(SCc4ccccc4)n4c(S)nnc4c23)CO1 5862425 DQAOHLQRDSDMLD-UHFFFAOYSA-N 414.581 4.771 0 40 HJAB CCc1ccc(NC(=O)Cn2nc(-c3cc(C)ccc3C)c3c(c2=O)CCCC3)cc1 6767396 WIJDKPXMKBDQMB-UHFFFAOYSA-N 415.537 4.607 0 40 HJAB CCc1cccc(NS(=O)(=O)c2c(-c3ccccc3)csc2C(=O)OC)c1 6913961 CTKJXUQVBFMQPF-UHFFFAOYSA-N 401.509 4.565 0 40 HJAB COc1ccc(Br)cc1CN(C)c1nc2cc(C)nn2c2ccccc12 7777113 QHVXGXONVTYNSA-UHFFFAOYSA-N 411.303 4.598 0 40 HJAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N1c2ccccc2C[C@@H]1C 8187509 PUQTUAQMKSATCW-KBPBESRZSA-N 404.495 4.676 0 40 HJAB CCc1cccc(CC)c1NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 8478829 SVTWIUCQJHHTPK-UHFFFAOYSA-N 422.978 4.650 0 40 HJAB O=C(N[C@H](CC(=O)N1CCc2ccccc2C1)c1ccccc1)c1ccccc1Cl 8518482 PZWQRXXJNSKGNX-HSZRJFAPSA-N 418.924 4.786 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c(C)c1 8840650 PJGMMCAWQRNYPK-UHFFFAOYSA-N 420.534 4.584 0 40 HJAB CCCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CC)cc1 8845828 ZUXZOIDWGRRESD-QHCPKHFHSA-N 405.498 4.916 0 40 HJAB COc1ccccc1-c1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@H]3c1ccccc1 9185160 DIOABCWUHWKEQM-OAQYLSRUSA-N 422.444 4.791 0 40 HJAB CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCc1c(F)cccc1Cl 9582481 CTDQROCJFBILGM-UHFFFAOYSA-N 418.925 4.872 0 40 HJAB O=c1nc(SCc2cccc3ccccc23)c2c(n1C[C@@H]1CCCO1)CCCC2 10255542 BEIDSBNDSDZYRY-IBGZPJMESA-N 406.551 4.747 0 40 HJAB O=C(NCCc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(Br)cc1 12344124 SZOXLALZWHKJHB-NRFANRHFSA-N 424.342 4.608 0 40 HJAB Cn1ccnc1[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1 12540218 NWQPIJYLZPRZBP-HSZRJFAPSA-N 415.468 4.658 0 40 HJAB COc1ccc([C@@H](NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c2nccn2C)cc1 12547728 IEXZRDGHJZSDEB-LEWJYISDSA-N 411.933 4.728 0 40 HJAB CCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 12780602 VCUJDSYYVTWSBC-MRXNPFEDSA-N 418.522 4.907 0 40 HJAB Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1C 12805501 OUQDMXZTNVZUOT-LBPRGKRZSA-N 422.341 4.705 0 40 HJAB Cc1cc(C(=O)N[C@H](C)CCc2ccccc2)c2cnn(Cc3cccs3)c2n1 12916035 NMPVYXUONKMZII-MRXNPFEDSA-N 404.539 4.601 0 40 HJAB COc1cc(C(=O)N2CCCc3ccccc32)cc(OC)c1OCc1ccccc1 12919977 LKJKUGNRRLYHGL-UHFFFAOYSA-N 403.478 4.876 0 40 HJAB CC(C)[C@H](NC(=O)N[C@H]1CCCc2ccccc21)C(=O)N[C@H]1CCCc2ccccc21 13629404 BZZNNEANKNPIGA-HJOGWXRNSA-N 419.569 4.582 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)n1C 13842436 CRCSPRTXEHJDQM-UHFFFAOYSA-N 424.570 4.865 0 40 HJAB CCOc1ccccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 17087384 LRDSWDOVZQOYRB-UHFFFAOYSA-N 406.507 4.791 0 40 HJAB CCOc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)cc(OCC)c1OCC 18702416 ZRXHCWGMQKDSKI-UHFFFAOYSA-N 413.499 4.654 0 40 HJAB COc1ccccc1/C=C/CN1[C@H](Cc2cccc(F)c2)C[C@@H]2NC(=O)CCCC[C@H]21 19713469 YEURJWITIQXTND-PPTRPJPMSA-N 422.544 4.592 0 40 HJAB Cc1ccccc1-n1c(=S)[nH]c2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 19819707 MNZCYCMKALVCRI-UHFFFAOYSA-N 419.575 4.977 0 40 HJAB Cc1n[nH]c(O)c1[C@H](c1cccc(OCc2ccccc2Cl)c1)c1c(O)n[nH]c1C 20033487 QJQNBZOTGFHXIH-UHFFFAOYSA-N 424.888 4.573 0 40 HJAB O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(Cc1ccncc1)CO3 20567098 QZJANLCSKNPLKE-UHFFFAOYSA-N 404.853 4.861 0 40 HJAB Cc1nnc2sc(-c3cccc(NC(=O)c4cc(Cl)ccc4Cl)c3)nn12 20609583 TZXJSHKXJMRBAK-UHFFFAOYSA-N 404.282 4.720 0 40 HJAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C)cc1 22514621 TVCRRJSHWKBCOZ-QHCPKHFHSA-N 422.550 4.985 0 40 HJAB COc1cccc(NC(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)c1OC 22679612 NOMIVTHSHCHKEC-SFHVURJKSA-N 403.548 4.504 0 40 HJAB O=C(Nc1cccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)c1)c1ccc(F)cc1 24893504 HQCLEIRJTJKXMX-UHFFFAOYSA-N 400.413 4.720 0 40 HJAB O=C(Nc1ccc(OC[C@@H](O)COc2cc(Cl)ccc2Cl)cc1)c1ccco1 27213526 LCWPCIADWOYODC-OAHLLOKOSA-N 422.264 4.657 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Br)c2C)c1 28231528 AWTUDCXKJIBWSG-NSHDSACASA-N 404.230 4.789 0 40 HJAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 29797532 JICBWQAJHYDXPG-KXBFYZLASA-N 401.890 4.632 0 40 HJAB CC(C)n1ncc2c(C(=O)N3CCn4cccc4[C@@H]3C)cc(-c3cccs3)nc21 30262160 ODSILPFCPQHQRK-HNNXBMFYSA-N 405.527 4.759 0 40 HJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(-c4ccn[nH]4)c3)c12 31536815 ADPGQHKZOWXJDS-UHFFFAOYSA-N 413.412 4.980 0 40 HJAB COc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1NC(=O)c1cccc(F)c1 32931489 NPVHQYUWXQTOSO-UHFFFAOYSA-N 417.440 4.749 0 40 HJAB Cc1noc(-c2cccc(OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)n1 33012446 VTCRSORNABNCED-UHFFFAOYSA-N 411.767 4.735 0 40 HJAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1 33088643 PBZKQHBJUUZAOC-UHFFFAOYSA-N 406.507 4.868 0 40 HJAB Cc1ccccc1-c1noc(-c2cn(C)c3cc(N4CCCCC4)c(F)cc3c2=O)n1 33255924 MTWGPQAPIWAEJL-UHFFFAOYSA-N 418.472 4.693 0 40 HJAB COc1cc(C(=S)N2CCCC2)c(Br)cc1OCc1ccccc1 33765820 RSWSPVPCJAWVLY-UHFFFAOYSA-N 406.345 4.808 0 40 HJAB C[C@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)O 34212926 ORQZAESELNKXTJ-JXFKEZNVSA-N 413.514 4.972 0 40 HJAB CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(OC)c2ccccc12 35685405 FRCKTTHBPHXOGZ-UHFFFAOYSA-N 413.495 4.542 0 40 HJAB CCOc1ccccc1NC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 38678181 GBGOECQDGKSMQZ-UHFFFAOYSA-N 405.454 4.521 0 40 HJAB CC[C@H](C)N(Cc1ccccc1)C(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 40130766 MZCWVCUJZMVYFT-INIZCTEOSA-N 412.530 4.852 0 40 HJAB CCc1nn2c(nnc3c(=O)n([C@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40391694 XFOIZPPUZGPPTA-VCBZYWHSSA-N 419.504 4.805 0 40 HJAB Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)Nc2nnc(C)s2)cc1 44086442 QPEQTUJTVBNWOV-UHFFFAOYSA-N 421.551 4.738 0 40 HJAB COc1c(Cl)cc(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cc1Cl 58134432 TVRUGFQIRMXBRZ-INIZCTEOSA-N 407.341 4.644 0 40 HJAB Cc1ccc(NC(=O)NC[C@H]2CCCN(c3ncnc4sc(C)c(C)c34)C2)cc1 58224205 KDDWHFKWLUSIKE-QGZVFWFLSA-N 409.559 4.655 0 40 HJAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1 59331976 NXFZCFMCWBHIJU-UHFFFAOYSA-N 423.310 4.940 0 40 HJAB CCCCn1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2cc(C)[nH]c2c1=O 67238546 VPLGIAPWPTWZAQ-UHFFFAOYSA-N 412.559 4.687 0 40 HJAB O=C(CSc1nc2ccccc2[nH]1)Nc1nc2cccc(OC(F)(F)F)c2s1 67350719 ZKCCUMHESGRXRG-UHFFFAOYSA-N 424.429 4.802 0 40 HJAB CCOc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccccc2)cc1 71769079 BYLCJDXHJATBDH-UHFFFAOYSA-N 407.539 4.929 0 40 HJAB O=C(COc1ccccc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349070 SVARZMXLOVRZCG-FQEVSTJZSA-N 404.485 4.597 0 40 HJAB CCn1ccnc1CN1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72359140 ONLLJUOVVKTTIK-QGZVFWFLSA-N 415.463 4.758 0 40 HJAB Cc1ccc(Nc2nccc([C@@H]3CCCN(Cc4ccc5ncccc5c4)C3)n2)nc1 72377988 CALLHRKSGJFUSK-OAQYLSRUSA-N 410.525 4.851 0 40 HJAB CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 72378991 LNQNDXWKGLXDRR-OAQYLSRUSA-N 402.542 4.559 0 40 HJAB C[C@H](N[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(-n2ccnc2)cc1 95350715 ORJHHNSALVKOQC-UONOGXRCSA-N 403.313 4.857 0 40 HJAB O=C(NCCCc1cccc(F)c1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 95418262 XQDLNCHKKHYTRF-UHFFFAOYSA-N 416.855 4.631 0 40 HJAB COc1ccc(/C=C2/N=C(SC[C@@H]3CCCO3)N(c3cc(C)cc(C)c3)C2=O)cc1 96035463 BQKVXOVKVIXTHL-PIUNUONSSA-N 422.550 4.968 0 40 HJAB COCc1ccc(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3C)CC2)cc1 100744886 MMHXZUAWPGWVEW-PUZFROQSSA-N 418.541 4.630 0 40 HJAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C[C@H](O)C(F)(F)F 118915663 JVSPILBDVWXPBS-LOOTVKLMSA-N 416.524 4.889 0 40 HJAB in-vitro C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc(C(C)(C)C)cc1 216244929 CQMMDWATZCBBDW-CYBMUJFWSA-N 408.951 4.500 0 40 HJAB Cc1ccc(CN(C(=O)COc2cc(C)cc(C)c2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 222773820 OGDJGPWSYYWTTM-NRFANRHFSA-N 424.585 4.631 0 40 HJAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1Cl 224159938 LOPORFXACRBDFM-UHFFFAOYSA-N 400.950 4.689 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 224578664 NXGOOCZFVMIYLL-DEOSSOPVSA-N 408.586 4.816 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224886277 NQFPUBLXMQGKPT-JTQLQIEISA-N 404.182 4.754 0 40 HJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 225126771 KSMIBPRLBHSSLB-SFHVURJKSA-N 412.961 4.749 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 225200174 FHYCNVKHEGHYJM-MOPGFXCFSA-N 414.977 4.831 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)c1 225569333 UAPGTKMMYPLKJP-UHFFFAOYSA-N 400.544 4.570 0 40 HJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCCC1 225721386 IKQCXGZMCGABRP-SFHVURJKSA-N 406.526 4.598 0 40 HJAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C[C@@H]4C=CCC4)C3)cc2N1 248154333 CPUMKJXKZRGZIE-XYVMCAHJSA-N 424.511 4.889 0 40 HJAB C=CCNC(=O)C1(Cc2ccc(-c3cccc(C)c3)cc2)CCN(C(=O)C(C)C)CC1 257296153 RBLZUTGCUGPQAV-UHFFFAOYSA-N 418.581 4.772 0 40 HJAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)C(C)C)cc1 409003343 SAHXAVMZRSRXJM-QHCPKHFHSA-N 422.550 4.604 0 40 HJAB C[C@H](OC[C@H](O)CN[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(Cl)cc1 538234574 SOSOMHAQINXBRQ-ZRGHVXQMSA-N 403.950 4.536 0 40 HJAB O=C(c1cnn2c(-c3ccccc3)ccnc12)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 561133497 QRCWZSXPSHZBBE-KIFXHHALSA-N 408.505 4.805 0 40 HJAB Cc1ccc(-c2ccc(C(=O)NCc3nc(O)c4ccccc4n3)c(F)c2)cc1C 574845485 FQYXNIDTHGBHHV-UHFFFAOYSA-N 401.441 4.688 0 40 HJAB Cn1c(C(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@H]32)cc2cc(Cl)ccc21 604405222 NWMOKYQHWWBYCK-FJYDYCOSSA-N 423.988 4.867 0 40 HJAB biogenic O=c1oc2ccc(Br)cc2cc1-c1nnc(-c2cccc(Cl)c2)o1 856260 ALHUPJCCKQHCIE-UHFFFAOYSA-N 403.619 4.926 0 40 HJAB CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 2245932 OLNKDPHNMKQBQU-JOCHJYFZSA-N 412.445 4.727 0 40 HJAB COc1cc(SC)ccc1C(=O)OCC(=O)c1cc(C)n(Cc2ccco2)c1C 3309074 VXULMJJVCNWNNR-UHFFFAOYSA-N 413.495 4.516 0 40 HJAB CCCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OC 4000153 CEHLFDNBLPBLRP-JYSHFMIGSA-N 420.553 4.820 0 40 HJAB biogenic C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)[C@@H]1C 4843574 OXJAJWMYNWPXBW-NUJGCVRESA-N 410.543 4.560 0 40 HJAB CCOc1ccc(CN(C)C(=O)COC(=O)c2sc3ccccc3c2Cl)cc1 5885659 QHUIYNKUFGMSRZ-UHFFFAOYSA-N 417.914 4.769 0 40 HJAB O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(F)c(Cl)c1 6509952 DUALHGQFDKZCJI-UHFFFAOYSA-N 407.879 4.656 0 40 HJAB COc1ccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)cc1 6791923 JDCNZFFAGRCNMK-UHFFFAOYSA-N 409.449 4.569 0 40 HJAB CCOc1ccc(NC(=O)[C@@H](C)Sc2nnc3cc(C)c4ccccc4n23)cc1 7200046 NIOCQTYBMNIPLG-OAHLLOKOSA-N 406.511 4.709 0 40 HJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc2noc(-c3ccccc3)c2c1 8074627 JXVMVOHWUIVXGL-NRFANRHFSA-N 401.466 4.655 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c(C)c1 8333323 GTOLSUAJGQBNOU-UHFFFAOYSA-N 414.571 4.574 0 40 HJAB Nc1nc(SCC(=O)Nc2cc(Cl)ccc2F)nc2sc3c(c12)CCCC3 8747171 DUUFUKNKAGWVDV-UHFFFAOYSA-N 422.938 4.676 0 40 HJAB Cc1ccsc1CN(C[C@@H]1CCCO1)C(=O)COc1ccc(Cl)cc1Cl 8869421 FMMGXGUKNBHPDM-HNNXBMFYSA-N 414.354 4.950 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nc3nc(C)cc(C)n3n2)c2ccccc2)c1 8982715 FVJUMEGUXRYRIQ-FQEVSTJZSA-N 417.538 4.830 0 40 HJAB Cc1cc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)ccc1N1CCCC1 9117990 IBMHHVOAVMNPMH-NRFANRHFSA-N 420.582 4.981 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)c(OC)c1 9135053 RRVGVIVISFQBQB-UHFFFAOYSA-N 404.422 4.623 0 40 HJAB O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10547065 RTRWXSDYMKHGEM-OAHLLOKOSA-N 405.889 4.626 0 40 HJAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21 10972193 XQJMBTGXZDPGPS-UHFFFAOYSA-N 406.404 4.729 0 40 HJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CC=C(c2c[nH]c3ccccc23)CC1 10989466 PDVMQZBJPKZITL-UHFFFAOYSA-N 424.426 4.852 0 40 HJAB CS(=O)(=O)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)nc3ccccc23)cc1 12538785 POKVFMGRCVBLEP-UHFFFAOYSA-N 416.502 4.699 0 40 HJAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 12569054 WSOHZGNLCFPWQM-UHFFFAOYSA-N 421.522 4.735 0 40 HJAB CCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)s2)cc1 12584482 OBBYRPBLDUBVMC-UHFFFAOYSA-N 420.582 4.685 0 40 HJAB O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCc2ccccc21 12854598 BWOLGRCIZKTQCO-RUZDIDTESA-N 414.530 4.664 0 40 HJAB CCCc1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1COC(C)(C)C2 13207156 IWBAXUZLEFNYMY-UHFFFAOYSA-N 403.486 4.582 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 14007042 VFHZSULAYXSVDD-MRXNPFEDSA-N 408.885 4.676 0 40 HJAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(C)cc1 14126524 VBAVLXAXMLFUKH-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB Cc1ccc(-c2c(C)sc3nc(CN4CCn5cccc5[C@@H]4C)[nH]c(=O)c23)cc1 14241904 HUIGZGIUGSPWSC-HNNXBMFYSA-N 404.539 4.647 0 40 HJAB CCC(=O)N1N=C(c2ccc3c(c2)CCCC3)Sc2c1nc(CC)n2C(=O)CC 16777688 QENQGSTXAJFMME-UHFFFAOYSA-N 410.543 4.585 0 40 HJAB COc1ccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)cc1 16954236 SXZYPQCSFNQQRC-UHFFFAOYSA-N 400.486 4.558 0 40 HJAB Cc1ccccc1CN(C)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 18081539 IRPHVRNUYOIRRL-UHFFFAOYSA-N 400.522 4.659 0 40 HJAB COc1cccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CCN(C4CCCC4)C[C@H]23)c1 19566311 KGPKIBUUOWHPDR-UBFVSLLYSA-N 404.554 4.568 0 40 HJAB COc1cccc(-c2cc(C)nc(C3CCN(C(=O)c4scnc4C)CC3)c2)c1 19690628 RHHAAHALOYEKAF-UHFFFAOYSA-N 407.539 4.850 0 40 HJAB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3n2)cc1 20610247 UCTPAXBDRWLHSR-UHFFFAOYSA-N 416.481 4.859 0 40 HJAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1cccc(F)c1)c1ccccn1 20745184 RHYCAXBGQVRZAW-UHFFFAOYSA-N 406.482 4.886 0 40 HJAB O=C(CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)OCc1ccccc1 22738509 GVNVJIRDRVRSIA-UHFFFAOYSA-N 413.395 4.846 0 40 HJAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 23030144 RXXCNHGNPLFONF-QVRRQISLSA-N 409.574 4.652 0 40 HJAB O=C(COc1ccccc1)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 32204099 IKTDXSJISFWBJN-UHFFFAOYSA-N 421.453 4.526 0 40 HJAB Cc1c(CC(=O)O)c(=O)oc2c(C)c3occ(-c4ccc5c(c4)OCCCO5)c3cc12 36370116 QFCPONABCJSXAN-UHFFFAOYSA-N 420.417 4.611 0 40 HJAB biogenic CCn1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3c(-c4ccccc4)noc3n2)n1 36618476 DBZSMPMWWUYYIF-INIZCTEOSA-N 415.497 4.788 0 40 HJAB Cc1ccc([C@H](NCC(=O)Nc2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1 40158315 HWJKNMJVUHLRGC-INIZCTEOSA-N 406.326 4.725 0 40 HJAB Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccc(F)cc2)no1 44086982 AAUXCRYRTURQHT-UHFFFAOYSA-N 408.458 4.706 0 40 HJAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc2c(c1)OCO2 49005105 LCEWFOYIWCLYDE-QGZVFWFLSA-N 418.497 4.815 0 40 HJAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc2nsnc2c1 57316123 JLWJTZZIAUFSFP-UHFFFAOYSA-N 417.730 4.778 0 40 HJAB O=C(c1cnc2ccc(F)cc2c1N1CC=C(c2ccccc2)CC1)N1CCCC1 67287958 LKWDRVYYBZQVRD-UHFFFAOYSA-N 401.485 4.904 0 40 HJAB COc1ccc(-c2csc(CNC(=O)c3ccccc3Br)n2)cc1 72264943 HKPOLZIEORBPGI-UHFFFAOYSA-N 403.301 4.511 0 40 HJAB COc1ccc(NC(=O)CN2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)cc1 72357657 KVDBPRIGRLLVMF-XMMPIXPASA-N 419.500 4.596 0 40 HJAB Cc1cc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 108162778 HBGOOIRYGKRXTL-PASDCYSWSA-N 409.559 4.862 0 40 HJAB CCOc1cccc2sc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)nc12 141523946 SADXNOSMBUKOQI-UHFFFAOYSA-N 417.339 4.944 0 40 HJAB Cc1ccc(N2CCC(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)CC2)cc1 219858626 QUEBHAUVSJLNAZ-UHFFFAOYSA-N 419.569 4.866 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 222674479 AWVWGKVPNVEPTR-HNNXBMFYSA-N 421.368 4.868 0 40 HJAB CC(C)CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223204511 WZADDWCJUBJNNI-HSZRJFAPSA-N 412.549 4.584 0 40 HJAB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1 223272494 MXABPTSLYHGJNP-UHFFFAOYSA-N 412.536 4.621 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 223299271 SRGHEXYFYUBEQA-HSZRJFAPSA-N 424.585 4.876 0 40 HJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 223815097 JKRRTHXHFQMBMB-GOSISDBHSA-N 412.961 4.749 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1 223955540 IRWJMTLNVCVUBF-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1C1CCCC1 225005711 PNLWHDJCRJDSIX-HZPDHXFCSA-N 408.390 4.821 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 225120851 KQFBTOBAQZTGNJ-RBBKRZOGSA-N 424.585 4.631 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCS/C1=C/c1nc(-c2ccccc2F)no1 225242121 DITIWUYJRDZQGV-GZTJUZNOSA-N 401.850 4.717 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 225612721 NZSCBLYLKPQTNG-KKSFZXQISA-N 418.940 4.744 0 40 HJAB CC(C)C(=O)N1CCC[C@H]2[C@@H]1C[C@@](C)(Cc1ccc(F)cc1)N2C(=O)c1ccccc1 257200885 AFGHSLVZLCYJBT-JCYRPKCISA-N 422.544 4.689 0 40 HJAB OCc1ccccc1CN(Cc1cnn(-c2ccc(F)cc2)c1)c1ccc(F)cc1 257321237 WATBZGIZAANCGS-UHFFFAOYSA-N 405.448 4.850 0 40 HJAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4Cl)OCC[C@@]31C2 257339461 ZBVJOJWEFHXGGS-ZFTZQBIMSA-N 409.929 4.514 0 40 HJAB Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)c(C)c1 408700931 OMJFRYMRVSTPJU-UHFFFAOYSA-N 414.571 4.593 0 40 HJAB O=C(Nc1cccc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)c1)c1cccnc1 501796138 MYGYJLJHPKSZQO-UHFFFAOYSA-N 415.468 4.945 0 40 HJAB Cc1nc(O)cc(-c2ccc(NC(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@H]43)cc2)n1 513530087 HIFOPWASNBXHLT-QZNHQXDQSA-N 414.509 4.958 0 40 HJAB Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](CN4CCC(C)CC4)C3)cc2)nn1 608325220 IMIHFGJWFYAHNF-HXUWFJFHSA-N 423.561 4.553 0 40 HJAB Cc1nn(-c2cccc(F)c2)c2nc3c(c(N)c12)C(=O)C[C@@H](c1ccc(F)cc1)C3 618256259 HAGBVTPDSWEUIJ-AWEZNQCLSA-N 404.420 4.502 0 40 HJAB C[C@H]1Oc2ccccc2CCCCC2(CCN(CC3CCCCC3)CC2)CNC1=O 643563779 UTYRNYAZIBKYSZ-OAQYLSRUSA-N 412.618 4.959 0 40 HJAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)c1ncccn1 643581933 HGEGMJWNDIYLJH-NRFANRHFSA-N 416.525 4.538 0 40 HJAB Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)[C@@H]2CCC(=O)C[C@@H]2C)C3)cc1 1136626020 IOTSECBQPFSBSF-LAUBAEHRSA-N 419.525 4.529 0 40 HJAB CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(Cl)cc1 645667 NJYZUQKURPPTQY-UHFFFAOYSA-N 403.887 4.707 0 40 HJAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)c1 1068855 BPBLHYUZTCPQST-QHCPKHFHSA-N 410.477 4.973 0 40 HJAB CCOc1ccc2[nH]c(=O)c(-c3nc4ccc(C)cn4c3NCc3ccco3)cc2c1 1330423 ZQUHBYPBUCJYIL-UHFFFAOYSA-N 414.465 4.755 0 40 HJAB COc1ccc(C=O)cc1CSc1nnc(-n2nc(C)cc2C)c2ccccc12 1366897 AYTMUDDIBWKKSX-UHFFFAOYSA-N 404.495 4.546 0 40 HJAB Cc1cccc2cc(CN(Cc3ccco3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c12 1378189 ATTRKMDTLARYTN-UHFFFAOYSA-N 405.429 4.803 0 40 HJAB CCOc1ccccc1-c1nc(-c2ccc(-c3cccc(OC)c3)nc2OC)no1 2416420 GSMMSKCUVVUOJL-UHFFFAOYSA-N 403.438 4.882 0 40 HJAB CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1 2427522 YKRBEEJVABSCRQ-NRFANRHFSA-N 423.534 4.875 0 40 HJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1ccccc1 2690282 CAOWCAWFPRNHQI-UHFFFAOYSA-N 401.437 4.819 0 40 HJAB COc1ccc(OCCOC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 3296474 BBNVKRQVWJZYSN-UHFFFAOYSA-N 414.461 4.784 0 40 HJAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2cccc(C)c2)s1 3346908 KFDLGJPKMJLUPH-UHFFFAOYSA-N 400.529 4.720 0 40 HJAB Cc1cccc(NC(=S)NC2CCC(NC(=S)Nc3cccc(C)c3)CC2)c1 3360854 RNHYDATUAWLUIC-UHFFFAOYSA-N 412.628 4.888 0 40 HJAB CC(C)Cc1ccc([C@H](C)NC(=O)CN(C)CCOc2ccc(Cl)cc2)cc1 3429379 PPQJDTDZMUGXHN-SFHVURJKSA-N 402.966 4.727 0 40 HJAB OC[C@@H]1CCCN(c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c23)C1 3434604 AYVQQYDDBWZNFC-GOSISDBHSA-N 422.598 4.553 0 40 HJAB CC(C)(C)c1ccc(C(=O)NCCNc2ncnc3sc4c(c23)CCCC4)cc1 4241390 YAYMSOGBOCZOOX-UHFFFAOYSA-N 408.571 4.710 0 40 HJAB CCN(CC)CCN(C(=O)CCOc1ccccc1)c1nc2c(F)cccc2s1 4359478 DGXZMMWCIAOADV-UHFFFAOYSA-N 415.534 4.579 0 40 HJAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(Cl)s3)c3ccccc32)cc1 4555151 WDXFVPGSPROWFH-JOCHJYFZSA-N 411.910 4.717 0 40 HJAB O=C(O)C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 4581059 COQIHJOGQUWZIG-LBPRGKRZSA-N 401.768 4.511 0 40 HJAB CCCCOc1ccc(C(=O)N(Cc2nc(-c3ccc(OC)cc3)no2)C(C)C)cc1 4782943 HDAAXNNSKZJKHS-UHFFFAOYSA-N 423.513 4.975 0 40 HJAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1ccc(F)cc1 5333270 VLSZUFLRAGDXRY-LBPRGKRZSA-N 400.454 4.678 0 40 HJAB CC(=O)c1cccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)c1 6623865 RPYSXZOCMGYUPJ-UHFFFAOYSA-N 403.434 4.930 0 40 HJAB biogenic COc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1 6628193 VQWHVPVMQZMZOT-UHFFFAOYSA-N 420.509 4.950 0 40 HJAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)N[C@H](c1ccccc1)c1ccco1 7808789 RZBPUXTZZVWVBL-RUZDIDTESA-N 411.457 4.795 0 40 HJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(Br)c1 7914334 PKOFXNBTNSILTE-UHFFFAOYSA-N 406.667 4.724 0 40 HJAB COc1ccc([C@H](NC(=O)c2ccccc2SCC(C)=O)c2ccccc2)cc1 7984749 QBRNJIMEEXTHLH-HSZRJFAPSA-N 405.519 4.896 0 40 HJAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O 8625813 FZZQMHBNQBPUEM-GOSISDBHSA-N 415.468 4.753 0 40 HJAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1ccc(OCc2ccccc2)cc1 9089498 KVHLSVLNYUQCBW-UHFFFAOYSA-N 424.913 4.921 0 40 HJAB O=C(Nc1ccnn1Cc1ccncc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 9469676 PLNPHRWGFNMKQX-UHFFFAOYSA-N 414.309 4.616 0 40 HJAB Cc1cc(C(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)c(C)n1C 9729121 HDYHCZLZNPJRDA-UHFFFAOYSA-N 422.579 4.850 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)CSc3ccc4c(c3)CCC4)n2)cc1 9817651 YMMQFWKVGMVUCK-UHFFFAOYSA-N 423.563 4.988 0 40 HJAB O=C(COCC(=O)Nc1cccc(Cl)c1Cl)Nc1cccc(C(F)(F)F)c1 9833677 DLUGBHYEXSZXIX-UHFFFAOYSA-N 421.202 4.606 0 40 HJAB CCCOc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1 10499790 WEUREQARDJIZEB-UHFFFAOYSA-N 423.538 4.688 0 40 HJAB COc1ccccc1CN(Cc1coc2ccc(Cl)cc2c1=O)C[C@@H]1CCCO1 12187557 ZAGNIOJFJWNVDZ-IBGZPJMESA-N 413.901 4.636 0 40 HJAB COc1cccc(C(=O)c2c(N)c(C(=O)Nc3cccc(C)c3C)c3ccccn23)c1 12342019 SWMROSXWVWRTFN-UHFFFAOYSA-N 413.477 4.630 0 40 HJAB COc1ccc(-c2cc(-c3nn4c(-c5ccc(Cl)cc5)nnc4s3)no2)cc1 12409622 TWPDRARKTOIILK-UHFFFAOYSA-N 409.858 4.837 0 40 HJAB CCN1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccccc3C(C)C)cc2C)CC1 12520777 DTOLGEIOAWABQR-FQEVSTJZSA-N 408.590 4.699 0 40 HJAB CC(C)(C)c1cc(CCC(=O)NCc2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1O 12992857 WMJXJDURNIUAMM-UHFFFAOYSA-N 411.542 4.934 0 40 HJAB COc1cc2c(c3oc(=O)c(CC(=O)Nc4ccccc4C)c(C)c13)CCC(C)(C)O2 13689612 WECFJKWMBMNCJZ-UHFFFAOYSA-N 421.493 4.703 0 40 HJAB CCn1nc(C(=O)N(C[C@H]2CCCO2)c2nc3c(C)c(Cl)ccc3s2)cc1C 13703659 ZYHSKIWTINUDMC-CQSZACIVSA-N 418.950 4.609 0 40 HJAB CCOc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)ccc1OCC(C)C 15011303 RXAXFOAKHXRPRC-PDGQHHTCSA-N 402.560 4.510 0 40 HJAB Cc1csc([C@H](Cc2ccsc2)NC(=O)c2c(-c3cccnc3)noc2C)n1 19240191 NHHAIJPODBXFGF-INIZCTEOSA-N 410.524 4.585 0 40 HJAB FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CN(CCc3ccccc3)CCO2)c1 19693158 UPNNJOSHVPKTOH-FQEVSTJZSA-N 413.443 4.778 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3n2)cc1 20610076 VTWFXXHARREHKW-UHFFFAOYSA-N 416.481 4.570 0 40 HJAB Fc1ccc(-c2cnc(CN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)o2)cc1 22056237 ZROFKHJTNCPBEA-UHFFFAOYSA-N 419.422 4.817 0 40 HJAB Cc1ccnn1-c1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 24028912 KODFMDDHNBYOJH-UHFFFAOYSA-N 402.479 4.747 0 40 HJAB COc1ccc(CN(C)C(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)cc1F 24895019 ZOHBJUSNHQQDKB-UHFFFAOYSA-N 423.444 4.828 0 40 HJAB COc1ccc([C@@H](CC(=O)NC(C)(C)C)c2cc(Br)ccc2O)cc1 27517439 BDSMLGCPBIYUPW-MRXNPFEDSA-N 406.320 4.600 0 40 HJAB Cc1cccc(Cn2cc(Br)c(NC(=O)c3ccc(F)cc3F)n2)c1 28229143 AMYBEWJMVYLEAA-UHFFFAOYSA-N 406.230 4.533 0 40 HJAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2c(C)nn(CC(C)C)c2Cl)c(C)c1 29795810 MKDRHDUWTOZZQZ-INIZCTEOSA-N 405.926 4.610 0 40 HJAB CC(=O)N[C@@H](CC(=O)N(CC(C)C)c1nc2ccccc2s1)c1cccs1 32878862 ATSWTKADKYFKLL-INIZCTEOSA-N 401.557 4.614 0 40 HJAB Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)nc1-c1ccc(Cl)cc1Cl 35897680 ZYJKAIFSLASNEB-QPNXVFALSA-N 423.321 4.887 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)Cc1cccc(Cl)c1Cl 36874527 XDOLBXDFMRBPKX-IBGZPJMESA-N 403.309 4.916 0 40 HJAB COc1ccc(-c2csc(-c3nnn(-c4cccc(C(F)(F)F)c4)c3N)n2)cc1 38486917 DLGXFXPXUKNNTK-UHFFFAOYSA-N 417.416 4.667 0 40 HJAB CNC(=O)c1cccc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1C 40134102 BMTNDAAFMRLZGZ-UHFFFAOYSA-N 421.545 4.538 0 40 HJAB CCNC(=O)COc1cccc(NC(=O)c2sc(-c3ccccc3)cc2OCC)c1 40145413 YAIFUCSKLTXOAN-UHFFFAOYSA-N 424.522 4.581 0 40 HJAB COc1ccc(Cn2c([C@@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)cc1 40251436 ZLFTWKGZIAPLNL-HXUWFJFHSA-N 411.505 4.922 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 48374753 KDDHCYNAXCSMEL-LIRRHRJNSA-N 413.880 4.575 0 40 HJAB O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)C2CCCCC2)c1 58162916 AUDLRXLUMDIIMU-UHFFFAOYSA-N 402.292 4.615 0 40 HJAB COc1ccc(-c2nc(C)c(C(=O)Nc3nc(-c4ccccn4)cs3)s2)cc1 61719937 HMSSAFYXAMEYNS-UHFFFAOYSA-N 408.508 4.898 0 40 HJAB CCC[C@H](CC(=O)O)c1c(OC)c(CC=C(C)C)c(O)c2c1O[C@@H](C)[C@@H](C)C2=O 72320172 UDVTWMLZUGXNQM-QLFBSQMISA-N 404.503 4.868 0 40 HJAB biogenic,in-vitro Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1Cc1c(C(N)=O)sc2ccccc12 72370311 TVADSVYPSZBPQB-QGZVFWFLSA-N 410.587 4.602 0 40 HJAB Fc1ccc(OCCc2cc([C@@H]3CCCN3Cc3ccc4[nH]ccc4c3)n[nH]2)cc1 72378355 UUYILHVLPCAYOS-DEOSSOPVSA-N 404.489 4.989 0 40 HJAB COc1ccccc1CCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2Cc1ccccc1 72396204 VUAQNMKHNXECIF-JOCHJYFZSA-N 417.553 4.703 0 40 HJAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1cc(-c2ccco2)on1 72396977 ONNYPFMUMNTMMX-QGZVFWFLSA-N 422.872 4.640 0 40 HJAB CC(C)(C)c1ccc(COc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1 100390913 OWYZSHZFJJDXCL-PTRHGPIFSA-N 401.506 4.875 0 40 HJAB COC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2 167411893 BDZJLNJMNLCLOZ-UHFFFAOYSA-N 404.249 4.725 0 40 HJAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 195529333 SPLRYQBIIXAWSV-JFIYKMOQSA-N 415.452 4.563 0 40 HJAB CC[C@@H](C(=O)Nc1cccc2ccccc12)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220559728 UEZMBPQPXAQFHZ-QFIPXVFZSA-N 410.539 4.640 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1C 222948812 DOOLSRSADXFKFW-FQEVSTJZSA-N 412.599 4.562 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 224244569 AGUBDKMBJZYXAU-XMMPIXPASA-N 406.570 4.794 0 40 HJAB CC(C)(C)CC(C)(C)NC(=O)CCCN(c1ccc2ccccc2c1)S(C)(=O)=O 224686505 RJVATTUZUUOANF-UHFFFAOYSA-N 418.603 4.717 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 224732275 YZMSQVOJYKIYOP-HXUWFJFHSA-N 412.599 4.562 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 225036930 NQOLKNHVCSFSFQ-FCHUYYIVSA-N 424.585 4.794 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 225080802 HBOUZLWHAVHVHF-NHCUHLMSSA-N 424.585 4.829 0 40 HJAB COc1cc(C)c(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1C(C)C 225183959 DAZBGMBSFYKTAK-UHFFFAOYSA-N 419.587 4.782 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccc(C)cc2)c1 225293785 DMJUYYLKAHGERJ-UHFFFAOYSA-N 402.585 4.700 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c(N)c1 226348120 QSQIJLNDAZSKTD-UHFFFAOYSA-N 401.260 4.942 0 40 HJAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CC2)CC1 257213114 CGFHEEPKYNVRAV-UHFFFAOYSA-N 410.583 4.501 0 40 HJAB CCc1ccc(CN2CCCC[C@@H]2c2n[nH]cc2C(=O)N(C)Cc2ccccc2)cc1 257259103 KWVKLSDUOBEXQO-XMMPIXPASA-N 416.569 4.972 0 40 HJAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCC2)c1 408549964 ABXKAGHEHVPCQV-UHFFFAOYSA-N 420.962 4.820 0 40 HJAB O=Cc1cc(Br)c(Sc2nnc(COc3ccc(Cl)cc3)o2)o1 408552773 NRCJDHHIISPMCP-UHFFFAOYSA-N 415.652 4.621 0 40 HJAB CS(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1cccc2ccccc12 408581749 UEZSXQSVSHHFHW-UHFFFAOYSA-N 423.321 4.551 0 40 HJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)ccc3OC)S2)cc1 408776805 QWZXGQOJIJDHKG-DPWKNNTCSA-N 419.344 4.620 0 40 HJAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 409212861 RDHJVCMTJHBGNZ-DHDCSXOGSA-N 415.342 4.678 0 40 HJAB CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(COC3CCCCC3)c2)ccc1C 522881518 GGJHBHJWLZCTBP-UHFFFAOYSA-N 416.543 4.604 0 40 HJAB C[C@]1(c2ccccc2)CC[C@@H](N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)C1 1615055775 OQYOQTVVCCBVID-VIZSFHNOSA-N 416.487 4.906 0 40 HJAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(CCC(=O)N4CCC(O)CC4)ccc3O2)cc1 2037875175 KWUUVZJKWYVZCX-MHZLTWQESA-N 421.581 4.662 0 40 HJAB Cc1c(O)ccc2c1O[C@]1(C[C@@H]2c2ccccc2Cl)CC(C)(C)NC(=S)N1 875567 CIODQKZTZULPIE-QVKFZJNVSA-N 402.947 4.611 0 40 HJAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)c1 1068851 BPBLHYUZTCPQST-HSZRJFAPSA-N 410.477 4.973 0 40 HJAB Cc1cc(C)c2nc(Cl)c(CN(Cc3ccccc3)C(=O)N3CCOCC3)cc2c1 1364813 SCKRRMRHPVXZCG-UHFFFAOYSA-N 423.944 4.959 0 40 HJAB CCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 2088164 KPRPUMOJEZXLMR-GXTWGEPZSA-N 421.250 4.990 0 40 HJAB COc1ccc(Nc2nnc(SCc3cc(=O)oc4cc(C)ccc34)s2)cc1 2628980 OAWRKKWMTJKRLJ-UHFFFAOYSA-N 411.508 4.997 0 40 HJAB CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5c(Cl)cnn5C)nc4c23)C1 2797753 FVQRIAMHKYTYNE-LLVKDONJSA-N 414.966 4.934 0 40 HJAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC4CCCCC4)c3N2)cc1 3012827 INFKBITWMJUEPP-ZWKOTPCHSA-N 406.452 4.914 0 40 HJAB O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(c2ccccc2O)CC1 3270668 KWOUCSWISXGOAB-UHFFFAOYSA-N 407.322 4.876 0 40 HJAB Cc1ccc(CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 3408799 NIBKRFZDSHDOBK-UHFFFAOYSA-N 410.583 4.714 0 40 HJAB O=C(COc1ccccc1)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 4122844 NRPUBYQYVFMBLA-UHFFFAOYSA-N 419.531 4.855 0 40 HJAB COc1ccc([C@H](c2c(-c3ccccc3)n(O)c3ccccc23)N2CCOCC2)cc1 4247763 FZNQEUJMJZGYNA-RUZDIDTESA-N 414.505 4.976 0 40 HJAB CCN(CC)c1ccc(NC(=O)CCC(=O)Nc2ccc(N(CC)CC)cc2)cc1 4599958 JNVRVGYORYCHFY-UHFFFAOYSA-N 410.562 4.736 0 40 HJAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1ncnc2c(-c3ccc(F)cc3)nsc12 4885998 MUKYFAXMEFAQCP-WFASDCNBSA-N 416.547 4.679 0 40 HJAB CC[C@@H](C)c1ccccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 5318904 IGCMFYQDWZBBHY-LSDHHAIUSA-N 409.555 4.735 0 40 HJAB CCCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 6026296 ACPLMVGZFMAARQ-UHFFFAOYSA-N 408.571 4.850 0 40 HJAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cc3ccccc3o2)cc1 6630447 PDGJHCZAROODCH-UHFFFAOYSA-N 400.434 4.852 0 40 HJAB CC1CCC(N(C)C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)CC1 7427766 WVWJJHPIUPYDHR-UHFFFAOYSA-N 402.539 4.548 0 40 HJAB Cc1ccc(-n2ccnc(SCC(=O)Nc3cc(Cl)ccc3C)c2=O)cc1C 7615793 UJQNXLWEGDFEJJ-UHFFFAOYSA-N 413.930 4.542 0 40 HJAB CC[C@@H](C)c1ccccc1NC(=O)COc1ncnc2ccc(Br)cc12 7779896 MBZAOMAEAWKTGK-CYBMUJFWSA-N 414.303 4.923 0 40 HJAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(Br)c2)o1 7997227 WZZICCBBLWDRHA-SNVBAGLBSA-N 414.325 4.710 0 40 HJAB O=C1c2ccccc2N[C@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1C1CC1 8156331 ZWCYCRCKNQPOJG-DEOSSOPVSA-N 410.477 4.642 0 40 HJAB COc1ccccc1-c1n[nH]c(=S)n1NCc1cc(Cl)cc(Cl)c1OC 8496566 JMVAPCXAJDKTKU-UHFFFAOYSA-N 411.314 4.675 0 40 HJAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3c(F)cccc3F)cc21 8959747 BGLDJVCUIBOEND-UHFFFAOYSA-N 402.441 4.625 0 40 HJAB COc1ccc(NC(=O)Nc2nnc(SCc3ccccc3F)s2)cc1OC 9324892 BHQLZQCADXOHLC-UHFFFAOYSA-N 420.491 4.631 0 40 HJAB CC(C)[C@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 9711286 RVEVUVDHQUNMIY-IBGZPJMESA-N 408.420 4.673 0 40 HJAB COc1ccc(CN(Cc2ccc(C)o2)C[C@@H]2CCCO2)cc1Cn1nc(C)cc1C 12187437 WAQXMBCNSIPTQW-QHCPKHFHSA-N 423.557 4.639 0 40 HJAB Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1 12293485 KAJQPPIXJILCML-ZEQRLZLVSA-N 403.522 4.532 0 40 HJAB CCC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)C1 12418588 XPCARUDWUHWMFW-JJHGTGHCSA-N 423.528 4.982 0 40 HJAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCCC(c1ccccc1)c1ccccc1 12764200 WSUQTAURTWJCAP-FQEVSTJZSA-N 410.517 4.840 0 40 HJAB CCc1cccc(NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)c1 12810855 LXJWSHZOMZHPGV-UHFFFAOYSA-N 415.522 4.769 0 40 HJAB CCOc1ccc(CN(C)C(=O)/C=C/c2ccc3cc(OC)ccc3c2)cc1OC 12852511 MIHQUBQNJDCNJV-MDWZMJQESA-N 405.494 4.928 0 40 HJAB COc1cc(C(=O)Nc2ccccc2N2CCCC2=O)cc(Cl)c1OC(C)C 12867567 DYQHIJCQWFAEPF-UHFFFAOYSA-N 402.878 4.515 0 40 HJAB Cc1cc(C)c(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c(Cl)c1 13001832 UQOUBADFGZOQQT-UHFFFAOYSA-N 415.946 4.636 0 40 HJAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Oc1ccccc1Br 13140845 QWPJLWSMLTXNII-UHFFFAOYSA-N 411.251 4.665 0 40 HJAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)CSc1ccc(Cl)cc1 14236197 YLWZLZJSLAMKAM-UHFFFAOYSA-N 401.919 4.919 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@H]3CC=CCC3)CC1)N2 19084096 KXZUBYVOBCZYEX-OKZBNKHCSA-N 420.548 4.766 0 40 HJAB CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(OCc2ccccc2)cc1 19810210 OAENEQKEMHFNNY-VWLOTQADSA-N 401.506 4.756 0 40 HJAB Clc1ccccc1-c1nnc(CSc2nnc(COc3ccccc3)o2)o1 19929090 UAUDLUCHYOLTPV-UHFFFAOYSA-N 400.847 4.644 0 40 HJAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(Br)cc2)cc1 19933294 ZPELVHIDFJPEEE-GOSISDBHSA-N 412.349 4.523 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)cc1Cl 20017448 OPZCOAODYHNVRF-UHFFFAOYSA-N 424.707 4.882 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccccc4)cc3n2)cc1Cl 20610825 DTOSNZIFTLCHAH-KPKJPENVSA-N 404.857 4.734 0 40 HJAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21577246 ZKCYGPLNANDVDO-UHFFFAOYSA-N 415.534 4.732 0 40 HJAB CCN1CCN(c2ccccc2NC(=O)CCSc2ccc(Cl)cc2)CC1 23229051 NVHJCYSCURSVJQ-UHFFFAOYSA-N 403.979 4.603 0 40 HJAB O=C(CN1CCC([C@@H](O)c2ccccc2)CC1)Nc1ccccc1Oc1ccccc1 26115434 KTWBTHOSMTYFFK-SANMLTNESA-N 416.521 4.863 0 40 HJAB COc1cc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c(OC)cc1Cl 30942765 FHJQGBXCODMYPZ-UHFFFAOYSA-N 402.922 4.841 0 40 HJAB COc1ccc(Cl)c(NC(=O)[C@@H]2CC(O)=Nc3cc(-c4ccc(F)cc4)nn32)c1 32092535 LTFUXWWMSYHCCW-KRWDZBQOSA-N 414.824 4.523 0 40 HJAB CCCCc1ccc2nc(NC(=S)NC(=O)COc3cccc(C)c3)sc2c1 32118680 DWNHNHDRUYBTMX-UHFFFAOYSA-N 413.568 4.839 0 40 HJAB O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1sc2ccccc2c1Cl 32758460 CZCLIKREVCRQTI-INIZCTEOSA-N 409.898 4.699 0 40 HJAB C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@H](C(F)(F)F)C1 35600921 DQZANKNRDMSXIM-UWVGGRQHSA-N 402.766 4.960 0 40 HJAB Cc1c(Br)ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@@H]3C2=O)c1C 36007155 QFCWVRAAUSWKHF-QEXBRPHWSA-N 424.338 4.995 0 40 HJAB Cc1ccc(C)c(OC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c1 41077662 YZSGFQNVRYVBBG-UHFFFAOYSA-N 419.300 4.814 0 40 HJAB Cc1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)cc1Cl 48986875 GCXUBIXLHXSZIZ-UHFFFAOYSA-N 420.943 4.787 0 40 HJAB CN(CCOc1ccccc1F)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 58880406 CEAAKSGOKZFKSX-UHFFFAOYSA-N 422.382 4.573 0 40 HJAB COc1ccc([C@H]2SCC(O)=Nc3c2cnn3C)cc1OCc1ccc(C)cc1 61718399 XYFBQHSREHXCDO-OAQYLSRUSA-N 409.511 4.740 0 40 HJAB O=C(c1cnc2ccccc2c1Nc1ccc(F)c(Cl)c1)N1CCSCC1 64471853 GQPJDBJMLZYKIQ-UHFFFAOYSA-N 401.894 4.960 0 40 HJAB O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(F)cc(F)c1 67292944 JUYMONQKWJBBRC-PUOGRZEHSA-N 418.827 4.506 0 40 HJAB Clc1cccc(C2(c3nnc(-c4cc(-c5ccccc5)n[nH]4)o3)CCOCC2)c1 71889833 NWDSUPGZSRHKDI-UHFFFAOYSA-N 406.873 4.877 0 40 HJAB C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccc(N2CCCCC2)cc1 72294151 JDXCQYVPKPKVOT-OAQYLSRUSA-N 406.574 4.805 0 40 HJAB CN(C)[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1cn(C)c2ccccc12 77171682 MJIRUAHZCATGOS-IBGZPJMESA-N 404.436 4.622 0 40 HJAB O=C(Nc1cc(F)c(F)cc1F)C(=O)N[C@@H](CC(F)(F)F)c1ccc(Cl)cc1 95455023 PQGSLJBIWGNVAH-AWEZNQCLSA-N 424.728 4.506 0 40 HJAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 219052174 JQQQYRPTBIJMJL-GOSISDBHSA-N 404.510 4.719 0 40 HJAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)O)c3)o2)S1 222630766 NGJCAHJBVGQSGX-MRFFXTKBSA-N 405.479 4.629 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2C(C)C)cc1 222669874 XYEYMAOIIMFIMY-JCMHNJIXSA-N 404.466 4.821 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 223920562 AVNKIRSQEKOOLX-MRXNPFEDSA-N 421.368 4.706 0 40 HJAB Cc1cnc(NC(=S)NCC2(c3ccccc3)CCCC2)c(Br)c1 223971692 RBVFNYIIFHLRIS-UHFFFAOYSA-N 404.377 4.951 0 40 HJAB Cc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1Cl 224167746 TUHCNMRLWGRGHN-UHFFFAOYSA-N 421.368 4.709 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc1 224338542 HKZXMTPQMCEWDL-UHFFFAOYSA-N 420.962 4.536 0 40 HJAB CCOCc1cc(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)ccc1OCC 224701695 VNRLRZVFLCFZPD-UHFFFAOYSA-N 413.495 4.875 0 40 HJAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 224986508 AZAYRTVVARIWNO-HSZRJFAPSA-N 410.533 4.625 0 40 HJAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225414404 APYCSBOUPHDWJC-HSZRJFAPSA-N 410.533 4.625 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCC[C@H](C)C1 225716009 ICUBCHOLMGFYGK-GBXCKJPGSA-N 402.579 4.865 0 40 HJAB CCCOc1c(OC)cccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)CC 257249363 JHXQBXBFSQMFQO-HQACLXBPSA-N 415.574 4.893 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)[nH]n1 257272566 NCWUMSKOUZUPGZ-MRXNPFEDSA-N 412.921 4.785 0 40 HJAB CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)CC(C)C)CC1 257338682 YYMSDDNSIZWOBZ-UHFFFAOYSA-N 412.599 4.749 0 40 HJAB Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(Br)c(C)c2C)CC1=O 408639120 FHTUPNIUUJZWMV-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O 408673387 WSMPXOMJIJULRA-GOSISDBHSA-N 421.880 4.974 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 409344354 JCLFTGPURQQJQD-UHFFFAOYSA-N 422.550 4.943 0 40 HJAB Cc1cc(C)c2c(C)c(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)oc2c1 634058 AHTNMFICYQUALE-UHFFFAOYSA-N 414.508 4.624 0 40 HJAB O=C(NCc1cccs1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 865971 FXJHEMTUGNGZDD-HOCLYGCPSA-N 424.423 4.674 0 40 HJAB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)Nc3ccccc3)cc12 878554 AQRFDSLLVVUPLI-HXUWFJFHSA-N 421.566 4.523 0 40 HJAB COc1ccc(C(=O)Nc2cc3c(cc2C(=O)c2ccc(Cl)cc2)OCCO3)cc1 1423990 IGACXPALGPYVDC-UHFFFAOYSA-N 423.852 4.603 0 40 HJAB COc1ccc2c(c1)c(C(=O)COc1ccc3c(C)c(C)c(=O)oc3c1C)c(C)n2C 2095991 JMFMYZHNOQYDAM-UHFFFAOYSA-N 419.477 4.789 0 40 HJAB biogenic CC[C@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(F)cc1)CC2=O)c1ccccc1 2423654 QBMLRYMSEPUNGW-MJGOQNOKSA-N 403.457 4.661 0 40 HJAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)n1C 3317927 SDRKJWSPJDBAST-CYBMUJFWSA-N 420.460 4.929 0 40 HJAB Cc1cc(C)c(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c(Cl)c1 3352199 WIPLVBGRDKMXMR-UHFFFAOYSA-N 417.896 4.967 0 40 HJAB COc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 3371164 YVGQTFAHLCSVPY-JOCHJYFZSA-N 422.912 4.526 0 40 HJAB O=C(CSc1nc(-c2ccccc2)ns1)Nc1ccc(OC(F)(F)F)cc1 4167272 IFJQLOJLGYRDAF-UHFFFAOYSA-N 411.430 4.835 0 40 HJAB CC(=O)c1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)c(C)c2)c1 4649049 JWUQVTQUDISKLY-HMAPJEAMSA-N 418.518 4.977 0 40 HJAB Cc1cccc(C)c1-n1nnnc1C(C)(C)N(N=O)c1cccc(C(F)(F)F)c1 4844061 NDKQRHNJCFQRDL-UHFFFAOYSA-N 404.396 4.721 0 40 HJAB CC(C)C(=O)Nc1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)s1 4905847 HHEWJLYAUYLGQH-UHFFFAOYSA-N 424.636 4.719 0 40 HJAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 5394781 PRDZSNSKJXCSSU-UHFFFAOYSA-N 402.338 4.687 0 40 HJAB CCn1c(SCCOc2ccccc2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 6226103 ZWGNFYCJQPBWEO-FQEVSTJZSA-N 424.570 4.596 0 40 HJAB CCOc1cc(C(=O)Nc2ccc(CN(CC)CC)cc2)cc(OCC)c1OCC 6325227 BAXXWTBQHKNIDD-UHFFFAOYSA-N 414.546 4.977 0 40 HJAB CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N(c1ccccc1)c1ccccc1 6674399 RAKHZHLVAGEFPP-UHFFFAOYSA-N 401.466 4.521 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@@H](NC1CCN(Cc2ccccc2)CC1)c1ccccc1 6862669 FFHZEKQEOYRNLI-VWLOTQADSA-N 417.528 4.760 0 40 HJAB Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 6959441 UERQLACBSJGRKU-UHFFFAOYSA-N 418.522 4.501 0 40 HJAB CCOc1ccc(CN(C)C(=O)c2ccccc2OCc2c(C)noc2C)cc1OC 7737020 HTCYSBXFMPZKJS-UHFFFAOYSA-N 424.497 4.550 0 40 HJAB CCOc1ccc2oc(C(=O)OCC(=O)Nc3ccc(N(CC)CC)cc3)c(C)c2c1 7780449 VZYLZLAPOYDIMN-UHFFFAOYSA-N 424.497 4.782 0 40 HJAB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 7881798 WZFIZRNHRGTTRH-FQEVSTJZSA-N 400.478 4.775 0 40 HJAB O=C(Cc1csc(-c2ccc(F)cc2)n1)NCC1(N2CCCCC2)CCCCC1 8324873 KZWDDIFVJFEDCU-UHFFFAOYSA-N 415.578 4.797 0 40 HJAB COc1ccc(-c2noc(COC(=O)c3ccc(C4SCCS4)cc3)n2)cc1 8332545 OIOMWNUCNCRXED-UHFFFAOYSA-N 414.508 4.581 0 40 HJAB CCc1cccc(CC)c1NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10334918 KDWUIMLNZJTRKK-UHFFFAOYSA-N 416.587 4.514 0 40 HJAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)Cc2c(F)cccc2Cl)C1 12238554 WMNUEUZFUZGXPO-LJQANCHMSA-N 424.907 4.704 0 40 HJAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C/C(=O)N1C[C@H](C)O[C@H](C)C1 12457470 JPHVKPVLZGWSJU-DTEKQVELSA-N 422.356 4.504 0 40 HJAB CCOc1ncccc1C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 12913575 LSCRQFNTTBLQCZ-UHFFFAOYSA-N 412.493 4.605 0 40 HJAB COc1ccc(C)cc1NC(=O)Cn1c(COc2ccc(C)cc2)nc2ccccc21 13040985 PVLJBUUHWMKOSH-UHFFFAOYSA-N 415.493 4.879 0 40 HJAB C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCc1ccco1 13554642 MFAZDBZECVQQAO-CQSZACIVSA-N 423.852 4.790 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 13752013 XFYFLCISZAVKQO-UHFFFAOYSA-N 422.510 4.781 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 14007035 YLIDZUQRBWSIJO-QGZVFWFLSA-N 422.912 4.719 0 40 HJAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cccc(C)c1C 14117483 XGUMJPJAHRCCPR-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/C=C\c3ccccc3)C2=O)c1 16248792 FIDCQHVEXCLORU-CHYDROOSSA-N 410.520 4.640 0 40 HJAB O=C(C1CC1)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 19294061 FBIAITVIASLSSB-GOSISDBHSA-N 417.488 4.537 0 40 HJAB COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(C4CCCCC4)C[C@H]23)c1 19566314 GNJMVHCPWOHPKR-UBFVSLLYSA-N 410.602 4.834 0 40 HJAB Cc1nc([C@@H]2CCCN2C2CCCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19743118 UTNGFMUNJHAGQH-QFIPXVFZSA-N 422.548 4.873 0 40 HJAB CCCCC1CCC(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 19901839 NAHZRNXGSCUMAH-ZNIKRAEXSA-N 406.998 4.826 0 40 HJAB CCOC(=O)c1cnc2c(c(C)nn2CC)c1NCc1ccc(C(F)(F)F)cc1 20219276 JZCLRYFFVANQEL-UHFFFAOYSA-N 406.408 4.567 0 40 HJAB O=C(Nc1ccc2c3c(cccc13)CC2)c1occc1CS(=O)(=O)c1ccccc1 22020717 DTCCXWSMJJGXTK-UHFFFAOYSA-N 417.486 4.758 0 40 HJAB Cc1nc(-c2cc(C)n(CC(=O)NCc3ccccc3OC(F)(F)F)c2C)cs1 22760713 NSKRMMOIUBFBSK-UHFFFAOYSA-N 423.460 4.752 0 40 HJAB COc1ccc(CN2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1 24118801 NWSOKAABEVAZOT-UHFFFAOYSA-N 410.901 4.567 0 40 HJAB COc1ccc2cc([C@@H](C)C(=O)NCc3cccc(NC(=O)C4CC4)c3)ccc2c1 24837242 UUUXULDMGNGRRS-MRXNPFEDSA-N 402.494 4.617 0 40 HJAB COc1ccc2nc(NC(=O)Cn3c(C)cc(-c4csc(C)n4)c3C)sc2c1 25249099 JVNFTRVFAOMPJX-UHFFFAOYSA-N 412.540 4.794 0 40 HJAB Cc1cccc(C)c1NC(=O)CCCSCCC(=O)Nc1ccc2c(c1)OCO2 27186027 JPHLXVUCVKDUAE-UHFFFAOYSA-N 414.527 4.513 0 40 HJAB COc1ccccc1C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@H]1c1ccccc1 28048103 YOWKWORCAWMAIB-JOCHJYFZSA-N 406.869 4.533 0 40 HJAB CC(=O)[C@H](CN(C(C)C)C(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841667 OUEQETVIEFWKSK-JTHBVZDNSA-N 421.537 4.955 0 40 HJAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 32915941 KKHQIANTPDQWMJ-UHFFFAOYSA-N 405.932 4.788 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 33899902 QHXGQAMGCBXHDS-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(OC(F)(F)F)cc2)cc1O 40266366 WMWMCKDNRDERCU-CQSZACIVSA-N 419.359 4.609 0 40 HJAB Cc1ccc(CN2CCC(C(=O)NCCCc3cccc(OC(C)C)c3)CC2)cc1 44916138 JYASCGCNEWXJOV-UHFFFAOYSA-N 408.586 4.743 0 40 HJAB O=C(NCCC1=CCCCC1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 49005969 QOZKONZUMSPURN-UHFFFAOYSA-N 406.530 4.880 0 40 HJAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)CSC1=Nc2ccccc2CS1 53615533 TZHOYMOAUVHHOC-KRWDZBQOSA-N 414.600 4.799 0 40 HJAB Cc1ccc(-c2nc(C(=O)N[C@@H](C)c3nc(-c4ccc(F)cc4)no3)cs2)cc1 58167415 NVVVCVADNRGRPU-ZDUSSCGKSA-N 408.458 4.799 0 40 HJAB Cc1cc(NC(=O)c2cccc(OC(C)C)c2)cc(C)c1I 59294466 IMRPKSQUAFBEDB-UHFFFAOYSA-N 409.267 4.948 0 40 HJAB COc1cccc(-c2csc3ncc(C(=O)Nc4c(C)cc(C)cc4C)c(=O)n23)c1 64787964 PHZBMUWNMCJUTD-UHFFFAOYSA-N 419.506 4.609 0 40 HJAB COc1ccc(CCCNC(=O)c2ccccc2OCc2ccccc2)cc1OC 65086290 XQVGYGPCPCVLJI-UHFFFAOYSA-N 405.494 4.645 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1[C@H](C)CC 67238967 HNZIVNRRPOYMEN-OAHLLOKOSA-N 412.559 4.606 0 40 HJAB COc1cc(OC)c([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)cc1OC 71287694 MQDVXKQZOAACHV-GOSISDBHSA-N 403.504 4.616 0 40 HJAB C/C(Cl)=C/CNc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 72340128 XPWVRBXPKVNCKH-SXGWCWSVSA-N 423.923 4.791 0 40 HJAB CN(C(=O)c1cccc(C(=O)N(CCC(F)(F)F)C2CCC2)c1)c1ccccc1 79055310 UNWWOOREVDBBAR-UHFFFAOYSA-N 404.432 4.910 0 40 HJAB O=C(Nc1cc(F)c(F)cc1F)C(=O)N[C@H](CC(F)(F)F)c1ccc(Cl)cc1 95455022 PQGSLJBIWGNVAH-CQSZACIVSA-N 424.728 4.506 0 40 HJAB CC1(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CCN(Cc2ccccc2)CC1 96012343 PGYZDGCZBPCRAJ-JOCHJYFZSA-N 412.961 4.542 0 40 HJAB O=C(CSC1=N[C@@H]2Nc3ccccc3[C@H]2N=N1)c1ccc(Br)cc1 96191566 IAFNBRWCIVSKTH-CVEARBPZSA-N 401.289 4.680 0 40 HJAB COc1cccc(-c2noc(CNC(=O)CCCSc3ccc(Cl)cc3)n2)c1 222696689 DMWCBNAQJUUMOY-UHFFFAOYSA-N 417.918 4.587 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(C)c(C)c2)cc1 222747689 SRPCPQZARSTIBE-STZFKDTASA-N 406.507 4.783 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1C1CCCCC1 223089813 LNQAZSACRSGDRL-PKTZIBPZSA-N 417.582 4.632 0 40 HJAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 223408626 MOVNULQONDJVMD-OALUTQOASA-N 415.971 4.978 0 40 HJAB Cc1nc(NC(=S)NCC2(c3ccccc3)CCOCC2)c(Cl)cc1Cl 224010362 CTEVATLUMQVZFK-UHFFFAOYSA-N 410.370 4.732 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224264377 NQJLMSZVWLEUQX-LJQANCHMSA-N 414.977 4.771 0 40 HJAB CCc1ccc(OCC(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)c(Br)c1 224437299 CDIMDZQGFGIGGM-SFHVURJKSA-N 420.347 4.975 0 40 HJAB CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224970740 QNPWPMRYSNLJFJ-UHFFFAOYSA-N 409.935 4.885 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2SC)cc1 225125187 AWCYIQVZJMDVDH-RGEXLXHISA-N 424.547 4.888 0 40 HJAB Cn1cc(CN2CCC(c3cccc(Nc4cnccn4)n3)CC2)c2cc(F)ccc21 257323005 WIJNNCBHQZQDMN-UHFFFAOYSA-N 416.504 4.626 0 40 HJAB OCc1ccccc1CN(Cc1ccccc1)Cc1cccc(OC[C@H]2CCCO2)c1 257339334 ZBHAIMAPXREVAP-HHHXNRCGSA-N 417.549 4.939 0 40 HJAB CCCO[C@](C)(C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1)C1CC1 260812451 BWGUMYLBEUQVIQ-JXQFQVJHSA-N 402.579 4.577 0 40 HJAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccc(OC)c(OC)c1 408561198 HCOIPJWBIGRNTE-VHXPQNKSSA-N 410.539 4.920 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(F)c(Cl)c1 408703934 WKBFVFWJEBALOL-UHFFFAOYSA-N 424.925 4.605 0 40 HJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)Oc3ccc(Cl)cc3)c1)C2=O 408721589 JOABXLSICPMSSR-FDDCHVKYSA-N 411.885 4.875 0 40 HJAB COc1cc(/C=C\C(N)=O)cc(Br)c1OCc1cccc2ccccc12 409416130 BNIVGKCZPWZNSH-KTKRTIGZSA-N 412.283 4.688 0 40 HJAB COc1ccc([C@H]2SCCN2C(=O)/C=C/c2cccs2)cc1Br 1565523277 KWQASEYQIPUIAS-QQOXCAACSA-N 410.358 4.807 0 40 HJAB COc1cccc(C2(CNC(=O)N3CCCC[C@@H]3c3ccc(F)cc3F)CC2)c1 1683006598 ODIFJMQEHHRLHD-OAQYLSRUSA-N 400.469 4.942 0 40 HJAB COc1cc(Br)ccc1OCOc1ccc(Br)cc1OC 2362803855 UPTOVJQKHBHSHX-UHFFFAOYSA-N 418.081 4.644 0 40 HJAB COc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1Cl 855725 ABMQYMQIMUILCP-UHFFFAOYSA-N 422.049 4.859 0 40 HJAB CC(C)CCOC(=O)[C@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1c1ccccc1 1322385 SIEQNYRGGIAZML-OALUTQOASA-N 417.299 4.706 0 40 HJAB biogenic CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCN1CCCCCC1 1807224 LHWDDLJYGPNHND-UHFFFAOYSA-N 400.544 4.796 0 40 HJAB CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1ccc(C(C)(C)C)cc1 2463416 MRKDQAIPKLSDRN-WMZOPIPTSA-N 400.544 4.586 0 40 HJAB O=C(CN(Cc1ccco1)C(=O)/C=C/c1ccco1)Nc1ccccc1C(F)(F)F 3433532 RCDHFUFXIFILDQ-MDZDMXLPSA-N 418.371 4.572 0 40 HJAB C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)Nc1ccccc1 3465955 QIEFUDYAEBRNEK-OAHLLOKOSA-N 419.481 4.644 0 40 HJAB COc1cc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc(OC)c1 4089767 FLOPCVBIWSPIGP-UHFFFAOYSA-N 421.449 4.663 0 40 HJAB biogenic Cc1ccc(OCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c(C)c1 4910803 LLNIAQNXQKGBRI-IBGZPJMESA-N 405.542 4.847 0 40 HJAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)NC12CC3CC(CC(C3)C1)C2 4964242 JUYPVMLZWBQLOW-UHFFFAOYSA-N 417.505 4.552 0 40 HJAB CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]2Cc3occc3[C@H](C)[C@@H]12 5368607 ZRIFHZYKUAYXCS-DGHNFNHTSA-N 402.531 4.881 0 40 HJAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cccc2ccccc12 5443422 SESVSJHHSRRXAZ-UHFFFAOYSA-N 408.552 4.834 0 40 HJAB CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 5485178 QKGNXMPJMDVSQT-UHFFFAOYSA-N 423.586 4.576 0 40 HJAB CC(C)COc1cccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c1 6364529 QMSMZJOIHHBSGW-UHFFFAOYSA-N 414.461 4.774 0 40 HJAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 8071378 RROILWGVVMZVGR-ICSRJNTNSA-N 422.550 4.874 0 40 HJAB O=C(c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1)N1CCCCCC1 8471542 HHKJKDDEJTYQRS-UHFFFAOYSA-N 417.292 4.810 0 40 HJAB O=C(Nc1ccc(SC(F)F)cc1)c1cc(-c2ccc3c(c2)OCCO3)on1 8586506 GWBIKMHGVBCDPJ-UHFFFAOYSA-N 404.394 4.680 0 40 HJAB COc1cccc(-c2noc(CSc3nnc(NC4CCCCC4)s3)n2)c1 8704691 CCHCORTZPJGJMA-UHFFFAOYSA-N 403.533 4.634 0 40 HJAB O=C(CSc1nnc(-c2cccnc2)o1)Nc1cc(C(F)(F)F)ccc1Cl 8871582 FNTTYIAEJHTZRT-UHFFFAOYSA-N 414.796 4.535 0 40 HJAB O=C(Cc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1)Nc1ccccc1 9165177 FYPQSTVGOSWWHZ-UHFFFAOYSA-N 422.297 4.670 0 40 HJAB CSc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 9540094 SHCUGMWRUPNGHV-QGZVFWFLSA-N 421.444 4.694 0 40 HJAB CCN1C(=O)CCc2cc(NC(=O)c3c(-c4ccccc4Cl)noc3C)ccc21 9827696 QMIXKLFVRILDQM-UHFFFAOYSA-N 409.873 4.855 0 40 HJAB Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc(F)cc4)c(=O)c23)cc1 11595057 GCJDTIVMJNTOFV-UHFFFAOYSA-N 407.470 4.601 0 40 HJAB O=C(CCc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 12420856 SUTWSXFJOUEEGM-VWLOTQADSA-N 406.489 4.940 0 40 HJAB O=C(NCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccccc1 12539181 UYFSFHNPEBTWRZ-UHFFFAOYSA-N 407.876 4.850 0 40 HJAB Cc1ccc(C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)cc1 12583960 WKJPUDIPEQIMHO-UHFFFAOYSA-N 424.547 5.000 0 40 HJAB CC(=O)c1ccccc1OCCSc1nnc2c(Cl)cc(C(F)(F)F)cn12 12592522 XJJLVESSTXOCKD-UHFFFAOYSA-N 415.824 4.775 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C(=O)O)cc1Br 13316480 MTFSLIXEXHOQEO-JTQLQIEISA-N 412.667 4.515 0 40 HJAB CCOc1ccc2nc3sc(C(=O)Nc4ccc(OC)c(OC)c4)c(N)c3cc2c1 13503447 ZIPJBMWBLLQTHX-UHFFFAOYSA-N 423.494 4.700 0 40 HJAB CC(C)c1cc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccc(O)cc32)cc(C(C)C)c1O 15414527 TXQSZBSNCHVKCA-NHCUHLMSSA-N 408.498 4.514 0 40 HJAB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)N1CCCC1 16438020 PNJYOUUERNEGEM-LDADJPATSA-N 411.299 4.557 0 40 HJAB Cc1ccccc1CC(=O)N1CCC[C@H](c2nnc(-c3nccc4ccccc34)o2)C1 19237054 XWRFSNRSGMGURY-FQEVSTJZSA-N 412.493 4.542 0 40 HJAB Cc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc2c(c1)NC(=O)[C@H](C)O2 19796607 IHDNEPUZZZCXMM-JTQLQIEISA-N 413.886 4.744 0 40 HJAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)c(Cl)c1 20049424 IRZWDCFKRUIZMK-UHFFFAOYSA-N 416.886 4.756 0 40 HJAB C[C@@H](C1CC1)N(C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 25047055 AHRDPABQLIJWJE-AWEZNQCLSA-N 419.447 4.627 0 40 HJAB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)c1 26771776 ROXJCVJZPAJKGV-HFLLPRHDSA-N 421.537 4.612 0 40 HJAB biogenic O=C(Nc1cccc(NC(=O)c2cc(Cl)ccc2F)c1)c1ccc2c(c1)OCO2 27596570 DACZHRDEEUNUOS-UHFFFAOYSA-N 412.804 4.712 0 40 HJAB Cc1nn(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)c(C)c1Br 27924857 PWKLODYNBRBQQO-UHFFFAOYSA-N 406.230 4.782 0 40 HJAB CCCCN(CC)C(=O)CSCc1nc2scc(-c3cccs3)c2c(=O)[nH]1 29896809 MDLUJHUEKMYNDS-UHFFFAOYSA-N 421.613 4.595 0 40 HJAB CC(=O)c1cccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 32578549 YTARGINRXGDFPP-UHFFFAOYSA-N 413.433 4.624 0 40 HJAB O=C(CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1)Nc1cccc2ncccc12 32932781 CQYFUWAAMINMPW-UHFFFAOYSA-N 400.457 4.583 0 40 HJAB CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1ccc(F)cc1 40142996 DRZLLRUYPNWSGR-UHFFFAOYSA-N 417.234 4.710 0 40 HJAB O=C(Oc1ccccc1)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 48287585 ADCQSLCPNPLVHW-UHFFFAOYSA-N 416.506 4.679 0 40 HJAB C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 57405934 ACBAQSNJBWUMHR-HUUCEWRRSA-N 422.356 4.508 0 40 HJAB CC(C)CCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2ccsc2c1=O 57426023 JREZZLGELUITMP-UHFFFAOYSA-N 423.510 4.513 0 40 HJAB Brc1ccc2c(c1)CN(c1ccc(I)cc1)C2 59503629 OIYRWZRYBNUKII-UHFFFAOYSA-N 400.057 4.574 0 40 HJAB COc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc(N(C)C)cc2)c1 67259063 BMLXCPVVZRBQRE-UHFFFAOYSA-N 417.534 4.753 0 40 HJAB Cc1ccc(Nc2nccc([C@@H]3CCCN(C(=O)CCCc4ccccc4)C3)n2)nc1 72378089 HDUQHKQBBFBKLH-OAQYLSRUSA-N 415.541 4.653 0 40 HJAB CCOCc1ccc(C(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2)cc1 72390670 ZWZFKEOLMVNPDF-QHCPKHFHSA-N 416.525 4.751 0 40 HJAB O=C(Nc1cccc(Br)c1)c1cccc(OC(=S)N2CCCCC2)c1 85430822 LAVONRWTEZTSHE-UHFFFAOYSA-N 419.344 4.851 0 40 HJAB O[C@H](CNCCc1c[nH]c2ccccc12)COc1ccc(Oc2ccccc2)cc1 89845828 PMHWDTKTQOBDRO-HXUWFJFHSA-N 402.494 4.532 0 40 HJAB COc1ccc(Cn2c(N)c(C(=O)NCc3ccccc3Cl)sc2=S)cc1 94992822 VRNXPVQDASYUGB-UHFFFAOYSA-N 419.959 4.502 0 40 HJAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2)C12CCCC2 96344415 JBSAHLLBOITWJW-QHCPKHFHSA-N 404.554 4.554 0 40 HJAB Cc1ccc(NC(=O)/C=C\c2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1 98007632 TXYBEPMYUGXWBF-UVTDQMKNSA-N 410.470 4.587 0 40 HJAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1)NC12CC3CC(CC(C3)C1)C2 100419916 GABXTSZTXMEAEK-BOSZTNLGSA-N 413.631 4.902 0 40 HJAB CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1OC 106781249 MTSIERQUHHJOKX-ZHZULCJRSA-N 413.495 4.518 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@H]2C[C@H](C)CC[C@H]2C1=O 136693801 LRNDWIYNZVSONC-UNEWFSDZSA-N 410.901 4.826 0 40 HJAB Cc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3ccccc23)cc1 169817123 KOCVJJOWFAULNF-UHFFFAOYSA-N 400.597 4.526 0 40 HJAB COC(=O)c1cccc(NC(=O)COc2ccc(C(C)C)cc2Br)c1C 218871922 SCOXPQLKIBARKQ-UHFFFAOYSA-N 420.303 4.685 0 40 HJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)cn3)N21 222710363 CPDXFKXKNFYYKO-RYGJVYDSSA-N 409.946 4.900 0 40 HJAB Cc1cc(C)n(Cc2ccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2)n1 223660433 SXQHJCOWAGNOOX-UHFFFAOYSA-N 405.542 4.655 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 224094954 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COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(O)ccc5ccccc45)OCC[C@@]31C2 257338603 YYDWDQSJDBTBIZ-LJVAGBETSA-N 423.553 4.581 0 40 HJAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 408661257 FJOKTPAVEGFJOJ-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB Cc1ccc(OCc2nn(CC(=O)Nc3cccc(Cl)c3C)c(=S)o2)cc1 409156922 HIWGDTFSVVVJSS-UHFFFAOYSA-N 403.891 4.694 0 40 HJAB Cc1cc(C)n([C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2ccco2)n1 575614581 XOJCMFDTMQLBQG-HXUWFJFHSA-N 411.933 4.964 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2cccc(C)c2C)sc2c1CC[C@H](C)C2 1939965 YQOGLYUKEXAYKC-ZDUSSCGKSA-N 401.528 4.684 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(Cc2cccs2)n1CC 2232232 AQURFAXALTUIQX-UHFFFAOYSA-N 400.573 4.552 0 40 HJAB CCOc1ccccc1-n1c(N)c(C(=O)OCCC(C)C)c2nc3ccccc3nc21 2257179 RIDFDMKLRQNTQJ-UHFFFAOYSA-N 418.497 4.758 0 40 HJAB CCOC(=O)c1c(NC(=O)CCC(=O)O)sc(C)c1-c1ccc(CC(C)C)cc1 3864298 YCVIMOYJRGZZTK-UHFFFAOYSA-N 417.527 4.902 0 40 HJAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 4178456 KBPIQNKOSBCBTJ-UHFFFAOYSA-N 401.462 4.524 0 40 HJAB Nc1c(C(=O)Nc2cccc(Cl)c2Cl)sc2nc3c(cc12)C(=O)CCC3 4775498 UNNJYEOXRMZAJU-UHFFFAOYSA-N 406.294 4.957 0 40 HJAB CCSc1nnc([C@@H]2CCCN(C(=O)c3ccccc3-c3ccccc3)C2)n1C 5001509 SSZLQSZSRVGRGS-GOSISDBHSA-N 406.555 4.614 0 40 HJAB CCN(CC)CCN(C(=O)/C=C/c1cccs1)c1nc2ccc(F)cc2s1 5121866 CSGBGVKPJBWDKE-CSKARUKUSA-N 403.548 4.885 0 40 HJAB CCCCCOc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCC)cc1 5253918 JFMYOZXGRGXUMJ-QHCPKHFHSA-N 422.525 4.641 0 40 HJAB COc1ccc(-c2nonc2NC(=O)C(c2ccccc2)c2ccccc2)cc1OC 5354858 MBIFJHRRUKWGRL-UHFFFAOYSA-N 415.449 4.524 0 40 HJAB CN(C)C(=O)[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1ccccc1 6847065 YRPJPEGKYNHICK-IBGZPJMESA-N 408.571 4.701 0 40 HJAB CCCOc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 6880915 HHHJXULWJSHDNL-UHFFFAOYSA-N 400.434 4.528 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccccc2OC)sc2c1CCCC2 8050519 LGNGHVXWMXIATG-OAHLLOKOSA-N 417.527 4.608 0 40 HJAB COc1ccc(NC(=O)N(Cc2ccc(C)cc2)c2nnc3n2CCCCC3)cc1 8550067 UXXNLKRRNZDFCF-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1S(=O)(=O)N1CCCCCC1 8727886 VEAQXYUEUBHVEW-UHFFFAOYSA-N 424.925 4.605 0 40 HJAB O=C(Cc1csc(SCc2ccc(Br)cc2)n1)NCc1ccco1 8854557 JIDFGAKJNTYULU-UHFFFAOYSA-N 423.357 4.650 0 40 HJAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)c1 8959992 IVSPFBVMQDZRSI-UHFFFAOYSA-N 424.541 4.810 0 40 HJAB COc1cc(Br)cc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1cccc(Cl)c1 9559342 VKZIBRXYRIIWJC-RDTXWAMCSA-N 423.694 4.881 0 40 HJAB Cc1ccc(NC(=O)Cc2nc(CN(Cc3ccc(F)cc3)C3CC3)cs2)cc1 9908862 LCVXDSFLWAKWIN-UHFFFAOYSA-N 409.530 4.936 0 40 HJAB COc1ccc(SCC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 10219179 DWAOMSXEWGIGES-UHFFFAOYSA-N 416.524 4.567 0 40 HJAB CC(C)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)n2nnnc2N3)cc1 10337016 POKUNDDUCOLHGT-ZEQRLZLVSA-N 422.492 4.751 0 40 HJAB CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(OC)cc1OC)CC3=O 12296401 OZMCKIQIRHEUTO-LJQANCHMSA-N 408.450 4.778 0 40 HJAB biogenic COc1ccc(Cn2nccc2NC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 12763690 SAIUOPVNFIULMR-UHFFFAOYSA-N 406.269 4.508 0 40 HJAB O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1csc(-c2ccco2)n1 12823530 KJFNXOLBRURQHW-UHFFFAOYSA-N 403.435 4.981 0 40 HJAB Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4ccccc4Cl)cc3)nn2)n1 13009653 ZTORFUVNGNEXIV-UHFFFAOYSA-N 404.861 4.620 0 40 HJAB COCc1nn2c3c(nnc2c1-c1ccc(Cl)cc1)C(=O)C[C@H](c1cccs1)C3 13639385 YQNZQQSPCIDKML-CYBMUJFWSA-N 424.913 4.565 0 40 HJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cn1ncn(C2CC2)c1=S 14231941 JZTMDWKINJRVNC-UHFFFAOYSA-N 416.554 4.691 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 15542473 YZSRZTDGJPNADE-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccccc2I)cc1 17092096 QYDHVHBSEHIZJJ-CQSZACIVSA-N 420.294 4.922 0 40 HJAB O=C(Cc1ccccc1)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(F)cc2)CC1 19370411 YGSPJKBUGCSNDZ-AREMUKBSSA-N 417.528 4.533 0 40 HJAB Cn1cc(CN2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 19690309 ZTJMPQXKZLCCCE-FQEVSTJZSA-N 414.475 4.804 0 40 HJAB O[C@@](CN1CCN(c2cccc(Cl)c2)CC1)(c1ccccc1)c1ccc(F)cc1 20366000 QLXVNUMUFFAXIR-DEOSSOPVSA-N 410.920 4.537 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1OCC 20456328 ZVPQSGJNTGLHDX-HOTGVXAUSA-N 403.544 4.851 0 40 HJAB COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1OC 20610498 CPMVVGIPQBZCNT-UHFFFAOYSA-N 416.481 4.813 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C(=O)N1CCCCCC1 26119586 FKCHLKQVXIJDMS-UHFFFAOYSA-N 418.584 4.534 0 40 HJAB Cc1nn(Cc2cccc(C(=O)Nc3cc(F)ccc3F)c2)c(C)c1Br 27970662 XRQCYAULTVESKM-UHFFFAOYSA-N 420.257 4.841 0 40 HJAB Cc1cc(OCC(=O)NC[C@H](c2cccs2)N2CCCCC2)cc(C)c1Cl 28288154 ABRXKNWNHPQXEQ-GOSISDBHSA-N 406.979 4.741 0 40 HJAB O=C(Nc1ccc(Br)cc1)c1csc(COc2ccc(F)cc2)n1 29459995 BDZWWMACSACXRN-UHFFFAOYSA-N 407.264 4.876 0 40 HJAB CCCc1noc(CSc2nc3ccccc3c(=O)n2-c2ccccc2Cl)n1 32905502 YJGAESIUJMZLBC-UHFFFAOYSA-N 412.902 4.667 0 40 HJAB CN1CCN(c2ccc(NC(=O)c3ccc(CSc4ccccc4)cc3)cc2)CC1 33585233 BOHOTTLEAXYUDQ-UHFFFAOYSA-N 417.578 4.983 0 40 HJAB COc1ccc(C)cc1NC(=O)c1cc(C)nc2c1c(C)nn2Cc1ccccc1 36616996 NBGPSPSDSASTDF-UHFFFAOYSA-N 400.482 4.666 0 40 HJAB Cc1ccc(Oc2ccccc2NS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1 36772568 XUUWZNUUYBBNKU-UHFFFAOYSA-N 411.479 4.605 0 40 HJAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2ccccc2O)c1 37127963 UKPCAKANPBSDQG-UHFFFAOYSA-N 403.413 4.645 0 40 HJAB COc1ccc(CN(C(=O)c2cccc(OCc3csc(C)n3)c2)C2CC2)cc1 40012215 JTWFKMBXQYVTNB-UHFFFAOYSA-N 408.523 4.844 0 40 HJAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccccc1N(C)c1ccccc1 40119830 LZZKRCPAYGSEQS-UHFFFAOYSA-N 413.521 4.619 0 40 HJAB Cc1csc(Nc2cccc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)c2)n1 57992603 MUQPRAOFHYCGAK-UHFFFAOYSA-N 415.540 4.630 0 40 HJAB C[C@@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(F)cc1F 58175428 HXZMDUBNCIFUPB-CQSZACIVSA-N 402.441 4.686 0 40 HJAB CC(C)Cc1nnc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)s1 61719198 YJPJVFCJKQOISE-UHFFFAOYSA-N 409.540 4.903 0 40 HJAB CCOc1cc(/C=C/C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC 62715259 FZMBBLIUCCBTLN-BJMVGYQFSA-N 406.276 4.604 0 40 HJAB Cc1cccc(N2CCN(c3nc4c(-c5ccccc5)csc4c(=O)[nH]3)C[C@H]2C)c1 64392423 OCPSQZDYNHXNCQ-QGZVFWFLSA-N 416.550 4.675 0 40 HJAB CCOc1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(OC)cc3)n2)cc1 67257497 IDTMXUKIZFWHSV-UHFFFAOYSA-N 409.511 4.590 0 40 HJAB CCCCn1c(SCc2ccc(N3CCCC3=O)cc2)nc2ccccc2c1=O 67259699 SIPOGJNBLZSNBM-UHFFFAOYSA-N 407.539 4.616 0 40 HJAB Cc1ccc2[nH]c3c(SCC(=O)NCCc4ccc(Cl)cc4)ncnc3c2c1 72331968 ADAAYMNCEKYODE-UHFFFAOYSA-N 410.930 4.524 0 40 HJAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3nc(-c4cccnc4)cs3)o2)n1 79495331 AFTKXEGLCDUGJV-UHFFFAOYSA-N 423.523 4.750 0 40 HJAB COc1cccc([C@@H]2SC(C)=Nc3c2c(O)nn3[C@H]2CCOC(C)(C)C2)c1OC 95480670 OOYQKAXJFIUUGH-UGSOOPFHSA-N 417.531 4.622 0 40 HJAB CC(C)[C@H](NC(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1nc2ccccc2[nH]1 96224218 KKBHLTLPGRRCIA-INIZCTEOSA-N 401.392 4.585 0 40 HJAB COc1ccc(-c2c(NC(=O)c3ccco3)oc3c(C)cccc3c2=O)cc1OC 101192240 LHLNWSZPIRZNGP-UHFFFAOYSA-N 405.406 4.631 0 40 HJAB CCCCc1ccc(-c2nc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)sc2C)cc1 102403910 VEUVAJJBHUDSHS-OKYOBFRVSA-N 410.539 4.923 0 40 HJAB O=C(NC1CCCCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 216253043 IAALBGOIPNFNKL-UHFFFAOYSA-N 420.962 4.984 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219324834 QOCZMFBEICVLEC-RBUKOAKNSA-N 403.906 4.925 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 222535587 SITLPIMXHPESMH-HXUWFJFHSA-N 421.368 4.868 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 224626444 LISDETJAOOQPFT-RUZDIDTESA-N 420.597 4.836 0 40 HJAB O=C(O)c1cc(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)ccc1Cl 226856297 RLTRMZVYRJDHQV-UHFFFAOYSA-N 402.811 4.705 0 40 HJAB FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CCCN3C[C@H]3CCOC3)nn12 247663417 UQQTWWUFYFFZMD-CZUORRHYSA-N 422.476 4.650 0 40 HJAB Fc1ccc(Cc2cccc([C@H]3CN(Cc4ccc5ncccc5c4)CCO3)n2)cc1 257288219 PTJYIXIQWLBJSR-AREMUKBSSA-N 413.496 4.933 0 40 HJAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)c(C)c1 409374617 VBYNFYZBCVLQJY-JAXWBCMNSA-N 406.507 4.843 0 40 HJAB COc1cc2c(cc1OC)CCN(C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1)CC2 582333850 KEUKZQVKHRWWEQ-AWEZNQCLSA-N 422.447 4.594 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 673748 MHDAIMQFFDOHEB-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl 682513 GCOZIEGUVVCMCH-SECBINFHSA-N 402.661 4.839 0 40 HJAB O=C(Nc1ccc(I)cc1)Nc1cc(F)c(F)cc1Cl 827389 UAAWSHMJODPAGE-UHFFFAOYSA-N 408.573 4.867 0 40 HJAB CCOC(=O)c1c(NC(=O)CC)sc2c1CC[C@H](Sc1ccccc1)C2=O 846744 MYJPLTUPQWUJOI-AWEZNQCLSA-N 403.525 4.563 0 40 HJAB COc1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c(C)c1 918229 UEUGPEOGWZIJEI-UHFFFAOYSA-N 416.359 4.577 0 40 HJAB COc1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccccc4OC)coc3c2)cc1 1322106 BTUKOJMZDMMGJL-UHFFFAOYSA-N 402.402 4.696 0 40 HJAB biogenic Cc1ccc(S(=O)(=O)N(CCCc2c(C)ncnc2Cl)c2ccccc2)cc1 1674536 HWLBHDYWSJLNDE-UHFFFAOYSA-N 415.946 4.575 0 40 HJAB O=C(Nc1ncccc1Cl)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 2750844 OGGLYWNAQRPWKK-UHFFFAOYSA-N 403.825 4.931 0 40 HJAB COCCn1c(C)cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)c3ccccc32)c1C 3352178 YWIUMNFBLXYPQW-JLPGSUDCSA-N 414.505 4.787 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@]32CCOC(C)(C)C2)cc1 4038644 JMYJAWUSQAQZRN-GBXCKJPGSA-N 408.498 4.533 0 40 HJAB biogenic O=C(O)CCC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 4141007 UIZUUVXQIBFHTF-WYZZFHORSA-N 424.447 4.953 0 40 HJAB CCOc1ccc(-c2nc(-c3ccc(-c4ccc(OC)cc4)nc3OC)no2)cc1 5156442 XTAQTMRRHXQKEP-UHFFFAOYSA-N 403.438 4.882 0 40 HJAB COc1ccc(-c2nnc(SCCCC(=O)c3ccc(F)cc3)o2)c(OC)c1 5170768 FCMWNLRBPZFLBG-UHFFFAOYSA-N 402.447 4.648 0 40 HJAB Cc1ccc(-c2csc(N3N=C4c5ccccc5C[C@@H]4[C@@]3(O)C(F)(F)F)n2)cc1 5275029 XVRQJTVUQZTZMR-OXJNMPFZSA-N 415.440 4.766 0 40 HJAB CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2Cc3occc3[C@H](C)[C@@H]12 5368610 ZRIFHZYKUAYXCS-TYELSBDQSA-N 402.531 4.881 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1C 6478238 DTQNWEXZYQCWEN-UHFFFAOYSA-N 412.902 4.921 0 40 HJAB COCc1c(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)oc2ccccc12 6509941 NCAAALZTYQFZBC-UHFFFAOYSA-N 416.481 4.816 0 40 HJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N[C@@H]3CCOc4ccccc43)c2n1 6980076 UZVANJQLOCCHRD-QGZVFWFLSA-N 417.292 4.869 0 40 HJAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7928400 RMGKGRJPGZJLTN-JTQLQIEISA-N 413.688 4.647 0 40 HJAB CCCOC(=O)c1ccc(NC(=O)CSc2cc(-c3ccccc3)nc(C)n2)cc1 7996554 ZYOQXAJSJXIFJO-UHFFFAOYSA-N 421.522 4.750 0 40 HJAB COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 8471375 FQDWBDOPQQSBNK-UHFFFAOYSA-N 408.841 4.631 0 40 HJAB O=C(N[C@@H](CC(=O)N1CCc2ccccc2C1)c1ccccc1)c1ccccc1Cl 8518697 PZWQRXXJNSKGNX-QHCPKHFHSA-N 418.924 4.786 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1cnn2Cc1ccccc1 9478452 LUMHWXFDYHDKMN-UHFFFAOYSA-N 423.929 4.567 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-n2cccc2)cc1 9707881 LEHCHVFIUXPOQE-UHFFFAOYSA-N 423.929 4.751 0 40 HJAB CCOc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCCCC2)cc1 11905387 UNOJTKNOPMBUBF-QHCPKHFHSA-N 419.525 4.697 0 40 HJAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(Br)cc1 12062888 TUBBCUGKRLMKFI-GOSISDBHSA-N 412.283 4.819 0 40 HJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)C4CCCC4)CC3)cc2N1 12182588 QGRNDVSVSMUFPE-FUHWJXTLSA-N 412.500 4.723 0 40 HJAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)c2c(-c3cccnc3)noc2C)sc1C 12228165 SLPSOPVFVDEXKB-QGZVFWFLSA-N 424.551 4.894 0 40 HJAB O=C(NCCc1cccc(Cl)c1)c1cn(-c2ccccc2)nc1-c1cccnc1 12593284 BKOVGRSCQUQERW-UHFFFAOYSA-N 402.885 4.560 0 40 HJAB Cc1ccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c(Br)c1 12881594 UQVXXTPPTORLGG-UHFFFAOYSA-N 407.695 4.790 0 40 HJAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)/C=C/c1ccc(Cl)cc1 13042032 MQIJCEUXBHGVTK-BJMVGYQFSA-N 416.308 4.682 0 40 HJAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc(=O)[nH]c2ccccc12 13513926 MMOSPRZIQMTBGN-HSZRJFAPSA-N 417.848 4.963 0 40 HJAB O=C(Cc1cccs1)Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 13569957 FGOIBIJTOZPBDC-UHFFFAOYSA-N 415.521 4.960 0 40 HJAB O=C(CCc1ccccc1)Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 13631060 KZWUMLXJVNRGGD-UHFFFAOYSA-N 408.885 4.929 0 40 HJAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1 16001016 YLGJXMOBLCCNBQ-CQSZACIVSA-N 413.540 4.820 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1ccc(Cl)cc1 16262930 BOMMRCYHJPLJRK-SFHVURJKSA-N 400.265 4.993 0 40 HJAB O=C(Cc1cccs1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 17089186 LQWUNLSYSFINRF-UHFFFAOYSA-N 412.505 4.503 0 40 HJAB O=C(Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1)c1ccc(Cn2ccnc2)o1 19293114 QHUHADLWBMLJGK-UHFFFAOYSA-N 418.419 4.786 0 40 HJAB COc1ccc(CC(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)cc1OC 22680373 VDODSNJEKXFRSV-UHFFFAOYSA-N 401.466 4.532 0 40 HJAB O=C(CNc1ccccc1Oc1ccccc1Cl)Nc1ccc2c(c1)OCCO2 28662107 AWEDVERVIGXWEF-UHFFFAOYSA-N 410.857 4.954 0 40 HJAB C[C@@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1 28804078 RWNRNLXYPZDQPD-NLFFAJNJSA-N 423.560 4.863 0 40 HJAB C[C@H](NC(=O)[C@@H](C)Nc1nc2ccccc2s1)c1nc2ccccc2n1C(F)F 32902865 ZAYRSSAPHJIBIO-NWDGAFQWSA-N 415.469 4.719 0 40 HJAB O=C(CCc1nnc(-c2ccccc2)o1)NCc1nc(-c2ccc(Cl)cc2)cs1 32936101 RHRDMLFFRPITRF-UHFFFAOYSA-N 424.913 4.763 0 40 HJAB CC(C)c1ccc2nc3sc(C(=O)N4CC(=O)Nc5ccccc54)c(N)c3cc2c1 35289743 HWWIVRKFADADKV-UHFFFAOYSA-N 416.506 4.754 0 40 HJAB O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccc(-n2cccc2)cc1 38486321 GLTPIRMVKRLVFN-UHFFFAOYSA-N 409.493 4.787 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2ccc(Cl)s2)cc1 40087356 GARJTIDQBNYGJS-GFCCVEGCSA-N 406.964 4.899 0 40 HJAB CC1(C)C[C@@H](NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc2O1 44918122 DVBXOJVCDQKCPK-GHTZIAJQSA-N 412.961 4.971 0 40 HJAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)N(C)Cc3ccccc3)n2)cc1 46012174 VEUIGIDLOJRMIW-UHFFFAOYSA-N 413.477 4.749 0 40 HJAB O=C(NCc1cccs1)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 47914415 MCAWLCSCLUOACX-UHFFFAOYSA-N 409.389 4.934 0 40 HJAB O=C(/C=C/c1ccccc1Cl)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 70635528 LDCGTUSKLLYJDD-JXMROGBWSA-N 411.864 4.949 0 40 HJAB O=C(C[C@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21)NC1CCC1 96053378 YEEIVZRHFZXWKY-SFHVURJKSA-N 410.583 4.708 0 40 HJAB Cc1nc(-c2nc(C(=O)N(C)c3ccccc3)c3ccccn23)cn1Cc1ccccc1 96155180 GDEWWMSBDJEOFQ-UHFFFAOYSA-N 421.504 4.831 0 40 HJAB COc1cccc2c1NC(=O)O[C@@H]2c1cccc(OC)c1NC(=O)OC(C)(C)C 98174917 WNDJYXHKOYAYHS-SFHVURJKSA-N 400.431 4.702 0 40 HJAB CCOc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 205617804 ZTZXSVYGOWELLM-QNGOZBTKSA-N 406.507 4.865 0 40 HJAB O=C(CCc1ccc(Cl)c(Cl)c1)NC[C@H]1CCCN1c1nc2ccccc2o1 206772672 NMIHXPSAJAPSFZ-OAHLLOKOSA-N 418.324 4.852 0 40 HJAB Cc1cc(O[C@@H]2CCN(C(=O)c3ccc(-c4cccc(Cl)c4)cc3)C2)cc(=O)o1 206964521 DPNQFJGTONTSJH-HXUWFJFHSA-N 409.869 4.562 0 40 HJAB Cc1ccc(N2CCC(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)CC2)cc1 219854910 DWSAWOFUWQGHOY-UHFFFAOYSA-N 419.569 4.913 0 40 HJAB CCc1ccc([C@@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 223336464 LYDNWLGAYXNXOL-GOSISDBHSA-N 422.550 4.565 0 40 HJAB CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223471359 VNTUXYXFUFJSJQ-DEOSSOPVSA-N 408.517 4.922 0 40 HJAB CCc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224028324 VIQREGQPYXNZIY-UHFFFAOYSA-N 414.914 4.956 0 40 HJAB CC(C)(C)c1ccc(OCCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 224551852 IMHSNSARJIDWEW-UHFFFAOYSA-N 412.549 4.530 0 40 HJAB COc1cc2c(cc1S(=O)(=O)N[C@H](C)CC(C)(C)c1ccccc1)CCCC2 224554249 AVFJLQXZKCKQDU-QGZVFWFLSA-N 401.572 4.609 0 40 HJAB CC(C)(C)c1ccc(O[C@H](Cc2ccc(I)cc2)C(=O)O)cc1 225068100 XFJHNQDVXRZPBQ-QGZVFWFLSA-N 424.278 4.663 0 40 HJAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC(C)C)cc1 225357572 OJFMIHYSLGOKLK-YADHBBJMSA-N 406.555 4.867 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@@]2(O)[C@@H](C)OC(C)=O)C1 253500948 COXXOOWTEWCQRW-VFAVBPHMSA-N 420.590 4.644 0 40 HJAB O=C(c1ccccc1CN1CCCCC1)N1CC[C@@H](Cc2cccc3cccnc23)C1 257211549 BZHZTTFQVOGPIH-NRFANRHFSA-N 413.565 4.926 0 40 HJAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1ccc2noc(-c3ccccc3)c2c1 390829498 ZKHWEUZOJFCCEZ-IBGZPJMESA-N 402.454 4.513 0 40 HJAB CSc1nc(N2CCCC2)c2cc(C(=O)NCCC3=CCCCC3)sc2n1 408622491 QRQSOPZDDVOZND-UHFFFAOYSA-N 402.589 4.634 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 408642705 POAQIEZWGXKYKQ-MRXNPFEDSA-N 415.331 4.620 0 40 HJAB O=C(Nc1cccnc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704144 KDDUMKNKRMJJEI-JOCHJYFZSA-N 423.925 4.762 0 40 HJAB CC1=C(c2ccccc2)N[C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)S1 408910720 JALVIZBPWBWQAY-JEOXALJRSA-N 409.338 4.886 0 40 HJAB COc1ccc(NC(=O)c2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 408980046 TZTLQIXIQNKENP-UHFFFAOYSA-N 409.449 4.881 0 40 HJAB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2ccc(C)cc2C)c2ccccc2)cc1 408981957 WSWUUIBPTDWNJP-HSZRJFAPSA-N 422.550 4.660 0 40 HJAB Cc1cccc(C)c1NC(=O)Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S 409155073 LKXNZXQGHDQWKK-UHFFFAOYSA-N 423.538 4.919 0 40 HJAB CN(c1ccc(Oc2ncncc2-c2ccccc2)cc1)S(=O)(=O)c1cccs1 537047032 CLYXUBQRLOHWPF-UHFFFAOYSA-N 423.519 4.823 0 40 HJAB CC[C@H](C)[C@@H](C(=O)N[C@H]1CCCc2c1[nH]c1ccccc21)N1Cc2ccccc2C1=O 575443998 LZINVGUQEGXLQY-DQLWACAZSA-N 415.537 4.732 0 40 HJAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242524 GUKSQQKGMKTGRB-QRICJDHISA-N 411.546 4.923 0 40 HJAB CCOC(=O)c1oc2cc(OCC)ccc2c(=O)c1-c1ccc(Br)cc1 728039 FWFNBJNXIFOLOX-UHFFFAOYSA-N 417.255 4.798 0 40 HJAB COc1ccc(Oc2coc3cc(OCC(=O)Nc4ccccc4)ccc3c2=O)cc1 790779 QKIAYDQJQGIUHT-UHFFFAOYSA-N 417.417 4.611 0 40 HJAB COc1ccc(C)cc1NC(=O)CSc1nnc2c(C)cc3c(C)cc(C)cc3n12 877209 PWNLXYZKHXVUER-UHFFFAOYSA-N 420.538 4.856 0 40 HJAB COc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)O2)cc1 3222765 LIVKEEYPHRBNPL-HYARGMPZSA-N 403.409 4.758 0 40 HJAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccccc1OCc1ccc(F)cc1 3303564 UYVOGFNVQUNPMT-UHFFFAOYSA-N 403.409 4.926 0 40 HJAB O=C1CCCC[C@H]1Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 3308039 AYRRPVJPVUJPJF-LJQANCHMSA-N 424.591 4.989 0 40 HJAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc2c(Cl)cc(Cl)cn12 3360417 CFFZTZMBAUPTTD-UHFFFAOYSA-N 423.369 4.956 0 40 HJAB CCc1nc2ccccc2c(C(=O)OCC(=O)c2cc(C)n([C@@H](C)COC)c2C)c1C 3373671 FVZUDZZCYWHSSM-INIZCTEOSA-N 422.525 4.771 0 40 HJAB Clc1ccc(-n2nnnc2SCc2c(-c3ccccc3)nc3sccn23)cc1 3412639 PPAKJFFVFDRMHQ-UHFFFAOYSA-N 424.942 4.984 0 40 HJAB aggregator O=C1Nc2ccccc2[C@@]12Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 4112586 QBOVYOUGOKOQIY-NFBKMPQASA-N 401.853 4.689 0 40 HJAB Cc1cccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@@H]2CCCO2)c1 4128364 KXISCPSPTJMIEM-NRFANRHFSA-N 421.566 4.523 0 40 HJAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccccc2)cc1OC 4872089 NJHVRHMSDDWBDE-CJFMBICVSA-N 416.477 4.955 0 40 HJAB COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC2 5429399 IHDHYXCRCHQEJB-GFCCVEGCSA-N 409.313 4.568 0 40 HJAB CCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 6241126 IPWSAOWOOSYBHV-UHFFFAOYSA-N 408.420 4.583 0 40 HJAB Cc1ccc(CSc2nnc([C@H](NC(=O)c3ccc(C)cc3)C(C)C)n2C)cc1 6300174 YVHOOLNDNKPKMI-HXUWFJFHSA-N 408.571 4.851 0 40 HJAB COc1ccc(CNC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)cc1OC 6790158 BKTGPOXTEVYYQA-UHFFFAOYSA-N 410.539 4.586 0 40 HJAB O=C(CN1CCCSc2ccccc21)Nc1ccccc1C(=O)Nc1ccccc1 7273998 VNDDKMKZYOZEOX-UHFFFAOYSA-N 417.534 4.880 0 40 HJAB CCc1ccccc1N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O 7881954 LRGNRNZPBMLORB-ZDUSSCGKSA-N 410.823 4.913 0 40 HJAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O 7882130 CLYDDFTXIJRRON-OCCSQVGLSA-N 410.823 4.907 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc([C@H](C)Oc2ccccc2)n1CC 8088432 IMRURZFDNCNFDA-INIZCTEOSA-N 410.543 4.731 0 40 HJAB C[C@@H](C(=O)Nc1cccnc1Cl)N1CCC(c2nc3ccccc3s2)CC1 8533015 MTFYEZFNNIKGAW-ZDUSSCGKSA-N 400.935 4.551 0 40 HJAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O 8625805 BVGVUOYMFVICDX-SFHVURJKSA-N 415.468 4.753 0 40 HJAB COc1ccc(CNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1 8746538 WIMZSUWPAJPYDI-UHFFFAOYSA-N 403.507 4.794 0 40 HJAB CCCn1c(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)nc2ccccc21 9219510 VJARMGSBYYKEOE-UHFFFAOYSA-N 418.497 4.811 0 40 HJAB CCCCCc1nnc(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)s1 9360828 NXDRPKIWYXGSIM-UHFFFAOYSA-N 407.536 4.719 0 40 HJAB CCOc1ccc(-c2ccc(SCC(=O)Nc3nc4ccccc4s3)nn2)cc1 12140470 PLZUPVQLJOORRB-UHFFFAOYSA-N 422.535 4.883 0 40 HJAB COc1cc(OC)c(NC(=O)Cc2cnc(-c3ccccc3F)s2)cc1Cl 12389823 VDIGGXZHNXMNLO-UHFFFAOYSA-N 406.866 4.801 0 40 HJAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1 12631087 URAJLMXKQAKYCG-FPXKJXHESA-N 424.522 4.847 0 40 HJAB O=C(Cn1c(SCc2ccccc2)nc2ccccc21)Nc1ccc2c(c1)OCO2 12640180 MAIDVWYVTPVDIN-UHFFFAOYSA-N 417.490 4.696 0 40 HJAB CN(C)[C@@H](CNC(=O)c1ccc(SCc2cscn2)cc1)c1cccs1 12807330 KBGIVUAYWVHJSO-KRWDZBQOSA-N 403.598 4.530 0 40 HJAB Cc1c(-c2ccccc2)sc2ncn(Cc3noc(-c4ccc(F)cc4)n3)c(=O)c12 12926019 BZSMDCPHMIRTGE-UHFFFAOYSA-N 418.453 4.671 0 40 HJAB CC(=O)c1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1 12927237 ZIKIPYHLOBSNCI-UHFFFAOYSA-N 400.887 4.759 0 40 HJAB Cc1cc(C)c(NC(=O)CNC(=O)c2cc(-c3ccco3)nc3ccccc23)c(C)c1 12993258 PLPSPHSWGLQVLJ-UHFFFAOYSA-N 413.477 4.789 0 40 HJAB Cc1ccc(N2C[C@@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)cc1F 13037050 KQKIVCPFBZSSCD-ZDUSSCGKSA-N 405.351 4.723 0 40 HJAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1nc(-c2cc(F)ccc2F)cs1 14899388 GFOQOWFAIRTZJL-CYBMUJFWSA-N 413.449 4.618 0 40 HJAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)cc4F)nccn3n2)cc1 17051618 ODYKUEMSDVAUFO-UHFFFAOYSA-N 410.449 4.714 0 40 HJAB O=C(c1cc([C@@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)no1)N1CCCC1 19292904 NHPOBINKBGFEDW-OAHLLOKOSA-N 408.329 4.597 0 40 HJAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3n[nH]c4c3CCCC4)c2)cc1 19690709 LFRGECNRUFRTJV-QHCPKHFHSA-N 416.525 4.645 0 40 HJAB COc1ccc(Nc2nn(-c3nc4ccccc4s3)c3c2C(=O)C[C@H](C)C3)cc1 19817251 KCWCGUVKCCNOFX-CYBMUJFWSA-N 404.495 4.999 0 40 HJAB Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)c3ccccc3Cl)c3ccccc32)c1 21343645 FIBVATDVHYXJJG-RUZDIDTESA-N 419.908 4.964 0 40 HJAB O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 23956297 GWVYRATWKUTHSP-UHFFFAOYSA-N 413.546 4.921 0 40 HJAB O=C(CCOc1ccccc1Cl)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 24934531 GBFMCYSCLXJGMA-HXUWFJFHSA-N 409.917 4.548 0 40 HJAB COc1ccc(-c2nc(-c3cccc(NC(=O)c4cc(C)oc4C)c3)no2)cc1OC 28304105 UUWWCDANXNEFGO-UHFFFAOYSA-N 419.437 4.883 0 40 HJAB COc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3F)n2)cc1 33325053 DIUWSSCOVPUUFR-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB CN(C)[C@H](CNC(=O)c1ccccc1SC[C@H]1CCCO1)c1ccccc1Cl 40047569 NWEFIXPIUWHVQA-OXQOHEQNSA-N 418.990 4.644 0 40 HJAB COc1cc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc23)cc(OC)c1 49005474 PUVQIKCJLSSRBP-UHFFFAOYSA-N 420.513 4.571 0 40 HJAB O=C(CCOc1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72359198 ISFBTBZXVWFYJC-LJQANCHMSA-N 421.928 4.972 0 40 HJAB COc1ccc(SCC2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 90608258 ATGHARGNYXBVOE-UHFFFAOYSA-N 405.947 4.758 0 40 HJAB CC(C)[C@H]1CCCN1c1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1F 95465073 BKYISPXYKYDQIE-QGZVFWFLSA-N 412.465 4.665 0 40 HJAB Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NCC2CC2)c2ccccc2O3)s1 96053097 SMWIRVZIZYJDQT-FQEVSTJZSA-N 424.610 4.874 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCC(C)CC4)cc3)n2)c1 219236342 HBJUJOICQZDZFL-UHFFFAOYSA-N 418.541 4.549 0 40 HJAB Cc1ccccc1CN(C(=O)COc1ccccc1C(C)C)[C@@H](C)C(=O)NC(C)(C)C 222709854 JDROSZUKYUCLJO-FQEVSTJZSA-N 424.585 4.829 0 40 HJAB CC(C)C[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccccc1 223148840 IEDGVKJMYFXKOP-CJSSZYOBSA-N 402.494 4.954 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(C)c1 224108314 DUOMIKKIYXSDHX-IBGZPJMESA-N 422.550 4.620 0 40 HJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)cc1 224198405 AVCFYKFTWMSDBA-PMOQBDJRSA-N 418.566 4.548 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 224939581 JLVSNHLIPVJULB-INIZCTEOSA-N 421.368 4.788 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 225153248 UTBQNJGZQZPMID-DEOSSOPVSA-N 424.585 4.796 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccccc1 225493605 GHUUXJFUNNVLJG-SIKLNZKXSA-N 412.599 4.809 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)C 225495863 KEFZZWZVBPMIPD-INIZCTEOSA-N 421.368 4.786 0 40 HJAB COc1ccc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)c(OC)c1OC 225527226 JKNSIOZMVAKGPR-UHFFFAOYSA-N 416.543 4.520 0 40 HJAB CCOC1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCCCCC1 225711242 GZEMBEOZYWRILJ-UHFFFAOYSA-N 402.579 4.865 0 40 HJAB Cc1cc(I)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 243728142 PRXKHFWRLCFDJY-LLVKDONJSA-N 415.658 4.659 0 40 HJAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc34)o2)CC1)c1ccccc1 257313248 URNXSRHRFCNCCW-IRJFHVNHSA-N 412.493 4.989 0 40 HJAB O=C(NCc1ccccc1F)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257317308 VJFALYXTFOGWQA-UHFFFAOYSA-N 404.485 4.543 0 40 HJAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1cc(OC)cc(OC)c1 408562141 NFLFMJNXFCNKRF-LNVKXUELSA-N 416.930 4.957 0 40 HJAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(Cl)c3C)C(=O)[C@H]2C1 408679124 GFCAXBPYUCERHJ-RDJZCZTQSA-N 408.885 4.746 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2CC)cc1 409345248 KKWBXJJSWXCXRN-UHFFFAOYSA-N 424.570 4.787 0 40 HJAB O=C(NCc1nccnc1-c1cccs1)c1cccc(OCc2ccccc2)c1 575619181 AHRKAMWCGBIESS-UHFFFAOYSA-N 401.491 4.714 0 40 HJAB Brc1cccc(N2CC[C@H](CN[C@H]3CCCNc4ccccc43)C2)c1 576622723 SFGATJSDQCHCSA-IERDGZPVSA-N 400.364 4.812 0 40 HJAB CCO[C@@H](CCNC(=O)NCCOc1ccc(Cl)c(Cl)c1)C1CCCC1 1632728142 QAVQPOKWRHLJLC-SFHVURJKSA-N 403.350 4.657 0 40 HJAB COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n1-c1ccccc1 717101 HRPAHCVMNPFTDF-UHFFFAOYSA-N 417.490 4.543 0 40 HJAB CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(OC)c(OC)c2)n1 812433 KENAQBPHRWJFLG-UHFFFAOYSA-N 403.438 4.882 0 40 HJAB CCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(Br)c2)CC1 819246 BEYWNBBJTQDRJU-UHFFFAOYSA-N 415.375 4.710 0 40 HJAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1 987034 RSCGOZOTVRXSKS-GOSISDBHSA-N 402.560 4.630 0 40 HJAB CCc1ccccc1NC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 1337193 DYSNZVPIIJRYOZ-UHFFFAOYSA-N 410.518 4.866 0 40 HJAB O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NC1CCCCC1 2628235 RUISXWVAXGRXFQ-UHFFFAOYSA-N 410.518 4.614 0 40 HJAB O=C(COC(=O)c1cc(Br)ccc1Cl)Nc1ccc(F)cc1Cl 3317217 LMKJBLHJZNLGEU-UHFFFAOYSA-N 421.049 4.691 0 40 HJAB COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@]32CCOC(C)(C)C2)c1 4029774 UFIMLKDNTIHZMN-GBXCKJPGSA-N 408.498 4.533 0 40 HJAB biogenic Cc1cccc(CN2C(=O)N(c3cccc(Cl)c3)S(=O)(=O)c3ccccc32)c1 4313544 YAZPMJIWYMQAHZ-UHFFFAOYSA-N 412.898 4.984 0 40 HJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Br)cc2C(=O)O)cc1 4600293 UWXQYAXWSNBOTL-LBPRGKRZSA-N 406.276 4.678 0 40 HJAB COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 4715800 SLFWKXJAVLHQBD-WMZHIEFXSA-N 418.449 4.626 0 40 HJAB CC(C)(C)c1ccc(Cn2c(CCNC(=O)c3ccco3)nc3ccccc32)cc1 5235803 CUYXGZFPGILYTC-UHFFFAOYSA-N 401.510 4.948 0 40 HJAB COc1ccc(OCCSc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1 6257006 HANZNIREZHPLPS-UHFFFAOYSA-N 418.522 4.817 0 40 HJAB Cc1nc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1I 6960191 VLEOBSHBBKMCGC-UHFFFAOYSA-N 407.038 4.554 0 40 HJAB Cc1sc(Cc2nc3ccccc3s2)nc1-c1ccc(NS(C)(=O)=O)cc1 6975371 QSPFIYPVXNFPRE-UHFFFAOYSA-N 415.565 4.691 0 40 HJAB CCCc1n[nH]c(=S)n1NCc1cccc(OC)c1OCc1ccc(Cl)cc1 7601291 IRCGWIWAWFROSC-UHFFFAOYSA-N 418.950 4.878 0 40 HJAB Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c(C)c1 7616055 BXHORIORCYIVAR-UHFFFAOYSA-N 417.896 4.972 0 40 HJAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@H]1COc2ccc(Cl)cc2C1 7960654 GRMLXSFHIKLQHA-QGZVFWFLSA-N 422.916 4.515 0 40 HJAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=S)Nc1cccc(C(F)(F)F)c1 7987367 CPDDPXDGNZADGM-UHFFFAOYSA-N 401.841 4.626 0 40 HJAB Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 8024516 WCYWJDMMUDXQJO-UHFFFAOYSA-N 418.459 4.634 0 40 HJAB CCCCCCn1nc(C(=O)Oc2ccc(F)c(Cl)c2)c2ccccc2c1=O 8395067 XMXAWPYFFYMZNS-UHFFFAOYSA-N 402.853 4.989 0 40 HJAB O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccc(Br)o1 8722892 COCDRRWCLSNMDU-NSHDSACASA-N 400.656 4.506 0 40 HJAB O=C1Nc2ccc(Cl)cc2[C@@]12Oc1ccccc1[C@H]1CC(c3ccc(F)cc3)=NN12 8798539 SLVBBLSCBBHIBX-NFBKMPQASA-N 419.843 4.828 0 40 HJAB COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)c1OC 9135161 FWIICWNSTFLVPC-UHFFFAOYSA-N 424.840 4.968 0 40 HJAB CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccccc1F 9250382 OEEJHQVLDQAAMX-UHFFFAOYSA-N 424.497 4.764 0 40 HJAB O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)Nc1cc(F)ccc1F 9349101 PMYGUJOLZOOUOL-UHFFFAOYSA-N 413.471 4.811 0 40 HJAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1C 9517157 BZOJZLCMHAVMQP-OAQYLSRUSA-N 423.314 4.641 0 40 HJAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccc(N2C(=O)CCC2=O)c1 9599506 LTLVVRUGWOGSGT-UHFFFAOYSA-N 420.277 4.509 0 40 HJAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(C)cc2)cc1 10326556 JMHAMDSVYUMIRR-SFHVURJKSA-N 420.534 4.696 0 40 HJAB CC(C)[C@@H](NC(=O)CSc1ncccc1Cl)c1ccc2c(c1)OCCCO2 11250557 XLPPUWWMVHCQRY-LJQANCHMSA-N 406.935 4.502 0 40 HJAB Cc1noc(C)c1C(=O)NC1CCN(C[C@H](c2ccccc2)C2CCCCC2)CC1 12188804 STUVSDTVCCQCTD-HSZRJFAPSA-N 409.574 4.850 0 40 HJAB O=C(Cc1ccccc1)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12237300 YTLPIKZXSVGNEA-UHFFFAOYSA-N 417.534 4.681 0 40 HJAB O=C1C[C@@H](c2cccs2)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 12374970 ISTOQGYIRGDLEN-LBPRGKRZSA-N 409.941 4.770 0 40 HJAB Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442026 SLECFKUIJDLTKB-HNNXBMFYSA-N 422.485 4.849 0 40 HJAB CCCn1c(S[C@@H](C(=O)c2c[nH]c3c(CC)cccc23)c2ccccc2)n[nH]c1=O 12596059 HCUBIIPEEYRACF-OAQYLSRUSA-N 420.538 4.741 0 40 HJAB COc1cc(C(=O)Nc2cccc3ncccc23)ccc1OCc1csc(C)n1 12858917 YUUQNGKZZHVSEM-UHFFFAOYSA-N 405.479 4.840 0 40 HJAB CC(C)c1nnc(S[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)n1C1CC1 12995662 GGFJFVSTLZMBOT-QGZVFWFLSA-N 412.603 4.698 0 40 HJAB CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 13757640 XMMKDNVRLXROGB-DHWLSRIRSA-N 410.489 4.721 0 40 HJAB C[C@@H]1CN2c3ccccc3C(C)(C)[C@@]2(/C=C/c2ccc(Br)cc2)NC1=O 16609645 CGYITOVXPZRNNO-KWDATYPUSA-N 411.343 4.722 0 40 HJAB Cc1noc2nc([C@@H]3CCCN(C(=O)c4ccccc4F)C3)cc(C(F)(F)F)c12 19564146 LNHMOXGZLQTBOA-GFCCVEGCSA-N 407.367 4.709 0 40 HJAB Cc1nnsc1C(=O)Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12 20894200 QYKSPVHWDHCTIO-UHFFFAOYSA-N 412.858 4.751 0 40 HJAB CCc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCCCC3)c(O)n2n1 22853137 JWNFQQOTXICVQP-OAHLLOKOSA-N 411.358 4.941 0 40 HJAB O=C(NCc1ccccc1)c1ccccc1OCc1coc(-c2ccc(F)cc2)n1 24258943 OZBZPJUJZQRLBJ-UHFFFAOYSA-N 402.425 4.990 0 40 HJAB O=C(Cc1cn2ccsc2n1)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 24277781 YAYNMZBGKSZJSB-NRFANRHFSA-N 407.564 4.784 0 40 HJAB COc1ccc(CN(C)C(=O)c2cc3ccc(C)cc3nc2C)cc1OC(F)F 25147143 ZTCPKMKBHSGLPQ-UHFFFAOYSA-N 400.425 4.734 0 40 HJAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)N[C@H](Cc1ccccc1)c1ccccc1 25622982 QMCBJNCTNNGMHN-JOCHJYFZSA-N 415.489 4.521 0 40 HJAB CCCOc1ccc(-c2nsc(NC(=O)c3ccc(OCC)cc3)n2)cc1OC 28287263 FLSDNLRTQDCGOO-UHFFFAOYSA-N 413.499 4.654 0 40 HJAB Cn1c(SCc2ccc(F)cc2)nnc(Nc2cc(Cl)cc(Cl)c2)c1=O 28538399 RVNAEEZRNXECKI-UHFFFAOYSA-N 411.289 4.657 0 40 HJAB COc1ccc(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(OC)c1OC 29472977 BRTIZNMGVZZRNJ-UHFFFAOYSA-N 404.677 4.854 0 40 HJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CCN(c2cccc(C)c2C)CC1 30757454 DZFGJEFPPFBOAQ-XMMPIXPASA-N 402.538 4.963 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 30863985 IJIVXUACGSBXCM-GOSISDBHSA-N 408.523 4.595 0 40 HJAB O=C(NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1)c1cc2ccccc2o1 32115657 NWOLDVOLKHLLIU-UHFFFAOYSA-N 414.446 4.763 0 40 HJAB Cc1cccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c1C 33272003 MWBRZSUPAMXNGL-UHFFFAOYSA-N 406.507 4.670 0 40 HJAB COc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)cc1 33872648 SSYKHTMDKICIKT-UHFFFAOYSA-N 408.310 4.773 0 40 HJAB O=C(Nc1ccc2c3c(cccc13)CC2)c1cc(-n2cnnc2)ccc1Br 35684154 CLDVOSXBLRFKJP-UHFFFAOYSA-N 419.282 4.534 0 40 HJAB C[C@H](CC(=O)Nc1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 40030634 SMUKXHXSGVFHLW-OAHLLOKOSA-N 400.525 4.681 0 40 HJAB Cc1nn(C)c(C)c1CN(C(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 46086963 IADKCBISJWLQLY-UHFFFAOYSA-N 418.324 4.956 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCCN1CCC[C@H](C)C1 48237232 WYYRXKLLJIFSEY-AWEZNQCLSA-N 407.917 4.684 0 40 HJAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccncc2)CO4)cc1 57121060 BOZGYKPZFOZMIK-UHFFFAOYSA-N 414.461 4.524 0 40 HJAB biogenic CC(C)c1nnc2c(SCC(=O)Nc3cccc(Cl)c3)nc3ccccc3n12 64949188 XMGVJTRKKKJYJE-UHFFFAOYSA-N 411.918 4.785 0 40 HJAB CCCCOCCN(Cc1nnsc1Cl)c1cccc(Br)c1 72289502 VNGMYOQELSZZMH-UHFFFAOYSA-N 404.761 4.777 0 40 HJAB CC(=O)N1CCCCC[C@H]1Cc1c(C(=O)Nc2c(C)n[nH]c2C)sc2ccccc12 72370771 YWRCZAZWTCSWDX-KRWDZBQOSA-N 424.570 4.827 0 40 HJAB COc1ccc(C2(CNC(=O)c3sc(C)nc3-c3ccccc3)CCOCC2)cc1 72403168 VGLOBUWLUPTYJW-UHFFFAOYSA-N 422.550 4.605 0 40 HJAB CC(C)NC(=O)N1CCC(c2cc3c(ncn3C(C)C)c(-c3ccccc3)n2)CC1 96267170 NEDDLJWBVCPYMB-UHFFFAOYSA-N 405.546 4.977 0 40 HJAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OC(C)=O 106684272 ALTZXMVHCBOVRY-ZDLGFXPLSA-N 417.870 4.510 0 40 HJAB COc1ccc(/C=C(/C(=O)NCc2ccc(OC)c(OC)c2)c2ccccc2)cc1 216346511 QOGJZZOPGMWNRL-PXLXIMEGSA-N 403.478 4.569 0 40 HJAB O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)C1CCCCC1 222972764 ANVJLRRLENWEDL-UHFFFAOYSA-N 418.946 4.610 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 223191777 SSGHSDFYCPFTSA-GOSISDBHSA-N 400.950 4.525 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C(C)C 223492726 OYQUTADMCCWHBY-FCHUYYIVSA-N 405.571 4.649 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 223577405 WEWHXPWEYYMXOV-HXUWFJFHSA-N 408.586 4.779 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 223864576 FQGRFIDNSZRSFR-INIZCTEOSA-N 421.368 4.706 0 40 HJAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccccc1OC 224579644 KKUPWOFAAJBFGK-UHFFFAOYSA-N 405.494 4.945 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C 224621197 WLYILKFUYTYXHL-QHCPKHFHSA-N 424.585 4.570 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)c1 224731658 LODQGNSIJNPZOH-NRFANRHFSA-N 406.570 4.712 0 40 HJAB COC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc2ccccc2c1 225063730 GEDDDRVXKJWFHM-UHFFFAOYSA-N 424.305 4.515 0 40 HJAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)N[C@@H](C)CCc2ccccc2)n1 225205068 CMEBKEGOJJBWNW-HNNXBMFYSA-N 409.534 4.975 0 40 HJAB O=C(COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1)N1CCCC1 225544611 XXKUVQYKHBDSKW-UHFFFAOYSA-N 424.516 4.668 0 40 HJAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 239328955 JWMCNGZAHWTGLW-PWLKQHPYSA-N 412.508 6.375 0 40 HJAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 252461637 NEMWYOKGHGSVSC-INZDFQLNSA-N 415.662 4.563 0 40 HJAB biogenic O=C(c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCC[C@@H]2C[C@H]21 672129754 GDJJLTXCXFMZNS-IUODEOHRSA-N 418.444 4.639 0 40 HJAB C[C@H]1CC[C@@H](C(F)(F)F)CN1c1cc(N2C[C@@H](C(F)(F)F)CC[C@H]2C)ncn1 681237723 HHENBTHAADGCFO-LVEBTZEWSA-N 410.406 4.811 0 40 HJAB CC(C)c1ccc2c(c1)NC(=O)C[C@@H]1CCN(C(=O)c3cccs3)C[C@@H]1CCO2 1534646118 CEKAOXFEDMANHA-ROUUACIJSA-N 412.555 4.761 0 40 HJAB CN(C)c1ccc(-n2nc3ccc(NC(=O)c4cccc5ccccc45)cc3n2)cc1 990020 PQZKUTOJRLAZLZ-UHFFFAOYSA-N 407.477 4.892 0 40 HJAB CC(C)n1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c2ccccc21 1012826 HURXVRAICJQOSU-UDWIEESQSA-N 419.506 4.897 0 40 HJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccccc1N1CCOCC1 1340040 DNYZVCOUKXNIJV-UHFFFAOYSA-N 421.566 4.673 0 40 HJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)n1C 2650419 ZPTHAVPYYQAERZ-UHFFFAOYSA-N 422.341 4.532 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(OC(F)(F)F)cc1 3323812 CJGRVWXRPFZOPR-UHFFFAOYSA-N 422.384 4.732 0 40 HJAB Cc1cc(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)c(C)n1C[C@H]1CCCO1 3379089 LMBSTQXUFIDKOE-HSZRJFAPSA-N 417.505 4.777 0 40 HJAB C[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)c2C(N)=O)C1 4176544 MRALUQRUTCMZAU-SNVBAGLBSA-N 415.902 4.533 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)c1oc2ccccc2c1NC(=O)[C@@H]1CCCO1 4342014 DFSXJFMJDWHDIL-INIZCTEOSA-N 402.809 4.595 0 40 HJAB CCc1cccc2cc3c(N)c(C(=O)Nc4ccc5c(c4)OCCO5)sc3nc12 5000282 GWJUYQRUTGOGCE-UHFFFAOYSA-N 405.479 4.618 0 40 HJAB Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)no1 5324645 XODZGKPDSBLIIM-GOSISDBHSA-N 410.788 4.632 0 40 HJAB COc1ccc(NC(=S)NC2CCCCC2)cc1NC(=S)NC1CCCCC1 6275195 JLHHWHHSWBKKEB-UHFFFAOYSA-N 420.648 4.933 0 40 HJAB CCCCC(=O)NC(=S)Nc1cc2nn(-c3cccc4ccccc34)nc2cc1C 6593837 MEKUBQCYSDFYTF-UHFFFAOYSA-N 417.538 4.885 0 40 HJAB COc1ccc(OC(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)cc1 6748020 SOZGZXHWYPVGSK-UHFFFAOYSA-N 400.887 4.959 0 40 HJAB Cc1c(Cl)cnc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)c1Cl 6887210 VHWDFYVDOQGKJG-UHFFFAOYSA-N 408.068 4.799 0 40 HJAB O=C1CCC[C@H]1Sc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 6932745 XAQGYUQZGUHLPR-QGZVFWFLSA-N 405.306 4.906 0 40 HJAB COc1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc(OC)c1OC 7599188 FLKIOZRYGMLUOL-UHFFFAOYSA-N 410.451 4.834 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)n2)cc1 8061431 RPVJPJUTOOMWJK-UHFFFAOYSA-N 416.886 4.886 0 40 HJAB Cc1noc(C)c1CC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 8190065 UKIYJLUJRPSBCK-IBGZPJMESA-N 407.901 4.917 0 40 HJAB Cc1ccc(N(CCCC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1 8498831 RRWBTNFLOADQDJ-UHFFFAOYSA-N 422.550 4.847 0 40 HJAB Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)Nc2ccc(F)c(F)c2)cc1 9132256 SBHMRPPLSHUMNS-AWEZNQCLSA-N 413.449 4.651 0 40 HJAB COc1cc(Cn2cc(CC(=O)NCc3cccs3)c3ccccc32)cc(OC)c1 9581748 FGYBBPJDEYJWCI-UHFFFAOYSA-N 420.534 4.627 0 40 HJAB COc1ccccc1[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(C)cc2)c2ncnn21 10060383 TUOQOYOPYCEZCS-PKTZIBPZSA-N 424.504 4.976 0 40 HJAB CCOc1ccc2oc(C(=O)N[C@@H](c3ccc(F)cc3)c3nccn3C)c(C)c2c1 10656335 XXASONHZUDFTGU-FQEVSTJZSA-N 407.445 4.532 0 40 HJAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1 11650010 HCIXVJCUBOVIHF-UHFFFAOYSA-N 424.309 4.707 0 40 HJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC)O[C@@H](C)C2 12590773 SSWAPUYMGPHPGU-STQMWFEESA-N 404.894 4.510 0 40 HJAB CCC(C)(C)NC(=O)[C@H](OC(=O)c1nsc(Cl)c1Cl)c1ccccc1F 12642990 GJXNWYJGSSAGSR-CYBMUJFWSA-N 419.305 4.792 0 40 HJAB O=C(Nc1nc2c(s1)CCCC2)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 12773676 RJPFKCKMNCTIIQ-UHFFFAOYSA-N 410.396 4.618 0 40 HJAB Cc1noc(CSc2ccccc2C(=O)NCc2ccc(Cl)cc2Cl)n1 12943709 FHHUBNOFANFUFD-UHFFFAOYSA-N 408.310 4.907 0 40 HJAB COc1cc(NC(=O)CSc2nccc(-c3ccc(C)c(C)c3)n2)cc(OC)c1 15829375 VWFCGWRNZKDMKY-UHFFFAOYSA-N 409.511 4.508 0 40 HJAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Br)cc1 16751690 BAIYIJRMXZFVLI-GOSISDBHSA-N 412.283 4.901 0 40 HJAB CNS(=O)(=O)c1cc(-c2nnc(Nc3ccc(C)cc3)c3ccccc23)ccc1C 17122640 DIRNNFZLTPRZQR-UHFFFAOYSA-N 418.522 4.565 0 40 HJAB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccccc1 18091277 GOYZKYVQWGNNAH-NJYVYQBISA-N 422.843 4.530 0 40 HJAB CS(=O)(=O)c1ccc(CC(=O)Nc2cc3ccccc3nc2C2CCCCC2)cc1 19573438 QCBRFMKTDRKTKB-UHFFFAOYSA-N 422.550 4.867 0 40 HJAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)Cc3cccc(OC)c3)c2)cc1 19691408 ZSEBOIUCXNEQQZ-VWLOTQADSA-N 416.521 4.980 0 40 HJAB Cc1cn2c(=O)cc(CSc3ccccc3NC(=O)c3cccs3)nc2s1 21535924 KYLLHYDWZHHUEB-UHFFFAOYSA-N 413.549 4.671 0 40 HJAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)cn2C 22237236 RTIITFBRWGMCNG-UHFFFAOYSA-N 424.806 4.862 0 40 HJAB COc1cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc(Cl)c1OC 24033380 VHXDYBFKFUVGAE-UHFFFAOYSA-N 416.886 4.923 0 40 HJAB COc1ccc(Cc2nc(-c3cccc(NC(=O)Cc4ccc(F)cc4)c3)no2)cc1 32647486 MYHMEJHRAYRPKS-UHFFFAOYSA-N 417.440 4.656 0 40 HJAB O=C(N1CCN(c2ccccc2)CC1)C1(Cc2nc3ccccc3s2)CCCC1 32726837 NBAQNBZZUMWBBM-UHFFFAOYSA-N 405.567 4.748 0 40 HJAB O=C(CSc1nc(-c2ccco2)nc2ccccc12)N1CCC(c2ccccc2)=N1 32868669 ZRRPGECATZTHQW-UHFFFAOYSA-N 414.490 4.619 0 40 HJAB CCCn1c(=O)c2cc(F)ccc2n2c(SCc3c(F)cccc3Cl)nnc12 33256536 BZIPKEYQTRJXRX-UHFFFAOYSA-N 420.872 4.678 0 40 HJAB COc1ccc([C@@H]2CCCN2Cn2nc(-c3cccs3)c3ccccc3c2=O)cc1 40091152 QXKQTSCRICOWQO-NRFANRHFSA-N 417.534 4.928 0 40 HJAB CSc1ccccc1CN1CCC(CNC(=O)c2nc3ccccc3s2)CC1 43991295 GQGMMWSBQSSCCQ-UHFFFAOYSA-N 411.596 4.660 0 40 HJAB Cc1cccc(-c2noc(C3CCN(CC(=O)Nc4cccc(Cl)c4)CC3)n2)c1 49403233 MWAIMKLTSOUMPE-UHFFFAOYSA-N 410.905 4.517 0 40 HJAB CC(=O)c1cccc(NC(=O)CN[C@@H](c2ccc3c(c2)CCC3)c2cccs2)c1 57381145 BNUMJGXMERAQMG-DEOSSOPVSA-N 404.535 4.757 0 40 HJAB CN(C(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1)C1CCCCC1 57400872 VXCFSBLBSWUBBS-UHFFFAOYSA-N 408.523 4.911 0 40 HJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cc(F)ccc3Cl)n2)cc1 57486835 LTWONBBNBXACGV-UHFFFAOYSA-N 410.836 4.945 0 40 HJAB COc1ccc2c(c1)N[C@]1(CCCN(CCCOc3ccccc3)C1)c1cccn1-2 57719910 MLZWUHLYRUKOGD-VWLOTQADSA-N 403.526 4.672 0 40 HJAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)Cc3ccc(Br)cc3)c12 58404783 LVSDKKYCOYUPSM-LLVKDONJSA-N 414.303 4.532 0 40 HJAB CCc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)c1 67292766 ISDKSBFHNHUBIM-YXKKDJNZSA-N 410.901 4.790 0 40 HJAB Cc1cc(C(F)(F)F)nc(CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 77101107 OOKONZORLBHUJL-UHFFFAOYSA-N 411.855 4.628 0 40 HJAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2ccsc2)cc1 85878065 QCFXAWIMXVAZBP-HNNXBMFYSA-N 420.442 4.677 0 40 HJAB biogenic COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC=C(c2c[nH]c3ccccc23)CC1 89518840 WAOFAAFIOZFKTM-HNNXBMFYSA-N 409.917 4.946 0 40 HJAB CCn1c(S/C(=C\c2cccc(OC)c2)C(=O)O)nnc1-c1ccc(Cl)cc1 211522453 BNXAVQBYXOMUQT-ATVHPVEESA-N 415.902 4.845 0 40 HJAB Cc1ccc(N2CCC(C(=O)NCCSCc3cccc(Cl)c3)CC2)cc1 219851458 MTAGJQDLXPHVIX-UHFFFAOYSA-N 402.991 4.914 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 223358563 KLWOLNCRBAVWHA-FQEVSTJZSA-N 418.940 4.744 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2C)c1 223945446 HYOUNYZPLXXTED-SFHVURJKSA-N 408.523 4.595 0 40 HJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)s1 224859203 HISSMYDEDKSZCN-ROUUACIJSA-N 401.944 4.988 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1F 225067094 KKSXSSOOHSWWLE-XMMPIXPASA-N 424.560 4.933 0 40 HJAB Cc1ccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)cc1 225516657 OHLJEPHJQVIGQH-QGZVFWFLSA-N 418.990 4.682 0 40 HJAB CC1(C)C[C@H](NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2O1 225579103 RGBKWTATDSGAOX-FQEVSTJZSA-N 423.582 4.902 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 225667686 WLXVSAZUKMKJAM-XXBNENTESA-N 412.549 4.707 0 40 HJAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1ccc(F)c(Cl)c1 225819278 QSJIPTUZTADRGG-UHFFFAOYSA-N 424.657 4.863 0 40 HJAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1ccc2c(c1)OCO2 225832166 BRBJWKOKXGFGDZ-UHFFFAOYSA-N 413.433 4.704 0 40 HJAB O=C(Cc1cccc(O)c1)N1CC[C@@H](Nc2ccccc2)[C@@H](Cc2ccccc2)C1 257271705 MZLFBZXCCIJRKC-WIOPSUGQSA-N 400.522 4.507 0 40 HJAB Cc1ccccc1O[C@@H](C)C(=O)N(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1 408714393 PXCJHBHETCBFMO-KRWDZBQOSA-N 407.514 4.768 0 40 HJAB Cc1ccc(N([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1C 409409544 HUWUXMRLPXWCHT-GOSISDBHSA-N 402.560 4.528 0 40 HJAB CSCc1cc(C(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)ccc1F 598791765 LNBNXWYEZQMASS-KRWDZBQOSA-N 401.425 4.561 0 40 HJAB CCCCNC(=O)c1ccc2c(c1)CN(C(C)C)CCCCCCCN2C(C)=O 643577958 KQNXCYZQIVFPNJ-UHFFFAOYSA-N 401.595 4.744 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1 790153 IGCDDTVNKYUDAA-UHFFFAOYSA-N 417.538 4.726 0 40 HJAB COC(=O)c1c(NC(=O)/C(Br)=C/c2ccccc2)sc2c1CCCC2 956751 UUZKGCBEWQCZCH-KAMYIIQDSA-N 420.328 4.788 0 40 HJAB COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(Cl)cc3)cc2)c1 992967 ISFGLXNWMBWSSX-UHFFFAOYSA-N 424.836 4.608 0 40 HJAB ClC(Cl)(Cl)c1nc(NNc2ccccc2)nc(C(Cl)(Cl)Cl)n1 1058612 FDMYZJSEPUMSNJ-UHFFFAOYSA-N 421.930 4.964 0 40 HJAB Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1Cl 1221537 ZCSITGRAQSJXTM-UHFFFAOYSA-N 409.902 4.508 0 40 HJAB COc1ccccc1[C@@H](O)[P@](=O)(OC1CCCCC1)c1ccc(N(C)C)cc1 2366144 DQRJBSVBSJPXDF-RBISFHTESA-N 403.459 4.705 0 40 HJAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1 2450207 FJBCTDFVEIBJIF-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1NC(=O)c1cccs1 2505881 FXBQJKLKNMBCRH-UHFFFAOYSA-N 403.507 4.763 0 40 HJAB biogenic,in-vitro O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccccc2)CC1 3175362 LGUKCQFNXGAKBM-UHFFFAOYSA-N 414.534 4.563 0 40 HJAB COc1cccc(-n2c(SCCOc3ccccc3)nc3ccccc3c2=O)c1 3293089 CISAVPQIHROUAE-UHFFFAOYSA-N 404.491 4.565 0 40 HJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1Oc1ccccc1 3406921 SBSFKKWKKSJUJF-UHFFFAOYSA-N 402.479 4.995 0 40 HJAB COc1ccc(Nc2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)cs2)cc1 4676671 MHUJIUURLSHKIS-UHFFFAOYSA-N 402.859 4.588 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccccc1Cl 4690472 QOGDJXYFROAYCS-UHFFFAOYSA-N 416.934 4.666 0 40 HJAB CC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc(C(=O)O)c2O)c(O)c(C(=O)O)c1 5379772 JHHXPHFBQRNWIN-UHFFFAOYSA-N 400.471 4.680 0 40 HJAB CSCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1nnc2ccccn12 5425519 ALSOLNIRLNSDRH-FQEVSTJZSA-N 402.523 4.621 0 40 HJAB C[C@@H](NC(=O)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1)c1ccccc1 6525356 JLDNBSINLCOTIM-HYBUGGRVSA-N 400.522 4.858 0 40 HJAB COC(=O)c1c(NC(=O)CSc2nc3ccccc3s2)sc2c1CCCC2 6879010 SGQAGHFWOBFTOB-UHFFFAOYSA-N 418.565 4.754 0 40 HJAB CCCc1nnc(S/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)O)[nH]1 7342273 SGJAZLCBQLFYKB-PDGQHHTCSA-N 413.474 4.693 0 40 HJAB Cc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)c1 7496852 NZDRITPETAGKCZ-UHFFFAOYSA-N 413.949 4.595 0 40 HJAB O=C(Nc1cc2c(cc1Br)OCCO2)c1cc2c(s1)CCCCC2 7735320 KVKSPPLMABOXBO-UHFFFAOYSA-N 408.317 4.803 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3CC)C2)cc1 7881905 WFEZCOKEUOYCEQ-HXUWFJFHSA-N 422.525 4.588 0 40 HJAB Cc1c(Cl)c(C(F)F)nn1CC(=O)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1 8536027 MLENVCUAOGZNAG-UHFFFAOYSA-N 423.895 4.543 0 40 HJAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 8562875 IARFENMLCQGNSY-LJQANCHMSA-N 414.505 4.996 0 40 HJAB CC(=O)Nc1ccc(NC(=O)Cc2csc(SCc3ccc(C)cc3)n2)cc1 8936900 QFTVJHPUQKHLGJ-UHFFFAOYSA-N 411.552 4.883 0 40 HJAB O=C1Cc2cc(C(=O)CSc3ncnc4sc(-c5ccccc5)cc34)ccc2N1 9244668 TXXJLNSBVOWMGP-UHFFFAOYSA-N 417.515 4.828 0 40 HJAB O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 9516702 LTMUYJOVEVVSMX-IEBWSBKVSA-N 424.570 4.615 0 40 HJAB C[C@H](Sc1nc(Nc2ccccc2)c2ccccc2n1)C(=O)NCc1ccco1 9548594 JIWOBHQJJIIHSP-HNNXBMFYSA-N 404.495 4.763 0 40 HJAB CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(C(C)(C)C)cc2)n1 12126016 XZNBNLWHKMFXMS-UHFFFAOYSA-N 419.529 4.506 0 40 HJAB CC1(C)C[C@H]2C[C@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)C1 12322660 UAENYAGEVSRORJ-ZLXGRDSLSA-N 405.336 4.957 0 40 HJAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)cc1 12342005 PYQJQVRYQDUKLN-UHFFFAOYSA-N 403.869 4.967 0 40 HJAB Cc1cc(C)c(NC(=O)CNC(=O)c2cc(-c3cccnc3)nc3ccccc23)c(C)c1 12553038 YIJNOVGOSKTJBQ-UHFFFAOYSA-N 424.504 4.591 0 40 HJAB COc1ccc(Cl)cc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1 12979187 UFOYWNDOEWVWSU-UHFFFAOYSA-N 402.903 4.874 0 40 HJAB CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(Cc2ccc(Cl)cc2)C1=O 15012625 PJDMMKZUPHRLHO-DEDYPNTBSA-N 406.869 4.985 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 16321873 JLYQTAVPLWZAFP-SWLWOFJYSA-N 416.558 4.772 0 40 HJAB Cc1ncc(CN2CCC[C@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c34)C2)cn1 19287224 MVKZBCHETYPALL-HNNXBMFYSA-N 419.451 4.843 0 40 HJAB COc1cccc(-c2ccc([C@H]3CN(Cc4cccc5ncccc45)CCO3)nc2)c1 19693659 HXOGNUALQJIWSJ-AREMUKBSSA-N 411.505 4.879 0 40 HJAB FC(F)(F)c1ccc(OCCc2cc([C@H]3CCCN3Cc3cccnc3)n[nH]2)cc1 19703684 UIJHTFBRCPNETM-OAQYLSRUSA-N 416.447 4.782 0 40 HJAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2ccc(Br)cc21 20722601 VRGJZIKSIZULLN-AWEZNQCLSA-N 410.315 4.633 0 40 HJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 22533007 YPZRINZBYXYSMG-GOSISDBHSA-N 423.918 4.653 0 40 HJAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)Cc1nc(-c2cccs2)no1 24572850 IAKNXGIXTUITFT-QGZVFWFLSA-N 405.907 4.578 0 40 HJAB COc1ccc(Cc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)no2)cc1 32609624 FXPGIDPUOYSGRM-UHFFFAOYSA-N 403.413 4.727 0 40 HJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(C)CCOc1ccccc1Cl 32788943 YJLUHDYZKHLNJI-UHFFFAOYSA-N 418.324 4.698 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@H]3CCCc4ccccc43)CCCC2)c1 32856035 XUQLWCKMXCQKKQ-NRFANRHFSA-N 411.567 4.584 0 40 HJAB CCOC(=O)c1sc(-c2ccc3c(c2)OCO3)cc1NC(=O)c1ccc(Cl)o1 40013347 DGSJICIVOOHEJT-UHFFFAOYSA-N 419.842 4.819 0 40 HJAB CSc1nccn1-c1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 42764007 GIVIYPIMUATAIX-UHFFFAOYSA-N 418.522 4.755 0 40 HJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(c2ccc(Cl)nn2)CC1 46570224 GQLFMJWQWPTWHL-UHFFFAOYSA-N 419.234 4.657 0 40 HJAB Cc1cc(O[C@H](C)C(=O)N[C@@H](c2ccccc2F)c2nccn2C)ccc1C(C)C 48354123 IFJAOSVAEFTBBH-VGSWGCGISA-N 409.505 4.664 0 40 HJAB Cn1ccnc1-c1nc(NCCCOc2ccccc2)ncc1-c1cccc(F)c1 57775476 QJDJYPDYSAYIGF-UHFFFAOYSA-N 403.461 4.564 0 40 HJAB CC(=O)Nc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 72348665 UDSKQUVSIJIUSG-HXUWFJFHSA-N 417.484 4.866 0 40 HJAB Cc1cc(C(=O)CN2CCO[C@H](c3ccc(Cl)cc3)C2)c(C)n1CC(F)(F)F 84079588 QVZVMIFINABFCO-IBGZPJMESA-N 414.855 4.577 0 40 HJAB CN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)C(=O)Nc1ccc(Cl)cc1 95116855 SXOMVDHZBXWGCI-GOSISDBHSA-N 407.901 4.973 0 40 HJAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2)C1=O 214479996 QUMIHXXUTVGUNZ-SJPXOZHESA-N 410.495 4.539 0 40 HJAB C[C@H](Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)c1ccccc1)c1ccccc1 217477857 VKIXHDNJTZEGLQ-IRXDYDNUSA-N 424.522 4.597 0 40 HJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCCc2ccccc21 219355570 LKVVVKAJFROJKW-VWLOTQADSA-N 402.538 4.956 0 40 HJAB CC(C)C[C@H](NC(=O)COc1ccc(I)cc1)c1ccccc1 219835447 CVLQQPSJHQPLRJ-SFHVURJKSA-N 423.294 4.574 0 40 HJAB CCOc1ccccc1NC(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220711249 WHBICVARWWQIRP-INIZCTEOSA-N 424.476 4.761 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 222549937 PQWPUVOLWZZULH-IBGZPJMESA-N 422.550 4.620 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 223208601 KNGATEBSRCIRSK-HSZRJFAPSA-N 424.585 4.713 0 40 HJAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccc(C)cc1 224129258 RTDZHAPPXMVVDA-UHFFFAOYSA-N 404.466 4.793 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 225491306 SCHZCUZZBMCITQ-UWJYYQICSA-N 400.950 4.605 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 225491385 VQEQSYFSXSQMCB-LAUBAEHRSA-N 400.950 4.605 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 225714806 XMIHDWIRMHVHST-JOCHJYFZSA-N 412.599 4.642 0 40 HJAB C[C@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NCc3ccco3)n2)C1 225912449 AONGGOYMKBNTGK-INIZCTEOSA-N 423.542 4.585 0 40 HJAB CC[C@]1(C(=O)c2ccc(C)cc2)[C@H]2c3c(ccc4ccccc34)OC(=O)[C@]21C(=O)OC 230010290 KQWIHRUGKSRLSB-LPPUWEFUSA-N 414.457 4.603 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n(C)n1 257226021 FIUKXWJJGNZQEC-IBGZPJMESA-N 412.921 4.753 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(Cl)c(OC)c(OC)c3)N21 260759515 GQYGGFCBSOBVGD-BVGQSLNGSA-N 403.935 4.732 0 40 HJAB CC(C)n1cc(CN2CCC[C@@H](c3nc4ccc(-c5cccs5)cn4n3)C2)cn1 306127447 FYTKSXZBOUFSAW-LJQANCHMSA-N 406.559 4.615 0 40 HJAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c(C)cc1Br 408643019 QNHPVMMNDBOUOF-INIZCTEOSA-N 415.331 4.674 0 40 HJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3c(F)cccc3Cl)C2=O)c1C 409350937 UWLZOAGBIROOQV-MFOYZWKCSA-N 418.877 4.771 0 40 HJAB CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1csc(-c2nc[nH]n2)n1 511786977 WAZMOIHQXCAEEA-UHFFFAOYSA-N 424.357 4.924 0 40 HJAB CN1C(=O)CCc2cc(NC(=O)N3CCc4ccccc4[C@H]3c3ccccc3)ccc21 594906532 LAELULCAJIFNID-RUZDIDTESA-N 411.505 4.775 0 40 HJAB C[C@H]1CN(Cc2ccccc2)C[C@]1(CC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 953087143 JSZVHFKTUXLNHT-FNZWTVRRSA-N 423.553 4.600 0 40 HJAB COc1ccccc1NC(=O)CSc1nnc(COc2cccc3ccccc23)o1 877682 UZEMEDNMYBKVHF-UHFFFAOYSA-N 421.478 4.541 0 40 HJAB COC(=O)c1c(NC(=O)COc2ccc(Cl)c(C)c2)sc2c1CC[C@H](C)C2 2592629 YODAKRNAZNJRKB-NSHDSACASA-N 407.919 4.639 0 40 HJAB Cc1cc(Cl)ccc1OCCCC(=O)N1CCN(c2cccc(Cl)c2)CC1 2633053 SZUWWPJQEWCUSM-UHFFFAOYSA-N 407.341 4.810 0 40 HJAB CC(=O)CCc1ccc2oc(C(=O)OCC(=O)Nc3cccc(C)c3C)c(C)c2c1 3301324 ANXSYTSCMNIZKD-UHFFFAOYSA-N 407.466 4.675 0 40 HJAB O=c1[nH]c(CSc2nnc(-c3cccs3)n2-c2ccccc2)nc2ccccc12 3360727 FTQSNDHEBOYRSF-UHFFFAOYSA-N 417.519 4.525 0 40 HJAB CSCC[C@@H](NC(=O)c1ccccc1C)C(=O)Nc1cccc(C(F)(F)F)c1 3457650 AMNXMVNLDUDHNP-QGZVFWFLSA-N 410.461 4.504 0 40 HJAB CCCCCCOC(=O)c1ccccc1N[C@@H]1OC(=O)c2c1ccc(OC)c2OC 3999503 JXKLPVGGLYJBTA-OAQYLSRUSA-N 413.470 4.722 0 40 HJAB biogenic COc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1cccs1)N1N=CNC1=N2 4291781 AZZQMNAVCYDKAF-FCHUYYIVSA-N 414.490 4.561 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)o2)cc1 4475405 RKIUBYAZWFCVKE-JCGIZDLHSA-N 404.532 4.841 0 40 HJAB CCOc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 4561837 XWIABBFGRGNIGR-INIZCTEOSA-N 410.449 4.686 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 4816629 DCDZGOLVCLLEFF-RTWAWAEBSA-N 408.477 4.539 0 40 HJAB CCCCC(=O)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Cc1cccs1 4848550 AOOLIKZHMVOZAK-UHFFFAOYSA-N 415.584 4.644 0 40 HJAB COc1cccc(-c2c(NC(=O)c3ccccc3F)n(C)c3ccccc3c2=O)c1 5246095 VRVJBXMJPRMWLC-UHFFFAOYSA-N 402.425 4.606 0 40 HJAB COc1ccc(OC)c(-c2cc3ccc(OC(=O)c4cccs4)cc3oc2=O)c1 5269404 CVLNJAIVXRRXEC-UHFFFAOYSA-N 408.431 4.758 0 40 HJAB biogenic O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccco2)N1c1nc2ccccc2s1 5322704 WFYASABIUMLSFK-GOSISDBHSA-N 400.415 4.746 0 40 HJAB COc1ccc([C@H]2CC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C2)cc1 5351747 NCWVHMAMNWPEEY-QGZVFWFLSA-N 401.441 4.765 0 40 HJAB O=C([C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1)N1CCCC1 5472641 ANPVIDUCJIQZEZ-IBGZPJMESA-N 404.495 4.674 0 40 HJAB COc1ccc([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2cccc(C)c2)cc1OC 6679118 AEKANYRMQWPEKE-VFNWGFHPSA-N 423.538 4.670 0 40 HJAB O=C(CSc1ncnc2sccc12)N[C@H](Cc1ccccc1)c1ccccc1 8262418 OWHTYFAWWRPUGK-LJQANCHMSA-N 405.548 4.884 0 40 HJAB Cc1n[nH]c(O)c1[C@H](c1ccc(-c2ccc(Cl)cc2Cl)o1)c1c(O)n[nH]c1C 8670655 YSOIASSDULPARY-UHFFFAOYSA-N 419.268 4.908 0 40 HJAB COc1ccccc1[C@H](C)NC(=O)COc1c(C)cc(Br)cc1Cl 8704536 HJBNTBKUKOTIRD-LBPRGKRZSA-N 412.711 4.676 0 40 HJAB O=c1nc(NCc2ccco2)ccn1-c1nc(-c2ccccc2)oc1-c1ccccc1 9445594 PUCAKFGZGHJZLC-UHFFFAOYSA-N 410.433 4.760 0 40 HJAB O=C(c1cccc(OCc2ccccc2)c1)N1CCC(C(=O)N2CCCCCC2)CC1 9531570 UUAFRIUCFDBILA-UHFFFAOYSA-N 420.553 4.520 0 40 HJAB CCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](c1cccs1)C3 10156943 MOUPAKVCWYSLPI-CYBMUJFWSA-N 408.914 4.981 0 40 HJAB Cc1oc(-c2cccs2)nc1COC(=O)Cn1c(C(F)(F)F)nc2ccccc21 11146708 RYEXMNNAOFUYOP-UHFFFAOYSA-N 421.400 4.823 0 40 HJAB Cc1cccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)c1C 11914571 YVQQGOZMCHMKBC-OAQYLSRUSA-N 400.950 4.679 0 40 HJAB Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCC[C@H]2C)c1 12062365 HJRBJYBIOLTWKJ-LJQANCHMSA-N 423.582 4.917 0 40 HJAB Cc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)c2ccco2)cc1 12389563 SYASHAWXWNEJJH-UHFFFAOYSA-N 400.500 4.672 0 40 HJAB Cc1noc([C@@H](C)Sc2nc3scc(-c4ccc(C)c(C)c4)c3c(=O)n2C)n1 12914074 QNNYARHKOSAJCA-GFCCVEGCSA-N 412.540 4.824 0 40 HJAB COc1ccc2nc(SCC(=O)NC(c3ccccc3)c3ccccc3)[nH]c2c1 13284553 NFHGYOISXIPWFO-UHFFFAOYSA-N 403.507 4.569 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)ccc21 13681907 NZHRYSGTWCFHQA-UHFFFAOYSA-N 421.522 4.747 0 40 HJAB O=C(/C=C/c1ccc(Br)s1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 14171536 ZFVFCEFVHUNMQP-SBJJXXPASA-N 420.328 4.659 0 40 HJAB CCCN(Cc1ccc(C)cc1)C(=O)COC(=O)/C=C/c1cccc2cccnc12 14812620 DRORFMLMRGKVOF-BUHFOSPRSA-N 402.494 4.538 0 40 HJAB CCc1nc2sc([C@H](c3cccc(Cl)c3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 16690099 KNQFVMFTIGUJOB-AHIWAGSCSA-N 404.967 4.780 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C(C)(C)C 16780600 JDFNPEWUDJQZEY-UHFFFAOYSA-N 412.349 4.946 0 40 HJAB Cc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1C 17090095 ZILXMRBLRDKLGX-OAHLLOKOSA-N 414.571 4.632 0 40 HJAB Cc1ccc(NC(=O)c2cc([C@H]3CCCN(C(=O)C4CCCCC4)C3)no2)c(C)c1 19132628 ZMXBGZICAYPBOI-IBGZPJMESA-N 409.530 4.830 0 40 HJAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)CC2CCCC2)nc(C2CC2)n1 19592094 HFUSVDFHCCRNFY-NRFANRHFSA-N 417.557 4.857 0 40 HJAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)C2CCCCC2)cc1 19694400 LGACRTZSUQKSRY-JOCHJYFZSA-N 422.573 4.852 0 40 HJAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCC[C@H](C)C5)C4=O)cc3)sc2c1 19890027 KZHWHWUVOWMIFU-OXJNMPFZSA-N 419.550 4.636 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)cc1 20109013 DKYHTCFMURMNKE-QHCPKHFHSA-N 420.534 4.603 0 40 HJAB COc1ccc(C(C)=O)cc1CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 25076447 MFJBOUJDLYHTCU-UHFFFAOYSA-N 420.475 4.625 0 40 HJAB CCc1ccc(OCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 28288022 ZFCFJNFIGXMVOP-UHFFFAOYSA-N 400.931 4.764 0 40 HJAB CCn1c(CSc2nc3ccccc3s2)nnc1S[C@@H](C)c1nc(C)no1 32905998 FGAVSDFBAXQWFN-JTQLQIEISA-N 418.573 4.745 0 40 HJAB C[C@H](NC(=O)c1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 39546201 RJJHXLNMLKKLOQ-MBSDFSHPSA-N 423.557 4.569 0 40 HJAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 40103698 LEBBPIVZHXGDDT-NSHDSACASA-N 402.850 4.561 0 40 HJAB CC(C)Oc1cccc([C@@H](C)NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1 40112820 REZZLOMTXCAXRH-HXUWFJFHSA-N 422.569 4.522 0 40 HJAB Cc1nccn1Cc1cccc(CNc2nn3cc(-c4ccccc4)nc3s2)c1 40139234 OJPJTFAPRRMBJT-UHFFFAOYSA-N 400.511 4.623 0 40 HJAB C[C@@H](OC(=O)c1[nH]c2ccccc2c1Cl)C(=O)N1CCC[C@@H]1c1cccs1 46350951 YHPTVFCYGXTORX-IUODEOHRSA-N 402.903 4.792 0 40 HJAB Cc1cc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c2nc3n(c2n1)CCCCC3 47123221 XNQFPLKGSZLOIZ-UHFFFAOYSA-N 419.529 4.621 0 40 HJAB CC1CCN(c2nccnc2Oc2ccc(C(=O)NCCc3cccs3)cc2)CC1 49006026 KUMVCRQJOUAPPY-UHFFFAOYSA-N 422.554 4.539 0 40 HJAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099890 VODBFSYMRWNURL-UHFFFAOYSA-N 420.563 4.625 0 40 HJAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1onc(-c2ccc(F)cc2)c1C(=O)O 96297078 SMICRKGMSDEAMG-SNVBAGLBSA-N 403.797 4.715 0 40 HJAB biogenic,in-vitro Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H](c3cccs3)N(c3ccccc3)O[C@H]2C1=O 102724346 BSNNENDIYSJYIY-XUVXKRRUSA-N 424.909 4.761 0 40 HJAB C[C@H](NC(=O)C1CCC(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1)[C@H]1C[C@H]2CC[C@H]1C2 110533997 IOGFZBPTYATEIP-LWCFPIIASA-N 414.634 4.675 0 40 HJAB C[C@H]([C@@H]1CC[C@@H](C)CN1)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924129 IRRHFODGOMSPEE-WZWYYBJESA-N 415.662 4.921 0 40 HJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(I)cc1 222946149 TYPSDYBZULDNCL-INIZCTEOSA-N 409.267 4.704 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 223172803 ROOASSVNXBVFPW-OAQYLSRUSA-N 414.977 4.995 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 223300757 DYJILVUEXRXSQU-QHCPKHFHSA-N 408.586 4.876 0 40 HJAB COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)n2)c1 223342134 MXVTVSVRJYBYCT-QGZVFWFLSA-N 423.513 4.603 0 40 HJAB CCCC[C@H](CC)CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 223464608 DRORETUCNGCYLU-FQEVSTJZSA-N 416.587 4.523 0 40 HJAB COc1ccc(CCNC(=O)c2ccc(OC)c(COc3cccc(C)c3)c2)cc1 224107860 IMNKPDPUDZMWTB-UHFFFAOYSA-N 405.494 4.564 0 40 HJAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)c1 224130506 XKCNMRZWLFSZCR-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB Cc1ccc(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)cc1C 225818550 IUIUJMBUZKQGCZ-UHFFFAOYSA-N 400.276 4.687 0 40 HJAB O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(C[C@@H]2CC=CCC2)C1 247848270 HVAAQCQXBXDJRA-UMFSSWHCSA-N 403.570 4.550 0 40 HJAB CCCCc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(OC)c3)o2)[nH]n1 257199594 AAAZAUMRPMRGBK-QFIPXVFZSA-N 422.529 4.707 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257332542 XXTYRKZRTZMINQ-FQEVSTJZSA-N 414.864 4.800 0 40 HJAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CCC1CCC1)CCOCCO2 643573282 XIXYEZNOPMVPCK-UHFFFAOYSA-N 407.554 4.904 0 40 HJAB CC(C)(C)c1ccc(COC(=O)c2cnn(-c3cccc(Br)c3)c2)cn1 1524106278 RGAQTFWITFNBLR-UHFFFAOYSA-N 414.303 4.684 0 40 HJAB CCOc1ccc(-c2csc3ncn(CC(=O)c4ccc(C)cc4)c(=O)c23)cc1 937689 BVDSDYZIYIXVIZ-UHFFFAOYSA-N 404.491 4.715 0 40 HJAB COc1ccc(-c2cc(-c3nnc(S)n3-c3ccccc3C(F)(F)F)[nH]n2)cc1 1072061 FQRXZPVTIWRBOW-UHFFFAOYSA-N 417.416 4.641 0 40 HJAB COc1ccc(N2C3=[N+](CCCCC3)C[C@@]2(O)c2ccc(Cl)c(Cl)c2)cc1 1744515 ZDJLACGBNDDTIR-OAQYLSRUSA-N 406.333 4.652 0 40 HJAB CC[C@H](C)COC(=O)c1c(N)n([C@H](C)c2ccccc2)c2nc3ccccc3nc12 2220863 PGKNGIDFLQGFTC-JKSUJKDBSA-N 402.498 4.979 0 40 HJAB Cc1ccc(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)cc1Cl 2253465 IMPHHVSTCXWROT-UHFFFAOYSA-N 408.889 4.931 0 40 HJAB O=C(C(Cl)=C(Cl)Cl)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 2383500 UVKXWRWSHQYPPR-UHFFFAOYSA-N 421.111 4.982 0 40 HJAB CCOc1cc(-c2nc3c4c(CC)c(C)sc4ncn3n2)ccc1OC(F)F 2791154 LLPMJVKQFFUEDZ-UHFFFAOYSA-N 404.442 4.877 0 40 HJAB COc1cc2c(cc1OC)[C@@H](COc1cc(C)cc(C)c1)N(C(=O)CC(C)C)CC2 3006472 QMJUTYYQTJHORY-JOCHJYFZSA-N 411.542 4.872 0 40 HJAB O=C(COC(=O)CCSc1ccccc1Cl)Nc1ccccc1OC(F)F 3286070 ZZGVAAAEZHPNJV-UHFFFAOYSA-N 415.845 4.606 0 40 HJAB Cc1cc(C)c(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1C 3323797 GTMNFJAORGXBPL-UHFFFAOYSA-N 412.580 4.774 0 40 HJAB CC(C)Cn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccccc1F 4469197 DPAFCYHTVDQVNV-MAUKXSAKSA-N 404.555 4.527 0 40 HJAB COc1ccc(-c2csc(NC(=O)CSc3ccc(F)cc3)n2)c(OC)c1 4496745 ITYUPNHLJGILIG-UHFFFAOYSA-N 404.488 4.697 0 40 HJAB Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)Nc2ccccc2)c2ccccc2n1C 4734665 ULNNEQHETLXEPJ-RUZDIDTESA-N 409.489 4.671 0 40 HJAB Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 5184724 IKOFHNSCDGVINB-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB C1CCC2(CC1)OC[C@@H]([C@@H]1OC3(CCCCC3)O[C@H]1[C@@H]1COC3(CCCCC3)O1)O2 5214493 WGMZNGZBEGHRHH-TUFLPTIASA-N 422.562 4.582 0 40 HJAB COc1ccc(C2=NN(C(=O)COc3ccccc3Cl)[C@H](c3ccco3)C2)cc1 5862253 KLNJTUYTGDBCKS-IBGZPJMESA-N 410.857 4.698 0 40 HJAB COc1ccc(NC(=O)c2ccc(NC(=O)COc3cccc(Cl)c3)cc2)cc1 6051380 KBHXVNMLZRTGGF-UHFFFAOYSA-N 410.857 4.618 0 40 HJAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 6468961 LWBSXRSUPXCDBI-MRXNPFEDSA-N 401.348 4.539 0 40 HJAB C[C@@H](NC[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(F)cc1 7064423 PAZCSZIUYOMGPJ-WAIKUNEKSA-N 415.455 4.922 0 40 HJAB O=C1CCCN1c1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 7369487 ATJMJCDOQPHSOE-UHFFFAOYSA-N 405.976 4.546 0 40 HJAB CCn1c(SCC(=O)c2c(C)n(CC)c3ccccc23)nnc1-c1ccncc1 7459504 OOBZIAFXJXAQRK-UHFFFAOYSA-N 405.527 4.618 0 40 HJAB O=C(CSc1nnc(NCCc2ccccc2)s1)Nc1ccccc1Cl 8734474 WSXVRNNGTSGBDQ-UHFFFAOYSA-N 404.948 4.577 0 40 HJAB O=C1Nc2ccc(Cl)cc2[C@@]12Oc1ccccc1[C@@H]1CC(c3ccc(F)cc3)=NN12 8798538 SLVBBLSCBBHIBX-NZQKXSOJSA-N 419.843 4.828 0 40 HJAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21 8840733 NWWMEYMGDJPGKP-UHFFFAOYSA-N 408.523 4.720 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1Sc1nc(Cl)cs1 9112333 VKWOSUYRJPKNGL-UHFFFAOYSA-N 404.900 4.971 0 40 HJAB O=C(CCNC(=O)c1ccccc1Cl)Nc1nc(-c2c[nH]c3ccccc23)cs1 9169068 LBAOMIMCLLIZJP-UHFFFAOYSA-N 424.913 4.703 0 40 HJAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)Cc3ccc(Cl)cc3)cc2)cc1 9425890 JLNJSGAKGQDZEL-UHFFFAOYSA-N 422.864 4.836 0 40 HJAB O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc2c(c1)OCO2 10166165 NIAVFQQPILRRRT-UHFFFAOYSA-N 420.412 4.530 0 40 HJAB O=C(Nc1ccccc1)c1nc(SCc2ccccc2)ncc1Br 11916297 BPYLGDYFCIIPIP-UHFFFAOYSA-N 400.301 4.784 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12977759 NGZNHRYRGGYNQA-SXYIGIQMSA-N 400.950 4.794 0 40 HJAB C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 14139245 RKFDHFPSUFILLM-VGOFRKELSA-N 406.526 4.501 0 40 HJAB O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1ccco1 17086728 AAZKBDHXFFFZNH-NRFANRHFSA-N 416.260 4.594 0 40 HJAB COc1ccc(CN2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c(OC)c1 19574881 LVDGQRRNSJYEMK-XVGQJIODSA-N 424.467 4.545 0 40 HJAB Cc1nc[nH]c1CN1CCCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 19577036 MZKTWCWCBPKUQA-BMGDILEWSA-N 410.488 4.585 0 40 HJAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 19694035 PKKMXGNKHDRTLD-GOSISDBHSA-N 412.965 4.759 0 40 HJAB S=C(c1ccc(OCc2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 19842661 SDLSSJKJSGPJRO-UHFFFAOYSA-N 402.563 4.759 0 40 HJAB CCc1nnc2sc(-c3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3)nn12 20609749 DKUFIIBFXUBYGY-UHFFFAOYSA-N 418.309 4.974 0 40 HJAB CC(=O)c1c(C)cc(C)c(CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)c1C 24749676 HXPHIEPPSVZFAV-XMMPIXPASA-N 404.466 4.528 0 40 HJAB CC(=O)NCCc1ccc(C(=O)CSc2nc(-c3ccccc3)cs2)s1 26040277 BYDDANSQASBBRA-UHFFFAOYSA-N 402.566 4.525 0 40 HJAB CCN(CC)[C@H](CNC(=O)COc1ccccc1OC)c1ccc(C(C)(C)C)cc1 28290571 BXIULQLBXIPJOL-OAQYLSRUSA-N 412.574 4.571 0 40 HJAB COC(=O)c1cc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)ccc1Cl 30938832 CGJMZMAWVRWECL-HNNXBMFYSA-N 421.324 4.631 0 40 HJAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccccc1C(F)(F)F)CCCC3 33531175 LXOMTAISWIVTKY-KAMYIIQDSA-N 414.383 4.838 0 40 HJAB COc1cc2cc3c(N)c(C(=O)N4c5ccccc5C[C@H]4C)sc3nc2cc1OC 35288899 CHBQDSVVIVFQCB-GFCCVEGCSA-N 419.506 4.640 0 40 HJAB CCCc1ccc([C@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ncnn23)cc1 36619317 DYLAYFOTNNTACU-HNNXBMFYSA-N 419.916 4.888 0 40 HJAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(Br)cc3F)CC2)c1 39751032 KTLHOPOCWRMBCD-UHFFFAOYSA-N 405.311 4.747 0 40 HJAB O=C(C[C@@H]1C(=O)N(C2CCCCCC2)c2nc3ccccc3n21)Nc1ccccc1F 39964080 VAJJZKQHDWGRQQ-OAQYLSRUSA-N 420.488 4.815 0 40 HJAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1SC[C@H]1CCCO1 40013517 XBDVXWBEOUGWJM-IFMALSPDSA-N 410.583 4.525 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 44855395 QYTYYMPSURVJOR-QFIPXVFZSA-N 410.533 4.765 0 40 HJAB Cc1nnc2sc(-c3ccccc3NC(=O)/C=C/c3ccc(C(C)C)cc3)nn12 57315985 YGKZBKWMAJDBAC-JLHYYAGUSA-N 403.511 4.937 0 40 HJAB O=C(Nc1ccnc(Sc2ccccn2)c1)c1ccc(COCC(F)(F)F)cc1 58159754 GKZMUFXLSIWEMS-UHFFFAOYSA-N 419.428 4.959 0 40 HJAB CC(C)Oc1cccc(CN2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 72398620 YQXYCXVLJBZQTO-URXFXBBRSA-N 423.601 4.984 0 40 HJAB Cc1cccc(N(C(=O)CCOCC(C)C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 78875434 KTBMJTHTDMMXBJ-UHFFFAOYSA-N 418.578 4.790 0 40 HJAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 84093294 KTOJRGPUXZVIHY-UHFFFAOYSA-N 405.454 4.886 0 40 HJAB Oc1cccc(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1 90714767 MIDUJJHWBFKQEM-UHFFFAOYSA-N 404.473 4.886 0 40 HJAB O=C(O)c1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)c1 95067840 QXSFFURZDXELKC-UHFFFAOYSA-N 403.843 4.631 0 40 HJAB Cc1nc2cc(NC(=O)[C@H]3CCC[C@H]3C(=O)Nc3ccc4oc(C)nc4c3)ccc2o1 95441918 OUYUEEKXSORJAM-CALCHBBNSA-N 418.453 4.579 0 40 HJAB CC(C)(C)OC(=O)NC[C@H](NC(=O)CCc1ccncc1)c1ccc2ccccc2c1 95446676 GBUNLCPSLCHYOU-QFIPXVFZSA-N 419.525 4.550 0 40 HJAB CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 95938990 KKHNVUFTBKKQDE-ZDUSSCGKSA-N 401.429 4.569 0 40 HJAB Cc1ccc(N[C@@H]2SC=C(c3ccccc3)N2CCCN2CCOCC2)c(C)c1 102605324 GXACZYQCDNNLBJ-DEOSSOPVSA-N 409.599 4.769 0 40 HJAB CCc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(C)cc4)N(c4ccccc4)O[C@H]3C2=O)cc1 102717594 GRYBUPGQWXZFDB-RBZQAINGSA-N 412.489 4.609 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c(C)c1 216322759 CQTWBDQULUWPAN-IBGZPJMESA-N 422.550 4.904 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223223321 HRUXXTILXQFFQL-QFIPXVFZSA-N 412.549 4.609 0 40 HJAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NC2CCCCCCC2)c1 224125513 BOJXSNFELVWLFE-UHFFFAOYSA-N 414.571 4.663 0 40 HJAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)c1C 224153209 VOIXCAQJXMUEKL-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB CCN(c1ccc(C(=O)Nc2cccc(C)c2C)cc1)S(=O)(=O)c1ccccc1 224355748 SFCSBHASBSBHFJ-UHFFFAOYSA-N 408.523 4.771 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 224578595 ZLVNWZRTVCYODO-JOCHJYFZSA-N 414.977 4.771 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)cc1 224613961 CARFPWCDYZJVBW-KRWDZBQOSA-N 418.990 4.682 0 40 HJAB Cc1cccc(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCCC2)c1 224731806 RZWUCCWPNQWZJL-OAQYLSRUSA-N 406.570 4.712 0 40 HJAB CC(C)Sc1nnc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)s1 225716861 YEDVXUMCPHPBFV-UHFFFAOYSA-N 410.996 4.543 0 40 HJAB Cc1cc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc2sc(N)nc12 226311831 LLIGZVIWYZFIKF-UHFFFAOYSA-N 420.332 4.746 0 40 HJAB O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)N1CCCCC1 408704943 WAPLTOWWKRCXRL-JOCHJYFZSA-N 414.958 4.740 0 40 HJAB O=C1S/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)N1CCCc1ccccc1 409123220 APZXVWJQUKLNMO-LTGZKZEYSA-N 404.491 4.852 0 40 HJAB COc1cc2c(cc1F)CC[C@@H]2NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 512335373 DBBBBJXKAAKFNQ-IBGZPJMESA-N 410.514 4.921 0 40 HJAB Cc1ccc2cc(C(=O)N3CCC[C@H](NC(=O)c4ccc5ccccc5c4)C3)[nH]c2c1 531038937 SIFOVDQZIYXFQM-QFIPXVFZSA-N 411.505 4.664 0 40 HJAB O=C(O)c1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1COc1ccccc1 585266892 ULKUNWDCHJRGHL-FQEVSTJZSA-N 409.873 4.749 0 40 HJAB CC(C)(C)CCN1CCOCCOc2ccc(C(=O)O)cc2Cc2cccc(c2)C1 643583032 HGWALFNWUIKFPO-UHFFFAOYSA-N 411.542 4.623 0 40 HJAB CCOc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3 781895 BUVXVUSITYKHPM-ZDUSSCGKSA-N 413.568 4.946 0 40 HJAB CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@H](c2ccccc2OCc2ccccc2)NC(=O)N1 974503 FAWXECJFJVYKRS-LQNXUBFPSA-N 420.509 4.625 0 40 HJAB CCCc1nc2sc3c(S[C@H](C)C(=O)OC)ncnc3c2c2c1CCCC2 1303224 WPSMKLZVYDCKEJ-LLVKDONJSA-N 401.557 4.724 0 40 HJAB COc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3cccs3)cc2c1 1366823 NBEQMLRBLICSAY-UHFFFAOYSA-N 422.481 4.580 0 40 HJAB CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)nc1-c1ccccc1 3187470 IVINBMPYLZZWSF-UHFFFAOYSA-N 416.886 4.658 0 40 HJAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=S)Nc3cccc(C(F)(F)F)c3)cc12 4225391 QAKQEZQCNKANDM-UHFFFAOYSA-N 419.472 4.693 0 40 HJAB COc1ccc(OC)c(NCc2nn3cc(-c4ccccc4)c4c3n2CCCC4)c1 4303653 FVAXVOIANCWIQR-UHFFFAOYSA-N 402.498 4.768 0 40 HJAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1C1C2CC3CC(C2)CC1C3 4719405 UHWQDCVMMPXUND-ZSFWLSIFSA-N 409.529 4.703 0 40 HJAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NCCc4ccccc4)c(C)c32)c1C 4744386 ITGXVWNPKSFXCQ-UHFFFAOYSA-N 403.478 4.674 0 40 HJAB Cc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)cc1Cl 5304467 WPPVSSIAIBZHCP-UHFFFAOYSA-N 403.869 4.659 0 40 HJAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1 6035399 ZCRAGQPNGXTNJM-LLVKDONJSA-N 413.553 4.776 0 40 HJAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OC)cc1 6356077 JNYWTOKCEHFNNL-AEOXGOBCSA-N 414.303 4.563 0 40 HJAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)C1 6358813 NEQDRWYRWLPCSQ-JEOXALJRSA-N 402.516 4.718 0 40 HJAB Cc1c(CC(=O)Nc2cccnc2)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 6673550 CQPRHIWSHXCRHE-UHFFFAOYSA-N 418.493 4.706 0 40 HJAB CCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1 6752939 UXFBXNXJGQDLAB-QHCPKHFHSA-N 405.498 4.916 0 40 HJAB O=c1c2cccnc2nc(SCc2ccccc2Cl)n1Cc1ccc(F)cc1 6805017 GSQWELZXWWRVMH-UHFFFAOYSA-N 411.889 4.925 0 40 HJAB COc1cccc(-c2cc(OC(=O)c3ccccc3OC)cc3sc(=O)oc23)c1 6809719 HJYQUQKKSIEBIR-UHFFFAOYSA-N 408.431 4.758 0 40 HJAB CCCc1nnc(S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)O)[nH]1 7342342 SQBFPBIDNDVXFL-MOSHPQCFSA-N 418.522 4.978 0 40 HJAB O=C(O)c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 7603916 SDXJQZZSJWBEKJ-UHFFFAOYSA-N 404.029 4.628 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccccc4)o3)cc2)s1 9062095 UPPBNCUXRNWDAQ-UHFFFAOYSA-N 404.451 4.611 0 40 HJAB O=C(NCCSCc1cccc(Cl)c1)C1CCN(Cc2ccccc2F)CC1 9063473 JTPIKGLYAQLZQA-UHFFFAOYSA-N 420.981 4.741 0 40 HJAB C[C@@H](OC(=O)c1cccn1C)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 9630775 PNYYIMQWNGSJHB-SNVBAGLBSA-N 424.309 4.639 0 40 HJAB Cc1sc2nc(CSc3ncc(C(F)(F)F)cc3Cl)[nH]c(=O)c2c1C 9703904 MILDCSUNKDYZHV-UHFFFAOYSA-N 405.854 4.961 0 40 HJAB O=C(c1cc2c(s1)CCC2)N1C[C@H]2CC[C@](O)(c3cccc(C(F)(F)F)c3)[C@H]2C1 12186475 AJCGUGGAYJWJAZ-FNXXIHLHSA-N 421.484 4.625 0 40 HJAB COc1ccc(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)c(OC)c1 12223569 PCMSJDZKVBCTTE-UHFFFAOYSA-N 422.510 4.875 0 40 HJAB COc1ccccc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 12891276 UDOJVDYYJWRAHT-MSOLQXFVSA-N 402.494 4.604 0 40 HJAB O=C(COc1ccc(Cl)cc1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 13004013 BQQBEWAUIQBTKC-UHFFFAOYSA-N 418.280 4.613 0 40 HJAB CC(C)Oc1ccc(CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 13649252 XZWRCZFTBKMTTN-UHFFFAOYSA-N 416.370 4.833 0 40 HJAB CCn1c(SCC(=O)Nc2ccccc2)nnc1[C@@H](C)Oc1ccccc1Cl 13870802 ONDCXBHJTAEJPX-CQSZACIVSA-N 416.934 4.822 0 40 HJAB COc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)c1 14069842 LIMBRJNKDXFKSD-UHFFFAOYSA-N 423.325 4.528 0 40 HJAB CCC[C@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 15310340 WEUQCIONJNMBFM-FCHUYYIVSA-N 408.542 4.642 0 40 HJAB O=C(CSc1nnc2ccccn12)N1c2ccccc2SC[C@@H]1c1ccccc1 16048700 GMHHSVQMYLDXFU-GOSISDBHSA-N 418.547 4.702 0 40 HJAB O=C(NC/C(Br)=C\Br)Nc1c(Cl)cccc1Cl 17002930 XLWKFIOZDRRFQI-GQCTYLIASA-N 402.901 4.746 0 40 HJAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 17089004 LRGHDUKCVGKKNL-QGZVFWFLSA-N 411.571 4.979 0 40 HJAB CC(C)C[C@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]2ON1c1ccccc1 18062802 KAEVMPMHCQRLOG-SCTDSRPQSA-N 419.308 4.718 0 40 HJAB COc1cccc(Cc2ccc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)nc2)c1 19687934 HQCPADKRHJMDFS-DEOSSOPVSA-N 404.485 4.726 0 40 HJAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3cc(C(C)C)n[nH]3)c2)cc1 19691076 HDHAONAMKAEIBK-HSZRJFAPSA-N 404.514 4.889 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCO[C@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19692845 LLVPEQRAYJUSKC-QHCPKHFHSA-N 424.903 4.608 0 40 HJAB CCCCc1ccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1 20063211 LRNMXWNYVNAFNN-UHFFFAOYSA-N 420.534 4.844 0 40 HJAB CC(C)(C)n1nnnc1[C@H](c1cccs1)N(Cc1ccccc1)Cc1cccnc1 20098687 FYBUJFRVPXOOHJ-NRFANRHFSA-N 418.570 4.676 0 40 HJAB O=C1C[C@@H](C(=O)Nc2nc(-c3ccc(F)cc3Cl)cs2)c2ccccc2N1 21898418 RHGHFTOBRHYHEV-CYBMUJFWSA-N 401.850 4.667 0 40 HJAB O=C(c1cc(Cl)ccc1Cl)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 23137283 XFRIHCOCAMVZTR-UHFFFAOYSA-N 422.337 4.668 0 40 HJAB Cc1ccc2nc(NC(=O)[C@H](C)n3nc(C(F)(F)F)c(Cl)c3C)sc2c1 28231225 JTCZPZFDTCWLKA-VIFPVBQESA-N 402.829 4.982 0 40 HJAB COc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1OC 31388890 GIUCGQUZCJTRJE-KRWDZBQOSA-N 424.522 4.640 0 40 HJAB CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccc(C)cc2C)c2cc(Cl)ccc21 32100509 XYZYRZRQSAAHMH-HSZRJFAPSA-N 420.900 4.787 0 40 HJAB O=C(NCCc1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2cccnc2)c1 32827181 JDAPMSWVPZRYLV-UHFFFAOYSA-N 414.292 4.613 0 40 HJAB C=CCOc1ccccc1/C=C1/S/C(=N/c2ccc(Br)cc2)NC1=O 35644811 FLBQIROAUCVFFC-SFQUDFHCSA-N 415.312 4.906 0 40 HJAB C[C@H]1CCc2sc(C(=O)Nc3ccc(-n4cncn4)cc3C(F)(F)F)cc2C1 36394518 UNAXUUOLGYIJRM-NSHDSACASA-N 406.433 4.725 0 40 HJAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccc(CN2CCCCCC2)cc1 38831675 XMKFUIBDHFWQMG-UHFFFAOYSA-N 419.613 4.979 0 40 HJAB O=C(NC1CCN(C(=O)Nc2ccccc2Oc2ccccc2)CC1)c1ccccc1 40099112 SLSSMOLOGZFCMZ-UHFFFAOYSA-N 415.493 4.905 0 40 HJAB CSc1ccccc1CN1CCC(CNC(=O)NCc2ccc(Cl)cc2)CC1 43991730 WFBSVDNACDRSCF-UHFFFAOYSA-N 418.006 4.773 0 40 HJAB Cc1cccc(CN2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccc(C)cc43)CC2)c1 44855224 VFNCRMDPGCTCTQ-QHCPKHFHSA-N 406.570 4.934 0 40 HJAB Cc1cc(-c2cc(C(=O)N[C@H](C)c3ccccn3)c3cnn(C(C)C)c3n2)c(C)o1 48272717 CLPRRBASBBHDTM-OAHLLOKOSA-N 403.486 4.775 0 40 HJAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 48312759 HLKVLLWANYFECA-NRFANRHFSA-N 406.482 4.938 0 40 HJAB CCc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1 57511107 YIKCARSBHNLVIB-UHFFFAOYSA-N 406.486 4.829 0 40 HJAB Cc1cc(C)cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)c1 67292758 PAFBBDBULNEGOU-YXKKDJNZSA-N 410.901 4.844 0 40 HJAB O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 68740915 UKNFITGWTLYKCA-UHFFFAOYSA-N 422.325 4.542 0 40 HJAB Fc1cccc(-c2noc(C3(c4cccc(Br)c4)CCOCC3)n2)c1 71890056 BAUBXPZYWSBMLM-UHFFFAOYSA-N 403.251 4.735 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3nc(C)c(C)s3)n2CC(C)C)cc1 72191982 RJFYRUXSIFNSQW-UHFFFAOYSA-N 415.588 4.714 0 40 HJAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2ccccc2)cc1 79188381 ZXRCVBICVMZDDN-KRWDZBQOSA-N 414.413 4.615 0 40 HJAB biogenic CC(C)(CO)[C@@H](CNC(=O)c1cccc(OCc2cccs2)c1)c1ccccc1 89761823 YPUFJQANYWIEFN-QFIPXVFZSA-N 409.551 4.859 0 40 HJAB O=C(Cc1ccc(Cl)cc1)NC[C@H]1CC[C@H](c2cncn2Cc2cccnc2)CC1 100733679 ALBKCPBKOQEVAO-TYKWCNGQSA-N 422.960 4.613 0 40 HJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118926039 SMCQXKQWSCYFRG-DMQFDWFSSA-N 416.558 4.628 0 40 HJAB CCOc1ccc(Br)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222585687 OADJETGXLHCHPK-UYHISHBKSA-N 418.360 4.832 0 40 HJAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 222979968 LRURYUMARFJVOZ-LSDHHAIUSA-N 402.332 4.973 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 223041958 FGRWPAWOZANLLH-OAQYLSRUSA-N 424.585 4.831 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 223221275 NDZMSPPFOWKRBX-LJQANCHMSA-N 414.977 4.915 0 40 HJAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCCC(C)C)c1ccccc1 223552744 PCYKVTDUPVWOCT-XMMPIXPASA-N 410.558 4.728 0 40 HJAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NC(C)(C)C)cc1 223711511 LPYABPNUTZRVMA-XMMPIXPASA-N 422.613 4.946 0 40 HJAB Cc1ccccc1CN(C(=O)CCSc1ccccc1)[C@H](C)C(=O)NC1CCCC1 223759194 FNVKWFYNGGSYBM-HXUWFJFHSA-N 424.610 4.953 0 40 HJAB Cc1ccc(CN(C(=O)CSc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223807714 ZOWWDOXXNLUWBO-IBGZPJMESA-N 410.583 4.563 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl 224639686 UMRIWHOQNOXIGG-MRXNPFEDSA-N 421.368 4.868 0 40 HJAB COc1ccc(CCNC(=S)Nc2cccc(-c3csc(C)n3)c2)cc1OC 225180121 KHZBSDBOYFHPJW-UHFFFAOYSA-N 413.568 4.665 0 40 HJAB Cc1ccc(SCCCNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 225588788 IIUWRKIWVOTWCS-UHFFFAOYSA-N 413.612 4.899 0 40 HJAB Cc1cc(N2CCCC2)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 225983843 LWCCUDXVCQWFDL-UHFFFAOYSA-N 409.603 4.574 0 40 HJAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1 226355589 XQFNYBXKRACUDW-UHFFFAOYSA-N 414.870 4.733 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)NCC(c3ccccc3)c3ccccc3)CC2=O)cc1C 408706908 DYSVKMPKSGQXME-QHCPKHFHSA-N 412.533 4.605 0 40 HJAB CCOc1cc([C@@H]2NC[C@@H](C(=O)O)S2)ccc1OCc1cccc2ccccc12 408979814 SLIDDRUMJAGKAK-FCHUYYIVSA-N 409.507 4.606 0 40 HJAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408988074 GUJXMPPDJJZJFV-GOSISDBHSA-N 420.296 4.771 0 40 HJAB C[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 409003587 SZKLVQYKAWIGOI-OAOOKAIFSA-N 419.525 4.563 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409028911 TUHQYBMKKRZOQX-GOSISDBHSA-N 424.522 4.581 0 40 HJAB CCOC(=O)c1oc2ccc(S(=O)(=O)N[C@@H](C)c3ccc(CC)cc3)cc2c1C 1621986624 HTHOMPJUYYKGJL-HNNXBMFYSA-N 415.511 4.520 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc(-c3ccc(C(=O)O)c(O)c3)o2)c1 2037873385 GJYYTRRCOIWLLD-FQEVSTJZSA-N 423.465 4.705 0 40 HJAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccccc1Cl 684341 PWUUUTLIPYBAAY-LJQANCHMSA-N 412.902 4.748 0 40 HJAB COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NC(=O)c1ccc(Cl)cc1 796482 YVJPUYQSGHCBPV-UHFFFAOYSA-N 419.868 4.515 0 40 HJAB Cc1cc2cc(CN(C(=S)NCc3ccco3)C3CCCC3)c(=O)[nH]c2cc1C 879019 HMDCICDGAYPRNW-UHFFFAOYSA-N 409.555 4.557 0 40 HJAB O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCc2ccccc2C1 994448 HAABNOIHSDVBOG-UHFFFAOYSA-N 422.410 4.614 0 40 HJAB biogenic,in-vitro Cc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cc4ccc(C)cc4nc3Cl)C2)cc1 1257786 KGKRMUMTIZBGPL-FQEVSTJZSA-N 413.930 4.616 0 40 HJAB Cc1ccc(C(=O)Cc2nn3c(-c4ccccc4)c(-c4ccccc4)nc3nc2O)cc1 1272282 AYZYIXANXUEZHA-UHFFFAOYSA-N 420.472 4.898 0 40 HJAB O=C(CSc1nccn1-c1ccc(F)cc1)Nc1ccc(OC(F)(F)F)cc1 2468234 BESXRVZDFGDZLU-UHFFFAOYSA-N 411.380 4.641 0 40 HJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 2566298 JLYQTAVPLWZAFP-WMTMLEDQSA-N 416.558 4.772 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccn(COc2ccccc2F)n1 2797807 JOUQXAKXNFYJOU-UHFFFAOYSA-N 413.758 4.983 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 3391267 CIIHEFCSVWCZDY-UHFFFAOYSA-N 414.449 4.505 0 40 HJAB CC[C@@]1(C(=O)c2ccccc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)Nc1ccccc1 4694036 OEJZGHBJYQRMAI-MZBJOSPHSA-N 411.457 4.607 0 40 HJAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)NCc1ccc2c(c1)OCO2 4849415 CODLZLIVGJZQMG-UHFFFAOYSA-N 408.523 4.551 0 40 HJAB COc1cccc(-c2nc(-c3ccccc3)c(SCC(=O)NC3CCCC3)[nH]2)c1 4927709 HSHDSMLHMZTFQZ-UHFFFAOYSA-N 407.539 4.903 0 40 HJAB CC[C@@H](C)OC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 5156571 KJXQVXZGKLMETO-CYBMUJFWSA-N 408.889 4.824 0 40 HJAB CCOc1ccccc1NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O 5237469 ILZOARMKKDIGDA-UHFFFAOYSA-N 411.461 4.755 0 40 HJAB COc1ccccc1NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 5633412 TVWHGXYWMOHNLH-XMMPIXPASA-N 416.521 4.607 0 40 HJAB O=C(CSc1ncnc2sccc12)Nc1ccccc1C(=O)c1ccccc1 6115314 SNBFIFXXDUWIAK-UHFFFAOYSA-N 405.504 4.653 0 40 HJAB Cc1ccccc1OCCC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 6654193 ILLDSOQELWZMQW-UHFFFAOYSA-N 411.889 4.659 0 40 HJAB O=C(CCNC(=O)c1ccccc1Cl)Nc1cccc(/C=C/c2ccccn2)c1 6822744 IMONJUBIWYBRAU-VAWYXSNFSA-N 405.885 4.664 0 40 HJAB Cc1cc(C)cc(NC(=O)COC(=O)CCCC(=O)Nc2cccc3ccccc23)c1 7939921 VOJOSKYGAGLEIT-UHFFFAOYSA-N 418.493 4.747 0 40 HJAB Clc1ccc(OCc2nnc3sc(CCc4ccccc4)nn23)c(Cl)c1 10312212 LNQUXEACLFXAFW-UHFFFAOYSA-N 405.310 4.857 0 40 HJAB Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@H](C)Sc4ccccc43)n2)cc1 12594782 SKGQHCDQXQLZJM-HNNXBMFYSA-N 410.568 4.790 0 40 HJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 12920151 ZDUYHAJQUJCVEM-KRWDZBQOSA-N 415.493 4.720 0 40 HJAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1nc(-c2ccsc2)no1 12975849 FJDGIFJVQZPWPJ-UHFFFAOYSA-N 416.524 4.862 0 40 HJAB Cc1ccc(Oc2ccccc2NC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1 13005452 YOYAHNHCNWPJIH-UHFFFAOYSA-N 402.450 4.690 0 40 HJAB Cc1ccccc1N1C(=O)c2ccc(C(=O)N3CCC[C@@H]3Cc3ccccc3)cc2C1=O 13012724 JRUHMELROFFUNE-OAQYLSRUSA-N 424.500 4.643 0 40 HJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 13685570 AITXEYQVCWRCTN-MRXNPFEDSA-N 408.885 4.676 0 40 HJAB CC[C@H](Sc1nc(C)c(Cc2ccc(O)cc2)[nH]1)C(=O)Nc1ccc(Cl)cn1 13945129 NDRRTUPMSVZTKO-KRWDZBQOSA-N 416.934 4.572 0 40 HJAB COc1ccc(OCCCC(=O)NCCSCc2c(F)cccc2Cl)cc1 14400890 RVNKRMZAQAYJQK-UHFFFAOYSA-N 411.926 4.696 0 40 HJAB C[C@@H](C(=O)n1c2ccccc2c2ccccc21)N1CCN(c2ccc(F)cc2)CC1 14608360 QMQKTSUBINLNGL-SFHVURJKSA-N 401.485 4.785 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1-n1cccc1)Nc1cccc(Cl)c1 15882513 VQHYRGUKUSEPIJ-UHFFFAOYSA-N 415.931 4.504 0 40 HJAB COc1ccccc1N1C(=O)/C(=C/Nc2ccc(C(C)=O)cc2)c2ccccc2C1=O 17857351 AFJIAMBFTVSTBA-RCCKNPSSSA-N 412.445 4.538 0 40 HJAB CCc1nc2ccccc2n1C[C@@H](C)C(=O)N[C@H](c1ccncc1)c1cccs1 19523275 QSQYNNAPJALDIQ-OPAMFIHVSA-N 404.539 4.597 0 40 HJAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@@H]2CC23CCC3)C1 19591018 WRIZDQDXJMDHSU-NBGIEHNGSA-N 422.594 4.503 0 40 HJAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@@H]2CC23CCC3)C1 19591019 WRIZDQDXJMDHSU-CPJSRVTESA-N 422.594 4.503 0 40 HJAB COc1ccc(OC)c(CC(=O)N2CCC[C@@H]2c2cc(-c3ccccc3)cc(C)n2)c1 19690606 ZIAAKBYUXLPHBB-XMMPIXPASA-N 416.521 4.980 0 40 HJAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cncc(Br)c1 20143536 QPDMAGCICVMDCU-UHFFFAOYSA-N 407.651 4.502 0 40 HJAB O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCC(c2noc3cc(F)ccc23)CC1 20715180 UAUXRNZOMBPNQZ-NRFANRHFSA-N 411.408 4.593 0 40 HJAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCN(c4ccccc4O)CC3)c2c1 23078882 DWRCYMIUBOZBTC-UHFFFAOYSA-N 423.516 4.878 0 40 HJAB CC(C)c1ccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 24178595 VSOSSXSXJWSPJQ-UHFFFAOYSA-N 405.567 4.892 0 40 HJAB COc1ccc(C(=O)Nc2nonc2-c2ccc(OCC(C)C)cc2)cc1Cl 27664367 YGLPXKZRBFLXNQ-UHFFFAOYSA-N 401.850 4.686 0 40 HJAB Cc1cccc(C(=O)Nc2cc3c(cc2SC2CCCCC2)n(C)c(=O)n3C)c1 28049201 DMTPZMUDMAITQR-UHFFFAOYSA-N 409.555 4.863 0 40 HJAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4ccccc4)nn32)cc1Cl 32095115 XLUQBUDEJBWWTH-MRXNPFEDSA-N 410.861 4.692 0 40 HJAB Cc1ncc(NC(=O)[C@@H](C)Oc2ccccc2)n1-c1nc(-c2ccc(F)cc2)cs1 32615870 WXRLCNUTVOIGAR-CQSZACIVSA-N 422.485 4.849 0 40 HJAB Cc1cccc(/N=C2\S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2C[C@H]2CCCO2)c1 34871653 VHKZJNCTMWJRGE-HILHXIGTSA-N 423.494 4.686 0 40 HJAB Cc1nn2c(ncc3c(=O)n(CCc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 40397603 BKMUGNISIFOPAY-UHFFFAOYSA-N 414.896 4.916 0 40 HJAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@H]2C(=O)Nc1cccc(Cl)c1 49550262 JWBFQYZXVODIAE-KRWDZBQOSA-N 410.861 4.521 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC[C@@H]1c1cccn1C 57481561 WESZFEPIDFFJTJ-ISKFKSNPSA-N 403.526 4.859 0 40 HJAB C[C@H](Nc1ccc(Cl)c(C(N)=O)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 57993640 XMXPJXUBMDVIOG-QMMMGPOBSA-N 420.218 4.550 0 40 HJAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1 59341727 WVQXWTDNLQILMX-UHFFFAOYSA-N 423.310 4.940 0 40 HJAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1CNc1cccc(Br)c1 59457398 CYZXRNKHSWQANR-OVCLIPMQSA-N 407.264 4.694 0 40 HJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(OC)c2OC)cc1 67197132 GSLYBNOVVGWYFI-PXDATVDWSA-N 416.477 4.955 0 40 HJAB Clc1ccc(-c2csc3ncnc(N4CCC[C@H](C5OCCO5)C4)c23)cc1 69222000 UTICNNOEDMGIAS-AWEZNQCLSA-N 401.919 4.601 0 40 HJAB O=C(N[C@H](C(=O)O)c1cc(F)ccc1F)OCC1c2ccccc2-c2ccccc21 95748967 IFRHOKKAJGRVJG-NRFANRHFSA-N 409.388 4.629 0 40 HJAB CC1(C)C[C@@H]2C[C@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)C1 101513900 UAENYAGEVSRORJ-VOWSPCBNSA-N 405.336 4.957 0 40 HJAB CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCC 223199829 VHRSXXGBUIPPJE-HSZRJFAPSA-N 412.549 4.872 0 40 HJAB CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223338694 SSZXUGYLEDVVRT-RUZDIDTESA-N 400.522 4.791 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 223360925 MLBIBSMZWQNJBI-FQEVSTJZSA-N 400.950 4.605 0 40 HJAB CCCC[C@@H](CC)CNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 223462525 SLOGAOCSLAMMRD-HXUWFJFHSA-N 416.587 4.523 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1 223757712 VDRKSQVKAFIGED-FQEVSTJZSA-N 424.610 4.872 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 224074058 NNFXDHLLQZJESA-JOCHJYFZSA-N 414.977 4.649 0 40 HJAB CCc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 224297100 SXRQPVILPPSAPZ-QGZVFWFLSA-N 408.523 4.541 0 40 HJAB CCC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224915602 ZVTFYKVAHYHEPN-QFIPXVFZSA-N 412.961 4.749 0 40 HJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)ccc1Br 224919065 QOBPLMDFZRCGNH-ROUUACIJSA-N 413.344 4.658 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)N[C@H](C)CC)cc1 225411773 PJJSWWTYFPNLKV-WOJBJXKFSA-N 424.585 4.522 0 40 HJAB CCOc1ccc(-c2noc(CNC(=S)Nc3ccc(C(F)(F)F)cc3)n2)cc1 225831644 ZSBGAPOXTVEJHA-UHFFFAOYSA-N 422.432 4.641 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cc2ccccc2o1 408622870 WNPFFTVCMAMGAT-UHFFFAOYSA-N 410.426 4.625 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1CC(C)C 409100410 VVRWXXDHXTZIBD-UHFFFAOYSA-N 408.571 4.818 0 40 HJAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)s1 409227102 XKSGQBLGYZIBPY-OVCLIPMQSA-N 422.325 4.738 0 40 HJAB C[C@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(F)c2ccccc12 551005650 NEQFUZDUDXWFMB-FXAWDEMLSA-N 406.501 4.739 0 40 HJAB OC[C@@]1(NCc2cccc(CC3CCC3)c2)CCc2cc(Br)ccc2C1 1560532829 XGTXKLFPDYCHPX-HSZRJFAPSA-N 414.387 4.801 0 40 HJAB Cc1ccccc1C(=O)N1CCC[C@@](O)(COc2cc(C)c(Cl)c(C)c2)CC1 2037912629 RHHHPSWSOILONE-QHCPKHFHSA-N 401.934 4.701 0 40 HJAB Cc1ccccc1NC(=O)c1sc(NC(=O)C2CCC2)c(C(=O)OC(C)C)c1C 659383 OINSRYZAMXQRSC-UHFFFAOYSA-N 414.527 4.921 0 40 HJAB in-vitro CC(C)c1ccc(OCc2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)o2)cc1 876007 WAQCBRKEWHDOIU-HOTGVXAUSA-N 403.548 4.654 0 40 HJAB O[C@H](Cn1nnc2ccccc21)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 1194661 OPCSKGOWJUXGNZ-HNNXBMFYSA-N 411.292 4.907 0 40 HJAB COc1cccc(CN2C(=O)[C@H](C)N(C(=O)c3c(F)cccc3F)c3ccccc32)c1 1385994 NLHBFPZNWYUTOX-HNNXBMFYSA-N 422.431 4.556 0 40 HJAB CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2095882 INFZQDRIPCCQGG-LJQANCHMSA-N 423.465 4.669 0 40 HJAB biogenic Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1C 2239911 YUPQLNNLZGZNKN-UHFFFAOYSA-N 404.495 4.791 0 40 HJAB CC[C@@H](C)COC(=O)c1c(N)n(-c2cccc(C(C)=O)c2)c2nc3ccccc3nc12 2263855 SCUKMYVETFTHLF-CQSZACIVSA-N 416.481 4.561 0 40 HJAB Cc1ccc2c(c1)C1=C([C@@H](c3ccccc3F)N3N=CNC3=N1)[C@H](c1cccs1)O2 2707238 REPITCNPHAZQEL-YADHBBJMSA-N 416.481 5.000 0 40 HJAB COc1ccc(-c2nsc(SCC(=O)Nc3nc4ccccc4s3)n2)cc1 3007393 RYLZSIGPHBJZQB-UHFFFAOYSA-N 414.537 4.554 0 40 HJAB Cc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1cccc(Cl)c1 4341695 KFBXATCDVKIFNK-UHFFFAOYSA-N 409.902 4.508 0 40 HJAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)s1 4555058 RYYIDFBKKGWTET-QFIPXVFZSA-N 411.910 4.717 0 40 HJAB Cc1ccccc1NC(=O)Cc1nc(COC(=O)/C=C/c2ccc(F)cc2)cs1 4836255 STENWKVUDAKAQN-DHZHZOJOSA-N 410.470 4.528 0 40 HJAB COc1ccccc1NC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C(C)(C)O2 4965769 MGPFRCGEIKTDTN-UHFFFAOYSA-N 416.477 4.652 0 40 HJAB COc1ccccc1OCC(=O)NCCc1sc(-c2ccc(Cl)cc2)nc1C 5136946 WNTXVTUPJADLTD-UHFFFAOYSA-N 416.930 4.518 0 40 HJAB Cc1ccc(OCc2nc3ccccc3n2C[C@H](O)COc2ccccc2C)cc1 5588899 UGJRGTAAXUJQFN-FQEVSTJZSA-N 402.494 4.672 0 40 HJAB Cc1ccc2nc(CSc3nnc(-c4ccncc4)n3Cc3ccccc3)cn2c1 5982319 OQDPKOSUQBWDQS-UHFFFAOYSA-N 412.522 4.637 0 40 HJAB COCCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nc2ccccc21 6567142 ZBLWOAYPAINITM-UHFFFAOYSA-N 410.326 4.720 0 40 HJAB COc1ccc([C@@H](NC(=O)CN2CCSc3ccccc32)c2ccccc2)cc1 7359917 UXBABQYZBQHXPD-DEOSSOPVSA-N 404.535 4.513 0 40 HJAB Cc1ccc(-c2cc(NC(=O)CN(Cc3ccco3)Cc3cccs3)on2)cc1 7581040 OWKIAVBFNFHIEP-UHFFFAOYSA-N 407.495 4.945 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8393758 WHJISASOWATTHJ-FQEVSTJZSA-N 404.466 4.631 0 40 HJAB Cc1c(C(=O)O)sc2nc(CSc3ccccc3)nc(NCc3ccncc3)c12 8721134 BGEDWJOJCMXVGI-UHFFFAOYSA-N 422.535 4.997 0 40 HJAB O=C1CS[C@@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N1c1ccccc1 8856979 BWMSCDACPNHXBQ-QHCPKHFHSA-N 420.921 4.820 0 40 HJAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 8917241 DTNQFIMSNHONIY-QFIPXVFZSA-N 421.493 4.792 0 40 HJAB CCCn1cc(C(=O)Nc2ccc(C)c(Cl)c2)c2nn(-c3ccccc3)c(=O)c-2c1 9661542 YKPKQKJUUKCSQM-UHFFFAOYSA-N 420.900 4.763 0 40 HJAB CSc1cccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(C)c3)n2)c1 9784733 XLDIMFSJYGLEHF-UHFFFAOYSA-N 412.540 4.999 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10445255 QVRMVVGBRSQFOG-AWEZNQCLSA-N 421.324 4.638 0 40 HJAB O=C(COc1ccc(Oc2ccccc2)cc1)NCc1cccc(NC(=O)C2CC2)c1 10580243 GVRITJFFDNQTLT-UHFFFAOYSA-N 416.477 4.523 0 40 HJAB O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(N2CCCC2=O)cc1 11550014 BVUISCHZWDMGQS-UHFFFAOYSA-N 411.811 4.536 0 40 HJAB CC(C)Oc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 12111326 MVPUBKNRMDOYLL-UHFFFAOYSA-N 409.486 4.839 0 40 HJAB CCNC(=O)COc1ccc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc1 12823494 AGXRNJXNTSSFBX-UHFFFAOYSA-N 423.538 4.701 0 40 HJAB Cc1ccc([C@@](O)(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)C(F)(F)F)o1 12856080 WQRDIHSVKHZXOZ-HNNXBMFYSA-N 411.207 4.857 0 40 HJAB CCCOc1c(Cl)cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OC 12904498 UIVJJZVRMALBIJ-UHFFFAOYSA-N 402.882 4.715 0 40 HJAB CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 13669279 ATKMHPXCLGULPT-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cccc(C)c1 14117475 NYHUMKAVPJLYGH-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2C)c1 14154670 YTJWAFZYXBDNKY-UHFFFAOYSA-N 416.587 4.823 0 40 HJAB CCOc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@@H]2c2ccccc2)cc1 15413381 PVWPWIPDSGJIQO-DEOSSOPVSA-N 400.478 4.515 0 40 HJAB C[C@@H](NC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)c1ccccc1 15880681 MPTQFIJXPVPJEV-CYBMUJFWSA-N 414.918 4.860 0 40 HJAB Cc1cccc2c(C(=O)N3CCC(Oc4cccnc4)CC3)cc(-c3ccncc3)nc12 19236712 DIFFTAPOTUYUPS-UHFFFAOYSA-N 424.504 4.684 0 40 HJAB O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3F)CC[C@@H]21 19349221 CIMZCTYXVIONEJ-FUDKSRODSA-N 412.574 4.894 0 40 HJAB CCCC(=O)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19501311 OUXCYJQBFFOLCF-IBGZPJMESA-N 401.514 4.788 0 40 HJAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cccc(Cl)c2)C1 19591710 LNZYDDJYVWVHGE-RUZDIDTESA-N 419.956 4.583 0 40 HJAB COc1ccc(S[C@@H](C)C(=O)NCCSCc2cccc(C)c2)cc1OC 20112252 RWQVCSNLLUBYHJ-INIZCTEOSA-N 405.585 4.542 0 40 HJAB COc1c(C)cc(Br)cc1C(=O)Nc1ccc(-c2ccc(CO)o2)cc1 20352330 RNKFWOIRNYDOQP-UHFFFAOYSA-N 416.271 4.771 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 20457500 ADIBDXYWNLYCOJ-IBGZPJMESA-N 422.550 4.620 0 40 HJAB CCCCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccc(Cl)cc2)c2ccccc21 20745778 TUMPWUVMRHKMNX-HSZRJFAPSA-N 420.900 4.950 0 40 HJAB O=C([C@H]1CCCC[C@H]1c1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 24363070 BSYVLPMHZUTQQB-UXHICEINSA-N 405.567 4.919 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1CCc1ccccc1 24805722 SSHVBORXKZVPBZ-UHFFFAOYSA-N 400.522 4.799 0 40 HJAB CCOC(=O)c1sc2nc(C)nc(Oc3cnc(-c4ccccc4)nc3)c2c1C 31784821 UISLXQYRUPJQNL-UHFFFAOYSA-N 406.467 4.734 0 40 HJAB Cc1ccc(S(=O)(=O)Oc2ccc(C)c3c2C(=O)C[C@H]3C)c(Br)c1 32770735 OHKWCUZNDVAJRR-GFCCVEGCSA-N 409.301 4.524 0 40 HJAB COc1ccc(CCNC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 38667839 BLDDOYUZNMNBTD-UHFFFAOYSA-N 415.946 4.557 0 40 HJAB CC(C)Oc1ccc(CNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 44932237 IJFLMPZVNARIEM-UHFFFAOYSA-N 418.940 4.795 0 40 HJAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cc(Cl)c2c(c1)OCCCO2 48290608 QKDGKYZMOKOTPT-UHFFFAOYSA-N 401.875 4.602 0 40 HJAB Cc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1 57425415 MYQXSUWXKCKJAD-UHFFFAOYSA-N 421.547 4.546 0 40 HJAB Fc1cccc(Cl)c1CN1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 58160789 YUCMYSONUMTFOQ-UHFFFAOYSA-N 424.829 4.763 0 40 HJAB C=Cc1ccc(CSc2ncc3c(n2)-c2ccccc2N(CC)S3(=O)=O)cc1 67260051 KBBHPVSAHLACBH-UHFFFAOYSA-N 409.536 4.608 0 40 HJAB O=C(CSCc1ccccc1)NCC1CCN(c2nc3ccccc3s2)CC1 70931632 IDKULVKWNVYJCX-UHFFFAOYSA-N 411.596 4.562 0 40 HJAB CC[C@H](NC(=O)c1ccccc1)c1nc(-c2cc3cccc(OC)c3oc2=O)cs1 78822972 BGQFFZOHGDZQQZ-KRWDZBQOSA-N 420.490 4.806 0 40 HJAB COc1cccc2cc(C(=O)N3CCO[C@H](c4cc(Cl)cc(Cl)c4)C3)oc12 90613821 PCOKPRCPZJLCED-SFHVURJKSA-N 406.265 4.962 0 40 HJAB Cc1c(C(=O)NCCc2c(F)cccc2F)sc2nc(C(F)(F)F)ccc12 95950721 GDSKHEDZOBZRJL-UHFFFAOYSA-N 400.372 4.874 0 40 HJAB COc1cccc2c1NC(=O)O[C@H]2c1cccc(OC)c1NC(=O)OC(C)(C)C 98174918 WNDJYXHKOYAYHS-GOSISDBHSA-N 400.431 4.702 0 40 HJAB CCOc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 205618060 WPVYDXFAYVCAOB-QNGOZBTKSA-N 406.507 4.865 0 40 HJAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccc(Br)cc1F 222581971 VHWALAZIXCGZJE-UHFFFAOYSA-N 404.214 4.745 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222776642 VCGQVDFRXPPYHF-FQEVSTJZSA-N 408.586 4.822 0 40 HJAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222795990 DNGMLLQNJQLVPL-RTBURBONSA-N 416.472 4.884 0 40 HJAB Fc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223356331 KBVGLQMBPINUDM-YADHBBJMSA-N 418.497 4.777 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 223686642 QEWSMRQQHGBWLS-DEOSSOPVSA-N 424.585 4.714 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 223763039 ZJGVVOLNCIDLMG-GOSISDBHSA-N 414.977 4.949 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c(C)c1 223942032 ZHZPUMIBDZWMLR-LJQANCHMSA-N 422.550 4.904 0 40 HJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 224000857 VIHYKMDORTXYHL-NJTIBFSMSA-N 406.570 4.743 0 40 HJAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(C)ccc3C)c2)c1 224129902 HAENEQQSLXTFAN-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 224168998 XJJOYCDDDVYHIA-HSZRJFAPSA-N 424.585 4.615 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)cc1 224696934 FUHHVWMIXUEYBP-LJQANCHMSA-N 424.560 4.797 0 40 HJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C(C)C)c(OC)c1 224813350 KUZZHXPDAFKWGK-FGZHOGPDSA-N 422.554 4.658 0 40 HJAB CCCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 224867118 RJJYXWLUJOAGOX-XMMPIXPASA-N 406.570 4.794 0 40 HJAB C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCc1ccccc1 224980747 FGLSAPJNDIAOLZ-NRFANRHFSA-N 406.570 4.528 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 225162416 ZEBQOSHNYAHLOC-ROUUACIJSA-N 400.950 4.523 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCSc2ccc(OC)cc2)c1 225803384 BTYHLDZBBUOGLX-UHFFFAOYSA-N 424.975 4.604 0 40 HJAB O=C1CC2(CCN(Cc3ccccc3F)CC2)Oc2ccc(Br)cc21 225822890 CINMAYIUCJSNBR-UHFFFAOYSA-N 404.279 4.588 0 40 HJAB CCCO[C@]1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OCC)c2)CCC[C@@H](C)C1 225854057 UGRGAJDWRVMGCA-UZUQRXQVSA-N 405.535 4.965 0 40 HJAB CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H]2C[C@H]2C)CC1 257270140 MSXYKCKYWVLBFZ-NQIIRXRSSA-N 424.610 4.747 0 40 HJAB COc1c(Br)cc(Br)cc1C(=O)Nc1ccccc1F 408623431 UDNMYWBZXLEGLR-UHFFFAOYSA-N 403.045 4.612 0 40 HJAB CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)c1 408638217 PRUXGYMNABJEBK-UHFFFAOYSA-N 418.478 4.579 0 40 HJAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCC(=O)Nc1cccc2ccccc12 408660668 BUAYNVAYWSKFBJ-UHFFFAOYSA-N 424.884 4.702 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C2CCCCC2)cc1 409004163 OKNHLNCBWNWCKX-UHFFFAOYSA-N 414.571 4.574 0 40 HJAB Cc1cccc(NC(=O)CSCC(=O)N(CC2CCCCC2)c2ccccn2)c1 507975152 PBPIQDOVESNWOB-UHFFFAOYSA-N 411.571 4.675 0 40 HJAB O=C(c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)N1C[C@@H]2CCC[C@H]21 606401514 WLCLLQAAWHWSGW-SWLSCSKDSA-N 418.444 4.639 0 40 HJAB O=C(CCc1cccc(Cl)c1)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1775973628 LHPXKGSWAPLQRC-IRXDYDNUSA-N 422.754 4.626 0 40 HJAB COc1ccc(C(=O)Nc2cscc2S(=O)(=O)c2ccc(Cl)cc2)s1 2037845757 KMTLVOKVUCJPSK-UHFFFAOYSA-N 413.929 4.557 0 40 HJAB CC1(C)C[C@]2(CCCN2C(=O)c2cccc(C(F)(F)F)n2)CN1c1cccc(F)c1 2037988599 ZVVXDILVASWHTJ-OAQYLSRUSA-N 421.438 4.903 0 40 HJAB CCOC(=O)C1=CN(c2ccc(C)cc2)C=C(C(=O)OCC)C1c1ccc(F)cc1 710669 LKKVVYJTNWBUBM-UHFFFAOYSA-N 409.457 4.632 0 40 HJAB CC(=O)c1nn(-c2ccc(Cl)cc2)cc1C(=O)c1ccc(Br)cc1 987946 YBPXQCZSOILEAU-UHFFFAOYSA-N 403.663 4.722 0 40 HJAB COc1ccc(CCC(=O)N(c2nnc(-c3cccnc3)s2)C2CCCC2)cc1 1345624 KHABJWKUGWJLSZ-UHFFFAOYSA-N 408.527 4.517 0 40 HJAB O=C(Nc1ccc(Cl)cc1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 1400105 NDLNRYXUVLVVCH-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB COc1ccc(-c2cc3ccc(OC(=O)c4ccccc4OC)cc3oc2=O)cc1 2130302 FRSIZTJETPDUPR-UHFFFAOYSA-N 402.402 4.696 0 40 HJAB biogenic CC(C)CCNc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1 2435318 DMJZLCKNFASYMG-UHFFFAOYSA-N 404.923 4.542 0 40 HJAB Cc1cccc(-n2nnnc2SCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1 2621281 ZPCJLGLSVZETFY-UHFFFAOYSA-N 409.559 4.948 0 40 HJAB O=C(Nc1ccc(Cl)cc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 3015254 XSPUVQCBSBBEMC-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB O=C(COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)Nc1c(F)cccc1F 3234557 OZKIWLCFZPMCAO-RVDMUPIBSA-N 417.408 4.888 0 40 HJAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nc(-c2ccccc2)cs1 3431317 HIIQVDTXWQSXES-UHFFFAOYSA-N 409.536 4.666 0 40 HJAB COc1ccc(OC)c([C@H]2c3cccn3CCN2C(=S)Nc2ccc(C)cc2)c1 4059444 KLBTVPBXVOKPPA-QFIPXVFZSA-N 407.539 4.616 0 40 HJAB COc1cc(NC(=O)COc2ccc(C)c(C)c2)ccc1NC(=O)c1cccs1 4487836 JHQWIBYXUUEYHL-UHFFFAOYSA-N 410.495 4.643 0 40 HJAB CCOc1cc(C=O)cc(Br)c1OCCOc1cc(C)cc(CC)c1 4502105 NHPMJXZRPAUISZ-UHFFFAOYSA-N 407.304 4.989 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1NC(=O)c2c(sc3c2CC[C@H](C)C3)N1 4543290 MCBSQBXFUYHANF-WLRWDXFRSA-N 412.946 4.875 0 40 HJAB COC(=O)C(C(=O)OC)[C@H](c1ccc(Cl)cc1)[C@@H](C)C(=O)c1ccc(C)cc1C 4694042 KXZKTUCOFABAST-BEFAXECRSA-N 416.901 4.522 0 40 HJAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cccc2cccnc12 4893707 GAUMHFVRBYEQAU-SNDHGLFQSA-N 402.453 4.631 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1OCC 5136365 BLEOKIDPLGTZOX-UHFFFAOYSA-N 410.514 4.672 0 40 HJAB CCOC(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)C1 5146943 SHIKPRWFTKTCPG-KRWDZBQOSA-N 401.466 4.823 0 40 HJAB Cc1ccc(NC(=S)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1C 5894101 TYYLYOPEXOMLLM-UHFFFAOYSA-N 417.600 4.677 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)cc1Cl 6241907 BBGHGHHBKDILEX-UHFFFAOYSA-N 422.356 4.786 0 40 HJAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1ccc2ccccc2c1 6647906 CECZTZVRGTXQMZ-UHFFFAOYSA-N 403.294 4.920 0 40 HJAB CN(Cc1ccccc1)C(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 6759417 AMCVOTITKUZUKX-OALUTQOASA-N 414.431 4.816 0 40 HJAB Cc1ccsc1CN(C)C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 7327726 PXIVHAPXRJGRMU-UHFFFAOYSA-N 416.547 4.540 0 40 HJAB CCN(C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1C)C1=CCCC1 7736397 VTSBRHYAMGVMRL-UHFFFAOYSA-N 419.554 4.646 0 40 HJAB CCC[C@@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 7777480 MPPYNYYZFKWOLL-JOCHJYFZSA-N 402.494 4.975 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(Cl)nc1)CC2 7979641 ZEFMUUNNEKYTRB-HXUWFJFHSA-N 414.914 4.602 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cccc(C)c3C)ccc2C)cc1 10364617 LAKDFZPKJAZPGU-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1ccc(F)cc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21 10433572 UAZASZLGFWJJQS-UHFFFAOYSA-N 421.859 4.803 0 40 HJAB Cc1cccc(-n2nnnc2S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1C 12805498 OUQDMXZTNVZUOT-GFCCVEGCSA-N 422.341 4.705 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3)C2)c2ccccc12 12994815 XMIRTVGWUYCFAT-INIZCTEOSA-N 422.912 4.993 0 40 HJAB COc1cccc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)(C)C)c1OC 13957885 YSQWYPHOEZYVJU-UHFFFAOYSA-N 409.486 4.503 0 40 HJAB O=C1Cc2cc(C(=O)CSc3nnc(-c4ccco4)n3C3CCCCC3)ccc2N1 14141892 KUNAQQQJAPNBMX-UHFFFAOYSA-N 422.510 4.513 0 40 HJAB COC(=O)c1ccc(CSc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 16194188 JNUYZQBPSOSJDD-UHFFFAOYSA-N 409.488 4.995 0 40 HJAB CC(C)(C)c1cc2nc(C3CCN(C(=O)C4CCC4)CC3)cc(C(F)(F)F)n2n1 19084197 NHLOJFNLKGFKDX-UHFFFAOYSA-N 408.468 4.552 0 40 HJAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20153721 YTAAFMGUMJQVQE-IZZDOVSWSA-N 412.898 4.619 0 40 HJAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(F)cc2)N2CCOCC2)c1C 20192418 VOERIMOXOGHAAZ-FQEVSTJZSA-N 414.502 4.771 0 40 HJAB Cc1nccn1-c1ccc(CNC(=O)CSCc2c(F)cccc2Cl)cc1 20456353 ALWIYSNEHWUGAI-UHFFFAOYSA-N 403.910 4.523 0 40 HJAB CN(C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)C1CCCCC1 22508896 VKGKXJUIDHDKPB-XMMPIXPASA-N 408.567 4.866 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)cc1 23127017 UHENSAWBSFSMLU-UHFFFAOYSA-N 421.547 4.701 0 40 HJAB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(OCc2ccncc2)cc1 27585166 RRTDOITVXGAKKW-UHFFFAOYSA-N 401.491 4.960 0 40 HJAB COc1ccccc1O[C@H](C)C(=O)Nc1cc(-c2ccc(Br)cc2)no1 27793716 JREIQDXFILSMLT-GFCCVEGCSA-N 417.259 4.519 0 40 HJAB COC(=O)C1=C(C)Nc2nc(=S)[nH]c(O)c2[C@@H]1c1cccc(Oc2ccccc2)c1 28465919 PLZMFYDJWTWAOA-QGZVFWFLSA-N 421.478 4.641 0 40 HJAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(NC(=O)NC2CC2)c1 32924509 DSXUZARJSLOCPB-NSHDSACASA-N 408.285 4.683 0 40 HJAB O=C(CSc1ncnc2c1[nH]c1ccccc12)Nc1ccccc1Br 33172407 MHUWLFYWPBPUMV-UHFFFAOYSA-N 413.300 4.604 0 40 HJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 44901470 HBCDFSATXXNFGV-QFIPXVFZSA-N 406.482 4.623 0 40 HJAB COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c(OC)c1 46078467 RCEFYESFDWAKFZ-UHFFFAOYSA-N 416.477 4.549 0 40 HJAB Cn1c([C@@H](NC(=O)CCc2c[nH]c3ccccc23)c2ccccc2)nc2ccccc21 48344065 YHKOQBIXJRTHJT-VWLOTQADSA-N 408.505 4.893 0 40 HJAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1 57851666 DNZBQQRNHBAHEI-ZDUSSCGKSA-N 412.748 4.796 0 40 HJAB O=C(c1ccc2c(O)[nH]c(=S)nc2c1)N(Cc1c(F)cccc1Cl)C1CC1 63809218 XMEPSLZGJVZJGC-UHFFFAOYSA-N 403.866 4.595 0 40 HJAB COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)cc1 67293159 YUNKRTOWDBHDGQ-LVWGJNHUSA-N 408.841 4.850 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2)cc1 95482252 RFVQESKJBMJANU-QGZVFWFLSA-N 407.514 4.768 0 40 HJAB Cc1nc(N)sc1-c1ccnc(C(C)(C)c2ccc(OCCCN(C)C)cc2)c1 95629727 NYZYJRMOQXQXLS-UHFFFAOYSA-N 410.587 4.752 0 40 HJAB Cc1ccc(NC(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)c(F)c1 96037681 VSZKMHPYPAWKNF-UHFFFAOYSA-N 419.504 4.655 0 40 HJAB CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCC)nn32)ccc1O 102661417 HEUVIMOXGDTZIZ-GOSISDBHSA-N 414.531 4.802 0 40 HJAB COc1ccc(O)c([C@H]2CC(c3c(O)oc(C)cc3=O)=Nc3ccccc3S2)c1 138083910 SGURJIKSHABTSU-HXUWFJFHSA-N 409.463 4.726 0 40 HJAB CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cc(C)ccc1C)S(C)(=O)=O 220543539 IAUNGWDIGDSKTA-FQEVSTJZSA-N 416.587 4.919 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl 224082251 ZZLDNYHODGWIDH-MRXNPFEDSA-N 418.940 4.744 0 40 HJAB CCc1ccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 224306061 NSGGEZJUVOUJGG-UHFFFAOYSA-N 422.550 4.943 0 40 HJAB Cc1ccc(CN2CCC(C(=O)NCCOc3ccc(C(C)(C)C)cc3)CC2)cc1 224531689 KLNPFDFSEIPRAA-UHFFFAOYSA-N 408.586 4.700 0 40 HJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1CN1CCCCC1 224832093 YGAOENBGKKUDBP-HXUWFJFHSA-N 402.538 4.909 0 40 HJAB COc1cc(CNC(=S)Nc2cccc(Br)c2)ccc1OC(C)C 225530345 XCZFKRFHFJSFMP-UHFFFAOYSA-N 409.349 4.732 0 40 HJAB Cc1ncsc1C(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257201900 AJOLGNNXNONIFK-HNNXBMFYSA-N 401.919 4.704 0 40 HJAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)[C@H]2C[C@H]2C)CC1 257254042 KBILIJHDADNRNL-YKSBVNFPSA-N 418.581 4.605 0 40 HJAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H](C)c3ccccc3)CC2)on1 257267501 MHOGDKBKGRCYRF-QWFCFKBJSA-N 406.530 4.577 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)CCc3ccccc3)CC2)on1 257314524 UXJSSIRYWQLINF-MEMLXQNLSA-N 418.541 4.771 0 40 HJAB COC1(C(=O)Nc2ccc(OCCCN3CCC[C@H](C)C3)cc2)CCCCCC1 260816906 RVSBWLFEKMIUQC-FQEVSTJZSA-N 402.579 4.865 0 40 HJAB CCOc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)c1cccc(C)c1 408838733 HQLWQMKASZWOQP-QGOAFFKASA-N 417.417 4.550 0 40 HJAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3n[nH]c4ccccc34)o2)c1 1848353973 VWUQBQDZZPJOLO-OAQYLSRUSA-N 416.481 4.518 0 40 HJAB Cc1cc(C)cc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1 835252 HIZHIPJOENKCDX-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB Cc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1-c1ccccc1 897364 QJTZWPHEYDTKEL-UHFFFAOYSA-N 400.507 4.974 0 40 HJAB Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc5c(s4)CCCC5)n3c2c1 903086 PUYIOIRZWDUOMB-UHFFFAOYSA-N 423.567 4.565 0 40 HJAB Cc1cccc(C)c1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccco1 1379922 HSDWKRSWBRKFNX-QFIPXVFZSA-N 406.482 4.936 0 40 HJAB CCOCc1cc(Cc2cc(COCC)c3cccnc3c2O)c(O)c2ncccc12 1717599 UITRSGMVYWUSJG-UHFFFAOYSA-N 418.493 4.858 0 40 HJAB Cc1c(OCC(=O)c2c(C)n(C)c3ccccc23)ccc2c3c(c(=O)oc12)CCC3 2150226 WRYJSWJIEQERNO-UHFFFAOYSA-N 401.462 4.652 0 40 HJAB biogenic Cc1ccc(Sc2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)o2)cc1 3659052 WOKKOWWSVFFIHL-XDHOZWIPSA-N 408.454 4.971 0 40 HJAB O=C(c1ccc2ccccc2c1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 5182115 XHZZNVWKDJPSCP-UHFFFAOYSA-N 409.461 4.690 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccn(Cc2ccccc2Cl)c1=O 5269847 JUYAXLNBSWHGNS-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB O=C(NCc1nnc2c3ccccc3c(-c3ccc(Cl)cc3)nn12)C1CCCCC1 5305865 GVOVDTXDXSRLIC-UHFFFAOYSA-N 419.916 4.794 0 40 HJAB Cc1ccc(-c2noc(CCCCCNC(=O)COc3ccc(Cl)cc3)n2)cc1 6551121 QIKPBASERPLJQF-UHFFFAOYSA-N 413.905 4.606 0 40 HJAB CCOc1ccccc1-c1noc(CSc2nnc(C)n2-c2ccc(C)c(C)c2)n1 6713148 FIZPIJRGGIDBPK-UHFFFAOYSA-N 421.526 4.934 0 40 HJAB Cc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1 6867279 RGLAQNITRMSRPJ-UHFFFAOYSA-N 421.566 4.693 0 40 HJAB Cc1nc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c2c3c(sc2n1)CCCC3 6881458 YETQJRDWNSVIMZ-KRWDZBQOSA-N 407.539 4.991 0 40 HJAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2C)s1 7988256 GEWCUOYEHLRRDZ-UHFFFAOYSA-N 400.529 4.720 0 40 HJAB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Oc2ccccc2F)ccc1C 8040217 FEFPLYHPPKOMIR-UHFFFAOYSA-N 413.470 4.569 0 40 HJAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3cccc(Br)c3)ccc21 9137656 SSPQTWWSMRZLMR-UHFFFAOYSA-N 401.304 4.637 0 40 HJAB COc1ccccc1C(=O)NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1 9360189 HKORAXLLCAXMBK-UHFFFAOYSA-N 403.916 4.599 0 40 HJAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nnc(-c2ccccc2Cl)o1 9986485 SRMOCBHDQZXKLI-SNVBAGLBSA-N 419.856 4.672 0 40 HJAB Cc1cccc(N(Cc2ccc(C(=O)Nc3cccc(C)c3C)cc2)S(C)(=O)=O)c1 10338717 LULKJDOMBWUHSX-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB C[C@@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 11127236 DXUOGQPWZTVLHA-MRVPVSSYSA-N 407.722 4.821 0 40 HJAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2)c1ccc(Cl)c(Cl)c1 11695803 ZWYVGECQUSUWKH-UHFFFAOYSA-N 412.276 4.844 0 40 HJAB CCn1/c(=N\C(=O)c2nc3ccccc3s2)sc2cc(Br)ccc21 12180847 WCEPPWRTVHGEBA-LVZFUZTISA-N 418.341 4.836 0 40 HJAB CC(C)C[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1 12885344 JEFIPODFFFCMGK-XIQMRYHBSA-N 404.554 4.842 0 40 HJAB Cc1sc2nc([C@@H](C)OC(=O)Cc3coc4cc5c(cc34)CCC5)[nH]c(=O)c2c1C 13108358 HXRLDECXQUMKNR-GFCCVEGCSA-N 422.506 4.683 0 40 HJAB COc1ccc([C@@H]2C(=O)N(c3ccccc3F)CC(=O)N2c2ccc(C)cc2C)cc1 15412261 AQWNZZHTGJWCTR-XMMPIXPASA-N 418.468 4.572 0 40 HJAB COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c(F)c1F 17090989 BIRNZEBRIBKWOU-UHFFFAOYSA-N 417.318 4.707 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cc1coc2cc3c(cc12)CCC3 19617857 TWINTJSQTKJAQE-UHFFFAOYSA-N 413.521 4.925 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(OCC(=O)O)c2)cc1 20158219 YZLQJXKSMCERAI-UHFFFAOYSA-N 402.406 4.519 0 40 HJAB Cc1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(F)cc2)c1 20449433 YNVOXTTYEFIQJD-INIZCTEOSA-N 424.497 4.526 0 40 HJAB CCCn1nnnc1NCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl 22111632 RPZQUTRBEXLNLK-UHFFFAOYSA-N 422.316 4.590 0 40 HJAB Cc1cccc(N2CCN(C(=O)c3sc(N(C)c4ccccc4)nc3C)CC2)c1C 22245554 YNQGOZLWXSIGEU-UHFFFAOYSA-N 420.582 4.799 0 40 HJAB COc1ccc(CN2C(=O)/C(=C\N[C@@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3C2=O)cc1 23295879 OBOIWTUNSQCWPD-MGXVVPFJSA-N 418.537 4.633 0 40 HJAB C[C@H](NCc1ccc(OCCO)cc1Br)c1cccc2ccccc12 25105833 IKOGHCAGSHKPTK-HNNXBMFYSA-N 400.316 4.824 0 40 HJAB C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1cccc(C(F)(F)F)c1 27974839 DAXDOOADMWBXAS-LLVKDONJSA-N 402.210 4.552 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)Cc2csc(-c3ccccc3)n2)cc1OC 32895135 KSFOGOHOUCZKIO-LJQANCHMSA-N 408.523 4.734 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2C)c1 33635079 QFCHFDPKDQFDRO-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1ccc(C)c(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 38833420 WDKXQGMESQESCM-UHFFFAOYSA-N 401.348 4.917 0 40 HJAB C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1C(=O)CCn1cncn1 54816870 YFEZFXMLIBZAPQ-MAUKXSAKSA-N 419.916 4.538 0 40 HJAB CCN(Cc1ccccc1)[C@@H](c1ccccc1OC)c1nnnn1C1CCCCC1 57710466 XIYBHWUNSIZQCQ-QHCPKHFHSA-N 405.546 4.798 0 40 HJAB Cc1noc(CCCC(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)n1 58377563 HICDYOURESTXIQ-UHFFFAOYSA-N 420.351 4.525 0 40 HJAB Cc1c(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)nnn1-c1ccc(F)cc1 58406562 CRMKHQNWZXVFET-UHFFFAOYSA-N 410.836 4.558 0 40 HJAB CCOc1cc(C(=O)NCCCN2CCCC[C@H]2C)cc(-c2ccccc2)c1OC 70004430 XWAZZVMDFMCIDB-LJQANCHMSA-N 410.558 4.755 0 40 HJAB COc1cccc(C[C@H](C)CC(=O)Cc2ccc(I)cc2)c1 71405975 OXJHNCLEDSIAAR-AWEZNQCLSA-N 408.279 4.680 0 40 HJAB CC(C)(C)CN(C[C@H](O)c1ccccc1)C(=O)Nc1ccc(Cn2cccn2)cc1 72313623 JJJMAIZAIARPPE-QFIPXVFZSA-N 406.530 4.545 0 40 HJAB COc1cccc(Cc2cccc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)n2)c1 72357988 RMPOIUNZLSLHBQ-DEOSSOPVSA-N 404.485 4.726 0 40 HJAB O=C(COc1ccccc1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359480 WQDLCKLONAXIMA-SFHVURJKSA-N 407.901 4.582 0 40 HJAB Cc1cc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn34)n2)ccn1 96155435 XIBMMMSKVBFXKN-UHFFFAOYSA-N 411.440 4.887 0 40 HJAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1cccc(Br)c1 101084914 JGDVKQMHMMKLEM-BEFAXECRSA-N 403.276 4.617 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 223577469 WEWHXPWEYYMXOV-FQEVSTJZSA-N 408.586 4.779 0 40 HJAB Cc1c(Br)cnc(NC(=S)NC2CCCCC2)c1Br 224037561 HCFLOIYDCJENAU-UHFFFAOYSA-N 407.175 4.534 0 40 HJAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 224423712 YSPIURSTILCELQ-FGZHOGPDSA-N 415.497 4.584 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 225172429 VVWLLBDYJGFYGJ-IRXDYDNUSA-N 418.990 4.764 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 225186354 LYHLOZQDBXVCOS-XMMPIXPASA-N 424.585 4.831 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)NCC(C)C 225340637 NMCCRNSOIOAEGC-HSZRJFAPSA-N 408.542 4.747 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225676689 MPIAWOZZKIDCGA-HNNXBMFYSA-N 410.857 4.662 0 40 HJAB COc1c(Cl)cc(C(=O)Nc2cc(Cl)c3nc(NN)sc3c2)cc1Cl 226311470 YIHBKYMPXPFEMJ-UHFFFAOYSA-N 417.705 4.803 0 40 HJAB COCCC(=O)N[C@@]1(C)C[C@H](c2ccc(C(F)(F)F)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257273217 NFSOULHMLHSPPH-LUXPHIFBSA-N 413.480 4.883 0 40 HJAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1Cl 260888409 NFBGSJSNVXREAX-KRWDZBQOSA-N 400.950 4.689 0 40 HJAB Cc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1NC(=O)c1ccccc1 408606068 LIARSTPTAFHITD-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCc1nnc(S/C(=C\c2ccc(-c3cccc(Br)c3)o2)C(=O)O)o1 408630483 AEVXMAXVIHXLDE-ZROIWOOFSA-N 421.272 4.872 0 40 HJAB Cc1c(Br)ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1C 408644912 TZZYXZLDEOKRRI-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB CC(C)CC(=O)N[C@H](C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 518962536 ZMALOCZYHQOJNI-KKSFZXQISA-N 420.475 4.656 0 40 HJAB O=C(CCCCC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3)N1CC2C[C@H]3CC1C[C@@H](C2)C3 521537763 IHSJNVUIFOAEGU-SUJIRDHKSA-N 412.618 4.621 0 40 HJAB O=C(Cc1cc(F)cc(F)c1)N1CCC[C@]2(CCCN2Cc2ccc(F)cc2)CC1 585100420 UWTCQTCSJNFMHY-DEOSSOPVSA-N 416.487 4.694 0 40 HJAB CC(C)(CNC(=O)N[C@H]1COc2c(F)cc(F)cc2C1)c1ccc2ccccc2c1 1565165702 VHEUHXTZLMEVIZ-HXUWFJFHSA-N 410.464 4.699 0 40 HJAB Cc1cnc(Nc2cccc([C@H]3CN(Cc4cn(C)c5ccccc45)CCO3)n2)s1 2037834508 LWNRZCVWQRZVOS-OAQYLSRUSA-N 419.554 4.655 0 40 HJAB Cc1ccc(S(=O)(=O)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCC2)cc1 923257 LGIJJJLJICVGIQ-UHFFFAOYSA-N 424.566 4.587 0 40 HJAB Cc1ccc(-c2nnn([C@H](C)C(=O)N3c4ccccc4CCc4ccccc43)n2)cc1 932083 VPCCNAJQAUVEMF-GOSISDBHSA-N 409.493 4.673 0 40 HJAB CC(C)n1c2ccccc2c2nnc(SCC(=O)N3CCCc4ccccc43)nc21 1426551 LIHZIHSXTYXUNY-UHFFFAOYSA-N 417.538 4.632 0 40 HJAB COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cccc(OC)c4)coc3c2)cc1 1448036 PIRFTSVHXOHNNJ-UHFFFAOYSA-N 418.401 4.822 0 40 HJAB biogenic CCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 2088167 KPRPUMOJEZXLMR-OCCSQVGLSA-N 421.250 4.990 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 2664435 SHRNIMXHHAYBSS-IZZDOVSWSA-N 401.488 4.630 0 40 HJAB O=C1CN(C(=O)c2cccc(Cl)c2)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2724738 IFRRIIIMABOPCS-NRFANRHFSA-N 412.823 4.802 0 40 HJAB Cc1ccc(C(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)cc1C 4374666 VMQHAARQNIPVKP-UHFFFAOYSA-N 410.930 4.701 0 40 HJAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccccn2)nc2ccccc12 4863385 LSOIQFQNLHWNNY-UHFFFAOYSA-N 422.532 4.691 0 40 HJAB COC(=O)c1cccc(NC(=O)c2sc3nc4cc5c(cc4cc3c2N)CCC5)c1 4929916 VJJXMWNIFRIVCI-UHFFFAOYSA-N 417.490 4.559 0 40 HJAB COc1ccccc1/C=C(/C(=O)OCC(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccccc1 4995832 CXELLKOVNDDUSA-BZUUXEPJSA-N 407.510 4.569 0 40 HJAB CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)cc1 5157942 YGEBWKAOIPRCLU-HXUWFJFHSA-N 411.885 4.807 0 40 HJAB CCOc1ccc(OCCSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)cc1 5967566 HVZKUKGTQCERTG-UHFFFAOYSA-N 405.907 4.704 0 40 HJAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc2ncsc2c1 6083508 BGOWTAPBKQQFGO-UHFFFAOYSA-N 406.536 4.563 0 40 HJAB COc1cccc(NC(=O)COc2ccc(Cl)cc2C(=O)Nc2ccccc2)c1 6126926 IQFCJAALTPAYCJ-UHFFFAOYSA-N 410.857 4.618 0 40 HJAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c(C)n1C1CC1 6532136 IXYCLHXPKKATKJ-UHFFFAOYSA-N 406.555 4.932 0 40 HJAB COCCn1c(C)cc(C(=O)COc2ncnc3sc(-c4ccccc4)cc23)c1C 6947758 JKDCKRYYSGDLJI-UHFFFAOYSA-N 421.522 4.685 0 40 HJAB Cc1cccc(N2C(=O)CS[C@]23C(=O)N(Cc2ccc(F)cc2)c2ccccc23)c1 6997142 TZFQDCJBRVZIBX-XMMPIXPASA-N 418.493 4.614 0 40 HJAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2OC(F)F)cc1 7016180 PBXJMCWCRWOBOC-UHFFFAOYSA-N 402.397 4.653 0 40 HJAB CN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1Br 7211771 OHYLIVAPLXUPFL-UHFFFAOYSA-N 416.340 4.859 0 40 HJAB COc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(F)cc1 7637589 OJNQXWNQFCKZKX-UHFFFAOYSA-N 422.456 4.721 0 40 HJAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)NC(c1ccccc1)c1ccccc1 7903769 WVKCVRNMXDVJEK-MRXNPFEDSA-N 418.566 4.877 0 40 HJAB CCOC(=O)c1ccc(N[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)cc1 8160500 QHGRZNGFTAQBAZ-JOCHJYFZSA-N 404.466 4.664 0 40 HJAB Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc3c(cc12)N1CCC3CC1 8763209 ZHHYQZTVJBKHSV-UHFFFAOYSA-N 418.444 4.847 0 40 HJAB O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 9048261 RMYATVOSYYIBBE-YOEHRIQHSA-N 412.820 4.567 0 40 HJAB Cc1nc(-c2ccc(NC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)cs1 9114569 MGGVBGLYTQXCDI-HNAYVOBHSA-N 405.523 4.667 0 40 HJAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(F)cc1)N1C(=N2)C(O)=Nc2ccccc21 9462809 OCPZEXJEQMGQOI-OAQYLSRUSA-N 424.439 4.956 0 40 HJAB Clc1cc2c(cc1CSc1nccc(-c3ccc4c(c3)OCO4)n1)OCO2 9970608 KNNPERZUDGLMRP-UHFFFAOYSA-N 400.843 4.547 0 40 HJAB Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccccn1)O2 10215181 YYXLTFWWXAOFCJ-AVRDEDQJSA-N 405.841 4.706 0 40 HJAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3cccc4ccccc34)ccc21 12033895 UBJIUFNCLGDBEL-UHFFFAOYSA-N 408.523 4.585 0 40 HJAB Cc1nc(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)n(C[C@@H]2CCCO2)c1C 12520002 SJNVZLUUEWSWLQ-LEWJYISDSA-N 413.587 4.525 0 40 HJAB Cc1nc(S[C@@H](C)C(=O)c2ccc(Br)cc2)n(C[C@H]2CCCO2)c1C 12603404 KZBYGVJVWHGZQE-WMLDXEAASA-N 423.376 4.805 0 40 HJAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1cccc(NC(=O)[C@H]2CCCO2)c1 12742944 IVEKFTXKOVIUJF-CTNGQTDRSA-N 424.497 4.524 0 40 HJAB CN(C(=O)CSCC(=O)Nc1ccccc1Oc1ccccc1)C1CCCCC1 12811808 MUATXBZRFAJGEP-UHFFFAOYSA-N 412.555 4.942 0 40 HJAB C[C@H](Sc1nnc(Cc2cccs2)n1C)C(=O)c1ccc(Br)cc1 13120832 KOQXBZPYQGSMKW-NSHDSACASA-N 422.373 4.593 0 40 HJAB COc1cc(OC)cc(-c2cc(NC(=S)Nc3cccc(Cl)c3C)[nH]n2)c1 13535335 XWJOKPCELXYCEU-UHFFFAOYSA-N 402.907 4.865 0 40 HJAB O=C(NCc1ccco1)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 14837128 RXUSWCXJWCJOLR-UHFFFAOYSA-N 410.473 4.980 0 40 HJAB Cc1ccc(F)cc1NC(=O)CSc1nccn2nc(-c3ccc(F)cc3)cc12 16841454 HRUMKBIUNJWZAV-UHFFFAOYSA-N 410.449 4.714 0 40 HJAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3cc(C4CC4)on3)on2)cc1 19558066 PSHQJRGKXIEEPP-FQEVSTJZSA-N 407.470 4.973 0 40 HJAB Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)Cc4ccccc4F)CC3)noc2n1 19569063 JMRFDJYEKARZKF-UHFFFAOYSA-N 421.394 4.638 0 40 HJAB CCOc1ccccc1Cc1ccc([C@H]2CCCN(C(=O)c3oc(C)nc3C)C2)nc1 19690321 NIVWBINFYTVRIU-NRFANRHFSA-N 419.525 4.696 0 40 HJAB CC[C@@H](C(=O)Nc1ccc(F)cc1)n1nc(-c2ccc(C)cc2)c2c(c1=O)CCCC2 20095431 NMKOMEHCITWAQG-QFIPXVFZSA-N 419.500 4.826 0 40 HJAB CN(c1ccc(C(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc2ccccc2c1 20219929 REQTYIVHWMUZCG-UHFFFAOYSA-N 401.487 4.896 0 40 HJAB O=C(Cn1c(-c2cccnc2)nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 23144122 CAVKUZRYRUXGRH-UHFFFAOYSA-N 412.371 4.636 0 40 HJAB O=C(NCC1(c2ccccc2)CCC1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 24528011 JRQLRCNYZNGOGG-UHFFFAOYSA-N 417.475 4.555 0 40 HJAB CC(C)COc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 27583876 LWYWXRZXOSOPAO-QFIPXVFZSA-N 400.950 4.942 0 40 HJAB Cc1ccc(Nc2ccccc2NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 28808119 DWMSJBYICMHACI-UHFFFAOYSA-N 421.522 4.666 0 40 HJAB Cc1cc(OCC(=O)NCc2ccc(OC(C)C)cc2)cc(C)c1Br 30855807 ZGDFXSONPBLNIC-UHFFFAOYSA-N 406.320 4.548 0 40 HJAB Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4cccc5ccccc45)C3=O)co2)cc1 31632944 QQVRDVILRCTNOJ-VWLOTQADSA-N 411.461 4.770 0 40 HJAB CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3nc4ccccc4n3C(F)F)C2=O)cc1 31749386 NUYRBYQIYKVVJU-QFIPXVFZSA-N 412.440 4.522 0 40 HJAB COc1ccc2nc(NC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)sc2c1 32674465 ROPBXSUCEOXDKW-UHFFFAOYSA-N 407.499 4.760 0 40 HJAB COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2cc(-c3ccc(F)cc3)nn12 36615711 MLEXLGDJXVNABA-UHFFFAOYSA-N 413.355 4.590 0 40 HJAB CC(=O)Nc1cccc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c1 40143036 NZZAGLIPCNWLSM-UHFFFAOYSA-N 406.667 4.795 0 40 HJAB CC1CCC(NC(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)CC1 40144232 VZOJCJBOVNAFGQ-UHFFFAOYSA-N 419.319 4.627 0 40 HJAB C[C@H](Sc1ncc(-c2cccc(Br)c2)o1)C(=O)NCc1cccs1 45943396 BACMVZKQZAXPEG-NSHDSACASA-N 423.357 4.963 0 40 HJAB Cc1ccc(F)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c1 67293093 UACYKMIWWFUKOJ-DAAIQYDRSA-N 414.864 4.675 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(F)cc3C)oc12 67293610 YVLCTNSLZHYMDD-RWEWTDSWSA-N 403.413 4.769 0 40 HJAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1cc(Br)ccc1Cl 72228903 NLSGUYFOFYOBJH-UHFFFAOYSA-N 419.710 4.806 0 40 HJAB O=C(c1cnc2ccc(F)cc2c1NCc1cccc(Cl)c1)N1CCSCC1 72328503 NXVXMKAXTPSEBO-UHFFFAOYSA-N 415.921 4.828 0 40 HJAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72356468 SUJUVRBWMCYHBC-SFHVURJKSA-N 400.457 4.784 0 40 HJAB CC(C)c1c(C(=O)Nc2cccc(Nc3cnn(C)c3)c2)cnn1-c1ccc(F)cc1 78968644 VOZXTLZJBJBGSZ-UHFFFAOYSA-N 418.476 4.864 0 40 HJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 95482403 FJPXMDLVFHUJHR-GOSISDBHSA-N 413.905 4.823 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 96234457 NBXQBVVDCCKLQB-OAHLLOKOSA-N 405.907 4.658 0 40 HJAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@H]1C4=C[C@H]3[C@H]3C(=C[C@H]31)CCCCCC4)C2 102447010 FYSSUZWVUGQKLY-MVMCTENPSA-N 421.585 4.761 0 40 HJAB C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)N1[C@@H](C)CCC[C@H]1C 102547395 JVQMYTVWBQRPME-XQQFMLRXSA-N 423.380 4.504 0 40 HJAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 195529335 SPLRYQBIIXAWSV-LZLYRXPVSA-N 415.452 4.563 0 40 HJAB Cc1cc(OCC(=O)Nc2cccc(Br)c2)cc(C)c1Br 218832627 ORNZHDHOBQUPIH-UHFFFAOYSA-N 413.109 4.846 0 40 HJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 219353644 ZXURCCRJPVEGSN-NRFANRHFSA-N 401.466 4.706 0 40 HJAB CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220726521 FTHBGEOYKSXOCX-FQEVSTJZSA-N 422.978 4.955 0 40 HJAB CCc1ccc(N(CCCC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1 222644195 QFRYKXLGFGZCLM-UHFFFAOYSA-N 402.560 4.557 0 40 HJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)OC)cc2)o1 222902403 GPGOFHSNTGHWHR-NHCUHLMSSA-N 421.522 4.511 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 223134202 QZWNBVRGWQJKJM-OAQYLSRUSA-N 412.599 4.809 0 40 HJAB CC(C)CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223204564 WZADDWCJUBJNNI-QHCPKHFHSA-N 412.549 4.584 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 223210340 DSXQMZPAWCTQAZ-QHCPKHFHSA-N 408.586 4.876 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C1CCCC1 223305692 YOZYDRGELFCJFP-AJSBUHFISA-N 424.614 4.767 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1Cc1ccco1 223331791 RSNGPVPCMOMIAG-CVEARBPZSA-N 420.357 4.671 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223649211 RWZHBFYVJZVCJG-AVRDEDQJSA-N 414.977 4.995 0 40 HJAB Cc1ccc(CN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 223814182 SERHKAJQQOJCEC-SFHVURJKSA-N 412.961 4.667 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)cc1 224053491 NMOXLZDGOIJOOR-QGZVFWFLSA-N 416.562 4.558 0 40 HJAB CCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COc1ccc(C)cc1 224471740 QQMAIZNGNWFJBF-UHFFFAOYSA-N 419.477 4.631 0 40 HJAB Cc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224758542 GIPDHZMXZXHIDE-NRFANRHFSA-N 406.570 4.712 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 225085757 NOERQWJLPPHPLJ-MOPGFXCFSA-N 414.977 4.913 0 40 HJAB COC(=O)c1cc(NC(=S)NCc2ccc(Cl)cc2Cl)ccc1Cl 225306713 IQMSNGBZJZJISZ-UHFFFAOYSA-N 403.718 4.920 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 225579381 LMKDBDBMJGLUNE-QPPBQGQZSA-N 408.586 4.876 0 40 HJAB CC(C)Oc1ccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 225821225 CYCSTQAZVDQJTQ-UHFFFAOYSA-N 402.907 4.664 0 40 HJAB Cc1cccc(C(=O)NC(=S)Nc2cc(-c3ccc(C(=O)O)o3)ccc2Cl)c1 226355753 VRVZRZJWVNGGGG-UHFFFAOYSA-N 414.870 4.733 0 40 HJAB C[C@]12C[C@@H](c3ccccc3)N(Cc3ccc(/C=C/C(=O)O)cc3)[C@H]1CCCCC(=O)N2 257262905 LNOFIERLATXXMD-JCCLSTQCSA-N 418.537 4.549 0 40 HJAB C[C@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC(=O)[C@@H]4C[C@@H](O)CC[C@@]45C)[C@H]3CN2C1 299817663 MWBJDDYEYGDWCZ-WKJAKVKZSA-N 413.646 4.771 0 40 HJAB biogenic,in-vitro O=C(NCC[C@H](O)c1cc2ccccc2o1)NC(c1ccccc1)c1ccccc1 390827073 DTAIDQXGDYEIET-NRFANRHFSA-N 400.478 4.945 0 40 HJAB COCCN1C(=O)S/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O 409148961 VBBBRTOMTAFSSA-UDWIEESQSA-N 410.470 4.511 0 40 HJAB Cc1s/c(=N\C(=O)c2cccc(F)c2)n(C)c1-c1ccc(Br)cc1 409204902 DDVDWAXWZWQLQW-UZYVYHOESA-N 405.292 4.705 0 40 HJAB O=S(=O)(NCc1cc(-c2ccsc2)cs1)c1ccccc1OC(F)(F)F 1775971712 LIKVNDMIIDJDNK-UHFFFAOYSA-N 419.471 4.854 0 40 HJAB Cc1ccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c(C)c1 624081 UIYKCTHLMZFKGX-UHFFFAOYSA-N 417.332 4.582 0 40 HJAB Cc1ccccc1NC(=O)N(Cc1cc2cccc(C)c2n2nnnc12)C1CCCC1 1376722 NBTJVMXZWHMQOY-UHFFFAOYSA-N 414.513 4.871 0 40 HJAB C[C@H]1CCc2c(sc3ncn(CC(=O)Nc4cc(Cl)cc(Cl)c4)c(=O)c23)C1 1787510 CRZCGSSJEHCDQW-JTQLQIEISA-N 422.337 4.528 0 40 HJAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)Nc1ccccc1 4491226 SAVJRSJLWCDUBS-UHFFFAOYSA-N 418.497 4.728 0 40 HJAB CCCCOc1ccccc1NS(=O)(=O)c1cc(Br)ccc1F 4569135 KLFRMWHMTQGYNF-UHFFFAOYSA-N 402.285 4.568 0 40 HJAB CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)c1ccc2c(c1)OCO2)c1ccccc1 4571480 RYPYDOABZAXGSG-RUZDIDTESA-N 422.525 4.680 0 40 HJAB COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCc1c(F)cccc1Cl 4736594 LMTGPHHHCBAZNH-UHFFFAOYSA-N 410.832 4.970 0 40 HJAB O=C(c1ccc(Br)cc1)[C@@]1(O)ON=C(c2ccccc2)[C@H]1c1ccccc1 4804560 ZHTYCLITRCOSAX-KNQAVFIVSA-N 422.278 4.539 0 40 HJAB CCOc1ccc(NC(=O)/C(=C\c2ccccc2F)NC(=O)c2ccccc2)cc1 4853237 ICGPHOJIBCTABJ-CJLVFECKSA-N 404.441 4.634 0 40 HJAB CC(=O)c1cccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C)C4)c1 5042550 BSFAPHJMFXHVDQ-GFCCVEGCSA-N 411.552 4.750 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)cc1Cl 5360054 FFEBWBUDGGEONP-UHFFFAOYSA-N 418.975 4.958 0 40 HJAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1Cc1cccs1 5400578 NVEUJPDFCPIXFS-UHFFFAOYSA-N 412.584 4.994 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)cc1Cl 6207702 JCFYTHRRLGEVOU-UHFFFAOYSA-N 417.918 4.958 0 40 HJAB COc1cc(C[C@@H]2SC(=O)N(CC(C)C)C2=O)ccc1OCc1ccccc1F 6326089 VTINYXHSXVPFCV-FQEVSTJZSA-N 417.502 4.676 0 40 HJAB C[C@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)[C@@H]1C 6586023 PDMKLCHUTQOBRW-FCEWJHQRSA-N 414.619 4.813 0 40 HJAB Cc1ccc(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3C)c2)c(C)c1 6681738 YMJGHMOIBFDJOD-UHFFFAOYSA-N 400.525 4.726 0 40 HJAB Cc1cccc(N2C(=O)CS[C@@]23C(=O)N(Cc2ccc(F)cc2)c2ccccc23)c1 6997149 TZFQDCJBRVZIBX-DEOSSOPVSA-N 418.493 4.614 0 40 HJAB COc1ccc(OC)c(N(CC(=O)c2ccc(OC(F)F)cc2)C2=NCCCC2)c1 7275135 NOUPUAUUMPETRZ-UHFFFAOYSA-N 418.440 4.577 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1nc(Cc2ccc(Cl)cc2)n[nH]1 7777263 FWNFJGHVTDKRRD-UHFFFAOYSA-N 407.326 4.742 0 40 HJAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1=O 7882357 OBYILORIWYAORX-GOSISDBHSA-N 416.477 4.788 0 40 HJAB COc1ccc(N(Cc2cccs2)C(=O)CSc2nc3ccccc3[nH]2)cc1 7901071 QJILXZJZBSTWMD-UHFFFAOYSA-N 409.536 4.959 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)c1 8058866 ZJCNOTOMZXJKPE-INIZCTEOSA-N 416.326 4.536 0 40 HJAB COc1cc(CN(C)[C@H](C)C(=O)Nc2ccccc2)ccc1OCc1ccccc1 8310273 KTEKEKGGWIYASY-LJQANCHMSA-N 404.510 4.733 0 40 HJAB Cc1cc(OCC(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)ccc1Cl 9190356 VEHKIIWIIOABFL-UHFFFAOYSA-N 407.857 4.547 0 40 HJAB Cc1ccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)cc1C 9250754 CROQLIKOHOFRQP-QFIPXVFZSA-N 400.950 4.679 0 40 HJAB O=C(/C=C/c1c(Cl)nc2ccccn12)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9576058 VTONMVDCOXIQIA-VMSUTVGLSA-N 423.900 4.526 0 40 HJAB Cc1ccc(C(=O)[C@H](CC(=O)c2ccsc2)S(=O)(=O)c2ccc(C)cc2)cc1 9591940 LJQQVPDRQTVNRE-NRFANRHFSA-N 412.532 4.663 0 40 HJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 11115286 ZQUMZNVEVDFSMK-YADHBBJMSA-N 407.539 4.820 0 40 HJAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4cc(C)c(C)s4)C3)cc2n1 12257757 GFJGDZJKNFZIIT-CQSZACIVSA-N 422.476 4.755 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 12934126 DKWXBMPSMUYUQH-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CC1(C)Cc2cccc(OCC(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)c2O1 12971068 UFHZRWMBXHOAPQ-UHFFFAOYSA-N 413.477 4.961 0 40 HJAB CCOc1ccc(C(C)=O)cc1CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 13096109 UEUIQRZOXSEBNW-UHFFFAOYSA-N 409.313 4.665 0 40 HJAB O=C(CNCc1cn(-c2ccccc2)nc1-c1cccs1)Nc1ccc(F)c(F)c1 13121537 WIWVNKLKSJWLPB-UHFFFAOYSA-N 424.476 4.607 0 40 HJAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(Cl)cc3)cc2)cc1 13899874 ZAUOFGCKFUTNIU-UHFFFAOYSA-N 408.837 4.907 0 40 HJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 13999702 DUSDHQYDRQDPEX-RTBURBONSA-N 402.494 4.892 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2CC)cc1 14117505 TUCFRXWBLIZQIC-UHFFFAOYSA-N 424.570 4.787 0 40 HJAB COc1ccc(S(=O)(=O)NCCSCc2cccc(C)c2)c(Cl)c1Cl 14186311 HQNPCJPDQUWSMA-UHFFFAOYSA-N 420.383 4.522 0 40 HJAB COc1ccc(C(=O)C2CCN(Cc3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1 14809383 XRLVQCFFZWLZLR-UHFFFAOYSA-N 423.944 4.938 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)c(O)n2)cc1 16777497 QVVJFOXZFXOARA-UHFFFAOYSA-N 408.527 4.581 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 16960721 GCNKCTSNXFSZJW-UHFFFAOYSA-N 422.506 4.611 0 40 HJAB O=C(NCCc1cccc(F)c1)C1(Cc2ccccc2-c2ccncc2)CCOCC1 19348531 VTQYNMZRDFSRBQ-UHFFFAOYSA-N 418.512 4.586 0 40 HJAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1Oc1ccccc1 20436702 RILYWWJBXFUSNQ-UHFFFAOYSA-N 420.852 4.757 0 40 HJAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CCC(=O)Nc1c(Cl)cccc1Cl 22199626 ZZVKQLUHRZBAJT-CQSZACIVSA-N 418.328 4.596 0 40 HJAB Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCC(C)CC3)c(O)n2n1 22626185 QADZDUKJEDHMNL-OAHLLOKOSA-N 411.358 4.933 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2ccc(OC(C)C)cc2)N2CCCCCC2)cc1 27662264 OLZWGVGNZVUHCY-XMMPIXPASA-N 410.558 4.830 0 40 HJAB biogenic CCc1c(C)sc2c1c1nc(-c3ccccc3)nn1c(=O)n2CCc1ccccc1 32092949 NUFSYEBASSZKFA-UHFFFAOYSA-N 414.534 4.886 0 40 HJAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1csc(COc2ccc(F)cc2)n1 32797302 PAHXTRRHRMARAH-MRXNPFEDSA-N 423.517 4.635 0 40 HJAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCCc3c[nH]c4ccccc34)c12 32870338 XOKUCRHEHMNKGV-UHFFFAOYSA-N 414.440 4.791 0 40 HJAB O=C(NCc1ccc2c(c1)OCO2)c1scc(-c2ccccc2)c1-n1cccc1 38653825 PJCFZGFJRNJFPG-UHFFFAOYSA-N 402.475 4.865 0 40 HJAB C[C@@H]1CCCN(Cc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)C1 38857330 BZZKFGUOYPSMNS-LJQANCHMSA-N 411.977 4.534 0 40 HJAB Cc1csc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C(C)C)n1 39768232 FWRMRPDCCVOBCF-UHFFFAOYSA-N 413.528 4.768 0 40 HJAB Cc1cccc(CN2CCC(C(=O)NCCCc3ccc(OC(C)C)cc3)CC2)c1 39772877 ASPKGEZDIOIYPV-UHFFFAOYSA-N 408.586 4.743 0 40 HJAB CCC1CCC(N(C)C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1 40070955 OLFAROWANPZEHT-UHFFFAOYSA-N 400.544 4.528 0 40 HJAB Cc1nc(C2(NC(=O)c3ccc(C4SCCS4)cc3)CCCCCC2)no1 46405780 YQMLQAVOJYUQME-UHFFFAOYSA-N 403.573 4.836 0 40 HJAB CCc1nnc2sc(-c3cccc(NC(=O)CC45CC6CC(CC(C6)C4)C5)c3)nn12 57316973 YGNBVCCRNWPGSC-UHFFFAOYSA-N 421.570 4.960 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@@H](c1ccccc1)c1cccs1 57383194 WCHUHELPOFUUPW-DEOSSOPVSA-N 416.550 4.868 0 40 HJAB CCN(C(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 57486685 SEUCALLZBSOCSI-UHFFFAOYSA-N 406.873 4.912 0 40 HJAB Cc1cc(Sc2ncccn2)ccc1NC(=O)COc1ccc(F)c(Cl)c1 58175089 LBTAZPJPKNRKEJ-UHFFFAOYSA-N 403.866 4.746 0 40 HJAB CC(C)N(C[C@H](O)COc1cccc2ccccc12)C(=O)Nc1ccc(F)cc1F 58344194 AISUXMUCZWDOCD-SFHVURJKSA-N 414.452 4.800 0 40 HJAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(C)c5)[C@H](C)C4)[C@H]3C=C12 59415297 CMTQZHTYEISAFS-NZBCCDEDSA-N 420.597 4.740 0 40 HJAB biogenic CCCCOc1ccccc1/C=C1\N=C(c2cccc(Br)c2)OC1=O 59463885 GZNHBHJFSFQCEI-LGMDPLHJSA-N 400.272 4.973 0 40 HJAB CCCCOc1ccccc1-c1cc(C(=O)NCc2ccc(F)cc2Cl)[nH]n1 72331596 MDZSWXGRRMVZIJ-UHFFFAOYSA-N 401.869 4.978 0 40 HJAB Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)c3scnc3C)C2)n1 72354041 USIPSORLJWLGID-IBGZPJMESA-N 409.530 4.905 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(-n3ccnc3C(C)C)n2)cc1 72378927 JAHNYOMFMQTTQC-QFIPXVFZSA-N 418.541 4.696 0 40 HJAB O=C(CCc1nc2ccccc2s1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 72396279 QXHADJHOUDTVPV-IBGZPJMESA-N 416.550 4.668 0 40 HJAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(-c2ccccc2)o1 79189144 IGHZMHVUJAATKT-SIKLNZKXSA-N 402.402 4.509 0 40 HJAB biogenic O=C(c1csc(-c2ccc(Cl)s2)n1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 84445408 HENAJMSCFWJEFT-RYUDHWBXSA-N 415.005 4.652 0 40 HJAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 89608820 RVJSGMDZELFZAS-AWEZNQCLSA-N 420.962 4.988 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccc2nsnc2c1 90593153 HCCLGDZDANUYIH-UHFFFAOYSA-N 400.916 4.707 0 40 HJAB CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNCc2cccnc2NC)CC1 100657940 HBOOCIANIURDID-CALCHBBNSA-N 422.598 4.761 0 40 HJAB CC(C)C[C@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@@H]2ON1c1ccccc1 102728415 KAEVMPMHCQRLOG-YQVWRLOYSA-N 419.308 4.718 0 40 HJAB CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1 206789654 WCBHCMFBHPPOSA-QGZVFWFLSA-N 406.452 4.798 0 40 HJAB O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1Cc1c(Cl)cccc1Cl 214703983 RVCJQHWSYFDIQH-FRKPEAEDSA-N 408.262 4.959 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)cc1 223777550 DXXZKDAVRQRHON-OAQYLSRUSA-N 406.570 4.712 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCSc1ccccc1 224054775 MKOIYFIKNVGJTO-QGZVFWFLSA-N 416.562 4.640 0 40 HJAB COc1ccc(OCc2cc(C(=O)Nc3cccc(C(C)=O)c3)ccc2OC)cc1 224268363 TYOFHCWKEZBAFK-UHFFFAOYSA-N 405.450 4.738 0 40 HJAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 224523338 XLDZNLORWMBDGO-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCCC[C@@H](CC)CNC(=O)CCCN(c1ccc2ccccc2c1)S(C)(=O)=O 224686702 JSACHCUSISDVBC-LJQANCHMSA-N 418.603 4.719 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 225617074 GXQBXMYJKWDYME-GCJKJVERSA-N 414.977 4.995 0 40 HJAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 257340057 ZEHCMHVUOHHWQJ-UHFFFAOYSA-N 406.570 4.687 0 40 HJAB O=C(CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)Nc1ccccc1 408563360 VLMJRZJDZCMTGY-UHFFFAOYSA-N 419.264 4.534 0 40 HJAB CSc1nc(N2CCCCC2)c2cc(C(=O)NCc3ccc(C)cc3)sc2n1 408625039 WPAYKLVJLMUSRZ-UHFFFAOYSA-N 412.584 4.642 0 40 HJAB COc1ccc(OC)c(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 408625907 JOOOESNFWWEXSV-UHFFFAOYSA-N 417.914 4.753 0 40 HJAB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2Cl)c1 408666504 ZZWSQZIQGHOTQK-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2C)c1 409412557 XLWCNMBRUQFSCZ-UHFFFAOYSA-N 402.560 4.515 0 40 HJAB O=C(Nc1ccc(SCCc2ccc3c(c2)CCO3)nc1)c1ccc(Cl)nc1 524734134 AFKGCYCFBLSUDG-UHFFFAOYSA-N 411.914 4.652 0 40 HJAB Cc1ccccc1C(=O)N1CCC[C@]2(CCCCCOc3ccccc3C(=O)NC2)C1 643559623 UBJPYEZAEUNEJW-SANMLTNESA-N 420.553 4.600 0 40 HJAB O=C([C@H]1CC[C@H]1c1ccc(Cl)cc1F)N1CC(OCCCc2ccccc2)C1 1137119144 VYFBINHHMWFSFB-FPOVZHCZSA-N 401.909 4.833 0 40 HJAB COc1cccc(Cc2cnc([C@H]3CCCCN3Cc3ccc(C(=O)O)cc3)o2)c1 1848353342 TTZDNOTXFHMJMQ-JOCHJYFZSA-N 406.482 4.699 0 40 HJAB COc1ccc(CNC(=O)NCCc2ccc(-c3cccs3)s2)cc1OC 1889291913 JMMPLGUVRWBTLO-UHFFFAOYSA-N 402.541 4.536 0 40 HJAB CC(C)(C)OC(=O)N(CCOc1cc(Cl)ccc1C(=O)O)Cc1ccccc1 2037963973 KWOZQOUTBSQQDH-UHFFFAOYSA-N 405.878 4.854 0 40 HJAB O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1cccnc1 634751 JDHSZCBXNXKMQB-DEOSSOPVSA-N 412.518 4.709 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccccc2C(C)(C)C)sc2c1CCC2 715543 DLRCKIYBSAOQET-UHFFFAOYSA-N 401.528 4.729 0 40 HJAB Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3)nnc2-c2cccnc2)cc1 874204 VMVAUSKIUCIMRD-QGZVFWFLSA-N 415.522 4.757 0 40 HJAB C=CCc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(OC)c1O 1150047 IOMJWGUPWLBSOR-YVLHZVERSA-N 401.484 4.674 0 40 HJAB CCSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CCC[C@H]4C 1248975 GGYWAJITJQNGRM-CYBMUJFWSA-N 410.568 4.955 0 40 HJAB CCOc1ccccc1N(C(=O)c1ccccc1Br)C1=NCCCS1 1327906 IULMEKCTBLUVGF-UHFFFAOYSA-N 419.344 4.988 0 40 HJAB Cc1ccc(S(=O)(=O)NP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 2029637 GCMYIKYYGJKGEC-UHFFFAOYSA-N 403.396 4.539 0 40 HJAB Cc1cc(C(=O)CSCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)c(C)n1C 2651808 VDECWGFNPNRHEB-UHFFFAOYSA-N 423.563 4.723 0 40 HJAB Cc1cc(C)nc(SCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)n1 3386075 XGBLRJTYFYUPKL-UHFFFAOYSA-N 420.254 4.606 0 40 HJAB CCCCNC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C)cc2s1 3664529 ZODWTBSETRXBPF-UHFFFAOYSA-N 413.568 4.865 0 40 HJAB CC1CCN(C(=O)c2nn3c(C(F)(F)F)cc(-c4ccco4)nc3c2Cl)CC1 4181720 IJEOGUMVSSSVPH-UHFFFAOYSA-N 412.799 4.534 0 40 HJAB COc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1cccs1)N1N=CNC1=N2 4291780 AZZQMNAVCYDKAF-YADHBBJMSA-N 414.490 4.561 0 40 HJAB COc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc(Cl)s3)nc12 4359740 DWNBFJBAZGFGAT-UHFFFAOYSA-N 409.964 4.618 0 40 HJAB COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(C)cc2C)cc1 4518147 PTMIWERAPZEDMO-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB O=C(CSc1nc2ccccc2n1Cc1ccccc1)Nc1ccc(Cl)cn1 4649727 CTGWUMXKUNDOEM-UHFFFAOYSA-N 408.914 4.864 0 40 HJAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)o2)cc1 5170184 YCMXYOYKZMNVPG-KGLIPLIRSA-N 415.490 4.632 0 40 HJAB COc1ccc2sc(N(Cc3ccccn3)C(=O)CCc3ccccc3)nc2c1 5264998 MFQDJAPSFHCRGZ-UHFFFAOYSA-N 403.507 4.866 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)c(C)c1 6083851 INFVUCMKGOSZLF-UHFFFAOYSA-N 410.297 4.951 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1C 6830898 NWYZBQDGILAHOX-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)Nc1c(C)cc(C)cc1C 6881487 GYZRKNRUWAWFKG-UHFFFAOYSA-N 421.463 4.530 0 40 HJAB COc1ccc(NC(=O)c2ccc(NC(=O)/C=C/c3cc(C)ccc3OC)cc2)cc1 8071113 AKMRSNVTLZSGDN-VIZOYTHASA-N 416.477 4.916 0 40 HJAB COc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1OC 8071612 OMPYNMKQNWGEHE-UHFFFAOYSA-N 416.271 4.656 0 40 HJAB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1Cc1ccccc1 8334362 PQJARGCCILEDPF-FYJGNVAPSA-N 405.885 4.904 0 40 HJAB Cn1c(SCC(=O)c2ccc([C@H]3CC3(Cl)Cl)cc2)nnc1-c1ccncc1 9165911 IDFUJUDCFNLZCP-OAHLLOKOSA-N 419.337 4.513 0 40 HJAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Sc3ccc(Cl)cc3)s2)cc1 9347010 GSLTYRWOIHTFPN-NSHDSACASA-N 405.932 4.986 0 40 HJAB Cc1cccc(C(=O)Nc2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)cc2)c1 9366524 NAQQZUBUAINJFZ-FQEVSTJZSA-N 416.521 4.764 0 40 HJAB O=C(Cc1ccc2c(c1)OCO2)N(Cc1ccccc1)c1nc2ccc(F)cc2s1 9522242 IFQHQBZFJVSHQV-UHFFFAOYSA-N 420.465 4.940 0 40 HJAB Cc1ccc(-n2c(SCc3nc(-c4ccsc4)no3)nnc2N2CCCC2)cc1 9864538 FHEKRPFTKPBERT-UHFFFAOYSA-N 424.555 4.580 0 40 HJAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 10253628 RIQMRHKXFAQDIX-UHFFFAOYSA-N 420.490 4.929 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 10313818 BDKWPTXMWISZER-UHFFFAOYSA-N 414.914 4.630 0 40 HJAB O=C1C[C@@H]([C@@H]2CCCN(C(=O)c3ccc(-c4ccccc4)[nH]3)C2)Oc2ccccc21 12236998 HSSJFMDOEFWHTF-KOSHJBKYSA-N 400.478 4.568 0 40 HJAB Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(C)o4)cs3)cc2)no1 12462512 BWSPXRDQMPDHJO-UHFFFAOYSA-N 416.484 4.552 0 40 HJAB CCN(Cc1ccc(Br)s1)C(=O)CSc1nc2ccccc2[nH]1 12525410 DKNCQNDYVFVESS-UHFFFAOYSA-N 410.362 4.528 0 40 HJAB Cc1c(C(=O)N[C@H](c2ccccc2)c2nccn2C)oc2ccc(Br)cc12 12575930 UEIXRVJRCCOAHO-GOSISDBHSA-N 424.298 4.757 0 40 HJAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccc(Br)cc2)C1=O 12622841 MZOAXQIFLUDNDX-NRFANRHFSA-N 409.283 4.570 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nc3ccccc3s2)c1 12733147 SNKNQYWMFDRSHC-KRWDZBQOSA-N 414.552 4.769 0 40 HJAB CN(Cc1ccc2ccccc2c1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 12913721 BLRNZSAAFXQGOZ-UHFFFAOYSA-N 401.293 4.535 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(C)cc2)sc2c1CCCC2 14013358 QCDKJGXJIOHKBN-QGZVFWFLSA-N 401.528 4.908 0 40 HJAB Cc1ccc(-c2nnc(S[C@H](C(=O)N3CCCCC3)c3ccccc3)n2C)cc1 14077617 TWUSLAQQJTWPBU-FQEVSTJZSA-N 406.555 4.636 0 40 HJAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(Cl)cc1 14122375 KRBPMRUKIDJFNJ-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc2ccccc2n1 15968047 CAIFJDLLHKDCCL-UHFFFAOYSA-N 421.806 4.618 0 40 HJAB O=C(Cc1ccc(OC(F)F)cc1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 16694391 UUHZOMHYSDQWQK-NRFANRHFSA-N 421.447 4.807 0 40 HJAB CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc(C)c(C)c1 16842285 WHCDEWMINHANNG-UHFFFAOYSA-N 409.486 4.568 0 40 HJAB Cc1ccccc1-c1noc(-c2sccc2S(=O)(=O)N(C)c2ccccc2)n1 16845983 SHNOYGFNBQTNPW-UHFFFAOYSA-N 411.508 4.599 0 40 HJAB Cc1ccccc1CC(=O)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 19237044 JJMRSTQSYBVBOY-UHFFFAOYSA-N 412.493 4.542 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 19717248 DBZQBXODRSZSOW-JOCHJYFZSA-N 403.526 4.840 0 40 HJAB Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1-c1ccc(OC(F)F)cc1 19911277 UDYWPUPOMIXCSS-UHFFFAOYSA-N 413.211 4.736 0 40 HJAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCC[C@@H](c4nc5ccccc5s4)C3)c2c1 20745799 HHZZVUFEYUXDOR-SZNDQCEHSA-N 421.522 4.792 0 40 HJAB Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCC[C@H](C)C3)c(O)n2n1 22626108 OPVYREZVZZSPSR-BONVTDFDSA-N 411.358 4.933 0 40 HJAB CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCc4ccccc4C3)c(O)n2n1 22855069 FXLQCVWIVIACAT-FQEVSTJZSA-N 404.539 4.515 0 40 HJAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NC[C@@H](c1ccccc1)N1CCCC1 23742263 ZOBMJGQHAFGKJH-NRFANRHFSA-N 423.944 4.881 0 40 HJAB O=C(COc1ccccc1[C@H]1Nc2ccccc2-c2nc3ccccc3n21)N1CCCC1 26720846 NAPOFSSGNYMAHN-SANMLTNESA-N 424.504 4.677 0 40 HJAB O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)Nc1ccccc1Cl 27920948 HACRNLDSQOWYMP-UHFFFAOYSA-N 405.683 4.991 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)c1 28206845 KBMQPSYJVQUINV-SFHVURJKSA-N 420.534 4.696 0 40 HJAB CC[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 30867611 PFCHVVOPVHLOQR-NRFANRHFSA-N 408.523 4.677 0 40 HJAB COc1cc(OC)c2cc(C(=O)N(Cc3ccccc3)Cc3ccco3)[nH]c2c1OC 33002537 PNFJJOMRZFKCIR-UHFFFAOYSA-N 420.465 4.629 0 40 HJAB O=C(NCc1ccc(F)cc1)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 38501136 CLYGBNHSRHQLOZ-UHFFFAOYSA-N 419.431 4.660 0 40 HJAB O=C(Cn1cccn1)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 40013797 IQQMSPDFZNRIDG-QHCPKHFHSA-N 420.516 4.980 0 40 HJAB COc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)cc1 40485875 LVLQPKPCOFKRTD-NRFANRHFSA-N 406.869 4.796 0 40 HJAB COc1ccc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)cc1N1CCCC1=O 48234601 WNFJOTNZJNUNFD-OAQYLSRUSA-N 413.543 4.937 0 40 HJAB C[C@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(F)c(F)c1 57383174 MSKOMQQVQAQTSZ-AWEZNQCLSA-N 402.441 4.686 0 40 HJAB Cc1nn(C)c2sc(C(=O)N[C@@H](Cc3cccc(F)c3)c3cccc(F)c3)cc12 65514701 HMTPGOQXPXBUEV-IBGZPJMESA-N 411.477 4.935 0 40 HJAB Cc1ccc(-c2csc3ncn(C[C@H](O)c4c(F)cccc4F)c(=O)c23)cc1C 71949389 FGLAXLNOGDCOIO-SFHVURJKSA-N 412.461 4.754 0 40 HJAB Cc1cc(C(=O)CN(C)Cc2cnccn2)c(C)n1C(c1ccccc1)c1ccccc1 72308264 ROAFYVVLFGQWTE-UHFFFAOYSA-N 424.548 4.847 0 40 HJAB CCN(C[C@@H]1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1)CC(F)(F)F 72311397 QLLSEGIXLRNQTN-KRWDZBQOSA-N 408.464 4.612 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 72358970 UIYPGPPBWCKASL-GOSISDBHSA-N 414.484 4.713 0 40 HJAB Cc1cc(C)nc(NNC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)n1 84114522 MXFCSULHWNQEPK-UHFFFAOYSA-N 400.813 4.737 0 40 HJAB O=C(COc1ccc(CNc2ccc(-c3ccccn3)cn2)cc1)Nc1ccccc1 95945592 GJWBNUCKLBEYJE-UHFFFAOYSA-N 410.477 4.773 0 40 HJAB C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 95993254 MPJGXYSYXJGQDJ-DOTOQJQBSA-N 407.464 4.537 0 40 HJAB COc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2c(Cl)cc(Cl)cc23)c(OC)c1 101353008 KPGSNIBOPTXOPB-IFXJQAMLSA-N 409.269 4.780 0 40 HJAB COc1cccc(OC)c1OC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102315132 DNNHNVDZHVCQBZ-RCRDTURJSA-N 409.320 4.733 0 40 HJAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 102420614 OIWJNXFQILPYHM-DRXUAVOGSA-N 410.543 4.639 0 40 HJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118934464 JIAQXWKDZDJACF-XHPWGDQZSA-N 418.574 4.867 0 40 HJAB O=C(Nc1ccc(OC(F)(F)F)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 215701930 WBWWBMFFEMVWOX-AQTBWJFISA-N 416.355 4.588 0 40 HJAB Clc1ccc(-c2nnc(CSc3nnc(COc4ccccc4)o3)o2)cc1 216036370 SXTISOGUFRUAGD-UHFFFAOYSA-N 400.847 4.644 0 40 HJAB Cc1cc(OCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc(C)c1Cl 218927488 JSITVLNXHZWMCA-UHFFFAOYSA-N 420.296 4.698 0 40 HJAB O=C(NCC1(c2ccccc2)CCOCC1)c1cccc(OCc2ccccc2)c1 223265244 UJMFZVWOFCJUMU-UHFFFAOYSA-N 401.506 4.744 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223649276 RWZHBFYVJZVCJG-PGRDOPGGSA-N 414.977 4.995 0 40 HJAB O=C(NCCOCc1ccccc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 224545093 VUFKGVFLPWHCBL-UHFFFAOYSA-N 421.368 4.538 0 40 HJAB CCOc1ccc(S(=O)(=O)N(CC)c2ccc(Cl)c(C(F)(F)F)c2)cc1 224596039 MOZRGBBYKWMMCE-UHFFFAOYSA-N 407.841 4.973 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 225091383 GJTLJGDYSDPZGQ-ZWKOTPCHSA-N 400.950 4.523 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 225115922 GGPLMTIHVNQOAC-FCHUYYIVSA-N 424.585 4.794 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCc2cccc(OC(C)C)c2)c1 225565700 CUKNOLXGYLRCLK-UHFFFAOYSA-N 420.962 4.833 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 225577694 QGICTDAONFAVAV-MRXNPFEDSA-N 404.919 4.715 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)[nH]n1 257227539 FPUPXUPLKNWNLZ-INIZCTEOSA-N 412.921 4.785 0 40 HJAB Cc1cccnc1C(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257272145 NBGLMTSCQLGAOM-GHTZIAJQSA-N 412.917 4.579 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)c1 257328316 XFCNMFFGGPOHBH-LJQANCHMSA-N 424.928 4.876 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2Cl)c(C)c1 408663854 OZKVWODUKOEBCQ-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC=C[C@H](C)[C@H]2C1=O 408671847 LQBMTJCZGXAEID-JNAXZKDPSA-N 408.885 4.602 0 40 HJAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408706730 CUQVMCFNKSEPBM-NRFANRHFSA-N 416.496 4.517 0 40 HJAB CC(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 408708844 UMLICFADVCVMGK-INIZCTEOSA-N 405.325 4.786 0 40 HJAB O=C1N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1c1ccccc1 409018179 YCUZQJJPFNDTQB-ATVHPVEESA-N 409.239 4.806 0 40 HJAB CC(C)Cn1c(SCC(=O)N2CCCC[C@H]2C)nnc1-c1ccc(Cl)cc1 409215856 BRUXOAQEWXLSQZ-OAHLLOKOSA-N 406.983 4.748 0 40 HJAB CC[C@H](C)n1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c2ccccc21 409392473 MUQLDPHIFBNWQD-BDQMVGTNSA-N 401.535 4.999 0 40 HJAB COc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=NN1S(=O)(=O)c1ccc(C)cc1 710110 FQDJPDYSJDDRFH-QHCPKHFHSA-N 420.534 4.852 0 40 HJAB COc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1Br 724150 VOYXVUQYWWFGJC-UHFFFAOYSA-N 424.254 4.913 0 40 HJAB CCN(C(=O)c1ccccc1F)[C@@H](C(=O)Nc1c(C)cccc1C)c1ccc(O)cc1 792659 OYUWMBDRHVLSKD-HSZRJFAPSA-N 420.484 4.990 0 40 HJAB O=C(C[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1cc2ccccc2o1 1076381 CLEOVMPJRBCEKB-HSDHKRTLSA-N 423.468 4.953 0 40 HJAB CCc1nc(SCC(=O)c2ccc3c(c2)OCCO3)c2c(C)c(C)sc2n1 1372165 DKEZTEQSUXULKH-UHFFFAOYSA-N 400.525 4.617 0 40 HJAB COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3ccccc3)cc2O)c1 2209189 MDHYGSWEOABZMN-UHFFFAOYSA-N 415.449 4.811 0 40 HJAB biogenic O=C(NCc1ccc(F)cc1)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 2474767 HSFCFYUEVFVHPG-GOEBONIOSA-N 424.423 4.674 0 40 HJAB O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1ccccc1)N2 4168375 BZDAXARBZUSXCH-DHKFRQMESA-N 402.538 4.892 0 40 HJAB CCCS(=O)(=O)c1c(Nc2ccccc2C)sc(C(=O)c2ccccc2)c1N 4372179 BKZGIOPTRUSEJF-UHFFFAOYSA-N 414.552 4.797 0 40 HJAB aggregator C[C@H](Sc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 4541380 PFNYVVRTLISIQY-AWEZNQCLSA-N 410.461 4.661 0 40 HJAB O=c1[nH]cnc2c1[C@H](c1ccc(Br)cc1)c1c(ccc3ccccc13)O2 4663959 IUYNBWGZMQYIMO-QGZVFWFLSA-N 405.251 4.972 0 40 HJAB COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2cccc(OC)c2)c1 4715812 AVOOUKXSTYTVLC-DHLKQENFSA-N 416.477 4.955 0 40 HJAB O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cc(-c2ccco2)on1 4881126 LAWMGOGZDHNVNJ-UHFFFAOYSA-N 403.225 4.739 0 40 HJAB COc1ccccc1Cn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21 4937162 UIXOFFMPSKWEQH-UHFFFAOYSA-N 401.437 4.737 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccn2)N1Cc1ccccc1 5516018 BVHJUABMPLHLGW-FQEVSTJZSA-N 402.837 4.587 0 40 HJAB Cc1ccc(-c2csc(NC(=O)CCCC(=O)O)c2C(=O)OC(C)C)cc1C 6215861 JTVIDLRMYXYBBT-UHFFFAOYSA-N 403.500 4.791 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 6345746 MAELNVRSGWAZKY-UHFFFAOYSA-N 400.434 4.527 0 40 HJAB O=C1O[C@@H](C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)Cc2ccccc21 6649370 VXZMPZYBXCVADU-HXUWFJFHSA-N 414.486 4.607 0 40 HJAB CCOC(=O)c1c(NC(=S)NC2CCCCC2)sc2c1C[C@](C)(CC)OC2 6707824 YKWRLARJBIHBJG-FQEVSTJZSA-N 410.605 4.785 0 40 HJAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2c(C)noc2C)cc1 7384474 SQKQIHUATHTDTJ-UHFFFAOYSA-N 408.863 4.547 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2Cl)c1 7717211 HIDIHJCYNFVOPA-SFHVURJKSA-N 409.313 4.786 0 40 HJAB COc1ccc(-c2noc(CN(C(=O)Cc3ccc(C)cc3)C3CCCCC3)n2)cc1 7759452 VYCUVGVRSSFTQX-UHFFFAOYSA-N 419.525 4.958 0 40 HJAB COc1cc(OC)cc(-c2nnc(S[C@@H](C)c3nnc(-c4ccccc4)o3)o2)c1 7780824 PNJLSXWXMYSRPP-LBPRGKRZSA-N 410.455 4.657 0 40 HJAB O=C(Nc1ccc(-c2nccs2)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 7986503 LZEBMYMMJCGPRX-IZZDOVSWSA-N 417.534 4.701 0 40 HJAB O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)c1ccc(O)cc1 8156996 GEWSTCJNXWILIX-UHFFFAOYSA-N 407.520 4.600 0 40 HJAB Cc1ccccc1CN(C)C(=O)CSc1nc(C(F)(F)F)nc2ccccc12 8428070 QOAQONAATAHGDC-UHFFFAOYSA-N 405.445 4.708 0 40 HJAB COc1ccc(Nc2nc(NCc3cccnc3)nc3c2cnn3-c2ccccc2)cc1 9573560 GUAJVNQPROMDEN-UHFFFAOYSA-N 423.480 4.575 0 40 HJAB Fc1ccc(Nc2nc(NCc3ccco3)nc3c2cnn3-c2ccccc2)cc1 9622510 ZLHRQRBKMSWOHC-UHFFFAOYSA-N 400.417 4.903 0 40 HJAB COc1ccc(/C=C/c2nc(-c3ccccc3O)n(Cc3ccccc3)n2)cc1OC 9927381 SKZIWDVQEOSLMX-FYWRMAATSA-N 413.477 4.887 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(NCc2ccccc2)s1 10021755 UZNZYSJIABABII-UHFFFAOYSA-N 420.947 4.543 0 40 HJAB Cn1c(Cc2nc3c4c(sc3c(=O)[nH]2)C[C@H](C(C)(C)C)CC4)nc2ccccc21 12535233 RXFBIFKEJHZJFO-CYBMUJFWSA-N 406.555 4.613 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)Cn1c(-c2ccc(C)cc2)n[nH]c1=S 12797198 BQYIUXXBHOYCHW-UHFFFAOYSA-N 410.543 4.861 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2nnc3scc(-c4ccc(C)cc4)n23)cc1 12878625 YTNJONICSVHILI-UHFFFAOYSA-N 422.535 4.700 0 40 HJAB Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccccc1)C3 13634221 KUZKTXRXWPGDDN-SFHVURJKSA-N 400.507 4.638 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCc4ccccc43)ccc2C)c1 13676180 ZAAUEQHUMSIZHW-UHFFFAOYSA-N 420.534 4.616 0 40 HJAB O=C(Nc1ccc(Cl)cc1)C1CCN(c2ncnc3c2sc2ncccc23)CC1 16841412 XFELVQRGVDGTEQ-UHFFFAOYSA-N 423.929 4.748 0 40 HJAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc21 17286587 PYHCYRGFKPMEGL-UHFFFAOYSA-N 414.571 4.729 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1Cl)N1CCOCC1 18194976 SBSVLKPIOLAULG-XMMPIXPASA-N 420.940 4.619 0 40 HJAB Cc1nc(Nc2nc(C)c3ccccc3n2)[nH]c(=O)c1Cc1cccc2ccccc12 18266768 BNUQZGZIOSTEBA-UHFFFAOYSA-N 407.477 4.818 0 40 HJAB CCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)c3ccnc(NC)c3)cc2)O[C@@H](C(C)C)C1 19711858 QSNRBVQNTFTSNI-ZLNRFVROSA-N 424.589 4.962 0 40 HJAB CC(C)n1c([C@@H](C)NC(=O)CCc2nc3cc(Cl)ccc3n2C)nc2ccccc21 19714215 CCOGEPBKBPTHMB-OAHLLOKOSA-N 423.948 4.967 0 40 HJAB O=c1oc2c3c(c(Cl)cc2c2c1CCCC2)OCN(CCc1ccc(F)cc1)C3 20358175 ZNARJEQJVBCBND-UHFFFAOYSA-N 413.876 4.859 0 40 HJAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)c1 20594823 QCVTZVOJGUPNIH-UHFFFAOYSA-N 424.522 4.745 0 40 HJAB COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccccc5C)c4ncn3n2)cc1OC 21801139 OGGQUNTZKNLNGE-UHFFFAOYSA-N 413.481 4.678 0 40 HJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1OC 22519417 RYFSHYMEHGXQRJ-GFCCVEGCSA-N 410.333 4.894 0 40 HJAB C[C@H](NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 24830061 WKFBDPPDTIJBJV-FDDCHVKYSA-N 416.521 4.625 0 40 HJAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1ccc(Br)o1 32096944 SAYVNUPIRSASCZ-UHFFFAOYSA-N 414.215 4.506 0 40 HJAB COc1ccc(-n2nnnc2C2(Nc3ccc(C(C)C)cc3)CCCC2)cc1OC 35622605 JMKLIVRELJAMMA-UHFFFAOYSA-N 407.518 4.684 0 40 HJAB CCc1cc(C(=O)Nc2ccccc2OC)c2c(C)nn(Cc3ccccc3)c2n1 36621637 VPKOIQCVJDDRNC-UHFFFAOYSA-N 400.482 4.611 0 40 HJAB CCc1cccc2sc(N3CCN(C(=O)Nc4ccccc4Cl)CC3)nc12 38548286 OIWCWEAVVCNVMX-UHFFFAOYSA-N 400.935 4.866 0 40 HJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 40056879 JQNGDCQHNQQKFK-JXOMPUQVSA-N 416.521 4.904 0 40 HJAB Cc1cccc(OC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c1C 41077665 RLJOKXFZWFXFHF-UHFFFAOYSA-N 419.300 4.814 0 40 HJAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(C)[C@@H](c3ccccc3)c3ccccn3)c12 42700280 HCUCRHOGDHYQNV-QHCPKHFHSA-N 413.525 4.657 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 43398482 JTXQSPGKLCSBHY-FQEVSTJZSA-N 415.921 4.554 0 40 HJAB COc1ccc(F)cc1-c1csc(NC(=O)C2(c3ccccc3)CCOCC2)n1 44542720 VJWXVRGMEWMPMR-UHFFFAOYSA-N 412.486 4.645 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)cc(C)c1Cl 44872174 IXMPYYNTRGLCOW-SFHVURJKSA-N 400.950 4.636 0 40 HJAB CCn1cnnc1CNc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12 48286388 ABENBOFFYROBKX-UHFFFAOYSA-N 413.510 4.644 0 40 HJAB O=C(CNc1ccc(Br)cc1Br)N1CCCc2ccccc21 57653031 KTRRGKOGYXNDEF-UHFFFAOYSA-N 424.136 4.603 0 40 HJAB O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1 72330460 RUFPBGWSYMMBBG-GJZUVCINSA-N 417.528 4.533 0 40 HJAB O=C(C[C@@H]1OCCc2ccccc21)Nc1cc(C(F)(F)F)ccc1-n1cccn1 79356481 UHYIAPSOBUWLHV-IBGZPJMESA-N 401.388 4.534 0 40 HJAB Fc1cc(Br)c(Br)c(Br)c1Br 95611837 FEUUJNNALAHVLM-UHFFFAOYSA-N 411.688 4.876 0 40 HJAB CC(C)c1ccc(NC(=O)c2ccnn2-c2ccc3ccc(-c4cncnc4)cn23)cc1 96155301 DBRYEYYJMOQOEH-UHFFFAOYSA-N 422.492 4.958 0 40 HJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3ccccc3F)CC2)n1 100738799 OGPKQTDWTYDSPZ-IZAXUBKRSA-N 404.489 4.690 0 40 HJAB COc1ccc(-c2csc(C3=C(O)CN(CCc4ccccc4)C3=N)n2)cc1OC 102726823 FPUWGGCAJLQXPY-UHFFFAOYSA-N 421.522 4.632 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)NC(C)C)cc1 222449868 NXYBURGDUCZIHH-DEOSSOPVSA-N 408.586 4.822 0 40 HJAB CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC 223125654 ZQIZMNSSZFQKAE-QFIPXVFZSA-N 414.977 4.996 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 223167708 KTBWJVHZYYAPOR-HSZRJFAPSA-N 424.585 4.911 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 223174276 CUDSCEYHPBMMRY-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 224702126 KCSYVORCBCBVIA-OAQYLSRUSA-N 418.940 4.601 0 40 HJAB Cc1ccc(CN(C(=O)CSc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224732856 QLMGDCUEXVCDGN-FQEVSTJZSA-N 424.610 4.953 0 40 HJAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCCC4)cc3)CCOCC2)cc1 225569270 QYTRHLQFRAAJQO-UHFFFAOYSA-N 422.569 4.547 0 40 HJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CCc3ccccc3)CC2)n1 257318939 VQAHSMTXJWMPLW-AFARHQOCSA-N 414.553 4.870 0 40 HJAB CCOc1ccc(N(Cc2ccccc2C)S(=O)(=O)c2ccc(OC)cc2)cc1 408628281 VXAPZCODZAGPKF-UHFFFAOYSA-N 411.523 4.798 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)cc2)cc1Cl 408665281 LDMASKGKSNDTMJ-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)c1 408673466 SGYKQRVHIGMOCR-FSPWUOQZSA-N 410.901 4.826 0 40 HJAB Cc1cccc(COc2ccccc2/C=C2\NC(=S)N(C3CCCCC3)C2=O)c1 409077874 AUBOSRXQZORDBX-QNGOZBTKSA-N 406.551 4.964 0 40 HJAB CN1CCC2(CC1)C[C@@H](NC(=O)c1nc(-c3ccccc3)cs1)c1ccccc1O2 513209541 DHGQJRYFHAPIIW-LJQANCHMSA-N 419.550 4.528 0 40 HJAB Cc1cc(NC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)ccc1C(=O)N(C)C 524985980 ROKQYTXIVOOQDI-UHFFFAOYSA-N 420.513 4.588 0 40 HJAB COc1ccccc1-c1cccc(C[C@]2(C(=O)O)CCN(C(=O)OC(C)(C)C)C2)c1 953043894 GTOZJLWHRNRFNV-XMMPIXPASA-N 411.498 4.617 0 40 HJAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N[C@H]3CC[C@H](Cc4ccccc4)C3)C2)c1 1523602540 OEUJHJTXAQUGAI-CUYJMHBOSA-N 418.581 4.683 0 40 HJAB COC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2ccccc2F)c1C 871963 NMVPKTPCQPMIRX-UHFFFAOYSA-N 418.471 4.548 0 40 HJAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1 1330139 NPUJTLMEXCOVRX-UHFFFAOYSA-N 405.400 4.914 0 40 HJAB Cc1ccc(Cl)cc1-n1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21 2250960 ZQTASOYAYXPRAT-UHFFFAOYSA-N 419.916 4.790 0 40 HJAB C[C@@H]1CCc2nc3ccccc3c(C(=O)O[C@H](C)C(=O)NCCC3=CCCCC3)c2C1 2644101 IBSSVQCDZZOUOA-QZTJIDSGSA-N 420.553 4.912 0 40 HJAB CC(C)n1c(SCC(=O)Nc2ccccc2F)nc2c(oc3ccccc32)c1=O 2713491 CYAZKEKNWXCSCV-UHFFFAOYSA-N 411.458 4.594 0 40 HJAB CCCN(CC(=O)Nc1ccccc1C)CC(=O)Nc1c(Cl)ccc(C)c1Cl 3411452 VNXBNJMSCVVRMA-UHFFFAOYSA-N 422.356 4.899 0 40 HJAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccc(C)cc3)N2C1=O 3636784 GLKVUAJFDILJOY-FPOVZHCZSA-N 420.534 4.777 0 40 HJAB O=C(N[C@H](C(=O)O)C12CC3CC(CC(C3)C1)C2)C(c1ccccc1)c1ccccc1 4070902 OTCJPZJTUKWAFA-DHUDBDOYSA-N 403.522 4.604 0 40 HJAB CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccncc1 4130151 KUFWQKUJCRKHBD-UHFFFAOYSA-N 415.522 4.817 0 40 HJAB CCCCNC(=S)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 4134153 QXTANJVOMPJGKP-UHFFFAOYSA-N 413.612 4.883 0 40 HJAB Cc1cccc(OCCSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)c1 4490721 BQTKSNDBCQIXQU-MRXNPFEDSA-N 400.523 4.509 0 40 HJAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 4545099 WXVLCGHVEMCUBA-SPLOXXLWSA-N 418.518 4.946 0 40 HJAB O=C1Nc2ccc(Cl)cc2[C@@]12Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 5010021 TVKBVQFIFYBNEC-NZQKXSOJSA-N 401.853 4.689 0 40 HJAB Cc1cc(C(=O)CSc2nncn2C)c(C)n1C(c1ccccc1)c1ccccc1 6063151 SLDSUOIYQFZXIG-UHFFFAOYSA-N 416.550 4.846 0 40 HJAB COc1ccc(CCNC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)cc1 6128203 XWXFBDNDIWFANE-UHFFFAOYSA-N 412.489 4.892 0 40 HJAB Cc1nc2ccc(NC(=O)CSc3ncnc4sc(C)c(C)c34)cc2s1 6216161 DTVFJSVSQFULAO-UHFFFAOYSA-N 400.554 4.957 0 40 HJAB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1OC(C)C 6345632 MLXUNXQNINTFAJ-YBFXNURJSA-N 408.479 4.591 0 40 HJAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cccc(OC(C)C)c2)cc1 6630465 UBCUCVGTYBFYLT-UHFFFAOYSA-N 418.493 4.893 0 40 HJAB CCOc1ccc(/C=C2\C(=O)N(c3cccc(SC)c3)C(C)=C2C(=O)OC)cc1 6962020 DIVCZPKFTNBNFI-MOSHPQCFSA-N 409.507 4.684 0 40 HJAB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O 6971816 TXXRYMVAOIIMMK-KGENOOAVSA-N 403.507 4.785 0 40 HJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc2c(c1)CCC2 8156277 HEZMBASJQNBJAM-ZDUSSCGKSA-N 410.568 4.950 0 40 HJAB Cc1nc(-c2ccc(NC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cc2)cs1 9114571 MGGVBGLYTQXCDI-DNVCBOLYSA-N 405.523 4.667 0 40 HJAB COc1ccc(-c2noc(CN(C(=O)NC3CCCCC3)C3CCCCC3)n2)cc1 9201057 MCAVLFQBKDEXLT-UHFFFAOYSA-N 412.534 4.922 0 40 HJAB O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9377391 UNXBNENNKQKLCR-UHFFFAOYSA-N 421.497 4.675 0 40 HJAB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccc(F)c(F)c1 9464832 QWPOFXVTICRKCR-UHFFFAOYSA-N 422.460 4.642 0 40 HJAB C[C@@H](Nc1ccccc1Oc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 9477503 DGUURSRTSGYCHM-LJQANCHMSA-N 417.509 4.755 0 40 HJAB Cc1ccc(Nc2nc(Nc3ccc(C)c(Cl)c3)nc(N3CCOCC3)n2)cc1C 9708882 KGPRXVXUFJVXAX-UHFFFAOYSA-N 424.936 4.774 0 40 HJAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1SCc1cccs1 9783649 JKOGHJCUIXIPGY-UHFFFAOYSA-N 421.547 4.549 0 40 HJAB COc1ccc(CN2CCCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 10413496 HZLBIPXXYYZAEB-UHFFFAOYSA-N 408.329 4.742 0 40 HJAB CC(C)[C@H](N[C@H](C)C(=O)Nc1ccc(Cl)cc1F)c1ccc2c(c1)OCCO2 11093832 DFYGRVXFOKNUMH-XCLFUZPHSA-N 406.885 4.564 0 40 HJAB NC(=O)CSc1ccccc1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 12755757 MMEGOFMHSSMGOE-UHFFFAOYSA-N 402.475 4.930 0 40 HJAB Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccccc5)no4)c(=O)c23)cc1C 12776412 LVUDKGIECHWPME-UHFFFAOYSA-N 414.490 4.840 0 40 HJAB CN(C)C1(CNC(=O)c2ccc(SCc3cscn3)cc2)CCCCCC1 12780387 TWXJJVMYGWZLJC-UHFFFAOYSA-N 403.617 4.820 0 40 HJAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 12876475 UMOBKANSQRMBRX-GFCCVEGCSA-N 400.828 4.826 0 40 HJAB COc1ccc(-c2ccccc2)cc1NCc1cc2cc3c(cc2[nH]c1=O)OCO3 13086669 VNYVAKKECVQUGZ-UHFFFAOYSA-N 400.434 4.545 0 40 HJAB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 13713509 GRYBUPGQWXZFDB-SGNDLWITSA-N 412.489 4.609 0 40 HJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1Cl 15608574 FRFIMLAXEYAEGG-LLVKDONJSA-N 409.711 4.883 0 40 HJAB CCOc1ccc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 15882836 RCJQDXQYKMLJIS-UHFFFAOYSA-N 416.399 4.566 0 40 HJAB CC(C)(C)C(=O)N(Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)cn2nnnc12 19080984 VBXOPGQQZSXPCS-UHFFFAOYSA-N 417.488 4.505 0 40 HJAB O=C(C1CCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccsc3)CC[C@H]21 19406533 YZQLPRRAUXPSOD-NJDAHSKKSA-N 400.613 4.816 0 40 HJAB Cc1nc(-c2cccs2)c(CCC(=O)N2CCN(c3ccccc3F)CC2)s1 19819562 DXLQWBKEGHAJST-UHFFFAOYSA-N 415.559 4.601 0 40 HJAB CCOc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)cc1 21524600 SYAIEPPGAMQMTK-UHFFFAOYSA-N 415.449 4.820 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3)ccc2C)cc1 22522960 LPSLJESEWAFVAL-LJQANCHMSA-N 422.550 4.904 0 40 HJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnc(COc2ccc(F)cc2)o1 23553115 QEKXDJQPNFZQFT-JLSDUUJJSA-N 422.522 4.884 0 40 HJAB COc1ccc(OC)c(CCC(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c1 24778546 ZNDOBGIJUFATTG-UHFFFAOYSA-N 418.465 4.601 0 40 HJAB COc1cccc([C@H]2CN[C@]3(CC(=O)CC(C)(C)C3)c3[nH]c4ccccc4c32)c1OC 25538910 LWORBGQDADVKSB-BCHFMIIMSA-N 418.537 4.895 0 40 HJAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 26001889 KNLVPCJRTAARNF-LJQANCHMSA-N 410.495 4.560 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2nc(-c3ccccc3)oc2C)N2CCCCC2)cc1 27667536 FSTQAUVJBHWNPE-JOCHJYFZSA-N 419.525 4.616 0 40 HJAB Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Br)cc3c2C)N(C)C)cc1 28294875 ADBJZRSLYOFZPY-GOSISDBHSA-N 415.331 4.845 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C2CC2)cc1 32604070 GNUUSXOCWRLUSY-UHFFFAOYSA-N 412.490 4.549 0 40 HJAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccccc1CN(C)C1CCCCC1 32903626 BQYISWVONOTNIH-UHFFFAOYSA-N 417.553 4.906 0 40 HJAB Cc1ccc(N(Cc2ccco2)C(=O)CSc2nncn2-c2ccc(C)cc2)cc1 36702562 ARKCXCYKTFEWNN-UHFFFAOYSA-N 418.522 4.803 0 40 HJAB COc1cc(CCC2CCN(C(=O)[C@@H]3Cc4ccccc4S3)CC2)cc(OC)c1 40033974 OHKBTFBRKMCKDT-QHCPKHFHSA-N 411.567 4.592 0 40 HJAB O=C(Nc1nc2c(s1)CCC2)c1ccccc1-c1ccc(Cn2cccn2)cc1 40050878 DYMDDDJNOTZJOV-UHFFFAOYSA-N 400.507 4.796 0 40 HJAB Clc1ccccc1CN(CCCn1ccnc1)Cc1ccnn1[C@H]1CCCCO1 43277790 ONOQWWURLXPNOS-JOCHJYFZSA-N 413.953 4.525 0 40 HJAB Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3ccccc3F)CC1)CC(C)(C)O2 44855243 UYMFFEVLVWKHOG-JOCHJYFZSA-N 410.533 4.765 0 40 HJAB O=C(Nc1ccc2c(c1)OCCCO2)C1(c2cccc(C(F)(F)F)c2)CCOCC1 64692878 WJOLYNXQKCGBER-UHFFFAOYSA-N 421.415 4.554 0 40 HJAB O=c1n(Cc2ccc(F)cc2Cl)c2ccccc2c2nc(-c3cccc(F)c3)nn12 65502078 FECVZBNIVZJOLH-UHFFFAOYSA-N 422.822 4.691 0 40 HJAB O=C1C[C@H](c2ccc(OCc3cccc(Cl)c3)cc2)c2snc(C(=O)O)c2N1 66091603 MJCLSHCILWTCSM-OAHLLOKOSA-N 414.870 4.548 0 40 HJAB CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)N(C)c1cccc(Cl)c1 71327923 FNDULWTWQQYEMM-UHFFFAOYSA-N 423.944 4.541 0 40 HJAB CCCCc1noc(CN2CCC([C@H]3CCCCCN3C(=O)c3ccccc3)CC2)n1 71889313 NKGNIEHURSDSGU-JOCHJYFZSA-N 424.589 4.709 0 40 HJAB CNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)CC(C)C)CC1 72345126 YGXBOBVVLADUJT-UHFFFAOYSA-N 406.570 4.605 0 40 HJAB COc1ccccc1NC(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1 77200387 LUUNDJUCJKZMJW-SJORKVTESA-N 401.438 4.516 0 40 HJAB COc1ccc(OC)c(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)c1 96901476 SWVDPAAMTCYGKH-UHFFFAOYSA-N 411.527 4.807 0 40 HJAB COc1ccc(OC)c(N/C=C2\C(=O)N(c3ccccc3C)C(=O)c3ccccc32)c1 101277549 ORGFWXYJZJAIEN-HKWRFOASSA-N 414.461 4.652 0 40 HJAB COc1ccc(C(C)=O)cc1COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102181859 SKTSZGSENZOICR-VKFLQFAXSA-N 421.331 4.675 0 40 HJAB C[C@@H]1CC[C@@H]2[C@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@@H](O)[C@@]43C)N2C1 118915634 AANKDJLVHZQCFG-CSFJKFLYSA-N 413.646 4.626 0 40 HJAB in-vitro COc1ccc(NC(=O)C[C@]2(C)NN=C(c3cccc4ccccc34)S2)c(OC)c1 149911391 CNNNNMUYRYBMHC-HSZRJFAPSA-N 421.522 4.600 0 40 HJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(I)cc2)cc1 222873284 UAQFNGDQUIVJOC-KRWDZBQOSA-N 409.267 4.650 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1C1CCCCC1 223089692 LNQAZSACRSGDRL-DHIUTWEWSA-N 417.582 4.632 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 223222813 BWEBYANVPRRDEL-NRFANRHFSA-N 414.977 4.913 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 223639855 NKTLZOMQBOCDPG-DEOSSOPVSA-N 424.585 4.714 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1ccccc1 224147032 RUJJBVAOEWOIAB-HSZRJFAPSA-N 422.550 4.701 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c1 257226893 FMQJYFUSMUDFAQ-NRFANRHFSA-N 410.901 4.834 0 40 HJAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)Cc4ccccc4F)CC3)o2)s1 257276659 NUQIOCMMKICISJ-WKILWMFISA-N 413.518 4.878 0 40 HJAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)COc2ccc(C)cc2)o1 257311588 UKFSUHYBSITLLD-QFIPXVFZSA-N 420.509 4.715 0 40 HJAB O=C(O)c1ccccc1CN1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257326179 WWDIYAGPWDLIEK-GOSISDBHSA-N 410.901 4.997 0 40 HJAB Cc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)Nc1cccc(C)c1C 408543474 DRSXUYKOVIIYIJ-UHFFFAOYSA-N 414.571 4.865 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(I)cc1F 408624048 WWWGIJMTPOBYOM-FPYGCLRLSA-N 401.606 4.736 0 40 HJAB CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc2cc(Cl)ccc2o1 409330059 JHOIARDWTHYXQA-UHFFFAOYSA-N 418.950 4.906 0 40 HJAB Cn1ccc([C@@H](NC(=O)COc2ccc3ccccc3c2)c2ccc(Cl)cc2)n1 545112997 NGYAROWSCUYIQZ-QHCPKHFHSA-N 405.885 4.511 0 40 HJAB Cc1cccc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccco3)nc(C)n2)n1 585292407 LUYPWWOWFLZRBU-SGWGQVFISA-N 403.486 4.592 0 40 HJAB CCOc1ccccc1CN1CCOCCOc2ccccc2Oc2ncccc2C1 643563655 JGVWJTXVMNSDBF-UHFFFAOYSA-N 420.509 4.684 0 40 HJAB O=C(C1CCOCC1)N1CCCCCCCCN(C(=O)C2CC2)c2ccccc2C1 643569770 RNLIXMRANBZZTO-UHFFFAOYSA-N 412.574 4.539 0 40 HJAB O=C(CS[C@H]1NC(c2ccc(Cl)cc2)=CS1)N1CCCc2ccccc21 1554502633 WTXBCVZCTQCCHO-FQEVSTJZSA-N 402.972 4.971 0 40 HJAB COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc(OC)c1OC 802639 IPLHPTKZZHZDHF-QFIPXVFZSA-N 408.429 4.623 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)NCc3ccccc3)n2-c2ccccc2)cc1 868884 URSSISJWMGANJC-UHFFFAOYSA-N 414.534 4.651 0 40 HJAB COc1ccc(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 918014 HKBXFUNVHLNRBR-UHFFFAOYSA-N 423.416 4.885 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1Cl 1327487 NBTWNEITPXACKP-UHFFFAOYSA-N 406.960 4.826 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ncccc2-c2nc3ccccc3[nH]2)cc1 1352404 GSURPRZVZTVEMZ-HNNXBMFYSA-N 416.506 4.947 0 40 HJAB Cc1ccc2cc(CN(Cc3ccccc3)C(=O)c3cnccn3)c(Cl)nc2c1 1367625 GBIYSQRDABPNPM-UHFFFAOYSA-N 402.885 4.829 0 40 HJAB Cc1c(C(=O)Nc2ccccc2N2CCOCC2)oc2ccc(Br)cc12 2620601 YYDUNRMJOMVMIT-UHFFFAOYSA-N 415.287 4.593 0 40 HJAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(Br)cc1 3217068 DWFJIHCUPBRUFO-UHFFFAOYSA-N 424.294 4.763 0 40 HJAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1cc(Cl)c(Cl)cc1Cl 3350361 GGUPPWHJLTXZAM-UHFFFAOYSA-N 409.656 4.991 0 40 HJAB Cc1ccc(C)c(NC(=S)Nn2cnc3scc(-c4cccs4)c3c2=O)c1 3381971 AVMWMAIVLBPQFN-UHFFFAOYSA-N 412.565 4.744 0 40 HJAB CCOc1ccc(-c2noc(CCCC(=O)Nc3ccccc3Cl)n2)cc1OC 4488183 DXLKYXTZSFIOOG-UHFFFAOYSA-N 415.877 4.759 0 40 HJAB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1noc2c1CCCC2 4881293 GZISGCOEYAKGQJ-UHFFFAOYSA-N 419.312 4.974 0 40 HJAB O=C(Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1Cl)NC1CCCCC1 5000948 BLRJQDQASGBYML-UHFFFAOYSA-N 413.905 4.720 0 40 HJAB COc1ccccc1CNC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 5459623 GGMITBSVFRLNKN-UHFFFAOYSA-N 407.322 4.984 0 40 HJAB Cc1oc2cc(OCC(=O)NCc3cccs3)ccc2c(=O)c1-c1ccccc1 5497988 WFLSLAKGVFZVTB-UHFFFAOYSA-N 405.475 4.525 0 40 HJAB O=C(COC(=O)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(F)cc1 5938683 BEMFXOBTPGMCPL-IRXDYDNUSA-N 412.486 4.891 0 40 HJAB COc1cc(C=O)c(Br)cc1OCc1ccc(Br)cc1 6180672 LKTGMINJAFRZLD-UHFFFAOYSA-N 400.066 4.612 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)COc2ncnc3scc(-c4ccccc4)c23)c1C 6560855 NOVMORJUTWGZSV-UHFFFAOYSA-N 405.479 4.768 0 40 HJAB CCOc1ccc(C[C@H]2SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OCC)c1 6961753 UPZPTILMFYUPJQ-LJQANCHMSA-N 419.930 4.944 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1c2ccccc2Oc2ccccc21 7405407 RXQVETUKJPCDES-UHFFFAOYSA-N 400.478 4.638 0 40 HJAB CCOC(=O)Cc1csc(Sc2ncnc3sc4c(c23)CC[C@@H](C)C4)n1 7466938 ZMWAJRANFRPVQY-SNVBAGLBSA-N 405.570 4.529 0 40 HJAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H](Sc1ccccc1)c1ccccc1 7842687 HLEHAWWINDQORD-QHCPKHFHSA-N 404.535 4.995 0 40 HJAB C[C@@H](Oc1ccc2ccccc2c1Br)C(=O)Nc1ccc2c(c1)OCO2 9216650 CVNOHQFRYYLHML-GFCCVEGCSA-N 414.255 4.737 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(-c2cccc(O)c2)on1 9597878 SLXIKHFFEVIWGW-UHFFFAOYSA-N 422.872 4.815 0 40 HJAB C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NCc1ccco1 9864830 GPOIBXLPMQEOFY-MRXNPFEDSA-N 416.506 4.596 0 40 HJAB CS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)c1 10187490 LFBBDDTUERVOLE-UHFFFAOYSA-N 422.531 4.547 0 40 HJAB CCc1oc2cc(OC(=O)C(C)(C)C)ccc2c(=O)c1-c1nc2ccccc2n1C 11867610 CKESNOVZCXRWEB-UHFFFAOYSA-N 404.466 4.861 0 40 HJAB Cc1cc(NC(=O)c2c(F)cccc2F)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442007 UKRIKIVYQVIYPD-UHFFFAOYSA-N 414.412 4.974 0 40 HJAB O=C(Nc1ncc(Cc2ccccc2Br)s1)c1ccc2[nH]cnc2c1 12525244 FVXRZAZDPGLKKB-UHFFFAOYSA-N 413.300 4.625 0 40 HJAB CC(=O)c1ccc(SCC(=O)Nc2ccc(Br)cc2F)c(F)c1 12785227 FVCGGOZGAUPMRV-UHFFFAOYSA-N 400.244 4.661 0 40 HJAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc(OC)c1OC 12982744 LJIQPRNHUBFIRP-DVQDXYAYSA-N 424.522 4.699 0 40 HJAB C[C@H](Sc1nnc([C@H](C)Oc2ccccc2F)o1)C(=O)N(C)C1CCCCC1 12997648 VKOJWUTWUZIXFK-KBPBESRZSA-N 407.511 4.620 0 40 HJAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccccc1Br 13839487 XVTNLBVGKNLNMZ-UHFFFAOYSA-N 424.320 4.984 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2C)c1 13842432 ZBHMNLPGWDLIPC-UHFFFAOYSA-N 410.543 4.557 0 40 HJAB Cc1cccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c1C 15391047 RPWBFPDHMXEMAT-SFHVURJKSA-N 420.962 4.529 0 40 HJAB CCOc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccccc2)cc1 15412519 UIWFVGCOJVYDDH-VWLOTQADSA-N 414.505 4.823 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)c(Cl)c2)n1C 17087611 RDQAIUGVXTVJSP-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CC2CCCCC2)cc(N(C)C)n1 19240848 KWYNPQJYXQFJOV-JOCHJYFZSA-N 419.573 4.703 0 40 HJAB CCCc1ncc(-c2cc(C)no2)c([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 19525538 PMMHBPMVYHWBPU-FQEVSTJZSA-N 422.504 4.828 0 40 HJAB COc1cccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 20492920 CGXVNDGNTPJFMJ-ZDUSSCGKSA-N 414.354 4.819 0 40 HJAB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1OC 20633400 ZTWQMVLUYMEEKD-QFIPXVFZSA-N 421.497 4.684 0 40 HJAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)N(C)C)c3)c3c(C)noc3n2)s1 21138344 XCACFPXJSQNYMV-UHFFFAOYSA-N 420.494 4.522 0 40 HJAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccccc1Oc1ccccc1)cn2C 22237375 YTDHUXPKCAXTFC-UHFFFAOYSA-N 414.461 4.982 0 40 HJAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)Nc1ccccc1F 23042874 KMJZRXMBMWQWHS-UHFFFAOYSA-N 417.484 4.937 0 40 HJAB COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C 27740843 DUSGFXAIFCFGGB-AWEZNQCLSA-N 415.877 4.730 0 40 HJAB COc1c(Br)cc(Cl)cc1NC(=O)CSCc1c(C)noc1C 27828469 KNTJKDOVJAPWJQ-UHFFFAOYSA-N 419.728 4.588 0 40 HJAB CC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(C)cc1 30848722 JPZFPVPQHFVVTI-OAQYLSRUSA-N 408.523 4.677 0 40 HJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 32622305 WIQKITBGQCCKTI-HNNXBMFYSA-N 403.413 4.949 0 40 HJAB CCOc1ccccc1-c1nc(CC(=O)Nc2cccc(NC(=O)C3CC3)c2)cs1 32764873 KMTJAKNEDDZDRX-UHFFFAOYSA-N 421.522 4.739 0 40 HJAB O=C(C[S@](=O)C(c1ccccc1)c1ccccc1)Nc1ccc(F)c(F)c1F 32801002 UJDZDMWQDZOHEL-MUUNZHRXSA-N 403.425 4.581 0 40 HJAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(OC)c(OC(C)C)c2)c1 36358765 LYDRGBBDHRGUPG-SFHVURJKSA-N 407.470 4.800 0 40 HJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CCOc1ccccc1 40040449 NYBXUJFYEWTNBN-LJQANCHMSA-N 402.494 4.927 0 40 HJAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 40140996 OXYTUKKOKVODJB-HXUWFJFHSA-N 409.574 4.585 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(C)c1 44883634 RREMJXVCBBCCGI-MRXNPFEDSA-N 414.552 4.657 0 40 HJAB CN(Cc1ccccc1)C(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487279 YKIYQHOFWGGFIY-UHFFFAOYSA-N 406.873 4.517 0 40 HJAB CCN(CC)c1nc2sc(C(=O)N3C[C@H](c4ccccc4)O[C@H](C)C3)cc2s1 65626458 OTBMUQKGUOWWRE-GDBMZVCRSA-N 415.584 4.806 0 40 HJAB O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CCN(Cc2nnc(C3CC3)o2)CC1 69877913 KFJHHVQCRHFVRO-OAQYLSRUSA-N 423.561 4.636 0 40 HJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCNC(=O)OCc1ccccc1 71844201 YKWMEDUVWNNPKE-GOTSBHOMSA-N 408.542 4.878 0 40 HJAB COc1ccc(CCC(=O)N2CC[C@](C)(CCc3ccccc3)C2)c(OC)c1OC 79049986 DOLZASQCOCLQRR-VWLOTQADSA-N 411.542 4.516 0 40 HJAB CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H](C)c2cnn(Cc3ccccc3)c2)s1 89289882 ROZNBPFFQPWVRW-NVXWUHKLSA-N 411.575 4.722 0 40 HJAB O=C(Cn1ccnc1-c1ccnc(Cl)c1)Nc1ccc(OCc2ccccc2)cc1 95990720 DVZLAISXJXVTTJ-UHFFFAOYSA-N 418.884 4.816 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1F 98072966 CDRCLHHDJITQIJ-UHFFFAOYSA-N 412.202 4.716 0 40 HJAB CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 223497763 WIUZUJSZVKHKQJ-HSZRJFAPSA-N 424.903 4.538 0 40 HJAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C 223755720 JWIUJVMISDGQEL-FCHUYYIVSA-N 406.555 4.706 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)c1 225175731 GXNJXCACKNHLBH-FQEVSTJZSA-N 424.560 4.851 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 225207610 XLSRDFUCIZHTPH-HOTGVXAUSA-N 421.368 4.868 0 40 HJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C 225451645 SMCHXPKDYHCTCU-HSZRJFAPSA-N 424.585 4.565 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C 225554355 UNQLABRGSYMHAZ-NFBKMPQASA-N 424.585 4.713 0 40 HJAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(OC)c2ncccc12 225626803 XQOXXNRBCWDCLT-UHFFFAOYSA-N 409.555 4.951 0 40 HJAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(N3CCCC3=O)c1)CC(C)(C)O2 225676048 FLOHESBCBVWQGX-IBGZPJMESA-N 409.555 4.711 0 40 HJAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)NCc1ccc(Cl)cc1 225802638 WQOYFARQECTORA-UHFFFAOYSA-N 409.795 4.658 0 40 HJAB CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(C(=O)O)o3)c2)cc1 226355468 PXOBXSSZRBLXNL-UHFFFAOYSA-N 408.479 4.895 0 40 HJAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 409171510 CPJXMCTWQOPMGU-HIMLSBAZSA-N 412.898 4.961 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 562008279 NJBSFDDQPONRHA-OAHLLOKOSA-N 410.417 4.756 0 40 HJAB O=C(c1ccc(-c2ccccc2OC(F)(F)F)o1)N1C[C@H](CO)Cc2ccccc21 646533015 SSCAMBUTDUGMHM-CQSZACIVSA-N 417.383 4.657 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 867604 GTCQGEOMEKZRJC-UHFFFAOYSA-N 420.494 4.657 0 40 HJAB Cc1cc(N2CCN(c3ccccc3Cl)CC2)n2cc(-c3ccccc3)nc2n1 1384181 MXYNGMIPFOZVCR-UHFFFAOYSA-N 403.917 4.685 0 40 HJAB Cc1ccccc1OCc1nn(CN2CCC(C)CC2)c(=S)n1-c1ccccc1 1426192 DBRQLIXLKFWHTO-UHFFFAOYSA-N 408.571 4.980 0 40 HJAB COC(=O)c1ccccc1N1C(=O)c2ccccc2N[P@]1(=O)Oc1ccccc1 1712137 NOJHREUFNAPFSG-LJAQVGFWSA-N 408.350 4.733 0 40 HJAB O=S(=O)(NC1c2ccccc2Oc2ccccc21)c1ccc(Br)cc1 1865396 ZBBAPIKVIJVNPI-UHFFFAOYSA-N 416.296 4.623 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)c1C 2409318 MAXQGQZRVRIVSQ-UHFFFAOYSA-N 424.551 4.996 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1c1ncccn1 2424766 QGJKQUXYOCNATG-KRWDZBQOSA-N 424.243 4.640 0 40 HJAB CCc1nc(N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c2oc3ccccc3c2n1 2436654 JDZMPZXPUIBOHN-KRWDZBQOSA-N 400.438 4.528 0 40 HJAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1OC 2450956 VWGJJOJIUVMOBE-UHFFFAOYSA-N 410.543 4.630 0 40 HJAB COC[C@@H](C)n1c(SCC(=O)c2cc(C)c(C)cc2C)nc2ccccc2c1=O 2625125 VGKOPZRXPGCOAA-QGZVFWFLSA-N 410.539 4.504 0 40 HJAB CCCCc1ccc2nc(NC(=O)c3nn(CC)c(=O)c4ccccc34)sc2c1 2630808 MAJQYAQHRKUIHV-UHFFFAOYSA-N 406.511 4.621 0 40 HJAB c1ccc(-c2nnc(CSc3nnc(-c4ccccc4)n3Cc3ccco3)o2)cc1 2643101 SHBCKUYMRGQVNB-UHFFFAOYSA-N 415.478 4.929 0 40 HJAB COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)c1 2925012 ZPWRTGDKOWRURJ-UHFFFAOYSA-N 421.931 4.607 0 40 HJAB Cc1cc(C)c(C(=O)COC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1C 3430914 XCQKNDDTRXYCDK-UHFFFAOYSA-N 407.466 4.835 0 40 HJAB COCCNC(=O)CCc1c(C)c2cc3c(-c4ccccc4)coc3c(C)c2oc1=O 4089343 HDXXEBNABHTMPZ-UHFFFAOYSA-N 419.477 4.518 0 40 HJAB biogenic CCCCNC(=S)N(CCc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O 4161965 ZAMWYDJQKPSDEL-UHFFFAOYSA-N 421.610 4.810 0 40 HJAB C[C@]12C(=O)N(c3cc(Cl)ccc3O)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 4525763 HICJMHYLYSWGQD-BBLPBDBVSA-N 415.876 4.832 0 40 HJAB CC(C)n1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccccc1F 4736148 TXAWNAFGDLLTLZ-UHFFFAOYSA-N 406.433 4.674 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3c(F)cc(F)cc3Br)no2)c1 4880805 GEOMUEZVHFDVOM-UHFFFAOYSA-N 409.186 4.643 0 40 HJAB Cc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1-c1ccc(Cl)cc1)C(=O)N2 5031275 UOUMLVPVEWGGJV-UYRXBGFRSA-N 413.864 4.840 0 40 HJAB CCc1ccc(-c2n[nH]c(S[C@@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)n2)cc1 5180234 ZYGMTBAEWNTILH-LBPRGKRZSA-N 411.556 4.802 0 40 HJAB Cc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)Nc1cccc(Cl)c1 5795492 JWIYLNJUFVQJRS-UHFFFAOYSA-N 406.916 4.763 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)c1cccc(I)c1 6289095 BWNZBGKGUBHCBS-UHFFFAOYSA-N 413.258 4.811 0 40 HJAB Cc1ccnc(N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)c1 6760708 YFEVVXOECRDIAF-NRFANRHFSA-N 416.447 4.682 0 40 HJAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(C)cc2)C(=O)O)o1 7342171 ZECHBQVYAPUDFW-SXGWCWSVSA-N 402.859 4.925 0 40 HJAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(C)c(Cl)c1 7615937 RLUDYQMDTOUFFM-UHFFFAOYSA-N 409.916 4.841 0 40 HJAB COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 7735511 YLEGGMCJDPYQHK-UHFFFAOYSA-N 406.507 4.691 0 40 HJAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc(N2CCCCC2)cc1 7902540 YCXGXWCCQSLTJQ-OAHLLOKOSA-N 411.575 4.600 0 40 HJAB O=C(NCCCn1ccc2ccccc21)c1ccc(NC(=O)c2cccs2)cc1 7990414 QGLVXNYCIOHWEV-UHFFFAOYSA-N 403.507 4.775 0 40 HJAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(N2CCCCC2)cc1 8189478 QXEYTKKXSUTEAG-UHFFFAOYSA-N 409.555 4.972 0 40 HJAB CCOc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(C)cc2)cc1 8476363 FMUDBRWUQNZQRF-UHFFFAOYSA-N 404.514 4.704 0 40 HJAB O=C(CCS(=O)(=O)c1ccccc1)Nc1cccc(-c2nc3ccccc3s2)c1 8830503 BRNBEKWEYYNKAH-UHFFFAOYSA-N 422.531 4.766 0 40 HJAB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc5c(c4)OCO5)cc3)oc2cc1C 10120385 AXAOTUNFRISPOV-UHFFFAOYSA-N 400.434 4.770 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1NS(=O)(=O)c1ccccc1 10372244 VBWPKPBWXSCJLB-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccc4ccccc4c3)ccc21 10972100 SHRYWWUZCCBFSF-UHFFFAOYSA-N 418.493 4.629 0 40 HJAB COc1ccc(/N=c2/cc(-c3ccc4c(c3)OCO4)oc3ccc(O)cc23)c(OC)c1 12659279 SHZMSOOWTATCFZ-PLRJNAJWSA-N 417.417 4.784 0 40 HJAB biogenic COc1ccc([C@@H]2CCCN2C(=O)c2cccc(NC(=O)C(C)(C)C)c2)c(OC)c1 13022270 PNUZABVJJIFAMH-FQEVSTJZSA-N 410.514 4.666 0 40 HJAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 14095595 SUIDGJRXGWXMFB-JOCHJYFZSA-N 420.534 4.969 0 40 HJAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 14198944 QDMMADIAJGCNIO-IBGZPJMESA-N 413.518 4.584 0 40 HJAB O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc(Oc2ccccc2)cc1 16644217 HUIGOLUWUSOZSI-UHFFFAOYSA-N 419.462 4.962 0 40 HJAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCC)c(OC)c1 16751701 SUHGXWDGLUSJLR-NRFANRHFSA-N 407.466 4.546 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(CCCN(C)C)C3=O 16752074 APENXOQCZGNHAK-QHCPKHFHSA-N 418.537 4.722 0 40 HJAB CCn1cc([C@@H](NC(=O)Cc2ccc(OC)cc2)c2ccc(F)cc2)c2ccncc21 19524831 WAURZHUPQSHVNZ-VWLOTQADSA-N 417.484 4.652 0 40 HJAB Cc1nc([C@]2(O)CCCN(C(=O)C(C)C)CC2)sc1COc1ccc(Cl)cc1 19705250 OWBZNWPEDIVGSW-NRFANRHFSA-N 422.978 4.540 0 40 HJAB Cc1nccn1C[C@@H]1CCCN(Cc2c(-c3ccc(F)cc3)nc3sccn23)C1 19715785 BGOCFRHOGMYJJV-QGZVFWFLSA-N 409.534 4.619 0 40 HJAB CCc1nc2ccccc2n1[C@@H](C)C(=O)Nc1c(C)nn(Cc2ccc(F)cc2)c1C 19718455 HETOGFDSRJXOPV-KRWDZBQOSA-N 419.504 4.799 0 40 HJAB CC(C)(Br)C(=O)Nc1nc2ccc(OCc3ccccc3)cc2s1 20133229 UYNKFHOGDAVFHJ-UHFFFAOYSA-N 405.317 4.987 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 20901500 STWNPAXDRGCKBX-UHFFFAOYSA-N 401.791 4.748 0 40 HJAB COc1cccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)c1 21524696 PETQYQXBIKRGOL-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB CCOC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(Cc2cccnc2)C1 21670308 ONWODZLOKMXVSI-UHFFFAOYSA-N 402.450 4.818 0 40 HJAB O=C(Nc1nnc(-c2ccco2)s1)c1ccc(SCc2cscn2)cc1 24926644 CELCPDMRFPGONO-UHFFFAOYSA-N 400.510 4.799 0 40 HJAB COc1ccc(Cc2nc(-c3ccc4c(c3)C[C@H](C)N4C(C)=O)cs2)cc1OC 26981400 XAZSVBQYOXDKFC-AWEZNQCLSA-N 408.523 4.716 0 40 HJAB C[C@H](Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1nc(C(C)(C)C)no1 26984156 SKVLWLFBCIDSSO-IBGZPJMESA-N 419.573 4.862 0 40 HJAB CSc1ncc(Cl)c(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCCC2)n1 28287657 NUPKPSKTMSYPCY-GOSISDBHSA-N 418.994 4.507 0 40 HJAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc(OCc2cn3ccccc3n2)cc1 29352932 BYHMUJRIFPKKAC-UHFFFAOYSA-N 415.478 4.617 0 40 HJAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccccc1SCc1ccsc1 30065528 LNGWIELDCOYWSQ-UHFFFAOYSA-N 424.547 4.795 0 40 HJAB Cc1ccc(Cn2ncc3c2N=C(O)C[C@@]32C(=O)N(CC(C)C)c3ccccc32)cc1 32093328 JTECBWKIRAQZKA-VWLOTQADSA-N 414.509 4.520 0 40 HJAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 32622311 HQVSIJIMKIMUNO-INIZCTEOSA-N 415.449 4.818 0 40 HJAB CSCC[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1nc2ccccc2[nH]1 32823612 VBDXGSNACCROHJ-SFHVURJKSA-N 413.930 4.603 0 40 HJAB O=C(Cc1csc(-c2ccccc2Cl)n1)NCc1ccccc1Cn1ccnc1 32860061 VLVXWRBIYRMUSJ-UHFFFAOYSA-N 422.941 4.567 0 40 HJAB CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3F)C(O)=NC2=S)cc1 34888045 HJDNLCOOEDHYNB-NBVRZTHBSA-N 419.481 4.850 0 40 HJAB O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 38756257 BQOWYRXPWKBKMH-UHFFFAOYSA-N 413.345 4.715 0 40 HJAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1 40086818 NWNMXYXGCCHSHF-KRWDZBQOSA-N 418.493 4.756 0 40 HJAB COc1ccc(CN(C)C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1 40129472 KXAQVXTVDISLEZ-UHFFFAOYSA-N 406.530 4.653 0 40 HJAB CC1CCN(Cc2ccc(CNC(=O)CCCCC(=O)c3ccccc3)cc2)CC1 48286425 HDYHDMWMFRJHJA-UHFFFAOYSA-N 406.570 4.978 0 40 HJAB CCOc1ccccc1Cn1cc(-c2cnn(Cc3ccccc3OCC)c2)cn1 49574111 PJEWEPJZLLYDSP-UHFFFAOYSA-N 402.498 4.641 0 40 HJAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN[C@H](C)c2ccccc2)cc1 57315208 WYEKGKARFDMDHV-GOSISDBHSA-N 417.509 4.627 0 40 HJAB O=C(CSc1cccc2cccnc12)Nc1ccc(I)cc1 59211398 RLFXGANXATWPEX-UHFFFAOYSA-N 420.275 4.570 0 40 HJAB O=C(Nc1nnc(SCc2c(F)cccc2Cl)s1)c1cc(C2CC2)on1 70635118 NOXXZJKLBHPKPU-UHFFFAOYSA-N 410.883 4.741 0 40 HJAB Cc1ccc2cc([C@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)O)c(Cl)nc2c1 95532176 OGHPEAGNESAFNZ-HXUWFJFHSA-N 421.884 4.739 0 40 HJAB O=C(NCc1nn(C2CCCC2)c2c1CCCC2)c1ccccc1Br 96099229 LBKABLUOXVLGTL-UHFFFAOYSA-N 402.336 4.570 0 40 HJAB C[C@]12C[C@@H](NC(=O)N1c1ccc3c(c1)OCCO3)c1cc(Cl)cc(Cl)c1O2 100890677 CACPIVVJRZXDNT-KUHUBIRLSA-N 407.253 4.534 0 40 HJAB O=C1/C(=C/Nc2ccccn2)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 102944307 MJZUWRGJGWWRNG-DTQAZKPQSA-N 409.367 4.740 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccccc3OCc3ccccc3)n2)cc1 218988596 YEOYZTHVYYDMKZ-UHFFFAOYSA-N 413.477 4.896 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 222940560 QKLCGMFVFXYRJA-JOCHJYFZSA-N 414.977 4.647 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 223022064 XZKBKNOYJMTMDY-IBGZPJMESA-N 402.922 4.973 0 40 HJAB C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc2c(c1)CCC2 223206632 SMGJBRSPQZSQBV-GFCCVEGCSA-N 408.723 4.847 0 40 HJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCC1(c2ccccc2)CCOCC1 223259342 KELSTUSZOQEPSN-QHCPKHFHSA-N 403.522 4.862 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OC(C)C)c(OC)c1 223410613 PLNJTWZMKWEFRS-QFIPXVFZSA-N 411.542 4.835 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 223718805 OCRQVGZPYRYYNB-QHCPKHFHSA-N 408.586 4.611 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3ccccc3C)ccc2C)cc1 224304461 KTHVPEQMUAYWSK-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 224395304 BLEHLTUTBJBXAM-FGZHOGPDSA-N 418.497 4.841 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccco2)N1c1ccc(Br)cc1 224483286 DCWXVKGRPFRGOS-DLBZAZTESA-N 400.301 4.614 0 40 HJAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224630582 VTMFWMKABVPYEZ-HXUWFJFHSA-N 421.368 4.522 0 40 HJAB CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224961011 WRHKMVNAXJQBOP-UHFFFAOYSA-N 418.740 4.635 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 225013943 WTECDBPWTGUCFR-PMACEKPBSA-N 412.599 4.728 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1F 225098870 VENZLNKODGLZHQ-XMMPIXPASA-N 424.560 4.933 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 225115883 GGPLMTIHVNQOAC-FGZHOGPDSA-N 424.585 4.794 0 40 HJAB C[C@@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NCCCc3ccccc3)n2)C1 225967017 JNPICUFAMPOOJI-HZPDHXFCSA-N 418.010 4.532 0 40 HJAB O=C(NC1CCCCCCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 408620180 NFVYSCNJDLATMI-UHFFFAOYSA-N 420.962 4.984 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 408673928 WDLOJUGAKCVEFD-NPFVIJTESA-N 418.537 4.989 0 40 HJAB Cc1cccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)c1 409013249 TUCYGTIWGOHTQX-OEAKJJBVSA-N 416.452 4.806 0 40 HJAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccc(Cl)cc3)c2)o1 409179931 QCLWNHQTKWWEFE-UHFFFAOYSA-N 418.232 4.861 0 40 HJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cnc(O)c2ccccc12 558641877 QYGJNUSKSORSGG-UHFFFAOYSA-N 410.433 4.745 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 1221531462 SDJSYOYQLWWZSJ-AJYBTWMASA-N 407.549 4.799 0 40 HJAB Cc1nccc(NCc2cccc(C(=O)N3[C@H](C)Cc4cc(F)ccc4[C@H]3C)c2)n1 1596409111 INEAAMOBFKFNJY-HZPDHXFCSA-N 404.489 4.684 0 40 HJAB COc1ccc(N2C(=O)C(Sc3ccc(C)cc3)=C(N3CCC[C@H](C)C3)C2=O)cc1 936517 WPRJQYOCYHIGHC-KRWDZBQOSA-N 422.550 4.613 0 40 HJAB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1OCC 944577 ZDGKWOYUJOPNFV-WYMLVPIESA-N 411.498 4.803 0 40 HJAB COc1ccc(NC(=O)c2sc3nc(-c4cccc(OC)c4)ccc3c2N)cc1 1305820 VWTDTAZWTLDYMO-UHFFFAOYSA-N 405.479 4.815 0 40 HJAB Cc1cc(OC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c2c(C)cc(=O)oc2c1 2092213 LUTWLQPXRMVMTL-OAQYLSRUSA-N 423.465 4.581 0 40 HJAB biogenic O=S(=O)(c1cccc(-c2csc(-c3ccc(Cl)cc3)n2)c1)N1CCCC1 2361479 DUWDYTOSQOOKGP-UHFFFAOYSA-N 404.944 4.915 0 40 HJAB COCCCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 2415293 ZWGUZTIURYRSRE-UHFFFAOYSA-N 414.575 4.738 0 40 HJAB Clc1ccc(-n2ncc3c2ncn2c(Cc4cccc5ccccc45)nnc32)cc1 2418026 RWOGCRPTZDGOND-UHFFFAOYSA-N 410.868 4.861 0 40 HJAB CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)c1 2422696 FQBAEOVLFOGBID-LJQANCHMSA-N 418.474 4.706 0 40 HJAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cc1 3458915 IIDDEGYFBDQGQL-SNVBAGLBSA-N 407.854 4.657 0 40 HJAB C[C@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)[C@@H](C)C1 4164400 RITNIPPOVKZPDM-KMCQBPLKSA-N 406.452 4.804 0 40 HJAB COC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1CC(C)(C)NC2(C)C 4275276 ZGQLGZXHOSICKL-UHFFFAOYSA-N 400.544 4.563 0 40 HJAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 4672217 SQILBCLFGUCPLM-XMMPIXPASA-N 405.881 4.656 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)N(C(=O)C(C)(C)C)c3ncnn32)cc1 4732810 CSZNTWZPGUTEAR-RTWAWAEBSA-N 404.514 4.709 0 40 HJAB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C(C)C)cc1 4816698 CZHHCKIHBOYPHG-WOJBJXKFSA-N 410.905 4.664 0 40 HJAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccccc2OC)C[C@@H]1c1ccc(OC)cc1 4816998 BLEBZGPLOOWERG-NHCUHLMSSA-N 420.513 4.553 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccoc1C 4860659 GVHUDYJXTSWMNB-UHFFFAOYSA-N 410.421 4.616 0 40 HJAB CCc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)n2)cc1 5293974 GGDAXEBTLRKSBQ-KRWDZBQOSA-N 411.552 4.677 0 40 HJAB CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(Br)cc3)n2)cc1 7109559 INYOKYUASLFUJZ-UHFFFAOYSA-N 409.330 4.611 0 40 HJAB O=C(CN1C(=O)CS/C1=C\c1nc2ccccc2s1)c1cc2ccccc2o1 7158096 WFZVHUZWMYAIDA-FBHDLOMBSA-N 406.488 4.799 0 40 HJAB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccccc1C(C)C 7495245 JYGVTEGHJBFVED-KGENOOAVSA-N 419.525 4.622 0 40 HJAB O=C(CSc1ccc2c(c1)OCCO2)N1c2ccccc2OC[C@@H]1c1ccccc1 7735581 BSWZQQRDBDKSKK-HXUWFJFHSA-N 419.502 4.717 0 40 HJAB COc1ccc(-c2noc(CCCCCNC(=O)c3ccc(Cl)cc3F)n2)cc1 7845443 AKXIXZVNJZBUDT-UHFFFAOYSA-N 417.868 4.681 0 40 HJAB O=C(CSc1nc2ccccc2o1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 8132154 YMBHPIFFEOSNRY-OAHLLOKOSA-N 409.492 4.952 0 40 HJAB CCc1cc2c3c(c1)[C@@]1(SCC(=O)N1c1ccc(F)cc1)C(=O)N3C(C)(C)C=C2C 8559998 HUFLQRGHXWNLCG-XMMPIXPASA-N 422.525 4.863 0 40 HJAB Cn1nc(-c2cccs2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccccc1 8635844 YPXAUQTVOZZFGF-UHOSZYNNSA-N 422.554 4.575 0 40 HJAB biogenic,in-vitro COc1cc(NC(=O)C2CCN(Cc3ccccc3C)CC2)c(OC)cc1Cl 9062970 SWACRVGGLUNTTK-UHFFFAOYSA-N 402.922 4.516 0 40 HJAB O=c1oc2ccccc2cc1-c1csc(Nc2nc3cc4c(cc3s2)OCO4)n1 9381971 XPFGCZBAZGJBRA-UHFFFAOYSA-N 421.459 4.999 0 40 HJAB C[C@H](Sc1nnnn1Cc1cccs1)C(=O)Nc1ccccc1-c1ccccc1 9835096 LPRJQOZGTJQRHR-HNNXBMFYSA-N 421.551 4.569 0 40 HJAB CS(=O)(=O)c1ccccc1C(=O)N(Cc1ccccc1)c1nc2ccccc2s1 10187489 CBIQRXRLSMDPDH-UHFFFAOYSA-N 422.531 4.547 0 40 HJAB O=C(Nc1ccccc1)c1ccc(CSc2nnc(N3CCCC3)n2C2CC2)cc1 11378639 BDNJTXONLSOIIZ-UHFFFAOYSA-N 419.554 4.758 0 40 HJAB COc1ccc(CN(Cc2[nH]c3ccccc3c2C)C[C@H]2CCCO2)c(OC)c1OC 12187005 SENUVFBVUYYHDB-LJQANCHMSA-N 424.541 4.683 0 40 HJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NCc2ccc(F)cc2)cc1 12419403 PIJOSMWCQAIBJW-UHFFFAOYSA-N 412.442 4.827 0 40 HJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc(NC(=O)c2ccco2)cc1 12535383 HEQDHRFBTAADEB-UHFFFAOYSA-N 424.407 4.549 0 40 HJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(OC)c(OC)c1 12599924 GAOCZBCGCWRSGE-UHFFFAOYSA-N 411.479 4.861 0 40 HJAB CCCCOCCCNC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1 12692352 OVHHORGRFVMUOQ-UHFFFAOYSA-N 409.505 4.923 0 40 HJAB CCc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3cccc(C)c3C)cs2)cc1 12783820 CEYDIXKSCNNTQF-UHFFFAOYSA-N 407.539 4.700 0 40 HJAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(F)cc3Br)n2)C1 12793542 RLGFRBOZABPVDM-LLVKDONJSA-N 412.328 4.529 0 40 HJAB CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1OC 12795910 CPSLFLJTMTYYJQ-UHFFFAOYSA-N 405.376 4.551 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12808707 AIXZCZOOIYSTIH-UHFFFAOYSA-N 415.415 4.784 0 40 HJAB Cc1nc(COc2cccc(C(=O)NCc3ccccc3OC(F)(F)F)c2)cs1 12905925 UIHYOTZPSBHTMI-UHFFFAOYSA-N 422.428 4.859 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)c(C)c3)C2)c2ccccc12 12995587 DRPUDAQXKUFCML-LJQANCHMSA-N 416.521 4.956 0 40 HJAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccoc1COc1ccc(Cl)cc1 13608914 LHHRJRLFIHNHHE-UHFFFAOYSA-N 422.868 4.626 0 40 HJAB CN(C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 13668799 RVUAAWTXMBSADZ-XMMPIXPASA-N 402.519 4.737 0 40 HJAB Cc1cc(C)n2c(nc3ccccc32)c1-c1nn2c(-c3cccs3)nnc2s1 13720649 ZRLPYQMRAHUCEM-UHFFFAOYSA-N 402.508 4.999 0 40 HJAB O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(-c2cccc(F)c2)o1 16399183 DGMKYYRHWCYTLF-UHFFFAOYSA-N 400.837 4.828 0 40 HJAB COc1ccc(C)cc1CN1CCC([C@H](NC(=O)C(C)(C)C)c2nccs2)CC1 19133332 NCXXANOICHALHA-FQEVSTJZSA-N 415.603 4.576 0 40 HJAB CN(Cc1ccsc1)C(=O)CSc1ncc(-c2ccc(Br)cc2)[nH]1 19355459 PZLYHGUYYXONGT-UHFFFAOYSA-N 422.373 4.651 0 40 HJAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)Cc2ccc(C)cc2)n1 19525646 OBQAYPCKKOSQHE-NRFANRHFSA-N 418.541 4.916 0 40 HJAB Cc1nc([C@@]2(O)CCCN(CC(C)C)CC2)sc1CCOc1ccc(F)c(F)c1 19705447 SUOYXELUEFGFAM-JOCHJYFZSA-N 424.557 4.681 0 40 HJAB COc1cccc(C(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)c1 20274087 QQZYVNVTOZOVOF-FQEVSTJZSA-N 419.868 4.918 0 40 HJAB CCn1c(C)c(C(=O)N2CCc3[nH]c4ccc(OC)cc4c3C2)c2cc(OC)ccc21 20762326 JAIRNBKFHPOLLS-UHFFFAOYSA-N 417.509 4.667 0 40 HJAB biogenic CCC[C@H](C)NC(=O)COC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 23580263 JDNQFYULNIFBNB-RZKQZQCBSA-N 417.452 4.677 0 40 HJAB Cc1occc1-c1nnc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)n1C 25061055 GSKITVHPWDZGSZ-UHFFFAOYSA-N 421.404 4.745 0 40 HJAB CC(C)c1noc([C@@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)n1 27776504 AFKMTEIEWZMXAU-OLZOCXBDSA-N 405.549 4.545 0 40 HJAB Cc1ccc(-c2noc(COc3ccccc3C(=O)NCC3CCCCC3)n2)cc1 32579139 RXCFHAWGLXOCCK-UHFFFAOYSA-N 405.498 4.934 0 40 HJAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc2c(c1)OC1(CCCCC1)O2 32854828 VRCZDESYYBEXOZ-UHFFFAOYSA-N 411.483 4.801 0 40 HJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4Cc5cc(C)cc(O)c5[C@]4(C)C(=O)C[C@H]32)C1 33714043 WMRIDQKUHHKMSD-YSBULBLGSA-N 410.554 4.868 0 40 HJAB COc1cc(C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)ccc1C 36394475 FSMGCDQWHBQGRR-NRFANRHFSA-N 403.457 4.664 0 40 HJAB COc1cc(NC(=O)Nc2nc3c(C)ccc(Cl)c3s2)cc(OC)c1OC 36709366 RJGCXKCXPJWNHO-UHFFFAOYSA-N 407.879 4.928 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(COc2cccc(Br)c2)o1 40140045 VDRHFLIQPPHOEU-UHFFFAOYSA-N 416.227 4.602 0 40 HJAB O=C(c1cccc(NS(=O)(=O)c2cccs2)c1)N1CCC[C@@H]1c1ccsc1 40154676 LTNVARRZQCIOAB-QGZVFWFLSA-N 418.565 4.588 0 40 HJAB O=C(Nc1nn2c(-c3ccc(Cl)cc3)nnc2s1)c1ccccc1C(F)(F)F 41076531 AEVWAJJBLHAKPW-UHFFFAOYSA-N 423.807 4.777 0 40 HJAB CC(C)n1ncc2c(C(=O)Nc3ccnn3C3CCCC3)cc(-c3ccco3)nc21 58296905 KPPFXWXWEARCHM-UHFFFAOYSA-N 404.474 4.836 0 40 HJAB COc1cc(C(=O)Nc2cccc3c2ccn3Cc2ccccc2)cc(OC)c1OC 61720697 JOIWQDZDETVAPK-UHFFFAOYSA-N 416.477 4.968 0 40 HJAB Cc1nc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C(C)C)sc1C 72191722 PHSGJKGVDXBBFZ-UHFFFAOYSA-N 421.979 4.984 0 40 HJAB O=C(c1c(O)cc(F)cc1F)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 72311485 CBCVHAVPJGRMLO-MRXNPFEDSA-N 403.816 4.691 0 40 HJAB O=C(c1cn[nH]c1-c1cccc(Br)c1)N1CCC(Cc2ccccc2)CC1 72328677 FAONGZGPPLTXGV-UHFFFAOYSA-N 424.342 4.934 0 40 HJAB COc1cccc([C@@H]2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)c1 89632091 IEKNDCLJILSAOZ-DEOSSOPVSA-N 420.534 4.852 0 40 HJAB CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCN(C)C[C@@H]2c2ccccc2)cs1 89633319 UYFWCWJCQVDDDO-HSZRJFAPSA-N 420.582 4.625 0 40 HJAB C[C@@H]1CCC[C@@H](n2c(SCc3cccc(C(N)=O)c3)nc3ccccc3c2=O)[C@@H]1C 95349920 UBPMOCMOHRLGNE-WHSLLNHNSA-N 421.566 4.785 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 222753772 OGTRMPCVCMPRBJ-FQEVSTJZSA-N 421.368 4.868 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 222807584 GTWZZKWSVYJWDM-SFHVURJKSA-N 414.977 4.913 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 222905143 XDANYLOOMPDGNJ-OAHLLOKOSA-N 421.368 4.868 0 40 HJAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 223347592 OTEQJVWDQGZWHM-XMMPIXPASA-N 400.522 4.729 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 223807717 CEYBIVZRIGWMMH-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](c1ccccc1)c1cccc(C)c1 224311921 ZTRYMKRCPVNODQ-NRFANRHFSA-N 401.915 4.725 0 40 HJAB CCCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 224963310 VOZLBZCKCQZQGM-HSZRJFAPSA-N 410.533 4.625 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 225085721 NOERQWJLPPHPLJ-RBUKOAKNSA-N 414.977 4.913 0 40 HJAB O=C(N1CCC(Cc2cccc3cccnc23)CC1)C1(c2ccccc2)CCOCC1 257280492 OLBXVMRRZTXYRY-UHFFFAOYSA-N 414.549 4.764 0 40 HJAB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 408668318 VYBKDROCJPCAGN-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CCc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccncc2)cc1 409105316 MQZGUCZQPCEXAM-UHFFFAOYSA-N 415.522 4.623 0 40 HJAB CCc1csc([C@H]2CCCN(CCN3CCC[C@H](c4nc(CC)cs4)C3)C2)n1 514098192 BZNZJHDBAJELJW-ROUUACIJSA-N 418.676 4.783 0 40 HJAB Cc1cc(C)c(C)c(Cn2c(CCNC(=O)CCC[C@H](C)O)nc3ccccc32)c1C 575442907 WWEARXSVJFFPQN-IBGZPJMESA-N 421.585 4.528 0 40 HJAB Cc1cccc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)nc(C)n2)n1 585292849 STLMPMPNUZPCJE-QZMUEMGWSA-N 413.525 4.651 0 40 HJAB COC(=O)C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccc(C(F)(F)F)cc1 1637004469 BVZLOMYHXSWSAF-INIZCTEOSA-N 424.806 4.874 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2C)c(C)c1 687545 WZWFLFZCMIRGGY-KRWDZBQOSA-N 410.543 4.611 0 40 HJAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cccc(C(C)=O)c3)c2c1 952876 FJSYTGSPPKHUGB-UHFFFAOYSA-N 406.438 4.534 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 1457817 OTNTWDSJPWQGAX-JOCHJYFZSA-N 424.972 4.674 0 40 HJAB CCc1ccc(OCCCC(=O)Nc2ccc(I)cc2C)cc1 1773464 DZLNGKDBAPASKX-UHFFFAOYSA-N 423.294 4.960 0 40 HJAB CC[C@H](C)COC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 2394105 JIKVYQSEVPLFKT-AWEZNQCLSA-N 402.498 4.976 0 40 HJAB CN(C)c1ccc([C@@H](O)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 2439012 SHTXJBNMQKJCIG-MUAVYFROSA-N 416.502 4.762 0 40 HJAB Cc1c(F)cccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 2446322 YWCWZGKBADWBKJ-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3cccs3)c3cc(Cl)ccc32)cc1 2493139 IJULUJMRELJESK-JOCHJYFZSA-N 411.910 4.717 0 40 HJAB CCCCCCn1nc(C(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2c1=O 3245501 YDQRTTJAZYCMGS-JOCHJYFZSA-N 403.526 4.784 0 40 HJAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1ccc(Cl)cc1F 3336271 OJYZMNFJRKCZCM-UHFFFAOYSA-N 400.624 4.747 0 40 HJAB O=C(COC(=O)c1ccc(F)cc1Cl)Nc1ccc(Cl)cc1C(F)(F)F 3447766 ARTOAWPRUPRTIP-UHFFFAOYSA-N 410.150 4.947 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1c[nH]c2ccccc12 4138529 YZOPRAOSGZFHDR-UHFFFAOYSA-N 405.527 4.794 0 40 HJAB COc1cc(C=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4668648 DIFMYDIKUBMIOJ-UHFFFAOYSA-N 419.521 4.993 0 40 HJAB CC(=O)O[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Br)cc2)c2ccc(C)cc21 4742658 AULWGLLOQORMQI-BFUOFWGJSA-N 402.288 4.801 0 40 HJAB CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cccc(OC)c2)cc1 6048245 DRLBDFQRRLHODF-UHFFFAOYSA-N 411.498 4.573 0 40 HJAB CCCN(CC1CC1)C(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 6607175 PTSKMQVLOIRNOG-UHFFFAOYSA-N 421.493 4.817 0 40 HJAB Cc1cccc2nc(CSc3nnc(-c4ccco4)n3C3CCCCC3)cc(=O)n12 7090507 BEOQRBZQLYUUPU-UHFFFAOYSA-N 421.526 4.652 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)COc1ccc(Cl)c2ccccc12 8100585 MMAUEVHEDJHHCH-UHFFFAOYSA-N 410.901 4.586 0 40 HJAB Cc1ccc(C)c(Sc2ccc(NC(=O)COc3ccccc3C(N)=O)cc2)c1 8394891 VCQBINZWLVAHQX-UHFFFAOYSA-N 406.507 4.571 0 40 HJAB COc1ccccc1-c1noc(CSc2nnc(-c3ccccc3F)n2C2CC2)n1 9729754 MUUMHULQUWGURQ-UHFFFAOYSA-N 423.473 4.770 0 40 HJAB CN(Cc1cccs1)C(=O)/C=C/c1ccc(OCc2cn3ccccc3n2)cc1 9835423 BTBXVCRAUIBMPW-FMIVXFBMSA-N 403.507 4.647 0 40 HJAB CC(C)[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1ccc(C2CCCCC2)cc1 12870011 OEWRNDFKBNWQRK-VWLOTQADSA-N 417.553 4.958 0 40 HJAB Cc1cc(C(=O)COc2cccc(N3CCCC3=O)c2)c(C)n1Cc1cccs1 12910833 FMCJIDMQYCQRNT-UHFFFAOYSA-N 408.523 4.603 0 40 HJAB CCCCCn1c(CCCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 13030816 STWAPCVPUPRWJJ-UHFFFAOYSA-N 409.530 4.606 0 40 HJAB CC[C@@H](C(=O)Nc1ccc2ccccc2c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714179 FXTALNWQEKCCJR-FQEVSTJZSA-N 416.930 4.677 0 40 HJAB O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@H](c1ccco1)N1CCCC1 14246497 DRLVSDWLVVMTLZ-GOSISDBHSA-N 415.946 4.552 0 40 HJAB O=C(COc1ccc(Oc2ccccc2)cc1)NC1CCN(Cc2ccccc2)CC1 14261244 UVWATLJGESIBNZ-UHFFFAOYSA-N 416.521 4.639 0 40 HJAB O=C1c2ccccc2CC[C@H]1[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 15081779 KGRYFFCIRSPHFM-BWKNWUBXSA-N 417.892 4.520 0 40 HJAB Cc1cc(C)cc(N(C(=O)Cn2c(C)csc2=O)c2nc3ccccc3s2)c1 17342134 HKIVYRZJVUCXRP-UHFFFAOYSA-N 409.536 4.810 0 40 HJAB Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18113815 KHHCYVQXMCAFRN-FKBYEOEOSA-N 418.880 4.700 0 40 HJAB COc1ccc([C@@H]2CN(C(=O)C3CCCC3)[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 19557339 CQZVQJWERBGZCV-GSDHBNRESA-N 418.581 4.702 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c(C)c1 20453865 TXEMTOJCXVFYLB-LJQANCHMSA-N 422.550 4.620 0 40 HJAB CCCOc1ccc2ccccc2c1CN(C)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 22291493 WOCUVPSCIGWVAR-HXUWFJFHSA-N 420.484 4.852 0 40 HJAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(OCC)c(OCC)c2)c(Cl)c1 22526551 CSXXIFPYUQHUII-UHFFFAOYSA-N 419.905 4.885 0 40 HJAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cc3ccccc3nc2Cl)C1=O 23261904 UMWFONUWHOQLTC-OAQYLSRUSA-N 414.292 4.899 0 40 HJAB Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccccc3)N3CCOCC3)sc2c1 28290142 RRMRJVANZCFWDW-GOSISDBHSA-N 414.958 4.666 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1nc2ccccc2[nH]1 28647244 NXUZCGRROCVAPZ-UHFFFAOYSA-N 400.269 4.675 0 40 HJAB Cc1ccc(F)cc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 28786890 ZCKTVYXGIJBKLA-UHFFFAOYSA-N 419.481 4.564 0 40 HJAB CNC(=O)c1ccc(/C=C/C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 32755317 AJAYLRCBKDJPBW-FMIVXFBMSA-N 400.434 4.606 0 40 HJAB COc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccc(F)cc4)n3)c2)cc1 33327329 UHRWDRBABQEEIX-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB Cc1cccc(CN2CCC(C(=O)NCCSCc3ccccc3Cl)CC2)c1 39762757 GOZJOHOSVCMXQN-UHFFFAOYSA-N 417.018 4.910 0 40 HJAB COCCOc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 40089350 HCUYIMMVZSLWQA-UHFFFAOYSA-N 407.495 4.673 0 40 HJAB C[C@@H](c1nnc(S[C@H](C)c2nc(C(C)(C)C)no2)n1-c1ccc(F)cc1)N(C)C 44089196 RWBIHNNLVWJSCX-QWHCGFSZSA-N 418.542 4.563 0 40 HJAB C[C@H]1c2ccsc2CCN1C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 49581381 AFJYENDFSFYNKZ-HKUYNNGSSA-N 418.562 4.899 0 40 HJAB Fc1ccc([C@H]2CN(Cc3cc(Br)ccc3OC(F)F)CCO2)cc1 58014203 CREMAIYRLMOVDZ-QGZVFWFLSA-N 416.237 4.763 0 40 HJAB Cc1ccccc1-n1c(=O)c2sccc2n(Cc2ccc(C(C)(C)C)cc2)c1=O 67258042 GPUXLSFIFVUDNV-UHFFFAOYSA-N 404.535 4.868 0 40 HJAB Clc1cccc(OCCN(CCOc2cccc(Cl)c2)CCn2cccn2)c1 70011497 TWBDHNNLEXIICE-UHFFFAOYSA-N 420.340 4.650 0 40 HJAB Cc1ccc(Nc2nccc([C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)nc1 72377540 YYKJXBHHRDODNJ-QGZVFWFLSA-N 407.905 4.597 0 40 HJAB O=C(CSc1nc2ccccc2c2nc(-c3ccsc3)nn12)N1CCCCCC1 89872970 OZNXCCUONNYKDW-UHFFFAOYSA-N 423.567 4.501 0 40 HJAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3[C@H]2CCOC(C)(C)C2)cc1OC 95474591 LHBKRXUQNARFBE-KBXCAEBGSA-N 417.531 4.622 0 40 HJAB CC(C)C[C@@H]1[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]2ON1c1ccccc1 101041694 KAEVMPMHCQRLOG-AOIWGVFYSA-N 419.308 4.718 0 40 HJAB C[C@@]12CC3CC(C(=O)N4CCN(Cc5cccc(Cl)c5)CC4)(C1)C[C@@](C)(C3)C2 102629590 KDLXEHZHJJWOSJ-TWBNOGFQSA-N 400.994 4.981 0 40 HJAB COc1ccccc1[C@@H]1Nc2nonc2N=C2C[C@@H](c3ccc(F)cc3)CC(O)=C21 102839046 JOYAOJMRORJKQS-XCLFUZPHSA-N 406.417 4.846 0 40 HJAB COC(=O)c1cn(C(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12 222625174 KFIHMJCDDXTZIY-UHFFFAOYSA-N 410.901 4.634 0 40 HJAB Cc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222773658 VAPDLZUHUDVFRJ-FQEVSTJZSA-N 424.585 4.829 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 222829884 CBSDGQYEKRFTPU-HNNXBMFYSA-N 407.341 4.827 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(CC)cc1 223643715 VKFRIYHXMSXBSJ-XMMPIXPASA-N 424.585 4.660 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 223653162 ABWUCPFFQYGRFN-HSZRJFAPSA-N 424.585 4.714 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 223759853 BPZSPORFMFPCEG-KRWDZBQOSA-N 418.990 4.517 0 40 HJAB COc1ccc(CSCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 223911751 DHZLGNBSERWRCF-UHFFFAOYSA-N 405.932 4.739 0 40 HJAB CCOC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc2ccccc2c1 225055075 NZZHTYDUMPSIPR-UHFFFAOYSA-N 417.914 4.560 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225714661 UZIVCLCVJNZNJE-HSZRJFAPSA-N 410.558 4.521 0 40 HJAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 225901057 ABWVONLBYQGXMU-FUHWJXTLSA-N 413.359 4.639 0 40 HJAB COc1ccccc1-c1cccc(C(=O)N(CC(=O)O)Cc2ccccc2Cl)c1 257253418 JYXGEIIEJKHGMR-UHFFFAOYSA-N 409.869 4.743 0 40 HJAB O=C(c1ccc2ccccc2n1)N1CCC[C@@]2(C[C@@H](Oc3cccc(Cl)c3)CO2)C1 257338051 YVOWAFVOWNLQBP-HYBUGGRVSA-N 422.912 4.731 0 40 HJAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 408558845 KLKYXLHTJARIOI-UHFFFAOYSA-N 412.467 4.848 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(OC(C)C)c2)cc1 408630062 MWKVTCKLHCIULS-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB O=C(NCCc1ccccc1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409063045 GAZQBDMMUMXGEC-UHFFFAOYSA-N 412.533 4.565 0 40 HJAB Cc1ccc(COc2ccccc2/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1 409088110 DFEDQVBWECMJRX-QNGOZBTKSA-N 406.551 4.964 0 40 HJAB O=C(Nc1ccc(F)cc1Cl)N[C@@H]1CCN(c2ccccc2Br)C1 523594615 WOSRPUANTKDYTK-GFCCVEGCSA-N 412.690 4.642 0 40 HJAB C[C@H]1CN(C(=O)C2(C(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)CCC2)[C@H]1c1ccccc1 531633294 YUCRTIOQZXIUSM-IYRWYFENSA-N 402.538 4.596 0 40 HJAB Cn1c([C@H]2CCCN2C(=O)C[C@H](c2ccsc2)n2cccc2)nc2ccccc21 575443389 VMUBZVKHKKEQBP-NHCUHLMSSA-N 404.539 4.780 0 40 HJAB O=C(NCC1(c2ccccc2Cl)CC1)c1cccc(-c2noc(C(F)(F)F)n2)c1 1536321563 XFTKTOMHDIVKEX-UHFFFAOYSA-N 421.806 4.870 0 40 HJAB O=c1oc2ccc(Cl)cc2cc1-c1nnc(-c2ccccc2Br)o1 846025 DZIIIANKFNGQBW-UHFFFAOYSA-N 403.619 4.926 0 40 HJAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4)C(=O)N32)cc1 1071013 RRNYXZXVIKHUQD-LADGPHEKSA-N 423.472 4.659 0 40 HJAB Cc1ccc(-c2nsc3c(SCC(=O)NCc4cccs4)ncnc23)cc1 1358718 QPYYUBIPSBZNGG-UHFFFAOYSA-N 412.565 4.532 0 40 HJAB Cc1ccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1C 2250049 PNTVZGHBFMFNLK-UHFFFAOYSA-N 402.498 4.976 0 40 HJAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(Br)c(C)c1)C3 2413016 LKFMPCPICLJLEY-UHFFFAOYSA-N 400.272 4.783 0 40 HJAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1cccc(C(F)(F)F)c1 2713235 RECDBOWWCSPHNZ-UHFFFAOYSA-N 414.309 4.866 0 40 HJAB C[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 3134700 LGZUNRPCLBOXCM-SECBINFHSA-N 406.187 4.937 0 40 HJAB Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2S[C@@H](C)C(N)=O)c(C)c1 3430482 MFNGPYFNIXMBIS-KRWDZBQOSA-N 416.550 4.594 0 40 HJAB CSc1nn(-c2ccc(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc2)c(=S)s1 3446417 WHWADCPXNZJGND-LBPRGKRZSA-N 416.549 4.813 0 40 HJAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCc3cccc(F)c3)c(C)c12 4089619 DHQHIJBKOYUDNE-UHFFFAOYSA-N 407.441 4.505 0 40 HJAB biogenic CCCN1C(=O)N(c2ccc(C)cc2)[C@H](N(O)C(=O)Nc2ccc(C)cc2)C1(C)C 4732467 IXKDMZJIZKTBQZ-HXUWFJFHSA-N 410.518 4.983 0 40 HJAB CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 4847989 UTGNJENWGQDJGZ-JOCHJYFZSA-N 416.562 4.859 0 40 HJAB CCCCn1c(SCC(=O)Nc2cccc(Cl)c2C)nc2ccccc2c1=O 5014165 IQBSNIGSKDGSDH-UHFFFAOYSA-N 415.946 4.889 0 40 HJAB Cc1nc2ccc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)cc2s1 6601737 FYCDYBIEOBXQCT-UHFFFAOYSA-N 407.495 4.970 0 40 HJAB CCOc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(C)cc32)cc1OCC 6601874 OROVKMMAAWQTRI-UHFFFAOYSA-N 400.482 4.621 0 40 HJAB CC(=O)c1ccc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1 6624306 CQLLVHLOYJVYKH-UHFFFAOYSA-N 403.434 4.848 0 40 HJAB biogenic O=C(CSc1nc2ccccc2o1)Nc1ccc(-c2cn3ccsc3n2)cc1 8280447 KKCLHWKHLGLIQP-UHFFFAOYSA-N 406.492 4.935 0 40 HJAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)N(CC)C(=O)C(C)(C)CO3)cc1 8959433 SOFQLEIFZDJKHO-UHFFFAOYSA-N 410.514 4.889 0 40 HJAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1ccccc1C(F)(F)F 9036448 VHQNQKBBCWWYAX-UHFFFAOYSA-N 414.383 4.749 0 40 HJAB CCOC(=O)c1ccc(Nc2nc(Nc3cc(C)ccc3C)c3nccnc3n2)cc1 9075047 LFHZNJCZEJOTBV-UHFFFAOYSA-N 414.469 4.701 0 40 HJAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2Cl)C[S@](=O)C3)cc1 9413668 ZYJVKIQYUMDGDA-HHHXNRCGSA-N 420.321 4.502 0 40 HJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1 11115426 WNYJAXFXZBKDEY-WOJBJXKFSA-N 413.930 4.856 0 40 HJAB CCN1CCN(c2ccc(NC(=O)COc3ccc(Cl)c4ccccc34)cc2)CC1 11950003 MHIIWEZOAZHELK-UHFFFAOYSA-N 423.944 4.653 0 40 HJAB C[C@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)c1nc2ccccc2s1 12607584 CBMZSIWWKCWVQA-HNNXBMFYSA-N 423.567 4.567 0 40 HJAB COc1ccccc1C(=O)COC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 12805473 HPLQYDQIHIZGRR-HOTGVXAUSA-N 407.491 4.781 0 40 HJAB CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2cccc(C)c2)n1 12884549 RZZDVVDRGOZMIW-OAHLLOKOSA-N 406.511 4.883 0 40 HJAB CSCc1nnc(SCC(=O)c2cc(C)n(CCc3ccccc3)c2C)o1 12918237 VZVHQQAJXDNDAX-UHFFFAOYSA-N 401.557 4.569 0 40 HJAB Cc1c(-c2ccccc2)sc(NC(=O)c2cccs2)c1C(=O)N1CCOCC1 13021815 AWRDZVCVQRXUOP-UHFFFAOYSA-N 412.536 4.510 0 40 HJAB C[C@H](NC(=O)CSc1nnc(NCc2ccco2)s1)c1ccc2ccccc2c1 13127943 SQYKUGCKAGSRPA-AWEZNQCLSA-N 424.551 4.866 0 40 HJAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccccc1I 13668220 GVPJSQCOIPXFAQ-UHFFFAOYSA-N 407.251 4.865 0 40 HJAB Cc1cccc(-c2nnc3sc(COc4ccc(Br)cc4)nn23)c1 13945101 WSTMLLUWMOVBDI-UHFFFAOYSA-N 401.289 4.503 0 40 HJAB CCc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3ccccc3CC)cs2)cc1 14181774 LBMXHOCXNAYXOZ-UHFFFAOYSA-N 407.539 4.646 0 40 HJAB COc1ccc(OC)c(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)c1 14791662 QUQHRDJAFJGGOD-UHFFFAOYSA-N 410.282 4.781 0 40 HJAB Cc1cc(C(=O)COC(=O)/C=C/c2cccc3cccnc23)c(C)n1CC(F)(F)F 14812331 WIQTUSNBHHINMA-CMDGGOBGSA-N 416.399 4.655 0 40 HJAB Cc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 15391059 CHKPUQFVLLABRK-SFHVURJKSA-N 420.962 4.529 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 15992273 HOMKYAQELCQZMU-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB COc1ccc(C(=O)CN(C2=NCCCS2)c2ccc(Br)cc2)cc1 16768787 BPNPEXBZCDLDKH-UHFFFAOYSA-N 419.344 4.640 0 40 HJAB CCc1ccc(-n2nnc(C(=O)OCc3nc(-c4ccc(C)cc4)oc3C)c2C)cc1 16841249 WDZBZWLYXOLSIH-UHFFFAOYSA-N 416.481 4.767 0 40 HJAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1 17090043 ZIZHEERXXUWXQD-UHFFFAOYSA-N 414.534 4.897 0 40 HJAB CN1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)nc(N)c23)C1 20101676 WPONRDPKUNYEQI-UHFFFAOYSA-N 411.383 4.861 0 40 HJAB CCc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)o2)cc1 20197151 NBGXZAVETBGVDE-UHFFFAOYSA-N 401.919 4.915 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1 20490379 HUTJMRINJGUCOZ-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(Cc4cccc5ccccc45)CC3)c2c1 20727097 AJNXKNWASOHUHI-RUZDIDTESA-N 413.521 4.573 0 40 HJAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCC(c2ccccc2)=N1 21533826 WRGJZIBVRAYKQQ-UHFFFAOYSA-N 410.930 4.563 0 40 HJAB Cc1cccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(C(C)C)cc3)n2)c1 22256884 UGRYKRGKUJUTEQ-UHFFFAOYSA-N 413.543 4.768 0 40 HJAB COc1ccc2nc(N(CCn3cccn3)C(=O)c3cc4ccccc4o3)sc2c1 23144800 LFPJOCNHSOEDHN-UHFFFAOYSA-N 418.478 4.595 0 40 HJAB O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 27400106 MXKXCNZMPNMGAS-UHFFFAOYSA-N 421.722 4.593 0 40 HJAB O=S(=O)(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1C(F)(F)F 28783579 XMAXAEAKMKZICA-UHFFFAOYSA-N 413.417 4.938 0 40 HJAB CN(C)[C@@H](CNC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1)c1cccc(F)c1 32216911 NAIMYMVTKUYIQI-CFGKVWFZSA-N 413.493 4.521 0 40 HJAB Cc1nnc(SCCN2CCCCC2)c2nn(-c3ccccc3Cl)c(C)c12 36646286 QJAOLXOPYMQDJB-UHFFFAOYSA-N 401.967 4.664 0 40 HJAB O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073418 UPFWXIKEPYQOMS-AWEZNQCLSA-N 417.214 4.654 0 40 HJAB CN1CCN(C(=O)Nc2ccccc2CN(C)C2CCCCC2)[C@@H](c2ccccc2)C1 40103366 AETPPXIRWVQIAR-RUZDIDTESA-N 420.601 4.972 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)N[C@@H](C)Cc2ccccc2Cl)no1 40111966 XAQXATPWYFWKMV-ZDUSSCGKSA-N 401.919 4.685 0 40 HJAB COc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 46078696 KCAUVTWPCGLFFG-UHFFFAOYSA-N 400.478 4.849 0 40 HJAB Cc1nc(-c2cccc(NC(=O)N(Cc3cccnc3)C[C@H]3CCCO3)c2)cs1 48325804 NDEOCEOUBKLGFT-HXUWFJFHSA-N 408.527 4.727 0 40 HJAB O=C(N[C@@H]1CCSc2ccc(F)cc21)N1CCC(CN2CCCCCC2)CC1 58225165 PMKJJJDIKKEOLD-HXUWFJFHSA-N 405.583 4.660 0 40 HJAB CC(C)c1cc(Br)ccc1NC(=O)C1CCN(CC(F)(F)F)CC1 95444931 FTFUUZVNSQBPFT-UHFFFAOYSA-N 407.274 4.785 0 40 HJAB COCCCNCc1cnc(C)c2oc(-c3cc(=O)oc4c(C)c(C)ccc34)cc12 96115455 HTVCOMTZZDRDLG-UHFFFAOYSA-N 406.482 4.653 0 40 HJAB biogenic Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1C 98072933 XGMOOHDTSIQLCU-UHFFFAOYSA-N 408.239 4.886 0 40 HJAB Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)[C@@H](O)c2ccccc2)c(C)c1 200340705 ZPERKXJNXPLVAC-XUZZJYLKSA-N 423.578 4.925 0 40 HJAB O=C1O[C@@]2(CCCN(C(=O)NC(c3ccccc3)c3ccccc3)C2)c2ccccc21 206770558 OENARMBWWMQPOS-AREMUKBSSA-N 412.489 4.647 0 40 HJAB CCOC(=O)c1cccc(NC(=O)COc2cc(C)c(Br)c(C)c2)c1C 218841584 GMXUWRADAKRUCH-UHFFFAOYSA-N 420.303 4.569 0 40 HJAB O=C(COc1ccc(Cl)cc1)NCCCNc1ccnc2cc(Cl)ccc12 222971861 UIJPOWBBIOMHBD-UHFFFAOYSA-N 404.297 4.539 0 40 HJAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)c(C)c1 223383747 ZLPZYRAYFFMYLK-KRWDZBQOSA-N 405.560 4.792 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C1CC1 224595627 SZNHQWONXHXBEH-FCHUYYIVSA-N 404.539 4.718 0 40 HJAB Cc1cccc(CN(C(=O)COc2cccc(C)c2)[C@H](C)C(=O)NC2CCCCC2)c1 224729672 FZCPLNXQKATUSS-OAQYLSRUSA-N 422.569 4.548 0 40 HJAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)cc1C 225148036 RTGDICYMJSWZEB-RTWAWAEBSA-N 422.579 4.977 0 40 HJAB S=C(Nc1ccc(Nc2ccccc2)cc1)NC1CCN(Cc2ccccn2)CC1 225232066 NYTXMLBWXZBXFY-UHFFFAOYSA-N 417.582 4.776 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCC[C@@H](C)C1 225715955 ICUBCHOLMGFYGK-HYBUGGRVSA-N 402.579 4.865 0 40 HJAB C[C@@]1(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)o2)C[C@H]2C=C[C@H]1C2 408710489 VOGUKNLUYHGGMR-OWWADGOUSA-N 414.465 4.530 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2Cl)c1 409383760 FHGWSQRRRAJUNL-UHFFFAOYSA-N 406.935 4.512 0 40 HJAB C[C@](O)(CCc1ccccc1)C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 513215237 VPUQTIHNQWMEBB-QHCPKHFHSA-N 410.901 4.636 0 40 HJAB Cn1cc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)c(-c2ccccn2)n1 675602961 DQEMQFLWKZMGGK-UHFFFAOYSA-N 401.451 4.604 0 40 HJAB O=C1CCCN1c1cc(-c2nc(-c3cccc(CN4CCCC4)c3)no2)ccc1Cl 680725453 GMGQSPJKZDPYFL-UHFFFAOYSA-N 422.916 4.780 0 40 HJAB COc1ccc(CCNc2nc(-c3cc(F)cc(F)c3)ns2)c(Cl)c1OC 1642731822 LYVLATPKAOZHHM-UHFFFAOYSA-N 411.861 4.809 0 40 HJAB O=C(NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(Cl)cc1 755339 GSLKGEUGMLUENY-UHFFFAOYSA-N 408.870 4.670 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4Cl)c(=O)c23)cc1 955636 HKIYTAQQWPJCGN-UHFFFAOYSA-N 409.898 4.726 0 40 HJAB Cc1sc(NC(=O)C2CC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1 1355529 JFXVVTNHKNZRPS-UHFFFAOYSA-N 421.497 4.809 0 40 HJAB COc1ccc(-c2oc(=O)n(Cc3ccc(F)cc3)c2-c2ccc(OC)cc2)cc1 1426942 LKEWVTVCAHPESX-UHFFFAOYSA-N 405.425 4.980 0 40 HJAB CC[C@]1(C)Oc2ccc(NS(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)cc2O1 1444255 QQYKYXGATABSAJ-HSZRJFAPSA-N 407.491 4.956 0 40 HJAB CCc1c(C)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2oc1=O 2317680 HVSAYFGFTWWBHP-UHFFFAOYSA-N 406.265 4.988 0 40 HJAB Cc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3cc4c(cc3c2=O)OCO4)cc1 2687695 DDOWBNUYHGTONR-UHFFFAOYSA-N 411.457 4.626 0 40 HJAB CCN(C(=S)NC(=O)c1cc(Br)ccc1Cl)C1CCCCC1 3259206 JZTWDOAVXXXJLZ-UHFFFAOYSA-N 403.773 4.772 0 40 HJAB COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)o1 3367188 LMXVYVUCHWMJIS-UHFFFAOYSA-N 411.508 4.727 0 40 HJAB C[C@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)Nc1ccc2c(c1)OCO2 3458363 ZLUXNBOBOYZVIX-QMMMGPOBSA-N 416.644 4.560 0 40 HJAB Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1 4325615 DVKZJVIHQCNFQE-UHFFFAOYSA-N 422.550 4.847 0 40 HJAB Cc1ccc(N[C@@H]2SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)c1 4748406 GGPKOBXPZLNJLE-MRXNPFEDSA-N 405.317 4.700 0 40 HJAB Cc1ccc(C)c(C(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)c1 4947533 WPBKSQVWFKRYCK-UHFFFAOYSA-N 401.919 4.639 0 40 HJAB COc1ccc([C@]23CCCC(=O)[C@@H]2[C@H]2C(=O)CCC[C@@]23c2ccc(OC)cc2)cc1 5051903 BSDPXGJTKANWJY-VEYUFSJPSA-N 404.506 4.632 0 40 HJAB Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1cccs1)N1NC=NC1=N2 5055146 VTYVIMHYEBTTCM-NHCUHLMSSA-N 402.454 4.691 0 40 HJAB O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc2c(c1)CCCC2 5084087 MONIMOBYLSCPES-UHFFFAOYSA-N 409.536 4.742 0 40 HJAB O=C(CCCCCCCC(=O)OCCC[C@@H]1CCCO1)OCCC[C@@H]1CCCO1 5600393 IDUZRQQUVSIVCT-SFTDATJTSA-N 412.567 4.722 0 40 HJAB CCOC(=O)c1oc2cc(O)cc(C)c2c(=O)c1-c1csc(-c2ccccc2)n1 5957871 NAIIEVGZXKFAMH-UHFFFAOYSA-N 407.447 4.774 0 40 HJAB O=C(COc1ccccc1C(=O)Nc1ccccc1)N[C@H]1CCCc2ccccc21 6460940 MCAWZHDIQUXZFB-QFIPXVFZSA-N 400.478 4.512 0 40 HJAB O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)Nc1ccc2c(c1)CCC2 6531223 ZYQLXSVXABGCHQ-UHFFFAOYSA-N 419.550 4.731 0 40 HJAB COc1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccccc2OC)cc1 6642418 GRPDIUHLLNROLW-PLISTFFZSA-N 421.537 4.612 0 40 HJAB biogenic Cc1ccc2nc(SCC(=O)Nc3ccccc3C(=O)Nc3ccccc3)[nH]c2c1 6908896 NFKQOYOMBCSXSM-UHFFFAOYSA-N 416.506 4.854 0 40 HJAB COc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 6953592 FRJQIKLWFJZHSY-FYJGNVAPSA-N 415.474 4.594 0 40 HJAB Cc1ccc(S[C@@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 7181166 IDTOUEDDLGNVMZ-INIZCTEOSA-N 408.489 4.843 0 40 HJAB C[C@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)Nc1ccc(Cl)cc1F 7197273 XQWGCAKBTLNBKW-ZDUSSCGKSA-N 416.836 4.868 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)c1C 7733725 RSEFEARQHLAODV-OAHLLOKOSA-N 408.527 4.656 0 40 HJAB Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2cccc(Cl)c2)cc1 8476252 GJVJSECRPJYBIT-UHFFFAOYSA-N 402.885 4.826 0 40 HJAB CCCc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(C)c4ccccc43)n2)cc1 8728133 DTAXFRNSTFDUPD-SFHVURJKSA-N 405.523 4.851 0 40 HJAB O=C(COc1ccccc1F)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 8915789 BTRPQXQAMVSRME-INIZCTEOSA-N 412.288 4.719 0 40 HJAB O=C(Nc1ccc(Br)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 9063375 IKJJJTWWZKPVCC-UHFFFAOYSA-N 407.739 4.953 0 40 HJAB COC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(C)cc2)n(C)c2ccccc12 9189893 QMKSVHMENFRIAB-AREMUKBSSA-N 424.500 4.872 0 40 HJAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(-c2cn3ccsc3n2)cc1 9337059 JPZICNWZIBWTTQ-GOSISDBHSA-N 420.519 4.504 0 40 HJAB COc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 9489317 PNZWIENBQSZAEW-UHFFFAOYSA-N 409.298 4.518 0 40 HJAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cnc2ccccc2n1 10972392 LBMAQDBNKLPYJC-UHFFFAOYSA-N 414.412 4.948 0 40 HJAB CSCCc1[nH]c(SCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)nc1C 12372047 BNUAEKLEAYUTAN-UHFFFAOYSA-N 421.922 4.522 0 40 HJAB O=C1C[C@@H](c2ccccc2F)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 12375459 VTTBLDXGVSJLLG-AWEZNQCLSA-N 421.902 4.848 0 40 HJAB CCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2cccc(C)c2)n1 12884557 RZZDVVDRGOZMIW-HNNXBMFYSA-N 406.511 4.883 0 40 HJAB O=C(CNc1ccccc1Oc1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 13120203 BMABMNBSXPRLNO-UHFFFAOYSA-N 419.872 4.764 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(NCc2ccco2)s1)c1ccc2ccccc2c1 13127942 SQYKUGCKAGSRPA-CQSZACIVSA-N 424.551 4.866 0 40 HJAB C[C@@H](NC(=O)COC(=O)/C=C/c1cccc2cccnc12)c1cccc2ccccc12 14812649 AVIZYQISZHKCHG-LGHUBQEGSA-N 410.473 4.822 0 40 HJAB COc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)c(OC)c4)csc32)cc1O 15106985 WRWFVCQZWJKGTR-CQSZACIVSA-N 411.479 4.621 0 40 HJAB CC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)Cc2cccs2)c1 16091506 CVWKANMQTKRSSI-QGZVFWFLSA-N 413.564 4.773 0 40 HJAB O=c1c2ccccc2nc(SC[C@H]2CC2(Cl)Cl)n1-c1ccc(F)cc1F 18763225 UJMOBWSSZXSFMX-SNVBAGLBSA-N 413.276 4.950 0 40 HJAB CCCC(=O)N1CCC[C@](Cc2cccc(-c3cccs3)c2)(C(=O)NC2CC2)C1 19501223 BBPSPSZOJFEIOU-XMMPIXPASA-N 410.583 4.645 0 40 HJAB CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2Cl)C1 19591738 SNZVTWLNSMPCST-RUZDIDTESA-N 419.956 4.583 0 40 HJAB CCc1ccc(OCC(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 20411100 CJVGFGLXOCCLLX-UHFFFAOYSA-N 421.478 4.722 0 40 HJAB Cc1nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c(=O)c1Cc1ccc(Cl)cc1 20673308 XVZKWHQUZGINRF-UHFFFAOYSA-N 405.889 4.626 0 40 HJAB Cc1cc(NC(=O)c2cccc(N3CCCCCC3)n2)n(-c2ccc(Cl)cc2)n1 21586288 BJXNYNZUVQZTHS-UHFFFAOYSA-N 409.921 4.862 0 40 HJAB COc1ccc([C@@H](C)NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1OC 22245583 TYLJDWSARCBBAW-CQSZACIVSA-N 411.527 4.728 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nccc(C(F)(F)F)n2)c(Br)c1 26482481 ZSOWODVHNHKGTL-SECBINFHSA-N 420.254 4.686 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 32623012 KMZMQURRWAGVEE-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c1 32712999 ZXEFNCBAIWOTNQ-OAHLLOKOSA-N 422.456 4.586 0 40 HJAB Cc1ccc2c(=O)cc(CSc3nnc(NC(=O)c4ccccc4)s3)[nH]c2c1C 33063906 YHBXRPNSCWYIDF-UHFFFAOYSA-N 422.535 4.541 0 40 HJAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 38753774 ATVRAHCJNGUUCK-KRWDZBQOSA-N 424.522 4.808 0 40 HJAB O=C(/C=C/c1cccs1)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1 39763352 QNLXJOBGZSXZLL-VAWYXSNFSA-N 416.462 4.702 0 40 HJAB CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3cnc4ccccc4n3)CC2)cc1 40107631 UJQJJDHJWVABLM-UHFFFAOYSA-N 401.510 4.563 0 40 HJAB Cc1ccc(NC(=O)Cn2c3ccccc3n3c(=O)cc(-c4ccccc4)nc23)c(C)c1 40485170 VWPLJYIOQLJHBJ-UHFFFAOYSA-N 422.488 4.572 0 40 HJAB CC(C)Oc1cccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 44916178 XWQKAXQSNJJUAK-UHFFFAOYSA-N 412.549 4.574 0 40 HJAB Cc1cc(=O)oc2cc(NCc3nc(-c4cccc(C(F)(F)F)c4)no3)ccc12 57650869 WYPINUZENUBSJB-UHFFFAOYSA-N 401.344 4.782 0 40 HJAB COc1ccc(OC)c(/C=C2/SC(=O)N(CNc3cccc(Cl)c3C)C2=O)c1 59377931 QTWDUHUBAWBQCR-VCHYOVAHSA-N 418.902 4.772 0 40 HJAB CC1(C)N=C(N)N=C(N)N1c1cc(Cl)c(Oc2ccc(Cl)cc2)c(Cl)c1 67350904 QJMSDJIKTWHLAJ-UHFFFAOYSA-N 412.708 4.625 0 40 HJAB O=c1c2sccc2nc(SCCc2ccccc2)n1Cc1ccc2c(c1)OCO2 71327602 NBBGAWCRDFYTTI-UHFFFAOYSA-N 422.531 4.570 0 40 HJAB CC[C@](C)(CCCNC(=O)c1cc2c(s1)-c1ccccc1OC2)C1OCCO1 72306329 XIVXVMUECZJVQS-JOCHJYFZSA-N 401.528 4.607 0 40 HJAB Cc1cc2nc(-c3ccc(CNC(=O)CSCc4cccnc4)cc3)[nH]c2cc1C 79050840 VZOIHOUZPRDKOS-UHFFFAOYSA-N 416.550 4.791 0 40 HJAB Cc1cc(-n2c(C)cc(/C=C3\N=C(c4ccc(OC(C)C)cc4)OC3=O)c2C)no1 96129874 BBHOZYDOKHDHLU-NDENLUEZSA-N 405.454 4.522 0 40 HJAB Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1ccccc1 101093049 GYMNKLBWYBVUMP-FSSWDIPSSA-N 418.880 4.700 0 40 HJAB Cc1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1 216381177 HTHRPJLNORRFSR-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 222991215 KXRGEYKXUVVIJN-NRFANRHFSA-N 420.475 4.828 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 223315273 IIVXIOGHVRKRGY-FQEVSTJZSA-N 400.950 4.605 0 40 HJAB COC(=O)c1ccc(NCc2ccc(C)cc2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223410592 MLTBNRDJRXSJES-UHFFFAOYSA-N 424.522 4.503 0 40 HJAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223488750 NKXFTIKYTZTCSY-RUZDIDTESA-N 418.512 4.665 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 223606413 ZNLYFWHIZSNCKX-NRFANRHFSA-N 400.950 4.606 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 223700929 CDKOAADBFQJFQJ-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223895447 JNDFJJRBYMYPEW-LJQANCHMSA-N 424.560 4.797 0 40 HJAB C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCSc1ccccc1 224079105 VUUFQAQIUOFYNZ-FQEVSTJZSA-N 424.610 4.687 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 224095136 GTQQKJBBSGVKJR-FQEVSTJZSA-N 418.990 4.517 0 40 HJAB Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1 224668952 JBOHPKUIHKJSDY-OAQYLSRUSA-N 422.569 4.548 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 224668999 KKYPXSXXOWEMKR-QFIPXVFZSA-N 414.977 4.852 0 40 HJAB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2cc(Cl)ccc2Cl)c1C 224943704 XLNJARJAMITLQJ-UHFFFAOYSA-N 416.326 4.694 0 40 HJAB C[C@]12CC[C@@H]3[C@H](C(=O)C[C@@H]4C[C@@](O)(C(Cl)(Cl)Cl)CC[C@@]43C)[C@@H]1CCC2=O 253617294 PRKJWXBURFOVQU-DJUCEIALSA-N 421.792 4.879 0 40 HJAB CCn1c2c(s/c1=N\C(=O)c1cccc(Br)c1)CCc1ccccc1-2 408561515 JCIZSQMKIVCYDX-XDOYNYLZSA-N 413.340 4.839 0 40 HJAB CCOc1ccc(Nc2nc(-c3ccc(OC)cc3OC)c(CC(=O)O)s2)cc1 408880525 KIJHIJQXVWWMSN-UHFFFAOYSA-N 414.483 4.597 0 40 HJAB O=S(=O)(N[C@H](c1cccs1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 792916 IMBIUPZKBAEJRG-LLVKDONJSA-N 405.155 4.791 0 40 HJAB COC(=O)c1c(NC(=O)c2cccc(C)c2)sc(C(=O)Nc2ccc(C)cc2)c1C 871269 USOLWWNUWUGOKJ-UHFFFAOYSA-N 422.506 4.965 0 40 HJAB CC(C)(C)NC(=O)CSc1nc2ccccc2n1Cc1c(F)cccc1Cl 1381396 PSEDFLMOKOBWMJ-UHFFFAOYSA-N 405.926 4.884 0 40 HJAB COC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1CC[C@H](C)C2 1773377 YUIBVKXLJBEKDA-HNNXBMFYSA-N 401.528 4.766 0 40 HJAB CCOC(=O)COc1ccc2c(=O)c(-c3csc(-c4ccccc4)n3)c(C)oc2c1 2329807 UTAMTKFYHUMACJ-UHFFFAOYSA-N 421.474 4.834 0 40 HJAB CC[C@@H](C(=O)Nc1c(C(=O)OC)[nH]c2ccc(Br)cc12)c1ccccc1 2339675 BJNJVSNXSFZWLU-CQSZACIVSA-N 415.287 4.849 0 40 HJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3445107 RIBMWMJTLVJBIR-UHFFFAOYSA-N 418.337 4.813 0 40 HJAB Cc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3cc4ccccc4nc3Cl)C2)cc1 4171954 GLZGQAMTTTWYAC-FQEVSTJZSA-N 421.884 4.739 0 40 HJAB CCc1nnsc1C(=O)Nc1c(C(=O)c2ccc(C)c(F)c2)oc2ccccc12 4941905 GQQXIXRWODVOBU-UHFFFAOYSA-N 409.442 4.778 0 40 HJAB Cc1ccc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)cc1 5100507 GBRPYZVVEQLTSR-UHFFFAOYSA-N 408.461 4.821 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 6303772 UPGFXZBBDRMBSC-UHFFFAOYSA-N 414.461 4.755 0 40 HJAB CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccccc1OC 6554645 MSNAJPITWAXSRH-ZWSUVBHBSA-N 409.526 4.602 0 40 HJAB biogenic CCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 6587895 ZYPZINPKUOWTEU-ZDUSSCGKSA-N 418.925 4.727 0 40 HJAB CC(=O)Nc1ccc(C(=O)O[C@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)cc1 6879078 JQLBZHNDENYBSF-QHCPKHFHSA-N 416.477 4.799 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)c3ccccc3S(=O)(=O)CC)ccc21 8272261 VQSMLRUVQIPAQZ-UHFFFAOYSA-N 406.507 4.860 0 40 HJAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nccs1)[C@H]3c1cccc(Cl)c1 9042513 NEADCLZCHMNFRM-KRWDZBQOSA-N 424.865 4.661 0 40 HJAB COc1ccccc1-c1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@@H]3c1ccccc1 9328523 DIOABCWUHWKEQM-NRFANRHFSA-N 422.444 4.791 0 40 HJAB Cc1cccc(CN2C(=O)N(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc32)c1 9664351 IYWOBLVIHNDANE-UHFFFAOYSA-N 406.507 4.947 0 40 HJAB Fc1ccc(CSc2nnc3ccc(-c4ccc(Br)cc4)nn23)cc1 9829117 OIJFDEYZUALXDH-UHFFFAOYSA-N 415.291 4.985 0 40 HJAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)OCCOc1ccccc1 11777457 NKEDNEKMWSGWSV-QFIPXVFZSA-N 423.896 4.823 0 40 HJAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 12293636 NPNNXCGYPNRXQH-WOJBJXKFSA-N 422.352 4.686 0 40 HJAB Cc1cc(C)c2c(n1)N(Cc1ccccc1)[C@H](c1ccc(Br)cc1)NC2=O 12446269 UMLAXAVCNXBCJE-HXUWFJFHSA-N 422.326 4.910 0 40 HJAB COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC[C@@H]2c2cccnc2)cc1 12660782 YIMVSJSXBWYNEU-HSZRJFAPSA-N 415.493 4.710 0 40 HJAB biogenic COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2ccncc2)CCC(=O)N1c1ccc(C)cc1 12775968 BBRCWTVFWKRRJT-XUZZJYLKSA-N 415.493 4.522 0 40 HJAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 12787138 HGZPZIHCGSIIBL-UHFFFAOYSA-N 405.845 4.841 0 40 HJAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCC[C@@H]2CCCC[C@H]21 12798406 WIADKBODMBAOFZ-NZQKXSOJSA-N 400.526 4.788 0 40 HJAB Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4Cl)cc3)nn2)n1 13009672 AMPTYDRLVQCANX-UHFFFAOYSA-N 422.851 4.759 0 40 HJAB O=C(CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1)c1c[nH]c2ccc(F)cc12 13570067 MAZPTFMZPIFFLX-UHFFFAOYSA-N 420.425 4.987 0 40 HJAB CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2ON1c1ccccc1 13752264 NJBXYNKCLWDUAR-QQUTXWOLSA-N 406.526 4.890 0 40 HJAB CN(C)C(=S)S[C@H]1C(=O)c2cc(Br)ccc2O[C@@H]1c1ccccc1 16163083 CGJPGHHUDOQHAA-SJORKVTESA-N 422.369 4.714 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2cccc(C)c2)cc1 16309774 DHSSOENTFPSYNQ-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCC)c(OC)c1 16751704 SUHGXWDGLUSJLR-OAQYLSRUSA-N 407.466 4.546 0 40 HJAB Cc1cc2oc(=O)cc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)c2cc1C 17659008 DPSGDKJBOZRBRP-IBGZPJMESA-N 422.462 4.598 0 40 HJAB O=C(CCc1ccccc1)N1CCC[C@@H](c2nnc(-c3nccc4ccccc34)o2)C1 19370735 HATUCVWNYLWEGZ-HXUWFJFHSA-N 412.493 4.624 0 40 HJAB CN(C)c1ncc(-c2ccccc2F)c([C@@H]2CCCN(C(=O)C3CCCCC3)C2)n1 19694523 SSCOIPXNAMSAGT-GOSISDBHSA-N 410.537 4.635 0 40 HJAB C[C@@H](NC(=O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccn1 19748825 KAZXUJIDAPYBDR-MRXNPFEDSA-N 405.464 4.580 0 40 HJAB CCCCC1CCC(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 19901837 NAHZRNXGSCUMAH-ZOGYUUGASA-N 406.998 4.826 0 40 HJAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)sc2c1CCCC2 19931913 VHSFZNMFRRBHOA-OAHLLOKOSA-N 401.528 4.745 0 40 HJAB O=C(NCc1ccccc1)N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 20522657 WYXFWOHPHGCPNS-FQEVSTJZSA-N 418.884 4.979 0 40 HJAB Cc1sc(NC(=O)CCNC(=O)c2cccs2)nc1-c1ccc(Cl)cc1 20670824 SEEBTBADKWSASC-UHFFFAOYSA-N 405.932 4.592 0 40 HJAB COC(=O)c1cc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c(F)cc1F 22901332 ZCIMLODIELBQBC-UHFFFAOYSA-N 423.375 4.515 0 40 HJAB Cc1ccc(OCCC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1C 24565375 OKKZKMBZOFPMLE-HSZRJFAPSA-N 403.526 4.511 0 40 HJAB Cc1cc2oc(=O)cc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)c2cc1Cl 25421831 HXMYLYIOBQUYMC-LJQANCHMSA-N 411.885 4.863 0 40 HJAB COc1cc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)cc(OC)c1OC 26013215 OOOFPTDGDQDAIO-UHFFFAOYSA-N 411.429 4.683 0 40 HJAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2Cl)N2CCCCCC2)cc1 27584468 OJBRTTYWSCCFNE-OAQYLSRUSA-N 400.950 4.761 0 40 HJAB CN1CCc2nc(NC(=O)c3sc(-c4ccco4)nc3-c3ccccc3)sc2C1 32753168 ZBVNLXCFAXKOQM-UHFFFAOYSA-N 422.535 4.767 0 40 HJAB Cc1nc(COc2cccc(/C=C/C(=O)NCCCOC3CCCCC3)c2)cs1 32906382 NTXCVFZSSCDYMR-VAWYXSNFSA-N 414.571 4.899 0 40 HJAB Cc1csc(NC(=O)CSc2nc(COc3ccccc3)nc3ccccc23)n1 35292072 YMYQKEYGOIGJCK-UHFFFAOYSA-N 422.535 4.705 0 40 HJAB CN(C)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2 35681629 DHWPOPNGSGRVCJ-SSZFMOIBSA-N 420.896 4.620 0 40 HJAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC[C@H](C(=O)Nc2ccccc2)C1 36476278 MWCSZCYOAHNCCF-CABCVRRESA-N 420.340 4.671 0 40 HJAB Cc1nc(Sc2nc(C)c(CC(N)=O)s2)c2c(-c3cccs3)csc2n1 40025170 XFKSJAKWWJYUAB-UHFFFAOYSA-N 418.594 4.672 0 40 HJAB O=C(CCc1nc(Cc2ccccc2)no1)Oc1ccc(Cl)cc1Br 40129372 NUWTUPWXZUSKFK-UHFFFAOYSA-N 421.678 4.615 0 40 HJAB Cc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2-c2ccccc2)cc1 44086053 DFNFYLDRBTZMGM-UHFFFAOYSA-N 404.495 4.875 0 40 HJAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1sc(N2CCCCC2)nc1Cl 48332363 RQBNOSZKDDRPGV-RAXLEYEMSA-N 408.310 4.785 0 40 HJAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)N[C@@H](c1cccs1)C1CCCC1 48481327 KBVPWLCXRDDWNJ-OAQYLSRUSA-N 411.571 4.715 0 40 HJAB O=C(NCc1nnc2n1CCC2)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1 56676963 GETVJHNEQWTMEV-UHFFFAOYSA-N 402.285 4.520 0 40 HJAB CCCCn1c(SCC(=O)Nc2cccc(SC)c2)nc2ccsc2c1=O 57426395 FJGDQMXGRVFVOZ-UHFFFAOYSA-N 419.597 4.711 0 40 HJAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1ccc(F)c(Cl)c1 71326370 SRVVKTZIAZRVIU-UHFFFAOYSA-N 411.289 4.966 0 40 HJAB O=C(c1oc2ccccc2c1CSc1ncccn1)N1CCCC[C@H]1c1ncc[nH]1 71853804 YWLUZIFXWUGTJY-KRWDZBQOSA-N 419.510 4.606 0 40 HJAB COc1ccccc1Cc1cccc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72349023 KBFABKJKDVRWGL-QFIPXVFZSA-N 400.522 4.630 0 40 HJAB O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349452 XTSLOGDGHDRSAT-FQEVSTJZSA-N 405.929 4.670 0 40 HJAB CC[C@H](NC(=O)c1nnn(-c2ccccc2Cl)c1-c1ccccn1)c1cccs1 77199911 UGSNKTMGJYHJJV-HNNXBMFYSA-N 423.929 4.925 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 78388014 KKWWXMYTSVBVHK-KRWDZBQOSA-N 402.878 4.797 0 40 HJAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@@H]3CCCOc4ccc(F)cc43)cc12 84068004 OWKKHRAMGUFCML-QGZVFWFLSA-N 401.507 4.845 0 40 HJAB Cc1cc(C)n(C[C@@H](C)CN[C@H](c2ccncc2)c2cccc(C(F)(F)F)c2)n1 95466855 OAYKXZQWQALMKF-YCRPNKLZSA-N 402.464 4.929 0 40 HJAB O=C(CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2)Nc1cccc(Cl)c1Cl 100457050 IMEYQTUOBKQKSG-ZIAGYGMSSA-N 423.315 4.586 0 40 HJAB Nc1ccc(C#Cc2cnc3c(ccc4cc(C#Cc5ccc(N)cc5)cnc43)c2)cc1 117627819 KWQPRJMLTNCIIF-UHFFFAOYSA-N 410.480 4.747 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 222442316 VABVUXVRQGREBC-DEOSSOPVSA-N 424.585 4.794 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 222518354 VQAMCOZTXWHBFQ-QGZVFWFLSA-N 414.977 4.733 0 40 HJAB CCCSc1nnc(NC(=O)CSCc2ccc(Br)cc2)s1 223204498 PZAGVSWTWDPQFM-UHFFFAOYSA-N 418.407 4.675 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccccc2C)cc1 223349924 IAHIHVBVLSNWQG-JVDNRXPZSA-N 420.534 4.713 0 40 HJAB O=C(NCCOc1ccc2ccccc2c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 223637665 UBXGJKPQTQIBBR-JOCHJYFZSA-N 422.956 4.900 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 223794416 FSJNDUMJDMDGSW-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(C)c3C)cc2C)cc1 224206340 BTSYXVAWFFDUQZ-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1CSc1ccc(C)cc1 224341492 KFBDMIWFYURVIL-UHFFFAOYSA-N 421.518 4.955 0 40 HJAB CCc1ccc([C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 224476681 URGVUFFJJLYUAO-SFHVURJKSA-N 422.550 4.849 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 224912419 LRSJNYLDYNOOHZ-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc2ccccc2c1 225045056 BAOLSCFGDSHEHK-UHFFFAOYSA-N 411.523 4.722 0 40 HJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 225126809 KSMIBPRLBHSSLB-GOSISDBHSA-N 412.961 4.749 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2cccc(Cl)c2)CC1 225350236 YKUUMLZDMXECKZ-HSZRJFAPSA-N 412.961 4.725 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(O[C@@H]2CCSC2)nc1 225714283 BGABQZNQYFTTHM-GFCCVEGCSA-N 402.825 4.890 0 40 HJAB S=C(NCc1nc(-c2cccc(Cl)c2)no1)Nc1cccc(Br)c1 225832577 HWASFGNUMSLFJF-UHFFFAOYSA-N 423.723 4.639 0 40 HJAB O=C(CCc1cccc(F)c1)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 257249664 JJGYGFDURQWMLT-QAQDUYKDSA-N 413.518 4.960 0 40 HJAB CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 408545300 KCCHUNLURPRRBP-UHFFFAOYSA-N 408.951 4.678 0 40 HJAB CC(C)Oc1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1 408623536 RSIXRCXPFWWZKZ-UHFFFAOYSA-N 424.522 4.551 0 40 HJAB CCOC(=O)COc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1Cl 409109341 BYPXBGBOAPWQJY-WQRHYEAKSA-N 413.901 4.825 0 40 HJAB COc1cccc(Cc2cnc([C@@H]3CCCCN3Cc3cccc(C(=O)O)c3)o2)c1 1848353318 BIGGZTXSKMIYKB-QFIPXVFZSA-N 406.482 4.699 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)c(C)c1 1264627 FUYZRASPTLJLFA-UHFFFAOYSA-N 413.521 4.518 0 40 HJAB COc1ccc(Cc2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1OC 1315285 VWBSIUIXWKEFAL-UHFFFAOYSA-N 424.309 4.705 0 40 HJAB CCOC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@@H](C(=O)OCC)[C@H]1c1ccco1 2359794 KQEGCJRLMNRRQP-IFMALSPDSA-N 409.482 4.740 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)cc1)N(C[C@H]1CCCO1)C3=O 2440529 GHTQSABTGXKPGM-DYESRHJHSA-N 423.896 4.787 0 40 HJAB CCN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 2974858 BRLVSUQXIUMLHM-UHFFFAOYSA-N 417.944 4.883 0 40 HJAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 4033132 BMTXMUQSVSVUIY-UHFFFAOYSA-N 400.482 4.955 0 40 HJAB CCOc1ccc(-c2noc(CCCC(=O)Nc3ccc(Cl)cc3)n2)cc1OC 4488184 HNAOVEUEXMTQMB-UHFFFAOYSA-N 415.877 4.759 0 40 HJAB CCOc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 5000416 BSJTYVUNVVZQFH-UHFFFAOYSA-N 402.903 4.804 0 40 HJAB CCCCOc1ccc(/C=C/c2nc3sc(C(=O)OCC)c(C)c3c(=O)[nH]2)cc1 5071170 FUCLBHAHCHIHOM-FMIVXFBMSA-N 412.511 4.819 0 40 HJAB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)Nc1cccc(F)c1 5079435 SMWOAGNXCMOURZ-UHFFFAOYSA-N 411.816 4.506 0 40 HJAB O=C(c1ccc2ncsc2c1)N1CCN(c2nc3c(Cl)cccc3s2)CC1 5181961 JOGIIFXRRFUUGI-UHFFFAOYSA-N 414.943 4.522 0 40 HJAB O[C@@]1(C(F)(F)F)[C@@H]2CCc3ccccc3C2=NN1c1nc(-c2ccccc2)cs1 5275035 LIPWZSDAPDDIIE-OXQOHEQNSA-N 415.440 4.848 0 40 HJAB COc1ccc([C@]2(C(=O)Nc3ccccc3C)CC(=O)N2c2ccc(C)cc2)cc1 5484757 XTPYWVQISQCCSX-VWLOTQADSA-N 400.478 4.583 0 40 HJAB COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccccc3C)cc2O)cc1 5563052 MSFGCPHGDLBNRW-UHFFFAOYSA-N 413.477 4.994 0 40 HJAB biogenic Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNCCCO 5614888 ZGOJBJQCHZHYDJ-QHCPKHFHSA-N 414.549 4.617 0 40 HJAB O=C(Cn1c(=O)oc2ccc(Cl)cc21)NCCC(c1ccccc1)c1ccccc1 6760251 XAXRUWSXPACARX-UHFFFAOYSA-N 420.896 4.586 0 40 HJAB C[C@@H](CCCNC(=S)Nc1ccc(F)cc1)CNC(=S)Nc1ccc(F)cc1 6850748 LLYSTIJZTIUZJA-AWEZNQCLSA-N 422.570 4.654 0 40 HJAB O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1Cl 6943263 DWYJNEBLCZUYOJ-QHHAFSJGSA-N 402.636 4.981 0 40 HJAB O=c1[nH]c(CNc2ccc3c(c2)OCO3)nc2scc(-c3ccccc3Cl)c12 7001989 QNXWKNKMCGXZRS-UHFFFAOYSA-N 411.870 4.646 0 40 HJAB CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)C4CCCCC4)C2)C3)cc1 8295048 TZINVTMLMYDLHU-FXAWDEMLSA-N 422.594 4.763 0 40 HJAB biogenic,in-vitro CC(C)Cn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1ccco1 8987997 YSYSAWAYRKVSEY-CABCVRRESA-N 416.522 4.691 0 40 HJAB Brc1ccc(-c2nnc(CSc3nc(-c4cccs4)n[nH]3)o2)cc1 9120303 OVEYDIHJADHPOY-UHFFFAOYSA-N 420.317 4.638 0 40 HJAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1Br 9159374 PZNLBVALQRTBCR-UHFFFAOYSA-N 413.315 4.651 0 40 HJAB COc1ccc(-c2nc(NC(=O)C[C@H](NC(C)=O)c3ccc(C)cc3)sc2C)cc1 12263942 JGWGZJYBNCKOPD-FQEVSTJZSA-N 423.538 4.642 0 40 HJAB CCOC(=O)c1ccc(Oc2ccc3c(c2)OCO3)c(NC(=O)c2ccoc2C)c1 12410913 YVYBMZFRBPSTRA-UHFFFAOYSA-N 409.394 4.538 0 40 HJAB COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCCO4)=NN12 12561675 DJWBECKUPRJVFP-NLFFAJNJSA-N 414.461 4.709 0 40 HJAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc2c(s1)CCCCCC2 12893908 GMAPVDHBRFQMDU-OAHLLOKOSA-N 405.585 4.644 0 40 HJAB Cc1nc(Sc2nnnn2Cc2ccco2)c2c(-c3cccs3)csc2n1 14308451 FICYJSFPAFFQQL-UHFFFAOYSA-N 412.525 4.507 0 40 HJAB CCOc1ccc2oc(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)c(C)c2c1 16142689 HVNXWMYQUVWREU-UHFFFAOYSA-N 420.509 4.696 0 40 HJAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(Br)cc3)nc12 17092111 LUNUCEFPYWPSGK-UHFFFAOYSA-N 420.357 4.802 0 40 HJAB Cc1c(C(=O)N(C)Cc2ccc3c(c2)OCO3)oc2ccc(Br)cc12 18155553 AMQNHQKAEYSOJE-UHFFFAOYSA-N 402.244 4.505 0 40 HJAB COc1cccc2cc(CN3CC[C@@H](c4cc(COc5ccccc5)[nH]n4)C3)oc12 19704277 QKUMSPHYZGOSRM-GOSISDBHSA-N 403.482 4.733 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1cccs1)N1CCCC1 23804790 UZRIKSUXAVZHGO-CJNGLKHVSA-N 413.370 4.776 0 40 HJAB O=C(NCc1ccccc1CN1CCCC1)c1cc(-c2ccncc2)nc2ccccc12 24189796 GNHJCQLNBKNMIH-UHFFFAOYSA-N 422.532 4.823 0 40 HJAB Cc1ccc(-n2c(SCC(=O)c3cc(C)[nH]c3C)nnc2-c2ccncc2)cc1 25149051 JNMOAPLLOXNBBE-UHFFFAOYSA-N 403.511 4.558 0 40 HJAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(COc3cccc(F)c3)c2)CC1 26009287 YXAMAZURGHSOEP-UHFFFAOYSA-N 412.505 4.628 0 40 HJAB Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)c1 27663731 RRNGWJZTQHCSGU-QFIPXVFZSA-N 400.950 4.679 0 40 HJAB Cc1cccc(C)c1OCC(=O)Nc1cc(-c2ccc(Br)cc2)no1 27747341 KWCIIRNOSSQJDL-UHFFFAOYSA-N 401.260 4.738 0 40 HJAB CC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(C)cc1 30848725 JPZFPVPQHFVVTI-NRFANRHFSA-N 408.523 4.677 0 40 HJAB CCCN(CC(=O)Nc1ccc2c(c1)OCO2)[C@H](C)c1ccccc1Br 36397215 FJDZWIONRXGZCH-CQSZACIVSA-N 419.319 4.590 0 40 HJAB O=C(C[C@H]1C(=O)N(C2CCCCCC2)c2nc3ccccc3n21)Nc1ccccc1 39964079 AQQSLKLZURUGOZ-NRFANRHFSA-N 402.498 4.676 0 40 HJAB Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)n1 39977721 DCDGCAQLJXWDAL-IBGZPJMESA-N 409.555 4.885 0 40 HJAB Cc1cc(CSc2ncccc2C(=O)N[C@H](C)Cc2ccccc2Cl)no1 40111967 XAQXATPWYFWKMV-CYBMUJFWSA-N 401.919 4.685 0 40 HJAB O=c1c2cnc3c(-c4ccc(F)cc4)cnn3c2ccn1CCc1c[nH]c2ccccc12 40396628 HOHYQZBUUIJJCN-UHFFFAOYSA-N 423.451 4.574 0 40 HJAB CC(C)(C)c1ccc(OCCCOc2cccc(/C=C3/SC(=N)NC3=O)c2)cc1 41077987 PADNDGSDBIAZNW-HMMYKYKNSA-N 410.539 4.971 0 40 HJAB CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2)C1 44803798 HWFYTUXIQYARFN-MRXNPFEDSA-N 424.932 4.927 0 40 HJAB CC[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(OC)c(OC)c1 44856870 RWBRMFMGDAOTME-JOCHJYFZSA-N 410.558 4.817 0 40 HJAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 57601020 GVNYMOGGFSVKLF-UHFFFAOYSA-N 414.811 4.847 0 40 HJAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(Cc1ccccn1)CO3 61969181 PPGSZNRDSUWUHV-UHFFFAOYSA-N 412.489 4.748 0 40 HJAB Fc1c(Cl)cccc1NC(=S)Nc1ccc(I)cc1 71326198 QQVAFOKAHFGFAL-UHFFFAOYSA-N 406.651 4.893 0 40 HJAB CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)CCc1cnn(C)c1 72285471 RPELGWKQILUWSY-UHFFFAOYSA-N 419.569 4.906 0 40 HJAB COc1ccc(NC(=O)CN2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)cc1 72357658 KVDBPRIGRLLVMF-DEOSSOPVSA-N 419.500 4.596 0 40 HJAB Cc1nc2cc(C(=O)Nc3ccc(NC(=O)N4CCCCCC4)cc3)ccc2n1C 84287061 VKYHJIMVJBDBJF-UHFFFAOYSA-N 405.502 4.542 0 40 HJAB O=C(c1ccc(OCC(F)(F)F)nc1)N1CCc2sccc2[C@@H]1c1cccs1 84442203 FTGFOZUUJGKELJ-QGZVFWFLSA-N 424.469 4.934 0 40 HJAB C[C@@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)c1ccc(C[C@@H]2CCCC2=O)cc1 95472211 KXACXPSPZJFNSK-APWZRJJASA-N 406.501 4.681 0 40 HJAB O=C(CCCc1ccccc1)NCc1ccnc(NC(=O)CCCc2ccccc2)c1 96012012 DLPMFCYPZIYWIZ-UHFFFAOYSA-N 415.537 4.682 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)n2)c1 223300998 NMTQHSIXYBRXGZ-GOSISDBHSA-N 407.514 4.903 0 40 HJAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223350900 GGGDOJVVMQEKPW-RUZDIDTESA-N 400.522 4.525 0 40 HJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)cc1 224191969 IHOVMIGNOYYZLG-GOTSBHOMSA-N 411.534 4.753 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 224280483 KTEYZMMZQMDOPT-XMMPIXPASA-N 422.569 4.548 0 40 HJAB CCCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224841971 GADZCOPOOZAIGB-DEOSSOPVSA-N 406.570 4.794 0 40 HJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCC 225431739 FHRIHSZDOGDXHN-JOCHJYFZSA-N 414.977 4.996 0 40 HJAB CC(C)c1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 408704182 KROQNCMHVQKBCW-UHFFFAOYSA-N 408.523 4.891 0 40 HJAB Cn1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(=O)c2ccccc21 408713060 IPPMFOSGVSGTJS-UHFFFAOYSA-N 416.864 4.675 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 408968666 AUBOEMXXZOCIBN-UHFFFAOYSA-N 410.823 4.850 0 40 HJAB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)c(Br)cc1OC 409119357 WJJVMYFPISEXEY-GDNBJRDFSA-N 402.288 4.764 0 40 HJAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(C)cc1C 409346027 NCYPBVCUWRKKLI-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1ccccc1 409362601 RUPAIZIRCXWRSP-UHFFFAOYSA-N 416.547 4.601 0 40 HJAB O=C(Nc1cccc(Cl)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 409382650 WOAPONMAPRSKOG-OAQYLSRUSA-N 412.898 4.960 0 40 HJAB Cc1cc(C)cc(-n2nc(NC(=O)N3CCC4(CC3)OCc3ccccc34)cc2C)c1 679152245 STKHADBYTWKVGG-UHFFFAOYSA-N 416.525 4.851 0 40 HJAB CCCc1c(NC(=O)c2ccc(NC(C)=O)c(Cl)c2)cnn1-c1ccc(F)cc1 1127972930 BIXUNXVDIYPOIY-UHFFFAOYSA-N 414.868 4.828 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2C)ccc1C 640349 BLDOOFCQKAHAKH-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB O=C(COc1ccc(Br)cc1)Nc1ncc(Cc2ccc(F)cc2)s1 940030 DGFUUGHYNAUOAJ-UHFFFAOYSA-N 421.291 4.653 0 40 HJAB COc1ccc(CN2C(=O)[C@H](C)N(C(=O)c3c(F)cccc3F)c3ccccc32)cc1 1385998 NSFFXGDUGIZIJN-HNNXBMFYSA-N 422.431 4.556 0 40 HJAB COc1cc(C(=O)OCCN(c2ccccc2)c2ccccc2)cc(OC)c1OC 1637937 FWHMUBHONTZAFC-UHFFFAOYSA-N 407.466 4.708 0 40 HJAB CN(C)C(=O)[C@H](c1ccccc1)C(c1ccccc1)[C@H](C(=O)N(C)C)c1ccccc1 1717693 HVCLVYPRLVRRIB-JWQCQUIFSA-N 414.549 4.514 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1nnc2cc(C)c3ccccc3n12 1924421 SCVVPBJPPRSCIP-UHFFFAOYSA-N 412.902 4.584 0 40 HJAB CC[C@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(OC)cc1)CC2=O)c1ccccc1 2421723 WTEAXSHWWMTPMI-ICSRJNTNSA-N 415.493 4.530 0 40 HJAB CSc1ccc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)N(C)C(=S)N2C)cc1 2648113 SYCFFKYLGJRIFT-LJQANCHMSA-N 415.559 4.664 0 40 HJAB CCn1cc(-c2ccnc(SCC(=O)c3ccc(Cl)cc3Cl)n2)c(C)n1 2731068 JKFBHTICVSHXLL-UHFFFAOYSA-N 407.326 4.950 0 40 HJAB COC(=O)c1ccccc1S[C@H](C)C(=O)NCCSc1ccc(Cl)cc1 3104389 NNJWKBGHTKVBJO-CYBMUJFWSA-N 409.960 4.516 0 40 HJAB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 5066827 GRYBUPGQWXZFDB-SMIHKQSGSA-N 412.489 4.609 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1C 5700796 SHUFMSCTANCWFM-UHFFFAOYSA-N 406.438 4.969 0 40 HJAB CC(C)NC(=S)Nc1ccc(Oc2ccc(NC(=S)NC(C)C)cc2)cc1 6245565 BMJQGMKVLYOSMP-UHFFFAOYSA-N 402.589 4.869 0 40 HJAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(Cl)cc1 6325035 KGWOVOOOPRUOEY-SRZZPIQSSA-N 404.695 4.647 0 40 HJAB Cc1cccc(OCCCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 6333529 WYGKVRVINVKWAA-UHFFFAOYSA-N 422.447 4.648 0 40 HJAB CCCCN1C(=O)CC[C@H](C(=O)NC2CCCCCC2)[C@@H]1c1ccc(OC)cc1 6508697 OJUNXKVLFVZVPY-GMAHTHKFSA-N 400.563 4.614 0 40 HJAB COc1ccc([C@@H](CN[C@@H](C)C(=O)Nc2ccccc2)c2c[nH]c3ccccc23)cc1 7546566 CWFUKMUVVOLMTD-FDDCHVKYSA-N 413.521 4.925 0 40 HJAB C[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc2c(c1)OCCO2 7734804 OCBGLKNQPRTJRM-INIZCTEOSA-N 411.461 4.559 0 40 HJAB CCN(CC)C(=S)SCc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 7900883 VEKZVAYKVJGUIW-UHFFFAOYSA-N 407.561 4.651 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 8879154 CVEWXPYKAOEYGA-FPOVZHCZSA-N 410.539 4.642 0 40 HJAB O=C(CSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1)c1ccccc1 9368392 XTECNHYYPIICCH-UHFFFAOYSA-N 423.441 4.784 0 40 HJAB O=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)c1ccccc1Cl 9568891 WRRCQLFEFQLRFL-UHFFFAOYSA-N 417.321 4.737 0 40 HJAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3ccc(F)cc3Cl)o2)cc1 10045065 QQJYGKDCHUFETO-UHFFFAOYSA-N 416.836 4.557 0 40 HJAB COc1ccc(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)o2)cc1OC 10220601 MWUXPTAJFUTCRB-UHFFFAOYSA-N 419.890 4.528 0 40 HJAB CC(C)(C)c1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)cc1 10360894 OWHCTOLEAXBVGN-UHFFFAOYSA-N 410.539 4.542 0 40 HJAB COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccc4nccnc4c3)C2)cc1 12420884 MGFZAJYPURMZIS-NRFANRHFSA-N 414.490 4.691 0 40 HJAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)cc1 12821775 ZIZQDAZZOFNQQH-DEOSSOPVSA-N 422.550 4.688 0 40 HJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2ccccc2)nn1-c1ccccc1 13128659 MHVSASXFCNFRTG-UHFFFAOYSA-N 424.504 4.628 0 40 HJAB FC(F)(F)CN(Cc1ccccc1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S 14186615 JDIYYQHGEFLPMY-UHFFFAOYSA-N 419.476 4.833 0 40 HJAB COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccco2)cc1OC 14608041 HGFLWAZFJWTZPF-NRFANRHFSA-N 403.438 4.647 0 40 HJAB COc1ccc(NC(=O)COc2cc(-c3ccc(OC)cc3)nc3ccccc23)cc1 16843074 WLRJWOWOMJOMJS-UHFFFAOYSA-N 414.461 4.937 0 40 HJAB CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2s1 17082765 ZCCTZJIIRAEQAB-UHFFFAOYSA-N 403.891 4.949 0 40 HJAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 19718156 XQYZTHZNSWFFOM-LJQANCHMSA-N 408.429 4.619 0 40 HJAB CC1CCN([C@H](CNC(=O)CCc2ncc(-c3ccccc3)o2)c2cccs2)CC1 22681481 TYLGSIJUAXUPJC-HXUWFJFHSA-N 423.582 4.925 0 40 HJAB CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 23057337 TUKJYGWWSLYWSB-MBSDFSHPSA-N 416.521 4.848 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncnc4ccccc34)cc2)cc1 24057496 DOAQTZWIZSZNHK-UHFFFAOYSA-N 405.479 4.556 0 40 HJAB COc1ccc(-[n+]2cc(-c3ccc(Br)cc3)n3c2SC[C@H]3C)cc1 27788662 CFYDGJHHXBNPOP-CYBMUJFWSA-N 402.337 4.870 0 40 HJAB O=C(NCCc1ccccc1F)c1ccccc1SCc1cn2ccccc2n1 28436188 XEGRYRYTHPNGCD-UHFFFAOYSA-N 405.498 4.738 0 40 HJAB CCSCn1nnc(-c2cccs2)c1C(=O)Nc1cccc(C(F)(F)F)c1 32611802 VLZDQSOBFQGRER-UHFFFAOYSA-N 412.462 4.988 0 40 HJAB COc1cc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(C)cc2)ccc1O 35323527 GNUUWQTWNIOKHE-XMMPIXPASA-N 411.461 4.849 0 40 HJAB CC(C)n1ncc2c(C(=O)Nc3ccc(Br)cc3F)c3c(nc21)CCC3 36364953 PDYTZRSHICWYQH-UHFFFAOYSA-N 417.282 4.655 0 40 HJAB CCc1nc(C)c2c(C)c(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)sc2n1 36396127 AZAMZHUWQSHCRQ-MRXNPFEDSA-N 423.538 4.619 0 40 HJAB Cc1noc(C)c1CSCC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 40040613 JOQUZRIPQPBWDM-UHFFFAOYSA-N 410.499 4.807 0 40 HJAB Cc1ccccc1[C@@H](C)NC(=O)CSCc1nc(-c2cccc(Cl)c2)no1 40067427 UPBMXQGHHGBFNB-CQSZACIVSA-N 401.919 4.809 0 40 HJAB O=C(Cc1ccc(Br)cc1)Nc1ccc(Sc2nncs2)cc1 40150649 VODYOKGCAXIJSE-UHFFFAOYSA-N 406.330 4.633 0 40 HJAB CCCN(Cc1cc(=O)[nH]c2c(OC)cccc12)C(=O)Nc1cccc(SC)c1 41089912 GOZOIFXKXFCURN-UHFFFAOYSA-N 411.527 4.703 0 40 HJAB Cc1nc(-c2ccc(CCNC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)cc2)cs1 59257872 ZFJQQUFIEHLSOX-UHFFFAOYSA-N 408.571 4.920 0 40 HJAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc(OC)c(OC)c1)C3 61997733 YLZHRUDEPKABMG-UHFFFAOYSA-N 409.482 4.505 0 40 HJAB biogenic CCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 65322229 REPFBYAHNWTSRM-UHFFFAOYSA-N 420.557 4.758 0 40 HJAB Fc1cccc(-c2nnc([C@H]3CC34CCN(c3ncnc5ccccc35)CC4)o2)c1 71890513 JBKGHCBCTSLRCO-GOSISDBHSA-N 401.445 4.593 0 40 HJAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccccc1C(F)(F)F 71980535 YJFARKRMFMBQRL-WGAFOPHPSA-N 413.436 4.564 0 40 HJAB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc3ncccc3c2)cs1 72274819 LQVPOYFLKYAKGH-UHFFFAOYSA-N 417.490 4.538 0 40 HJAB O=c1oc2ccccc2cc1-c1cn2cccc(-c3nc(-c4cccc(F)c4)no3)c2n1 72332502 XOBWKTVQODZAHO-UHFFFAOYSA-N 424.391 4.964 0 40 HJAB O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(O)=N2)c1ccc(-c2ccccc2)cc1 95476703 GMLAVLFVTDDXNV-JOCHJYFZSA-N 411.461 4.812 0 40 HJAB COc1ccc(-c2noc(CN(C)C(=O)CCSc3ccc(Cl)cc3)n2)cc1 95481675 SEBVNPZUFAOFSX-UHFFFAOYSA-N 417.918 4.539 0 40 HJAB CSc1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccc(F)cc3)C4)n2)cc1 97076809 YZGFZKYAIPDMOH-SFHVURJKSA-N 408.458 4.733 0 40 HJAB Cc1ccc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)c(OCc2ccccc2)c1 97164661 KODWGKHCXYWXFJ-JOCHJYFZSA-N 407.558 4.914 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 102441406 PKRMZTFBEZPGQU-WADIDORASA-N 408.546 4.518 0 40 HJAB O=C1[C@H]2[C@@H](c3ccccc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc2ccccc2c1 102723845 MUTCSHDRYWFKDV-ISJGIBHGSA-N 420.468 4.891 0 40 HJAB C[C@@]1(C(=O)NCCc2ccc(C(F)(F)F)cc2)CC(c2ccccc2Cl)=NO1 141568367 IYJSURGWZMNEAM-IBGZPJMESA-N 410.823 4.601 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O)N1CCCCC1 205802815 SOQDXQRFYDLLNW-HMMYKYKNSA-N 422.506 4.528 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 222506700 GZVGIIAESCBXGG-FQEVSTJZSA-N 418.990 4.764 0 40 HJAB Cc1ccc(CN(C(=O)CSCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222749600 ICSFVJDECOHGGV-IBGZPJMESA-N 412.599 4.560 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 222778657 RAKSWROCDZCQBL-HXUWFJFHSA-N 401.890 4.802 0 40 HJAB CC[C@H](NS(=O)(=O)Cc1cccc(Br)c1)c1ccc2c(c1)CCCC2 223129291 GJCHUNISSBTGCZ-FQEVSTJZSA-N 422.388 4.899 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 223222163 RDSXQKWQZGCPIT-JOCHJYFZSA-N 424.585 4.713 0 40 HJAB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 223337735 CVUZXRIESPMBBL-DHIUTWEWSA-N 414.534 4.946 0 40 HJAB COc1cc(C)c(S(=O)(=O)NCCSCc2ccc(C)cc2)cc1C(C)C 223447642 PVAKFGORQFIXPL-UHFFFAOYSA-N 407.601 4.647 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 223795530 QZBNLBSABOIMLO-OAQYLSRUSA-N 400.950 4.606 0 40 HJAB Cc1ccc(CCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 224621579 NKZSVQJAUCTJQS-XLNRJJMWSA-N 404.535 4.576 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1 225006342 OKJATKQJKAXUOM-XMMPIXPASA-N 406.570 4.876 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 225152035 KDGZWUJXSWWBGA-NRFANRHFSA-N 400.950 4.525 0 40 HJAB CC(C)c1ccc(-n2c(COc3ccc(Cl)cc3)nnc2SCC(=O)O)cc1 226819411 CHLZLBSLOIUZJR-UHFFFAOYSA-N 417.918 4.800 0 40 HJAB O=C(CN1CCC[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)Nc1ccc(F)cc1 257265269 LXYFUKPQBJCZCA-HXUWFJFHSA-N 421.491 4.769 0 40 HJAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2cc(Br)ccc2O)O[C@H]2C[C@@H](C)CC[C@@H]21 257292969 QNPYXOVBCUDXNQ-MDOTZSGJSA-N 424.379 4.952 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CCCCCC1 408584239 NIVUNZWNLPZDGD-UHFFFAOYSA-N 407.923 4.549 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(C)c(C)c3)cc2)cc1 409177635 HEFDCBVWQIBVAZ-UHFFFAOYSA-N 401.462 4.904 0 40 HJAB CCCCCN1C(=O)S/C(=C\c2ccc(OCC(=O)OCC)c(Cl)c2)C1=O 409202884 TUERKUYSKSMAHJ-WJDWOHSUSA-N 411.907 4.508 0 40 HJAB COc1ccc([C@@H](NC(=O)NCCn2cc(C(C)=O)c3ccccc32)C(C)C)cc1 604419570 LDIXGPJKZVWPDD-QHCPKHFHSA-N 407.514 4.549 0 40 HJAB Cc1cnc(Nc2cccc([C@@H]3CN(Cc4cn(C)c5ccccc45)CCO3)n2)s1 2037834507 LWNRZCVWQRZVOS-NRFANRHFSA-N 419.554 4.655 0 40 HJAB Cc1ccc(N(Cc2ccc(C(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1C 653201 MKNZTGQTCLYYAN-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB O=C(CCSc1nnc2ccccn12)Nc1cc(C(F)(F)F)ccc1Cl 942362 BMUXAFZISHDTLW-UHFFFAOYSA-N 400.813 4.522 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccccc2)sc2c1CC[C@@H](C)C2 2080076 XPVQTZGUOLVFTK-PBHICJAKSA-N 401.528 4.846 0 40 HJAB Nc1c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc2n1C1CCCCC1 2414923 LYOOPHMICZLNSL-UHFFFAOYSA-N 424.501 4.644 0 40 HJAB O=C(OCC(=O)N1CCCC1)c1oc2ccccc2c1CSC1CCCCC1 3280126 JFBIJMVWTVCVPD-UHFFFAOYSA-N 401.528 4.778 0 40 HJAB CCCSc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1c(C)cccc1CC 4059397 QJCXNGZYFWPVDV-UHFFFAOYSA-N 424.570 4.579 0 40 HJAB CCCCN1C(=O)[C@](O)(c2c(C)[nH]c3ccccc23)c2cc(Br)ccc21 4553717 OTIBOROKHUTHPL-OAQYLSRUSA-N 413.315 4.621 0 40 HJAB CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccc(F)c(F)c3F)ccc12 5348438 JJEQNRRYXHFJBL-NSHDSACASA-N 405.372 4.569 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2cc(C)ccc2C)NC(=O)N1 5559492 JLYCNWAPCPBBCT-SFHVURJKSA-N 403.404 4.589 0 40 HJAB Cc1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n(-c2ccccn2)n1 5603785 GGCNXRWMNUTLNG-UHFFFAOYSA-N 414.494 4.537 0 40 HJAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc2c(c1)CCC2 6653469 HSWSAHKVTXRKSG-UHFFFAOYSA-N 410.823 4.558 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 6767201 UJTRQYZCFUKTQT-INIZCTEOSA-N 421.928 4.951 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2nnc(Nc3cccc(C)c3C)s2)cc1 6790445 IOTHKSJBXRRJQA-UHFFFAOYSA-N 412.540 4.832 0 40 HJAB O=C(CCCSc1nncn1-c1ccccc1)c1ccc(Br)cc1 6867207 VWXNIRFIJHXDFH-UHFFFAOYSA-N 402.317 4.785 0 40 HJAB CC[C@H](C)Cc1c(C)sc2nc(CSc3nnc(C4CC4)n3CC)[nH]c(=O)c12 6934822 GINGKHQUDLTQEI-NSHDSACASA-N 417.604 4.663 0 40 HJAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=S)NCc1ccccc1 7676833 KXABZZFBTRGDSG-UHFFFAOYSA-N 400.500 4.827 0 40 HJAB Cc1cc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)ccc1Br 7920369 HULNMMYYTNYVPY-UHFFFAOYSA-N 407.695 4.790 0 40 HJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N[C@@H](c1ccc(Cl)cc1)C1CC1 8135581 AENSESYWZJHAHA-GOSISDBHSA-N 407.823 4.976 0 40 HJAB Cc1ccc(C(=O)O)cc1NC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1 8470107 HFKJIAPHIMTNCE-ACCUITESSA-N 400.434 4.597 0 40 HJAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccccc1Sc1ccccc1 9366567 LBPAMVLCOCVHGM-UHFFFAOYSA-N 418.518 4.982 0 40 HJAB COCCn1c(S[C@@H](C)C(=O)c2ccc(Br)cc2)nc2ccccc21 9467327 JQWJKXYYXYMUCX-ZDUSSCGKSA-N 419.344 4.809 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10314906 VPZIVCKREOCOGC-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB CCc1ccc([C@@H](NC(=O)c2cc(S(C)(=O)=O)ccc2C)c2cccs2)cc1 10447581 ONCUCAILEKWQFH-OAQYLSRUSA-N 413.564 4.542 0 40 HJAB CCc1sc(C(=O)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)cc1C 11918300 RESLFDSFYZBWET-UHFFFAOYSA-N 401.528 4.574 0 40 HJAB Cc1ccc(Nc2nc(Nc3cccc(Cl)c3C)nc(N3CCOCC3)n2)cc1C 12235157 RPJWKRKRGXYGAB-UHFFFAOYSA-N 424.936 4.774 0 40 HJAB CCc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)cc1 13583490 MRUCZVRJSDDYRV-UHFFFAOYSA-N 420.534 4.643 0 40 HJAB COc1ccc(-c2csc(NC(=O)CNc3ccc(Br)cc3)n2)cc1 14672796 LITPVLITYWZXLM-UHFFFAOYSA-N 418.316 4.632 0 40 HJAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(-c2cccs2)nc2onc(C)c12 14712691 LZTKYBNAOPOXFI-UHFFFAOYSA-N 422.462 4.828 0 40 HJAB COc1ccccc1-c1cc2c(SCC(=O)Nc3cccc(Cl)c3)nccn2n1 16842049 JHSJCEGTWOYAMS-UHFFFAOYSA-N 424.913 4.789 0 40 HJAB CCOC(=O)c1c(CN2CCOCC2)nc2ccc(Cl)cc2c1-c1ccccc1 19530716 IAKNSJIOSHKDFJ-UHFFFAOYSA-N 410.901 4.564 0 40 HJAB Cc1noc2nc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)cc(C(F)(F)F)c12 19564776 FSXPGUZORHADHZ-UHFFFAOYSA-N 421.394 4.638 0 40 HJAB CCCc1c(-c2ccccc2)nc(Nc2nc(C)c3cc(OCC)ccc3n2)[nH]c1=O 20634036 UPPJACSFSAVIFS-UHFFFAOYSA-N 415.497 4.783 0 40 HJAB CCOc1ccccc1NC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1 22839939 DSXHXXKDRBEBQQ-UHFFFAOYSA-N 401.466 4.873 0 40 HJAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C1(c2ccccc2)CCC1 25539481 VSMIUUQPVPQAAR-UHFFFAOYSA-N 424.497 4.687 0 40 HJAB CC(C)c1noc([C@@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)n1 27776514 AFKMTEIEWZMXAU-CHWSQXEVSA-N 405.549 4.545 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(Cc2ccccc2F)c1 28303624 GSHBOSOFCQDDGN-LBPRGKRZSA-N 408.260 4.783 0 40 HJAB COc1cccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc23)c1 28535397 MWYBFHOXAOWLEC-UHFFFAOYSA-N 419.868 4.826 0 40 HJAB O=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1ccc(Cl)cc1C(F)(F)F 28794454 KZNMACTXZDFQIE-UHFFFAOYSA-N 414.188 4.542 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3ccc(OC)cc3C)c3c(C)nn(C)c3n2)c1 36615859 YGBPEVSXDZTYTR-UHFFFAOYSA-N 416.481 4.522 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)o2)s1 39749692 CNVDZFDPMPCMHH-UHFFFAOYSA-N 404.451 4.611 0 40 HJAB Cc1ccc(C(=O)C2CCN(C(=O)c3cc(Br)ccc3F)CC2)c(C)c1 40081737 VFMXBFBNBSKUGI-UHFFFAOYSA-N 418.306 4.940 0 40 HJAB O=C(NC1CCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1)c1ccccc1 40103593 OWZOOVBEBXYIEZ-UHFFFAOYSA-N 411.505 4.684 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)c1C 55593308 CCWJXBCDLQDJKG-KBPBESRZSA-N 409.530 4.513 0 40 HJAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccccc1Cl 57316112 XGYLVCHHQIKUMC-UHFFFAOYSA-N 413.886 4.621 0 40 HJAB CCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2c(oc3ccccc32)c1=O 57523177 VJAITPAYYPTLOZ-UHFFFAOYSA-N 421.522 4.900 0 40 HJAB CN(C)C(=O)Cn1ccc2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc21 58004074 FCOQCPSAVFSTAD-UHFFFAOYSA-N 411.505 4.500 0 40 HJAB Cc1nc(-c2ccco2)nc2sc(C(=O)NCc3ccc([C@H](C)O)cc3)c(C)c12 65591578 MRMQPCMTFIOCCT-AWEZNQCLSA-N 407.495 4.551 0 40 HJAB C[C@@H](Sc1nncn1C)C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 72261701 WMRRZYMGQJSGCO-CQSZACIVSA-N 421.551 4.725 0 40 HJAB CC(C)(CCC(=O)OC(C)(C)C)Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 72307736 FMNBCGKXPREILY-UHFFFAOYSA-N 410.440 4.870 0 40 HJAB Cc1oc(-c2cccs2)nc1CC(=O)NC1(c2ccc(Cl)cc2)CCOCC1 84053168 FDGWEMJYUMELFN-UHFFFAOYSA-N 416.930 4.730 0 40 HJAB Cc1ccc(Cl)c2s/c(=N\C(=O)c3ccc(Br)s3)n(C)c12 100823869 PKQUYSFPTUBSJW-VKAVYKQESA-N 401.738 4.767 0 40 HJAB CCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1cc(OC)c(OC)c(OC)c1 101192258 GMDDZILCCHIIHC-UHFFFAOYSA-N 411.454 4.533 0 40 HJAB biogenic CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1Cl 216239019 YKYUTNWHULYKLW-UHFFFAOYSA-N 416.886 4.756 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222558177 ZVIQDRNGSJBQOB-OAQYLSRUSA-N 400.950 4.605 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1c1ccc2c(c1)OCO2 224000282 ASEOQTBDKZPSNB-ROUUACIJSA-N 415.927 4.702 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCC1(c2ccccc2)CCOCC1 224474606 ZOJFOEFGDXKSIA-NRFANRHFSA-N 401.934 4.670 0 40 HJAB Cc1ccccc1CN(C(=O)CCc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1 224680159 WTXLGHBUQFZSDU-NRFANRHFSA-N 406.570 4.794 0 40 HJAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(Br)c(C)c1 225786264 AVPOYBMZKQSHCY-CYBMUJFWSA-N 409.349 4.520 0 40 HJAB CC(C)c1ccc(NC(=O)CN2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1 257222290 DSSITBDOODWRMY-AOYPEHQESA-N 422.569 4.589 0 40 HJAB FC(F)(F)c1ccccc1Cc1cccc([C@@H]2CN(Cc3cccnc3)CCO2)n1 257314876 UYXSVYLSKNZWFQ-QFIPXVFZSA-N 413.443 4.660 0 40 HJAB O=C(O)c1cccc(Cl)c1OCC(=O)N(CCc1ccccc1)Cc1ccccc1 257321951 WEAXVFQJIBTEGR-UHFFFAOYSA-N 423.896 4.689 0 40 HJAB CCc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 409004808 DQZNXELPKCIRFI-UHFFFAOYSA-N 414.571 4.520 0 40 HJAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Cl)c1O[C@H](C)CC 409128787 KXCPAKHTXXZTCE-PILJQMSFSA-N 413.923 4.599 0 40 HJAB CCc1s/c(=N\C(=O)c2ccccc2Br)n(C)c1-c1ccccc1 409196131 TWXVJAVEYWFOPE-VZCXRCSSSA-N 401.329 4.820 0 40 HJAB O=C(c1cccc(O)c1)N1CC2(CCOCC2)c2cc(-c3ccc(F)cc3)ccc21 585105833 RYPKPAXYYHKKLB-UHFFFAOYSA-N 403.453 4.907 0 40 HJAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3[C@H](C)Cc4cc(F)ccc4[C@H]3C)C2)c1 1544830429 VRDNYCFCYLGGIG-AQNXPRMDSA-N 422.544 4.829 0 40 HJAB O=C(OCCF)N1CCC([C@@H]2CCCCN2Cc2ccc(Cl)cc2F)CC1 2056225931 FRJQOPKQXNSANP-IBGZPJMESA-N 400.897 4.652 0 40 HJAB Cc1nc(SCC(=O)c2ccc3c(c2)OCCO3)c2c3c(sc2n1)CCCC3 715665 WRIJFOFBIYZJTJ-UHFFFAOYSA-N 412.536 4.625 0 40 HJAB CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 1295078 SLGPKVBCGDIDII-LJQANCHMSA-N 421.884 4.747 0 40 HJAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(c2nc3ccccc3s2)CC1 1327479 FJSAJXFWPFEYSR-UHFFFAOYSA-N 406.960 4.826 0 40 HJAB COc1ccc2cc(CN(Cc3cccs3)C(=O)c3ccccc3F)c(=O)[nH]c2c1 1366670 XWYVGHZJAPSXTD-UHFFFAOYSA-N 422.481 4.580 0 40 HJAB Cc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)c1C 1379972 ZEGAPPKPPWJMTM-QHCPKHFHSA-N 417.509 4.738 0 40 HJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H](C)SC2=N1 2256386 WVKQZNGKFUZXKK-MEBBXXQBSA-N 413.326 4.594 0 40 HJAB CC(C)Sc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)C[C@@H](C)CC4 2292037 CJJFKXOWFXKMMY-ZDUSSCGKSA-N 410.568 4.720 0 40 HJAB COc1cccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCC4)c1 2369173 NGKQBFULFHLNCZ-UHFFFAOYSA-N 405.479 4.888 0 40 HJAB CC(C)C(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccc(Cl)cc1)N2 2421111 UGTOXIVUUDKUPL-QZTJIDSGSA-N 413.884 4.811 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCOc1ccc(C(C)(C)C)cc1 3259010 KDBDONWUUJQWAD-UHFFFAOYSA-N 403.906 4.897 0 40 HJAB Cc1ccnc2nc(C(=O)N(c3ccc(Cl)cc3)c3nc4ccccc4s3)nn12 3452930 NPEQBRXEZPXJQU-UHFFFAOYSA-N 420.885 4.674 0 40 HJAB COc1cccc(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)c1OC 4176167 QNNQZDNEYLMWSN-UHFFFAOYSA-N 409.511 4.505 0 40 HJAB CC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)cc1 4555375 CHDFRFJFQCCGKU-SANMLTNESA-N 417.480 4.957 0 40 HJAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)C12CC3CC(CC(C3)C1)C2 4556173 SNRUCBFFVVLFCI-XRXOXJPUSA-N 415.533 4.597 0 40 HJAB Cc1cccc(-c2nc(CCNS(=O)(=O)c3ccc4ccccc4c3)cs2)c1 4570711 GFWABJPGWDUTAQ-UHFFFAOYSA-N 408.548 4.793 0 40 HJAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 6547596 FLLLNTUNMQPFAJ-UHFFFAOYSA-N 406.482 4.642 0 40 HJAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1C 6623484 BBGBMMHPCOEFDH-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB COCCNC(=O)CCc1c(C)c2cc3c(-c4ccccc4)c(C)oc3cc2oc1=O 6623895 WOODBQSWXGWXPU-UHFFFAOYSA-N 419.477 4.518 0 40 HJAB biogenic O=C(/C(=C/c1ccc(-c2ccccc2)cc1)c1nc2ccccc2[nH]1)N1CCOCC1 6653153 FFDCVKRXHQXXDW-RELWKKBWSA-N 409.489 4.629 0 40 HJAB CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4F)o2)N3)C1 6762597 VYBVVRPWZVFLOF-HXUWFJFHSA-N 411.502 4.768 0 40 HJAB Cc1cc(OCCSc2nnc(-c3ccccc3Cl)n2N)ccc1C(C)C 6786824 LIKVFBIKEDDULQ-UHFFFAOYSA-N 402.951 4.915 0 40 HJAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CSC(c1ccccc1)c1ccccc1 6840228 KPZDMPUSZZFVJG-RXVVDRJESA-N 411.567 4.747 0 40 HJAB CCCSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1 7345013 QDWZFUPALLPVSK-UHFFFAOYSA-N 410.587 4.602 0 40 HJAB O=C(CN1CC=C(c2ccccc2)CC1)N1CCC(c2nc3ccccc3s2)CC1 7647361 CHRCJRUKGHCPIX-UHFFFAOYSA-N 417.578 4.792 0 40 HJAB Cc1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 7718120 CJXXLGVSLAIWHS-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB O=C([C@H](Sc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1)N1CCCCC1 7861765 KVUKWMQRNLHKKS-OAQYLSRUSA-N 419.550 4.577 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2ncnc3ccccc23)C1=O 8157334 RZRDBOLVDCKWBU-GOSISDBHSA-N 411.914 4.597 0 40 HJAB O=C1Nc2cc(Cl)ccc2Oc2ccc(NS(=O)(=O)c3cccs3)cc21 8961363 XTRIENDKRLOAGX-UHFFFAOYSA-N 406.872 4.560 0 40 HJAB O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)Nc1ccccn1 8990755 RUUPMMBZKZWUIX-UHFFFAOYSA-N 406.825 4.526 0 40 HJAB Cc1ccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc3c2cnn3C)cc1 9273256 VBLIQLJCVUARMV-UHFFFAOYSA-N 412.541 4.874 0 40 HJAB CC(=O)c1ccccc1OCCSc1nnc(-c2ccco2)n1Cc1ccccc1 9366296 PJRSLUQMHVQJQR-UHFFFAOYSA-N 419.506 4.960 0 40 HJAB Cc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)n2)cc1 10253362 BBISSSADIOVQGW-UHFFFAOYSA-N 400.525 4.553 0 40 HJAB COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H](C(F)(F)F)C3)s2)cc1OC 10289809 UPLDWLKPFKWFCE-CYBMUJFWSA-N 414.449 4.550 0 40 HJAB CCn1ccc(C(=O)N(Cc2ccccn2)c2nc3c(C)c(Cl)ccc3s2)n1 11696672 NIMOSYFODNECTC-UHFFFAOYSA-N 411.918 4.717 0 40 HJAB O=C1Nc2ccc(Cl)cc2[C@]12Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 12130058 MQKRRQAAPHNTSO-UWJYYQICSA-N 407.882 4.750 0 40 HJAB CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1OCC 12601828 NXEDPIQJJDBZRW-PKHIPVCBSA-N 405.498 4.737 0 40 HJAB CCN(Cc1ccc(OC)c(F)c1)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 12761609 XMAIPSMQZWHILB-UHFFFAOYSA-N 423.513 4.821 0 40 HJAB CCN(C(=O)CSc1nnc([C@H](C)Oc2ccccc2F)o1)c1ccccc1C 12983272 IGQDBSXBMGUCIU-HNNXBMFYSA-N 415.490 4.802 0 40 HJAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc(Cl)cc1)C2=O 13073992 GDOQWBUIRFJXKB-UHFFFAOYSA-N 405.970 4.646 0 40 HJAB CC(C)CC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(C(C)C)c1ccccc12 13635259 WCYHBYSIVYICCN-SANMLTNESA-N 415.537 4.597 0 40 HJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 13685567 FLCLUWCXYACMTC-HNNXBMFYSA-N 400.906 4.809 0 40 HJAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1 13689585 BPUGHZMUSVNPKN-AOCRQIFASA-N 413.562 4.546 0 40 HJAB CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714655 FIJIQRPHKDCLRF-LJQANCHMSA-N 408.951 4.647 0 40 HJAB CC[C@H](c1nnc(SCc2cc(-c3ccco3)on2)n1Cc1ccccc1)N(C)C 14244640 QRUFEVADHITNQG-GOSISDBHSA-N 423.542 4.879 0 40 HJAB C[C@H](NC(=O)COC(=O)/C=C/c1cccc2cccnc12)c1cccc2ccccc12 14812652 AVIZYQISZHKCHG-JJJPLKNQSA-N 410.473 4.822 0 40 HJAB COc1ccc(-c2noc(CCC(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1OC 15579127 RBVIRBSTAWAQQP-UHFFFAOYSA-N 422.268 4.632 0 40 HJAB CCCCCc1nnc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)s1 15606236 OQKNEIOFYBPYRS-UHFFFAOYSA-N 404.536 4.548 0 40 HJAB O=c1c2ccccc2nc(SCc2ccc(-n3cccn3)cc2)n1Cc1ccco1 16662834 RTULQROLAOZKOG-UHFFFAOYSA-N 414.490 4.516 0 40 HJAB COP(=O)(OC)c1nc(Cc2cccc3ccccc23)oc1NCc1cccnc1 16806409 LSJDFGRPLYMMIV-UHFFFAOYSA-N 423.409 4.537 0 40 HJAB O=C(NC1CC1)c1cccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)c1 16966107 MXOPEWKXQAYOGP-UHFFFAOYSA-N 404.441 4.549 0 40 HJAB O=C(Cc1c(F)cccc1Cl)Nc1ccnn1Cc1ccc(Br)cc1 18090093 JBHZFSCLBRPHSV-UHFFFAOYSA-N 422.685 4.668 0 40 HJAB O=C(C1CC1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3cccc(Cl)c3)CC[C@H]21 19293417 APARPZQEWROFHJ-DNVJHFABSA-N 412.936 4.706 0 40 HJAB CC(C)c1ccc2oc(=O)cc(CN3CCN(C/C=C/c4ccccc4)CC3)c2c1 19371466 UBFSOHXIZAXXHT-RMKNXTFCSA-N 402.538 4.747 0 40 HJAB COc1ccccc1-c1cc(C(=O)Nc2ncc(Cc3ccccc3F)s2)[nH]n1 19571553 RLCWBMOCMJNQSW-UHFFFAOYSA-N 408.458 4.524 0 40 HJAB Cc1ccc2c(C)c(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCOCC3)oc2c1 19901897 WSXWQVYSQDZXNK-HXUWFJFHSA-N 412.917 4.506 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)ccc1Cl 19932238 FEHRPDYLJCPILH-GFCCVEGCSA-N 423.918 4.653 0 40 HJAB Clc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)cc1 20121021 OXUFSEORVRIMTA-QFIPXVFZSA-N 407.949 4.979 0 40 HJAB O=C(NCc1ccccc1)N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 20522659 WYXFWOHPHGCPNS-HXUWFJFHSA-N 418.884 4.979 0 40 HJAB CCOC(=O)c1nnc2c(-c3ccccc3)c(C)nn2c1CSc1ccc(C)cc1 20633611 RLHZODOCZQICOA-UHFFFAOYSA-N 418.522 4.877 0 40 HJAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cccc2ccccc12 21636937 JGYLIGPOXGFTBC-UYAOXDASSA-N 401.510 4.961 0 40 HJAB Cc1cccc(C)c1N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 22273729 OVMOTEYYHQXBFB-UHFFFAOYSA-N 424.522 4.500 0 40 HJAB CCOc1ccc(N2C3=[N+](CCCCC3)[C@@](O)(c3ccc(OCC)cc3)[C@H]2C)cc1 27028248 GEKBWPZLZZOYJF-CLOONOSVSA-N 409.550 4.523 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)c(C)c1 28206840 WTDRPTATKJLIFF-SFHVURJKSA-N 420.534 4.696 0 40 HJAB C[C@H](NC(=O)CSc1nc(NC2CC2)c2ccccc2n1)c1ccccc1Cl 32624456 KXLAFGNRHVGSCY-ZDUSSCGKSA-N 412.946 4.827 0 40 HJAB COc1ccccc1[C@H](NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1)c1nccn1C 32802520 CTZCARFWINPMPN-JTSKRJEESA-N 406.530 4.702 0 40 HJAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1OC 33000121 ZHWGUABSRBUKJL-UHFFFAOYSA-N 415.877 4.677 0 40 HJAB Cc1ccc2nc(C(F)(F)F)n(CC(=O)N[C@H]3CC(C)(C)Oc4ccccc43)c2c1 35322703 UWTXHEPOJPWOQI-INIZCTEOSA-N 417.431 4.782 0 40 HJAB CCn1c(=O)c(C)nc2cc(C(=O)N(C)C(c3ccccc3)c3ccccc3)ccc21 39977918 UGELBNCLAIQQQQ-UHFFFAOYSA-N 411.505 4.586 0 40 HJAB COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4C)ccc3o2)c1 40717321 XHTVXLUKQGPTKD-UHFFFAOYSA-N 417.490 4.939 0 40 HJAB Fc1ccccc1Nc1nc(-c2ccncc2)nc2c1CN(Cc1ccccc1)CC2 57774619 JXDIZJUAQDNVKK-UHFFFAOYSA-N 411.484 4.980 0 40 HJAB COc1c(Cl)cc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cc1Cl 58134438 TVRUGFQIRMXBRZ-MRXNPFEDSA-N 407.341 4.644 0 40 HJAB CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 59413255 FRHUMRLAGOZROS-CQSZACIVSA-N 421.584 4.877 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCC(C)CC2 71327875 IJPYHWHJBZJLIX-UHFFFAOYSA-N 423.944 4.825 0 40 HJAB Cc1cccc(Nc2cccc([C@@H]3CCCN3C(=O)COc3ccc(F)cc3F)n2)n1 72375515 XSUYZKJKWVTRKJ-IBGZPJMESA-N 424.451 4.549 0 40 HJAB Cn1cc(Nc2cccc(NC(=O)c3ccc(Br)cc3Cl)c2)cn1 78968687 UADRASMQCBRVPI-UHFFFAOYSA-N 405.683 4.832 0 40 HJAB COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)c2cccs2)cc1 95945197 MLXVSBFHOYFYGD-FQEVSTJZSA-N 422.506 4.765 0 40 HJAB CN(Cc1ncc(-c2ccc(F)cc2)o1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95951874 LBOHRAKBQWXCHD-FXAWDEMLSA-N 407.272 4.878 0 40 HJAB Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc2O3)s1 96053320 VCAXXYWGMVWZKC-LJQANCHMSA-N 412.599 4.872 0 40 HJAB O=C1C[C@H](N2CCC(Cc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 100237982 MSQGTYXCOYTERD-FQEVSTJZSA-N 417.336 4.580 0 40 HJAB CCn1cc(-c2cc(C(=O)NCC(C)(C)c3cccc(F)c3)c3ccccc3n2)cn1 141545496 VGUQZGJUFDHBHA-UHFFFAOYSA-N 416.500 4.965 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 222607765 OEAFVUYDAKVZOB-NRFANRHFSA-N 416.562 4.640 0 40 HJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 222938141 MZFGUZSVVCLQBP-LEWJYISDSA-N 421.522 4.668 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 223302720 VRGSQMZPGDUIMR-JOCHJYFZSA-N 424.585 4.713 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCC2CCCCCC2)c1 223944404 AFRNGVOVEDNRGO-UHFFFAOYSA-N 414.571 4.886 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 224549609 NXHNYOQLSPWDQM-QFIPXVFZSA-N 414.977 4.852 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 225240660 LYMXLJHAJLAMJM-IRXDYDNUSA-N 418.940 4.744 0 40 HJAB CC[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 225361997 KMYFEUHGGLRQKF-SFHVURJKSA-N 414.354 4.597 0 40 HJAB CCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccc(F)cc2)n(C[C@@H](O)CC)n1 257235855 GZVLHIVYZLDDSN-SFHVURJKSA-N 412.461 4.614 0 40 HJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)Cc3ccc(OC)cc3)CC2)n1 257289083 PWXOYSXIGGBCBU-UHFFFAOYSA-N 419.525 4.565 0 40 HJAB CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)C(=O)c1ccccc1 408648261 JWCQUXZVHPMCGS-WMLDXEAASA-N 420.292 4.551 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)cc1Cl 409182059 IAIODMQSTZCWLJ-HYZSBJHASA-N 412.898 4.880 0 40 HJAB CCCOc1c(Br)cc(/C=C2\SC(=O)N(CC)C2=O)cc1OCC 409345464 IYCIJMRKVHCZPL-UVTDQMKNSA-N 414.321 4.693 0 40 HJAB C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 536763633 OJCOSWPNBGNDBX-ZTNFWEORSA-N 406.448 4.713 0 40 HJAB COc1ccc2cc(CN(C(=S)Nc3ccc(C)cc3)C3CCCC3)c(=O)[nH]c2c1 879778 QAAXFDSTYWCODD-UHFFFAOYSA-N 421.566 4.987 0 40 HJAB CCc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 919660 AMBBCTRLNVODAY-PBHICJAKSA-N 404.392 4.951 0 40 HJAB Cc1ccc(S(=O)(=O)NC[C@@H](Nc2cccc(Cl)c2)c2ccccc2)cc1 1068226 FQWOJNQDLFSGPY-OAQYLSRUSA-N 400.931 4.780 0 40 HJAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(C(=O)c1ccccn1)c1ccccc1 1339021 DNGNPUCBTKGKFO-QFIPXVFZSA-N 419.550 4.980 0 40 HJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@H](C(C)C)OC3 2269097 KZCFVTCBBGNQRL-INIZCTEOSA-N 400.569 4.965 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 2396164 DUBJVFOYAQKRKY-UHFFFAOYSA-N 424.551 4.996 0 40 HJAB COc1ccc([C@@H](O)[P@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 2397668 ZBCHVPFBTSZELS-MUAVYFROSA-N 411.438 4.573 0 40 HJAB COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1F 2623082 QOTQIPTWXBSGRQ-UHFFFAOYSA-N 422.481 4.834 0 40 HJAB O=c1c2c(nc(SCc3ccccc3Cl)n1-c1ccc(F)cc1)CCS2 2719976 NIBKAAMSYVSHTM-UHFFFAOYSA-N 404.919 4.966 0 40 HJAB O=C1[C@H](Cc2ccccc2)N=C2c3ccccc3N=C(SCc3ccccc3F)N12 2964384 OMKYYUUQQQUZCC-NRFANRHFSA-N 415.493 4.960 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3nc(C)c(Cl)cc3Cl)n2C)c1 3389338 QMVLTJIVHFVIPJ-UHFFFAOYSA-N 422.341 4.532 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)no2)c1 4078533 UWPLXONGQBKBLY-UHFFFAOYSA-N 422.872 4.809 0 40 HJAB COc1ccc(C)cc1N1C(=O)N[C@H]2C[C@]1(C)Oc1ccc(Br)cc12 4908252 WXXKEDHJPXFSEI-LIRRHRJNSA-N 403.276 4.536 0 40 HJAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1Cl 6152779 AVVQJTUFTZVMFU-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cc1C 7983359 NWPOCPYEOGLPIQ-CQSZACIVSA-N 420.962 4.630 0 40 HJAB CN(c1ccccc1C(=O)Nc1cccc2ccccc12)S(=O)(=O)c1ccccc1 8091348 IKDRHBZXAFEJQB-UHFFFAOYSA-N 416.502 4.917 0 40 HJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N[C@H](c1ccc(Cl)cc1)C1CC1 8135584 AENSESYWZJHAHA-SFHVURJKSA-N 407.823 4.976 0 40 HJAB CCOc1ccccc1-c1noc(CSc2nnc(-c3ccccc3)n2CC)n1 8339841 CTXFOIODADZMMW-UHFFFAOYSA-N 407.499 4.706 0 40 HJAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1C 8673127 DFWULDAOHNPELU-UHFFFAOYSA-N 407.514 4.782 0 40 HJAB CCCCc1ccc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)cc1 9308530 NXZFNEOUAWSFDE-UHFFFAOYSA-N 419.348 4.794 0 40 HJAB CCOC(=O)C1CCN(C(=O)[C@@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)CC1 9420156 LKICZSDEPUKZAX-AWEZNQCLSA-N 412.917 4.880 0 40 HJAB O=C(Cc1cccs1)Nc1sc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2 9429669 NVDKGSHVMBYXAP-UHFFFAOYSA-N 421.499 4.900 0 40 HJAB COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)n1 10577732 MFAFBIHAVZFPOE-UHFFFAOYSA-N 407.495 4.728 0 40 HJAB CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCc4ccccc4C3)c(O)n2n1 12341917 RGMVHDMPFVLVOA-LJQANCHMSA-N 424.957 4.860 0 40 HJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2C[C@H](C)C[C@@H](C)C2)cc1 12419423 MJVGAHJLDCFNMM-HZPDHXFCSA-N 400.500 4.558 0 40 HJAB Nc1nc(CN[C@H](c2ccccc2)c2ccc(Cl)cc2)nc(Nc2ccccc2)n1 12607696 IDRQDLUXNDSRHK-OAQYLSRUSA-N 416.916 4.730 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CNc1ccccc1Oc1ccccc1 12631749 YKAGUVBFLJZYFK-UHFFFAOYSA-N 423.900 4.608 0 40 HJAB COC(=O)C1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 13672417 MIBRYQHXQYKNHM-UHFFFAOYSA-N 403.931 4.658 0 40 HJAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]32C(=O)N(C)c3ccc(C)cc32)cc1 13810386 AOULRMHNQOUIKM-OZXSUGGESA-N 409.489 4.676 0 40 HJAB C[C@H](Sc1nnc([C@H](C)Oc2ccccc2F)o1)C(=O)Nc1ccc(Cl)cn1 14112931 HYSNZGSUFZIYHH-QWRGUYRKSA-N 422.869 4.516 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccccc2)cc1 14609674 YLNAFALBJZBGIK-UHFFFAOYSA-N 404.857 4.849 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cccc(N(C)C)c1)CC2 16002273 OUJGYUDOAIVNLL-RUZDIDTESA-N 416.521 4.558 0 40 HJAB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(F)c(Cl)c1 16899420 KTFKNYDHZABQRL-AWEZNQCLSA-N 418.799 4.940 0 40 HJAB Cc1cc(-n2c(C)cc(C(=O)CSc3ncc(-c4ccc(F)cc4)[nH]3)c2C)no1 17750158 SNSHWMZIYLVJLV-UHFFFAOYSA-N 410.474 4.895 0 40 HJAB O=C(COc1ccc(Cl)cc1)N1CCN(C2CCC(c3ccccc3)CC2)CC1 19889358 UHXNLSDTCHUTCO-UHFFFAOYSA-N 412.961 4.589 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nc(-c2cccc(F)c2)cs1 21669472 WOWZLBHNMNFIJF-FQEVSTJZSA-N 407.470 4.852 0 40 HJAB CCC[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccccc3)N2C1=O 21936255 NFBWYWYEQGITHX-MOPGFXCFSA-N 420.538 4.596 0 40 HJAB Clc1ccc(OCc2nnc(SCc3noc(-c4cccs4)n3)o2)cc1 30024875 VARFKLHVRKTVKY-UHFFFAOYSA-N 406.876 4.706 0 40 HJAB CC[C@@H](SCc1csc(-c2ccc(OC)cc2)n1)C(=O)Nc1cc(C)on1 31413655 VAJSPTLPRBYAMU-MRXNPFEDSA-N 403.529 4.766 0 40 HJAB CCn1cc(C(=O)Nc2cccc(Br)c2)c(=O)c2cc(Cl)ccc21 32607791 AAZVLFFZDQHAMC-UHFFFAOYSA-N 405.679 4.690 0 40 HJAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccccc1Br 32610035 ZLLNAMZXPGXSPV-UHFFFAOYSA-N 408.658 4.739 0 40 HJAB Cc1nc2ccc(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)cc2nc1C 32841481 ADPUYDVSZCAFEV-OAQYLSRUSA-N 408.571 4.511 0 40 HJAB Fc1ccccc1N1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1 33266292 LUHBMOKCIHLADL-UHFFFAOYSA-N 407.880 4.515 0 40 HJAB CCOC(=O)c1cccc(Nc2c(-c3ccc(O)c(OC)c3)nc3ccc(C)cn23)c1 35616470 JQCZYLPBIRIIEO-UHFFFAOYSA-N 417.465 4.944 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CSc1nc2ccccc2s1 39981896 XCNLMDSZFWFOJH-UHFFFAOYSA-N 408.552 4.507 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)ccc1Cl 44939615 SLENRXJESSPNFU-INIZCTEOSA-N 418.896 4.507 0 40 HJAB COc1cccc([C@@H]2SCC(O)=Nc3c2cnn3C)c1OCc1cccc(C)c1 49550223 SXASKSDXSCIZTE-NRFANRHFSA-N 409.511 4.740 0 40 HJAB COc1ccc(NC(=O)CSc2cc(C)nc(-c3cccc(F)c3)n2)cc1Cl 67257334 YFQUNEQRXKSOSL-UHFFFAOYSA-N 417.893 4.984 0 40 HJAB Cc1nc2cc(C(=O)N3CCC[C@H]3c3ccnc(-c4cccc(Cl)c4)n3)ccc2[nH]1 72355861 IMBIHWMTQSJACR-NRFANRHFSA-N 417.900 4.959 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccccc3C)cc2)cc1C 89689129 DRDZIGOIECKZLV-UHFFFAOYSA-N 409.507 4.656 0 40 HJAB CC(C)(C)OC(=O)NC1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 95087272 ROUKPSOLMLXRRE-UHFFFAOYSA-N 424.520 4.717 0 40 HJAB C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)N1[C@H](C)CCC[C@H]1C 102547404 JVQMYTVWBQRPME-UPJWGTAASA-N 423.380 4.504 0 40 HJAB Cc1ccc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)cc1 113965061 UBFIURXUGLUQBV-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB C[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 222733924 USMOKQUGYDVCRX-LBPRGKRZSA-N 412.338 4.875 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)cc1 224758433 RECNBGDCJDKBCY-NRFANRHFSA-N 406.570 4.712 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 224849347 YMOJKCQTLPHGCA-SFHVURJKSA-N 416.562 4.560 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 225579352 LMKDBDBMJGLUNE-XUZZJYLKSA-N 408.586 4.876 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 225596454 WGZZBFZQWOQUCF-INIZCTEOSA-N 421.368 4.868 0 40 HJAB CCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225713311 RLOQXKSSIAZNCF-UHFFFAOYSA-N 408.570 4.557 0 40 HJAB CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cc1C(=O)OC 225853711 HHIQLGUTPHHEGM-UZUQRXQVSA-N 405.535 4.966 0 40 HJAB COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(Cc4ccco4)C3)nn2c1 306134211 NFTOKLJOVKHYBP-QGZVFWFLSA-N 406.461 4.517 0 40 HJAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1F 408556393 KEWFDBAHFYBMKE-UHFFFAOYSA-N 412.436 4.993 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccccc1 408812760 NTEGZXIBJLICRM-BOPFTXTBSA-N 403.887 4.984 0 40 HJAB Oc1c(Br)cc(-c2nc3ccccc3s2)c(O)c1Br 409260503 RFDYLVFEBHHQCI-UHFFFAOYSA-N 401.079 4.900 0 40 HJAB O=C(Nc1nc([C@H]2CCCN2Cc2ccc(Cl)cn2)cs1)c1ccc(F)cc1 585295213 QFSCQLSEGIMIRA-GOSISDBHSA-N 416.909 4.920 0 40 HJAB CCC(CC)CN1CCC2(CC1)C[C@@H](CC(=O)NCC(C)C)c1ccccc1O2 1201528329 OQIKEVJGUIEESN-OAQYLSRUSA-N 400.607 4.986 0 40 HJAB CCOc1cc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)cc(Cl)c1O 1651899438 NFORAEJOSKNOIW-LJQANCHMSA-N 401.890 4.773 0 40 HJAB Cc1cc(OC[C@]2(O)CCCN(C(=O)c3ccc(F)cc3)CC2)cc(C)c1Cl 2037912711 WPRFLASSRODXJJ-QFIPXVFZSA-N 405.897 4.532 0 40 HJAB COC(=O)c1c(NC(=O)c2ccccc2C)sc(C(=O)Nc2ccccc2)c1C 676526 ZKJWTSLQBZWVLY-UHFFFAOYSA-N 408.479 4.656 0 40 HJAB COC(=O)c1c(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc(C(C)=O)c1C 1107928 BJNZYNXKIRYYLW-BXKDBHETSA-N 404.315 4.575 0 40 HJAB Cc1ccc2cc(CN(Cc3ccccc3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1 1352834 VHQQCXLDHUEPSL-UHFFFAOYSA-N 411.505 4.749 0 40 HJAB Cc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)c1C 1379973 ZEGAPPKPPWJMTM-HSZRJFAPSA-N 417.509 4.738 0 40 HJAB CCc1cc(=O)oc2c(C)c(OC(=O)CCCCCNC(=O)OC(C)(C)C)ccc12 2095356 IVRSZRRJERNZTA-UHFFFAOYSA-N 417.502 4.654 0 40 HJAB biogenic COc1ccc(-c2cc(=O)oc3cc(OCc4ccc(C(=O)O)cc4)ccc23)cc1 2106988 TVVKZMQXHWEDNX-UHFFFAOYSA-N 402.402 4.746 0 40 HJAB biogenic COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccccc4OC)coc3c2)cc1 2157957 JNIBWJUTKIKXTB-UHFFFAOYSA-N 418.401 4.822 0 40 HJAB biogenic Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1CCc1ccc(F)cc1 2618490 AQYDRTZQWMIAJW-UHFFFAOYSA-N 408.502 4.504 0 40 HJAB NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)Cc1ccc(Cl)c(Cl)c1 2730168 ZXGJEGPVGKFXMR-UHFFFAOYSA-N 419.333 4.926 0 40 HJAB CCOc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 3346345 DLFRMOWCDBXAKS-UHFFFAOYSA-N 419.506 4.960 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(COc3ccccc3Cl)o2)cc1 3364629 KBUWEIBZTRHVES-ZDUSSCGKSA-N 403.891 4.730 0 40 HJAB COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 4715801 SLFWKXJAVLHQBD-AUSIDOKSSA-N 418.449 4.626 0 40 HJAB CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)N(C)c2ccccc2)s1 4843433 KQCLAKVTTOLPSX-CQSZACIVSA-N 414.556 4.824 0 40 HJAB CC1(C)C[C@]2(CCCN(CCCN3CCC[C@]4(CCOC(C)(C)C4)C3)C2)CCO1 5008161 SWVWVYHFWXGIGF-PLQXJYEYSA-N 406.655 4.719 0 40 HJAB Cc1cccc(OCC(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c1 5136939 XZNFBXWDYQKRSC-UHFFFAOYSA-N 400.931 4.818 0 40 HJAB C[C@@H]1CCc2c(sc(NC(=O)CCSc3ccc(Cl)cc3)c2C(N)=O)C1 5191835 GNJMZEWQPVLNAT-LLVKDONJSA-N 408.976 4.746 0 40 HJAB O=c1/c(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2nc3ccccc3n12 5297442 WEYNSXOASCSANG-WOJGMQOQSA-N 412.392 4.736 0 40 HJAB CCOc1cc(/C=C/c2nc3cc(C)c(C)cc3s2)ccc1OCC(=O)N(C)C 6112031 XLRNAXNQGVYWNT-CSKARUKUSA-N 410.539 4.949 0 40 HJAB O=C(COc1ccc2ccccc2c1Br)NCc1ccccc1Cl 6218924 KENNQQVWSLOHGC-UHFFFAOYSA-N 404.691 4.951 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(-c3ccc(O)cc3)c2)CC1 6256261 INJUPKKGDADIGY-UHFFFAOYSA-N 406.913 4.983 0 40 HJAB C[C@H](Nc1cccc(-c2nc3ccccc3s2)c1)C(=O)Nc1ccc(C(N)=O)cc1 7279470 PUKDHXSRZIKYOT-AWEZNQCLSA-N 416.506 4.501 0 40 HJAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O 7882367 SKYWDSASKALIMO-GOSISDBHSA-N 416.477 4.788 0 40 HJAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@@H]1COc2ccc(Cl)cc2C1 7960655 GRMLXSFHIKLQHA-KRWDZBQOSA-N 422.916 4.515 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(-c2csc(-c3cccc(OC)c3)n2)cc1 8209610 IMYJLUWMVAWWQP-UHFFFAOYSA-N 402.541 4.516 0 40 HJAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(Cl)c4C)c3)C(=O)[C@@H]2C1 8473092 MHSZCTRBCHNFTR-QZTJIDSGSA-N 408.885 4.746 0 40 HJAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)o1 9198542 LDBRWPACWCLUNX-UHFFFAOYSA-N 423.416 4.707 0 40 HJAB COc1ccc(-c2nnc3sc(-c4cc(Cl)ccc4Cl)nn23)cc1OC 9583276 ONJKBTDDRQCITQ-UHFFFAOYSA-N 407.282 4.844 0 40 HJAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 10253632 AUWPGMZBDDQZIB-UHFFFAOYSA-N 419.506 4.664 0 40 HJAB COc1ccc(CNC(=O)CN(c2ccc(F)cc2)c2nc3ccccc3s2)cc1 12555690 UEZFMFVDGDRUES-UHFFFAOYSA-N 421.497 4.899 0 40 HJAB O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1ccc(-n2ccnc2)nc1 12756186 RQGNAOWZMQHOHA-UHFFFAOYSA-N 420.419 4.712 0 40 HJAB CC(C)[C@H](NC(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O)c1ccccc1 12973048 JFBQWGXTLSMDBD-QFIPXVFZSA-N 417.534 4.639 0 40 HJAB COc1ccc(CCC(=O)Nc2ccc(-c3coc(C)n3)cc2)cc1Br 12984569 LOZGFNRONXDWIG-UHFFFAOYSA-N 415.287 4.992 0 40 HJAB O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccc(CN2CCCC2)cc1 14095378 MAOGITUNJGXGGP-UHFFFAOYSA-N 406.501 4.931 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21 14135954 GAESVKTXPKWTNX-KDURUIRLSA-N 404.510 4.693 0 40 HJAB COc1cccc(Cn2nc(C)c(NS(=O)(=O)c3ccc4ccccc4c3)c2C)c1 14234394 AUBDZNAHTVTOSE-UHFFFAOYSA-N 421.522 4.511 0 40 HJAB Cc1cccc(OCc2nc3ccccc3n2C[C@H](O)COc2cc(C)cc(C)c2)c1 15860773 MDZJKSUMOZYJBX-NRFANRHFSA-N 416.521 4.980 0 40 HJAB COc1cc2c(cc1OC)[C@@H]1CCCC[C@H]1O[C@H]2c1cc(OC)c(OC)c(OC)c1 17704070 MIDMTBZLZSFHQP-HOSQHVHZSA-N 414.498 4.875 0 40 HJAB CNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C2CCCC2)CC1 19700427 LSZHGDFASXLKCA-UHFFFAOYSA-N 422.544 4.580 0 40 HJAB CCCN1CCc2c(sc3ncn4nc(-c5cc6ccccc6cc5O)nc4c23)C1 20390714 QYPWMXPBBPNWNY-UHFFFAOYSA-N 415.522 4.633 0 40 HJAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CC(=O)N(CCc2ccccc2)C1 26399343 BPSPDMODABHKED-ZDUSSCGKSA-N 411.716 4.677 0 40 HJAB O=C(N[C@@H](C(=O)OCc1ccc(C(F)(F)F)cc1)c1ccccc1)c1ccco1 27500568 IIGJGPBIENXCSG-GOSISDBHSA-N 403.356 4.513 0 40 HJAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1 31390769 UZWDHACZVKNQSI-KRWDZBQOSA-N 415.559 4.607 0 40 HJAB CCCCn1c(SCc2nc(-c3cccc(C)c3)no2)nc2ccccc2c1=O 32323591 KYZHARPZOVIZAQ-UHFFFAOYSA-N 406.511 4.847 0 40 HJAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)N3CCCCC3)no2)cc1C 32623537 XAFTURFWBJKANO-QHCPKHFHSA-N 403.526 4.915 0 40 HJAB CCCOC(=O)c1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 33540256 LVFPBERWTGEJKS-YVLHZVERSA-N 404.249 4.905 0 40 HJAB CCc1cc(C(=O)Nc2cc(C3CC3)no2)c2c(C3CC3)nn(-c3ccccc3)c2n1 36621631 DWTHPJQBMYTKPA-UHFFFAOYSA-N 413.481 4.978 0 40 HJAB CNc1snc(C)c1C(=O)OCc1csc(-c2cccc(Br)c2)n1 40012698 ZTKRINMSBQRCPL-UHFFFAOYSA-N 424.345 4.736 0 40 HJAB CN(C)C(=O)c1ccc(NC(=O)CCCCc2ccc(Br)cc2)cc1 40130078 HWVPBYLCAXJMPM-UHFFFAOYSA-N 403.320 4.502 0 40 HJAB Cc1nc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)sc1C 40141216 MITRUUGAJPEIEL-UHFFFAOYSA-N 420.288 4.620 0 40 HJAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1Cl 44939854 FDGMBGCELHECPF-UHFFFAOYSA-N 414.933 4.676 0 40 HJAB Cc1nn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)ccnc2c1-c1ccc(F)cc1 57729222 QZDWIBXBSYQWEB-KRWDZBQOSA-N 410.493 4.958 0 40 HJAB O=C(N[C@H]1CCCS(=O)(=O)c2ccccc21)c1ccccc1CCc1ccccc1 58159630 BMHUTEQVLSFHIR-QHCPKHFHSA-N 419.546 4.510 0 40 HJAB COc1cc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)cc(OC)c1OC 71289138 IEUSBGBFJMHBGC-SFHVURJKSA-N 403.504 4.616 0 40 HJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)c(Cl)c2)cc1 72328997 QRKNQEGUEOEKIO-UHFFFAOYSA-N 401.869 4.978 0 40 HJAB COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)c(OC)c1OC 85411788 HPCDSDQQEGQFHM-IBGZPJMESA-N 417.531 4.594 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cc(F)c(F)c(F)c2)S1 96117220 AKPHFWUMNXHGHS-MEDUHNTESA-N 411.449 4.610 0 40 HJAB C[C@@H](NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100562766 BDPXPHSMMKFMCJ-SYQHCUMBSA-N 418.419 4.563 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2o/c1=N\C(=O)C1CC1 102221383 IHHBMSZRBCUYTH-QOMWVZHYSA-N 400.356 4.541 0 40 HJAB CCc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(O)nc2nc(C)nn32)cc1 102542393 BIMBWASQKQHJLV-QGZVFWFLSA-N 403.486 4.551 0 40 HJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2ccccc2)no1 219343069 IGTORPSCJUSIMN-HXUWFJFHSA-N 401.466 4.706 0 40 HJAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(I)cc2)cc1 222873356 UAQFNGDQUIVJOC-QGZVFWFLSA-N 409.267 4.650 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 222994740 BODVGDWPSORRQE-INIZCTEOSA-N 421.368 4.870 0 40 HJAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc21 223116082 ZSMDPWLOCAGROL-UHFFFAOYSA-N 419.934 4.628 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 223207313 LAMCMNNWLLMBHU-HSZRJFAPSA-N 408.586 4.958 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)cc1C 223944932 WRZFONDJKCLVTK-IBGZPJMESA-N 422.550 4.904 0 40 HJAB O=C(Nc1ccc(F)c(F)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223976480 XDOUITZNRVKAKF-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C 224222703 TZUXUOVVMMDBPE-JOCHJYFZSA-N 424.585 4.615 0 40 HJAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)cc1 224389370 HGAUBEYVJWTARX-VXKWHMMOSA-N 415.497 4.584 0 40 HJAB CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 224943881 GCJBDVJGNFDLSL-UHFFFAOYSA-N 416.326 4.694 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 225207387 QWTVGBVUVJYBDK-CVEARBPZSA-N 421.368 4.868 0 40 HJAB O=C1CCCN1c1cccc(NC(=S)NCCSCc2ccc(Cl)cc2)c1 225304120 PERTWOPOYIPXAJ-UHFFFAOYSA-N 420.003 4.687 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 225526693 OJFZGOQRKPMUSG-QPPBQGQZSA-N 408.586 4.876 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 225642903 XBQOFWAWTBOVND-UTKZUKDTSA-N 416.562 4.640 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1Cl 225866729 VZUNMVUFOKUICE-UHFFFAOYSA-N 403.935 4.668 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)c(Br)c2)cc1 226356438 STVNSDBWFCLSHF-UHFFFAOYSA-N 400.228 4.968 0 40 HJAB O=C(/C=C/c1ccccc1)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C12CCCCC2 257302615 SDOKZHSLGWDMED-AWRZONTFSA-N 400.566 4.993 0 40 HJAB COc1ccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)cn1 257324318 WODAMBMSAMUHGS-IBGZPJMESA-N 411.889 4.690 0 40 HJAB CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)N(C)C1=S 409041614 WKTJDMSLDUVHAQ-SXGWCWSVSA-N 407.322 4.602 0 40 HJAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)s1 409178933 KUCJVJILLCPARW-OVCLIPMQSA-N 406.916 4.693 0 40 HJAB Cc1ccc(COc2ccccc2/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 409240661 QWZVHLUCYDVKMO-HZHRSRAPSA-N 412.489 4.975 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1cc(-c2ccco2)cs1 1775968681 KUIBXDBWIRXWST-MRXNPFEDSA-N 405.903 4.669 0 40 HJAB Cc1cccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccncc2)c1 664313 SSRHVMDDYVKAQP-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccccc3)n2)cc1 890605 PDSXWPXMIJQWGD-UHFFFAOYSA-N 419.428 4.902 0 40 HJAB CCOc1ccc2cc3c(N)c(C(=O)Nc4ccc(OC)c(OC)c4)sc3nc2c1 891609 PTXOMMUTESXBEM-UHFFFAOYSA-N 423.494 4.700 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1cccc(F)c1 1017080 HCERPOUMDXFXCE-SECBINFHSA-N 417.072 4.757 0 40 HJAB COc1cc(OC)cc(-c2cc3nc4c(c(N5C[C@@H](C)C[C@H](C)C5)n3n2)CCCC4)c1 1341769 HWQXWFXEKBJJTA-IRXDYDNUSA-N 420.557 4.775 0 40 HJAB COc1ccc(-[n+]2cc(-c3ccc(Br)cc3)n3c2SCCC3)cc1 2921932 NPLFOLRZILXLST-UHFFFAOYSA-N 402.337 4.699 0 40 HJAB CCOc1ccccc1Nc1nnc(SCc2ccc(C(=O)OC)cc2)s1 3251002 LHEGLDYWCPKQJS-UHFFFAOYSA-N 401.513 4.759 0 40 HJAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3nc4c(s3)CCCC4)c2Cl)cc1 3374736 RCZWAUYMKXJIHK-UHFFFAOYSA-N 400.935 4.789 0 40 HJAB COc1ccc([C@H](Br)[C@@H](Br)C(=O)OC2CCCCC2)cc1 4481692 CJEOMHXPSQNGGJ-LSDHHAIUSA-N 420.141 4.771 0 40 HJAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCc4ccccc4Cl)c(C)c3cc12 4743973 FFHIGVDOFFNAEI-UHFFFAOYSA-N 409.869 4.977 0 40 HJAB COc1cc(OC)cc(-c2cc3nc(C)c(C)c(NCCc4cccs4)n3n2)c1 4966848 OGUYEFCURFFISE-UHFFFAOYSA-N 408.527 4.746 0 40 HJAB COc1ccc([C@@H]2c3cc4c(cc3O[C@@]3(N5CCCC5)CCC[C@H]23)OCO4)c(OC)c1 5554762 NYLWYKVNXOZERE-WVQWTBLQSA-N 423.509 4.549 0 40 HJAB O=C(NC[C@@H]1CCCO1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 6112711 MZGIAKOIQVDMCU-AWEZNQCLSA-N 405.885 4.945 0 40 HJAB biogenic Cc1ccc(C)c(NC(=O)COC(=O)CCCSc2nc3ccccc3s2)c1 6510888 BUZRYUMCVWKXRQ-UHFFFAOYSA-N 414.552 4.967 0 40 HJAB CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1 6529888 PVEVCNJJRPZOBL-JOCHJYFZSA-N 408.523 4.644 0 40 HJAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccc(Cl)c(Cl)c1 6720260 YXULWGICZNDYSF-UHFFFAOYSA-N 404.282 4.544 0 40 HJAB CCc1ccc(OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 6790830 HQTSLXDMOSDWOY-HNNXBMFYSA-N 421.946 4.542 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSCc2ccc(Cl)cc2)c1 7454321 WZWPCJPFIRKPTP-IBGZPJMESA-N 405.947 4.954 0 40 HJAB COc1ccc([C@@H](CN[C@H](C)C(=O)Nc2ccccc2)c2c[nH]c3ccccc23)cc1 7546567 CWFUKMUVVOLMTD-WZONZLPQSA-N 413.521 4.925 0 40 HJAB CCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1c(C)cc(C)cc1C 7668434 ULPCJQPTAYQFMB-UHFFFAOYSA-N 419.934 4.526 0 40 HJAB Cc1ccc(SCCC(=O)OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1 7741664 DMPCPGWYDCQSGE-UHFFFAOYSA-N 412.511 4.607 0 40 HJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCOc1cc(C)ccc1C 8071750 BTCJBVLLYNCXCA-UHFFFAOYSA-N 411.420 4.755 0 40 HJAB C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NC[C@@H]1CCCO1 8133063 CNANDYCGCCJFMQ-LPHOPBHVSA-N 407.539 4.520 0 40 HJAB FC(F)(F)c1nc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c2ccccc2n1 8230006 VKADYIJNQVXSQG-INIZCTEOSA-N 401.388 4.761 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 9517697 PXCBWNGICXHGKR-UHFFFAOYSA-N 423.929 4.817 0 40 HJAB CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 10313911 PXBSRBYLDOCHEG-UHFFFAOYSA-N 422.550 4.930 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2C)cc1 10364301 XAMQOXADAXARTM-SFHVURJKSA-N 408.523 4.595 0 40 HJAB COc1ccc(C[C@H](C)NC(=O)C(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1 12401823 XXVFQCFNVOQYEE-KRWDZBQOSA-N 412.489 4.774 0 40 HJAB CC(=O)N(c1nc(/C=C/C(=O)N2c3ccccc3C[C@@H]2C)cs1)c1ccccc1F 12792444 DVQPQRUINWOGTD-RUMSDORHSA-N 421.497 4.958 0 40 HJAB O=C(CNC(=O)c1ccccc1Br)Nc1ccc2oc3ccccc3c2c1 13134449 JHJGJYFBNWABQH-UHFFFAOYSA-N 423.266 4.717 0 40 HJAB Cc1ccc(F)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 13141676 BDBBNEDWYRPTGD-UHFFFAOYSA-N 424.925 4.605 0 40 HJAB C[C@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C[C@@H](C)O1 13143237 HFDQYYVFVKIRDR-CALCHBBNSA-N 402.473 4.840 0 40 HJAB Cn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H]1COc2ccccc2O1 14254554 GSNIKEBHDQBRLF-INIZCTEOSA-N 408.310 4.927 0 40 HJAB CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1 16750158 YILBVTGJKZBEJZ-QFIPXVFZSA-N 405.494 4.716 0 40 HJAB Cc1ccccc1NC(=O)CSc1nc2c(-c3ccccc3)csc2c(=O)n1C 16844914 UYJYNGYLWOLGMC-UHFFFAOYSA-N 421.547 4.701 0 40 HJAB COc1c(Cl)cc(C)cc1C(=O)Nc1ccccc1I 20344501 WBXQXXIBZOQMMZ-UHFFFAOYSA-N 401.631 4.514 0 40 HJAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1 20739075 VZXLVFNONDQUGI-FQEVSTJZSA-N 418.324 4.731 0 40 HJAB CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 22853897 JXOOTDTXDUCOPV-IIYDPXPESA-N 404.967 4.780 0 40 HJAB COc1cc(OC)c(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1OC 24441806 JNUOAXDJLOEXNU-UHFFFAOYSA-N 409.404 4.536 0 40 HJAB CCCOc1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)c2ccccn2)cc1 27664328 MJXAGWDZUMHEGG-UHFFFAOYSA-N 406.482 4.735 0 40 HJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 28206851 AIDQMUIMCLGOJW-SFHVURJKSA-N 420.534 4.696 0 40 HJAB Cc1ccc([C@@H](NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)cc1 30859070 CPXYRYYGUNKBBM-SFHVURJKSA-N 422.369 4.887 0 40 HJAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1cccc(Br)c1 32071471 RMXDNIKOUIPWHI-UHFFFAOYSA-N 424.254 4.913 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)Nc2cc(C)cc(C)c2)cc1 33141794 IYKSTEOHCBYLHY-UHFFFAOYSA-N 414.552 4.751 0 40 HJAB Cc1cccc(-c2noc(-c3cn(C)c4cc(N5CCCCC5)c(F)cc4c3=O)n2)c1 33255925 STZDWCCUFQWYBC-UHFFFAOYSA-N 418.472 4.693 0 40 HJAB COc1c(Cl)cc(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)cc1Cl 34689921 SGNFHTGGWMLZMP-UHFFFAOYSA-N 421.305 4.988 0 40 HJAB CC1(C)C[C@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCCCC3)c2ccccc2O1 35316982 AHKFVPYZPUCBPW-INIZCTEOSA-N 421.463 4.589 0 40 HJAB COc1ccccc1-c1cnn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(F)c(Cl)c1 35684787 RZXMRITXFANUCY-MRXNPFEDSA-N 414.824 4.523 0 40 HJAB CCN(Cc1cccc(NC(=O)CCOc2ccc(C)cc2C)c1)C(=O)C(F)(F)F 36759766 INSYFKLYGJVLIH-UHFFFAOYSA-N 422.447 4.622 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1OCC 39763682 DTLWROKSKAOXTQ-HXUWFJFHSA-N 424.585 4.882 0 40 HJAB CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(C)c(C)c2)C1 44803577 GQPMOODAIHKAFT-GOSISDBHSA-N 404.514 4.500 0 40 HJAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)cc1OCC 46619085 RUNKPULGIZHMAG-MRXNPFEDSA-N 401.503 4.772 0 40 HJAB O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC[C@@H]1c1cccs1 46754006 HUYHNHCJLKSLLV-GOEBONIOSA-N 409.477 4.742 0 40 HJAB COc1cc(Br)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 55168784 ORUZIZBNCZEGMY-UHFFFAOYSA-N 403.273 4.529 0 40 HJAB O=C(Nc1cccc(-c2cnco2)c1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 56096528 ISXPYCJMBYXJFA-OAHLLOKOSA-N 416.264 4.640 0 40 HJAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3ccsc3c2=O)c(C)c1 57488606 RDVIXTWWXONSLJ-UHFFFAOYSA-N 421.547 4.795 0 40 HJAB CCN(CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1)c1cccc(CO)c1 58379247 SFXGXHXLJVLJNV-UHFFFAOYSA-N 409.555 4.693 0 40 HJAB O=C(O)[C@@H]1CC(=O)N(c2ccc3nc(-c4cccc5c(Cl)cccc45)oc3c2)C1 70461308 XNMLCIGNJHHXJP-GFCCVEGCSA-N 406.825 4.739 0 40 HJAB Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1nnc([C@@H]2CCCO2)s1 71282884 DQVRVCWGATYNHI-LBPRGKRZSA-N 406.920 4.727 0 40 HJAB Cc1cccc(Cc2cnc(NC(=O)N[C@@H](c3nnc4ccccn34)C(C)C)s2)c1 72230643 RNUGOIGZRBTRLO-LJQANCHMSA-N 420.542 4.604 0 40 HJAB O=C(CCc1nc2ccccc2[nH]1)NC1(c2noc(C3CCCC3)n2)CCCCCC1 89866482 OHDAINHGZQAJHC-UHFFFAOYSA-N 421.545 4.902 0 40 HJAB COc1ccc(SCC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 90608296 VHTDYUPDXQNCQR-UHFFFAOYSA-N 418.005 4.603 0 40 HJAB CC(C)n1cnc2c(-c3cccnc3)nc(C3CCN(Cc4nccs4)CC3)cc21 96100009 CKFULBXRYKEAIT-UHFFFAOYSA-N 418.570 4.910 0 40 HJAB O=C1S/C(=C/c2cccs2)C(=O)N1Cc1noc(-c2ccc(Cl)cc2)n1 97003071 VXBUWIBWNQZOIN-MDWZMJQESA-N 403.872 4.688 0 40 HJAB CCOc1cc(/C=C2/N=C(c3cccc(OC(F)F)c3)OC2=O)cc(Cl)c1OC 97987487 YUWOKRICQSNQTB-OVCLIPMQSA-N 423.799 4.693 0 40 HJAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1CCc1ccccc1 102689360 NMCHFINFRORNIA-XDZVQPMWSA-N 407.513 4.968 0 40 HJAB COc1ccc(/C=C/C(O)=C2/C(=O)N(C)[C@@]34CCC[C@@H]3[C@H]2c2ccccc2O4)cc1 102730758 WEFNKOCLNNKQFW-VRUFGRITSA-N 403.478 4.665 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1 136693859 LNJWLEAQFHWGMC-BKTGTZMESA-N 410.901 4.826 0 40 HJAB Cc1c(NC(=O)COC(=O)c2cccc(Cl)c2)ccc(Br)c1Cl 138735921 CHQNOHDSTPKDSY-UHFFFAOYSA-N 417.086 4.860 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 222471385 KQWQSZOZBILHDN-HYBUGGRVSA-N 424.585 4.658 0 40 HJAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 223866746 CIRAOLPLHZKJOG-DHIUTWEWSA-N 412.518 4.755 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 224110649 DPEVCSSOXJPDRU-INIZCTEOSA-N 421.368 4.725 0 40 HJAB CCn1c(=O)sc2cc(NC(=O)c3ccc(CN4CCCCCC4)cc3)ccc21 225113676 FOZOSIXAWASYND-UHFFFAOYSA-N 409.555 4.711 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 225213500 AUGNRKFUNYXKHR-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 225491419 VQEQSYFSXSQMCB-UTKZUKDTSA-N 400.950 4.605 0 40 HJAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(OC)c(OC)c2)cc1OCC 225749719 TVNOIRXJOUTVQO-CQSZACIVSA-N 404.532 4.549 0 40 HJAB COc1c(Br)cc(Br)cc1-c1nc2cc(N)cc(C)c2o1 226237607 TWYYLZZZMYHIOY-UHFFFAOYSA-N 412.081 4.919 0 40 HJAB Fc1ccc(Cc2cccc([C@@H]3CN(Cc4ccnc5ccccc45)CCO3)n2)cc1 257261128 LFVBEOCDJHYGJR-SANMLTNESA-N 413.496 4.933 0 40 HJAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@H](Cc2cccc3ncccc23)C1 257287844 PRSMSDTZXCABQT-LJQANCHMSA-N 424.504 4.912 0 40 HJAB CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H]1c3c(O)cccc3OC(C)(C)[C@@H]1C2 257294872 QWAULAGJLJUGJX-DNVCBOLYSA-N 403.519 4.658 0 40 HJAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 408559738 YESRDPKIYYTGMN-UHFFFAOYSA-N 422.812 4.728 0 40 HJAB O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1ccc2c(c1)OCCO2 408713208 ODGCWSNVHSQMPE-UHFFFAOYSA-N 422.506 4.551 0 40 HJAB Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1-c1cccnc1 409060259 YXYQQEKOCLWFMW-STZFKDTASA-N 419.506 4.604 0 40 HJAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409217789 WPKHCJOYCKMTLJ-GZTJUZNOSA-N 419.886 4.980 0 40 HJAB O=C(O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2cccs2)cc1 626686 MROCJNRJYNHDNK-HXUWFJFHSA-N 401.447 4.586 0 40 HJAB COc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 986853 HMBDRDWKYQYLDZ-BBITVKMKSA-N 415.876 4.745 0 40 HJAB Cc1cccc(C)c1NC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 1337195 KEBKHRPQBZFDSP-UHFFFAOYSA-N 410.518 4.920 0 40 HJAB CCc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)Nc3ccc(C)cc3)cc2c1 1360959 UOXBSSKUTBLHIT-QFIPXVFZSA-N 419.525 4.612 0 40 HJAB CCCc1nc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c2c(C)c(C)sc2n1 1377176 HAJFTROJIOVLFG-UHFFFAOYSA-N 408.571 4.531 0 40 HJAB CCCSc1nnc2c(n1)O[C@@H](c1ccc(OCC)c(OC)c1)Nc1ccccc1-2 2083747 KWRRKRWMGNTGMX-FQEVSTJZSA-N 424.526 4.951 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc(C)c1-c1ccccc1 2761554 SFCDLQGMQIBEKE-CVEARBPZSA-N 415.511 4.730 0 40 HJAB CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CCC)CC3)cc2)cc1 4120449 NZAHPCTYJASCGF-UHFFFAOYSA-N 423.557 4.567 0 40 HJAB COc1ccc(C)cc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1cccc(C)c1 5223666 CQUCKUYTRROPFA-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB COc1ccc([C@@H]2c3cc4c(cc3O[C@H](NNc3ccccc3)[C@@H]2C)OCO4)cc1 5956690 WFBVRMMXMLCJRR-PQRODAJWSA-N 404.466 4.527 0 40 HJAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)n2)n1 6051990 YUIKPLSSDSVQKV-SCUMNGBJSA-N 412.965 4.872 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 6153033 FSHNPGJKVQQHEK-UHFFFAOYSA-N 410.823 4.850 0 40 HJAB CN(Cc1ccco1)C(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 6365056 WGQNZMPRHQJQBJ-UHFFFAOYSA-N 413.499 4.841 0 40 HJAB Clc1ccc(C2=Nc3ccccc3C(c3ccc(N4CCOCC4)cc3)=NN2)cc1 6474937 GYRDDWPESDRWDB-UHFFFAOYSA-N 416.912 4.611 0 40 HJAB Cc1c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)oc2ccc(Br)cc12 6746156 GAVXDGMLAJKKHD-INIZCTEOSA-N 417.303 4.664 0 40 HJAB Cc1nc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1I 6960143 USWGUKXFPVGVDX-IZZDOVSWSA-N 406.267 4.770 0 40 HJAB O=c1c2c(-c3ccco3)csc2nc(SC[C@@H]2CCCO2)n1-c1ccccc1 7085249 VOQDJROGWINASE-HNNXBMFYSA-N 410.520 4.978 0 40 HJAB O=C(CCCn1c(=O)oc2ccccc21)N1CCCC[C@@H]1c1nc2ccccc2s1 9449358 JPNXNJGVWJOENN-GOSISDBHSA-N 421.522 4.738 0 40 HJAB Cc1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)c1 9724462 QLBKQPDNBKSNPQ-GFCCVEGCSA-N 417.332 4.662 0 40 HJAB CSc1cccc(NC(=O)C(=O)NCCC(c2ccccc2)c2ccccc2)c1 10326399 HZEOLMFPSFAFTB-UHFFFAOYSA-N 404.535 4.685 0 40 HJAB C[C@H](OC(=O)c1cccc(OC(F)F)c1)C(=O)Nc1cccc(Cl)c1Cl 11461492 NTGZUNYOFAXPMM-VIFPVBQESA-N 404.196 4.779 0 40 HJAB CCc1ccc2nc(N(Cc3ccccn3)C(=O)c3cc(C)nn3CC)sc2c1 11696045 QDYJAUPNQVROAR-UHFFFAOYSA-N 405.527 4.626 0 40 HJAB O=C1N(C2CCCC2)C(c2ccccc2)=N[C@@]1(Nc1cc(Cl)ccn1)C(F)(F)F 12376083 MZFVDSOMUMCGPO-LJQANCHMSA-N 422.838 4.637 0 40 HJAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3cccc(C(F)(F)F)c3)oc2c1 12524306 SOCPLENLCOJFFD-QOMWVZHYSA-N 403.404 4.629 0 40 HJAB COc1cc(C(C)=O)ccc1OCc1csc(N(C(C)=O)c2ccccc2F)n1 12973223 HGGMTTKIMGXNAZ-UHFFFAOYSA-N 414.458 4.757 0 40 HJAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 13871294 NPLZRGNNGSKQOO-KRWDZBQOSA-N 424.570 4.865 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 14155153 BDMQRNNIEINWNP-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 16591634 XVCZYIFVWVQIPK-XLIONFOSSA-N 406.448 4.958 0 40 HJAB Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1cccc(Br)c1 16992103 AGZKBHARDPJPQO-UHFFFAOYSA-N 419.319 4.993 0 40 HJAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4C)ccc3O)oc2c1 17091089 FVOXAXNUYSZRNW-UHFFFAOYSA-N 417.490 4.944 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(F)c2)cc1C 17206603 AWQZTAYMNQNBKN-UHFFFAOYSA-N 422.485 4.930 0 40 HJAB CCN(CC)c1ccc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)c(C)c1 20608642 KVQSKEUMZAVWQW-UHFFFAOYSA-N 411.477 4.791 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)CNC[C@@H](c3ccccc3)N(C)C)ccc21 22037606 IQZIMLYWMLWWHT-VWLOTQADSA-N 414.553 4.645 0 40 HJAB CN(C)[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1cccs1 22989316 RMDGCGFRLHRQOF-GOSISDBHSA-N 422.579 4.695 0 40 HJAB Cc1ccc(-c2c(C)sc3nc(CN4CCc5ccccc5C4)[nH]c(=O)c23)cc1 23748606 UJQPTLLJARLUIE-UHFFFAOYSA-N 401.535 4.827 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(C)cc3)on2)sc(C(C)=O)c1C 27662615 LYSWCNCCYGUGGI-UHFFFAOYSA-N 412.467 4.652 0 40 HJAB CCCCOc1cccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)c1 27794522 XBZIGYQTLFGTPC-UHFFFAOYSA-N 413.499 4.654 0 40 HJAB COc1ccccc1OCc1ccc(C(=O)NCc2ccccc2C(F)(F)F)o1 27980263 HDIKCZJTYPKBPA-UHFFFAOYSA-N 405.372 4.816 0 40 HJAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(C(C)C)cc3)n2)cc1OC 33000106 HJXIPCNTQFHTLI-UHFFFAOYSA-N 409.486 4.839 0 40 HJAB Fc1ccc(N2CCN(c3nccn4nc(-c5ccc(Cl)cc5)cc34)CC2)cc1 33266289 OMHXOTNJHOCVPW-UHFFFAOYSA-N 407.880 4.515 0 40 HJAB Cc1cc(C(=O)Nc2cccc(Cn3cc(Cl)cn3)c2)c2c(C)nn(C(C)C)c2n1 36612503 XAENCOJASZJTJR-UHFFFAOYSA-N 422.920 4.780 0 40 HJAB Cc1noc(C)c1CC(=O)Nc1nnc(C(c2ccccc2)c2ccccc2)s1 36752431 JTOYTNCNKLMVAG-UHFFFAOYSA-N 404.495 4.504 0 40 HJAB CC(=O)N[C@H](CC(=O)O[C@H](C)c1nc2ccccc2n1C(F)F)c1ccc(C)cc1 40033798 KDDJFYTUKGKZGQ-RDTXWAMCSA-N 415.440 4.612 0 40 HJAB COc1ccc(Oc2ccc(CNC(=O)c3cc4cc(C)ccc4nc3C)cn2)cc1 48300257 XMPZTGASNQLZOQ-UHFFFAOYSA-N 413.477 4.978 0 40 HJAB CN(c1ccsc1C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 48986852 JYWXUEGIPQTHRN-UHFFFAOYSA-N 424.906 4.618 0 40 HJAB Cc1cc(F)ccc1NC(=O)c1c(O)c2sccc2n(Cc2ccccc2)c1=O 49409602 PBFXYYLXZHDXCT-UHFFFAOYSA-N 408.454 4.517 0 40 HJAB Cc1[nH]c2ccccc2c1[C@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1 54260524 KVYAREDTDYLNBY-VWLOTQADSA-N 400.501 4.922 0 40 HJAB CCCN1COc2ccc3c(=O)c(Oc4ccccc4Br)coc3c2C1 57176037 ZLDGGHJSZLQNPP-UHFFFAOYSA-N 416.271 4.910 0 40 HJAB Cc1cc(NC(=O)C2(OC(=O)C(c3ccccc3)c3ccccc3)CCCC2)no1 65203165 AUFJBVDZTQCYJC-UHFFFAOYSA-N 404.466 4.610 0 40 HJAB Clc1ccc(OCCN(CCOc2ccc(Cl)cc2)CCn2cccn2)cc1 70037004 IGRCUHHHFOPFBN-UHFFFAOYSA-N 420.340 4.650 0 40 HJAB C[C@H]1CN(c2ccccc2NC(=O)CSc2nc3ccccc3s2)C[C@@H](C)O1 70040162 YGLNTWROKBJIFJ-GASCZTMLSA-N 413.568 4.641 0 40 HJAB O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 72341439 RRXVUHBFJQNFRY-FPOVZHCZSA-N 409.530 4.666 0 40 HJAB COc1ccc(CCC(=O)N2CCC[C@H](c3cncc(-c4cccc(C)c4)n3)C2)cc1 72359559 XKCSCJBYMPZQHO-QFIPXVFZSA-N 415.537 4.799 0 40 HJAB CCn1cc(CN2CCC[C@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)c(C)n1 72372461 XWVQNJFULJLGNT-VWLOTQADSA-N 404.558 4.851 0 40 HJAB Nc1c(Cl)cc(NC(=O)Cn2c(SC(F)F)nc3ccccc32)cc1Cl 84600212 RIJCGWQQXVBNIX-UHFFFAOYSA-N 417.268 4.879 0 40 HJAB O=C(N[C@@H](CCc1ccccc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21 95749082 SZSPNGQMLQPZAK-QHCPKHFHSA-N 419.452 4.750 0 40 HJAB COc1cccc(-c2ccc3nc(C4CCN(Cc5ccc(F)cc5)CC4)nn3c2)c1 96038225 IFEROYYQUPCULV-UHFFFAOYSA-N 416.500 4.924 0 40 HJAB Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2ON1c1ccccc1 102737807 GYMNKLBWYBVUMP-BHIFYINESA-N 418.880 4.700 0 40 HJAB COc1cc(OC)cc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)c1 102833968 VLUJEIMXDCWPNN-SZNDQCEHSA-N 418.453 4.716 0 40 HJAB CC(C)n1[nH]cc/c1=N\C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 105121521 UFUUQAQYTCLDRM-SGWCAAJKSA-N 408.452 4.884 0 40 HJAB COc1ccc2ccc(OC)c([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2c1 222568855 XZQKKJAVHIIOCD-RWGOJESNSA-N 405.523 4.841 0 40 HJAB Cc1cc(C)cc(N(CCCC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c1 222570253 YGWVTXWNAZHTNF-UHFFFAOYSA-N 402.560 4.612 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 222822487 XNGNWKNTKDBGBO-HNNXBMFYSA-N 421.368 4.868 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 223092434 ZEKWOZZFAVFGQW-QGZVFWFLSA-N 418.940 4.664 0 40 HJAB Cc1cccc(CN(C(=O)Cc2c(F)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 224174430 IFBRXCXTEHTVFM-KRWDZBQOSA-N 418.940 4.520 0 40 HJAB CCOC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc2ccccc2c1 225055447 UXGSUZBQIQRLMR-UHFFFAOYSA-N 417.914 4.560 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 225129820 GLATZSHITFVKOS-SFTDATJTSA-N 424.585 4.829 0 40 HJAB Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC2CCCC2)cc1 225375098 YTUJCKPJGJRXDK-XZOQPEGZSA-N 418.566 4.919 0 40 HJAB CCCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OC)c2)CCC[C@@H](C)C1 225853588 XQDUDQGJJARYDS-SEPYTNNBSA-N 405.535 4.965 0 40 HJAB C[C@@H](NC(=S)Nc1nc(N2CCCCCC2)cc(C(F)(F)F)n1)c1ccccc1 225963705 BQXLAZNRCIMZHE-CQSZACIVSA-N 423.508 4.923 0 40 HJAB O=C(O)c1ccc(/N=C2/S[C@@H](Cc3ccccc3)C(=O)N2[C@H]2C[C@H]3CC[C@H]2C3)cc1 245227531 IQRZUYROAKIOPI-OWHLOFECSA-N 420.534 4.748 0 40 HJAB Cc1ccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4cnc(C)cn4)C3)c2)cc1 257257116 KODICGCZQMNFKE-LJQANCHMSA-N 401.514 4.560 0 40 HJAB CCn1cc(CN2CC[C@@H](c3cc(Nc4nc(C)c(C)s4)cc(C)n3)C2)c(C)n1 257258780 KVMNTDDNIHGAED-GOSISDBHSA-N 410.591 4.721 0 40 HJAB CC(C)(C(=O)N1CC[C@](C)(O)[C@@H](Oc2cccc(Cl)c2)C1)c1ccc(Cl)cc1 257271805 MZWDCQYKIVRKFC-UGKGYDQZSA-N 422.352 4.702 0 40 HJAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 257280823 OMOLHAXLFCXFEX-IBGZPJMESA-N 422.500 4.968 0 40 HJAB CCOc1c(I)cc(CNc2ccccc2CC)cc1OC 409115902 LPKSZBYIHDZNRI-UHFFFAOYSA-N 411.283 4.873 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1O 409411742 KTXOHDADKIAFJD-UHFFFAOYSA-N 423.325 4.708 0 40 HJAB Cc1ccc(C[C@@H](C(=O)O)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1 1542984395 JEFRVZCXEQFQKQ-DEOSSOPVSA-N 415.489 4.872 0 40 HJAB Cc1c(NC(=O)NCCCCc2ccc(Cl)s2)nnn1Cc1ccccc1F 1671304777 IDKRSDCNYMZTAU-UHFFFAOYSA-N 421.929 4.633 0 40 HJAB COC(=O)CC[C@@H](C)[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[C@H]3O 2061000371 GRQROVWZGGDYSW-LBZRAUDSSA-N 406.607 4.566 0 40 HJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2N2CCCCC2)cc1 635355 YSRSNMFEOJXNBC-UHFFFAOYSA-N 400.475 4.612 0 40 HJAB COc1ccccc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 786215 IVEJDOUWXCNOKO-UHFFFAOYSA-N 421.478 4.541 0 40 HJAB COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3cccs3)cc2c1 1366780 PTCPEMRWXLWOKS-UHFFFAOYSA-N 410.520 4.502 0 40 HJAB CC(=O)c1cccc(NC(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)c1 2627195 IVXHATJKSPLIDL-LDADJPATSA-N 411.504 4.735 0 40 HJAB COc1ccc(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1OC 2631091 ZDOJMHLUMMTNDW-UHFFFAOYSA-N 418.209 4.666 0 40 HJAB COc1ccccc1-n1cnnc1SCC(=O)c1ccc(-c2ccccc2)cc1 2659166 RPYLXKHRRVKLIX-UHFFFAOYSA-N 401.491 4.918 0 40 HJAB COc1ccc(Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3ccccc32)cc1 2691902 SLWYQGBBHQMJSB-UHFFFAOYSA-N 403.865 4.943 0 40 HJAB CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 2742278 NUCIYOSLQXSIIG-KRWDZBQOSA-N 401.528 4.988 0 40 HJAB O=S(=O)(Nc1ccccc1Br)c1ccc(Cl)c(C(F)(F)F)c1 3324487 NXRPXLUBYHVYGK-UHFFFAOYSA-N 414.630 4.922 0 40 HJAB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(C(C)C)cc1 4734769 LMYJESHFOMMOJE-JOCHJYFZSA-N 405.498 4.638 0 40 HJAB CCCn1c(SCC(=O)Nc2ccccc2C)nc2c(oc3ccccc32)c1=O 4852692 NYNUTVRSDKZDTP-UHFFFAOYSA-N 407.495 4.592 0 40 HJAB CC(C)(C)C(=O)N(CCN1C(=O)c2ccccc2C1=O)c1ccc(C(C)(C)C)cc1 5284321 QAICRRMZGZSXLN-UHFFFAOYSA-N 406.526 4.659 0 40 HJAB COc1ccc(C2=NN(C(=O)COc3ccccc3Cl)[C@@H](c3ccco3)C2)cc1 5862261 KLNJTUYTGDBCKS-LJQANCHMSA-N 410.857 4.698 0 40 HJAB Cc1ccc(-c2nn([C@@H](C)C(=O)Nc3ccc(Cl)cc3)c(=O)c3c2CCCC3)cc1 6767341 CPIBLWUIFLLVQX-INIZCTEOSA-N 421.928 4.951 0 40 HJAB CCc1ccc(Nc2nnc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)s2)cc1 6908053 ONJASTHWIZRNKI-LBPRGKRZSA-N 409.540 4.934 0 40 HJAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1ccccc1N1CCOCC1 7717900 HEOHTKNMRYSYFR-UHFFFAOYSA-N 411.505 4.784 0 40 HJAB COc1ccc(CCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1OC 7725456 RPNVIDPNQFWIHY-UHFFFAOYSA-N 401.466 4.818 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCC1 8722801 OVEGQOANLBMOFM-CYBMUJFWSA-N 407.297 4.635 0 40 HJAB CC1(C)COc2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2NC1=O 8959880 WGCVLAFHWAZFLU-UHFFFAOYSA-N 400.478 4.892 0 40 HJAB COc1cccc(NC(=O)c2cnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C)c1 10385217 SMSKBCKHKFJTCZ-UHFFFAOYSA-N 406.873 4.927 0 40 HJAB CCc1ccc(-c2nc(C)c(C(=O)N(C)CC(=O)Nc3ccc(C)cc3)s2)cc1 12854118 OLTFACYOWQYUGQ-UHFFFAOYSA-N 407.539 4.700 0 40 HJAB COc1ccc2cc([C@H](C)C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)ccc2c1 12978000 VEZHRUWBVUOYGM-IBGZPJMESA-N 418.537 4.974 0 40 HJAB CC(C)c1ccccc1NC(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1 13038951 ODZGZWNXTHTOJL-UHFFFAOYSA-N 405.372 4.953 0 40 HJAB CCCCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 13578943 NODBODXTISENMI-SFHVURJKSA-N 416.930 4.893 0 40 HJAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 13684530 PDTYJVZVBBLSKT-UHFFFAOYSA-N 402.494 4.559 0 40 HJAB CC[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1ccccc1)S(C)(=O)=O 13711626 OSTUQQWBNHMYCD-QFIPXVFZSA-N 408.523 4.537 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 14007040 VFHZSULAYXSVDD-INIZCTEOSA-N 408.885 4.676 0 40 HJAB CCN(CC)C(=O)C(=O)c1cn(Cc2ccc(Br)cc2)c2ccccc12 14136107 QFAQXCBCNJTBMQ-UHFFFAOYSA-N 413.315 4.503 0 40 HJAB Cc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(Cl)cc2)o1 15412864 IDRAQBGDOSEBIL-JOCHJYFZSA-N 408.885 4.979 0 40 HJAB CC1CCN(C(=O)c2cc([C@H]3CCCN(Cc4cccc(Cl)c4)C3)no2)CC1 19496749 LZFUJYCOVZAANP-SFHVURJKSA-N 401.938 4.580 0 40 HJAB CC[C@H](C(=O)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1)c1ccccc1 21688442 CGEFMPLLNOYCKG-NRFANRHFSA-N 405.567 4.648 0 40 HJAB Cc1ccc2ncc(C(=O)Nc3nc(-c4ccc(C(C)(C)C)cc4)cs3)c(=O)n2c1 23082826 UGTOMOWVEAXEKB-UHFFFAOYSA-N 418.522 4.676 0 40 HJAB Cc1csc(CCNC(=O)[C@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)n1 24763373 POMUVSXHUJOWAO-MRXNPFEDSA-N 419.900 4.919 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)OCc2csc(-c3ccco3)n2)cc1 25435172 MWBWJRQXDVZQGZ-UHFFFAOYSA-N 410.451 4.944 0 40 HJAB O=C(CCCc1nc2ccccc2s1)N1CCC(c2nc3ccccc3[nH]2)CC1 25840258 NOONKTJJUJLCSF-UHFFFAOYSA-N 404.539 4.902 0 40 HJAB O=C(Nc1ccccc1Oc1ccccc1Cl)[C@H]1CCCN(c2cnccn2)C1 32803745 VTUHJNXMJSGWAL-INIZCTEOSA-N 408.889 4.777 0 40 HJAB Cc1cccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)c1C 38486536 OUAQCWFUIFTXKN-UHFFFAOYSA-N 407.470 4.520 0 40 HJAB O=C(Oc1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)c2ccsc2)CC1 40062627 FCUKELKIUMWHKD-UHFFFAOYSA-N 421.518 4.785 0 40 HJAB CCN(CC)CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 40104530 YIUNSWKPONRDPX-JOCHJYFZSA-N 411.546 4.785 0 40 HJAB Cc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/C=C/c1ccccc1[N+](=O)[O-] 46192721 KDJGUXYEVRKPDF-QVQOGBIZSA-N 416.462 4.889 0 40 HJAB Cc1oc(-c2ccccc2)nc1CCNC(=O)Nc1ccc(F)cc1Br 58333232 UYGTVWMPWKUTRJ-UHFFFAOYSA-N 418.266 4.916 0 40 HJAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C)c2)C12CCCCC2 72401216 JSQSLHMQBJWKBM-JOCHJYFZSA-N 406.526 4.522 0 40 HJAB CCCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1OCCC 72414307 MYPPKTFCEFDQDH-UHFFFAOYSA-N 400.500 4.613 0 40 HJAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccc3c(c2)OCCO3)C[C@@H](c2cccs2)C1 102750988 OULKSYCWRVBARL-CWTRNNRKSA-N 422.466 4.531 0 40 HJAB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 138791110 OVWLZTIBPFPEII-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 211972092 FAANRHSZJSSUEL-LICLKQGHSA-N 400.887 4.632 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 223026293 PWWSGIGJIFXLCH-GOSISDBHSA-N 400.950 4.525 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1Cc1ccncc1 223491540 AIAPOKHUOGAODC-YADHBBJMSA-N 403.555 4.566 0 40 HJAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1C 223972044 GKCAZJYADUUSPW-HSZRJFAPSA-N 422.550 4.985 0 40 HJAB Cc1ccc(OCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1Cl 224181082 GNMKGWOGKPEPTB-SFHVURJKSA-N 421.368 4.709 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OC(C)C)cc2)cc1 224563620 GBTURACZAKDSRN-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 224587265 VWPIRZPBDYSVEZ-DEOSSOPVSA-N 424.585 4.695 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 224653625 KPVQAEYCFHNXLN-XMMPIXPASA-N 424.585 4.570 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 225245102 IFJKAAJBXMZYIC-JOCHJYFZSA-N 414.977 4.833 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1CCCc2ccccc21 225470164 NFJJFNFLDLPHQB-LEYFIJQKSA-N 400.478 4.553 0 40 HJAB Nc1nnc(/C=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)o1 226338738 YCQNOVNMFFHHQZ-XBXARRHUSA-N 406.667 4.817 0 40 HJAB CCCO[C@](C)(C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1)C1CC1 260814733 MYVNTALTXNSVKF-DVECYGJZSA-N 402.579 4.864 0 40 HJAB COc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(C)ccc3C)n2)c1 408698374 NACLTEUGEZXCNK-UHFFFAOYSA-N 416.456 4.951 0 40 HJAB CCOc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 408844943 PTSOSSSJDFVFIQ-QGOAFFKASA-N 417.417 4.550 0 40 HJAB COc1cccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1OC(C)C 409017244 FKFXNXIZGIUCBW-WQRHYEAKSA-N 401.459 4.858 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 409027130 ALQDBOWLQCENJM-HSZRJFAPSA-N 424.472 4.991 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(C)c2)c1 409094810 GITHEIFXMYYSNA-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3Cl)[C@](O)(C(F)(F)F)[C@H]2C1 409100202 ULEYWXZFJATTEP-SUFBMKPHSA-N 402.844 4.865 0 40 HJAB CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(I)c1O 409121489 YAGJHVLZUXUMOO-UHFFFAOYSA-N 417.674 4.969 0 40 HJAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCCCC2)cc1C 409215667 DFDCQMOAGBEJIW-UHFFFAOYSA-N 420.582 4.580 0 40 HJAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]21)c1ccccc1 409369840 ZTBFHHZKEXZHAD-RFZJPIJTSA-N 420.306 4.844 0 40 HJAB Cn1cc(-c2ccc(CCNC(=O)C(c3ccccc3)c3ccccc3)s2)cn1 1889302856 NQJGJYZOIFYOIK-UHFFFAOYSA-N 401.535 4.639 0 40 HJAB Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1 682394 KAKHZVZFKUXOBF-LLVKDONJSA-N 413.109 4.926 0 40 HJAB Cc1cccc([C@@H]2C[C@@]3(CC(C)(C)NC(=S)N3)Oc3cc(O)c(Cl)cc32)c1 881884 NBAYWFCTEMAGSW-BTYIYWSLSA-N 402.947 4.611 0 40 HJAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 2246684 JGZJKYRMJYBJCL-IBGZPJMESA-N 418.474 4.625 0 40 HJAB CCCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1Cc1ccccc1 2265882 SSGGPJCTNBITHO-UHFFFAOYSA-N 419.550 4.858 0 40 HJAB CCCCn1c(O)c(C(=O)Nc2ccccc2Br)c(=O)c2ccccc21 2272726 YUYAPBMYEGQKIL-UHFFFAOYSA-N 415.287 4.522 0 40 HJAB c1ccc(CC2CCN(c3nc4sc5c(c4c4ncnn34)CCCC5)CC2)cc1 2451031 UDAZGJBUXMSKQS-UHFFFAOYSA-N 403.555 4.677 0 40 HJAB Cc1ccccc1CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2 2970038 GBHLWBKLCUQRQM-UHFFFAOYSA-N 416.502 4.774 0 40 HJAB FC(F)(F)c1ccc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)nc1 3408086 GOCVFHRHIKSGSC-GFCCVEGCSA-N 412.462 4.751 0 40 HJAB COc1ccc2sc(N(Cc3cccnc3)C(=O)CCc3ccccc3)nc2c1 4273276 WJEPFJOPONECAC-UHFFFAOYSA-N 403.507 4.866 0 40 HJAB O=C(NC[C@H](c1ccc(Cl)cc1)N1CCC(c2ccccc2)=N1)c1ccccc1 4770885 QJSNGWARUFIDPR-HSZRJFAPSA-N 403.913 4.921 0 40 HJAB CCC(C)(C)NC(=O)[C@@H](c1cccc(C)c1)N(C(=O)c1csnn1)c1ccccc1 4964616 YRTZCBOLZFGDTJ-HXUWFJFHSA-N 422.554 4.539 0 40 HJAB CCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nc2sc(C)c(C)c2c1=O 5571787 BDBJTNPTPGZNOI-UHFFFAOYSA-N 415.584 4.823 0 40 HJAB C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)CCN1C(=O)Nc1cccc(Cl)c1 5673046 ADPODJWQAYWXIS-CYBMUJFWSA-N 407.301 4.764 0 40 HJAB O=C(CCC(=O)c1cccs1)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 5787248 ZFYDUIGWBFQOIY-OAQYLSRUSA-N 411.454 4.773 0 40 HJAB COc1cc(NC(=S)NC(=O)c2cccc3ccccc23)ccc1NC(=O)C(C)C 5944608 OKYGUNUTSQPSPC-UHFFFAOYSA-N 421.522 4.570 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3OC)cc2)cc1 6583872 FYJGAIITCOMJSN-UHFFFAOYSA-N 405.454 4.990 0 40 HJAB CCOc1ccc(-c2nc(COC(=O)Cc3ccc(F)cc3)cs2)cc1OC 6933105 GTQWVMNSKKODMB-UHFFFAOYSA-N 401.459 4.642 0 40 HJAB COc1cc(NC(=O)c2ccco2)c(C(=O)OCc2cccc(Cl)c2)cc1OC 7005472 APNOABPIYXUUEN-UHFFFAOYSA-N 415.829 4.560 0 40 HJAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccccc1Oc1ccccc1 7063749 UHYGPFFJZWBOFH-UHFFFAOYSA-N 402.450 4.623 0 40 HJAB COc1cc(CNCc2ccccn2)cc(Br)c1OCc1ccccc1 7274911 BOFNYKYHQQDABE-UHFFFAOYSA-N 413.315 4.722 0 40 HJAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ccccc1Sc1ccccc1 7297304 PHOAIWNQVIRAIW-HNNXBMFYSA-N 406.536 5.000 0 40 HJAB Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc3ccccc23)c1C 7939923 JJTXUCIPPWHYBS-UHFFFAOYSA-N 418.493 4.747 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nccn1-c1cccc(F)c1 8724996 JOUIVAQOOCIYGP-UHFFFAOYSA-N 421.501 4.545 0 40 HJAB COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccc(F)cc5)c4ncn3n2)cc1OC 9422162 CNUXCRZFESIZNG-UHFFFAOYSA-N 417.444 4.508 0 40 HJAB Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3)o2)cc1 9469322 PXWYWGHJJNNUKZ-UHFFFAOYSA-N 424.504 4.674 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1C(=O)Nc1ccccc1)C(=O)N1CCCCCC1 9533712 JMLVPRWEWRJRPY-MRXNPFEDSA-N 400.906 4.762 0 40 HJAB O=S(=O)(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc2c(c1)OCCO2 9672010 YZGOQSMUWUHCOA-UHFFFAOYSA-N 424.503 4.535 0 40 HJAB COc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4ccc(F)cc4)nc3C2)cc1OC 10156660 HOOLKODHBREFHZ-OAHLLOKOSA-N 407.445 4.598 0 40 HJAB O=C(CSc1nnc(COc2ccccc2)o1)Nc1nc(-c2ccccc2)cs1 12249516 NKPAPGPJKYFZIU-UHFFFAOYSA-N 424.507 4.503 0 40 HJAB CCC[C@H](NC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1)c1ccccc1 12569285 AEJSKLMNCXSOSX-QFIPXVFZSA-N 405.498 4.971 0 40 HJAB COc1cccc2c1O[C@H](c1ccc3c(c1)OCO3)N1N=C(c3cccs3)C[C@@H]21 13036502 YTNPAFNRCZQCGT-KSFYIVLOSA-N 406.463 4.728 0 40 HJAB COc1ccc(-c2csc(NC(=O)COc3ccc4ccccc4c3)n2)cc1OC 13112602 VGUGKYNETIMDCQ-UHFFFAOYSA-N 420.490 4.998 0 40 HJAB C[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccc(C(C)(C)C)cc1 13675897 IOGMVIJOTPSKMZ-NSHDSACASA-N 402.379 4.848 0 40 HJAB O=C(c1cccc(Br)c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 14085804 XVPKGJQNXINWDC-KRWDZBQOSA-N 402.288 4.588 0 40 HJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@@H](C)C(=O)c1ccc(F)c(F)c1 14854236 DHKDXZIOBCZDHG-NSHDSACASA-N 405.397 4.964 0 40 HJAB Cc1c(C)n(-c2ccccc2Br)c2ncn3nc(-c4ccco4)nc3c12 15842294 SJJIFNRXPVYKJB-UHFFFAOYSA-N 408.259 4.708 0 40 HJAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 21763241 FOCMXSZWEMHDDO-XQNSMLJCSA-N 405.494 4.637 0 40 HJAB O=c1[nH]c2cc(Cl)cc(N3CCN(Cc4cccc(-c5ccccc5)c4)CC3)c2o1 22054302 RWLBSOOQHDMEGO-UHFFFAOYSA-N 419.912 4.764 0 40 HJAB in-vitro COc1cc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c(OC)cc1Cl 23690046 IXGSEKQKCWPDJK-UHFFFAOYSA-N 406.847 4.516 0 40 HJAB FC(F)Oc1ccc2ccccc2c1CNC[C@H](c1cccs1)N1CCOCC1 25261199 HCSIJBSJTPIBHF-LJQANCHMSA-N 418.509 4.666 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)COc3ccc(Cl)c(C)c3)cs2)cc1 27993717 MDGPMTGPJXCAJC-UHFFFAOYSA-N 416.930 4.518 0 40 HJAB Cc1cc(C)cc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)c1 33089195 VCSBKZHJXAHTEC-ZDUSSCGKSA-N 411.299 4.750 0 40 HJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3cccc(CN4CCCCC4)c3)cc2)C1 38831723 JAAZYESBPNUWPW-JOCHJYFZSA-N 419.613 4.834 0 40 HJAB C[C@H](NC(=O)Cc1noc2ccccc12)c1ccc(NC(=O)Nc2ccccc2)cc1 40115295 FSLSIFFVXKSZOL-INIZCTEOSA-N 414.465 4.892 0 40 HJAB O=C(CNc1ccc(Cl)cc1C(=O)N1CCCC1)Nc1ccc2ccccc2c1 40135339 TYAZJQSEHGNNPS-UHFFFAOYSA-N 407.901 4.780 0 40 HJAB Cc1nc2nc3ccn([C@H]4CCC[C@@H](C)[C@@H]4C)c(=O)c3c(-c3ccc(F)cc3)n2n1 40398554 GQUFVIMCKZPHRD-TYILLQQXSA-N 405.477 4.551 0 40 HJAB COc1ccc(CNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1OC 44902249 MHXCSFGLLLAWET-UHFFFAOYSA-N 423.534 4.805 0 40 HJAB O=c1c2sccc2n(Cc2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1 67258356 AYEUHZLWZYHGEZ-UHFFFAOYSA-N 403.290 4.569 0 40 HJAB COc1cc2c(cc1OC)[C@H](CCc1c(C)noc1C)N(C(=O)C1CCCC1)CC2 72342696 SAJSVNDMDMBVGJ-NRFANRHFSA-N 412.530 4.557 0 40 HJAB COc1ccc(OCCc2cc([C@@H]3CCN(C/C(C)=C/c4ccccc4)C3)n[nH]2)cc1 72371562 CBFAGHBEUUFJGH-QMZMWQIVSA-N 417.553 4.933 0 40 HJAB Cc1cc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(C)o1 84081625 GWHIXRGSKCXAHQ-KPZWWZAWSA-N 409.313 4.685 0 40 HJAB COc1ccc(OC)c2c1s/c(=N\C(=O)C(c1ccccc1)c1ccccc1)n2C 100908905 ZGAMSYWIRUEOBT-IZHYLOQSSA-N 418.518 4.516 0 40 HJAB COc1ccc(-c2csc(C3=C(O)CN(c4cc(OC)cc(OC)c4)C3=N)n2)cc1 102718636 LIEMGIMJMCSMGJ-UHFFFAOYSA-N 423.494 4.602 0 40 HJAB C[C@@H](Nc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)c1ccccc1)c1ccccc1 217477951 VKIXHDNJTZEGLQ-IAGOWNOFSA-N 424.522 4.597 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219612805 BVVNYSTWAIIGFL-RBUKOAKNSA-N 403.906 4.925 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccnc1 222909632 MZVGDEFMUGNCLQ-YADHBBJMSA-N 405.571 4.513 0 40 HJAB C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 222951643 HMDDSXAQCXTDQG-CQSZACIVSA-N 408.361 4.509 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 222994211 OBSCAZFIGATGGL-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 223004101 RKEWMBPZBBGTMO-IBGZPJMESA-N 413.905 4.823 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 223405582 DITYYPWTCBUVLW-HXUWFJFHSA-N 416.562 4.640 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 223718009 OFSYUFRAGSFCBJ-OAQYLSRUSA-N 414.977 4.647 0 40 HJAB COc1ccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)cc1Cl 225820606 YSQBCGFNSPKPLM-UHFFFAOYSA-N 409.298 4.539 0 40 HJAB Cc1c(Br)ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1C 408638349 BYXYJLMKPNWSEK-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB CCn1c(SCc2ccccc2Cl)nnc1[C@H](C)NC(=O)c1ccccc1 409352099 WGDMKBUTLJOLHN-AWEZNQCLSA-N 400.935 4.735 0 40 HJAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 409367894 NLEPSMGXVKAWSV-MFOYZWKCSA-N 418.877 4.717 0 40 HJAB CN(C)C(=O)c1cc(NC(=O)C[C@H](c2ccc(Cl)cc2)n2cccc2)ccc1F 524732506 KQNILBKGQLAZAH-HXUWFJFHSA-N 413.880 4.601 0 40 HJAB Cc1cc(NC(=O)N(Cc2ccccc2)Cc2cc[nH]n2)nn1-c1cccc(Cl)c1 539737163 IYMPXTIVRQMJGL-UHFFFAOYSA-N 420.904 4.792 0 40 HJAB COc1cccc([C@@H]2CC(=O)c3c(nc4c(c(C)nn4-c4ccc(C)cc4)c3N)C2)c1 618257303 UPBIQIPXGXMGOP-KRWDZBQOSA-N 412.493 4.541 0 40 HJAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1c(Cl)ccc2ccccc12 1664379383 XIRXEXXKNQCKMT-NRFANRHFSA-N 411.910 4.658 0 40 HJAB CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cc2cc(OC)c(OC)cc2nc1Cl 644924 OQXKKTUJZRZTKD-IBGZPJMESA-N 423.900 4.993 0 40 HJAB CCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)c1 778578 FWSMIJWFJSOVTQ-UHFFFAOYSA-N 413.499 4.573 0 40 HJAB CC(=O)Cc1nsc(NC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)oc2C)n1 818258 DXEKJTWHBRLYOD-UHFFFAOYSA-N 410.282 4.797 0 40 HJAB CC(=O)Oc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1-c1ccccc1 991363 MVFAEVFOYJHYRS-UHFFFAOYSA-N 408.837 4.972 0 40 HJAB O[C@@H]1CCCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Cl)cc4)nn23)C1 1341280 MXEBWZZBQJHMMR-LJQANCHMSA-N 404.901 4.678 0 40 HJAB CCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OCC 2111590 DVRJHTXMJFZNDQ-AAJFVQQISA-N 406.526 4.511 0 40 HJAB biogenic Cc1ccnc(SCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1 2335943 CYEGXAPBARQBFA-UHFFFAOYSA-N 402.479 4.838 0 40 HJAB COc1ccc(OCc2nc3c4c(-c5ccccc5)c(C)sc4ncn3n2)cc1 2791644 QKDQLTSXUGXQHZ-UHFFFAOYSA-N 402.479 4.902 0 40 HJAB COc1ccc([C@@]2(CCNCc3ccc(OC)c(OC)c3)CCOC(C)(C)C2)cc1 4026469 PAVGOLAQPWUAGA-VWLOTQADSA-N 413.558 4.719 0 40 HJAB biogenic Cc1c(CC(=O)NCc2ccco2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 4743926 SRPPKTGLBQIYPF-UHFFFAOYSA-N 407.466 4.905 0 40 HJAB CCOC(=O)c1c(N2C(=O)c3ccccc3C2=O)sc2c1CC[C@H](C(C)(C)C)C2 4783974 MSUOIUBDGKFOBY-ZDUSSCGKSA-N 411.523 4.876 0 40 HJAB COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccccc3C)oc12 4937796 FBMROPCYKVHTAG-VHXPQNKSSA-N 405.475 4.815 0 40 HJAB CC[C@H](Sc1nnc(N)s1)C(=O)N1c2ccccc2Sc2ccccc21 5016461 BSPLCDQIUFENTR-ZDUSSCGKSA-N 400.554 4.821 0 40 HJAB CCSc1ccc(C(=O)N(CCN(C)C)c2nc3ccc(F)cc3s2)cc1 5242596 JYDFHCLOJUETBI-UHFFFAOYSA-N 403.548 4.756 0 40 HJAB COc1ccc([C@H]2c3cc4c(cc3O[C@@]3(N5CCCC5)CCC[C@H]23)OCO4)c(OC)c1 5554764 NYLWYKVNXOZERE-NGXZDTIWSA-N 423.509 4.549 0 40 HJAB C[C@H](OC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(=O)Nc1ncc(Cl)cc1Cl 5773205 HJWGKDLZRFXPJD-ZJUUUORDSA-N 413.326 4.759 0 40 HJAB CCCn1c(SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)nc2ccccc21 6313800 QEDSWOOVFBPVMM-UHFFFAOYSA-N 410.568 4.915 0 40 HJAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc(C)c1C 6451408 GKIBLHRQXSCTNL-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB CC(C)[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccc2c(c1)OCCCO2 7883874 URPQKUDDVZEVAE-NRFANRHFSA-N 412.511 4.595 0 40 HJAB C[C@@H](NCc1ccc(OC(F)F)cc1OC(F)F)c1ccc(-n2ccnc2)cc1 7984033 VIZFQUDZMAXHQJ-CYBMUJFWSA-N 409.383 4.926 0 40 HJAB COc1ccc(C(=O)C[C@@H](c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 8475340 NGVSACUSGNHBQS-QHCPKHFHSA-N 412.482 4.931 0 40 HJAB COP(=O)(OC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1cccnc1 8846122 JGMFHNNRDFMRRZ-UHFFFAOYSA-N 415.430 4.757 0 40 HJAB CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)cc1OC 8917243 ZARDSWFPQTTZTH-NRFANRHFSA-N 407.466 4.546 0 40 HJAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2)c1cccc2ccccc12 8919929 TWTRJPZFVGDNKP-LJAQVGFWSA-N 421.909 4.694 0 40 HJAB COc1ccc(CCC(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1 8959750 XSDJPQUCWRODEX-UHFFFAOYSA-N 424.541 4.674 0 40 HJAB C[C@H](C(=O)N[C@H](CO)Cc1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9051715 NSOSKLPLTIHRDN-KXBFYZLASA-N 406.913 4.798 0 40 HJAB CCOc1cc(C(=O)NCCCSc2ccccc2)cc(Br)c1OC 9442125 LEUUFKOSWRABHE-UHFFFAOYSA-N 424.360 4.769 0 40 HJAB COCCn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cccc(Cl)c1Cl 9601557 IRBBZBQRGRUNGM-UHFFFAOYSA-N 420.296 4.844 0 40 HJAB O=c1[nH]c2ccccc2nc1-c1cc(Br)ccc1NCc1ccccc1 9636189 OIZNGOWEXWKTPR-UHFFFAOYSA-N 406.283 4.965 0 40 HJAB CCOc1cc2c(cc1OCC)CN(C(=O)COc1c(Cl)cccc1Cl)CC2 9989447 QWJMOITYDREIHR-UHFFFAOYSA-N 424.324 4.755 0 40 HJAB CCc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 12414512 ZTBCKYFRPFNALJ-UHFFFAOYSA-N 417.896 4.918 0 40 HJAB COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(F)cc4F)c3)cn2n1 12441288 NCGSYOAZIMENMO-UHFFFAOYSA-N 414.799 4.589 0 40 HJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(NC(C)=O)ccc3C)ccc21 12605093 CFNXNOFMDALGJE-UHFFFAOYSA-N 421.522 4.882 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3ccc(N4CCCCC4=O)cc3)n2)cc1 12899179 KETFJXRAAVIZSU-UHFFFAOYSA-N 407.495 4.588 0 40 HJAB C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1Br 12904636 SQQVTQFKHCJGCW-CYBMUJFWSA-N 417.328 4.976 0 40 HJAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CCCOc1ccc(C(C)(C)C)cc1 13071234 QSWAJVQYEQPIDI-OAQYLSRUSA-N 411.542 4.832 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccccc1Br 14002771 GATBSIIILNAZIX-UHFFFAOYSA-N 401.304 4.718 0 40 HJAB CCCOc1ccc2ccccc2c1CN(C)C(=O)Cc1ccc(NC(C)=O)cc1 14202326 CWVSPSRXKSQDLT-UHFFFAOYSA-N 404.510 4.788 0 40 HJAB O=C(Cc1cccc(F)c1)N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 15778720 XOGFYSXBWZKBMH-OAQYLSRUSA-N 421.859 4.977 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1 17087723 QXRGICGRIVRWGL-UHFFFAOYSA-N 407.495 4.530 0 40 HJAB O=C(c1ccccn1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373243 YFWORUWXXWTRHB-JOCHJYFZSA-N 422.492 4.655 0 40 HJAB Cc1c(-c2csc(NC(=O)[C@@H](C)n3c(C(C)C)nc4ccccc43)n2)cnn1C 19667014 OMJMTTUJOWZMBL-CQSZACIVSA-N 408.531 4.525 0 40 HJAB Cc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c(OCC(=O)O)c1 20158264 UBAHCDGGDKRANW-UHFFFAOYSA-N 418.474 4.987 0 40 HJAB Cc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCOCC2)cc1 20192390 LSKZGAAFJPREHM-NRFANRHFSA-N 410.539 4.940 0 40 HJAB CC(C)N1CCc2c(sc3ncn4nc(-c5cc6ccccc6cc5O)nc4c23)C1 20332530 VJVIQXIKWAKRCY-UHFFFAOYSA-N 415.522 4.631 0 40 HJAB O=C(NCCCc1ccc(F)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 20568020 JCFLNUBGGRQIKN-UHFFFAOYSA-N 402.513 4.747 0 40 HJAB CCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)Nc3nc4ccccc4n32)cc1OC 20633441 SMIFGJPNYXADPG-QFIPXVFZSA-N 421.497 4.686 0 40 HJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(C)cc1C 21580770 CPQWYPCMJJBARD-UHFFFAOYSA-N 401.466 4.873 0 40 HJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 22526429 ONIROWWYVKJGCC-QFIPXVFZSA-N 406.457 4.552 0 40 HJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 22533468 QQQXBQYUWIDWKO-NRFANRHFSA-N 400.950 4.771 0 40 HJAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O 22705441 QGOJUVKBHZKLSQ-FQEVSTJZSA-N 416.264 4.616 0 40 HJAB Cc1noc(C)c1COc1ccc(CC(=O)N(C)C2C3CC4CC(C3)CC2C4)cc1 24925304 AOSLCBVGJNXIQS-UHFFFAOYSA-N 408.542 4.696 0 40 HJAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1ccc(OC(F)(F)F)cc1 25274989 WJLLLURBBOFQDN-JXMROGBWSA-N 421.375 4.680 0 40 HJAB COc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccc(F)cc4)cc3)n2)cc1 32624057 HHYRFZFIFYTSOP-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB CCCOc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)c2cccnc12 32624139 WOVDVDMEAQZAHR-UHFFFAOYSA-N 403.438 4.940 0 40 HJAB C[C@@H](NC(=O)COc1ccccc1Cl)c1cccc(NC(=O)c2ccccc2)c1 32925163 IIHYUPSOBVPUEB-MRXNPFEDSA-N 408.885 4.849 0 40 HJAB O=C(CSc1nc2ccccc2o1)OCc1cc(-c2ccc(F)cc2F)on1 38767095 JCLVVPWOWAZDLY-UHFFFAOYSA-N 402.378 4.597 0 40 HJAB CCOc1ccc(-c2noc(CCC(=O)N(Cc3ccco3)c3ccccc3)n2)cc1 40069721 TXHYILDDMRVNJV-UHFFFAOYSA-N 417.465 4.894 0 40 HJAB CCN1CCN(c2ccc(NC(=O)N[C@H](c3ccc(F)cc3)C(C)C)c(C)c2)CC1 40103850 YKNFMSBCKMJXQC-QHCPKHFHSA-N 412.553 4.795 0 40 HJAB CCN(C(C)=O)c1nc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cs1 40154492 KXXQXQHQZKCTEL-UHFFFAOYSA-N 418.950 4.690 0 40 HJAB COc1cccc2ccc(CN(CCCn3ccnc3)Cc3ccc(C)s3)nc12 43277882 WMMSOXPEPHPCCJ-UHFFFAOYSA-N 406.555 4.902 0 40 HJAB O=C(c1cc2sccc2n1Cc1ccccc1F)N(CCO)Cc1ccccc1 44892083 MRTFVVQYYKBMAM-UHFFFAOYSA-N 408.498 4.525 0 40 HJAB CCN(CC)CCSc1nc2sc3c(c2c(=O)n1CC)CCc1ccccc1-3 51330911 PZTDCCBBHGSORI-UHFFFAOYSA-N 413.612 4.677 0 40 HJAB CC(=O)c1cn(CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c2ccccc12 64987045 KUAYWMJSXSNXQN-VWLOTQADSA-N 420.509 4.519 0 40 HJAB CC(C)Oc1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccc(F)cc3)C4)n2)cc1 97086868 PMBHCPSBECDUBK-HXUWFJFHSA-N 420.444 4.798 0 40 HJAB COC(=O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 222857383 KRUWPAASGAITQU-RTWAWAEBSA-N 421.522 4.509 0 40 HJAB CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 223359453 VVRAJZMJAFOGEQ-XMMPIXPASA-N 420.940 4.789 0 40 HJAB CCSc1ccccc1NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 223423429 DSLQWMDMEVFODE-UHFFFAOYSA-N 424.613 4.916 0 40 HJAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 223429744 OMKWTBSWKHQLST-FGZHOGPDSA-N 406.555 4.645 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)cc(C)c1 223674353 XJVPHMKWNQYVHZ-HSZRJFAPSA-N 424.585 4.577 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 224476995 AFHPDHAKFKIZPM-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C 225451683 SMCHXPKDYHCTCU-QHCPKHFHSA-N 424.585 4.565 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2F)c1C 225612883 GMXAPXYHYLTQNQ-UHFFFAOYSA-N 420.575 4.921 0 40 HJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccc(C)cc1 225631880 GSXBQSJHKCLBGI-LEYFIJQKSA-N 402.494 4.935 0 40 HJAB CCOc1cc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)ccc1OC 225771410 JFZHTBROZOHPSJ-UHFFFAOYSA-N 400.544 4.902 0 40 HJAB CCOc1ccc2c(c1)OC1(CCN(C(=O)Nc3cccc(Cl)c3)CC1)CC2=O 225820747 UYFMKTYSULLWJF-UHFFFAOYSA-N 414.889 4.771 0 40 HJAB CCCOc1ccc(C(=O)O)cc1-c1cc(-c2cccc(F)c2)n(C[C@H](O)CC)n1 257328551 XGDXWUSYICDUGK-GOSISDBHSA-N 412.461 4.614 0 40 HJAB CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(I)cc1 408585419 DEMZFDZUMTXTEW-UHFFFAOYSA-N 415.658 4.986 0 40 HJAB COc1ccc(/C=C(/C(=O)NCCc2ccc(OC)c(OC)c2)c2ccccc2)cc1 408907186 MDEHFPRPLHWXCG-HAVVHWLPSA-N 417.505 4.612 0 40 HJAB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCCCC1 409005391 ZSQGKWPZLCMZKL-QFIPXVFZSA-N 413.562 4.690 0 40 HJAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1 409357242 HXIPVVJFXQTDGH-DEDYPNTBSA-N 402.475 4.823 0 40 HJAB O=C(c1cc2c(Cl)cccc2[nH]1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 583647579 MUMOMJJBRFKSKD-BSWISCRUSA-N 409.961 4.857 0 40 HJAB biogenic CCN1CCCC[C@H]1CCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 2037850027 IHFCHJPPZMARAK-FQEVSTJZSA-N 420.509 4.689 0 40 HJAB Cc1ccc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1C 793727 YFCQFSLSETYJHS-UHFFFAOYSA-N 417.416 4.741 0 40 HJAB Cc1cc(C)c2cc(CN(C(=S)NCc3ccco3)C3CCCCC3)c(=O)[nH]c2c1 874715 DAGYSVKYQXFLRX-UHFFFAOYSA-N 423.582 4.947 0 40 HJAB CCCc1nc2sc3c(S[C@@H](C)C(=O)OC)ncnc3c2c2c1CCCC2 1303223 WPSMKLZVYDCKEJ-NSHDSACASA-N 401.557 4.724 0 40 HJAB O=C1[C@@H](Oc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1CCc1ccc(Cl)cc1 1444357 YLVRYGJTBCEPLF-PKTZIBPZSA-N 421.880 4.642 0 40 HJAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccccc2Cl)c(C(=O)OCC)c1C 1903821 LZSLXHDRHHBGPL-ZHACJKMWSA-N 421.902 4.715 0 40 HJAB CC[C@]1(C)Cc2c(sc3nc(SCc4ccc5c(c4)OCO5)nc(N)c23)CO1 2296906 KUMARUNLCYIFMT-HXUWFJFHSA-N 415.540 4.536 0 40 HJAB COc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)ccc1OC(F)F 2658955 CZLJWBPVSJKLQF-UHFFFAOYSA-N 423.466 4.693 0 40 HJAB CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 2703685 QXSJCOBVJDHPCR-QFIPXVFZSA-N 412.445 4.645 0 40 HJAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccccc1Br 3008109 CRPKQFNFYUFEJK-UHFFFAOYSA-N 418.291 4.773 0 40 HJAB CSc1nn(-c2ccc(C(=O)O[C@H](C)C(=O)c3ccccc3)cc2)c(=S)s1 3446421 WHWADCPXNZJGND-GFCCVEGCSA-N 416.549 4.813 0 40 HJAB CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccccc1 4082656 IAPQJTWDFSUNMC-LAVLVCENSA-N 405.538 4.993 0 40 HJAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)Nc1ccc2c(c1)OCO2 4275537 PVQHVIHYVIEMOH-UHFFFAOYSA-N 415.474 4.756 0 40 HJAB Cc1cccc(NC(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)c1 4356338 AGAFUPBQAGHEGM-UHFFFAOYSA-N 414.328 4.945 0 40 HJAB Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(C)c(Cl)c3)nn2)s1 4358387 RVHQBGFXQLYLIT-UHFFFAOYSA-N 404.948 4.910 0 40 HJAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 4496193 VRKBRFDZUDOIQO-UHFFFAOYSA-N 414.552 4.538 0 40 HJAB COc1ccc2cc(C(=O)N(Cc3ccc(OC)c(OC)c3)Cc3ccco3)[nH]c2c1 5303788 INNAOYPEXDTGON-UHFFFAOYSA-N 420.465 4.629 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 5902915 VKQIPQNASUJLHR-NSHDSACASA-N 420.962 4.912 0 40 HJAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 6315907 YAKLYARQKSIVLU-UHFFFAOYSA-N 404.713 4.610 0 40 HJAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cccc(C)c1C 6359436 KBVGHXHKNRJWMJ-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB CCCCNc1nnc(SCC(=O)c2cc(C)n(-c3nccs3)c2C)s1 6587391 KFIVEPCQKNMNJC-UHFFFAOYSA-N 407.590 4.589 0 40 HJAB CCCCc1ccc(-c2nc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)sc2C)cc1 6593019 VEUVAJJBHUDSHS-HCXYKTFWSA-N 410.539 4.923 0 40 HJAB CCOc1ccc(C2=NNC(c3ccncc3)=Nc3ccc(Cl)cc32)cc1OCC 6601880 WXZZPTUSEVXGKW-UHFFFAOYSA-N 420.900 4.966 0 40 HJAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OCC)c(OC)c1 6752976 QPALGGNPPFNDBH-QHCPKHFHSA-N 421.497 4.535 0 40 HJAB O=C(COc1ccccc1-c1ccccc1)Nc1cc(Cl)ccc1N1CCOCC1 6832238 UYBYBSUCKQIPCO-UHFFFAOYSA-N 422.912 4.861 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccccc2)cc1 6923442 SCZOTHACEQHIGB-UHFFFAOYSA-N 422.550 4.952 0 40 HJAB COc1ccc(Br)cc1-c1nc(CSc2nncs2)cs1 7007715 OVFPOCZWQVWZTQ-UHFFFAOYSA-N 400.348 4.725 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(Cl)cn3)s2)cc1C 7238847 HCYPMRDFIFCHFM-UHFFFAOYSA-N 405.936 4.678 0 40 HJAB CCNc1c(NS(=O)(=O)c2ccc(CC(C)(C)C)cc2)c(=O)oc2ccccc12 7363334 ANWKUFAMHNQJKW-UHFFFAOYSA-N 414.527 4.614 0 40 HJAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(-c2ccccc2Cl)o1 7436974 VHVNTANJASLCNL-UHFFFAOYSA-N 401.846 4.556 0 40 HJAB CC(=O)Nc1cccc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c1 7669853 BEYMZLNYUCTVAV-UHFFFAOYSA-N 412.445 4.979 0 40 HJAB COc1cc(CNn2cn[nH]c2=S)ccc1OCc1ccc(Cl)cc1Cl 8471689 KELSWSSTVMYHFQ-UHFFFAOYSA-N 411.314 4.579 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1F)c1ccccc1F 8810769 JBQSTKWHLPSSMW-UHFFFAOYSA-N 422.497 4.608 0 40 HJAB Cc1ccccc1-c1noc(-c2nnn(-c3ccc(Br)cc3F)c2C)n1 9300412 MNUWMGCSEKYOLG-UHFFFAOYSA-N 414.238 4.503 0 40 HJAB Cc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1NS(=O)(=O)c1ccccc1 10361191 DMWLSLPHDOIYOX-IBGZPJMESA-N 422.550 4.547 0 40 HJAB Cc1cn2c(/C=C/C(=O)O[C@@H](C)C(=O)c3c(C)[nH]c4ccccc34)c(C)nc2s1 10727551 BJALZRAJJBHLMP-FEAKQIBJSA-N 407.495 4.630 0 40 HJAB Cc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N1CCCCCC1 12062350 SCSQFIVQRWKOMV-UHFFFAOYSA-N 423.582 4.918 0 40 HJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)c3ccc4c(c3)OCCO4)c2n1 12484593 PYDJQCNRNQYJAX-UHFFFAOYSA-N 404.249 4.883 0 40 HJAB CC(=O)N(c1nc(COc2ccc3ccc(=O)oc3c2)cs1)c1ccccc1F 12915686 ICJARYJPRVCLAL-UHFFFAOYSA-N 410.426 4.652 0 40 HJAB O=C(COc1ccc(Br)cc1)N[C@@H](c1ccc(F)cc1)c1cccs1 12981711 ZICKOYFPTBYZQK-IBGZPJMESA-N 420.303 4.934 0 40 HJAB CCc1ccc([C@@H](C)NCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 13041892 WKVALISNJHUBHL-GOSISDBHSA-N 401.510 4.791 0 40 HJAB C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2ccc(C(C)C)cc2)cc1)C(=O)O 13579291 DBLKRVZCBSSRRK-QINSGFPZSA-N 412.511 4.510 0 40 HJAB CC[C@@H](C)C(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)N(C(C)C)c1ccccc12 13635253 PHJQBPWBBDAMKC-WGDIFIGCSA-N 415.537 4.597 0 40 HJAB O=C(N[C@@H](Nc1nc2ccccc2s1)C(Cl)(Cl)Cl)c1ccc(F)cc1 13647157 LONWKURXXBGZLF-AWEZNQCLSA-N 418.708 4.974 0 40 HJAB O=C(CCC(=O)c1ccccc1)NCCC(=O)OCc1ccc(-c2ccccc2)cc1 16695666 OJEBUIMBVIHJSV-UHFFFAOYSA-N 415.489 4.566 0 40 HJAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1F 17121077 UFRQKQBAIHXYHR-UHFFFAOYSA-N 403.866 4.678 0 40 HJAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 20110575 WXGFMBOKDLTXFA-OAHLLOKOSA-N 414.914 4.632 0 40 HJAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(OCCC(C)C)c1 20672475 TYVBYYQTZKFXNN-QFIPXVFZSA-N 405.498 4.923 0 40 HJAB CC(C)C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1nnc2ccccn12 20714904 QSSPBEZQVNXTNC-IBGZPJMESA-N 412.493 4.871 0 40 HJAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1c(Cl)cccc1Cl)SCC(O)=N2 20744818 WKXYVPAHKIZWNA-HNNXBMFYSA-N 406.298 4.702 0 40 HJAB CCc1nc2sc([C@H](c3cccc(C)c3)N3CCc4ccccc4C3)c(O)n2n1 22855065 CWUAYUDHTRQKNA-FQEVSTJZSA-N 404.539 4.515 0 40 HJAB COc1ccc(Cl)cc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23379450 IXAMHLQGCSEHFA-UHFFFAOYSA-N 420.940 4.896 0 40 HJAB CC(C)C(=O)Nc1ccc(CNC(=O)N[C@@H](C)c2cccc(Br)c2)cc1 31043649 QQJUXGOCPKGWGD-AWEZNQCLSA-N 418.335 4.604 0 40 HJAB Cc1cccc(OCC(=O)Nc2nc(-c3ccc(Br)s3)ns2)c1C 32594247 CGSNCHFWYYPDRG-UHFFFAOYSA-N 424.345 4.663 0 40 HJAB Cc1nc2cc(Cl)ccc2cc1C(=O)NCc1cccc(NC(=O)c2ccco2)c1 32817402 SVHIQLHGJHWHIO-UHFFFAOYSA-N 419.868 4.972 0 40 HJAB COc1ccc(NC(=O)CSCc2cc(=O)c3ccc(C)c(C)c3[nH]2)cc1Cl 33064028 SKMUEAMEJBERBI-UHFFFAOYSA-N 416.930 4.679 0 40 HJAB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1ccc(Br)o1 35647012 DFCPQLGJEHPYBV-XFFZJAGNSA-N 417.206 4.953 0 40 HJAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1NC(=O)c1cccc(F)c1 36394936 FYJCRISFGGXRFW-UHFFFAOYSA-N 422.431 4.896 0 40 HJAB Cc1c(-c2nn(-c3cccc(Cl)c3)c(-c3cnn(C)c3C)c2Cl)cnn1C 36611527 YRSURPKUTKCNDW-UHFFFAOYSA-N 401.301 4.597 0 40 HJAB CCN(CC)CCOc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(OC)cc1 40104531 YIUNSWKPONRDPX-QFIPXVFZSA-N 411.546 4.785 0 40 HJAB COc1ccc([C@H](NC(=O)c2cccc(CN3CCCC3)c2)c2ccccc2)cc1 40157976 YYNVCPIVQLARCO-RUZDIDTESA-N 400.522 4.810 0 40 HJAB O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC[C@@H]1c1ccccc1 44405247 NWHCTUBFAWHHAY-HSZRJFAPSA-N 405.519 4.638 0 40 HJAB Cc1cc2oc(=O)cc(CN3CCC[C@H]3c3ccc4c(c3)OCCCO4)c2cc1C 57688791 DZCYMGSTIGCNEJ-NRFANRHFSA-N 405.494 4.908 0 40 HJAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1Cl 71980422 VYFPDYBUSNSHCJ-WCKOCXJASA-N 414.329 4.852 0 40 HJAB CCOc1ccc(-c2[nH]ncc2C(=O)NCCc2ccc(Cl)cc2)cc1Cl 72329341 YUAULRGAZGYPOS-UHFFFAOYSA-N 404.297 4.755 0 40 HJAB O=C(Nc1cc(F)c(F)c(F)c1)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 78870056 PUPUSJHNPFKFEW-HXUWFJFHSA-N 412.411 4.533 0 40 HJAB CC(C)c1noc(-c2ccccc2NC(=O)COc2ccc(Br)cc2)n1 96346710 CSLUSZICAMOSEQ-UHFFFAOYSA-N 416.275 4.640 0 40 HJAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1 96924969 DLMDWRTUDHYTNY-LZYBPNLTSA-N 421.305 4.590 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1C 98072912 JLTPBOXDMBOBQT-UHFFFAOYSA-N 408.239 4.886 0 40 HJAB Cc1cc(C)cc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)c1 98212658 ISPPATZWSQAVTI-UHFFFAOYSA-N 408.933 4.746 0 40 HJAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4cc(F)cc(F)c4)C3=C(O)C2)cc1 102699448 BUFYLCGNQBHVOI-ASSNKEHSSA-N 408.408 4.630 0 40 HJAB Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccncc1)O2 102907232 SXCXSEUNERFHMP-AVRDEDQJSA-N 405.841 4.706 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCN(c2cc(C3CC3)ncn2)C1 206655673 GDVAXTUWIJULTM-ZDUSSCGKSA-N 424.854 4.881 0 40 HJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 219242499 XLOFEZDWNZROTN-QGZVFWFLSA-N 424.570 4.692 0 40 HJAB Cc1ccc(CN(C(=O)CSc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222749399 IWUMDQRRYATDFI-LJQANCHMSA-N 412.599 4.728 0 40 HJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)OC)cc2)o1 222902359 GPGOFHSNTGHWHR-LEWJYISDSA-N 421.522 4.511 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 224153877 MQLKKRPUZZOINQ-JOCHJYFZSA-N 412.961 4.749 0 40 HJAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 224395215 BLEHLTUTBJBXAM-YADHBBJMSA-N 418.497 4.841 0 40 HJAB COc1ccc(CC(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C 224541397 FNHAZNQRPVBJNV-UHFFFAOYSA-N 407.514 4.552 0 40 HJAB Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1C 224665410 GCIYFFXFIKEBGR-NRFANRHFSA-N 422.569 4.548 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225232237 QDICWTLOAHLHFT-IERDGZPVSA-N 409.526 4.760 0 40 HJAB CCC(CC)C(=O)N1CCC(Cc2cccc(-c3ccccc3)c2)(C(=O)NC)CC1 257279685 OHSVLDBGIDUOKW-UHFFFAOYSA-N 406.570 4.687 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c1 408738957 XIBKPBYVWINKOV-WIYYLYMNSA-N 412.530 4.741 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1CC(C)C 409105842 LGAZXQSGTSGTAY-UHFFFAOYSA-N 408.571 4.873 0 40 HJAB CCCOC(=O)c1cc(NC(=O)CSc2nc3ccccc3[nH]2)ccc1Cl 409176108 HOBXLDXXQLNLQZ-UHFFFAOYSA-N 403.891 4.514 0 40 HJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1ccc(OC(F)(F)F)cc1 585147839 BNJVMFJVNZZZQJ-ZDUSSCGKSA-N 413.442 4.839 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3ncnn32)cc1OC 803093 UYHGBEIZHCDFHG-HOTGVXAUSA-N 405.285 4.748 0 40 HJAB CCC(=O)Nc1ccc(NC(=O)CSc2nc3cc(OC)ccc3cc2C)cc1 932992 XIFCKOOLRURJDG-UHFFFAOYSA-N 409.511 4.631 0 40 HJAB CCCC(=O)Nc1cccc(NC(=O)c2ccc(OCC)c(Br)c2)c1 1100137 QJMIJEIGYHHNLV-UHFFFAOYSA-N 405.292 4.839 0 40 HJAB CCc1c(C)c2ccc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc34)cc2oc1=O 2150615 QYBWWLNPGAMMAZ-UHFFFAOYSA-N 419.477 4.734 0 40 HJAB biogenic COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cccc(C)c2)cc1 2300902 RIPAEOOGWBBZMS-UHFFFAOYSA-N 400.478 4.850 0 40 HJAB O=C(Nc1nc2n(n1)[C@@H](c1ccccc1Cl)C[C@H](c1ccccc1)N2)c1ccco1 2398370 DFSMFAADKMMFOB-QZTJIDSGSA-N 419.872 4.923 0 40 HJAB COc1ccc(-c2cc(C(F)(F)Cl)n3nc(C)c(Br)c3n2)cc1 2786368 FITHXKKQSFCOED-UHFFFAOYSA-N 402.626 4.764 0 40 HJAB COc1cc(/C=C/C(=O)Oc2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 3278971 PHCYJPCXEYLSEV-NTEUORMPSA-N 420.461 4.910 0 40 HJAB COc1ccccc1OCCNc1nc(-c2cccnc2)nc2sc(C)c(C)c12 3406966 BTUJJEMPOVODDW-UHFFFAOYSA-N 406.511 4.870 0 40 HJAB COc1ccc(OCc2nnc(SC[C@@H]3CCCCO3)n2-c2ccccc2)cc1 3418134 RRERBOBJERIWTC-FQEVSTJZSA-N 411.527 4.516 0 40 HJAB CCCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OCC 3999925 HXKJTQQHPPEFCK-BOMYWPOKSA-N 420.553 4.901 0 40 HJAB biogenic CCOC(=O)N1CCc2c(sc(NC(=O)CC)c2-c2nc3ccccc3s2)C1 4281050 DHEDPTGGEJSTDU-UHFFFAOYSA-N 415.540 4.888 0 40 HJAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 4678162 WQQBNRJCXYARKH-UHFFFAOYSA-N 407.558 4.541 0 40 HJAB Cn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 4685314 HCOJLNWBFQOUHE-UHFFFAOYSA-N 418.975 4.633 0 40 HJAB C[C@H](NC(=O)CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)c1ccccc1 4742840 KLEJPCWSIFJSAQ-GKVSMKOHSA-N 409.489 4.591 0 40 HJAB CCCC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@H]1c1ccc(OC)cc1 4816871 GLJYUUNXRYBWRT-PMACEKPBSA-N 410.905 4.808 0 40 HJAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1cc(C)ccc1OC)OCO3 4849543 ZYBJZORJDZLJTK-UHFFFAOYSA-N 410.495 4.574 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)Nc3ccccc3)s2)c1 4851553 MHVIQNMTGGCMFE-UHFFFAOYSA-N 413.528 4.530 0 40 HJAB O=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(c2ccccc2F)CC1 4859370 HFLGDYNUNYLMGN-UHFFFAOYSA-N 419.525 4.853 0 40 HJAB CC(C)Cc1nc(NCc2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2n1 4985521 GCSDGEFYNDQUJS-UHFFFAOYSA-N 406.921 4.734 0 40 HJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)Sc2ccccc2O3)cc1 5481062 PUIYSTPKDSNULT-UHFFFAOYSA-N 412.492 4.703 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 6217088 GQDUPAZIISHOPO-INIZCTEOSA-N 416.930 4.849 0 40 HJAB COc1cc([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1cccc(C)c1 6678786 JPLRPUXIOQWNEG-QVKFZJNVSA-N 423.538 4.777 0 40 HJAB Cc1ccc(CNC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1 6747997 KABFEYGCVLRWCU-UHFFFAOYSA-N 401.894 4.800 0 40 HJAB Cc1nc(SCC(=O)N(C)Cc2nc3ccccc3s2)n(C2CCCC2)c1C 7030816 BKKSIBQMFKWHRD-UHFFFAOYSA-N 414.600 4.975 0 40 HJAB O=C1c2ccccc2N[C@@H](c2cc(Cl)c3c(c2)OCCCO3)N1Cc1ccco1 7113059 YCMKPUHQOSNXDU-OAQYLSRUSA-N 410.857 4.861 0 40 HJAB O=C(CSc1ncnc2ccccc12)N1c2ccccc2OC[C@H]1c1ccccc1 7191865 MUOAIMLMTBAHEF-NRFANRHFSA-N 413.502 4.889 0 40 HJAB Cc1cc(-c2csc(NC3CC3)n2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 7274517 IKAOZVZAKZWSFR-UHFFFAOYSA-N 419.554 4.590 0 40 HJAB O=C(Cc1ccc2c(c1)OCCO2)N(Cc1ccccc1)c1nc2c(s1)CCCC2 7990537 GSULMHCYRJUVSQ-UHFFFAOYSA-N 420.534 4.569 0 40 HJAB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N[C@H](C)c3ccco3)n2n1 8216175 SYMYWTLPUZVCTJ-MRXNPFEDSA-N 406.511 4.576 0 40 HJAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(NC3CCCCC3)s2)c1C 8735773 GFLOISZYUURFHR-CQSZACIVSA-N 422.620 4.883 0 40 HJAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccco4)ccc3c2C)cc1OC 8769079 SUFKZGBMTXYCNH-UHFFFAOYSA-N 405.406 4.835 0 40 HJAB biogenic COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C(C)C 9426063 COEOZFSXHVKNFY-UHFFFAOYSA-N 402.285 4.521 0 40 HJAB O=C(CSc1nc(Nc2ccc(F)cc2)c2ccccc2n1)NCc1ccco1 9474956 SMVOXHAUFQJHCV-UHFFFAOYSA-N 408.458 4.514 0 40 HJAB COc1ccc(C(C)=O)cc1CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 9494045 HWUUZCXAHVFQNE-UHFFFAOYSA-N 415.824 4.905 0 40 HJAB Cc1c(Cl)cccc1NC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2)n1 9818845 IWUGVKSSYVFVOJ-ZHACJKMWSA-N 411.914 4.938 0 40 HJAB CCOc1ccc2oc(C(=O)N[C@H](c3ccc(F)cc3)c3nccn3C)c(C)c2c1 10656336 XXASONHZUDFTGU-HXUWFJFHSA-N 407.445 4.532 0 40 HJAB O=C(c1cccs1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1 12409485 XXQKIUIWJLZBKS-HXUWFJFHSA-N 402.454 4.822 0 40 HJAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1ccc(OC(F)F)c(Cl)c1 12920320 QRIHWIRALQOESW-UHFFFAOYSA-N 416.862 4.563 0 40 HJAB COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(F)cc2)cc1 13777698 CQNRQHOVPXDDKV-UHFFFAOYSA-N 416.452 4.831 0 40 HJAB O=C(COc1ccc(Cl)cc1Br)Nc1nnc(-c2ccccc2)s1 18702817 OUECNWMPSOGJKY-UHFFFAOYSA-N 424.707 4.639 0 40 HJAB Cc1c(-c2cccs2)n[nH]c1C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 19555131 LGQGGFDPCGQMOD-IBGZPJMESA-N 411.527 4.735 0 40 HJAB Cc1nc2ccc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)cc2nc1C 19663758 DMZKCTMVDXIYON-UHFFFAOYSA-N 402.454 4.683 0 40 HJAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(Cl)cc1Cl 20479059 BYCQHLTVLUNKBW-UHFFFAOYSA-N 421.305 4.873 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3ccc(C)cc3C)nnc2c1-c1ccc(OC)cc1 20672920 XJWBTTDNJWGVBJ-UHFFFAOYSA-N 415.497 4.540 0 40 HJAB COc1ccc(CN(C(=O)Cn2c(SC(F)F)nc3ccccc32)C2CC2)cc1 23925727 OQFJKFYCQCHSQD-UHFFFAOYSA-N 417.481 4.551 0 40 HJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 28206848 AIDQMUIMCLGOJW-GOSISDBHSA-N 420.534 4.696 0 40 HJAB CCOc1ccc(C(=O)CSc2noc(-c3ccc(Br)cc3)n2)cc1 28527000 FBIICHDYSNSKQJ-UHFFFAOYSA-N 419.300 4.873 0 40 HJAB Cc1nc(-c2ccccn2)sc1C(=O)NC(C)(C)c1ccc(Br)cc1 32399077 IZVCSZSBLZYNGK-UHFFFAOYSA-N 416.344 4.941 0 40 HJAB Cc1sc(NC(=O)c2ccnc(N(C)C)c2)nc1-c1ccc(Br)cc1 32913078 VTMXXQWXQWKLBW-UHFFFAOYSA-N 417.332 4.594 0 40 HJAB Cn1c(-c2ccccc2F)nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S 32913320 FPUSGGDTHLHZKY-OAHLLOKOSA-N 423.517 4.735 0 40 HJAB COc1cccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccccc3C)no2)c1 33325018 FAHGCULFQPQGCH-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB COc1ccc(CN2C(=O)/C(=C\N[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc3C2=O)cc1 34858977 OBOIWTUNSQCWPD-WVZBNQFOSA-N 418.537 4.633 0 40 HJAB CC1=C(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)[C@H](C)NN1Cc1ccccc1C 35268939 MGDJFWUNOYSTGC-LPHOPBHVSA-N 422.573 4.504 0 40 HJAB O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38833989 HAEUJBQDCAAIPQ-OAHLLOKOSA-N 407.739 4.953 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)c3ccccc3)c(Cl)c2)cc1 44842876 GOCAQVHHILPOFQ-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OC)c(OC)c1OC 44902422 KKQONLQTOXMXSH-QGZVFWFLSA-N 409.935 4.553 0 40 HJAB COc1cccc(Cc2nc3c4c(C)c(C)n(-c5cccc(C)c5C)c4ncn3n2)c1 44928684 DIKRMJRQCZSUMI-UHFFFAOYSA-N 411.509 4.901 0 40 HJAB O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cc(C2CC2)nn1-c1ccccc1 57369222 CUPLLFARPWPVOR-FQEVSTJZSA-N 417.509 4.950 0 40 HJAB CN(C)c1cccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 58310012 OECFKBLHHZMNIK-UHFFFAOYSA-N 406.452 4.693 0 40 HJAB Cc1nc2ccc(C(=O)N3CCCC[C@H]3c3nc(-c4ccccc4)no3)cc2nc1C 71862781 MMYZFRHJJDVXGV-NRFANRHFSA-N 413.481 4.664 0 40 HJAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(C4CC4)on3)cc21 77200725 URBNOQQSKUEGPG-UHFFFAOYSA-N 411.502 4.602 0 40 HJAB COc1ccc([C@H](CNc2cc(C(F)(F)F)nc3ccccc23)N(C)C)cc1OC 89313892 VIDBMPHBRKJIAJ-SFHVURJKSA-N 419.447 4.986 0 40 HJAB FC(F)(F)c1nnc2ccc(NCCc3csc(-c4ccccc4Cl)n3)nn12 95442241 DGUGLSVBEOGSBY-UHFFFAOYSA-N 424.839 4.575 0 40 HJAB CC(=O)OCCCc1cccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)c1 96012052 ZJDVWPVSWNWSFG-UHFFFAOYSA-N 424.522 4.779 0 40 HJAB CC(C)CN1Cc2cccc(C(=O)N3[C@@H]4CC[C@@H]3CC(c3ccc(F)cc3)C4)c2C1=O 100166712 DYAWHOGVJUXOLE-FGZHOGPDSA-N 420.528 4.988 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 138406165 VPXHDCLLTJSDDN-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 222595149 GTIBLCRZGVRFEU-JOCHJYFZSA-N 414.977 4.831 0 40 HJAB Cc1cc(C)c(S(=O)(=O)NCCCNc2ccnc3cc(Cl)ccc23)c(C)c1 222975826 HDEJWICMJBQBQT-UHFFFAOYSA-N 417.962 4.594 0 40 HJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)cc1 224192219 LFMNLKFPNSAGNJ-PKTZIBPZSA-N 411.534 4.753 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 225115963 GGPLMTIHVNQOAC-YADHBBJMSA-N 424.585 4.794 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 225248200 HANCGQCTAXGFBV-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 225529059 YJCGFQBSFGHNMT-UHFFFAOYSA-N 410.867 4.887 0 40 HJAB Fc1cc(Br)ccc1NC(=S)NCCCSCc1ccco1 225594236 WIUQIGBVMYZANU-UHFFFAOYSA-N 403.342 4.791 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2)c1C 225598419 QQQZTAMLYWTIPG-UHFFFAOYSA-N 402.585 4.782 0 40 HJAB COC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2F)c1C 225612446 IFIVVWUDXYUMOV-UHFFFAOYSA-N 406.548 4.531 0 40 HJAB S=C(Nc1nc(Oc2ccccc2)cc(N2CCCCC2)n1)NC1CCCCC1 226007998 USGFPWOPJBBZDK-UHFFFAOYSA-N 411.575 4.878 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2cc(C)ccc2-c2ccc(C(=O)O)o2)cc1 226355015 OYSIRVOEZWBCPP-UHFFFAOYSA-N 408.479 4.642 0 40 HJAB O=C(NC[C@@H](c1ccco1)N1CCSCC1)C1(c2ccc(Cl)cc2)CCCC1 244969040 GVOWUEGOFKGQQJ-IBGZPJMESA-N 418.990 4.651 0 40 HJAB CCOc1c(Cl)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1OC 260786411 WWVRPNXBGKDWQG-OCBCSQNSSA-N 403.935 4.732 0 40 HJAB COc1ccc(Br)c2c1-c1nc(NC(=O)c3cccs3)sc1C2 409051532 DUIVTDZXBKOAAG-UHFFFAOYSA-N 407.314 4.799 0 40 HJAB O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1ccc(Cl)cc1Cl 409151779 DCGRBIUSEDCFSW-UHFFFAOYSA-N 410.282 4.730 0 40 HJAB Cc1nc(-c2cccc(NC(=O)N3CC=C(c4c(C)[nH]c5ccccc45)CC3)c2)n[nH]1 503358014 GWSOZCPQYPFJJG-UHFFFAOYSA-N 412.497 4.891 0 40 HJAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc3ccccc23)c1 1096059 IIUSHDUNFAKDLW-UHFFFAOYSA-N 411.914 4.969 0 40 HJAB CCOc1cc(NC(=O)C2CCCCC2)c(OCC)cc1NC(=O)c1ccco1 1223643 HKSLEYLCENARKK-UHFFFAOYSA-N 400.475 4.848 0 40 HJAB COc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2ccc(C)cc2[nH]c1=O 1352803 CQDOXMKHVKNYFT-UHFFFAOYSA-N 417.465 4.672 0 40 HJAB Cc1ccc(NC(=O)c2cccn(Cc3cccc(C(F)(F)F)c3)c2=O)c(C)c1 1400224 QVQHXUKNJQBOID-UHFFFAOYSA-N 400.400 4.785 0 40 HJAB COc1ccc(-c2cc(NC=O)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 1405045 MUVUOMYHYTZRCG-UHFFFAOYSA-N 410.886 4.893 0 40 HJAB COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N3CCCCCC3)n2)cc1 1409661 PGDTUADEYCAOGV-UHFFFAOYSA-N 420.517 4.756 0 40 HJAB CCCC(=O)Oc1c(Br)cc(Br)cc1Br 1597234 STISNCCYWWVFME-UHFFFAOYSA-N 400.892 4.680 0 40 HJAB CN(C)CCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 1821519 QZMQHECZAVSPFJ-UHFFFAOYSA-N 403.555 4.759 0 40 HJAB COc1ccc(C(=O)c2cn(Cc3ccccc3F)c3ccc(C)cc3c2=O)cc1 2691847 JMFFYXPODBPAAM-UHFFFAOYSA-N 401.437 4.737 0 40 HJAB Cc1ccc2c(c1)C1=C([C@H](c3cccc(F)c3)O2)[C@H](c2cccs2)N2NC=NC2=N1 2707293 XHSCQTGZVIVAEB-VXKWHMMOSA-N 416.481 5.000 0 40 HJAB COC(=O)c1ccccc1SCCC(=O)NCCSc1ccc(Cl)cc1 3104377 HYVNHQIBXSIAEP-UHFFFAOYSA-N 409.960 4.517 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NCCC1=CCCCC1 3433118 XDYWQNZXZUEBCA-UHFFFAOYSA-N 422.554 4.685 0 40 HJAB CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccccc1F 3506842 DZSMSBJFUGKBAI-INIZCTEOSA-N 412.534 4.710 0 40 HJAB CCCOc1ccc([C@@H](CC(=O)O)NC(=O)C(c2ccccc2)c2ccccc2)cc1 3624340 WQBRCBDDAXIWCS-HSZRJFAPSA-N 417.505 4.940 0 40 HJAB C[C@@H]1CCC[C@H](NC(=O)CCC(=O)Nc2ccc(OCCc3ccccc3)cc2)[C@@H]1C 4672829 FJGYJYVPOMIGPN-REHUZNOOSA-N 422.569 4.968 0 40 HJAB COc1cc(NC(=O)COc2cc(C)cc(C)c2)ccc1NC(=O)c1cccs1 5015994 LYGPMMRKMJYCRZ-UHFFFAOYSA-N 410.495 4.643 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)c3c(C)[nH]c4ccccc34)o2)cc1OC 5019213 YNJRGCATXSOZET-UHFFFAOYSA-N 409.467 4.519 0 40 HJAB Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc(F)cc1 5100365 BCELYJPSGSQXGP-UHFFFAOYSA-N 412.424 4.652 0 40 HJAB Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2ccccc2)no1 5322885 NMIIRWXMWNQLMY-LJQANCHMSA-N 406.825 4.801 0 40 HJAB CCOC(=O)c1sc2nc(/C=C/c3ccc(Cl)cc3Cl)[nH]c(=O)c2c1C 5695991 KKPZSJCGSWFPTG-FNORWQNLSA-N 409.294 4.947 0 40 HJAB CC(C)c1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 5969161 HMWCXFCXCBAFFQ-UHFFFAOYSA-N 416.477 4.858 0 40 HJAB CCCCCCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2C)cc1 5978100 UIIWUPOVFQMSGE-UHFFFAOYSA-N 414.527 4.779 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2Cl)c1 6023995 HOWDSILPXZBKEP-UHFFFAOYSA-N 420.962 4.820 0 40 HJAB O=C(Nc1ccccc1N1CCCCC1)c1cccc(I)c1 6123029 FKHCHTSNEIPURN-UHFFFAOYSA-N 406.267 4.534 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)c1 6362220 OJWSMJQAWUQFCC-UHFFFAOYSA-N 408.523 4.676 0 40 HJAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(Br)ccc1OC(F)F 6402284 JXPPBJCRAPSWRR-UHFFFAOYSA-N 400.263 4.749 0 40 HJAB Cc1ccccc1NC(=O)Cc1nc(COC(=O)C23CC4CC(CC(C4)C2)C3)cs1 6560759 DTZYTUNJOBFQOZ-UHFFFAOYSA-N 424.566 4.892 0 40 HJAB C[C@@H](NC(=O)COC(=O)CCCSc1nc2ccccc2s1)c1ccccc1 6625871 WSYWTQKRKGOCJJ-OAHLLOKOSA-N 414.552 4.589 0 40 HJAB COc1ccc(Cc2nc3c4c(C)c(C)n(C5CCCCC5)c4ncn3n2)cc1OC 6760586 XMFTWEAZTZDNBP-UHFFFAOYSA-N 419.529 4.809 0 40 HJAB CC(=O)NCCc1ccc(-c2csc(NC(=O)c3ccc4ccccc4c3)n2)cc1 7037551 TZQJBXQPPIBBCK-UHFFFAOYSA-N 415.518 4.894 0 40 HJAB O=C1c2ccccc2N[C@@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)N1C1CC1 7886343 PPDAUDAXLQPQGR-RUZDIDTESA-N 421.504 4.722 0 40 HJAB C[C@@H](NC(=O)CNc1cc(Cl)ccc1N1CCOCC1)c1ccc2ccccc2c1 8156187 FJZOBUYVIZBVIX-QGZVFWFLSA-N 423.944 4.619 0 40 HJAB C[C@@H]1CCc2c(sc3ncn(CC(=O)Nc4ccccc4C(C)(C)C)c(=O)c23)C1 8192869 VCQNGBWFPSUCOD-CQSZACIVSA-N 409.555 4.519 0 40 HJAB CC(C)Cn1nc(C(=O)Nc2ccc(N3CCCCCC3)cc2)c2ccccc2c1=O 8341908 VOUCZAIDMCSRQS-UHFFFAOYSA-N 418.541 4.685 0 40 HJAB CCC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 8429792 SKMSPBWKWMXMFP-GOSISDBHSA-N 416.315 4.614 0 40 HJAB COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1 8657479 WIRRMAMZHREZRB-QFIPXVFZSA-N 412.445 4.563 0 40 HJAB O=C1OCC[C@@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 8861711 FOJWSOLJQDZBSY-INIZCTEOSA-N 420.321 4.708 0 40 HJAB C[C@H](c1ccccc1)n1c(S)nnc1Cn1c(-c2ccccn2)nc2ccccc21 8915011 AMXUEKXZHPBYEJ-MRXNPFEDSA-N 412.522 4.636 0 40 HJAB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cccc(Br)c1 9275131 LHWUEIPZTOUBEH-UHFFFAOYSA-N 423.064 4.514 0 40 HJAB C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc2c(c1)OCO2 9833883 XNWBXPDZCNHPBL-LLVKDONJSA-N 417.537 4.511 0 40 HJAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cc2cccc(OC)c2o1 9851590 LCKSNIRSJUMLTH-UHFFFAOYSA-N 422.510 4.759 0 40 HJAB CC(C)[C@H](NCCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 10139341 VSTBHRLZPBIDRX-QHCPKHFHSA-N 413.949 4.782 0 40 HJAB COc1ccc(OC)c([C@H]2CC(=O)c3c(C)cc4oc(=O)c5c(c4c3O2)CCCC5)c1 12296762 SIZNZQPZGBRDDU-HXUWFJFHSA-N 420.461 4.704 0 40 HJAB biogenic Cc1nc(-c2ccc(CNC(=O)c3cc(F)ccc3Br)cc2)cs1 12615270 QCVYOHZYKZVFPF-UHFFFAOYSA-N 405.292 4.950 0 40 HJAB Cc1ccccc1NC(=O)[C@H](C)Sc1ccccc1C(=O)OCC(=O)C(C)(C)C 12906425 CVMPUKHHJQLVDA-INIZCTEOSA-N 413.539 4.886 0 40 HJAB CN(CC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)C(=O)c1ccccc1 12949386 CCRCNCFCNRMUNS-UHFFFAOYSA-N 401.491 4.674 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c(C)c3)C2)c2ccccc12 12995588 DRPUDAQXKUFCML-IBGZPJMESA-N 416.521 4.956 0 40 HJAB O=C(Nc1ccc(Br)cc1)N1CCN(Cc2ccc(Cl)s2)CC1 13324924 FCDCTKZPYXTMST-UHFFFAOYSA-N 414.756 4.514 0 40 HJAB CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 14075534 ZQWLVHUKVHCYDE-OAHLLOKOSA-N 410.518 4.953 0 40 HJAB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4)ccc3O)nc2c1 17091075 SMWWUEFXRGWTJF-UHFFFAOYSA-N 417.490 4.890 0 40 HJAB Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)CCCn3nc(C)cc3C)C2)n1 19574063 OMLJLFVEVBVQFL-IBGZPJMESA-N 423.586 4.513 0 40 HJAB CC(C)C(=O)N1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(C(F)(F)F)cc1 19713764 MZPKRNBBBVEOJL-WIYYLYMNSA-N 410.480 4.624 0 40 HJAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCCCC3)no2)cc1 21805439 GPDQWNUHIOGZQE-QHCPKHFHSA-N 403.526 4.915 0 40 HJAB CC(C)c1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1 21882511 IJWZAQMCTAOLLX-UHFFFAOYSA-N 409.555 4.948 0 40 HJAB CCCCCC[C@@H](C)NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 26183815 JLSOVGRPZITCKD-CQSZACIVSA-N 420.907 4.944 0 40 HJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 32622715 HEQFDSDDOQIWIK-HNNXBMFYSA-N 403.413 4.949 0 40 HJAB O=C(CSc1nncc2c1[nH]c1ccc(F)cc12)N[C@H]1CCCc2ccccc21 32752903 ZIUVRQGQBJVDHT-SFHVURJKSA-N 406.486 4.536 0 40 HJAB CS(=O)(=O)c1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)ccc1Cl 32754780 DRZGLPVDDAVZIT-UHFFFAOYSA-N 400.887 4.739 0 40 HJAB O=C(NCc1ccccc1Cn1ccnc1)c1csc(-c2ccc(Cl)cc2)n1 32860073 CXWQMHPOEBUXPI-UHFFFAOYSA-N 408.914 4.638 0 40 HJAB O=C(COc1cccc(C(F)(F)F)c1)Oc1ccc(C(=O)c2ccccc2)cc1 33000692 NYQPELODZVHKEU-UHFFFAOYSA-N 400.352 4.921 0 40 HJAB COc1ccccc1-c1nc(-c2ccccc2OCC(=O)Nc2ccc(C)cc2)no1 33324969 XWBAWKJLXHLJLX-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(Br)s1 33606097 VYKVTARUEAAVKR-CIAFOILYSA-N 410.296 4.770 0 40 HJAB Cc1cc2nc(CSc3ccc(NC(=O)Nc4ccccc4C)cc3)cc(=O)n2o1 41089700 KRBJIXGVUONZGR-UHFFFAOYSA-N 420.494 4.841 0 40 HJAB COc1ccc(SCC(=O)Nc2ccc(Br)c(Cl)c2)cc1OC 44848752 GLKLNSUVQDKSFM-UHFFFAOYSA-N 416.724 4.851 0 40 HJAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCn2cccc2[C@H]1c1ccccc1 45249409 QDIDRCHIKDCOQK-RUZDIDTESA-N 404.558 4.522 0 40 HJAB Cc1cccc(COc2coc(CN3CCN(c4cccc(Cl)c4)CC3)cc2=O)c1 56949869 XTNREAAZEBGCCS-UHFFFAOYSA-N 424.928 4.503 0 40 HJAB CCc1ccc([C@H](NC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)C(C)C)cc1 58341187 KWKRGQHVONPTAD-IEBWSBKVSA-N 414.493 4.667 0 40 HJAB Cc1ccc(Cn2cnc3sc(-c4nc(-c5cccs5)no4)c(C)c3c2=O)cc1 67260375 ZLPLTJULCINZRT-UHFFFAOYSA-N 420.519 4.902 0 40 HJAB C[C@H](NC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1)c1ccc(F)cc1 67261716 WBXOWBAVKKXFOS-AWEZNQCLSA-N 421.863 4.613 0 40 HJAB O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CCN(Cc2nnc(C3CC3)o2)CC1 69877917 KFJHHVQCRHFVRO-NRFANRHFSA-N 423.561 4.636 0 40 HJAB Cc1nc2ccc(C(=O)N3CCCC[C@@H]3c3nc(-c4ccccc4)no3)cc2nc1C 71862780 MMYZFRHJJDVXGV-OAQYLSRUSA-N 413.481 4.664 0 40 HJAB NC(=O)c1sc2ccccc2c1[C@@H]1CCN(CCCCOCc2ccccc2)C1 72352257 SOCFPURKFSIQES-LJQANCHMSA-N 408.567 4.787 0 40 HJAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccccc2)C12CCCC2 96344402 ABUNHUPBGWDKIX-HSZRJFAPSA-N 404.554 4.698 0 40 HJAB COCc1ccc([C@@H]2CCCN2C(=O)c2cc3cc(Br)ccc3o2)o1 97147912 KZQRRCHFVFSDOQ-HNNXBMFYSA-N 404.260 4.912 0 40 HJAB Fc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCCO4)=NN21 106617377 NMQFIBJTBABNOV-HYBUGGRVSA-N 402.425 4.839 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccccc3C(=O)Nc3cc(Cl)ccc3C)C(=O)[C@H]12 206659878 WRNDAJBHJKNXMD-ITNCUTESSA-N 420.896 4.602 0 40 HJAB CCSc1ccccc1NC(=O)[C@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 216295886 JIWZQWDZQOINMZ-IBGZPJMESA-N 420.600 4.599 0 40 HJAB O=C(NCCCN1CCCc2ccccc21)c1cccc(OCc2ccccc2)c1 218980072 ONWWYTCUINRTLC-UHFFFAOYSA-N 400.522 4.838 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1Cc1cccnc1 223474274 JWEDYNKPXJFOJW-DHIUTWEWSA-N 412.518 4.909 0 40 HJAB Cc1cccc(CN(C(=O)CSc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 223792639 GWQIGUHSFDUBBO-IBGZPJMESA-N 410.583 4.563 0 40 HJAB Cc1nc(NC(=S)NCc2ccc(-c3ccccc3)o2)ccc1Br 223909030 QJTIFZYPNXJOPK-UHFFFAOYSA-N 402.317 4.899 0 40 HJAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(C(=O)N2CCCCC2)cc1 223996971 VISSFLBPNJMZJR-UHFFFAOYSA-N 420.937 4.977 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 224260694 QXYNIUUERBUEBG-XMMPIXPASA-N 408.586 4.995 0 40 HJAB CCCCOCc1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OC 224443454 FSYYVFMHFHBONL-UHFFFAOYSA-N 407.894 4.935 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)[nH]1 225035531 JADSDPAUJFZACN-YADHBBJMSA-N 405.571 4.501 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 225131654 KOOACGJMGTWDJW-QHCPKHFHSA-N 424.585 4.831 0 40 HJAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1Cl 225573201 HFINSGVFOOROMB-HNNXBMFYSA-N 421.896 4.580 0 40 HJAB C[C@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccc(Br)c(Cl)c2)C1 225729066 UIWUBQUGYFUGOV-BETUJISGSA-N 418.832 4.757 0 40 HJAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCC2)CC1 257218031 DBPMPNHYFDJBSI-UHFFFAOYSA-N 424.610 4.891 0 40 HJAB O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1Oc1ccccc1 257237164 HFKFOLYURYFVBJ-UHFFFAOYSA-N 421.396 4.616 0 40 HJAB COc1ccccc1CN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1OCCC[C@@H]12 257246360 ITTOUKQNZRRBGL-NZQKXSOJSA-N 409.526 4.599 0 40 HJAB CCC(CC)C(=O)N1CCC[C@](COc2ccccc2)(CC(=O)N2CCCCC2)C1 257290584 QDMVTGUYKJOZIQ-VWLOTQADSA-N 414.590 4.513 0 40 HJAB C[C@H]1CCCCN1c1ccc(NC(=O)COc2ccc(Br)cc2)cc1 408629370 ZPRPRGQKPIKTBZ-HNNXBMFYSA-N 403.320 4.845 0 40 HJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(C(=O)Oc3ccc(Cl)cc3)cc1)C2=O 408722158 PQTWDJSOLRWQPG-FDDCHVKYSA-N 411.885 4.875 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(COc2ccc3c(c2)CCCC3)o1 409005492 FECWRYNTIDSAPF-UHFFFAOYSA-N 409.511 4.567 0 40 HJAB Cn1ccnc1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1F 685519147 KYWIHFJDBHHFNU-YQVWRLOYSA-N 417.406 4.587 0 40 HJAB COc1ccc(-c2nc(-c3c(C)[nH]c(C)c3C)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547206384 SRVAWJLKKZOGRM-UHFFFAOYSA-N 405.454 4.640 0 40 HJAB biogenic O=C(NCc1nc(C(F)(F)F)n[nH]1)c1ccc(Sc2ccc(Cl)cc2)cc1 1639192413 HTXWJNRYLIOERP-UHFFFAOYSA-N 412.824 4.558 0 40 HJAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(CC(=O)N(CCO)C(C)C)ccc3O2)cc1 2037875265 NASCFJQNGBPSPG-SANMLTNESA-N 409.570 4.518 0 40 HJAB CC(C)(C)[C@H]1CC[C@H](N2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 2037949805 VRAMKYHBFBAASD-DRSNIGMVSA-N 413.961 4.526 0 40 HJAB O=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O 692407 NTCXNTGOQQOKCH-UHFFFAOYSA-N 419.440 4.802 0 40 HJAB O=C(/C=C/c1ccco1)Oc1ccc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1 982341 RBOJZLMNCHZAIX-VIOKTNGOSA-N 420.490 4.693 0 40 HJAB C/N=C1\S/C(=C\c2cn(CCOc3ccc(C)cc3)c3ccccc23)C(=O)N1C 1014115 WBPPNJFRWQGRBW-PZUCIDFCSA-N 405.523 4.561 0 40 HJAB Cc1nc2ccc(NC(=O)c3cccc(F)c3)cc2c(=O)n1Cc1ccc(Cl)cc1 1363157 OXLHGRYUJYGVNV-UHFFFAOYSA-N 421.859 4.798 0 40 HJAB CSCc1cc(N2CCOCC2)nc(SCc2ccc(Cl)cc2Cl)n1 1387644 JMXKOJOEWDSXCE-UHFFFAOYSA-N 416.399 4.775 0 40 HJAB Cc1cccc(C(=O)Nc2nc(-c3ccc(I)cc3)cs2)c1 1510686 KCSYWJKIYPTWFW-UHFFFAOYSA-N 420.275 4.975 0 40 HJAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1ccc(F)c(F)c1 2093609 IRDFNUJWZCFSPX-UHFFFAOYSA-N 407.372 4.756 0 40 HJAB biogenic O=C(NC1CCCC1)[C@H](c1ccccc1)N(Cc1ccccc1F)C(=O)c1ccco1 4240762 PIQOITXBNLLLPL-QHCPKHFHSA-N 420.484 4.861 0 40 HJAB COc1ccc(CCC(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)cc1 4305554 VCNLBNLWYJZMRZ-JOCHJYFZSA-N 406.551 4.610 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc2c(n1)[nH]c1c(C)ccc(C)c12 4954421 UPZBRSSRUKNBCM-UHFFFAOYSA-N 411.918 4.816 0 40 HJAB CCOc1ccc(-c2cs/c(=N\c3ccc(OC(F)F)cc3)n2CCCO)cc1 5243089 VNFDCCURVQJQCP-FLFQWRMESA-N 420.481 4.832 0 40 HJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C(=O)c2ccccc2)cc1 5507880 OQKLMDPTSTUSQQ-HNNXBMFYSA-N 409.869 4.986 0 40 HJAB O=C(Oc1cccc(C(=S)N2CCCCC2)c1)c1ccc(Br)cc1 5568936 PXRQHAHFLADXEF-UHFFFAOYSA-N 404.329 4.830 0 40 HJAB CC(C)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 6540838 BKKISIFUTNIYRS-UHFFFAOYSA-N 420.962 4.890 0 40 HJAB CCN(CC)C(=O)[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 6976305 RGYJUDZSTDLYNV-FQEVSTJZSA-N 406.555 4.847 0 40 HJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(CN2CCCC2=O)cc1 7124180 VHAVTLCPYZKMNZ-UHFFFAOYSA-N 400.478 4.640 0 40 HJAB COc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)ccc1C 7603227 YZGKOIPIDYYZOZ-YBEGLDIGSA-N 402.859 4.925 0 40 HJAB COc1cc(C)c(NC(=O)CSc2ccc(Br)cc2C)cc1OC 8316022 WCLRHBHSWVQOOT-UHFFFAOYSA-N 410.333 4.814 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 8480916 NFHWMGZLDGIKDX-UHFFFAOYSA-N 422.978 4.957 0 40 HJAB COc1cccc(-n2nc(C)c(CCC(=O)Nc3cccc4cccnc34)c2C)c1 8727046 RWROELMEDHGVOT-UHFFFAOYSA-N 400.482 4.617 0 40 HJAB CN(CC(=O)Nc1ccccc1Oc1ccccc1)Cc1cnn(-c2ccccc2)c1 8945400 FGPDDIWAAFFVAS-UHFFFAOYSA-N 412.493 4.735 0 40 HJAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2Cl)C[S@@](=O)C3)cc1 9413672 ZYJVKIQYUMDGDA-MHZLTWQESA-N 420.321 4.502 0 40 HJAB CC(C)[C@H](NC(=O)N(C)CCOc1ccccc1Cl)c1ccc2c(c1)OCCO2 9792141 DOUJSXCMDLNDMV-NRFANRHFSA-N 418.921 4.529 0 40 HJAB CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccc(OC)cc3)C[C@H]21 10215633 BZARBMCMBGGJRM-QPPBQGQZSA-N 401.466 4.731 0 40 HJAB O=C(CCc1ccc(-c2ccccc2)o1)O[C@H](C(=O)NC1CC1)c1ccc(F)cc1 10269150 MAXYPIWYKGESAI-QHCPKHFHSA-N 407.441 4.581 0 40 HJAB COc1cc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc(OC)c1 10511420 VPRHFPVDCFSCQC-UHFFFAOYSA-N 406.442 4.542 0 40 HJAB Cc1oc(-c2ccccc2)nc1COC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 10801151 HHNWSKKOPUXIHS-LJQANCHMSA-N 419.481 4.637 0 40 HJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cc(C)ccc2C)cc1 11115925 MZIHDMHFXOJRJE-VXKWHMMOSA-N 407.539 4.820 0 40 HJAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)Nc1cccc(OC(F)(F)F)c1 11865850 GHWSKBDJWQEOLG-MRXNPFEDSA-N 410.417 4.860 0 40 HJAB CCCOc1cc(Nc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)nc(C)n1 12225951 DLTUIWRYGLYKIR-UHFFFAOYSA-N 407.474 4.970 0 40 HJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(OC)c(Cl)c1)O[C@@H](C)C2 12555668 PQJFIFLOMCMIHW-STQMWFEESA-N 404.894 4.510 0 40 HJAB C[C@@H](SC1=Nc2ccccc2[C@@H]2CC=NN12)C(=O)Nc1ccc(F)c(F)c1F 12599042 ZLPVFGREDVACQK-BMIGLBTASA-N 404.417 4.598 0 40 HJAB C[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 12946122 PYWCDIVUJZQHNU-SELVFMLMSA-N 409.574 4.652 0 40 HJAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccco1 13685451 ZMDUNYAPCNUHKY-KRWDZBQOSA-N 414.461 4.769 0 40 HJAB CSc1nc(NC[C@H](C)O)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 13759199 IRHYIIODXLYOJB-LBPRGKRZSA-N 422.579 4.910 0 40 HJAB Cc1cc(Br)ccc1SCC(=O)Nc1ccc2c(c1)OCCCO2 14125759 PWYNWARNJYXPHK-UHFFFAOYSA-N 408.317 4.650 0 40 HJAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14400788 FBXYLGOQTZXFOV-MRXNPFEDSA-N 402.922 4.845 0 40 HJAB COc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1Br 16226726 XYPFCUKVECZYQY-UHFFFAOYSA-N 415.312 4.738 0 40 HJAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Br)c1 16751655 MKTUOVIULKVWFJ-SFHVURJKSA-N 412.283 4.901 0 40 HJAB C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(-n2ccnc2)cc1 18047678 FBYDNQJVBLRZDV-OAHLLOKOSA-N 401.491 4.984 0 40 HJAB COc1c(C(=O)Nc2cc(C(=O)O)ccc2C)cc2ccccc2c1Br 20139227 FSKJNVIVQZJWPN-UHFFFAOYSA-N 414.255 4.870 0 40 HJAB CCCCOc1ccc([C@@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)cc1OC 20633492 HRAXPZJSFBELRG-JOCHJYFZSA-N 421.497 4.686 0 40 HJAB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@@H]([C@H]2CC=CCC2)n2c1nc1ccccc12 20675959 PNIHONYEGOFQST-IOMROCGXSA-N 409.530 4.650 0 40 HJAB COc1ccc([C@H](CNCc2cc(=O)oc3c(C)c(C)ccc23)N2CCCCC2)cc1 22788448 RAOJKZNMLIVHPY-DEOSSOPVSA-N 420.553 4.735 0 40 HJAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN[C@H](C)c2cccs2)cc1 24985031 CLALINAOLFWYEJ-VGOFRKELSA-N 419.550 4.785 0 40 HJAB COc1ccccc1CNC(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27972102 QLJZLSZXJWVSCU-UHFFFAOYSA-N 413.477 4.525 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3cccc(C)c3C)cs2)cc1 27994957 BWEOBOBFYMRADK-KRWDZBQOSA-N 410.539 4.562 0 40 HJAB COc1cc([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)nsc32)cc2c1OCO2 35324560 OCVONZYWMKOUHI-CYBMUJFWSA-N 414.870 4.675 0 40 HJAB COc1cccc([C@@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)c1 36616729 GOEVKTOWOYPYHB-QGZVFWFLSA-N 414.509 4.596 0 40 HJAB C[C@@H](NC(=O)c1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 39546202 RJJHXLNMLKKLOQ-JPYJTQIMSA-N 423.557 4.569 0 40 HJAB CSc1ccc(CN(C)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 40103440 XJAFQHONZMSQAM-UHFFFAOYSA-N 405.951 4.562 0 40 HJAB O=C(NCCCc1ccccc1Cl)[C@H]1CCCN(Cc2ccccc2Cl)C1 44906211 OYXNKJDAHDWVSZ-IBGZPJMESA-N 405.369 4.954 0 40 HJAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2cccc(Cl)c2)CC1 58019937 DLKSBLKRMAGDKX-CQSZACIVSA-N 403.313 4.927 0 40 HJAB CN(C)Cc1ccc(CN(C)C(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 58280769 REWYGPJBSJWPCS-UHFFFAOYSA-N 415.748 4.746 0 40 HJAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2c(Cl)ccc3nsnc23)cc1 59294490 RSZOPOPRWGKCGF-UHFFFAOYSA-N 404.948 4.769 0 40 HJAB O=C(Nc1ccn(Cc2ccccn2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 60307997 UVMNOJVOSNGENX-UHFFFAOYSA-N 414.309 4.616 0 40 HJAB CCCC(=O)N1CCC(Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)CC1 72345064 JKARPWXLQDNCQE-UHFFFAOYSA-N 412.599 4.891 0 40 HJAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1cccc2[nH]ccc12 83984447 ASFYDGBPNZFEOI-UHFFFAOYSA-N 400.360 4.633 0 40 HJAB OC1=Nc2ncn(-c3cccc(Br)c3)c2[C@H](c2ccc(O)cc2)SC1 95474840 DJODHKHVOVHIBZ-KRWDZBQOSA-N 416.300 4.765 0 40 HJAB CC(C)=CC(=O)OC[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCCC(C)(C)[C@H]1C[C@@H]3O 96023599 HGXSLFHBGBEREA-DDUYGNKYSA-N 404.591 4.631 0 40 HJAB biogenic COc1ccc(-c2ncnc3c2c(C(=O)Nc2cccc(F)c2)c2ccccn23)cc1 96146689 OPDUHCSLXORFKO-UHFFFAOYSA-N 412.424 4.950 0 40 HJAB O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1Br 199753107 RTKSHBVEHQBJAU-UHFFFAOYSA-N 414.630 4.922 0 40 HJAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(Br)c1 199769623 WQWFHAFDKSNRSF-UHFFFAOYSA-N 414.630 4.922 0 40 HJAB Cc1ccc(N([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1Cl 220363903 MVHPUUOKUGRGED-INIZCTEOSA-N 422.978 4.873 0 40 HJAB CCCOc1cc2c(cc1[C@H]1[C@H](c3ccccn3)N=C3SC[C@@H](CC)N31)OCO2 222651118 XPSDZZPDCXJWHL-OREJSRFESA-N 411.527 4.579 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1Cc1ccco1 223331524 KAWGUNJNCRBCFQ-HOTGVXAUSA-N 420.357 4.671 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 223363885 DNNNMMXCJUCGJL-FQEVSTJZSA-N 421.368 4.706 0 40 HJAB CC[C@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 223421253 SCWAOPCRPQYLAV-INIZCTEOSA-N 404.532 4.571 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(C)cc1C 223929010 UENLFOJXSKNKOP-QHCPKHFHSA-N 422.550 4.985 0 40 HJAB CC[C@@H](NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1)c1ccc(C)cc1 224880697 RMJJJGMYGHVNFV-GOSISDBHSA-N 420.600 4.741 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 224974958 VYKNTRPYPWGXIO-IRXDYDNUSA-N 418.990 4.764 0 40 HJAB Cc1cccc(C2(CNC(=O)c3cc(Br)ccc3Cl)CCOCC2)c1 225076677 JFHUTWRXYOQKCX-UHFFFAOYSA-N 422.750 4.889 0 40 HJAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)Nc1cccc2ccccc12 225727646 PMSIJOWHQDLFCJ-UHFFFAOYSA-N 407.267 4.556 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(-n3cccc3)cc2Cl)CC1 226245559 MFBLRHMGOPJAPG-UHFFFAOYSA-N 400.309 4.747 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2Cl)c1 408544674 ILCUHBREDGKLGB-UHFFFAOYSA-N 408.951 4.534 0 40 HJAB CCc1nc(S/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)O)n[nH]1 408630477 AARRANAKWJLMKL-ODLFYWEKSA-N 422.485 4.727 0 40 HJAB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 408980464 RCTVIJCDUNKURE-JOCHJYFZSA-N 422.550 4.660 0 40 HJAB COCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C1=O 409125094 MMQBHMRXEJJSIR-LDADJPATSA-N 403.887 4.602 0 40 HJAB Cc1cccc(Oc2ccc(NC(=O)c3cc(F)ccc3N3CCOCC3)cn2)c1C 524531251 FECHUILSJBUKKU-UHFFFAOYSA-N 421.472 4.719 0 40 HJAB CC(C)(C)c1ccc(-n2nc3cc(Br)c(N)c(Br)c3n2)cc1 575414814 PSZXECFCHRNATL-UHFFFAOYSA-N 424.140 4.825 0 40 HJAB Cc1c(Cl)cccc1C(=O)N1CCC2(CC[C@H]2NC(=O)CCc2ccccc2)CC1 1614938124 RMUNQSPYGZVXLZ-JOCHJYFZSA-N 424.972 4.782 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C)c(C)c4)nc3c2)c(C)c1 707548 QZHAKYGRSWXGEP-UHFFFAOYSA-N 400.482 4.672 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1ccccc1Cl)N(C(=O)Cc1cccs1)C1CC1 1333760 KFUUHMXIHHVEGD-OAQYLSRUSA-N 416.974 4.735 0 40 HJAB Cc1ccc(CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 1342344 IDCJTFTZAVVHFW-UHFFFAOYSA-N 406.526 4.762 0 40 HJAB COc1ccc(-c2csc(-n3nc(-c4ccc(Cl)cc4)cc3NC=O)n2)cc1 1405130 WFORZBANEPNVHT-UHFFFAOYSA-N 410.886 4.893 0 40 HJAB CCOC(=O)c1c(NC(=O)CNCC(C)C)sc(Cl)c1-c1ccc(C)cc1 1465838 YHYYDRLHNFVVNW-UHFFFAOYSA-N 408.951 4.738 0 40 HJAB COc1ccc(C2=C(Cl)C(=O)N(c3ccc(C)cc3)C(=O)C2(Cl)Cl)cc1 1584229 JIPQALYGDPOPIR-UHFFFAOYSA-N 410.684 4.701 0 40 HJAB COc1ccc(-c2cc3ccccc3n2C[C@@H](O)CNCCc2ccccc2)cc1 1889548 WFTFFJMWIVAYKL-QHCPKHFHSA-N 400.522 4.510 0 40 HJAB CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(Cl)cc3)cc2oc1=O 2147630 PGZNSVBWEATYDU-UHFFFAOYSA-N 400.858 4.830 0 40 HJAB biogenic Cc1ccc(-c2c(NC(=O)c3ccc(F)cc3)n(-c3ccccc3)nc(C)c2=O)cc1 2235565 GESMXLSSFYASJJ-UHFFFAOYSA-N 413.452 4.908 0 40 HJAB Cc1ccc2c(c1)c(=O)c(Br)c(C)n2CC(=O)Nc1ccc(C)c(C)c1 2262808 RXTTXFBGIPFMKC-UHFFFAOYSA-N 413.315 4.636 0 40 HJAB O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)NCc1ccccc1 2635225 ISFDHPZKLGNHOP-UHFFFAOYSA-N 418.518 4.539 0 40 HJAB COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1-c1ccccc1 2644711 XNHDOWGWMRRBKT-OAHLLOKOSA-N 420.494 4.655 0 40 HJAB COC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CC[C@H](C)C2 2779960 AHRDTFVDKGZIPL-JTQLQIEISA-N 408.317 4.674 0 40 HJAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)OCc1c(Cl)cccc1Cl 3250111 FAQBSUPTJIGZTM-UHFFFAOYSA-N 407.702 4.554 0 40 HJAB O=C(OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1cc2c(s1)CCC2 3360341 VUFOIEDFMKFEET-UHFFFAOYSA-N 408.504 4.559 0 40 HJAB CC[C@@H](Sc1nc(C)c(Cc2ccc(O)cc2)[nH]1)C(=O)Nc1ccc(C(C)=O)cc1 4945540 NVIPXBLBOLZZOU-OAQYLSRUSA-N 423.538 4.727 0 40 HJAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 5240949 OGIUMNNFLBTOBN-UHFFFAOYSA-N 406.463 4.541 0 40 HJAB Cc1ccc2sc(N(Cc3ccccn3)C(=O)COc3ccccc3)nc2c1C 5265439 RRQLWLFUCCKOOO-UHFFFAOYSA-N 403.507 4.920 0 40 HJAB Cc1sc2nc(-c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)[nH]c(=O)c2c1C 5408934 LQUPDOKEKXDLRE-UHFFFAOYSA-N 400.843 4.880 0 40 HJAB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccc(OCc2ccccc2)cc1 5477764 HZKBAAWJGMMBIJ-NUKGXUILSA-N 410.517 4.903 0 40 HJAB O=c1[nH]c2ccccc2n1CCCSc1nnc(-c2ccco2)n1C1CCCCC1 6587622 SJAHTMVBYAGWCJ-UHFFFAOYSA-N 423.542 4.869 0 40 HJAB CC(C)COC(=O)N1CCC[C@@H]1C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 6616126 AMIXYLZPGBUXBW-OAQYLSRUSA-N 415.530 4.717 0 40 HJAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c(C)c1 6623502 JVEJQAGETZAHCO-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB Cc1c(-c2nc(-c3ccccc3Cl)no2)nnn1-c1cccc(C(F)(F)F)c1 7615907 ZHCBVFJNDKNZIS-UHFFFAOYSA-N 405.767 4.965 0 40 HJAB O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CC[C@H]2CCCC[C@@H]2C1 8193103 HHMQHUXMTGNACB-UYAOXDASSA-N 410.583 4.904 0 40 HJAB Cc1ccc(-c2cc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)on2)cc1 9481391 RHRNZNQSPFKKPS-GOSISDBHSA-N 423.900 4.794 0 40 HJAB CN(c1ccc(OCc2ncc(-c3ccccc3)o2)cc1)S(=O)(=O)c1ccccc1 9516880 MRULUDADOLZMJF-UHFFFAOYSA-N 420.490 4.746 0 40 HJAB CC(C)n1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cc2ccccc2o1 9595081 XEYDDMAWPJVXCS-UHFFFAOYSA-N 417.494 4.801 0 40 HJAB CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 10215830 RBODANZUSHIBEF-HXOBKFHXSA-N 404.422 4.649 0 40 HJAB Cc1ccc(C)c(OCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667251 OOGLKBQXCRLTDW-SFHVURJKSA-N 403.482 4.816 0 40 HJAB COc1cc(/C=C/c2ccncc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 11858539 KDCQOSPFGFDKOM-AATRIKPKSA-N 421.449 4.506 0 40 HJAB CCCC(=O)N1CCC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 12242083 KYOHNLHTNSMZQE-CYBMUJFWSA-N 422.476 4.983 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc2ccccc2c(=O)o1 12273893 SEMFINFOKYBIHA-UHFFFAOYSA-N 419.458 4.951 0 40 HJAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C/C(=O)N1C[C@@H](C)O[C@H](C)C1 12457457 JPHVKPVLZGWSJU-SJXIGLKTSA-N 422.356 4.504 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12774477 AODMUENIEFXUSV-HUUCEWRRSA-N 421.324 4.638 0 40 HJAB CC[C@H](C)c1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[nH]c3=O)n2)cc1 12785193 DSJOLLRNGCAYAV-ZDUSSCGKSA-N 410.543 4.595 0 40 HJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(C(F)(F)F)cc1 12878887 OARIBUGCYIPXBJ-UHFFFAOYSA-N 408.401 4.851 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc2c(s1)CC[C@H](C)C2 12902276 MELMQZJYZFEAKO-ZDUSSCGKSA-N 424.488 4.993 0 40 HJAB CCOc1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c(Cl)cc1OC(C)C 13914746 GBQZTMCQMBRFJQ-YVLHZVERSA-N 416.930 4.788 0 40 HJAB CCCc1cc(=O)[nH]c(S[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)n1 15587331 LPTOPWFVIQJPPE-OAQYLSRUSA-N 423.538 4.512 0 40 HJAB COc1ccc(Nc2nc(NC3CCCC3)nc3c2cnn3-c2ccccc2)cc1 16954246 MSJZQTDCDMDBJA-UHFFFAOYSA-N 400.486 4.922 0 40 HJAB O=C(NCc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1)[C@H]1C[C@@H]1c1ccccc1 17094053 GURVXEIOYUGWNL-POTDNYQPSA-N 424.544 4.526 0 40 HJAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)Cc3ccccc3Cl)CC2)C1 19019859 FLZYQPBQFVPESD-UHFFFAOYSA-N 412.961 4.894 0 40 HJAB CCCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1 19764831 PAVCMYUELOKFHC-GOSISDBHSA-N 400.910 4.544 0 40 HJAB C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(NC(=O)C2CC2)cc1 23103086 MKKOPPYYMGJAJC-HNNXBMFYSA-N 421.472 4.639 0 40 HJAB O=C(CCOc1ccccc1Cl)N[C@H]1CCCc2c1cnn2Cc1ccccc1 24934536 GBFMCYSCLXJGMA-FQEVSTJZSA-N 409.917 4.548 0 40 HJAB CCCSc1ncc(Br)c(C(=O)Nc2ccc(C)c(Cl)c2)n1 27795439 UFFOFBJJDXLOJY-UHFFFAOYSA-N 400.729 4.955 0 40 HJAB c1ccc(-n2c(SCc3noc(-c4cccs4)n3)nnc2N2CCCCC2)cc1 30514721 UTOMVMOQFYVRBV-UHFFFAOYSA-N 424.555 4.661 0 40 HJAB C[C@@H]1CN(C(=O)c2cc(-c3cccs3)nc3onc(-c4ccccc4)c23)C[C@@H](C)O1 36612969 BCGNMNACTKUHSJ-HUUCEWRRSA-N 419.506 4.868 0 40 HJAB O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1c1ccccc1 39778399 GHKDFAVPKIFJQB-DHIUTWEWSA-N 413.473 4.736 0 40 HJAB Cc1nn(C)c(C)c1CC(=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1 58979867 DXGAQVYGZFFVFN-UHFFFAOYSA-N 416.550 4.932 0 40 HJAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(OC)c2)cc1 67190050 DIIWNBLGWFACHU-LCUIJRPUSA-N 400.434 4.935 0 40 HJAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)c2ccccc2)n1 72354616 YLJLMOVEBKNQCJ-GOSISDBHSA-N 412.415 4.722 0 40 HJAB CN(C)c1cccc(C(=O)N2CCC[C@H]2c2ccnc(-c3cccc(Cl)c3)n2)c1 72355840 UPSKKCWBZQVSDZ-NRFANRHFSA-N 406.917 4.840 0 40 HJAB COc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NCC2CC2)c2ccccc23)cc1 96052675 SLZZWDNVAGFQER-QFIPXVFZSA-N 418.581 4.633 0 40 HJAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCC(=O)Nc3cccc4ccccc34)nnc12 100251739 CYLLYYISCWKXSS-WAIKUNEKSA-N 404.539 4.931 0 40 HJAB Cc1ccc(OCc2nc(C(=O)/N=c3\ccccn3Cc3ccccc3)cs2)cc1 104920006 KZTQTWJQPRQLHZ-XTCLZLMSSA-N 415.518 4.621 0 40 HJAB O=C(COc1cccc(C(F)(F)F)c1)N1CCS[C@H](c2cccs2)CC1 219526328 KNXUVCUKCVWVQC-INIZCTEOSA-N 401.475 4.853 0 40 HJAB CCC1(CC)C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2OC)c2ccccc2O1 222663700 FDUQNUOZGNCGCU-MRXNPFEDSA-N 409.935 4.710 0 40 HJAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CSCc1ccc(Cl)cc1Cl 222729818 HDTZJGNJXVKPQN-UHFFFAOYSA-N 422.337 4.935 0 40 HJAB Cc1ccc(CN(C(=O)Cc2c(F)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 222783386 GQTSNJLBOZTRLH-MRXNPFEDSA-N 418.940 4.662 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 223327840 SFEDLHCDSZKIKV-HXUWFJFHSA-N 421.368 4.706 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 224294883 LXJMQUPDZLKCGV-NRFANRHFSA-N 400.950 4.525 0 40 HJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSc1ccccc1 224642889 XJMDWRACSUITLA-LJQANCHMSA-N 410.583 4.645 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1NC(=O)C(C)C 225880911 YPZDTRKTKXNZBQ-UHFFFAOYSA-N 406.573 4.927 0 40 HJAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCCCN3CCCC3)c1O)OC2(C)C 257328039 XDVVJAYJHMGNLT-MISYRCLQSA-N 414.590 4.689 0 40 HJAB CCCCc1ccc(NS(=O)(=O)c2ccc(OCC)c(NC(=O)OCC)c2)cc1 408585059 BJIAVADUUADLPZ-UHFFFAOYSA-N 420.531 4.797 0 40 HJAB COc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)c3ccccc3F)n2)cc1 929157 QMEWWGQPJCUHKV-QGZVFWFLSA-N 412.486 4.784 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2cccc(C)c2C)sc2c1CCCCC2 1102608 QJXKZQDGCOEWKF-UHFFFAOYSA-N 401.528 4.828 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CC[C@@H](C)C2 1102683 DWUBPYHLAKAGSW-SECBINFHSA-N 412.305 4.657 0 40 HJAB CCCc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc34)ccc12 2093833 IGJPFIVXHVBTBW-UHFFFAOYSA-N 419.477 4.816 0 40 HJAB biogenic CCOC(=O)c1c(C)[nH]c(C(=O)c2oc3ccc(Br)cc3c2C)c1C 3256824 KELLAMPZRDMYFP-UHFFFAOYSA-N 404.260 4.856 0 40 HJAB CCCCNC(=S)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 4134134 HNJKDJSYZAGDJA-UHFFFAOYSA-N 413.612 4.883 0 40 HJAB COC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCN(C(C)C)C2 4223480 BVWFKIQTIABYMM-UHFFFAOYSA-N 414.571 4.851 0 40 HJAB CCCOC(=O)c1ccc(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1 4611836 IHPLVBXWWXVMEK-UHFFFAOYSA-N 415.486 4.702 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 5043617 BSYFURNMUXGBOZ-WPKBUWHJSA-N 416.403 4.728 0 40 HJAB Cc1nc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n(CC(C)C)c1C 5093804 DXAGSSPHJMJGDV-UHFFFAOYSA-N 400.592 4.877 0 40 HJAB COc1ccc(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC 5514305 MZQGHCPOYQOUEU-UHFFFAOYSA-N 409.869 4.769 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(C)c2)n2nc(C(F)(F)F)nc2N1 5938781 VGOKCLYNMBVIDJ-QGZVFWFLSA-N 413.403 4.533 0 40 HJAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N[C@@H](C)c1ccc(F)cc1 6549783 PQPLQQUUAPCSMH-GJZGRUSLSA-N 410.518 4.642 0 40 HJAB O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1cccc2ccccc12 7007853 URHKZLDKDWFOOH-UHFFFAOYSA-N 410.473 4.787 0 40 HJAB O=C([C@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccccc1)N1CCCCC1 7799904 RMOGZEHGCWJRRH-HXUWFJFHSA-N 419.554 4.521 0 40 HJAB O=C(Nc1ccnn1Cc1ccccc1)c1cccc(OCc2ccc(F)cc2)c1 7989289 CRFMYZMHOIOQTL-UHFFFAOYSA-N 401.441 4.902 0 40 HJAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnnn1C1CCCC1)c1ccccc1 8075189 NLPOBQWWCWPYLJ-OAQYLSRUSA-N 403.511 4.986 0 40 HJAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8278126 XPMNENQIUGQADC-UHFFFAOYSA-N 415.478 4.509 0 40 HJAB Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1Cl 8287978 RFIAXINGZRJVEU-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(NC3CCCCC3)s2)c1C 8735772 GFLOISZYUURFHR-AWEZNQCLSA-N 422.620 4.883 0 40 HJAB CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc21 8840945 CMAUANQSHOQANB-UHFFFAOYSA-N 412.964 4.528 0 40 HJAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cc(OC)cc(OC)c3)sc2c1 8903155 IHMQAWLSGUCHDU-UHFFFAOYSA-N 414.483 4.523 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc2c(c1)CCCC2 9193342 KMFRKMXUZJDBGC-UHFFFAOYSA-N 422.554 4.583 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(OC(C)C)cc3)c2)cc1 10364245 RRZOBIBTSFUNND-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB CC(C)(C)c1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 11999183 ZQDHCRAUAOQBLK-UHFFFAOYSA-N 420.962 4.820 0 40 HJAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(NC(=O)C2CC2)cc1 12625212 MZSSTHKNQDLKGF-UHFFFAOYSA-N 404.441 4.897 0 40 HJAB Cc1sc2nc(S[C@@H](C)C(=O)NC(C)(C)C)n(C3CCCC3)c(=O)c2c1C 12788005 SMGCQLNSQVBNKZ-ZDUSSCGKSA-N 407.605 4.585 0 40 HJAB COCCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1 12858777 SPWXWFZQQZWLQN-UHFFFAOYSA-N 424.570 4.620 0 40 HJAB CCc1ccc([C@H](NC(=O)C2CCN(C(=O)c3ccco3)CC2)c2cccs2)cc1 13008459 JZNMZPZEJQXLOO-QFIPXVFZSA-N 422.550 4.662 0 40 HJAB Cc1c(C(=O)NC[C@H](c2cccs2)N2CCOCC2)oc2c1ccc1ccccc12 14198453 JQHWLMBOBVQIMQ-HXUWFJFHSA-N 420.534 4.759 0 40 HJAB COc1ccccc1[C@H](C)NC(=O)COc1ccc2ccccc2c1Br 14275487 PRJKDXBNISNNCZ-AWEZNQCLSA-N 414.299 4.867 0 40 HJAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(Cc2cccc(C)n2)C1 19529146 QICLAFUWDZIEMD-RUZDIDTESA-N 419.594 4.689 0 40 HJAB Cc1nc([C@H]2CCCN2CCc2ccccc2)ncc1C(=O)Nc1ccc(F)cc1 19755514 WFFLOHGXVQWMJY-JOCHJYFZSA-N 404.489 4.556 0 40 HJAB Cc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc2c(c1)NC(=O)[C@@H](C)O2 19796604 MDRWDZQRBKYSEA-SNVBAGLBSA-N 413.886 4.744 0 40 HJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 20411047 GLULRQLYTPULRT-UHFFFAOYSA-N 411.870 4.976 0 40 HJAB Clc1ccc(COc2ccc3ccccc3c2CNc2nnn[nH]2)c(Cl)c1 22111606 OCWNSXNTIQGDDK-UHFFFAOYSA-N 400.269 4.851 0 40 HJAB O=C(O)c1ccc(-n2c(/C=C/c3cccc(Cl)c3)nc3ccccc3c2=O)cc1 23260514 BVVKVUQTQUGDFV-MDWZMJQESA-N 402.837 4.908 0 40 HJAB COc1c(Br)cc(F)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 23513637 CIZBOSKYNSYJNO-VIFPVBQESA-N 402.647 4.656 0 40 HJAB O=C(Nc1cccc(C(=O)Nc2cccc(Cn3cccn3)c2)c1)c1ccc(F)cc1 25134097 IWAWCXRSZCPABJ-UHFFFAOYSA-N 414.440 4.575 0 40 HJAB Cc1cc(C(=O)N(CCn2nc(C)cc2C)c2nc3c(C(C)C)cccc3s2)on1 36705526 QCJJPQSBWKVKPE-UHFFFAOYSA-N 423.542 4.876 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 44855396 QYTYYMPSURVJOR-JOCHJYFZSA-N 410.533 4.765 0 40 HJAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1Cl 44939893 FDRHFBMFDBOFRN-UHFFFAOYSA-N 418.896 4.507 0 40 HJAB O=C(Nc1ccccc1Cc1ccccc1)NC1CCN(C(=O)c2ccccc2)CC1 54008737 DOGKJLTVENFRSP-UHFFFAOYSA-N 413.521 4.704 0 40 HJAB O=C(O)c1cc(Cl)c(NC(=S)NC(=O)c2cccc3ccccc23)c(Cl)c1 59843124 JBXVJPUDAQDRAO-UHFFFAOYSA-N 419.289 4.972 0 40 HJAB COc1c(F)cc(NC(=O)NC2(c3cccc(Br)c3)CCC2)cc1F 63160653 KOLFIAOAVDACJF-UHFFFAOYSA-N 411.246 4.937 0 40 HJAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl 72010948 IDBAXQTVRPTRAX-JTQLQIEISA-N 415.704 4.755 0 40 HJAB O=C(Cc1ccccn1)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349503 FENKQQCPHUCUNZ-LJQANCHMSA-N 405.929 4.670 0 40 HJAB Cc1ccc(Nc2nccc([C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)nc1 72377541 YYKJXBHHRDODNJ-KRWDZBQOSA-N 407.905 4.597 0 40 HJAB Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCCC[C@H]3c3ncc[nH]3)c2c1C 79017503 GWUKVWWJVBBYTP-SFHVURJKSA-N 424.618 4.995 0 40 HJAB O=C(Nc1ccc(F)cc1)c1nnc(CN(C2CC2)[C@H]2CCc3ccccc32)s1 89858134 NEMYMRZSECLTDU-IBGZPJMESA-N 408.502 4.581 0 40 HJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@H]3C2=O)c1 95483670 GLTQFBFWISJYOZ-FSSWDIPSSA-N 418.880 4.700 0 40 HJAB C[C@@H](NC(=O)COC(=O)CSc1cc(Cl)ccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102149108 ULQGYGSMPQCGPV-UKTARXLSSA-N 416.370 4.570 0 40 HJAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)c1C 103718266 XPCFGINITOJSJK-ZDUSSCGKSA-N 410.823 4.967 0 40 HJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCCc2ccccc21 219355502 LKVVVKAJFROJKW-RUZDIDTESA-N 402.538 4.956 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSc1ccc(C)cc1 223086607 IJSDFYPRQAXZAB-ZWKOTPCHSA-N 416.562 4.558 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccccc1 223609417 SIFBDYRPZZCMED-QFIPXVFZSA-N 412.599 4.811 0 40 HJAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2sccc2C)cc1 223959179 IQKSEDAIABRJPM-RTBURBONSA-N 408.552 4.587 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 224277850 LDELLXOWLSIWTA-MRXNPFEDSA-N 421.368 4.725 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1)c1ccco1 224541093 HTWHNMNHBPPJNF-UHFFFAOYSA-N 411.266 4.640 0 40 HJAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(CN2CCCCCC2)cc1 224792741 RKNDNDXBBYGTCQ-UHFFFAOYSA-N 405.586 4.588 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)c1 225175635 FQLFVHHEHKIUPF-IBGZPJMESA-N 410.533 4.543 0 40 HJAB FC(F)(F)Oc1ccc(Nc2ncncc2-c2nc(-c3ccsc3)no2)cc1 225579577 KDWLFUDUYCZWIB-UHFFFAOYSA-N 405.361 4.897 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCCSCc2ccco2)cc1Cl 225594756 VHAGXCMHZYAUSV-UHFFFAOYSA-N 412.964 4.720 0 40 HJAB CCOC(=O)c1cc(NC(=S)NCCOc2ccccc2Cl)ccc1Cl 225780493 UFWMNCKHRPFFIE-UHFFFAOYSA-N 413.326 4.536 0 40 HJAB Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1N1CCCC[C@H]1C 226330395 FFAZJTSFTRCCKE-CQSZACIVSA-N 402.336 4.971 0 40 HJAB CCCCCC(=O)N1CCC[C@@](COc2ccccc2)(CC(=O)N2CCCCC2)C1 257338775 YYXVJHBCDFAMKT-RUZDIDTESA-N 414.590 4.657 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1Cc1ccncc1 260774994 OPVSSMMVOUAXGA-URZJWIJPSA-N 403.555 4.533 0 40 HJAB O=C(NC(=S)Nc1cccc(F)c1)c1cccc2c(Br)cccc12 408620352 IJLRALASWLDJDX-UHFFFAOYSA-N 403.276 4.868 0 40 HJAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)CC1=O 408645349 URNWFACEHXACOZ-INIZCTEOSA-N 404.432 4.822 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)c1 408736775 HPXIAAYKSBRGQJ-JOCHJYFZSA-N 407.514 4.717 0 40 HJAB Cc1cc2nc3s/c(=C\c4cc(C)n(Cc5ccccc5)c4C)c(=O)n3c2cc1C 409391462 IDTSXVYGHAVZLG-QRVIBDJDSA-N 413.546 4.540 0 40 HJAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1nc(-n2cccc2)sc1-c1ccccc1 524730739 VSNQKDJHZWTQGE-VQTJNVASSA-N 420.582 4.595 0 40 HJAB biogenic C[C@H](OC[C@H](O)CN[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc(Cl)cc1 538234569 SOSOMHAQINXBRQ-JRSMBCBASA-N 403.950 4.536 0 40 HJAB CCC(CC)C(=O)N1CC[C@H]2CC(=O)Nc3cc(C(C)C)ccc3OCC[C@H]2C1 1534646664 OBFRMRSEZDCZBP-PMACEKPBSA-N 400.563 4.822 0 40 HJAB COc1ccc(Cl)cc1NC(=O)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775978929 WCOAKWTUCZKJDN-QGZVFWFLSA-N 402.903 4.932 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCc1cccs1 781004 LBOGGCMZSVNHIG-UHFFFAOYSA-N 418.547 4.676 0 40 HJAB COC(=O)c1c(NC(=O)COc2cc(Cl)ccc2Cl)sc2c1CCCC2 844025 KMRUZEUNFIZMSF-UHFFFAOYSA-N 414.310 4.738 0 40 HJAB Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1-c1ccccc1 2211467 FYKKMQGKXVDSDN-UHFFFAOYSA-N 421.504 4.519 0 40 HJAB CC(C)(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2414549 QZFHWIGNZAQFCY-XMSQKQJNSA-N 417.505 4.815 0 40 HJAB CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2441622 FCVXSZSWVZBBFO-IIBYNOLFSA-N 421.518 4.548 0 40 HJAB C[C@@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2633537 HKVKOSKHGIQYNX-MRVPVSSYSA-N 407.175 4.591 0 40 HJAB O=C1CCCC[C@H]1Sc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 2639396 WANSGJRJCHNYJJ-LJQANCHMSA-N 424.591 4.793 0 40 HJAB O=C(COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)NCc1ccco1 3229212 RHSHWXOTJOPUGK-UHFFFAOYSA-N 415.898 4.699 0 40 HJAB CCN(CC(=O)NC(C)C)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 3449082 LSCFBSLMKSSQKY-UHFFFAOYSA-N 404.963 4.619 0 40 HJAB COc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2ccccc2)cc1OC 3489395 MHTJVTKKNSEWEU-SFHVURJKSA-N 411.527 4.613 0 40 HJAB O=c1cc(CN2CCc3ccccc3C2)occ1OCc1ccc(C(F)(F)F)cc1 4583978 GHLFBEYUYPWARW-UHFFFAOYSA-N 415.411 4.796 0 40 HJAB COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)CC2 5389182 KAYFORKSFLUEML-LBPRGKRZSA-N 409.313 4.568 0 40 HJAB C[C@@H](NC(=O)COc1ccccc1)c1nc2ccccc2n1Cc1ccccc1Cl 5545781 BZVAAUQALCZYEC-QGZVFWFLSA-N 419.912 4.994 0 40 HJAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl 5613801 KRGZJVSMHCRGJI-UHFFFAOYSA-N 406.187 4.737 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)[nH]2)cc1 6141925 CFKNMJHTGYVEQA-UHFFFAOYSA-N 409.298 4.518 0 40 HJAB COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)C(=O)Nc2ccc(C)cc2)n1 6463790 NDUJEUIOMSMAKE-GFCCVEGCSA-N 402.907 4.561 0 40 HJAB COc1cccc(NC(=O)[C@@H](Sc2nncn2-c2ccccc2)c2ccccc2)c1 6830395 FQURHCUBCOBPHC-NRFANRHFSA-N 416.506 4.748 0 40 HJAB O=C(COc1ccccc1Cl)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 6885777 CAWDYEMMVGDLHW-UHFFFAOYSA-N 413.264 4.745 0 40 HJAB CCOc1cc(C(=S)N2CCCC2)ccc1OCC(=O)Nc1ccccc1Cl 6960951 GYGZZVULCRRIMW-UHFFFAOYSA-N 418.946 4.528 0 40 HJAB CCc1cccc(C)c1N(C(=O)CSc1nc2c(C)cccc2[nH]1)[C@H](C)COC 7425268 JREQKNWZYURVSG-QGZVFWFLSA-N 411.571 4.902 0 40 HJAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)cc12 7986212 CDIQKZAPVOELIV-HNNXBMFYSA-N 407.543 4.739 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(N2CCCC2=O)cc1 8156219 FGXZZDZPKIFGPF-UHFFFAOYSA-N 403.916 4.904 0 40 HJAB CCOC(=O)c1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 9196700 HOLWFBYPNOIJEQ-UHFFFAOYSA-N 413.861 4.528 0 40 HJAB COc1ccc(Nc2c(-c3cc4cc(OC)ccc4[nH]c3=O)nc3ccccn23)cc1 9308506 YGKPLGWRHDSATD-UHFFFAOYSA-N 412.449 4.604 0 40 HJAB CC(C)[C@H](NC(=O)N(C)Cc1nc2ccccc2s1)c1ccc2c(c1)OCCO2 9792043 KOJBLUUAHUMJSD-NRFANRHFSA-N 411.527 4.606 0 40 HJAB Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1F 10433571 MGXIVNPYBVVZDN-UHFFFAOYSA-N 421.859 4.803 0 40 HJAB COc1ccc(NC(=O)C2(Cc3ccccc3-c3ccncc3)CCOCC2)cc1 12134097 FXUGLWLCMLFCJP-UHFFFAOYSA-N 402.494 4.735 0 40 HJAB O=C1CCC(C(=O)NC2CCN(C[C@@H](c3ccccc3)C3CCCCC3)CC2)CC1 12188829 HLGSVAFITHPFIK-VWLOTQADSA-N 410.602 4.690 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)C1(c2ccc(Br)cc2)CCCC1 12857192 DEXDNQNUVRLCDS-UHFFFAOYSA-N 402.288 4.671 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)c(C)c1 14004414 RQFACXHXYTYKKR-SFHVURJKSA-N 424.522 4.510 0 40 HJAB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 17088410 WFUIEAVIURIDES-UHFFFAOYSA-N 410.326 4.715 0 40 HJAB O=C(Cc1ccccc1)NC(=S)NCc1ccc(-c2nc3ccccc3s2)cc1 17091176 ASFDQWOTKXLUBP-UHFFFAOYSA-N 417.559 4.697 0 40 HJAB COc1c(F)c(F)c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c(F)c1F 17093829 SVYPZRUYJZWUMH-UHFFFAOYSA-N 424.375 4.818 0 40 HJAB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 18023815 XDFUWSLMORUIPV-VXNXHJTFSA-N 412.489 4.663 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3[C@@H](C)CCC[C@H]3C)ccc2C)cc1 18084356 FPYXHRIONRJIBX-HDICACEKSA-N 400.544 4.507 0 40 HJAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2ccccc2)C1 19591201 QCXXRYHEBKKIMY-VWLOTQADSA-N 418.562 4.626 0 40 HJAB Cc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc2c(c1)NC(=O)[C@H](C)O2 19796603 MDRWDZQRBKYSEA-JTQLQIEISA-N 413.886 4.744 0 40 HJAB Cc1cc(I)ccc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 20037872 FVZHVAJSBOCFPN-CQSZACIVSA-N 409.267 4.622 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)nnc2c1-c1ccccc1 20633817 VBGDRVIYJAURAX-UHFFFAOYSA-N 405.889 4.876 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cnc4ccccc4n3)cc2)cc1 21889980 CHTKNIOVWZBRKC-UHFFFAOYSA-N 412.449 4.533 0 40 HJAB C[C@H](NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 24830067 WKFBDPPDTIJBJV-MBSDFSHPSA-N 416.521 4.625 0 40 HJAB C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)N1CCOCC1 25329152 WJMIMXYRGJRXJX-IFXJQAMLSA-N 408.329 4.577 0 40 HJAB O=C(Nc1nc(-c2cccs2)cs1)C1CCN(C(=O)Nc2ccccc2)CC1 32981829 FXGJKJLYYOWYED-UHFFFAOYSA-N 412.540 4.754 0 40 HJAB O=C(CCn1ccc2cc(Br)ccc21)Nc1ccc2c(c1)OCCCO2 40312693 VPKGSWRPVAPTAT-UHFFFAOYSA-N 415.287 4.594 0 40 HJAB biogenic CCOC(=O)c1ccc2nc(NC(=O)c3c(C)oc4ccc(OC)cc34)sc2c1 46086658 OEJNAVUFKJPFJR-UHFFFAOYSA-N 410.451 4.789 0 40 HJAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N(CC(C)C)CC(F)(F)F)c12 58003921 ZKTAEPYSGQBPHM-UHFFFAOYSA-N 409.383 4.998 0 40 HJAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1cc(Cl)ccc1N1CCCCC1 58014249 PWSXXFWOKAKSBG-IBGZPJMESA-N 403.958 4.763 0 40 HJAB Cc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)CC2)c(C)c1 59415278 BAACTRYNXGXTDG-QHGPSCLWSA-N 422.613 4.740 0 40 HJAB biogenic Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2ccccc2Cl)c2ccccc21 72193879 HEWHQYBKYJMXGN-XMMPIXPASA-N 405.881 4.656 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1cccs1 72330402 MIDQHRPLLIVPRJ-GCJKJVERSA-N 409.530 4.666 0 40 HJAB Cc1ccccc1OCCC(=O)NCc1cccc(-c2n[nH]cc2-c2ccncc2)c1 72345001 MHDOCBMWLOPOBT-UHFFFAOYSA-N 412.493 4.532 0 40 HJAB COc1ccccc1/C=C/CN1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 72398588 MFADXOOQCKMLBA-RGLOFSQBSA-N 421.585 4.719 0 40 HJAB O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(Br)cc1F 96171259 DGDQTOUSCDEPLK-UHFFFAOYSA-N 416.165 4.547 0 40 HJAB Fc1ccc(Br)cc1[C@H]1C=C(c2ccc(Cl)cc2)Nc2ncnn21 102046727 IJXNCOBBJVXZCQ-MRXNPFEDSA-N 405.658 4.889 0 40 HJAB CCOC(=O)/C(=C\Nc1cccc(OCc2ccccc2)c1)NC(=O)c1ccccc1 104214750 ZSLCIIZWVBDBCU-HAVVHWLPSA-N 416.477 4.512 0 40 HJAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 216392959 FLGXOQUOQDFVRZ-LJQANCHMSA-N 416.521 4.628 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1 219468213 GNZPHPMCYBRDEB-UHFFFAOYSA-N 416.477 4.704 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 223641597 BSJYLTBFPDZBLY-XMMPIXPASA-N 408.586 4.878 0 40 HJAB O=C(NCCOCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 224538651 AUIILRUVISXXON-UHFFFAOYSA-N 421.368 4.538 0 40 HJAB Fc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225023032 UTVFYDYPBUXXHI-YADHBBJMSA-N 406.530 4.927 0 40 HJAB COc1ccccc1CC(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257306508 SUNGTANJFWJXOS-HXUWFJFHSA-N 410.901 4.834 0 40 HJAB O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)N1 408916937 JAZAEVZIBPKCJU-VCHYOVAHSA-N 413.260 4.906 0 40 HJAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C1=O 409241501 NZSRSNQWUVEILB-LDADJPATSA-N 414.889 4.620 0 40 HJAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)NC1CCC(c2ccc(F)cc2)CC1 542899980 HPZIJQGBGICTGV-UHFFFAOYSA-N 409.505 4.910 0 40 HJAB CCc1cc2c(N[C@H](CC)[C@H]3CN(Cc4ccccc4)CCO3)nc(C)nc2s1 1642390045 AABULIVWOUSRKP-NHCUHLMSSA-N 410.587 4.654 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)cc1 832555 USSHOYYRFUZOGX-UHFFFAOYSA-N 400.935 4.912 0 40 HJAB CC(=O)c1cccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@H](C)C4)c1 912310 BSFAPHJMFXHVDQ-LBPRGKRZSA-N 411.552 4.750 0 40 HJAB CCC(=O)Nc1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)cc1C 928946 CZPJNHUGJBOBKK-UHFFFAOYSA-N 414.556 4.696 0 40 HJAB COc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCC2)cc1 1224151 VYIBSEHBYKYCBH-UHFFFAOYSA-N 421.566 4.987 0 40 HJAB O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccccc1 2225078 GNSYQRMBBCJTQH-UHFFFAOYSA-N 405.504 4.796 0 40 HJAB COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(F)cc2)cc1 2232099 TVIDULQXFYMDEJ-JOCHJYFZSA-N 415.420 4.686 0 40 HJAB Cc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(O)cc2)cc1 2704528 XOJOQGZTECCHTQ-QFIPXVFZSA-N 415.420 4.692 0 40 HJAB O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc(Br)cc1 3284188 VZPRRSSVWYAOFH-UHFFFAOYSA-N 402.313 4.841 0 40 HJAB O=C(COC(=O)c1ccc(Br)cc1)Nc1ccccc1-c1ccccc1 3329396 IKSQRJAXZGFSTM-UHFFFAOYSA-N 410.267 4.912 0 40 HJAB COc1ccc(NC(=O)[C@@H](OC(=O)/C=C/c2ccco2)c2ccccc2)cc1Cl 3348792 CLAJFGFEANVVIL-ACUNGTFPSA-N 411.841 4.878 0 40 HJAB CCCCCC[C@H](NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 4092785 ZQGDYINMIMYNCY-OAQYLSRUSA-N 403.544 4.992 0 40 HJAB Cc1cc(NC(=O)c2sc3nc4c(cc3c2N)C[C@@H](c2ccccc2)CC4)no1 4575505 LXUNGLDTUZPLMV-AWEZNQCLSA-N 404.495 4.700 0 40 HJAB O=C(COc1cccc2ccccc12)Nc1ccc(C(=O)NCc2ccccc2)cc1 4666562 SEFDBVOBXKILFE-UHFFFAOYSA-N 410.473 4.787 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)n3ncnc3N2C(=O)C(C)(C)C)cc1 4732748 SGMNSAQZYXENFC-SFTDATJTSA-N 404.514 4.709 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)no2)cc1OC 4880921 IHDKBSOJDPSORJ-UHFFFAOYSA-N 408.332 4.510 0 40 HJAB CC[C@@H](OC(=O)c1cc2sccc2n1C(C)C)C(=O)NCc1ccc(OC)cc1 4967124 FYGQUSWHHPCOBW-LJQANCHMSA-N 414.527 4.544 0 40 HJAB CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)cc1 5215950 SJTCOKWNWJZCSY-NRFANRHFSA-N 414.486 4.968 0 40 HJAB COc1cc2c(cc1NC(=O)C1=NN(c3ccccc3)C(=O)CC1)oc1ccccc12 6049455 OJIHHBHXRXZMRJ-UHFFFAOYSA-N 413.433 4.716 0 40 HJAB CC(C)CCn1c(SCC(=O)c2ccc[nH]2)nc2sc3c(c2c1=O)CCCC3 6616026 WHUQOMCORORYEC-UHFFFAOYSA-N 415.584 4.686 0 40 HJAB O=C(NC1CCCCCC1)c1ccccc1SCC(=O)N1CCc2ccccc21 6639304 VZGWLCKUFIUJCX-UHFFFAOYSA-N 408.567 4.821 0 40 HJAB COc1ccccc1N(CC(=O)c1ccc(Br)cc1)C1=NCCCC1 7276430 YPTQYKYNDKVGBQ-UHFFFAOYSA-N 401.304 4.729 0 40 HJAB CCOc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1Cl 7389547 WBPRFKUSTJMBGH-UHFFFAOYSA-N 407.857 4.872 0 40 HJAB CCCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nc2ccccc2c1=O 7426062 LXUSDHFEPYVWNS-UHFFFAOYSA-N 412.902 4.802 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1OC 7799974 KJTMHUVMGPMOCF-ZRDIBKRKSA-N 408.479 4.682 0 40 HJAB C[C@@H]1Oc2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2NC1=O 8328726 SJYCXBMISCVPHV-HNNXBMFYSA-N 409.445 4.874 0 40 HJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(Br)cc2)c1 8587452 PVQYWARBHVSASH-CYBMUJFWSA-N 416.275 4.522 0 40 HJAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc21 8959446 ULDASUASHPBHGC-UHFFFAOYSA-N 406.404 4.729 0 40 HJAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1 8961451 XQIARDYSQWXUMZ-UHFFFAOYSA-N 422.506 4.741 0 40 HJAB Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccccc2)c1 9250134 ZCYFYFWUXRVNSP-UHFFFAOYSA-N 405.523 4.990 0 40 HJAB Cc1ccc(NC(=O)[C@@H](Sc2nnnn2Cc2cccs2)c2ccccc2)cc1 9711861 FFGMDZVGZIBKKE-IBGZPJMESA-N 421.551 4.563 0 40 HJAB CCc1ccc(N2C(=O)N(Cc3cccc(F)c3)c3ccccc3S2(=O)=O)cc1 10272669 TWVFPAUIUMGQCZ-UHFFFAOYSA-N 410.470 4.724 0 40 HJAB O=C(Nc1ccc(SC(F)F)cc1)[C@H]1CCCN1c1ncnc2ccccc12 11246715 GRJGXZPRAIFJGP-QGZVFWFLSA-N 400.454 4.552 0 40 HJAB CC(C)[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1ccc(C2CCCCC2)cc1 12870005 OEWRNDFKBNWQRK-RUZDIDTESA-N 417.553 4.958 0 40 HJAB O=C(c1cccc(CSc2ccc(Cl)cc2)c1)N1CCN(c2ccccn2)CC1 13062276 MSAVWHZDNWIJBG-UHFFFAOYSA-N 423.969 4.990 0 40 HJAB O=C(Nc1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2)c1ccco1 13127133 NEVMOMRLRQYLOS-MSOLQXFVSA-N 419.872 4.923 0 40 HJAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)c3ccccc3C)cc2)cc1 14552649 GDVCMZCLENVXIX-QGZVFWFLSA-N 404.466 4.662 0 40 HJAB Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)CC2CCCCC2)on1 19121783 PNNOOWOOGAEDHK-IBGZPJMESA-N 411.550 4.530 0 40 HJAB COC(C)(C)C(=O)N1CCC[C@@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 19688490 SSUWWVYPPNCQBO-LJQANCHMSA-N 406.448 4.780 0 40 HJAB CCN(C(=O)CC(C)C)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3ncccc3C)cc2)C1 19712664 XJWJKUIKDNWGCM-YADHBBJMSA-N 423.557 4.757 0 40 HJAB O=C(O)Cc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 20139825 OEWCFEQQNCUIAO-UHFFFAOYSA-N 400.228 4.589 0 40 HJAB Cc1cc(C)nc(Nc2nc3c4ccccc4nc(-c4ccc(Cl)cc4)n3n2)n1 20799770 POTZBELFLKRZMC-UHFFFAOYSA-N 401.861 4.748 0 40 HJAB CN1CCN(c2ccc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc2)CC1 23134449 XSVJPGFYYXUKMC-DEOSSOPVSA-N 417.578 4.911 0 40 HJAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC(=O)Nc2ccccc21 25001682 FYGQSMRZADJTAS-HNNXBMFYSA-N 405.420 4.616 0 40 HJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 25144425 UARVJLRWIFPMFV-GXTWGEPZSA-N 401.816 4.560 0 40 HJAB NC(=O)N[C@@H](CC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1 25985224 PJWGHRNNRSNCCK-IBGZPJMESA-N 409.873 4.871 0 40 HJAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cccc(COc2cccc(F)c2)c1 31397656 FWSIYGLMCYTIAG-OAQYLSRUSA-N 422.481 4.846 0 40 HJAB CC(=O)N(c1nc(Cn2cnc3sccc3c2=O)cs1)c1c(C)cc(C)cc1C 31641141 RFZAYTWQBLDIQN-UHFFFAOYSA-N 424.551 4.573 0 40 HJAB CCn1c(SCc2noc(-c3ccc(OC)cc3)n2)nnc1-c1ccccc1C 32754560 KYIUXYQZBLESDA-UHFFFAOYSA-N 407.499 4.624 0 40 HJAB COc1ccc(Cc2nc3ccccc3n2C[C@H](O)COc2cc(C)cc(C)c2)cc1 33025756 PDGGWSLKNGQIDS-NRFANRHFSA-N 416.521 4.692 0 40 HJAB Cc1ccc(CSc2nnc(CC(=O)Nc3ccc(Cl)c(Cl)c3)n2C)cc1 34688736 AXBNVKGWSTUVPE-UHFFFAOYSA-N 421.353 4.904 0 40 HJAB O=C(CCc1ccccc1)NC1CCN(Cc2csc(-c3cccs3)n2)CC1 40120480 BKAPGXVDMZJBIL-UHFFFAOYSA-N 411.596 4.585 0 40 HJAB COC(=O)c1ccc2c(O)nc(/C(Cl)=C/c3sc(Cl)nc3Cl)nc2c1 40154959 WPFAVOHEIVTTBP-YVMONPNESA-N 416.673 4.622 0 40 HJAB C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)c1ccccc1 46078935 DEUNMNRZWBSGTA-KRWDZBQOSA-N 402.469 4.910 0 40 HJAB Cc1ccc(C)c(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)CC2)c1 57380096 BTAFRJKTPSXZPM-XOWPYVIYSA-N 422.613 4.740 0 40 HJAB biogenic Cc1ccccc1Cn1cnc2sc(-c3nc(-c4cccs4)no3)c(C)c2c1=O 67260371 KXWHHUGJHOOXDF-UHFFFAOYSA-N 420.519 4.902 0 40 HJAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)[C@H]1CCCN(C(=O)C2CC2)C1 72059285 DXXZNXXWONPFAW-LBPRGKRZSA-N 424.353 4.704 0 40 HJAB COc1ccccc1NC(=O)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1 77200389 LUUNDJUCJKZMJW-IAGOWNOFSA-N 401.438 4.516 0 40 HJAB COc1ccc(Nc2cc(C)nc3c(C)cc(Br)c(N)c23)cc1OC 85397593 VVZNDUXSQUHHKX-UHFFFAOYSA-N 402.292 4.957 0 40 HJAB O[C@@H]1Cc2ccccc2[C@@H]1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 95933314 SUSUBFXIXQAEHC-CABCVRRESA-N 420.378 4.669 0 40 HJAB COc1ccccc1-c1nn(Cc2ccccc2)cc1CNc1cnc2[nH]nc(C)c2c1 95943681 ONGGOQQDBOXEOC-UHFFFAOYSA-N 424.508 4.799 0 40 HJAB Cc1ccc(NC(=O)c2ccnn2-c2ccc3ccc(-c4cccnc4)cn23)cc1F 96037993 JAPUYYLXEAQARS-UHFFFAOYSA-N 411.440 4.887 0 40 HJAB COC(=O)C[C@@H](c1ccccc1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96114088 AAAAWQOPBUPWEV-KRWDZBQOSA-N 416.429 4.566 0 40 HJAB biogenic O=C(Cc1cccc(Br)c1)O[C@@H](c1ccncc1)c1ccc(F)cc1 97212289 WFRIEHBHQMASLV-HXUWFJFHSA-N 400.247 4.859 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1 136693528 QYPHUBUICLJTIY-VHSSKADRSA-N 410.901 4.826 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=O)C1CCN(c3ccc(C)cc3)CC1)CC(C)(C)O2 219865067 LKQZPSDIUQVEGG-QFIPXVFZSA-N 408.542 4.639 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(C(=O)O)c3)N21 222708659 HAXKPWABYPLQIA-TYCQWZJGSA-N 418.522 4.550 0 40 HJAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cccc4ccccc34)s2)cc1 223761843 AEZFPPVUGUYMIH-AWEZNQCLSA-N 405.479 4.773 0 40 HJAB O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1ccc(Cc2ccncc2)cc1 224178530 XMFNKDDAXMRCSG-UHFFFAOYSA-N 407.322 4.921 0 40 HJAB COc1ccc(CCNC(=O)c2ccc(OC)c(COc3ccc(C)c(C)c3)c2)cc1 224286777 QRGYWXLFMTXPKJ-UHFFFAOYSA-N 419.521 4.872 0 40 HJAB CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Br)cc1 224729595 QEDHZPGYWHGHHG-UHFFFAOYSA-N 409.132 4.971 0 40 HJAB Cc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224734750 INKXGWIUZHKNJM-NRFANRHFSA-N 406.570 4.794 0 40 HJAB S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(C2CCSCC2)CC1 225216332 PPCIUDJWRRIODS-UHFFFAOYSA-N 413.612 4.689 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 225575182 YBIUSEJAJIKAHO-QPPBQGQZSA-N 408.586 4.876 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 225640550 DYEBYIMSANZYCX-IIBYNOLFSA-N 418.940 4.744 0 40 HJAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O 408641594 KOMXSURBOVFWBX-ZDUSSCGKSA-N 421.722 4.657 0 40 HJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OC)c(Br)c3)S2)cc1 408771261 DZDYEZLDOPAKKC-DPWKNNTCSA-N 419.344 4.620 0 40 HJAB CCOc1cc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)ccc1OC 408802019 XYBWDJIOMRKQOU-UHFFFAOYSA-N 403.911 4.819 0 40 HJAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]21)c1ccccc1 409369838 ZTBFHHZKEXZHAD-IMAQQZIHSA-N 420.306 4.844 0 40 HJAB CCCN(CCOc1ccccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 507649645 TUGBDVLBQQWTCK-UHFFFAOYSA-N 400.950 4.736 0 40 HJAB Cc1sc(NC(=O)CN2CCC[C@@H]2c2ccccn2)nc1-c1ccc(Cl)cc1 532651269 MTYZKONMXNQKLJ-GOSISDBHSA-N 412.946 4.943 0 40 HJAB O=C(c1ccccc1)N1CCC2(CC1)Cc1ccccc1CN(Cc1ccccc1)C2=O 1565551397 DPWTYYLFKLUPAL-UHFFFAOYSA-N 424.544 4.694 0 40 HJAB CN(Cc1cc(C[C@@H]2C[C@H](NC(=O)c3cccc(F)c3)C2(C)C)no1)c1ccccc1 1772594430 MABWJYUBISTECS-JPYJTQIMSA-N 421.516 4.837 0 40 HJAB CCCCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c3c(c12)O[C@@H](C(C)(C)O)C3 2332242417 PPKVUTQGUUIOPB-QGZVFWFLSA-N 416.514 4.535 0 40 HJAB Cc1nc(-c2ccc(Cl)cc2)sc1CNS(=O)(=O)c1ccccc1Cl 1390489 IQKFSVNXIOQCFP-UHFFFAOYSA-N 413.351 4.904 0 40 HJAB CCCCCNC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 2312038 HWEMIQYKEKHGEC-UHFFFAOYSA-N 401.514 4.693 0 40 HJAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(Cl)cc2)cc1 2366086 SMTFLSFJKNZZPY-UHFFFAOYSA-N 406.869 4.805 0 40 HJAB Brc1ccccc1OCc1ccc(-c2nc3c4ccccc4ncn3n2)o1 2806304 QJACVWBCUWIGOW-UHFFFAOYSA-N 421.254 4.879 0 40 HJAB CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1 3252581 DQRIQAPZQQHYBE-UHFFFAOYSA-N 402.299 4.835 0 40 HJAB O=C(OCc1c(Cl)cccc1Cl)c1ccc(I)cc1 3294086 SZBAXOCUOFCBKM-UHFFFAOYSA-N 407.034 4.955 0 40 HJAB Cc1ccccc1NC(=O)C(=Cc1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1C 3308748 DHMMTAZAWKUGIL-UHFFFAOYSA-N 414.461 4.662 0 40 HJAB O=C(Nc1ccc(F)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 3644870 UVBMXNYNUASZPX-DEOSSOPVSA-N 420.509 4.895 0 40 HJAB O=C(CCOc1ccccc1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 4273256 HUZXHYJUDMLLDY-UHFFFAOYSA-N 407.470 4.833 0 40 HJAB COC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CC(C)(C)NC2(C)C 4275288 MJFQYPQXVYIRQZ-UHFFFAOYSA-N 412.964 4.661 0 40 HJAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 4614483 WCKFQTUDRVHYPL-HOTGVXAUSA-N 413.495 4.506 0 40 HJAB CCOc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3cccc(Cl)c3)o2)cc1 5391810 KFDUUQHLBMVUHD-ZDUSSCGKSA-N 417.918 4.758 0 40 HJAB COc1ccc(C2=NN3[C@H](C2)c2cc(C)ccc2OC32CCN(C(C)C)CC2)cc1 5477545 ACQIPHVHLNEVMT-HSZRJFAPSA-N 405.542 4.748 0 40 HJAB COc1ccc(N(C(=O)c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 5795898 IBHXTECTGVJNBM-UHFFFAOYSA-N 415.898 4.693 0 40 HJAB Cc1ccc(O)c(-c2n[nH]c3c2[C@H](c2ccccc2F)N(Cc2ccco2)C3=O)c1 6753262 KCGNWMHNDRLLNS-QFIPXVFZSA-N 403.413 4.568 0 40 HJAB aggregator CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1sccc1C 7073575 VMDBPJHFMMUWEB-JZOCJUILSA-N 404.333 4.925 0 40 HJAB Cc1cc(NC(=O)CN(Cc2ccco2)Cc2ccco2)ccc1Br 7725775 QLSDVPCQZMJTTN-UHFFFAOYSA-N 403.276 4.584 0 40 HJAB Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)cc1 7917119 ZKNOMYGDRVMGCN-FQEVSTJZSA-N 403.507 4.518 0 40 HJAB C[C@H](NC(=O)CNc1ccccc1N1CCCC1=O)c1ccc(-c2ccccc2)cc1 8156754 RIMZONXXMXVUJW-IBGZPJMESA-N 413.521 4.770 0 40 HJAB O=C(COc1ccc(F)cc1Cl)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 9223838 ZVMQICJJRMVTGU-FQEVSTJZSA-N 423.875 4.834 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccccc3C)c3ncnn32)cc1 9288989 FUCBGPFTGLTKDZ-ZEQRLZLVSA-N 424.504 4.976 0 40 HJAB COCc1nn2c3c(cnc2c1-c1ccc(OC)cc1)C(=O)C[C@H](c1cccs1)C3 9290269 ZXSRYWMVULJJLJ-OAHLLOKOSA-N 419.506 4.526 0 40 HJAB C[C@@H]1CCc2sc(-c3nnc(SCc4nc5ccsc5c(=O)[nH]4)o3)cc2C1 9451503 JWAXSKKRTFZCGL-SECBINFHSA-N 416.553 4.513 0 40 HJAB O=C(COCc1nc2ccccc2s1)N1CCC[C@H]1c1nc2ccccc2s1 9512262 JTMVQJVWRFQEQJ-INIZCTEOSA-N 409.536 4.786 0 40 HJAB Cc1cc(C)cc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1 9529530 KJPRCIPTZILBGL-UHFFFAOYSA-N 422.554 4.552 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)cc1 9885419 NHPCDUKKNBQTDD-GFCCVEGCSA-N 417.332 4.662 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2C)cc1 10112480 QJOUDNHMWQTPFK-SFHVURJKSA-N 420.534 4.696 0 40 HJAB COc1ccc2nc(N(Cc3ccccc3)C(=O)COc3ccccc3)sc2c1 10187521 LQAHYJKWOXWBHA-UHFFFAOYSA-N 404.491 4.917 0 40 HJAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc2ccc3ccccc3c2s1 10218237 QZFLNYGOQCUSFY-UHFFFAOYSA-N 410.520 4.642 0 40 HJAB CCn1c(SCCC(=O)Nc2cc(C)on2)nnc1-c1ccc(C(C)(C)C)cc1 11811675 VXLQOFUHVUXTGZ-UHFFFAOYSA-N 413.547 4.680 0 40 HJAB COc1ccccc1OCC(=O)Nc1nc(CSCc2ccc(F)cc2)cs1 12230217 STLGRAIDULAFFV-UHFFFAOYSA-N 418.515 4.742 0 40 HJAB Cc1ccc(-n2nnc(C(=O)OCc3nc(-c4ccccc4C)oc3C)c2C)cc1 12415670 URSKYXRKTZSGEM-UHFFFAOYSA-N 402.454 4.513 0 40 HJAB COc1ccc2nc(-c3ccc(C)c(NC(=O)Cc4ccc(Cl)cc4)c3)cn2n1 12441180 DSWPGTJXKWMBSD-UHFFFAOYSA-N 406.873 4.548 0 40 HJAB Cc1cc(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(C)n1C[C@H]1CCCO1 12533397 PLBKICGTBFIHNH-OAHLLOKOSA-N 403.935 4.789 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)c(F)c3)C2)c2ccccc12 12747620 PRKXXRWUFLCLIO-QGZVFWFLSA-N 420.484 4.787 0 40 HJAB O=C(CCn1cnc2cc(Cl)ccc2c1=O)Nc1ccccc1-c1ccccc1 12778191 VAKJGKJIBUABLG-UHFFFAOYSA-N 403.869 4.746 0 40 HJAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)CC2 13576670 AFCDQFMNNKOSHS-STQMWFEESA-N 424.324 4.924 0 40 HJAB Cc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc(C)c1OC(F)F 15504081 VITBPLWWCAQDRO-OXQOHEQNSA-N 402.441 4.650 0 40 HJAB C/C(Nc1ccc(N2CCN(C)CC2)cc1)=C(/C#N)c1nc(-c2ccccc2)cs1 15517508 AYNYJNRDSPPTKS-RELWKKBWSA-N 415.566 4.929 0 40 HJAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C 16031301 DKFSENSUQISSIR-KPZWWZAWSA-N 417.502 4.563 0 40 HJAB biogenic COc1ccccc1-c1cc2c(SCC(=O)Nc3ccccc3Cl)nccn2n1 16842047 LTALAPGGBLYEEF-UHFFFAOYSA-N 424.913 4.789 0 40 HJAB CCn1c(C)cc(C(=O)COC(=O)c2cccc(OCc3csc(C)n3)c2)c1C 17737632 HZSCSGGBJRNHQU-UHFFFAOYSA-N 412.511 4.508 0 40 HJAB CC(=O)N[C@@H](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(F)cc1 19020024 BCUWZSGMVMRNGF-URXFXBBRSA-N 422.525 4.629 0 40 HJAB O=C(Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1)c1nn2cccnc2c1Cl 19404224 WXFSGSOEEDUWQZ-UHFFFAOYSA-N 423.826 4.644 0 40 HJAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(Br)c1 20029885 VKTLMDOWPCCNQM-SECBINFHSA-N 409.132 4.795 0 40 HJAB Cc1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1N1CCCC1=O 20040351 CXXHLADHIHGJSX-UHFFFAOYSA-N 422.506 4.715 0 40 HJAB FC(F)(F)c1nnc2ccc(NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)nn12 22194498 BVABQSKIUJXXGQ-INIZCTEOSA-N 422.414 4.868 0 40 HJAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3cc(C)nc4onc(C)c34)cc2)n1 23012680 FVKBVHHSCMFDJV-UHFFFAOYSA-N 405.483 4.650 0 40 HJAB COc1cccc(CNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 24352399 AQZFQHKJNHOVPU-UHFFFAOYSA-N 406.429 4.696 0 40 HJAB O=C(Nc1ccc(F)c(F)c1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 30757695 HPXIEODLBYYYGR-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB O=C(/C=C/c1cc2ccccc2[nH]c1=O)N(CCc1ccccc1)Cc1ccccc1 32752864 RMIJYCGNMIJNAL-FOCLMDBBSA-N 408.501 4.813 0 40 HJAB Cc1nn(C)cc1-c1cc(C(=O)NCC(C)(C)c2cccc(F)c2)c2ccccc2n1 35316611 CHDTXZBODHFAAD-UHFFFAOYSA-N 416.500 4.790 0 40 HJAB Cc1ccc(-n2nc3c(c2NC(=O)/C=C/c2ccc4c(c2)OCO4)CSC3)c(C)c1 36643818 MYZABUGXEZLSKN-VMPITWQZSA-N 419.506 4.617 0 40 HJAB Fc1cccc(-c2nc3c(s2)CN(Cc2cncn2Cc2ccccc2)CC3)c1 36752144 ZKIAQEUQFXKUIN-UHFFFAOYSA-N 404.514 4.752 0 40 HJAB CCOc1ccc(CCC(=O)NCCSCc2ccccc2F)cc1OCC 38757085 DRHDMSIIGBRLTM-UHFFFAOYSA-N 405.535 4.605 0 40 HJAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)cc1F 40079656 AGXMMDIALPGLMN-MSGBMKDASA-N 406.457 4.699 0 40 HJAB Cc1cc(C)cc(CS(=O)(=O)N(Cc2ccccc2)[C@@H](C)[C@H](O)c2ccccc2)c1 44563731 LCEOXQXOFGOCIC-OFVILXPXSA-N 423.578 4.758 0 40 HJAB CC(C)[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)N(C)c1ccccc1 48235011 QOAVQKADLCZASQ-HXUWFJFHSA-N 417.538 4.595 0 40 HJAB Cc1ccc(C)c(-c2nn(C[C@H](O)c3ccc(F)cc3F)c(=O)c3ccccc23)c1 51288660 NNSIAXLFGQXOPT-QFIPXVFZSA-N 406.432 4.692 0 40 HJAB CCCn1c(SCC(=O)Nc2ccc(C)cc2Cl)nc2ccsc2c1=O 57425192 TYKVBFCIOJZUJT-UHFFFAOYSA-N 407.948 4.561 0 40 HJAB Cc1sc2nc(CN3CCC(C)CC3)nc(NC[C@@H]3CCN(C(C)C)C3)c2c1C 58196675 FWPXIPGOHPKRIA-IBGZPJMESA-N 415.651 4.682 0 40 HJAB CC(C)[C@H](NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)c1nnc2ccccn12 72291357 DWIXZDSVXIHEKB-LIRRHRJNSA-N 404.436 4.755 0 40 HJAB COc1ccc(C)cc1CN1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 72330774 FFUFRNCBEZQEJL-XXBNENTESA-N 409.574 4.514 0 40 HJAB Cc1cccnc1Nc1nccc([C@@H]2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)n1 72377901 SWZSUNIUYAOPBH-GOSISDBHSA-N 421.932 4.526 0 40 HJAB CN(Cc1nc2ccccc2n1CCCCOc1ccccc1)C(=O)c1ccco1 82086492 YIBMLPFRCVAAHD-UHFFFAOYSA-N 403.482 4.761 0 40 HJAB O=C(NCC(O)(c1cccs1)c1cccs1)Nc1ccccc1C(F)(F)F 90617778 RRJBLIVNKQAMPY-UHFFFAOYSA-N 412.458 4.886 0 40 HJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccccc1C(C)(C)C 95482483 HGTUEFVKSRNODO-UHFFFAOYSA-N 413.905 4.725 0 40 HJAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)C1 100603603 RMIRJSKLQTXWMS-DWXRJYCRSA-N 418.537 4.643 0 40 HJAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)n1 100744002 XJSILZISCMTLFJ-HSALFYBXSA-N 408.546 4.803 0 40 HJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OC(=O)CCN5CCCC5)CC[C@@]43C)[C@@H]1CCC2=O 118920404 HKTXNASFTOEERZ-VZDBEYJMSA-N 413.602 4.916 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c(C)c1 216322709 CQTWBDQULUWPAN-LJQANCHMSA-N 422.550 4.904 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 222603499 JIONIVLLRSINJN-FQEVSTJZSA-N 421.368 4.868 0 40 HJAB C[C@H](C(=O)NCCC1=CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1 222760449 RFTWFOMAUZIMJP-OAQYLSRUSA-N 404.554 4.653 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NC12CC3CC(CC(C3)C1)C2 223417091 PDHPRJRGOLFRHZ-UUYOSTAYSA-N 420.578 4.912 0 40 HJAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(SC)cc2)c(Cl)c1Cl 223718885 DVNDBANHTJZAHJ-UHFFFAOYSA-N 406.356 4.545 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 224545376 NNZAGUFCXQYQDR-XMMPIXPASA-N 424.585 4.768 0 40 HJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 224676519 NHZUEOBDGPNABP-GOSISDBHSA-N 412.961 4.749 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 225423374 ZZFKTDDHICKBKZ-PMACEKPBSA-N 412.599 4.543 0 40 HJAB COC(=O)c1cccc(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)c1C 225499347 ZMLUKVOFLCBNEA-HXUWFJFHSA-N 400.544 4.864 0 40 HJAB CCO[C@@]1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225715315 DGVTZKMVEXOKIA-HSGJQSDISA-N 416.606 4.967 0 40 HJAB Cc1ccc(NC(=S)NCc2nc(-c3cccc(Br)c3)no2)c(C)c1 225824931 AMHOJCGSXGVPTF-UHFFFAOYSA-N 417.332 4.603 0 40 HJAB CC(C)NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCc3ccccc3C2)n1 225889324 BJYNEPKNLDWWBC-UHFFFAOYSA-N 419.554 4.526 0 40 HJAB COc1cccc(N(C)C(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c1 225910774 DXCWXHDLNRODRX-HNNXBMFYSA-N 407.341 4.877 0 40 HJAB Cc1cc(N)c(NC(=O)c2ccccc2Br)cc1N1CCC[C@@H](C)C1 226330144 HLWNLXGLGOXEHD-CYBMUJFWSA-N 402.336 4.828 0 40 HJAB Cc1csc(Nc2cncc(C3CCN(Cc4ccc5ncccc5c4)CC3)n2)n1 257202958 ANZVTSPOUVFCNB-UHFFFAOYSA-N 416.554 4.913 0 40 HJAB CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CC2)CC1 257204094 ATAKNRQADDGLJY-UHFFFAOYSA-N 410.583 4.503 0 40 HJAB Cc1cc(Nc2nccs2)cc([C@H]2CCN(C(=O)COc3c(C)cccc3C)C2)n1 257239547 HPURMOUZYUNYRC-SFHVURJKSA-N 422.554 4.602 0 40 HJAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)cc1 260790509 FRYSQZMRXLQJLR-MRXNPFEDSA-N 422.506 4.688 0 40 HJAB COc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2cccc(C)c2)n1 408696500 AHDURNDDADRIRK-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB CCCCSc1nc2ccc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2s1 408750538 OPYLPWAJLFPZPA-MWDDYTRKSA-N 402.541 4.650 0 40 HJAB CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)ccc2C)cc1 409086597 FMEVRKHZVKLLOL-UHFFFAOYSA-N 416.934 4.667 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(C(F)(F)F)c3)C2=O)cc1 409154092 JSHSSAORUSOARO-MHWRWJLKSA-N 420.412 4.689 0 40 HJAB C[C@@H](NC(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(Oc2cccnc2)cc1 562886924 VGJYFTGNTRVYSL-MRXNPFEDSA-N 414.440 4.961 0 40 HJAB COC(=O)c1c(NC(=O)COc2cc(C)c(Cl)c(C)c2)sc2c1CCCC2 729797 YMOPLZVRAPVTJD-UHFFFAOYSA-N 407.919 4.701 0 40 HJAB Cn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nnc1-c1ccco1 919738 YZPWCVWRNXIKDJ-UHFFFAOYSA-N 416.506 4.631 0 40 HJAB COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)cc1 924471 POXGCHQNFYHEIG-UHFFFAOYSA-N 423.542 4.585 0 40 HJAB S=c1sc2c(N3CCOCC3)nc(-c3ccccc3)nc2n1-c1ccccc1 1075714 UZZPXKAZNIFLQD-UHFFFAOYSA-N 406.536 4.715 0 40 HJAB Fc1ccc(-c2cc3nc4c(c(NCc5ccc6c(c5)OCO6)n3n2)CCCC4)cc1 1341449 DMJHIHLADJORFU-UHFFFAOYSA-N 416.456 4.755 0 40 HJAB COc1ccccc1CCC(=O)N(CC(C)C)c1nnc(-c2cccc(F)c2)s1 1345508 ZDSHKIOSGMXOBA-UHFFFAOYSA-N 413.518 4.975 0 40 HJAB O=C(Nc1cccc(Cl)c1)Nc1cc2c(cc1[C@@H](O)c1ccccc1)OCCO2 1443703 HSWFGWKFYADUPF-NRFANRHFSA-N 410.857 4.837 0 40 HJAB CCCSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4 2254660 BPBXYJGACXLWLR-UHFFFAOYSA-N 410.568 4.535 0 40 HJAB COC(=O)c1sc2nc(CNC3CCCCC3)nc(NC3CCCCC3)c2c1C 2661625 WYTJELHDZKNFCS-UHFFFAOYSA-N 416.591 4.953 0 40 HJAB O=C1CCCN1CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 2714826 DHFOMKSTLZUEPV-UHFFFAOYSA-N 411.509 4.512 0 40 HJAB O=C(COc1cccc2c1CCN(Cc1ccc(Cl)cc1)C2=O)Nc1ccccc1 2716456 GNLACIYRATXQPB-UHFFFAOYSA-N 420.896 4.556 0 40 HJAB CC(C)N(Cc1ccccc1)C(=O)COc1ncnc2sc3c(c12)CC[C@H](C)C3 3280240 PWAJMGBZFBIETJ-INIZCTEOSA-N 409.555 4.632 0 40 HJAB CC(C)(C)NC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 3337567 YSJISGWGEXFTCG-UHFFFAOYSA-N 409.511 4.725 0 40 HJAB CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC)c1ccccc1 3499025 LRXRTUMUTGFIPX-UHFFFAOYSA-N 400.935 4.764 0 40 HJAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 3627934 RETHIGOXQPQYEO-UHFFFAOYSA-N 406.463 4.514 0 40 HJAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CSC3)cc1OC 4176174 WHKPQNRKQDBMEZ-UHFFFAOYSA-N 409.511 4.505 0 40 HJAB CCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(C)cc3C)c3ccccc32)cc1 4600240 PGIKEPKMVRHAIQ-HHHXNRCGSA-N 413.517 4.873 0 40 HJAB CC[C@@]1(C)Cc2ccccc2C(c2nn(-c3ccc(C)cc3)[n+](-c3ccc(C)cc3)n2)=N1 4860775 OFODZNPZZDFYLZ-MHZLTWQESA-N 422.556 4.723 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc(Br)cc1 4985287 KSHRFMSNXRFOIP-UHFFFAOYSA-N 411.679 4.686 0 40 HJAB CC[C@H](C(=O)Nc1cc(-n2c(C)nc3ccccc3c2=O)ccc1F)c1ccccc1 5259092 GYJGYZLYUFOXGA-IBGZPJMESA-N 415.468 4.966 0 40 HJAB CC(C)CCN(CCC(C)C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 5497715 FYRKYYUBWYUKEB-UHFFFAOYSA-N 403.032 4.791 0 40 HJAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cc2ccccc2o1 6309822 APBFUKKYNKCHBW-UHFFFAOYSA-N 410.779 4.816 0 40 HJAB C[C@H](Sc1nccn1C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 6369949 RHCJUKFGWCRMBQ-SUMWQHHRSA-N 414.918 4.525 0 40 HJAB CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cc(C)cc(C)c1)S2 6812237 QKDJANPJJILPFJ-LEWJYISDSA-N 421.570 4.554 0 40 HJAB CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1nc2ccccc2s1 7245446 NQNMGWCLIRKTRB-UHFFFAOYSA-N 408.571 4.747 0 40 HJAB Cc1ccc2nc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)sc2c1 7424674 DLETWPXERJOAPT-SOFGYWHQSA-N 408.552 4.999 0 40 HJAB CSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 7881143 CZRXAMISGLDYPK-UHFFFAOYSA-N 418.584 4.534 0 40 HJAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N[C@@H]1CCCc2ccccc21 8230566 DZVBWVGVISLWPC-HRAATJIYSA-N 418.566 4.819 0 40 HJAB CCN1CCN(c2ccc(NC(=O)c3cc(C4CC4)nc4ccccc34)cc2)CC1 8231509 UTTMEOYPQRUNCT-UHFFFAOYSA-N 400.526 4.506 0 40 HJAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 8273419 WDDKVMUMVBGZGG-UHFFFAOYSA-N 405.542 4.943 0 40 HJAB CSCC[C@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)c1nc2ccccc2[nH]1 8345406 MANBWNSTKHJLJI-INIZCTEOSA-N 424.570 4.579 0 40 HJAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(Cl)ccc3OC)ccc21 8958888 PWYGMAWIZTYUCM-UHFFFAOYSA-N 416.905 4.763 0 40 HJAB CCc1nc(SCC(=O)Nc2ccc(OC)cc2OC)c2oc3ccccc3c2n1 9498452 LXSBNSKZGIHOGC-UHFFFAOYSA-N 423.494 4.686 0 40 HJAB CC(=O)N(c1nc(COC(=O)c2sc(C)nc2C)cs1)c1cccc(C)c1C 10142333 HGHINPUSOZYHND-UHFFFAOYSA-N 415.540 4.875 0 40 HJAB Cc1cc(N[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CCCC1=O 10186255 MSWWGICRPBECSR-ZDUSSCGKSA-N 406.313 4.868 0 40 HJAB COc1cccc(NC(=O)[C@H](OC(=O)[C@@H]2Cc3ccccc3S2)c2ccccc2)c1 10905115 ZDPUXFWVWUIISC-FCHUYYIVSA-N 419.502 4.635 0 40 HJAB Cc1ccc(N2C[C@@H](c3nc(-c4ccc(Br)cc4)no3)CC2=O)c(C)c1 12416005 SNONOARLOCGDOS-HNNXBMFYSA-N 412.287 4.636 0 40 HJAB O=C(Nc1ccccc1C(=O)NC[C@H](c1ccco1)N1CCCCC1)c1cccs1 12737109 RURQQKABXTUVCQ-LJQANCHMSA-N 423.538 4.550 0 40 HJAB O=C(Nc1ccccc1)C1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 15182279 OBTFEQFDOVVLQY-UHFFFAOYSA-N 402.947 4.700 0 40 HJAB O=C(c1cccc(C(F)(F)F)c1)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 19293301 FSIZILJDAORHCQ-SFHVURJKSA-N 400.404 4.858 0 40 HJAB O=C(c1cc(F)cc(F)c1)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 19376519 RJKZDFDNUOGUDB-UHFFFAOYSA-N 420.419 4.583 0 40 HJAB O=C(NCc1ccccc1)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 20522661 UFXRROGBNQKYAV-FQEVSTJZSA-N 418.884 4.979 0 40 HJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1cccc(C)c1 21580048 INOGTYYVDBIIMW-UHFFFAOYSA-N 416.506 4.674 0 40 HJAB O=C([C@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1ccccc1)N1CCCCC1 22090801 SBEAIZJCKCXWPI-HXUWFJFHSA-N 422.554 4.643 0 40 HJAB O=C(NC1CCCCCC1)C1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1 22491979 MMLBLGONUHIJMC-UHFFFAOYSA-N 412.965 4.852 0 40 HJAB O=C(COc1ccccc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21)N1CCCC1 26720841 NAPOFSSGNYMAHN-AREMUKBSSA-N 424.504 4.677 0 40 HJAB O=C(Nc1ccc(Br)cn1)c1ccc(COc2ccc(F)cc2F)o1 28231045 BWIQKLYOJJROCW-UHFFFAOYSA-N 409.186 4.547 0 40 HJAB COc1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1OC 28273162 JNJMDVHULXDAGR-UHFFFAOYSA-N 419.506 4.896 0 40 HJAB O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1cccc(Cl)c1)c1ccco1 32098249 UBGZQTADQJJIGB-UHFFFAOYSA-N 411.266 4.640 0 40 HJAB CCOc1ccc(-c2noc(Cc3nc(-c4ccc5c(c4)OCO5)cs3)n2)cc1 33298207 PNKJGDPZQWUDCI-UHFFFAOYSA-N 407.451 4.578 0 40 HJAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(F)c(F)c1F 35685001 UKMBBSQRNAKXAT-CQSZACIVSA-N 418.350 4.586 0 40 HJAB COc1cc(C(=O)Nc2cc(C)on2)cc(Br)c1OCc1ccccc1 39976706 WVRAJYBZFZZJDS-UHFFFAOYSA-N 417.259 4.585 0 40 HJAB Cc1ccc(N(Cc2ccco2)C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 40059549 GQWYHSUYKVDFTG-GOSISDBHSA-N 408.523 4.735 0 40 HJAB Cc1cc([C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)c(C)s1 40080820 TWQHTGBIUNKDGJ-HNAYVOBHSA-N 412.580 4.645 0 40 HJAB COc1ccccc1-c1nc(-c2ccccc2OCC(=O)Nc2ccccc2C)no1 40488351 JMMFKGRALNQBIM-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 44774942 ARGMKEIULVSZSO-IRXDYDNUSA-N 406.507 4.733 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2cc(Oc3cc(C)cc(C)c3)ncn2)cc1 57519712 CGSVNXSFRWTCOS-UHFFFAOYSA-N 407.495 4.819 0 40 HJAB O=C(Cn1ccc(=O)c2ccccc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 58366503 PRALHVILKWSKHL-UHFFFAOYSA-N 414.305 4.678 0 40 HJAB COc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 59268810 YEAXTZHAXCJSMO-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB CCOc1ccccc1/N=c1\oc2c(OC)cccc2cc1C(=O)Nc1ccccn1 67293478 NSTPVKQWOROMCT-LCUIJRPUSA-N 415.449 4.720 0 40 HJAB C[C@H](NC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1)c1ccc(F)cc1 67323954 JWAIHJRDEBLEDQ-KRWDZBQOSA-N 420.488 4.889 0 40 HJAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)c(Cl)c1 71980471 CQUYXUUYOXCIRX-WGAFOPHPSA-N 414.329 4.852 0 40 HJAB Cc1ccc(CC(Cc2ccc(C)cc2)N(C)C(=O)CCc2c(C)nn(C)c2C)cc1 72295410 BDJNDJOXYVGUOH-UHFFFAOYSA-N 417.597 4.899 0 40 HJAB O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 72330439 AHYXWHRDNZKYSF-OFVILXPXSA-N 409.549 4.871 0 40 HJAB CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C2CCC2)CC1 72345277 DARVTYJWBLLYKO-UHFFFAOYSA-N 424.610 4.891 0 40 HJAB C[C@@H](Cc1ccc2c(c1)OCO2)c1nc2cnccn2c1NCc1ccc(F)cc1 72389393 BSIYBNSICDHVGX-HNNXBMFYSA-N 404.445 4.555 0 40 HJAB Cc1ccc(OCc2nc3ccccc3n2C[C@H](O)COc2cc(C)ccc2C)cc1 82086805 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Cc1ccc(Nc2nc([C@H]3CCCN3C(=O)/C=C/c3csc(C)n3)cs2)nc1 585290345 AMYOKCBPRZYDNT-DBWMJRBXSA-N 411.556 4.732 0 40 HJAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)c3cc(F)ccc3F)CC2)cc(C)c1Cl 2037912499 MDBNEBIJQFYZDW-JOCHJYFZSA-N 423.887 4.671 0 40 HJAB COC(=O)c1c(NC(=O)c2ccccc2C)sc(C(=O)Nc2ccccc2C)c1C 778366 MPOYSBVGAJEBRU-UHFFFAOYSA-N 422.506 4.965 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc2c1CC[C@H](CC)C2 879533 TXCPEDRPCKQLIV-ZDUSSCGKSA-N 405.491 4.596 0 40 HJAB c1ccc2c(c1)CCCN2[C@H](c1ccc2ncccc2c1)c1nnnn1C1CCCC1 1337738 OUNLQOBJYHWINM-XMMPIXPASA-N 410.525 4.879 0 40 HJAB O=C(CSc1nc(COc2ccccc2)nc2ccccc12)NC1CCCCC1 1356054 ISGJTMBHHSSHRD-UHFFFAOYSA-N 407.539 4.750 0 40 HJAB Cc1cc(C)cc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)c1 1379961 XCZPQDXCVWOGCC-HSZRJFAPSA-N 417.509 4.738 0 40 HJAB COc1ccccc1[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1c1nc(C)c(C)s1 2258182 MVXYPLGTJSADJY-IBGZPJMESA-N 418.474 4.625 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)o2)cc1 2720288 IZQZCEIGLXWIOI-UHFFFAOYSA-N 408.508 4.899 0 40 HJAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 3234584 UOYLNQLXYSCVDE-UHFFFAOYSA-N 410.857 4.888 0 40 HJAB Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)sc2nc3n(c(=O)c12)CCC3 3435799 WOQWZOVLUYFODG-UHFFFAOYSA-N 417.490 4.757 0 40 HJAB CCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1cccc(Oc2cccc(C(F)(F)F)c2)c1 4107665 JWGRBTOHSQCPKQ-GOSISDBHSA-N 419.399 4.938 0 40 HJAB O=C(CCCc1c[nH]c2ccccc12)OCC(=O)c1ccc(Br)cc1 4113443 KTZDXGCFANOAHN-UHFFFAOYSA-N 400.272 4.679 0 40 HJAB biogenic CC[C@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccc(OC)cc2OC)s1 4174678 KITWPRJVIZQZAV-KRWDZBQOSA-N 415.540 4.732 0 40 HJAB O=c1c2cnn(-c3cccc(Cl)c3)c2ncn1Cc1ccc(Cl)cc1Cl 4479171 LXCXJDQUOZPSQF-UHFFFAOYSA-N 405.672 4.591 0 40 HJAB CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@H]5C[C@H]5[C@@]4(C)[C@@H]3CC[C@]21C 4535898 UWFYSQMTEOIJJG-OKLZYCOHSA-N 416.945 4.608 0 40 HJAB Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 5047467 CESBVKISJGINIC-UHFFFAOYSA-N 418.472 4.844 0 40 HJAB O=C(COC(=O)c1ccc2ccccc2c1)Nc1ccc(Br)cc1F 6460853 VVFQJQKWJRGDSY-UHFFFAOYSA-N 402.219 4.537 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(C(C)C)cc1 6650676 GHUYRYMCQJVYCE-UHFFFAOYSA-N 400.544 4.545 0 40 HJAB CCOc1ccc(C[C@@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)c(OCC)c1 6961789 SLVZTODDIFCBMP-SFHVURJKSA-N 405.903 4.949 0 40 HJAB Cc1cc(C)cc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)c1 6962972 BFDMXPGGHJLGDV-UHFFFAOYSA-N 413.521 4.518 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccccc1OCc1ccccc1 7784778 DBTVRECEEYSAEO-UHFFFAOYSA-N 408.885 4.596 0 40 HJAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccc(N(C)C)cc1 9515240 JZPBELSBPRBIOP-GFCCVEGCSA-N 420.460 4.834 0 40 HJAB Cc1ccc(C)c(-c2csc(NC(=O)CSc3nncn3-c3ccccc3)n2)c1 9670405 PLIGDONYFVRZHI-UHFFFAOYSA-N 421.551 4.738 0 40 HJAB CCc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(OC)c(OC)c2)CC3=O)cc1 9935767 SXFVDBFXDGASHT-KRWDZBQOSA-N 403.482 4.713 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2C)cc1 10060285 NJIPMGIWEREARI-ZEQRLZLVSA-N 424.504 4.976 0 40 HJAB Fc1ccc(-c2nnc(SCc3nc4ccccc4o3)n2C[C@@H]2CCCO2)cc1 10213510 SEKCVSMEQYMFQY-INIZCTEOSA-N 410.474 4.697 0 40 HJAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1OCC 10543979 RILULABPJXFIQE-GFCCVEGCSA-N 418.342 4.830 0 40 HJAB COc1cc(Cl)c(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)cc1OC 10592563 IPRPKTUJCNTXTL-UHFFFAOYSA-N 415.873 4.652 0 40 HJAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cc(Cl)ccc1OC 11694410 DFDGZAKWDCTEGR-UHFFFAOYSA-N 403.841 4.715 0 40 HJAB COc1cc(CNc2ncc(-c3ccsc3)c(-c3cccnc3)n2)cc(OC)c1 12222557 UDWUKYUAPCOYJJ-UHFFFAOYSA-N 404.495 4.896 0 40 HJAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13786500 ZYDQKCMGLCHIGY-HYBUGGRVSA-N 400.434 4.666 0 40 HJAB CC1(C)CC(N(Cc2ccncc2)Cc2cc3c(cc2Cl)OCO3)CC(C)(C)N1 13992707 FWSOEXOABSFWBP-UHFFFAOYSA-N 415.965 4.775 0 40 HJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 13994944 HWRGQCAPOOFDMX-HSZRJFAPSA-N 416.521 4.764 0 40 HJAB COCCOC(=O)c1c(C)n(CCc2ccccc2)c2c1cc(O)c1ccccc12 15081777 BMKMDSUSIYJNEM-UHFFFAOYSA-N 403.478 4.854 0 40 HJAB CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1OCC 16751078 BNKRYTDHDRBCEQ-QFIPXVFZSA-N 421.493 4.936 0 40 HJAB COc1cccc([C@H](NC(=O)c2cccc(Cn3ccnc3C)c2)c2ccccc2)c1 19288209 LEFDKSJCMNSGIS-RUZDIDTESA-N 411.505 4.768 0 40 HJAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 19400581 AHYXWHRDNZKYSF-PXDATVDWSA-N 409.549 4.871 0 40 HJAB CCCC(=O)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 19501304 UGBQHXZGMFJSCU-GOSISDBHSA-N 419.504 4.927 0 40 HJAB CCCO[C@H]1CCCN(C(=O)C2(Cc3ccccc3-c3cccnc3)CCOCC2)C1 19503766 RJQOCNROXVNCNL-QHCPKHFHSA-N 422.569 4.506 0 40 HJAB Cc1nn(-c2ccccn2)c2nc([C@H]3CCCN3Cc3cn(C)c4ccccc34)ccc12 19742442 VIOUIUHXGRQTQE-XMMPIXPASA-N 422.536 4.953 0 40 HJAB COCCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 26688310 LOFDAXDCZQIGGF-VHXPQNKSSA-N 419.506 4.941 0 40 HJAB O=C(Nc1nn(Cc2ccccc2F)cc1Br)[C@H]1C[C@@H]1c1ccccc1 28573825 MUONDZJKYJBIFF-CVEARBPZSA-N 414.278 4.575 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CCSCc1nc2ccccc2nc1C 32778716 UTFVHDYYJHINIV-UHFFFAOYSA-N 401.919 4.862 0 40 HJAB CN(C(=O)Cc1cccs1)C1(C(=O)Nc2ccccc2)C2CC3CC(C2)CC1C3 35170826 NIEZPQCDEVKLED-UHFFFAOYSA-N 408.567 4.583 0 40 HJAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 40025188 MYUFRZPVTIRAEU-UHFFFAOYSA-N 411.509 4.646 0 40 HJAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3nc(C)cs3)o2)c1 59179677 SEMISXUXSULGHN-UHFFFAOYSA-N 418.544 4.576 0 40 HJAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)cc4)nccn3n2)cc1 67290356 VOZSJYANQXJOTO-UHFFFAOYSA-N 422.485 4.665 0 40 HJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C)s2)C12CCCCC2 71282879 ZPVUNEROJIYEOK-KDOFPFPSSA-N 412.559 4.526 0 40 HJAB C[C@@](O)(CNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1)c1ccsc1 72306593 CXOIYULKIRRHLE-OAQYLSRUSA-N 418.465 4.731 0 40 HJAB COc1cc([C@H]2CC(O)=Nc3c2cnn3Cc2cccs2)ccc1OC(F)F 72403055 MCKFCZNXEFVARF-CYBMUJFWSA-N 405.426 4.727 0 40 HJAB Cc1cc(NCc2ccc(N3CCCC3)nc2)n(-c2cccc(C(F)(F)F)c2)n1 89595743 CBUWERYVNXPVQM-UHFFFAOYSA-N 401.436 4.807 0 40 HJAB O=C(C[C@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21)N1CCCC1 96053206 WCHFIPJZPSQRNP-IBGZPJMESA-N 410.583 4.662 0 40 HJAB COc1ccc(C2=NN3[C@H](c4cccc(OC)c4)Oc4ccc(OC)cc4[C@H]3C2)cc1 103177131 RNEDUQJGXFVNBB-NOZRDPDXSA-N 416.477 4.955 0 40 HJAB Cc1cc2oc(=O)cc(COC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)c2cc1Cl 104176216 VIENNOJGQWXQAS-KKQCZIFWSA-N 416.901 4.519 0 40 HJAB CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCN(C)C[C@H]2c2ccccc2)cs1 107530801 UYFWCWJCQVDDDO-QHCPKHFHSA-N 420.582 4.625 0 40 HJAB CCOC(=O)c1cccc(NC(=O)COc2ccc(CC)cc2Br)c1C 218865350 WPTIJOSJMJZBIM-UHFFFAOYSA-N 420.303 4.514 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)CCc2ccccc2)cc1 223132832 AYZDESUMCCISLA-IBZADVPGSA-N 418.562 4.965 0 40 HJAB COc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C)c2C)cc1C(C)C 223383409 JYHCPXFJXPEZHF-QGZVFWFLSA-N 405.560 4.792 0 40 HJAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)s2)cc1 224043133 LFVNEWYHMXDPOP-ZDUSSCGKSA-N 417.918 4.890 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224168678 QLTPFVKRIQRRMM-NRFANRHFSA-N 408.586 4.680 0 40 HJAB CCOCc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1OCC 224699189 YSZSNOFFWKUFSP-UHFFFAOYSA-N 416.949 4.546 0 40 HJAB O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 244986069 JDZRNTDZUOHBAP-OAQYLSRUSA-N 422.484 4.759 0 40 HJAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1c(F)cccc1F 257335662 YLHQSSVPYKZPQI-JOCHJYFZSA-N 424.495 4.687 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(Br)ccc3OC)N21 260752985 AMINKMHMRLYVKD-XWIAVFTESA-N 418.360 4.832 0 40 HJAB CCCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OC)c2)CCC[C@H](C)C1 260842827 XQDUDQGJJARYDS-HKARXFIJSA-N 405.535 4.965 0 40 HJAB Cc1cc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)ccc1NC(=O)c1ccccc1 408613211 ZSGKUICDWVZTPD-IBGZPJMESA-N 422.550 4.547 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 408642054 NKLAZRGVTVEWLA-CYBMUJFWSA-N 421.722 4.657 0 40 HJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3Cl)[C@](O)(C(F)(F)F)[C@@H]2C1 409099843 ULEYWXZFJATTEP-AEDCBLDQSA-N 402.844 4.865 0 40 HJAB O=C(CSCc1ccccc1Cl)N1N=C2CCCCC[C@@H]2[C@]1(O)C(F)(F)F 409178218 JVGHQJMRBYGAPW-GUYCJALGSA-N 420.884 4.603 0 40 HJAB Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCC(c3ccc(O)cc3)CC1)O2 1137344567 SONHUXPLQXCCRV-VWLOTQADSA-N 409.526 4.513 0 40 HJAB CC(C)[C@@H](CNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C 1525643999 HWIPDTNXZGWVLK-CYBMUJFWSA-N 401.420 4.597 0 40 HJAB CN(CC1CCN(C(=O)Nc2ccccc2F)CC1)c1cc(C(F)(F)F)ccn1 1888888266 HBPWODODWNZOPY-UHFFFAOYSA-N 410.415 4.620 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c1C 856417 ITEAVVRQDMLLTG-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB O=c1c2c(n3cnnc3n1CCc1ccccc1)-c1ccccc1CC21CCCCC1 856853 GNLACNKMWHVCDO-UHFFFAOYSA-N 410.521 4.559 0 40 HJAB Cc1cc(C)c2cc(CN(C(=S)NCc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 874976 AEIVCRSEXJLXRH-UHFFFAOYSA-N 419.594 4.964 0 40 HJAB O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccco1 939533 UNEPQNSJOQNWJW-QHCPKHFHSA-N 401.491 4.907 0 40 HJAB O=C1c2cccc3cc(Br)cc(c23)C(=O)N1c1cc(Cl)ccc1O 970566 VIQWIGJEQMOKMA-UHFFFAOYSA-N 402.631 4.762 0 40 HJAB CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 1320547 HUXYKRFGSZAYEN-AREMUKBSSA-N 417.480 4.957 0 40 HJAB CC[C@H]1Oc2ccc(C(=O)n3nc(C)cc3C)cc2N(Cc2cc(C)ccc2C)C1=O 1328835 GIWKCMUWXFYCCF-JOCHJYFZSA-N 417.509 4.509 0 40 HJAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C 2148221 DKFSENSUQISSIR-XIKOKIGWSA-N 417.502 4.563 0 40 HJAB biogenic COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H]1CC=CC[C@H]1Cc1ccccc1 2320259 RXFUGJQYDAQJPM-WMZOPIPTSA-N 406.457 4.857 0 40 HJAB CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccn(C(F)F)n5)nc4c23)C1 2797702 RTDRZYKVNLMOKO-SNVBAGLBSA-N 402.474 4.749 0 40 HJAB CCOC(=O)Cc1csc(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)n1 3302416 YLJNMPBEGOCWNJ-UHFFFAOYSA-N 409.532 4.795 0 40 HJAB O=C(CSc1nnc2sc3ccccc3n12)N1CCC(Cc2ccccc2)CC1 3495758 BHRGLNKXNYQQSG-UHFFFAOYSA-N 422.579 4.517 0 40 HJAB COc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3ccc(OC)cc3c2=O)cc1 4937121 HURNHHMLDGCXTR-UHFFFAOYSA-N 413.473 4.606 0 40 HJAB C[C@H]1CCCCN1C(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 5017863 SBLGFTRUKOSZJQ-ZDUSSCGKSA-N 421.488 4.754 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1C[C@@H](C)CC2 5193430 JSCSXXCVXWHETR-LBPRGKRZSA-N 407.919 4.721 0 40 HJAB Cc1ccc(OCc2nc3ccccc3n2C[C@H](O)COc2ccccc2F)cc1 5902097 RKNHFKHNKQOIGM-SFHVURJKSA-N 406.457 4.503 0 40 HJAB CCOC(=O)c1oc2ccccc2c1CSCC(=O)N1c2ccccc2C[C@@H]1C 5972798 AAZXBWVUZSTCSQ-HNNXBMFYSA-N 409.507 4.821 0 40 HJAB O=C(Nc1ccccc1Cl)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 6406241 SASTZHQKKZTNQS-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB CCCC[C@H](C)Cn1c(SCC(=O)NC2CC2)nnc1-c1ccc(Cl)cc1 6652103 FPDHUKFCORWSIX-AWEZNQCLSA-N 406.983 4.796 0 40 HJAB CCCCOc1ccc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)cc1 6756945 UKFBHSKFZDDMOC-UHFFFAOYSA-N 407.495 4.649 0 40 HJAB Nc1cc(Cl)ccc1C(=O)OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 6886768 UERUBPGNTNURJB-UHFFFAOYSA-N 408.068 4.678 0 40 HJAB CCc1ccc(NS(=O)(=O)c2c(-c3ccccc3)csc2C(=O)OC)cc1 6913956 HQSLYRSPNQHXET-UHFFFAOYSA-N 401.509 4.565 0 40 HJAB aggregator COc1ccc(-n2c(SC[C@H]3CCCO3)nnc2-c2ccccc2Cl)cc1 6977469 DBNWAFOENRMQLL-MRXNPFEDSA-N 401.919 4.867 0 40 HJAB COc1ccccc1NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 7160858 KTLQIPYQLFNVMK-LLVKDONJSA-N 407.417 4.777 0 40 HJAB CCCc1nnc(S/C(=C\c2ccccc2OCc2ccccc2F)C(=O)O)[nH]1 7342272 RSQOVIZTIJFWFJ-PDGQHHTCSA-N 413.474 4.693 0 40 HJAB O=C(CCc1nc2ccccc2[nH]1)N[C@@H](c1ccc2c(c1)CCC2)c1cccs1 8389470 XSUXPQDNCJQJPK-DEOSSOPVSA-N 401.535 4.952 0 40 HJAB CC[C@@H](C)[C@H](C(=O)Nc1cc2c(cc1Br)OCCO2)c1ccccc1 8404833 DRGVEJQXIWCSTB-YJYMSZOUSA-N 404.304 4.989 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cc2ccccc2o1 8784738 RMCBALCDVVLPQZ-UHFFFAOYSA-N 414.437 4.720 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(F)c2)N1Cc1cccnc1 9309660 RVUNOODCRCEYHV-FQEVSTJZSA-N 420.827 4.726 0 40 HJAB Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)n2)c1 10253543 SIBNRRGMOPGGRL-UHFFFAOYSA-N 414.552 4.861 0 40 HJAB CCc1ccccc1N1C(=O)N(Cc2ccc(F)cc2)c2ccccc2S1(=O)=O 10272588 HMKDQICARVSLBH-UHFFFAOYSA-N 410.470 4.724 0 40 HJAB CC(=O)c1cccc(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)c1 10843787 MYECEYDKMYMABW-UHFFFAOYSA-N 405.420 4.559 0 40 HJAB CN(C(=O)c1cccs1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12237237 LVGQUMFMXACUBR-UHFFFAOYSA-N 423.563 4.837 0 40 HJAB Cc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(C)c(C)c4)c3C)c(C)o2)cc1 12415832 ZJZSJJPIQFCYSZ-UHFFFAOYSA-N 416.481 4.821 0 40 HJAB Cn1c(CNC(=O)c2ccccc2OCc2ccc(Cl)cc2)nc2ccccc21 12548047 FOMWFHKESQYQJM-UHFFFAOYSA-N 405.885 4.736 0 40 HJAB C[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccc(Br)cc2)C1=O 12622844 MZOAXQIFLUDNDX-OAQYLSRUSA-N 409.283 4.570 0 40 HJAB COc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1 12762429 TVENUPAZVXPDQW-UHFFFAOYSA-N 414.509 4.960 0 40 HJAB COc1ccc2sc(N(Cc3ccncc3)C(=O)Cc3ccc(F)cc3)nc2c1 13037054 FXHDGRKTVDVLDH-UHFFFAOYSA-N 407.470 4.615 0 40 HJAB O=C(Nc1ccccc1)c1ccccc1O[C@@H](C(=O)N1CCCC1)c1ccccc1 13165360 GCLQAIOFTPGROS-HSZRJFAPSA-N 400.478 4.681 0 40 HJAB CCOc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)c1 13673642 HGFWVYPEZYIEOB-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB O=C(CCCn1nc(-c2ccco2)ccc1=O)N(Cc1ccccc1)c1ccccc1 13698489 FTHNBQXBVFMCIG-UHFFFAOYSA-N 413.477 4.517 0 40 HJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1nc(-c2ccc(F)cc2)cs1 14376904 WAXIUDRZOXBIDU-UHFFFAOYSA-N 420.391 4.956 0 40 HJAB COc1ccc(-c2cc3c(SCC(=O)Nc4cc(C)ccc4C)nccn3n2)cc1 17026272 WERAHRGCPCFSFT-UHFFFAOYSA-N 418.522 4.753 0 40 HJAB COc1c(F)c(F)c(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c(F)c1F 17092919 FSACBXJSTKWCJW-UHFFFAOYSA-N 422.334 4.658 0 40 HJAB O=C(C1CCC1)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19373071 BBJIMTCLHBXZKH-FQEVSTJZSA-N 413.525 4.788 0 40 HJAB Cc1noc2nc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)cc(C(F)F)c12 19563947 DQTGCJNEUPNSGZ-CQSZACIVSA-N 403.404 4.557 0 40 HJAB CCOc1ccc(CNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 20484461 MHOJGADOUBOCQP-UHFFFAOYSA-N 400.522 4.968 0 40 HJAB Cc1cc(C)cc(OCC(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 20611165 DUXVSLSELQJAFY-UHFFFAOYSA-N 404.445 4.502 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)n2cccc/c2=N\C2CCCCC2)c1 22226464 FZJBHSJILBSPMJ-WJTDDFOZSA-N 405.498 4.594 0 40 HJAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CCSc2c(F)cccc21 24756921 VKHWKTJINVQDSV-XJKSGUPXSA-N 422.934 4.635 0 40 HJAB C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)N1CCOCC1 25329150 WJMIMXYRGJRXJX-AUUYWEPGSA-N 408.329 4.577 0 40 HJAB CC(=O)c1ccc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)cc1 25423516 XBXNPRXCHDDSKD-OAQYLSRUSA-N 422.868 4.892 0 40 HJAB Cc1ccc(/C=c2\sc3nc(-c4sc5ccccc5c4Cl)nn3c2=O)cc1 26965313 CFPSSPZEIGBRIT-GDNBJRDFSA-N 409.923 4.542 0 40 HJAB O=C(Nc1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1)c1cnccn1 28221536 TYCWQTRJFLSSPL-UHFFFAOYSA-N 412.236 4.753 0 40 HJAB CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 30012919 FCKTTZWFZZSMJK-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB CS(=O)(=O)c1ccccc1C(=O)Oc1ccc(-c2nc3ccccc3s2)cc1 32738178 UOCJZAYMLODFQE-UHFFFAOYSA-N 409.488 4.586 0 40 HJAB CC1CCN(C(=O)COc2ccccc2-c2noc(-c3ccc(Cl)cc3)n2)CC1 33325220 HBWXESGXBBGSCF-UHFFFAOYSA-N 411.889 4.694 0 40 HJAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)cc(OC)c1OC 36354256 BFHBQTCTXLLQFT-HNNXBMFYSA-N 413.861 4.675 0 40 HJAB COc1cc([C@@H](C)NC(=O)Cc2csc(-c3ccco3)n2)ccc1OCC(C)C 40087551 BOCRNBWBFDFIHL-OAHLLOKOSA-N 414.527 4.866 0 40 HJAB Cn1c(C(=O)NCc2ncc(-c3ccccc3)o2)c(Br)c2ccccc21 52688948 VXIDCHPHJLATTA-UHFFFAOYSA-N 410.271 4.526 0 40 HJAB COc1cc(OC)c(C2=CCN([C@@H](C)C(=O)c3c[nH]c4ccccc34)CC2)c(OC)c1 57970456 ZISDJACZCDFFGD-INIZCTEOSA-N 420.509 4.554 0 40 HJAB Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H](c1c(F)cccc1Cl)N(C)C 58158676 IOGLSPRBHIQGNA-NRFANRHFSA-N 413.924 4.606 0 40 HJAB COc1ccc(-n2c(SCc3ccc(F)cc3)nc3ccccc3c2=O)c(OC)c1 67258905 FUTBBVXDWICFTN-UHFFFAOYSA-N 422.481 4.834 0 40 HJAB COc1cccc(CSc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)c1 67260624 BTYNDEDQVWKESD-UHFFFAOYSA-N 415.522 4.962 0 40 HJAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)c(OC)c1 67296467 VOCPRONKCMLLKP-LCUIJRPUSA-N 415.449 4.638 0 40 HJAB CC(C)(C)c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1c[nH]nc1-c1cccs1 72337365 PWPSIKSLSDPFHU-WBVHZDCISA-N 418.570 4.740 0 40 HJAB COc1ccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)n2)cc1 72349592 UNNNMHMVXTUTNU-FQEVSTJZSA-N 404.485 4.845 0 40 HJAB Cc1ccc([C@@H](CNc2cc(Cn3c(C)nc4ccccc43)nc(C)n2)N(C)C)cc1 72373246 IPIIHYFJZMBTQD-XMMPIXPASA-N 414.557 4.515 0 40 HJAB CCOc1ccccc1CN(Cc1ccc(F)cc1)[C@@H]1COC[C@H]1Cc1cc(C)no1 72395082 AKQIOQBBNRNPDU-ZJSXRUAMSA-N 424.516 4.781 0 40 HJAB O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 98064846 XCGBHAKQBLLNAD-BQYQJAHWSA-N 401.797 4.648 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 222982638 PHFKAPISPWWXGB-SFTDATJTSA-N 421.522 4.812 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 223131633 BZAWRAPHAFPNDB-NRFANRHFSA-N 424.585 4.831 0 40 HJAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(Cl)c1Cl 223177516 JOOOADBPOBWHOX-LLVKDONJSA-N 400.327 4.530 0 40 HJAB Cc1cccc(OCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 224329101 DZDRLAATNDGDMY-UHFFFAOYSA-N 400.522 4.757 0 40 HJAB COc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1COC(C)C 224429575 PFOLAVPYNADLGG-UHFFFAOYSA-N 416.949 4.544 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1cccc(Cl)c1 224491058 CMRDNGZPPARPIC-UHFFFAOYSA-N 424.884 4.669 0 40 HJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)cc1Cl 224949686 BCEAMSQFSDMTSL-WOJBJXKFSA-N 412.946 4.866 0 40 HJAB CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1NC(=O)C(C)C 225283074 WNIDJLVHEAGXII-INIZCTEOSA-N 420.600 4.659 0 40 HJAB CCCC(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N2CCCC2)CC1 257211460 BYXSVNNWSABULV-UHFFFAOYSA-N 424.610 4.989 0 40 HJAB O=C(COc1cccc(F)c1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257309939 UCYHRHNKFXCALS-OAQYLSRUSA-N 412.436 4.676 0 40 HJAB CC(=O)Oc1ccc(-c2coc3cc(OCCCCCC(=O)O)c(C)cc3c2=O)cc1 263583560 JWFPBYYTWGBSMW-UHFFFAOYSA-N 424.449 4.718 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 408641124 KONWKEBGENJKRJ-HXUWFJFHSA-N 422.525 4.642 0 40 HJAB CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)NC(SCc2ccccc2)=N1 408993001 VNEAYMBWWPRWJW-QGZVFWFLSA-N 406.338 4.686 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3C)o2)cc1 409340527 YOPYTSZDHOSFCX-UHFFFAOYSA-N 417.918 4.904 0 40 HJAB C[C@H](CC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1F 504243853 LMQYZUTWUIMPQR-IAGOWNOFSA-N 405.473 4.844 0 40 HJAB Cc1ccc(-n2cc(C(=O)N3CCC(CCC(=O)O)CC3)c(-c3ccccc3)n2)cc1 540782399 JHHULZCGZIWRKU-UHFFFAOYSA-N 417.509 4.565 0 40 HJAB O=C(NCc1ccccc1Oc1ccccc1)N1CCCN(c2ccccc2)CC1 1677655755 OSHYYDRLTMGHML-UHFFFAOYSA-N 401.510 4.901 0 40 HJAB C[C@@H]1CCCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 844977 GYJRMXOWZROTDC-GFCCVEGCSA-N 406.383 4.569 0 40 HJAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3O)nnc2-c2ccccc2)cc1 900577 RGWYZKDCTMBNBU-UHFFFAOYSA-N 416.506 4.679 0 40 HJAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nnc12 907381 ZCWLMTRSOULJKR-YJYMSZOUSA-N 422.476 4.796 0 40 HJAB COc1ccc(S(=NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1 990214 ITISDMTZYBOHQS-UHFFFAOYSA-N 415.536 4.621 0 40 HJAB O=C1OC(c2cccc(Br)c2)=N/C1=C/c1ccc(Br)cc1 1084845 MZPQHOJDAMHGIN-RIYZIHGNSA-N 407.061 4.556 0 40 HJAB COc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc(OC)c1OC 1510110 RNRJVBBDMLIESA-UHFFFAOYSA-N 403.438 4.508 0 40 HJAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1cccc(Br)c1)C3 2123047 ZCKKYRHDSIQXLC-UHFFFAOYSA-N 400.272 4.837 0 40 HJAB biogenic Cc1cccc(NC(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc23)c1 2298771 FNVFVFXMAFDTBU-UHFFFAOYSA-N 407.477 4.776 0 40 HJAB CC[C@@H](O)CNc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2405776 LZYWHCKXRFHEAO-GFCCVEGCSA-N 416.616 4.831 0 40 HJAB COc1ccc(/C=C/C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 3247228 HIAZLFOOQYRRDX-FYWRMAATSA-N 402.446 4.810 0 40 HJAB Cc1c(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)cnn1-c1ccccc1 4667835 YSKZWOOEIGPVGK-UHFFFAOYSA-N 406.902 4.591 0 40 HJAB COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3F)C2)cc1OC 5022172 JGFBOUOWLVDPQC-SFHVURJKSA-N 410.470 4.896 0 40 HJAB O=C(/C=C/c1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 5025172 OOXCZTZDUZFIFJ-FOCLMDBBSA-N 420.516 4.659 0 40 HJAB CCCSc1nc(NCCCN(C)C)c2c3c(sc2n1)CO[C@](C)(CC)C3 5157538 MGIMLNZNWKAWQJ-HXUWFJFHSA-N 408.637 4.798 0 40 HJAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2cccc(F)c2)cc1 5752462 KAXNUZPTAZJRGA-HSZRJFAPSA-N 404.441 4.591 0 40 HJAB CC(C)CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 6325890 DOUVAHMFRCYSML-MRXNPFEDSA-N 400.906 4.757 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCCCC1 6372549 FFNVZEJGCWMRSO-UHFFFAOYSA-N 400.544 4.545 0 40 HJAB CC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)cc1 6879077 JQLBZHNDENYBSF-HSZRJFAPSA-N 416.477 4.799 0 40 HJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@@H]1Cc2ccccc2O1 7242600 WCLJJANNEPTZIZ-DEOSSOPVSA-N 409.489 4.501 0 40 HJAB CCc1ccc(NC(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)cc1 8086208 LLKXCGUDEDGZQI-UHFFFAOYSA-N 423.538 4.864 0 40 HJAB C[C@@H](Sc1nccn1C)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 8135884 CWTOEGLRYYJFDS-CQSZACIVSA-N 408.552 4.740 0 40 HJAB CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC(c2nc3ccccc3s2)CC1 8201719 NMEGNQKJNVCFOB-SFHVURJKSA-N 407.583 4.913 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c(C)c1 8499791 ZWRUQSQJIJLVEO-LJQANCHMSA-N 402.494 4.639 0 40 HJAB O=C(CCc1nc(-c2ccsc2)no1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8736093 YOKNMGJVJBMTDD-CQSZACIVSA-N 424.551 4.747 0 40 HJAB COc1ccc(OC)c(C2=Nn3c(nnc3-c3ccc(Cl)cc3Cl)SC2)c1 9216027 RWFVPOBNISFRBE-UHFFFAOYSA-N 421.309 4.627 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3cc(C)ccc3C)cc2)cc1 10112635 KUGYOEJSPHYCLD-LJQANCHMSA-N 422.550 4.904 0 40 HJAB CCOc1cccc2c1O[C@H](c1ccc(OC)cc1)N1N=C(c3cccnc3)C[C@@H]21 11851600 SKTKKIDETZOUTP-XUZZJYLKSA-N 401.466 4.731 0 40 HJAB Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)c3cccc4ccccc34)CC2)n1 12223831 UAMNASTWIGVUGL-UHFFFAOYSA-N 424.504 4.693 0 40 HJAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(C)C)cc2)C1=O 12629057 KHTNBYGPIJPXIL-NDENLUEZSA-N 424.522 4.705 0 40 HJAB COc1ccc(F)cc1CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1 12761702 MSMNMSRECOVTHF-UHFFFAOYSA-N 408.473 4.522 0 40 HJAB C[C@@H]1Oc2ccc(NC(=O)CSC(c3ccccc3)c3ccccc3)cc2NC1=O 13001490 SKILZMAZWUKAGT-INIZCTEOSA-N 418.518 4.867 0 40 HJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 14022766 XIFQMSVGRVGKCZ-QHCPKHFHSA-N 402.494 4.721 0 40 HJAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2cc(C)ccc2C)cs1)c1ccc(C)cc1 14047920 YMMGFKUGCGIFQP-HXUWFJFHSA-N 407.539 4.941 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(F)c(Br)c1 15582165 WLLAKQOBMKJVFP-UHFFFAOYSA-N 402.311 4.740 0 40 HJAB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@@H]1c1ccco1 15973959 JMKBWRJNDQOQKP-OAQYLSRUSA-N 411.461 4.794 0 40 HJAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N(Cc1ccccn1)C[C@H]1CCCO1 19666701 GTICQRUEFPDOQY-LJQANCHMSA-N 411.889 4.520 0 40 HJAB CCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 20003563 ZMODWVSEAAENHJ-UHFFFAOYSA-N 415.331 4.502 0 40 HJAB Cc1cccc(N2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1C 20036454 TUGQGORRRNOQSN-UHFFFAOYSA-N 422.550 4.607 0 40 HJAB CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 20043636 VSSLVCDQCTVPHV-UHFFFAOYSA-N 418.584 4.534 0 40 HJAB Cc1sc(NC(=O)c2ccccc2)c(CN2CCN(Cc3ccccc3)CC2)c1C 20193322 VGAJPLGLZHASDW-UHFFFAOYSA-N 419.594 4.935 0 40 HJAB Cc1nc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)nn1-c1ccc(F)cc1 23983869 ZLAFGQCAIJSJDU-IBGZPJMESA-N 424.526 4.626 0 40 HJAB CN(C)[C@@H](CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 25330101 NTMUEENSDQYTIM-AWEZNQCLSA-N 410.383 4.818 0 40 HJAB Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N(C)C)cc(=O)c2cc1C 28289802 XEOQSIRAOJTNNE-OAQYLSRUSA-N 420.553 4.740 0 40 HJAB O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1cccc(CN2CCCC2=O)c1 31918271 AGGXETKVYHDGFN-UHFFFAOYSA-N 407.297 4.523 0 40 HJAB COc1ccccc1[C@H](CNC(=O)c1ccc2c3c(cccc13)CC2)N1CCCC1 32902428 XWXDSGLHHBQHAZ-QHCPKHFHSA-N 400.522 4.514 0 40 HJAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@H]1CC[C@H](C(F)(F)F)NC1=O 36837499 ZZSVRUKSOYPZKI-CZUORRHYSA-N 412.795 4.528 0 40 HJAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cccc(N3CCOC3=O)c2)n1 40129047 OHDHPEPBGMIHJL-UHFFFAOYSA-N 418.478 4.809 0 40 HJAB CCN(Cc1cc(=O)n2nc(C3CCCCC3)sc2n1)c1ccc(Cl)cc1 41108714 SEQNIOAMQCUGOA-UHFFFAOYSA-N 402.951 4.879 0 40 HJAB O=S(=O)(Nc1ccc(Sc2nncs2)cc1)c1ccccc1C(F)(F)F 47417204 AWDBWFGTITVHLO-UHFFFAOYSA-N 417.459 4.509 0 40 HJAB O=C(Nc1cc(N2CCOC2=O)ccc1F)c1ccc(-c2ccccc2F)s1 56211194 XRHBLGDLPIHSJA-UHFFFAOYSA-N 400.406 4.902 0 40 HJAB C[C@H]1CN(c2ccc(NC(=O)NCCSCc3cccs3)cc2F)C[C@H](C)O1 65588855 ODYNZNIACAWDDL-GJZGRUSLSA-N 423.579 4.556 0 40 HJAB COC(=O)c1cc(NC(=O)c2sccc2SC(F)F)ccc1Br 95460067 UYKPXRHPTNVOBO-UHFFFAOYSA-N 422.272 4.864 0 40 HJAB CC[C@H](NC(=O)CCc1cc(F)ccc1F)[C@H](O)c1ccc(C(F)(F)F)cc1 95972125 RHXKEAVOIKSFSB-PKOBYXMFSA-N 401.375 4.545 0 40 HJAB Cc1ccc(CNC(=O)c2ccc3onc(-c4csc(-c5cccnc5)n4)c3c2)o1 96037846 DPNMTTVSZNVRDR-UHFFFAOYSA-N 416.462 4.845 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn12 96037989 REUSJNFQHGKSSB-UHFFFAOYSA-N 415.403 4.718 0 40 HJAB CC[C@]1(C(=O)c2ccc(C)cc2)[C@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)OC 100130017 KQWIHRUGKSRLSB-QGDZQMKYSA-N 414.457 4.603 0 40 HJAB Cc1cccc(N2CCN3c4cc(Cl)ccc4CC4(C(=O)CCCC4=O)[C@H]3C2)c1C 103409303 OCWRNCNDOIJVSL-JOCHJYFZSA-N 422.956 4.517 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@H]2C[C@@H](C)CC[C@H]2C1=O 136694346 WTDHNUXLMXXUCK-SCWSEQNSSA-N 418.537 4.989 0 40 HJAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)CC(C)(C)O2 219688921 DQFUKFAUAAGNLC-KBXCAEBGSA-N 418.331 4.943 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 222460471 YXISJUKZKMLCTL-JOCHJYFZSA-N 412.599 4.809 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 222596871 DCELAUHTGUWTTF-XUZZJYLKSA-N 408.586 4.692 0 40 HJAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1C(=O)NCc1ccccc1 222933003 WSDBYRIIUSKOMT-UHFFFAOYSA-N 414.505 4.513 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 223095820 BMOHLXKYDUFJLG-FQEVSTJZSA-N 412.599 4.811 0 40 HJAB S=C(Nc1ncc(Br)cc1Br)NC1CCCCCC1 224039870 FBQBZHYSAGJDQT-UHFFFAOYSA-N 407.175 4.616 0 40 HJAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccccc1OC 224581180 HXTAAWQOVPOFJZ-UHFFFAOYSA-N 417.505 4.871 0 40 HJAB O=C(NCCCc1cccc2ccccc12)c1cccc(I)c1 224966863 OWVFZVWOCLZINL-UHFFFAOYSA-N 415.274 4.807 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 225511924 JMTLZVSKVSOLJV-XUZZJYLKSA-N 424.585 4.713 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 225518908 KJDQDLSJHNJTLL-XUZZJYLKSA-N 408.586 4.876 0 40 HJAB S=C(NCc1ccccc1Cl)Nc1nc(Cl)cc(N2CCCCCC2)n1 225938936 UTYDFBAMRWUCEY-UHFFFAOYSA-N 410.374 4.650 0 40 HJAB Cc1nn(CCNC(=O)Cc2cccc(C(F)(F)F)c2)c(C)c1-c1ccccc1 238825081 DNYZXFXWIYIUKN-UHFFFAOYSA-N 401.432 4.545 0 40 HJAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(OC)cc(OC)c4)OCC[C@@]31C2 257270211 MTENJBLVXQJSFB-DSQRQMGKSA-N 401.547 4.503 0 40 HJAB CCCCC(=O)N1CCC[C@@H]1c1nc(COc2ccccc2Cl)c(C(=O)O)s1 257271141 MXAHJFVAKMEQFZ-OAHLLOKOSA-N 422.934 4.927 0 40 HJAB COc1ccc(-c2cccc([C@H]3CN(Cc4ccc5ncccc5c4)CCO3)n2)cc1 257335459 YKFYGVWHRQWPQJ-AREMUKBSSA-N 411.505 4.879 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1Cc1cccnc1 260756005 CVGLJZPKXGQJAF-URZJWIJPSA-N 403.555 4.533 0 40 HJAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCc1ccc(-c2ccoc2)s1 390830178 JGRZTMMKLMGYKJ-UHFFFAOYSA-N 415.458 4.689 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(OC)cc3)n2)cc1 408695261 OXAKMRZOWMFUMW-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB Cc1onc(C(C)C)c1C(=O)N1Cc2ccccc2NCC[C@H]2CC[C@@H](C1)N2C(C)C 643578145 HTSRZQNHVDZHEE-RTWAWAEBSA-N 424.589 4.806 0 40 HJAB O=C(NC[C@H](O)CCc1ccccc1)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 1682121554 JBZRAQNMKZLZGB-BAGYTPMASA-N 400.950 4.659 0 40 HJAB O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(Cl)cc1Cl 633609 CQWCZKKNYNJFOQ-MRXNPFEDSA-N 405.064 4.713 0 40 HJAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)COc2c(C)cccc2C)c1 683272 AKIIMJVNPOWFMO-UHFFFAOYSA-N 418.493 4.972 0 40 HJAB Cc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)COc3ccccc3)n2)cc1 932694 PIRSZMFGXFDVQL-FQEVSTJZSA-N 408.523 4.710 0 40 HJAB COc1cc(C(=O)N(C)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC 932748 ZLVCDONNDHQTNK-UHFFFAOYSA-N 418.902 4.766 0 40 HJAB CC1CCN(C(=O)COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)CC1 943602 UEGGYMUWNSTUBN-UHFFFAOYSA-N 411.885 4.751 0 40 HJAB Cc1ccc(S(=O)(=O)[C@@H](NC(=O)OCc2ccccc2)C2CCCCC2)cc1 1384112 WZHWEXDHOOYBKR-OAQYLSRUSA-N 401.528 4.602 0 40 HJAB CCCCOCCCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O 2092109 JCXPNUGBZYSBTB-UHFFFAOYSA-N 413.514 4.720 0 40 HJAB biogenic COc1ccc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c(OC)c1 2235443 UENMCCDPIKYBHT-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB CSc1nc2sc3c(c2c2nnc(SCC(=O)c4ccccc4)n12)CCC3 2277555 JGWIBEYZLVPPCW-UHFFFAOYSA-N 412.565 4.525 0 40 HJAB COc1ccc(C2=C[C@@H](c3ccc(Cl)cc3Cl)N3N=NNC3=N2)c(OC)c1 2587997 OJXNEVRCZOJPDY-INIZCTEOSA-N 404.257 4.650 0 40 HJAB Cc1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)c(Br)c1 2647104 ZOBXQWFCDPEQFV-UHFFFAOYSA-N 409.711 4.560 0 40 HJAB CN(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 3234633 XFKCOPWGTBRDPM-UHFFFAOYSA-N 416.502 4.779 0 40 HJAB COc1cc2c(cc1NC(=O)[C@@H](C)NCCc1ccc(F)cc1)oc1ccccc12 3287443 XMCCCCGCKFLYEM-OAHLLOKOSA-N 406.457 4.893 0 40 HJAB COc1ccc(CNC(=O)c2oc3ccccc3c2COc2ccccc2)cc1OC 3344802 PWXXJFZGQCIXLP-UHFFFAOYSA-N 417.461 4.959 0 40 HJAB COc1ccc(-c2cc(C(=O)NCc3cccs3)c3ccccc3n2)cc1OC 3373246 FUTBJPBPBPFEPG-UHFFFAOYSA-N 404.491 4.911 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)c1 4088751 TUKQNVKISIVBDA-UHFFFAOYSA-N 415.902 4.542 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1oc2ccccc2c1NC(=O)C1CCCC1 4354099 COZPVKYVKRMREA-UHFFFAOYSA-N 406.438 4.585 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2C(=O)C(C)C)cc1 4816865 KDKUVYKUYLWYEQ-UXHICEINSA-N 410.905 4.664 0 40 HJAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(Br)cc3)NC(=O)CCN21 4817385 RFMQXAFEULLZCF-RSNBEDGSSA-N 411.343 4.785 0 40 HJAB O=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 4859371 RVRSPZYAGPADJJ-UHFFFAOYSA-N 419.525 4.853 0 40 HJAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1 5099733 BTIUGWRBXRHXIU-UHFFFAOYSA-N 406.507 4.536 0 40 HJAB CCOP(=O)(OCC)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F 5334473 DKSQREWZBVVRBW-GFCCVEGCSA-N 408.140 4.878 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(C)c(C)c4)c(=O)c23)s1 5351934 GXUXUNUUDDWOGN-UHFFFAOYSA-N 409.536 4.750 0 40 HJAB CCOc1ccc(CN(C)C(=O)CSc2cc(C)c3ccccc3n2)cc1OC 6509797 QZVQWNPPACLWBH-UHFFFAOYSA-N 410.539 4.701 0 40 HJAB Cc1nnc(S/C(=C\c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)O)[nH]1 6525888 KLDXCFRUFCRKAP-YVLHZVERSA-N 401.875 4.563 0 40 HJAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCC(c2nc3ccccc3s2)CC1 8074756 NIGSCFVVTYXLKC-UHFFFAOYSA-N 410.564 4.793 0 40 HJAB Cc1cccc(N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)n1 9410631 MAMYUJMXPBRKOG-JOCHJYFZSA-N 424.426 4.550 0 40 HJAB Cc1ccc(N(CCCC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1C 10330650 PCJWOECFJUKXGA-UHFFFAOYSA-N 402.560 4.612 0 40 HJAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H](c2nc3ccccn3c2NC(C)(C)C)C1 12088144 YMQSYAKLYFFLLS-QGZVFWFLSA-N 423.561 4.984 0 40 HJAB O=C1Nc2ccc(Cl)cc2[C@]12Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 12130045 TVKBVQFIFYBNEC-OFNKIYASSA-N 401.853 4.689 0 40 HJAB O=C(CCc1nnc(-c2ccsc2)o1)N[C@H](c1ccc(F)cc1)c1cccs1 12738329 ZCNWFEYTFIXIPJ-LJQANCHMSA-N 413.499 4.837 0 40 HJAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)c1 12784282 NCWIFJKCJOJAMD-SXYIGIQMSA-N 400.950 4.794 0 40 HJAB C[C@@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)c1nnc(-c2ccccc2)o1 12788036 SRNPFAPURSGYIK-MRXNPFEDSA-N 400.486 4.895 0 40 HJAB CCn1ncc2c(C(=O)Nc3cc(OC)c(OC)cc3C)cc(-c3cccs3)nc21 12815921 ZCKVIBMKQKMLGU-UHFFFAOYSA-N 422.510 4.758 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NCCC(C)C 13955545 FGRWFPAXWJTFRQ-DEOSSOPVSA-N 403.526 4.574 0 40 HJAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3cc(-c4ccccc4)on3)C2=O)cc1 15551671 UAUMLOUPVHPFMX-XMMPIXPASA-N 403.482 4.606 0 40 HJAB CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 16309999 VPHCLSRMRHGPKU-FQEVSTJZSA-N 420.513 4.565 0 40 HJAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccc(F)cc1 16742318 JJDJANQWDKNUKA-OAQYLSRUSA-N 419.383 4.522 0 40 HJAB CC(C)Oc1cccc(CN2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 19450858 YQXYCXVLJBZQTO-XUZZJYLKSA-N 423.601 4.984 0 40 HJAB CC(C)c1ccc(CN2CCC[C@H](c3cc(C(=O)NCc4ccncc4)on3)C2)cc1 19453224 SBBCKIXVVKGWTP-QFIPXVFZSA-N 418.541 4.503 0 40 HJAB CCOCc1cc(CN2CCCC[C@@H]2c2n[nH]cc2-c2cc(C)no2)ccc1OC 19531151 RISKNNNYXWHBJL-HXUWFJFHSA-N 410.518 4.645 0 40 HJAB COc1ccccc1-c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccnc2)[nH]n1 19571541 WNTWZQLDXHPAOT-JOCHJYFZSA-N 418.884 4.653 0 40 HJAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 19694687 OURSWDSSFPCCQZ-LJQANCHMSA-N 420.944 4.883 0 40 HJAB O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccccc1Cl 20151734 ASEXSTLUSUQYIO-UHFFFAOYSA-N 421.305 4.873 0 40 HJAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c[nH]c2ccccc2c1=O 22234088 PWSXBYBVFSEFDD-UHFFFAOYSA-N 400.278 4.818 0 40 HJAB Cc1sc(NC(=O)C(C)(C)C)c(C(=O)OCc2noc(-c3ccsc3)n2)c1C 22894180 GCGBVNTUNHTKRX-UHFFFAOYSA-N 419.528 4.818 0 40 HJAB COc1ccc(C(C)=O)cc1CC(=O)Nc1cc2oc3ccccc3c2cc1OC 23132115 BEVAHNAYECERJK-UHFFFAOYSA-N 403.434 4.987 0 40 HJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 23740025 AGBSLMYIDBUQQQ-NRFANRHFSA-N 409.530 4.601 0 40 HJAB O=C(CCCc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 27570390 ZQUVQZWXJTZCJI-IBGZPJMESA-N 410.823 4.550 0 40 HJAB Cc1c([C@H](C)NC(=O)CCc2nc3ccccc3s2)cnn1-c1ccc(F)cc1 31562600 SOWDPJDOZDLSCH-AWEZNQCLSA-N 408.502 4.740 0 40 HJAB O=C(NCCSCc1cccs1)NCc1ccc(COCC(F)(F)F)cc1 32802060 FDUIRYBBOXVHGE-UHFFFAOYSA-N 418.506 4.560 0 40 HJAB C[C@H]1CCCN(C(=O)COc2ccccc2-c2noc(-c3ccccc3Cl)n2)C1 33325244 FUOMYBDPXKFWDH-HNNXBMFYSA-N 411.889 4.694 0 40 HJAB Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC[C@H](C)Cn3cccn3)cc12 36612034 JIDWHOZZSMMGKG-SFHVURJKSA-N 400.526 4.569 0 40 HJAB O=C(NCCSCc1ccccc1Cl)C1CCN(Cc2ccccc2F)CC1 39751365 FUMVMWQAVAVOTP-UHFFFAOYSA-N 420.981 4.741 0 40 HJAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)cc(OC)c1OC 40283165 XUCZJZMWMGACJW-CYBMUJFWSA-N 413.861 4.675 0 40 HJAB COCc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@@H](C)[C@H]4C)ccc32)c1-c1ccccc1 40396432 ZJSVXTXKCIZWFG-CBGDNZLLSA-N 416.525 4.855 0 40 HJAB CCOc1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1OC 58165436 ATOPFRZTTRXSHX-UHFFFAOYSA-N 409.555 4.540 0 40 HJAB CCCS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H]2[C@H](CC)c2ccccc2)c1 71844266 OEYVDVBDVBBOAE-YADHBBJMSA-N 414.571 4.637 0 40 HJAB Cc1n[nH]cc1C(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358054 OHVMBFZMKKUBAN-HXUWFJFHSA-N 414.431 4.700 0 40 HJAB Cn1ccnc1SCc1cccc(C(=O)N[C@@H]2CCC[C@@H]2OCc2ccccc2)c1 89761484 PDKXAWYBSXPKNE-YADHBBJMSA-N 421.566 4.580 0 40 HJAB Cc1sc(NC(=O)[C@H]2CCC(=O)C[C@H]2C)nc1-c1ccc(Br)cc1 95447021 AIFWEESVMZWMJB-BMIGLBTASA-N 407.333 4.825 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc3c(c2)CCCC3)sc2c1CCCC2 96586442 OREKTZNNDUMNPV-UHFFFAOYSA-N 413.539 4.700 0 40 HJAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2ccccc2)C[C@@H](c2ccco2)C1 102315220 ZRUUHKDLWPMVIM-PXAZEXFGSA-N 400.360 4.955 0 40 HJAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4C[C@@](O)(C(Cl)(Cl)Cl)CC[C@]34C)[C@@H]1CCC2=O 118915192 PRKJWXBURFOVQU-QSFOBHGDSA-N 421.792 4.879 0 40 HJAB COc1ccc(C2(C(=O)Nc3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 139832063 LTWPWWZYSCNHFA-UHFFFAOYSA-N 417.505 4.961 0 40 HJAB C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc(C(C)(C)C)cc1 216244975 CQMMDWATZCBBDW-ZDUSSCGKSA-N 408.951 4.500 0 40 HJAB CN(c1ccc(Cl)c(C(=O)Nc2cccc(F)c2)c1)S(=O)(=O)c1ccccc1 224332983 GBBFBEUGADIJCL-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1Cl 224949604 BCEAMSQFSDMTSL-UXHICEINSA-N 412.946 4.866 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 225454400 VIBXHOVRDLMQCM-QGZVFWFLSA-N 418.990 4.515 0 40 HJAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1cccc(Br)c1 225739050 NJTHZFKEHMJLOM-CQSZACIVSA-N 404.377 4.577 0 40 HJAB Cc1ccc([C@@H](NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c2ccncc2)cc1C 248168557 UFITZIFOUWXNTQ-IBPNZLQVSA-N 404.554 4.625 0 40 HJAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4cc(C(C)C)n[nH]4)CC3)o2)s1 257292512 QLXGHCVNOROCHP-SHTZXODSSA-N 413.547 4.657 0 40 HJAB COc1ccc(F)cc1-c1ccc2nc([C@H]3CCCN(Cc4ccco4)C3)nn2c1 306134210 NFTOKLJOVKHYBP-KRWDZBQOSA-N 406.461 4.517 0 40 HJAB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 408660708 CCROSCLQWKGOGU-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(Cl)c2)cc1 408696380 AQJRHBLTJNUEOB-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB CCN(CC)C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704967 WGHNCQHSDWTMAV-NRFANRHFSA-N 402.947 4.596 0 40 HJAB CCCCC1=NN(C(=O)CSCc2ccccc2Cl)[C@](O)(C(F)(F)F)C1 409171635 BPPNMLJBOMBINP-MRXNPFEDSA-N 408.873 4.603 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(OC)cc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409341143 CZPGZAIVUHTCOX-IIMJZQEZSA-N 412.452 4.610 0 40 HJAB Cc1nc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)ccc1Br 679561 UBYGZINKPBCIQW-UHFFFAOYSA-N 406.349 4.577 0 40 HJAB COc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 803422 QOUCUJLJQSMYSW-UHFFFAOYSA-N 404.422 4.530 0 40 HJAB CCOC(=O)[C@H](CC)Sc1nnc(COc2ccccc2C)n1-c1ccccc1 876612 OBCQLCHJQWSVLF-IBGZPJMESA-N 411.527 4.589 0 40 HJAB COc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)cc1 995200 PFBPKIQENRFPRX-CQSZACIVSA-N 401.528 4.628 0 40 HJAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)Nc1c(C)cccc1C 1238117 NRBWUNNPLMPGHF-UHFFFAOYSA-N 419.456 4.613 0 40 HJAB COc1cccc(NC(=O)CSc2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)c1 1326193 OFDWXFGJQYBNBV-GFCCVEGCSA-N 413.568 4.864 0 40 HJAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3F)cc2c1 1353252 OXSNISNCKNKTCO-UHFFFAOYSA-N 416.456 4.605 0 40 HJAB O[C@@]1(c2ccc(Cl)cc2)C[N+]2=C(CCCCC2)N1c1ccc(Br)cc1 1909486 KYFPWJRTHUCTFG-HXUWFJFHSA-N 420.758 4.753 0 40 HJAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CC(C)(C)OC3 2292449 BHDUOPXVCWYBGG-UHFFFAOYSA-N 416.568 4.809 0 40 HJAB COc1cc2c(cc1OC)CN(C(=O)CCCOc1ccc(Cl)cc1Cl)CC2 2356711 MVQLJTCSSYBLLV-UHFFFAOYSA-N 424.324 4.755 0 40 HJAB CC(C)(C)OC(=O)n1cc(I)c2c(Br)cccc21 2563791 CYHAIEGIFOBUMF-UHFFFAOYSA-N 422.060 4.792 0 40 HJAB Cc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1 3341160 UAJUEKYJHDKOJX-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 3344584 QRBBUUZNOPYRJF-UHFFFAOYSA-N 419.481 4.564 0 40 HJAB CCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1 5597597 OEVGKJXBFAIDER-UHFFFAOYSA-N 416.481 4.779 0 40 HJAB CN(Cc1ccc(Cl)cc1)C(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1 6086235 SQJRYLDNBJGSQK-UHFFFAOYSA-N 409.869 4.528 0 40 HJAB C[C@H](OC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc(N(C)C)cc1 6622850 NSNNKSBLVRYDOH-KRWDZBQOSA-N 404.466 4.729 0 40 HJAB O=C(COc1ccc(-c2nnco2)cc1)N(Cc1ccc(F)cc1)C1CCCCC1 6881306 LZVSOCHZFMMRBP-UHFFFAOYSA-N 409.461 4.616 0 40 HJAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(-c2nc3ccccc3s2)o1 7116606 UNVFTEFWOFMWEI-UHFFFAOYSA-N 403.463 4.935 0 40 HJAB CCCCn1c(SCc2nc(-c3ccc(F)cc3)no2)nc2ccccc2c1=O 7161132 ZCFUVGQYCGXTKU-UHFFFAOYSA-N 410.474 4.678 0 40 HJAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccccc1Cc1ccccc1 7902717 LWJJRCHFKCVLDT-UHFFFAOYSA-N 404.539 4.812 0 40 HJAB CC(C)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 7967062 JMXHLOAZZJNGSV-UHFFFAOYSA-N 420.962 4.503 0 40 HJAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(C(=O)NC2CC2)c1 8230740 GODMGHBKLVYZAZ-UHFFFAOYSA-N 411.914 4.537 0 40 HJAB COc1ccc(-c2nc(CC(=O)NCCCn3ccc4ccccc43)cs2)cc1 8708465 SEPBVCZEFJJKDS-UHFFFAOYSA-N 405.523 4.522 0 40 HJAB C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)n1nnc(-c2cccs2)n1 8745969 OWDPSTKRBBKCEX-AWEZNQCLSA-N 407.524 4.753 0 40 HJAB CCCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CC)cc1 8845827 ZUXZOIDWGRRESD-HSZRJFAPSA-N 405.498 4.916 0 40 HJAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(cc4c5c(cccc53)CC4)s2)c1 9347403 IFTFUJVMJSDPMZ-UHFFFAOYSA-N 422.531 4.594 0 40 HJAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(NC(=O)c2ccco2)cc1 9723684 JMNHJSFLCLYPIU-UHFFFAOYSA-N 421.453 4.971 0 40 HJAB CN1C(=O)c2cc(NC(=O)c3ccc(Br)o3)ccc2Oc2ccccc21 9827807 ZJYWJENHDZYIIS-UHFFFAOYSA-N 413.227 4.677 0 40 HJAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc4ccccc4c3)co2)n1 9829265 QDLFVVMKQXWTQT-UHFFFAOYSA-N 418.474 4.711 0 40 HJAB C[C@H]1CN(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)C[C@@H](C)O1 12586482 GCFMGQVXAOKFMY-CALCHBBNSA-N 408.523 4.737 0 40 HJAB CC(=O)c1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 12762795 LEIFJQIVSBTSQI-FUHWJXTLSA-N 408.523 4.672 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 12786906 AYGVFKMGMIRKRQ-HUUCEWRRSA-N 412.481 4.544 0 40 HJAB Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)n1 13009847 PLFBKVWSSWAJRK-UHFFFAOYSA-N 420.423 4.553 0 40 HJAB CC1(C)CC(N2COc3ccc4c(=O)c(-c5ccccc5)coc4c3C2)CC(C)(C)N1 13691249 SQVNWMZVQNBDCZ-UHFFFAOYSA-N 418.537 4.921 0 40 HJAB biogenic COc1ccc(OC)c(-c2csc(NC(=O)Cn3c(C)cc4ccccc43)n2)c1 15608433 PEKNYKPULKGGRT-UHFFFAOYSA-N 407.495 4.729 0 40 HJAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc(Br)cc1 17092073 DDLOMRNYEJHQRC-UHFFFAOYSA-N 420.115 4.588 0 40 HJAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccccc1-c1ccccc1 17305979 ORTCOPLRFIOKGX-IBGZPJMESA-N 411.509 4.566 0 40 HJAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1 19236842 VCDXCLFDGWAWMW-SQJMNOBHSA-N 417.528 4.912 0 40 HJAB CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccccc2)C1 19529035 DQDPZHBXDYJUCZ-MHZLTWQESA-N 412.533 4.565 0 40 HJAB Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)C(C)C)CC2)c1 19700394 LFLFPGGJQWHIBL-UHFFFAOYSA-N 406.570 4.558 0 40 HJAB COc1ccccc1-c1nnc(CSc2nnc(-c3ccc(Cl)cc3)o2)o1 19928746 SWMMYESOADRDKW-UHFFFAOYSA-N 400.847 4.741 0 40 HJAB Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)C[C@@H](c1cccs1)C2 20634911 QOIGCLBPGKHLFE-AWEZNQCLSA-N 401.495 4.754 0 40 HJAB O=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc2nsnc2c1 21595313 UBYNNRIMBILCNW-UHFFFAOYSA-N 414.446 4.942 0 40 HJAB C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Sc4ccccc4)c23)C1 25463028 URCOLTFOBLDFKR-HNNXBMFYSA-N 411.596 4.800 0 40 HJAB COc1ccccc1O[C@H](C)C(=O)N(Cc1ccc(F)cc1Cl)c1ccccn1 28293608 CBBNTDQMDOYFQK-OAHLLOKOSA-N 414.864 4.883 0 40 HJAB CCc1ccccc1N(C(C)=O)c1nc(Cn2cccc(C(F)(F)F)c2=O)cs1 31814003 FAXLUPAMDWDUQG-UHFFFAOYSA-N 421.444 4.619 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 32930138 WILGEVSRENUDRG-SFHVURJKSA-N 424.522 4.510 0 40 HJAB COc1ccc(CCN2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)cc1 35041556 JERAHZUAOCUILN-GZTJUZNOSA-N 407.919 4.932 0 40 HJAB Cc1ccc2c(c1)cc(CN(Cc1ccccc1Cl)C(=O)C1CCC1)c1nnnn12 35289177 AKYRPTDNVSQMQK-UHFFFAOYSA-N 419.916 4.568 0 40 HJAB Cc1c2c(=O)n(-c3ccccc3)nc-2cc(O)n1CCc1c[nH]c2ccc(Cl)cc12 36579861 SLDHINQWUANIQF-UHFFFAOYSA-N 418.884 4.530 0 40 HJAB COc1ccc(-c2nnc([C@@H]3CCCN(C(=O)Nc4ccccc4OC)C3)s2)cc1 36705297 IFMRPNVEZUTKIA-MRXNPFEDSA-N 424.526 4.634 0 40 HJAB O=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073417 UPFWXIKEPYQOMS-CQSZACIVSA-N 417.214 4.654 0 40 HJAB Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1NC(=O)c1ccccc1 40087020 PESNCSADIIBJDR-HSZRJFAPSA-N 418.468 4.600 0 40 HJAB CC(C)[C@@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1ccccc1 40131609 RAXRXAHFWDZUAH-HSZRJFAPSA-N 407.535 4.788 0 40 HJAB Cc1nc(-c2ccc(OCc3nc(-c4ccc(C(F)(F)F)cc4)no3)cc2)no1 41893025 INORGPWVJMTISL-UHFFFAOYSA-N 402.332 4.693 0 40 HJAB O=C(c1cccnc1Nc1cccc(F)c1)N1CCC(OCc2ccccc2)CC1 45037807 CYQBLZLHEVHCDN-UHFFFAOYSA-N 405.473 4.786 0 40 HJAB CCOc1cc([C@H]2NCc3cc(OCC)c(OCC)cc3-n3cccc32)ccc1OC 55008574 ARBJEHCUMUOEKN-RUZDIDTESA-N 422.525 4.875 0 40 HJAB Cc1ccc(F)cc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1 67293030 NEYBPVBRTZOUCH-IFMSOTMUSA-N 414.864 4.675 0 40 HJAB CC(C)(C)c1ccc(C(=O)N2[C@@H](C(=O)O)COC23CCC(C(C)(C)C)CC3)cc1 71980475 CQTANHAWAGLBCR-IQJRZOLZSA-N 401.547 4.842 0 40 HJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(F)c(Br)cc1F 95435474 MFIRGDRIIUABCA-UHFFFAOYSA-N 407.214 4.872 0 40 HJAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)ccc1Cl 222843492 UUECYXMPIAKPLK-QGZVFWFLSA-N 422.912 4.984 0 40 HJAB CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223746537 XDGHONJIITWZPB-UHFFFAOYSA-N 401.572 4.908 0 40 HJAB Cc1nc(NC(=S)NCC2(c3ccccc3)CCCC2)ccc1Br 223971448 NTQMLWTXAQKJGF-UHFFFAOYSA-N 404.377 4.951 0 40 HJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)cc1 224198492 AVCFYKFTWMSDBA-WWPVKYPJSA-N 418.566 4.548 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccco2)N1c1ccc(Br)cc1 224483331 DCWXVKGRPFRGOS-IAGOWNOFSA-N 400.301 4.614 0 40 HJAB Cc1cccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 224544686 PNYDMQLBQUBCEW-UHFFFAOYSA-N 421.368 4.709 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 225219088 KLCJPAZKOCVOKQ-JOCHJYFZSA-N 414.977 4.833 0 40 HJAB O=C(CCc1ccc(Cl)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 225376051 AQUNODWNKNIFKN-QPJJXVBHSA-N 403.353 4.784 0 40 HJAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc21 225709332 GSSXCSUNVFPDKA-UHFFFAOYSA-N 417.339 4.752 0 40 HJAB CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C(=O)OCC 225831991 OGECNACAGFGAIG-SBUREZEXSA-N 405.535 4.966 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 225861179 QEWVWAGBGSVGML-AKGOGDBKSA-N 408.498 4.844 0 40 HJAB Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(N3CCCCC3)n2)o1 225914901 KJRYQBUJMJWEAW-UHFFFAOYSA-N 423.542 4.647 0 40 HJAB O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1ccccc1C(F)(F)F 238849800 JERYUVVRSPMBLI-UHFFFAOYSA-N 420.460 4.556 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n(C)n1 257226022 FIUKXWJJGNZQEC-LJQANCHMSA-N 412.921 4.753 0 40 HJAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1C 408559872 WWSAVPLKFMEQFI-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2C)cc1Cl 408661298 FSVCQNRCPVCOFQ-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CC1CCN(c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 408706529 AWGITYKTKXEHAV-QGZVFWFLSA-N 411.933 4.568 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cc2cccc(OC)c2o1 409339557 WDHPEJCTULJQPG-UHFFFAOYSA-N 422.510 4.759 0 40 HJAB Cc1cc(C)c(C[C@H](C(=O)Nc2ccc(Cl)c(C(N)=O)c2)C(F)(F)F)c(C)c1 534402233 NOBLZOVPWDUCIB-MRXNPFEDSA-N 412.839 4.724 0 40 HJAB COc1ccccc1CNC(=O)c1sc2nc(-c3ccc(F)cc3)ccc2c1N 661617 WBLXABYNTAXIPM-UHFFFAOYSA-N 407.470 4.623 0 40 HJAB CCc1cc(OC)c(OC)cc1[C@@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1 667999 ZHWIYVHOOMFMST-HSZRJFAPSA-N 419.521 4.989 0 40 HJAB O=C(NC1CCCC1)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl 825564 FIUWTDQWELRUPY-UHFFFAOYSA-N 408.811 4.741 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2cccc(Br)c2)o1 849781 DNUAWODSKKNWEZ-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB O=C(NCc1cccs1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 865972 FXJHEMTUGNGZDD-ZBFHGGJFSA-N 424.423 4.674 0 40 HJAB COc1ccc(C)cc1NC(=O)CSc1nnc2c(C)cc3ccc(C)c(C)c3n12 903207 GTBXNLYHEMMBQX-UHFFFAOYSA-N 420.538 4.856 0 40 HJAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(Cl)cc1Cl 950966 XOQWOCYVWGQYMM-SFHVURJKSA-N 415.280 4.574 0 40 HJAB COc1ccccc1CCC(=O)N(CC(C)C)c1nnc(-c2ccc(F)cc2)s1 1356351 LHHPTIVYWRKCLR-UHFFFAOYSA-N 413.518 4.975 0 40 HJAB O=C(c1ccccc1)[C@@H](c1ccccc1)[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 1624368 DUESBWOCHRCRBK-XMSQKQJNSA-N 412.272 4.800 0 40 HJAB CN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)c1ccccc1 2624195 YECIHDARDPDWDD-UHFFFAOYSA-N 418.497 4.829 0 40 HJAB COc1ccc(C(=O)CSc2nnc(Nc3cccc(C)c3)s2)cc1OC 2632765 JIDIJCHDAWYOAW-UHFFFAOYSA-N 401.513 4.582 0 40 HJAB CCOc1ccc(-n2c(SCc3ccccc3F)nc3c(c2=O)SCC3)cc1 2719922 WBCOXOVVIDSCPY-UHFFFAOYSA-N 414.527 4.711 0 40 HJAB O=C(COC(=O)c1ccc2c(c1)-c1ccccc1C2=O)c1ccc(Br)cc1 2747604 VVPZCOCPEMKDFR-UHFFFAOYSA-N 421.246 4.700 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c1 2972297 KPTPPRJMUMLGIQ-UHFFFAOYSA-N 405.479 4.936 0 40 HJAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3-c3ccccc3)n2)cc1 3433523 DJCOBOLVGULNHF-UHFFFAOYSA-N 416.506 4.878 0 40 HJAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1nc2ccccc2c(=O)[nH]1 4278476 NBXNJIKLRLIDJO-GFCCVEGCSA-N 407.474 4.509 0 40 HJAB COc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1cccs1 4487833 SDEQWBAQRCQWPJ-UHFFFAOYSA-N 416.886 4.680 0 40 HJAB Cc1coc(C)c1C(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 4555054 GUWQNTGZNUKHOB-QHCPKHFHSA-N 409.869 4.557 0 40 HJAB CCN1CCN(c2ccc(NC(=O)COc3cccc4ccccc34)cc2Cl)CC1 4739339 FDEYHSMBRPOMJZ-UHFFFAOYSA-N 423.944 4.653 0 40 HJAB COc1cccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c1 5197692 JOMJNAJCRQKVTQ-HXUWFJFHSA-N 411.505 4.808 0 40 HJAB Cc1ccc(-c2csc(N3N=C4c5ccccc5C[C@H]4[C@@]3(O)C(F)(F)F)n2)cc1 5275027 XVRQJTVUQZTZMR-OXQOHEQNSA-N 415.440 4.766 0 40 HJAB O=C(COc1ncnc2scc(-c3ccccc3)c12)N[C@H]1CCCc2ccccc21 6051679 UQRCQWQJXQIAJT-FQEVSTJZSA-N 415.518 4.931 0 40 HJAB aggregator O=C(Nc1cccc(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6147001 CPNFTRBAOMHASZ-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB COc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3C)n2)cc1OC 6334080 XJIAFDJUIDKATB-UHFFFAOYSA-N 418.902 4.807 0 40 HJAB Cc1n[nH]c(S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)O)n1 6588340 OTMXJCFKXOZDOV-YVLHZVERSA-N 401.875 4.563 0 40 HJAB COc1ccc([C@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)c(OC)c1 6679146 IXZMWUJHEACFEH-QVKFZJNVSA-N 423.538 4.670 0 40 HJAB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)cc1C 6842336 MGJFBLPIJWTBGS-UHFFFAOYSA-N 411.457 4.784 0 40 HJAB Cc1oc2cc(OCC(=O)N[C@@H](C)c3ccco3)ccc2c(=O)c1Oc1ccccc1 7245256 FTGIDSKNBZHCRH-HNNXBMFYSA-N 419.433 4.743 0 40 HJAB O=S(=O)(N[C@H](c1ccccc1)c1cccs1)c1ccccc1Br 7702197 HMAHDNUKJAIFQB-QGZVFWFLSA-N 408.342 4.579 0 40 HJAB COc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc(Cl)c1O 8277389 FCWOGQDZORYAHP-OVCLIPMQSA-N 409.294 4.908 0 40 HJAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C 8959006 MEHLLWOYXQMVDV-UHFFFAOYSA-N 410.514 4.745 0 40 HJAB CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1cnn(Cc2ccccc2)c1 9076864 GNFDCEZQYTWTDO-UHFFFAOYSA-N 410.521 4.816 0 40 HJAB CSc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 9540093 SHCUGMWRUPNGHV-KRWDZBQOSA-N 421.444 4.694 0 40 HJAB COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccccc5)nc4c32)cc1 9584050 CSJLHLUOVRDOBC-OAQYLSRUSA-N 422.444 4.791 0 40 HJAB Cc1cccc(NC(=O)Nc2nc(CC(=O)N3c4ccccc4C[C@H]3C)cs2)c1 9784384 NSRSFWBTYGCQSX-OAHLLOKOSA-N 406.511 4.616 0 40 HJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc(I)c1 11430385 KTNAJOZCAQAHPM-UHFFFAOYSA-N 418.234 4.518 0 40 HJAB Cc1cccc(N2CCN(C(=O)c3ccccc3C(=O)c3ccc(C)c(C)c3)CC2)c1 12528497 QZNPQNATGZBTLI-UHFFFAOYSA-N 412.533 4.805 0 40 HJAB Cc1noc(C)c1CSCC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 12765926 WQAWNXOFTAYZCY-RVCSHAMNSA-N 418.562 4.938 0 40 HJAB COC(=O)c1cc(CNc2ncnc3cc(-c4ccc(F)cc4)sc23)ccc1OC 13110161 RPDSHGNHQUHREZ-UHFFFAOYSA-N 423.469 4.905 0 40 HJAB O=C(COc1cccc2ccccc12)Nc1ccccc1C(=O)NCc1ccccc1 13684139 SLOPRCCQLOAFMF-UHFFFAOYSA-N 410.473 4.787 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc(I)cc2)cc(C)c1Cl 13980121 OFLIAHTVTKODID-UHFFFAOYSA-N 415.658 4.579 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(COc2cccc(C)c2C)n1CC 14126540 XKIKVKUVPAVAKI-UHFFFAOYSA-N 424.570 4.787 0 40 HJAB CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 16690103 JXOOTDTXDUCOPV-XNJGSVPQSA-N 404.967 4.780 0 40 HJAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1nc2c(C)cc(C)cc2s1 17083295 ZKMSTNOVCOFRSP-UHFFFAOYSA-N 405.932 4.702 0 40 HJAB COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccsc2)C1 19568969 NCCGPZKAXYQFCC-WMZHIEFXSA-N 421.566 4.535 0 40 HJAB COc1ccccc1CC(=O)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 19569505 FVJHLJMYMLUXFL-UHFFFAOYSA-N 417.431 4.539 0 40 HJAB CC(C)c1nnc(CCC(=O)N2CCC[C@H]2c2ccc(Cc3cccc(F)c3)cn2)o1 19688475 MRFSLIROPXPCSF-NRFANRHFSA-N 422.504 4.614 0 40 HJAB Nc1ncnc2nc([C@H]3CCCN(Cc4ccc(Cl)cc4)C3)cc(C(F)(F)F)c12 19743219 OWKGSBIENCYALF-ZDUSSCGKSA-N 421.854 4.659 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(-c2cc(Cl)ccc2OC)o1 19929145 PIZYCBMMONTSBH-UHFFFAOYSA-N 403.891 4.692 0 40 HJAB Cc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 19946338 JPXVWZIPBHXVLG-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB Cc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)c(OCC(=O)O)c1 20158202 DKTCWIQTXZXZBR-UHFFFAOYSA-N 402.406 4.519 0 40 HJAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1 20611260 GBASECZZKMYLTH-UHFFFAOYSA-N 406.873 4.952 0 40 HJAB CCn1cc(C(=O)Nc2ccccc2Br)c(=O)c2cc(Cl)ccc21 22234869 XLYZKJBORVVDTG-UHFFFAOYSA-N 405.679 4.690 0 40 HJAB CCc1ccccc1NC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 22274065 DDBYSRPHHKEGKH-UHFFFAOYSA-N 422.550 4.645 0 40 HJAB COCc1c(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)oc2ccccc12 23955677 XXUUNOISRZQGIJ-UHFFFAOYSA-N 414.505 4.690 0 40 HJAB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cc2ccccc2c(=O)[nH]1 24283542 MDOPPWUXZDIDRR-UHFFFAOYSA-N 411.177 4.562 0 40 HJAB CCN(CCCNC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1C)c1ccccc1 25466845 MVRWNVSZYRBIAA-UHFFFAOYSA-N 404.558 4.503 0 40 HJAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)c1 26886166 DCKKZEPUGBQDLU-UHFFFAOYSA-N 423.310 4.940 0 40 HJAB Cc1ccc(Cn2cc(Br)c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)n2)cc1 28230907 ZFJLFEDZNRIKLC-QZTJIDSGSA-N 410.315 4.745 0 40 HJAB Cc1ccc(Cn2ncc3c2N=C(O)C[C@]32C(=O)N(CC(C)C)c3ccccc32)cc1 32093329 JTECBWKIRAQZKA-RUZDIDTESA-N 414.509 4.520 0 40 HJAB O=C(CSc1ncnc2ccccc12)N1N=C(c2ccco2)C[C@H]1c1cccs1 32671908 VSHRROVHTSBJFF-KRWDZBQOSA-N 420.519 4.754 0 40 HJAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccn(-c2ccc(F)cc2)n1 32801642 BRTQFJQOJXOVOS-UHFFFAOYSA-N 403.442 4.640 0 40 HJAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(F)cc2cccnc12 32825183 PAPKJTCCMWQPGL-UHFFFAOYSA-N 405.395 4.642 0 40 HJAB CN(Cc1ccccc1N1CCCCC1)C(=O)NCCSCc1cccs1 32862330 YFFCUSOFUHBXDZ-UHFFFAOYSA-N 403.617 4.813 0 40 HJAB O=C(CSCc1cc(=O)c2cc(F)ccc2[nH]1)Nc1cccc(C(F)(F)F)c1 33063868 HEDSGBDPSQNEMO-UHFFFAOYSA-N 410.392 4.558 0 40 HJAB CCOc1ccc([C@@H](NC(=O)/C=C\c2ccco2)c2ccc(OC)c(OC)c2)cc1 36089859 QEHUSASEHIDEIZ-PEBGULEFSA-N 407.466 4.615 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(C)Cc1cccc(Cl)c1Cl 36874528 XDOLBXDFMRBPKX-LJQANCHMSA-N 403.309 4.916 0 40 HJAB Cc1cccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(Cl)cc2)c1 38652949 NRDUVVOUKSGFIO-UHFFFAOYSA-N 420.943 4.787 0 40 HJAB COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1 39552183 MOULMOLVTPAARS-INIZCTEOSA-N 420.538 4.658 0 40 HJAB O=C(c1ccccc1F)N1N=C(c2ccsc2)C[C@@H]1c1ccc2nccnc2c1 39563660 WJJIRQIVUDOWNM-OAQYLSRUSA-N 402.454 4.822 0 40 HJAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2Cl)C(c2nnco2)=C(C)N1 40650924 DOHODEQEZBYMTK-INIZCTEOSA-N 408.285 4.720 0 40 HJAB in-man Cc1cc(CSc2ncccc2C(=O)NCc2cccc(COC(C)C)c2)no1 49156328 IEPQGJOGFKESMX-UHFFFAOYSA-N 411.527 4.525 0 40 HJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3Br)n[nH]2)cc1 51315509 ZFCXBJZZTGFDDB-UHFFFAOYSA-N 400.276 4.799 0 40 HJAB Cc1nc(NCCc2ccccc2)sc1C(=O)NCc1ccc(F)cc1Cl 71326494 OAYZCAACNASYKD-UHFFFAOYSA-N 403.910 4.829 0 40 HJAB O=C(CCc1cccc(Cl)c1)N1CCC[C@H](c2ccc(Nc3ncccn3)cn2)C1 72353410 KADVWLOHMJRZHQ-SFHVURJKSA-N 421.932 4.607 0 40 HJAB Cc1nc2ccc(N(C)C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)cc2[nH]1 79096842 LGTBOTOYWAEONH-UHFFFAOYSA-N 401.495 4.857 0 40 HJAB O=C(NCCc1ccccn1)c1cc2ccc(-c3ccccc3)cn2c1-c1cocn1 96155527 MQHOOARCLIHKGE-UHFFFAOYSA-N 408.461 4.629 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 222985752 ZDDWVGCCEBVYAI-OAHLLOKOSA-N 421.368 4.868 0 40 HJAB Cc1ccccc1CN(C(=O)CCSc1ccccc1)[C@H](C)C(=O)NCC(C)C 224113660 QPWQLJLYOZWPAJ-HXUWFJFHSA-N 412.599 4.667 0 40 HJAB CCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 224476632 URGVUFFJJLYUAO-GOSISDBHSA-N 422.550 4.849 0 40 HJAB O=C(CCc1ccccc1Br)NCc1cccnc1-c1ccsc1 225645921 MMDWFXPAZIKLDG-UHFFFAOYSA-N 401.329 4.822 0 40 HJAB CCOc1cc(C(=S)NCCOC)cc(Cl)c1OCc1ccc(Cl)cc1 408573775 KLIPHEKGEZXBBN-UHFFFAOYSA-N 414.354 4.883 0 40 HJAB Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)c1 408626851 IVTYEGYZGNPLFP-UHFFFAOYSA-N 402.479 4.633 0 40 HJAB O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1CC(=O)N(c1ccccc1)c1ccc2ccccc2c1 408673759 UXWDBUHBVZPYJO-OTLGMJNYSA-N 424.500 4.536 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)Nc1cccc(Cl)c1 409155571 JFFZHTVXTCJEOX-OVCLIPMQSA-N 407.278 4.668 0 40 HJAB COc1ccc2c(c1)[C@H]1O[C@@H](Cc3cccc(Cl)c3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264810 OWSISPRYKFTCPP-JYAXBFRTSA-N 416.901 4.909 0 40 HJAB CC(C)(C)OC(=O)Nc1ccccc1C(=O)Nc1cc(Br)ccc1O 1633363011 JJAMXDXREVNHAM-UHFFFAOYSA-N 407.264 4.754 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)c1 703959 IRIHGEJVERZMRA-UHFFFAOYSA-N 424.551 4.996 0 40 HJAB O=C(Nc1ccccc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1 799848 XTDOFHUEHCAISP-HMMYKYKNSA-N 421.294 4.859 0 40 HJAB CN(Cc1ccccc1)C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 827643 LLKLIAGRNLDLGL-RUZDIDTESA-N 416.546 4.733 0 40 HJAB O=C(Nc1ccc(Br)cc1)c1cc2cc(Br)ccc2oc1=O 845985 PQWSZVGJWUTMRU-UHFFFAOYSA-N 423.060 4.570 0 40 HJAB Cc1cccc(C)c1OC(=O)COc1ccc(Br)cc1Br 851401 BCUCRPBDFVMDBS-UHFFFAOYSA-N 414.093 4.813 0 40 HJAB CCOc1cc(NC(=O)c2ccccc2C)c(OCC)cc1NC(=O)c1ccncc1 881424 QEBBXYPNDBCKDN-UHFFFAOYSA-N 419.481 4.692 0 40 HJAB COc1ccccc1Oc1coc2cc(OC(=O)c3ccc(F)cc3)ccc2c1=O 1448177 GXNDPOCGPYSILD-UHFFFAOYSA-N 406.365 4.952 0 40 HJAB biogenic COc1cc2c(cc1OC)[C@]1(c3ccccc3)ON=C(c3ccccc3)N1CS2 1631877 JGYLAKQYTFXUTN-QHCPKHFHSA-N 404.491 4.662 0 40 HJAB O=C(Cc1ccccc1)Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 2257192 TYHAYHUSHNHAOQ-UHFFFAOYSA-N 405.461 4.640 0 40 HJAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCCc1nc2ccccc2s1 3248052 VOSSXWNSIHJBQW-UHFFFAOYSA-N 402.903 4.763 0 40 HJAB Cc1ccc(Oc2ccc(NC(=O)c3ccc(=O)n(Cc4ccccc4)n3)cc2)cc1 3404668 VCUMOTIFSMIVFK-UHFFFAOYSA-N 411.461 4.645 0 40 HJAB COCCCNC(=O)Cc1c(C)c2c(cc(C)c3c(-c4ccccc4)coc32)oc1=O 4089232 OYFQQIAUDLXRFO-UHFFFAOYSA-N 419.477 4.518 0 40 HJAB biogenic CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 4424455 PPZKRXFHOHDKSW-IBGZPJMESA-N 402.325 4.959 0 40 HJAB CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 4518015 PGHWXQFKHCZCPA-UHFFFAOYSA-N 408.504 4.619 0 40 HJAB Cc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)cc1Cl 4921962 XYJCOPHAJFPFSQ-UHFFFAOYSA-N 407.901 4.825 0 40 HJAB COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(Cl)c1OC(C)C 5938296 LZVITKLSRPXUQG-UHFFFAOYSA-N 416.949 4.530 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 6336585 MMELPNMSYCSWMO-UHFFFAOYSA-N 402.479 4.812 0 40 HJAB COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCC[C@@H]4[C@@H]3C2=O)cc1 6411286 GECBHJXRQAUPDJ-CTOYSFNJSA-N 400.478 4.737 0 40 HJAB Cc1cccc(C)c1-n1nnnc1SCC(=O)N(c1ccccc1)C1CCCCC1 6586977 OYCUCRHJFJHEPU-UHFFFAOYSA-N 421.570 4.737 0 40 HJAB CCN(CC)C(=S)S[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 7779585 BKYGAGVHBGCQJN-SNVBAGLBSA-N 415.556 4.775 0 40 HJAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccc(-c2ccccc2)cc1 8230519 YMXVZZUITCXAJX-RUZDIDTESA-N 412.489 4.626 0 40 HJAB CC(C)(C)c1ccc(NC(=O)CSc2nnc(-c3n[nH]c4ccccc34)o2)cc1 8685869 MMLVCVOQPCJIST-UHFFFAOYSA-N 407.499 4.641 0 40 HJAB Cc1ccc(CSCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 9063203 MZHIFYIXUMSUQQ-UHFFFAOYSA-N 417.018 4.910 0 40 HJAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccccc3Br)ccc21 9137708 MBGLTMUPSITKET-UHFFFAOYSA-N 401.304 4.637 0 40 HJAB Cc1cc(C)c(C(=O)Nc2cccc(Cl)c2)c(SCC(=O)NC(C)(C)C)n1 9250218 VXSSWNPBQJNUPB-UHFFFAOYSA-N 405.951 4.611 0 40 HJAB Cc1cc2nc(Nc3nc(C)c(Cc4ccccc4Cl)c(=O)[nH]3)nc(C)c2cc1C 9288012 TZVXGAGVBKBBFA-UHFFFAOYSA-N 419.916 4.935 0 40 HJAB O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)N1CCCCCC1 9575287 KZHHWVQXOWEISB-UHFFFAOYSA-N 411.885 4.895 0 40 HJAB Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O 10331801 KBKUGCGENCYVCZ-UHFFFAOYSA-N 422.978 4.957 0 40 HJAB CSc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1 10370049 HTWDLMHRQOSBIS-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2c[nH]nc2-c2cccnc2)cc1 10950367 FLEKRLVIRMOSHE-HSZRJFAPSA-N 411.465 4.642 0 40 HJAB CCCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 12062996 XHTUSDBBLWMXOK-ZDUSSCGKSA-N 401.850 4.585 0 40 HJAB CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)C4CCCC4)n3)ccc21 12220030 XJCGJGIEJOKTBU-UHFFFAOYSA-N 411.571 4.898 0 40 HJAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4cc(C)c(C)s4)C3)cc2n1 12257763 GFJGDZJKNFZIIT-AWEZNQCLSA-N 422.476 4.755 0 40 HJAB O=C1C[C@H](c2ccccc2F)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 12375460 VTTBLDXGVSJLLG-CQSZACIVSA-N 421.902 4.848 0 40 HJAB COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2c1cnn2-c1ccc(F)cc1 12396227 JQSGPROBTOTNEJ-UHFFFAOYSA-N 413.355 4.615 0 40 HJAB COc1cccc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)c1OC 12441706 FQWIOXGSNQRRTF-UHFFFAOYSA-N 420.494 4.574 0 40 HJAB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(c2cccc(Cl)c2)CC1 12555083 GIATWRODPKVTJL-UHFFFAOYSA-N 401.894 4.565 0 40 HJAB CCOc1ccc(C2=Nc3ccc(Br)cc3C(c3cccnc3)=NN2)cc1 12707589 ZMUAOPHRMGQCNH-UHFFFAOYSA-N 421.298 4.677 0 40 HJAB CCCCOC(=O)CSc1nc(NC(=O)c2ccccc2)c2c(C)c(C)oc2n1 12791427 HZMCJFJHTVSJNM-UHFFFAOYSA-N 413.499 4.527 0 40 HJAB C[C@@H]1CCCN(C(=O)CSc2nnc(Cc3cccs3)n2C2CCCCC2)C1 12793415 JTBDZVIJRVSPQM-MRXNPFEDSA-N 418.632 4.786 0 40 HJAB CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc(Cl)cc1 13880374 QNQHHIKFVDQPPU-UHFFFAOYSA-N 420.296 4.859 0 40 HJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 14398520 IOCGVULKJILVJS-KRWDZBQOSA-N 400.950 4.754 0 40 HJAB CCc1cccc(CC)c1Nc1nnc(S[C@@H](C)C(=O)NCC(F)(F)F)s1 14676425 NCVTXQJDQJJROO-JTQLQIEISA-N 418.510 4.566 0 40 HJAB Cc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1Cl 16312943 SSAPQALXKLTWEJ-UHFFFAOYSA-N 420.962 4.611 0 40 HJAB CCCOC(=O)c1ccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 17090080 HKVVFPYNNCMBJF-UHFFFAOYSA-N 414.571 4.673 0 40 HJAB O=C(c1cccnc1)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 19337479 PWNJWLAAUPRZDA-CQSZACIVSA-N 418.444 4.639 0 40 HJAB COc1cccc2cc(C(=O)Nc3c(C)nn(Cc4ccc(F)cc4)c3C)c(C)nc12 19715218 MUGYZLPLHKZYBO-UHFFFAOYSA-N 418.472 4.805 0 40 HJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 22516726 PZWCPWIHXJOPBG-NRFANRHFSA-N 420.475 4.828 0 40 HJAB Cc1cccn2c(NC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)c(-c3ccccc3)nc12 25905208 BZNKKIKZVNHCMB-SFHVURJKSA-N 414.440 4.513 0 40 HJAB C[C@H](OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)N1CCCc2ccccc21 26412799 DINZTIOUHRKVJP-INIZCTEOSA-N 424.497 4.558 0 40 HJAB CC(C)c1noc([C@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)n1 27776509 AFKMTEIEWZMXAU-STQMWFEESA-N 405.549 4.545 0 40 HJAB CCc1ccc(NC(=O)c2nnc(CN3CCC[C@H]3c3ccc(OC)cc3)s2)cc1 29701299 UJACJZHHFXYCGQ-FQEVSTJZSA-N 422.554 4.699 0 40 HJAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 32622707 SEUVIZUTLKZQBZ-INIZCTEOSA-N 415.449 4.818 0 40 HJAB Cc1nn(-c2ccccc2)nc1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 32996028 TYOULMFBPWFYAL-JOCHJYFZSA-N 421.504 4.619 0 40 HJAB COc1ccc(NC(=O)CSc2ncnc3c2[nH]c2ccc(C)cc23)cc1Cl 33172485 SIXZUIZFYHPNNM-UHFFFAOYSA-N 412.902 4.812 0 40 HJAB CCOC(=O)c1csc(-n2nc3c(c2C(F)(F)F)CCC[C@H]3C(C)(C)C)n1 33436055 ZACHNGHMCSEJFG-LLVKDONJSA-N 401.454 4.990 0 40 HJAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(Cl)c(C(F)(F)F)c1 36652344 IAOKPGNGHZLWKF-NSHDSACASA-N 411.811 4.535 0 40 HJAB Cc1nn2c(nnc3c(=O)n([C@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40391929 UKBHWVYEBGVLHQ-DEYYWGMASA-N 405.477 4.551 0 40 HJAB CSc1ccccc1CN1CCC(CNC(=O)Cc2ccccc2Cl)CC1 43991279 DNYWDFUXKJDXEJ-UHFFFAOYSA-N 402.991 4.633 0 40 HJAB Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccnc1SC(F)(F)F 50382014 XXVXBUDTTHLDQM-UHFFFAOYSA-N 411.449 4.640 0 40 HJAB Cc1cc(I)ccc1NC(=O)[C@H](C)SCc1ccccc1 69507838 YKLVJAZSPDUGTR-ZDUSSCGKSA-N 411.308 4.860 0 40 HJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCNC(=O)OCc1ccccc1 71844202 YKWMEDUVWNNPKE-PKTZIBPZSA-N 408.542 4.878 0 40 HJAB COc1cccc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)c1 72228681 HXYWSYCZUYIMLX-UHFFFAOYSA-N 406.511 4.977 0 40 HJAB COc1cccc(Cc2cccc([C@@H]3CCCN3C(=O)CCc3ccccc3)n2)c1 72357768 NLFSOPVSQXVQEF-VWLOTQADSA-N 400.522 4.977 0 40 HJAB CC(C)Cn1ncc(NC(=O)[C@H](OCC(F)(F)F)c2ccccc2)c1C(F)F 89856651 FDLCLKPDTAHKCM-OAHLLOKOSA-N 405.367 4.735 0 40 HJAB NC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 95465136 QBIWZEGHVKJQOR-HZPDHXFCSA-N 411.893 4.619 0 40 HJAB COc1ccc(Cc2nnc(NC(=O)c3nc(Cl)sc3C(C)C)s2)cc1 95478649 YBMOCKFRFXTJMD-UHFFFAOYSA-N 408.936 4.623 0 40 HJAB O=C1Nc2cccnc2Sc2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc21 96230822 GEGUNPJJCGVGPQ-UHFFFAOYSA-N 417.277 4.753 0 40 HJAB CCOc1ccccc1CCCNC(=O)COc1ccc(CC)cc1Br 218865083 DISQHZVRBIFYQS-UHFFFAOYSA-N 420.347 4.538 0 40 HJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 219304663 MOAFRXQUEWFMOJ-INIZCTEOSA-N 413.905 4.741 0 40 HJAB CC(C)Oc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 223709360 POGHIMFGCNANHL-HKWRFOASSA-N 406.507 4.945 0 40 HJAB Cc1cc(C)cc(OCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 224095108 POWUZEKWGUFENP-UHFFFAOYSA-N 418.940 4.503 0 40 HJAB Cc1ccc(C(=O)NCc2ccc(C(C)C)cc2)cc1NS(=O)(=O)c1ccccc1 224099056 FYJYHLZOTFDWDI-UHFFFAOYSA-N 422.550 4.849 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 224224219 SFECRPASETYSDF-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2C)cc1 224304941 FQVFRXDYCBJIGL-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C 224623605 XYXRVOZFOGDZQN-XMMPIXPASA-N 408.586 4.734 0 40 HJAB Cc1ccccc1CN(C(=O)COc1ccccc1C)[C@H](C)C(=O)NC1CCCCC1 224677635 OERWCLAYWSKUSG-OAQYLSRUSA-N 422.569 4.548 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C)cc1 224929590 YPYASRZHJYQQBM-DEOSSOPVSA-N 424.585 4.516 0 40 HJAB CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225248180 NIVPOUMEJONGPS-XMMPIXPASA-N 406.570 4.876 0 40 HJAB C[C@@H](CCc1ccccc1)NC(=O)c1snnc1-c1ccc(Br)cc1 225786207 OGZIARFBJPBUCD-ZDUSSCGKSA-N 416.344 4.719 0 40 HJAB CCOc1cccc(CN2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 257222081 DRUWDVFPQUTCFQ-IBGZPJMESA-N 411.546 4.515 0 40 HJAB FC(F)(F)c1cccc(Cc2ccc([C@@H]3CN(Cc4ccncc4)CCO3)nc2)c1 257316282 VEXXQDXSRXIEPI-QFIPXVFZSA-N 413.443 4.660 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(Cl)cn3)N21 260755978 CPDXFKXKNFYYKO-YSGRDPCXSA-N 409.946 4.900 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1Cc1cccnc1 260756003 CVGLJZPKXGQJAF-NPFVIJTESA-N 403.555 4.533 0 40 HJAB Cc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)c(Cl)c1 408564221 WIGWQAAVIRYNQF-QGZVFWFLSA-N 417.214 4.803 0 40 HJAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F 408598209 YAESSKVMHJNMKW-UHFFFAOYSA-N 400.205 4.822 0 40 HJAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)C1=O 409015703 RVSRDFSFKRLNSZ-RBYWHNRPSA-N 424.522 4.847 0 40 HJAB CC(C)(C)n1ncc(C(=O)N2CCCO[C@@H](c3ccccc3)C2)c1-c1ccccc1 683114801 QFDZXUDQDOLHTJ-JOCHJYFZSA-N 403.526 4.909 0 40 HJAB COC(=O)c1cc2cc(NC(=O)NCCOc3ccc(C(C)(C)C)cc3)ccc2o1 1562185576 LKFWYJIXDRUGBU-UHFFFAOYSA-N 410.470 4.717 0 40 HJAB Cc1ccc(Cl)cc1Oc1ccccc1CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 1644666642 CMLDZELGORDPSY-MRXNPFEDSA-N 409.917 4.927 0 40 HJAB Cc1cc(Br)ccc1NC(=O)c1ccccc1I 834206 BSGMWFKRWJNIPI-UHFFFAOYSA-N 416.056 4.614 0 40 HJAB Cc1ccc(OC(=O)COc2ccc(Br)cc2Br)cc1C 851404 VDZCWTOHUQMGHB-UHFFFAOYSA-N 414.093 4.813 0 40 HJAB CCOc1ccc2cc3c(N)c(C(=O)Nc4cc(OC)ccc4OC)sc3nc2c1 891607 WXHDYZHFTIOVJB-UHFFFAOYSA-N 423.494 4.700 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(O)cc1 907359 ZOZNEYYEJVYSQT-UHFFFAOYSA-N 423.325 4.708 0 40 HJAB CCOc1ccc(N2C3=[N+](CCCCC3)[C@@H](C)[C@]2(O)c2ccc(OCC)cc2)cc1 1823493 KHAGOYMERVMYHY-DFBJGRDBSA-N 409.550 4.523 0 40 HJAB Cc1ccc(-n2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)cc1C 2375735 LUDANZFYAKXQDQ-UHFFFAOYSA-N 413.525 4.835 0 40 HJAB Cc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3ccc(F)cc3)CC4=O)nc(C)c2c1 2380867 BZHSRMOJCDCXRG-MRXNPFEDSA-N 413.456 4.832 0 40 HJAB Cc1ccc(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)cc1 2715871 FZHDUPSBYOMICT-UHFFFAOYSA-N 412.898 4.984 0 40 HJAB COc1cccc(-n2ccnc2SCC(=O)Nc2nc3ccc(C)cc3s2)c1 2723138 KUNAQNCVAGXXGQ-UHFFFAOYSA-N 410.524 4.530 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 3224928 QRPPWKOLXGUEMX-UHFFFAOYSA-N 421.880 4.983 0 40 HJAB O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1ccc(F)c(Cl)c1 3319257 CIWJUAZQWFBXLA-UHFFFAOYSA-N 406.866 4.593 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 3377091 XHFPKKXBCNXIPK-NSHDSACASA-N 419.337 4.848 0 40 HJAB COc1cccc(C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)c1OC 4162438 IUIUQQRCFHAUTC-UHFFFAOYSA-N 416.433 4.955 0 40 HJAB Cc1c(-c2ccccc2)c(=O)oc2cc(OC(=O)c3ccc4c(c3)OCO4)ccc12 4340256 XBSQNHDIMAIRGV-UHFFFAOYSA-N 400.386 4.716 0 40 HJAB biogenic O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccc(Br)cc2)cc1 4350437 FGBVKXWLWDKMKY-ATNYCFDYSA-N 410.267 4.553 0 40 HJAB CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 4911153 FZZRORTWRRRVHV-KRWDZBQOSA-N 413.514 4.990 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2cccc(Cl)c2)NC(=O)N1 5517140 AJEAPPDLNAZKFB-INIZCTEOSA-N 409.795 4.625 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)o2)cc1 5864509 XIKFISFUYVVTHF-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB Cc1cccc(Nc2nnc(SCC(=O)Nc3cc(F)ccc3F)s2)c1C 6623626 ONOBZBSOTAXAMY-UHFFFAOYSA-N 406.483 4.908 0 40 HJAB COc1c(Br)cc(Br)cc1C(=S)N1CCC(C)CC1 6634556 SRNGNCDWHZHMNE-UHFFFAOYSA-N 407.171 4.628 0 40 HJAB COc1ccccc1NC(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl 6747986 OMEPUDUAKUQACL-UHFFFAOYSA-N 403.866 4.822 0 40 HJAB CCN(CC)C(=S)S[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 7779584 BKYGAGVHBGCQJN-JTQLQIEISA-N 415.556 4.775 0 40 HJAB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1)c1cccc(Cl)c1 9062122 WPVKHTMDHWSCMC-UHFFFAOYSA-N 418.840 4.895 0 40 HJAB CCN1C(=O)c2cc(NC(=O)COc3ccccc3C)ccc2Oc2ccccc21 9134723 UNWQUZNHTVILIL-UHFFFAOYSA-N 402.450 4.785 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1 9167431 LUEOTXDWPJLGLW-UHFFFAOYSA-N 416.459 4.631 0 40 HJAB COc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)c3ccc(C)cc3)c3ncnn32)cc1 9288974 ZFQYQAOTOKLACP-DNQXCXABSA-N 424.504 4.976 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 9517695 NZFYERBFCFANLF-UHFFFAOYSA-N 423.929 4.817 0 40 HJAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CC=C(c2ccccc2)CC1 9603626 ZADLWJQXXIUADP-UHFFFAOYSA-N 406.489 4.864 0 40 HJAB C[C@@H](Sc1nnnn1Cc1cccs1)C(=O)Nc1ccccc1-c1ccccc1 9835099 LPRJQOZGTJQRHR-OAHLLOKOSA-N 421.551 4.569 0 40 HJAB OC1(Cn2cccc3cc(C(F)(F)F)nc2-3)CCN(Cc2ccc(Cl)cc2)CC1 12158771 STGMOXKOPGJLHV-UHFFFAOYSA-N 423.866 4.687 0 40 HJAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(C(C)C)cc1Cl 12785912 WOVOJFMZVPPYFX-INIZCTEOSA-N 412.921 4.609 0 40 HJAB COC(=O)c1cccc(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)c1 12858857 PGMSITUQWVAWHC-UHFFFAOYSA-N 421.478 4.915 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1ccccc1C)CC2 12911947 WDZKBAXAQKOVKO-AREMUKBSSA-N 416.521 4.598 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 13148624 ALUOOOJAMFMUJV-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)c3cc(C(C)C)on3)cc2)n1 13228157 URRWHUGQHWCESC-UHFFFAOYSA-N 413.481 4.555 0 40 HJAB COc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2cccc(C)c2C)cc1 15413224 PAGGDTNADAPYSB-VWLOTQADSA-N 414.505 4.742 0 40 HJAB FC(F)(F)c1cc(Br)nc2c(I)cccc12 16159945 NAXMHUNFVJEUMS-UHFFFAOYSA-N 401.951 4.621 0 40 HJAB Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Cl)cc1)SC(N)=N2 16958342 USKWMDLUGKCETH-MRXNPFEDSA-N 417.321 4.969 0 40 HJAB CCOc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 17087418 FHSCENXASYOJPC-UHFFFAOYSA-N 406.507 4.791 0 40 HJAB Cc1cc(NC(=S)NC(=O)c2ccccc2F)cc(-c2nc3ccccc3o2)c1O 17092659 BQKOZVVBXUIZIG-UHFFFAOYSA-N 421.453 4.775 0 40 HJAB Cc1nc([C@@]2(O)CCCN(C3CCCC3)CC2)sc1COc1ccc(F)c(F)c1 19705242 RJMVGMWVBYADFM-JOCHJYFZSA-N 422.541 4.925 0 40 HJAB Brc1ccc(-c2nnc3sc(CNCCc4ccccc4)cn23)cc1 20605403 ASVHLNPWXCMQSU-UHFFFAOYSA-N 413.344 4.553 0 40 HJAB COc1ccccc1CNC(=O)c1cccnc1Nc1ccc(C(F)(F)F)cc1 22073017 AINHZEOLAGKCLK-UHFFFAOYSA-N 401.388 4.783 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)CCN2CCC(c3nc4ccccc4s3)CC2)c1 23828726 HIBWLGSRCPALAG-UHFFFAOYSA-N 414.596 4.566 0 40 HJAB CCc1noc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)n1 24841398 VNHVMSPDRULBTD-UHFFFAOYSA-N 411.918 4.885 0 40 HJAB Cc1ccc(CNC[C@H](NS(=O)(=O)c2ccc(Cl)s2)c2ccccc2)cc1 25777624 HCZRMDDKSXZBEX-SFHVURJKSA-N 420.987 4.519 0 40 HJAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)N3CCCCC3)no2)cc1C 32623332 UWBYWRGTXOHWRC-HXUWFJFHSA-N 409.555 4.977 0 40 HJAB Cc1ccc(NC(=O)[C@H]2CCCN(c3ncccc3Cl)C2)c(Br)c1 40134941 NLGAXANSZIHYGO-ZDUSSCGKSA-N 408.727 4.661 0 40 HJAB O=C(CSc1nnc(S)n1-c1ccccc1)Nc1c(Cl)cccc1Cl 41124531 ACKUBDXNWQFMFQ-UHFFFAOYSA-N 411.339 4.594 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCOc1cc(Cl)ccc1Cl 48326545 DADSKKHJGUPSDC-UHFFFAOYSA-N 418.324 4.666 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nc2ccsc2c(=O)n1CC(C)C 57426249 YRAWMWOICLXPGC-UHFFFAOYSA-N 415.584 4.716 0 40 HJAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1Cl 57561411 MULYHHMYXYORMP-UHFFFAOYSA-N 405.929 4.915 0 40 HJAB FC(F)(F)c1nc2cc3c(cc2n1Cc1ccc(Br)cc1)OCCO3 64657170 DABCVGRZZZXCPQ-UHFFFAOYSA-N 413.193 4.637 0 40 HJAB COC(=O)CC(=O)C[C@H](O)/C=C\c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C 71624851 GARMPDXDAZRRAW-SYGIOELKSA-N 423.484 4.925 0 40 HJAB Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)[C@H]2C[C@H]2C)CC1 72345144 UFYAFHFZHSSJTK-YKSBVNFPSA-N 418.581 4.558 0 40 HJAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1 72353999 IFBAXBNYJYPUNE-FQEVSTJZSA-N 422.960 4.696 0 40 HJAB COc1ccc(-c2nc(NC(=O)c3cnn(-c4ccccc4C)c3)sc2C)cc1 78989368 ASHMXBVCAUDZSN-UHFFFAOYSA-N 404.495 4.874 0 40 HJAB O=C(c1ccccc1CN1CCC2(CC1)OCCO2)c1cccc(Cl)c1Cl 85651603 CVVCXJPWSQZXEO-UHFFFAOYSA-N 406.309 4.563 0 40 HJAB COc1ccc(-c2ncnc3c2c(C(=O)Nc2ccc(C)nc2)c2ccccn23)cc1 96146688 ZQOHRHCZPVOOQY-UHFFFAOYSA-N 409.449 4.514 0 40 HJAB O=C(NCc1cccc2ccccc12)NCC1(Sc2ccccc2)CCOCC1 96331375 MTBLJKUMXWXMHZ-UHFFFAOYSA-N 406.551 4.981 0 40 HJAB CCSc1nc2n(n1)[C@H](c1cc(OC)ccc1OC)C1=C(O)CC(C)(C)CC1=N2 102671680 RCBUWLCAALWKLV-GOSISDBHSA-N 414.531 4.715 0 40 HJAB COc1ccc(-c2csc(C3=C(O)CN(c4ccc(OC)c(OC)c4)C3=N)n2)cc1 102728883 OROZDVWTQDJDPY-UHFFFAOYSA-N 423.494 4.602 0 40 HJAB CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]2ON1c1ccccc1 102736795 ZWVOJGSNYJKDCJ-RLLPEYFOSA-N 406.526 4.890 0 40 HJAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3C)C2=O)cc1 102761346 IDGCKJXQNAKQSW-KMDXXIMOSA-N 412.489 4.609 0 40 HJAB Cc1cccc(CN2CCC(C(=O)NCCOc3cccc4ccccc34)CC2)c1 223554755 SAJFFXGPZJUIGB-UHFFFAOYSA-N 402.538 4.555 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 223716074 SALZFOJKKLLSRU-QGZVFWFLSA-N 418.990 4.517 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 223763100 ZJGVVOLNCIDLMG-SFHVURJKSA-N 414.977 4.949 0 40 HJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 223954320 WWPGPFWGIMSAPJ-IBGZPJMESA-N 410.558 4.997 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 224217560 RDNKMZHALFEEHK-XMMPIXPASA-N 408.586 4.995 0 40 HJAB CCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224320625 DWKFSXNXEIJCPZ-FQEVSTJZSA-N 400.950 4.605 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 225158732 TZWLEYSQVLCDFH-LJQANCHMSA-N 414.977 4.833 0 40 HJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCC 225398379 KCBCUQRNIOPSBS-JOCHJYFZSA-N 414.977 4.996 0 40 HJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225734623 SQVMYWLVQCQDPP-HYBUGGRVSA-N 404.595 4.967 0 40 HJAB NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccc(Br)cc12 226360208 AXVJVCREJAFBKL-UHFFFAOYSA-N 406.077 4.526 0 40 HJAB C[C@@H]1[C@@H](n2ccc3c(nnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)CCC[C@H]1C 253565225 HLOYQJFECJUBSL-GLJUWKHASA-N 407.905 4.757 0 40 HJAB CN[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)NC)[C@@H](O)C[C@]4(C)[C@H]3CC[C@H]2C1(C)C 253589692 LNZWKBNRYPYFPA-CYVWTEDLSA-N 404.683 4.838 0 40 HJAB Cc1ccccc1N1CCC(N(CC(=O)O)Cc2ccc(Cl)c(Cl)c2)CC1 257328912 XHOYJQCUIOQZOJ-UHFFFAOYSA-N 407.341 4.857 0 40 HJAB CC(C)n1cc(CN2CCC[C@H](c3nc4ccc(-c5cccs5)cn4n3)C2)cn1 306127446 FYTKSXZBOUFSAW-IBGZPJMESA-N 406.559 4.615 0 40 HJAB Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 408736597 DHKKLOVCNMOHIZ-RXVVDRJESA-N 412.530 4.741 0 40 HJAB CCCN(CCC)C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 409201414 MOIUOVRZFDVQNO-UHFFFAOYSA-N 408.571 4.599 0 40 HJAB Cc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O 409366778 WAROCWJGMBXFEH-DEDYPNTBSA-N 402.475 4.823 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2Cl)c1 409412161 SJQNWNULLSNDGF-UHFFFAOYSA-N 422.978 4.860 0 40 HJAB Cc1noc(C)c1CN1C(=O)CC[C@]12CCCN(Cc1ccc(C(C)C)cc1)CC2 585099800 BFDZBABCENNJJE-VWLOTQADSA-N 409.574 4.962 0 40 HJAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)N3CCCc4ccccc43)n12 929708 GYCYTAFFNGEHDX-UHFFFAOYSA-N 416.550 4.879 0 40 HJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 991966 FYLDUUCQPIEBNN-UHFFFAOYSA-N 416.886 4.892 0 40 HJAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)Nc1ccccc1C 1353537 LDBWDIMSUIHIOK-UHFFFAOYSA-N 419.456 4.695 0 40 HJAB Cc1ccc(-c2nsc3c(SCC(=O)N4[C@@H](C)CCC[C@@H]4C)ncnc23)cc1 1358714 LCJYYZHNMVFBIK-GJZGRUSLSA-N 412.584 4.943 0 40 HJAB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)N1CCN(c2ccccc2F)CC1 1383630 GYSIYYCHPQOMEB-NTCAYCPXSA-N 416.496 4.767 0 40 HJAB CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc(Cl)c1-c1ccccc1 1465986 IEGFWGBRHPDATH-UHFFFAOYSA-N 406.935 4.670 0 40 HJAB CN(C)C(=O)[C@@H](c1ccccc1)C(c1ccccc1)[C@@H](C(=O)N(C)C)c1ccccc1 1717694 HVCLVYPRLVRRIB-DQEYMECFSA-N 414.549 4.514 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2C)c1 2237231 WWDZRKWIMYCLPS-UHFFFAOYSA-N 406.433 4.540 0 40 HJAB O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccc(Cl)cc1Cl 2515252 YBMLPWLXOYGIIL-UHFFFAOYSA-N 406.309 4.563 0 40 HJAB CCOc1ccccc1N1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)CC1 2644153 MVNGAGVNGPMKHC-GOSISDBHSA-N 417.553 4.654 0 40 HJAB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4ccc(C)cc4)c3n2)cc1 2770275 WSRYVPSONVUFMY-UHFFFAOYSA-N 422.435 4.581 0 40 HJAB CC(C)N(C(=O)COC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 3290794 XFKNOBVVNAGECU-UHFFFAOYSA-N 401.462 4.909 0 40 HJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1ccc(Cl)cc1Cl 3301696 JZZZTIAUMSGBLT-UHFFFAOYSA-N 415.276 4.826 0 40 HJAB COc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3ccccc3F)n2)cc1 4169391 WADIRGDZYGASFZ-UHFFFAOYSA-N 413.518 4.556 0 40 HJAB CC(=O)Nc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1 5283571 RATQGECRWVCDBX-HAHDFKILSA-N 412.445 4.569 0 40 HJAB C[C@@H](OC(=O)CCc1ccccc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 5367733 HRMLCRCZRBTVDU-CYBMUJFWSA-N 416.449 4.591 0 40 HJAB O=S(=O)(c1cccc(-c2nnc(SCC3CCCCC3)o2)c1)N1CCCCC1 6054831 TWLKJJDMGVGLNV-UHFFFAOYSA-N 421.588 4.584 0 40 HJAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=S)Nc2ccccc2F)cc1 6583997 HGYZJMWWIYHLIJ-GJZGRUSLSA-N 421.563 4.586 0 40 HJAB CCCOc1ccc(-c2nonc2NC(=O)c2cccc(OC)c2)cc1OCCC 6811500 LYGLBZFLOIFQOV-UHFFFAOYSA-N 411.458 4.575 0 40 HJAB O=C(COC(=O)c1ccc2ccccc2n1)c1ccc(NC(=O)c2ccccc2)cc1 7122793 WSEOJDMNQGWNRR-UHFFFAOYSA-N 410.429 4.527 0 40 HJAB COc1ccc([C@H](CN[C@@H](C)C(=O)Nc2ccccc2)c2c[nH]c3ccccc23)cc1 7546564 CWFUKMUVVOLMTD-MBSDFSHPSA-N 413.521 4.925 0 40 HJAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1sc2cc(F)ccc2c1Cl 7654753 OCQXTBZKXGXHHC-UHFFFAOYSA-N 404.802 4.863 0 40 HJAB COc1cc(OC)c([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc1OC 7884587 ICQSJBYRWUGLGF-XMMPIXPASA-N 418.493 4.522 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 8074051 ZDTCOYRLNAKBSP-QRWLVFNGSA-N 410.539 4.885 0 40 HJAB COc1cc(/C=C/C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc(OC)c1OC 8128415 GRXUKVBEASJSLV-VNDWYCCKSA-N 412.511 4.555 0 40 HJAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1c(Cl)cccc1Cl 8310382 AOVGLVLZOYAGCV-QGZVFWFLSA-N 421.324 4.930 0 40 HJAB COc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)c(OC)c1 8718867 GZQFLRDUERGORJ-UHFFFAOYSA-N 404.488 4.697 0 40 HJAB Cc1cccc(C)c1NC(=O)CNC(=O)Cn1c(-c2ccccc2)cc2ccccc21 8747492 YLXKXODTPIPXRV-UHFFFAOYSA-N 411.505 4.680 0 40 HJAB C[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccc2c(c1)OCCO2 8986946 JMQYAGMFQAOTCE-CYBMUJFWSA-N 406.463 4.819 0 40 HJAB O=C(/C=C/c1ccco1)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 9062183 ASPXEHPOIIGKJV-VAWYXSNFSA-N 416.462 4.702 0 40 HJAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1ccccc1Br 9198327 GSRZOUICIPTUAH-UHFFFAOYSA-N 423.723 4.618 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1 9469650 UHBIYJYMTHTXID-UHFFFAOYSA-N 424.504 4.547 0 40 HJAB COc1ccccc1[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc(C)c2)c2ncnn21 10060406 LHPTXKOBYJDALC-XZOQPEGZSA-N 424.504 4.976 0 40 HJAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl 10314189 VGNJIMSQXZMRMY-UHFFFAOYSA-N 407.706 4.579 0 40 HJAB COc1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)cc1OC 10642186 OBGNVYAQFJAQNM-UHFFFAOYSA-N 409.467 4.838 0 40 HJAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1 10729910 FPSPLRYBSQJBFE-UHFFFAOYSA-N 403.059 4.551 0 40 HJAB CCOC(=O)Nc1ccc2c(COC(=O)c3ccc(F)cc3Cl)cc(=O)oc2c1 11445555 NVOZABCRSOPDIE-UHFFFAOYSA-N 419.792 4.511 0 40 HJAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)c1 12447738 XWKYOYYVWAOZGC-FQEVSTJZSA-N 411.505 4.922 0 40 HJAB O[C@H](COc1cccc2ccccc12)Cn1c(-c2cscn2)nc2ccccc21 12541265 SWWVESSJJNLJAV-KRWDZBQOSA-N 401.491 4.753 0 40 HJAB CCc1ccc(-c2nc3n(n2)C(=O)N[C@](c2ccccc2)(C(F)(F)F)S3)cc1 12788558 KMZVVLJISSNSRT-SFHVURJKSA-N 404.417 4.586 0 40 HJAB COc1ccc(C=C(C(=O)Nc2ccccc2C)C(=O)Nc2ccccc2C)cc1O 13041629 CQOQOQLOGGDHNX-UHFFFAOYSA-N 416.477 4.678 0 40 HJAB COc1ccc([C@@H]2Nn3c(nnc3C(C)(C)C)S[C@H]2C(=O)c2ccc(C)cc2)cc1 13150373 BTMRSCOHDHNIBH-AZUAARDMSA-N 422.554 4.535 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)c1ccc(F)cc1 13265945 LMXWYYPTYVVDRN-UHFFFAOYSA-N 421.497 4.891 0 40 HJAB COc1ccc2cc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)ccc2c1 14242424 LSDCVXDOWCYJOK-JOCHJYFZSA-N 403.478 4.987 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 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GCRZFKIHBKWTAJ-UHFFFAOYSA-N 404.514 4.570 0 40 HJAB C[C@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)Nc1ccc(F)c(F)c1F 36203540 LHLRCEJDGBPVBJ-NSHDSACASA-N 416.399 4.648 0 40 HJAB CC(=O)Nc1ccc(OC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 40050847 RGHYPPZBZJQWSI-UHFFFAOYSA-N 411.461 4.776 0 40 HJAB O=c1c2nnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCC1=CCCCC1 40392391 LJRIYAXYXORLAC-UHFFFAOYSA-N 405.889 4.650 0 40 HJAB COc1ccccc1NC(=O)CSC1=NC2(CCCCC2)N=C1c1cccs1 46022297 BZWSJIXQWSILJB-UHFFFAOYSA-N 413.568 4.990 0 40 HJAB COc1cc(CNC(=O)c2cccc(-n3ccc4ccccc43)c2)cc(OC)c1OC 49027551 GCIJNYIGJFXSSL-UHFFFAOYSA-N 416.477 4.586 0 40 HJAB COC(=O)c1cccc(Nc2c(-c3nc(C(C)C)no3)cnc3nc(C)ccc23)c1 49420755 CWVJGUHMAZBMIE-UHFFFAOYSA-N 403.442 4.642 0 40 HJAB FC(F)(F)c1nc(-n2cc(-c3cnn(Cc4ccccc4)c3)cn2)c2ccccc2n1 49597260 QIYFZQAWSOIYCP-UHFFFAOYSA-N 420.398 4.746 0 40 HJAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 57718057 CPHFZLPQLUJFSY-ZDUSSCGKSA-N 408.449 4.700 0 40 HJAB O=C(COc1ccccc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 72349069 FRYFHOFBSLETCW-UHFFFAOYSA-N 404.485 4.597 0 40 HJAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)c2cc(-c3ccco3)on2)C1 72396228 NZYWEEAQBXSFQX-LJQANCHMSA-N 416.481 4.623 0 40 HJAB CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4OC)=NN3C(C)=O)cc2c1 89269827 MCDGZZXYBCHDNY-NRFANRHFSA-N 423.900 4.993 0 40 HJAB CCN(Cc1ccccc1)C(=O)[C@H]1c2c(ncn2C(C)C)CCN1Cc1ccccc1 96037483 YXHVOOJOXIICIC-RUZDIDTESA-N 416.569 4.612 0 40 HJAB CCCCN(CC)C(=O)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 96037948 QRLHMAXSBBCZCT-UHFFFAOYSA-N 401.514 4.508 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(F)c(F)c2F)S1 96117331 FGWCDZCYJMPXTM-HWPZZCPQSA-N 411.449 4.610 0 40 HJAB Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C)cc3)c(=O)[nH]c3ccccc23)cc1 97165865 PXUIJHNRBDNOQM-UHFFFAOYSA-N 404.491 4.613 0 40 HJAB CCOc1ccccc1CCCNC(=O)CCCN1C(=O)c2cccc3cccc1c23 219467599 PYRFQXCQXSJJHV-UHFFFAOYSA-N 416.521 4.728 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 224138608 LNMPSKYFAHPROJ-QFIPXVFZSA-N 412.599 4.729 0 40 HJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)s1 224859084 HISSMYDEDKSZCN-QZTJIDSGSA-N 401.944 4.988 0 40 HJAB Cc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(I)c1 225028780 AXOSOPNAVMZTPS-MRXNPFEDSA-N 421.278 4.632 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 225718712 AGYYTCPGFGOGNB-QFIPXVFZSA-N 410.558 4.521 0 40 HJAB CCOC1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCC(C)CC1 225720463 AHSFQXQRZWIFSQ-UHFFFAOYSA-N 402.579 4.865 0 40 HJAB O=C(NCc1ccncc1)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 257214493 CMEIDQHCSJLXHY-UHFFFAOYSA-N 422.475 4.683 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3cccc4ccccc34)n2C)cc1 408595770 NXNHJRDGXSROFH-UHFFFAOYSA-N 418.522 4.587 0 40 HJAB COc1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccccc2OC)cc1 504537441 GRPDIUHLLNROLW-ODQZCSOXSA-N 421.537 4.612 0 40 HJAB O=C(O)c1ccc(-c2cc(-c3ccc(C(=O)O)o3)cc(-c3ccc(C(=O)O)o3)c2)o1 1542984515 PBZMWHAXJJFWDS-UHFFFAOYSA-N 408.318 4.561 0 40 HJAB O=C(NCc1ccc(F)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 646968 YGDSZUWISHOKMD-AEFFLSMTSA-N 418.394 4.613 0 40 HJAB CC[C@@](C)(C(=O)Nc1c(C)cccc1C)N(C(=O)c1ccccn1)c1ccc(O)cc1 830302 PYGLYMXPVVDWRS-VWLOTQADSA-N 417.509 4.858 0 40 HJAB CC(=O)Nc1cc(-c2cccc(Br)c2)nn1Cc1ccc(Cl)cc1 840534 RKICRLAEUFMSCI-UHFFFAOYSA-N 404.695 4.973 0 40 HJAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 883862 QXGJZTUYMOIOGL-UHFFFAOYSA-N 419.428 4.902 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cccc(Cl)c1 2450684 YEVMBWMSNMKEPJ-UHFFFAOYSA-N 400.935 4.966 0 40 HJAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)nc2ccccc12 2646365 MOUHSNMEOCXWKB-HNNXBMFYSA-N 416.433 4.687 0 40 HJAB COc1ccc(C(=O)N[C@H](Nc2ccccc2Cl)C(Cl)(Cl)Cl)cc1 3122759 OUMMXCJZPIVAOS-HNNXBMFYSA-N 408.112 4.887 0 40 HJAB CCOC(=O)CCCOC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 3354063 NRERQBVCKDLRKP-UHFFFAOYSA-N 406.891 4.549 0 40 HJAB O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ccc(Cl)cc1 3364853 VSMPIRYIGUAMPS-UHFFFAOYSA-N 410.282 4.686 0 40 HJAB O=C1OCC[C@@H]1Sc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1 3444545 HTBGFHKVBSEUFQ-KRWDZBQOSA-N 420.515 4.522 0 40 HJAB CCOc1ccc2nc(N3CCN(C(=O)c4ccc5c(c4)CCCC5)CC3)sc2c1 4583434 QJUJGAOCHGEAMW-UHFFFAOYSA-N 421.566 4.536 0 40 HJAB CCN(CC)C(=O)CSc1nc2cc3c(cc2cc1Cc1ccccc1)OCO3 4857750 POJFGRJDZVOWPZ-UHFFFAOYSA-N 408.523 4.515 0 40 HJAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@@H]2C1=O 5047015 FSNRYIANYKCYPE-BDTNDASRSA-N 418.880 4.700 0 40 HJAB COc1cc(C(=S)N2CCCC2)ccc1OC(=O)c1ccc(Cl)cc1Cl 5743896 QDRVITRUNMFWLI-UHFFFAOYSA-N 410.322 4.993 0 40 HJAB Cc1ccc(C2=NNC3(CCC4(CC3)NN=C(c3ccc(C)cc3)S4)S2)cc1 5745617 WLPZEOCDGIJWOG-UHFFFAOYSA-N 408.596 4.966 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2C)c1 6024049 RMOKWEOKDLINDP-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CCOC(=O)c1sc(N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccco2)nc1C 6078857 MRUUMFOBEJYSLT-QGZVFWFLSA-N 411.483 4.586 0 40 HJAB C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccccc1Cl)c1ccccc1 6128414 CXLZGHQEWOWUSK-INIZCTEOSA-N 408.885 4.849 0 40 HJAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O 6580523 NFMBJCPFXHEFRC-DEOSSOPVSA-N 418.880 4.657 0 40 HJAB CCOc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(CC)cc32)cc1OCC 6844066 LLEKZVRQQPWIAG-UHFFFAOYSA-N 414.509 4.875 0 40 HJAB O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 7344704 PPNMXQKAAFQVTD-NRFANRHFSA-N 418.924 4.918 0 40 HJAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc4c(c3)OCCO4)cccc2c1=O 7598670 WSKKTQITTTWKIM-UHFFFAOYSA-N 413.429 4.792 0 40 HJAB COc1ccc([C@H](CNC(=O)COc2ccc(C)cc2)c2c[nH]c3ccccc23)cc1 7889861 OOAUNMBNRPTQDR-QHCPKHFHSA-N 414.505 4.812 0 40 HJAB O=C(Oc1ccc(Cc2ccccc2)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 7928889 TXLMTHWGXISBDF-LJQANCHMSA-N 405.881 4.889 0 40 HJAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)cc12 7986213 CDIQKZAPVOELIV-OAHLLOKOSA-N 407.543 4.739 0 40 HJAB COc1ccc(C(=O)COC(=O)Cc2csc(-c3ccsc3)n2)cc1Cl 8001973 KQUYTXNADOHMCL-UHFFFAOYSA-N 407.900 4.502 0 40 HJAB Cc1ccc(C)c(NC(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)c1 8370021 NFJOWXPLWXDENA-UHFFFAOYSA-N 423.538 4.919 0 40 HJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(NC(=O)c2ccco2)cc1 8395755 WLNNUXIAWZSVLG-UHFFFAOYSA-N 404.422 4.826 0 40 HJAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O 8475500 YOEPSSUZJCWUJX-MRXNPFEDSA-N 414.461 4.976 0 40 HJAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccccc3)cc21 8959932 KIJWLDPLFZGMLS-UHFFFAOYSA-N 410.514 4.502 0 40 HJAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 8961267 WYOXITVVBTXQHV-UHFFFAOYSA-N 408.479 4.716 0 40 HJAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 9107385 PFCULECEGGFJIL-UHFFFAOYSA-N 400.478 4.817 0 40 HJAB O=C(CSc1ccc2c(c1)OCCO2)N[C@H](c1ccc(F)cc1)c1cccs1 9613806 VEVDKTROUICGBF-OAQYLSRUSA-N 415.511 4.656 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(Br)cc1 9639960 DTUAAKBQOSYQEG-UHFFFAOYSA-N 417.284 4.596 0 40 HJAB O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1Cl 10728691 VZYZCOZBANYMBW-UHFFFAOYSA-N 416.688 4.988 0 40 HJAB COc1cc(C)c(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)cc1OC 12800990 ZNTQTWBSFZWAGF-UHFFFAOYSA-N 412.511 4.917 0 40 HJAB CNC(=O)c1ccc(CN(C)[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 14123315 UOOCFSGKJUWBLX-DEOSSOPVSA-N 411.505 4.584 0 40 HJAB COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2c(C)oc(C)c2C)cs1 14197537 AUCYKJSULHGKSH-UHFFFAOYSA-N 414.483 4.712 0 40 HJAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)N2CCCc3ccccc32)o1 15881428 OUJSQNAIKVHIOK-UHFFFAOYSA-N 400.482 4.623 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1cc2cccnc2n(Cc2ccccc2)c1=O 15883305 KZRYYGHRDVTZPY-UHFFFAOYSA-N 423.394 4.716 0 40 HJAB O=C(NCc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1)[C@@H]1C[C@@H]1c1ccccc1 17094052 GURVXEIOYUGWNL-VEYUFSJPSA-N 424.544 4.526 0 40 HJAB CCCc1ncc(-c2cc(C)no2)c([C@@H]2CCCCN2C(=O)c2ccccc2F)n1 19525590 GYOIFLHFGVDAPI-IBGZPJMESA-N 408.477 4.899 0 40 HJAB Cc1[nH]c2ccc(C(=O)N3CCC[C@]4(CCC(=O)N4)[C@H]3c3ccc(F)cc3)cc2c1C 19576807 GUXGVHONXZLBKD-NOZRDPDXSA-N 419.500 4.550 0 40 HJAB Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)C[C@@H]3CCCO3)CC2)n1 19691865 DHFHTCBPLTWOEX-QFIPXVFZSA-N 412.961 4.909 0 40 HJAB Cc1ccc(-c2cc(C(=O)Nc3nnc([C@H](C)Oc4ccccc4)s3)no2)cc1 19715054 GIMMAPKOGRKOHD-AWEZNQCLSA-N 406.467 4.894 0 40 HJAB Cc1nn2c(ncc3c(=O)n(-c4ccc(Cl)cc4)ccc32)c1-c1ccc(F)cc1 19821315 FSLRTUWOFKLSBF-UHFFFAOYSA-N 404.832 4.801 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 20151584 COAGVKMPYLQIFE-UHFFFAOYSA-N 400.887 4.528 0 40 HJAB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc(C)cc1 20802593 OACLWWPEJSFGCW-VXKWHMMOSA-N 419.525 4.506 0 40 HJAB Cc1ccc(C(=O)C2CCN(C(=O)Cc3coc(-c4ccccc4)n3)CC2)c(C)c1 24454828 KMJLEARDGBVDAC-UHFFFAOYSA-N 402.494 4.622 0 40 HJAB Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)o2)cc1 24775913 ZBXAWNHFVVDFTQ-GOSISDBHSA-N 418.522 4.951 0 40 HJAB CC(=O)O/C(C)=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 25547800 IYHMGYUYUFEWDP-RJCTWELHSA-N 416.558 4.977 0 40 HJAB CCCc1nc(CSc2nc3ccccc3c(=O)n2-c2ncccc2C)cs1 26040743 GPKZRJUGBIGXAA-UHFFFAOYSA-N 408.552 4.790 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)Cc3cccc4ccccc34)cs2)cc1 27993629 YULASNHMYJRPSY-UHFFFAOYSA-N 402.519 4.873 0 40 HJAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@H](Sc1ccccc1)c1ccccc1 31039922 HHZZBLAZIKQRDO-JOCHJYFZSA-N 420.534 4.534 0 40 HJAB COc1ccccc1OCC(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1 32622895 HUJWMUWKAFEIRY-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB O=C(O[C@@H](C(=O)NCc1ccccc1)c1ccc2ncccc2c1)c1cccs1 35291264 AJNUYUBHVOVSRN-OAQYLSRUSA-N 402.475 4.511 0 40 HJAB CC[C@H](C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1ccccc1 35598038 OSKKRCNIXOFJSQ-DEOSSOPVSA-N 414.553 4.536 0 40 HJAB COC(=O)c1cc(-c2ccccc2)nc2c1c(=O)[nH]c(=S)n2[C@H](C)c1ccccc1 36617236 FKFLQVHEDVDNLZ-CQSZACIVSA-N 417.490 4.517 0 40 HJAB COc1ccc(Br)cc1CN(C)CCCc1nc(-c2cccs2)no1 37123801 RJVNTSBZYGLBNF-UHFFFAOYSA-N 422.348 4.634 0 40 HJAB COc1ccccc1CNC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38848837 YBUSRCHNGFDSDX-UHFFFAOYSA-N 407.341 4.530 0 40 HJAB CCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Cl)cc3)ccc2s1 46058747 YQRRASNDSTZKSM-UHFFFAOYSA-N 422.959 4.520 0 40 HJAB CCCCc1nc(-n2cccc2)sc1C(=O)Nc1cc(OC)c(OC)c(OC)c1 49550597 OXAVOFRIGHDYKK-UHFFFAOYSA-N 415.515 4.555 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)N1CCN(c2ccccc2F)CC1 54105761 BQXJUUKVIURCHV-RUZDIDTESA-N 400.501 4.922 0 40 HJAB COc1ccc(Cc2nc3c(Br)c(N)c(Br)cc3o2)cc1 57326824 CPMVUAVYRLIURD-UHFFFAOYSA-N 412.081 4.534 0 40 HJAB O=C(CSCc1ccc(F)cc1Br)NCc1ccc(Cl)cc1 58006736 CGLJPXGLIKUMOK-UHFFFAOYSA-N 402.716 4.791 0 40 HJAB CC[C@@H](C)n1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2cc(C)[nH]c2c1=O 67238878 ZUVGBSNGAGHIJT-MRXNPFEDSA-N 412.559 4.660 0 40 HJAB COc1ccc2c(c1)CN(C(=O)Nc1ccc([S@@](C)=O)cc1)[C@H](c1ccccc1)C2 97164721 PEWZCDYAILAHPZ-JHOBJCJYSA-N 420.534 4.764 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 103072545 RSMZTOVJYVBCPN-IJKBLAIYSA-N 424.854 4.802 0 40 HJAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1 222583594 GAZVBVYOFDMJAE-UHFFFAOYSA-N 422.506 4.661 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)cn3)N21 222710434 CPDXFKXKNFYYKO-CDHQVMDDSA-N 409.946 4.900 0 40 HJAB CC(C)CNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1F 224700909 NAHDOGUOYONNGM-UHFFFAOYSA-N 408.926 4.737 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 225491271 SCHZCUZZBMCITQ-UTKZUKDTSA-N 400.950 4.605 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 225573913 FKYWXYBRTJVDSP-URXFXBBRSA-N 424.585 4.713 0 40 HJAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccccc1Br 225810553 VBVIXJLJWXBHMJ-UHFFFAOYSA-N 406.667 4.724 0 40 HJAB C[C@@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccc(Cl)cc2)n1 225936075 YKPFCIBMIZVSEJ-GFCCVEGCSA-N 410.374 4.649 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2-c2ccc(C(=O)O)o2)cc1 226355091 DRCUAHXZBCVLEU-UHFFFAOYSA-N 414.870 4.733 0 40 HJAB Cc1cccc(Nc2cncc(C3CCN(Cc4ccc5ncccc5c4)CC3)n2)n1 257242334 IBYQZSLSIBJVIP-UHFFFAOYSA-N 410.525 4.851 0 40 HJAB CC(C)(C)c1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccsc4)o3)CC2)[nH]n1 257263122 LONBHTQXOKLYOA-HDJSIYSDSA-N 413.547 4.523 0 40 HJAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4OC(C)C)OCC[C@@]31C2 257330486 XOQDNBPIYLANCT-VQJABZNLSA-N 415.574 4.509 0 40 HJAB CCOc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1Br 408635333 ZLOFPKOZFWQYEV-YBEGLDIGSA-N 419.300 4.942 0 40 HJAB CCc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 409024255 IOJCFRZYTXXOAO-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 409216526 IZARUAODSYYNGD-BOPFTXTBSA-N 418.902 4.505 0 40 HJAB O=C(NCCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(C(F)(F)F)nc1O 501333136 ZNPDQYFDIGIVKS-UHFFFAOYSA-N 420.362 4.710 0 40 HJAB CCCOc1ccccc1-c1ccc(C(=O)NS(=O)(=O)c2ccccc2)c(CC)c1 585265715 QHXHCJJMNVFZLD-UHFFFAOYSA-N 423.534 4.824 0 40 HJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)NC12CC3CC(CC(C3)C1)C2 618256906 YZJLFAOFVAEQOQ-HIHZZFLASA-N 402.585 4.778 0 40 HJAB CCc1cc2c(N[C@@H](CC)[C@@H]3CN(Cc4ccccc4)CCO3)nc(C)nc2s1 1642390047 AABULIVWOUSRKP-SFTDATJTSA-N 410.587 4.654 0 40 HJAB CC(C)c1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3)CC2=O)cc1 631858 ZXYJUZAFHAVISM-OAHLLOKOSA-N 401.304 4.564 0 40 HJAB O=C(NC1CCCC1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F 865902 YQTDTAZXRUYQOV-JQWIXIFHSA-N 418.872 4.931 0 40 HJAB Cc1ccc(CN2C(=O)C(C)(C)Oc3ccc(C(=O)Nc4ccccc4)cc32)cc1 1342399 XOEFWMIAYMIJLH-UHFFFAOYSA-N 400.478 4.952 0 40 HJAB CCc1ccccc1-n1c(N)c(C(=O)OCCC(C)C)c2nc3ccccc3nc21 2248021 HIADRASPKKGSJL-UHFFFAOYSA-N 402.498 4.921 0 40 HJAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N1CCCCCC1 2627467 MUSLVZQEFIWBKU-UHFFFAOYSA-N 402.494 4.770 0 40 HJAB O=C(O)CS[C@@H](C(=O)Nc1ccc(Br)cc1)c1ccc(Cl)cc1 3125663 FJYNFHYERKKKGS-OAHLLOKOSA-N 414.708 4.600 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NC1CCCCCCC1 3270416 CRQITFGRGUZRAZ-UHFFFAOYSA-N 410.543 4.849 0 40 HJAB CCc1cc2c(SCc3nc4cc(C(F)(F)F)ccc4c(=O)[nH]3)ncnc2s1 3456542 ZEVUQMUFCXSBGI-UHFFFAOYSA-N 422.457 4.801 0 40 HJAB CCC(=O)OC[C@@]12CO[C@@H](c3ccccc3OC(=O)CC)[C@@H](C(C)=C[C@H]1C)[C@H]2C 4029252 SILOCWNFXQCZOK-RZTZHXRKSA-N 400.515 4.861 0 40 HJAB CCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3cccs3)cc12 4735747 PRHYUSONBLPWOQ-UHFFFAOYSA-N 407.513 4.869 0 40 HJAB CCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12 4735800 NVZAQSFWSXNIPG-UHFFFAOYSA-N 415.511 4.952 0 40 HJAB Cc1ccccc1C(=O)c1c(NC(=O)CN(C)C2CCCCC2)sc2c1CCC2 4889926 SFMLUKIUTSXZSC-UHFFFAOYSA-N 410.583 4.979 0 40 HJAB O=C(CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1)c1ccc2c(c1)CCC2 4993566 JOTDLUPLWPRVNT-UHFFFAOYSA-N 403.463 4.855 0 40 HJAB Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1ccc(Br)o1 5108240 CCADBIPQNPSKQZ-UHFFFAOYSA-N 409.280 4.586 0 40 HJAB Oc1ccc2c(c1)Oc1ncn3nc(-c4ccc(F)cc4)nc3c1[C@H]2c1ccccc1 5164495 HTMBAPHXKLFYEM-FQEVSTJZSA-N 410.408 4.922 0 40 HJAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O 5304743 OXIWTFYAYZQEBU-RUZDIDTESA-N 422.500 4.525 0 40 HJAB CCCCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl 5525644 GVRUEGAFAFXREY-UHFFFAOYSA-N 401.315 4.923 0 40 HJAB COc1ccc(-c2nnc(NC(=O)c3ccccc3Oc3ccccc3)o2)cc1OC 7595787 BWGJSAGLOWBEPC-UHFFFAOYSA-N 417.421 4.798 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(C)c(Br)cc3C)CC2=O)c(C)c1 7928077 UIOKEKXKEQRAMN-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB O=C1[C@@H]2[C@@H]3C(Cl)=C[C@@H](c4ccccc43)[C@H]2C(=O)N1c1cccc(Br)c1 8442567 MCKXPDXJJQJJHD-DZJNRPSUSA-N 414.686 4.572 0 40 HJAB Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C)cc3)cs2)cc1 8852863 YTLAAXYYVVEBBG-UHFFFAOYSA-N 411.552 4.672 0 40 HJAB CCOc1ccccc1CCCNC(=O)CSCc1ccc(Br)cc1 10110887 MRPKCRAZGCUJIW-UHFFFAOYSA-N 422.388 4.830 0 40 HJAB COc1ccc(F)cc1-c1ccccc1CC1(C(=O)NC2CCCC2)CCOCC1 12366593 MHFSIXRGYOCJKU-UHFFFAOYSA-N 411.517 4.899 0 40 HJAB Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccccc4)c(=O)c23)cc1C 12862900 KHZRHTSTIKUJCI-UHFFFAOYSA-N 403.507 4.771 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 13141288 UKTYHSBITJZGAP-HSZRJFAPSA-N 423.919 4.981 0 40 HJAB COc1ccc(S(=O)(=O)NCCCc2ccc(Cl)cc2)c(Cl)c1Cl 13674151 LYTVYSAJFLBGPE-UHFFFAOYSA-N 408.734 4.567 0 40 HJAB C[C@@H](NCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1ccc(F)cc1 14142352 ICAVFXWIOMSTMK-KDOFPFPSSA-N 413.543 4.977 0 40 HJAB COc1ccc(-c2nc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)sc2C)cc1 14234866 SOEAGMTXQZFFON-KRWDZBQOSA-N 421.522 4.657 0 40 HJAB O=C(/C=C/c1cnc2ccccc2n1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 15280563 CUAWLLVYGYQRCL-VAWYXSNFSA-N 406.441 4.640 0 40 HJAB C[C@@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1Cl 15310107 OQIMFYMOSACETL-OXQOHEQNSA-N 414.933 4.516 0 40 HJAB O=C(Cc1cccs1)N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 15778716 HJZJQRYWVQOMJN-LJQANCHMSA-N 409.898 4.900 0 40 HJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1I 16004689 QVKJPQFZUBKHRY-UHFFFAOYSA-N 414.655 4.807 0 40 HJAB Cc1ccc(NC(=O)c2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)cc1 16857372 RUBWCCITEWGARG-UHFFFAOYSA-N 414.505 4.934 0 40 HJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(I)cc1 17092872 KPOVFGJXJXMGEM-UHFFFAOYSA-N 422.049 4.859 0 40 HJAB COc1cccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc34)o2)c1 17227324 LNLODPIPCKDTAC-UHFFFAOYSA-N 421.478 4.541 0 40 HJAB C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)NCCc1nc(C(C)(C)C)cs1 19661603 QLAUXRZFLKNLSF-GFCCVEGCSA-N 400.466 4.586 0 40 HJAB CN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C2CCCC2)CC1 19700463 QEMSXMACJCYHKT-UHFFFAOYSA-N 418.581 4.783 0 40 HJAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(NC(=O)NCc2ccco2)cc1 21209298 AKLZWOAWNDAUEF-UHFFFAOYSA-N 401.825 4.575 0 40 HJAB C[C@H](NC(=O)c1ccccc1I)c1ccc2c(c1)CCCC2 21934012 QNLFHUQRDLPFDZ-ZDUSSCGKSA-N 405.279 4.661 0 40 HJAB Cc1nc2sc([C@@H](c3ccccc3Cl)N3CCc4ccccc4C3)c(O)n2n1 22627439 QNGNXPGDEMBUJW-GOSISDBHSA-N 410.930 4.606 0 40 HJAB O=C(Nc1nn(Cc2ccccc2F)cc1Br)[C@@H]1C[C@H]1c1ccccc1 28573826 MUONDZJKYJBIFF-JKSUJKDBSA-N 414.278 4.575 0 40 HJAB CC1=C[C@@H](CNC(=O)c2ccco2)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 30880131 GTCXMCSEJGCQHK-VABKMULXSA-N 422.569 4.913 0 40 HJAB biogenic,in-vitro C[C@H](NC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1cc2ccccc2o1 32817881 KOHJMJPTGBRMQR-HNNXBMFYSA-N 404.422 4.534 0 40 HJAB COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3n2CCC(C)C)c1 32950412 GZLOAMUYCRYXNR-UHFFFAOYSA-N 413.543 4.830 0 40 HJAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)c(Cl)c2)cc1OC 36359908 ZWMRITUKBRKFRM-CYBMUJFWSA-N 401.825 4.806 0 40 HJAB CCn1ccc(-c2cc(C(=O)Nc3ccccc3C(C)(C)C)c3c(C)noc3n2)n1 36617986 QWLPBNNZIWQFDP-UHFFFAOYSA-N 403.486 4.964 0 40 HJAB COc1ccccc1N1CCN([C@H](C)C(=O)n2c3ccccc3c3ccccc32)CC1 37100509 USUPQZPLKKDNCA-LJQANCHMSA-N 413.521 4.654 0 40 HJAB CCOC(=O)C1(C(=O)OCC)C(=C(c2ccccc2)c2ccccc2)[C@@H]2C=C[C@H]1C2 38337709 HNTUFWNNCHHGHM-RTWAWAEBSA-N 402.490 4.807 0 40 HJAB Cn1ccnc1COc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 40119443 BENPPJCOHBYFNW-UHFFFAOYSA-N 419.481 4.683 0 40 HJAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 40132479 ORULNLLHJZTIHG-ZDUSSCGKSA-N 419.422 4.808 0 40 HJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(CN2CCCC2)cc1 44872949 MIYNADXRFSZINS-RUZDIDTESA-N 402.538 4.909 0 40 HJAB COc1cc(CCC(=O)N2CC=C(c3c[nH]c4cc(C)ccc34)CC2)cc(OC)c1 58209954 GCIURFCNHFPFJF-UHFFFAOYSA-N 404.510 4.742 0 40 HJAB COc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(C(=O)O)cc1 59409158 ARMCNAWSVCFSQA-QFIPXVFZSA-N 420.490 4.669 0 40 HJAB COc1cccc(NC(=O)CSc2ncnc3c(-c4cccc(F)c4)c[nH]c23)c1 71328161 WZSZBMKTSPYXPQ-UHFFFAOYSA-N 408.458 4.503 0 40 HJAB O=C(Cc1ccccn1)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 72349501 KGBYBTUIPHXGBQ-UHFFFAOYSA-N 405.929 4.670 0 40 HJAB O=C(Nc1nncs1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 72400954 BKGSBGZSJPSVBF-LJQANCHMSA-N 424.570 4.752 0 40 HJAB COc1ccccc1NC(=S)NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1 100425554 ZLJLBEVCSPUQSM-IAGOWNOFSA-N 401.601 4.629 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@@H]3C2=O)cc1 100606835 KCHGDRJDKWKBQG-ZCNNSNEGSA-N 424.909 4.761 0 40 HJAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4ccccc4C)C3=C(O)C2)c(OC)c1 102316496 WJMJNNQUNMHWHS-IQMFZBJNSA-N 416.481 4.669 0 40 HJAB CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1cc(C)ccc1C)S(C)(=O)=O 220542382 VQZZUTASWGTBSD-FQEVSTJZSA-N 402.560 4.610 0 40 HJAB CCc1ccc(O[C@H](CC)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 222902645 IEXFMMOFMORYLB-LJQANCHMSA-N 413.905 4.768 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](CC)C(=O)NC(C)(C)C)cc1 223171097 MOULXZNMVXFHNO-HSZRJFAPSA-N 408.586 4.904 0 40 HJAB COc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1Cl 223908631 ILYRSJTVGNEBSL-UYRXBGFRSA-N 410.857 4.660 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 225096272 MFZVNYAZMKJOND-WOJBJXKFSA-N 412.599 4.809 0 40 HJAB CC(C)c1ccccc1OCCNc1ncc(C(=O)O)c(CCc2ccccc2)n1 257219184 DFXDKTKFJJAZRS-UHFFFAOYSA-N 405.498 4.574 0 40 HJAB CCOc1ccc(Br)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260774894 OADJETGXLHCHPK-OCBCSQNSSA-N 418.360 4.832 0 40 HJAB Cn1c(=O)n(C)c2cc(NC(=O)/C(=C/c3ccccc3Cl)c3ccccc3)ccc21 408563432 MQOUQPZSIDSBEG-XMHGGMMESA-N 417.896 4.710 0 40 HJAB Cc1csc2nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc(O)c12 408596681 UHFUWZMRUKEPIV-UHFFFAOYSA-N 400.312 4.743 0 40 HJAB CCOc1cc([C@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OC 408974913 FNEQDYTWVKWGGP-QGZVFWFLSA-N 413.524 4.530 0 40 HJAB CCC(=O)N1CCCCCN(CC)C(=O)c2ccccc2OC[C@@H]1Cc1ccccc1 643583609 YFAMDDPLGHRAQH-QFIPXVFZSA-N 422.569 4.561 0 40 HJAB O=C(Nc1n[nH]c2c1COCC2)c1cc(Cl)cc(Cl)c1OCc1ccccc1 1634550086 XNQPEFHCEYJXSB-UHFFFAOYSA-N 418.280 4.621 0 40 HJAB CCCCCc1cc(=O)oc2c(C(=O)[C@H](C)CC)c3c(c(O)c12)C[C@@H](O)C(C)(C)O3 2332242470 ULRVFRRDAPOETF-CZUORRHYSA-N 416.514 4.535 0 40 HJAB Cc1ccc2cc(C)c3nnc(SCc4cc(=O)[nH]c5ccccc45)n3c2c1C 903158 VGJVIOSPHBAOOU-UHFFFAOYSA-N 400.507 4.942 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2nc(-c3ccccc3)nc2N1 956259 KZHLFVXTUGGOEY-FQEVSTJZSA-N 413.506 4.934 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)sc(C(C)=O)c1C 1067931 XEWAHHSBYZXNNM-ZDUSSCGKSA-N 423.918 4.804 0 40 HJAB Fc1ccc(C2=Nn3c(COc4ccc(Cl)cc4Cl)nnc3SC2)cc1 1417177 BXCMKRHAAZTEPK-UHFFFAOYSA-N 409.273 4.661 0 40 HJAB O=C(Nc1ccc(Br)cc1)c1cccc(OC(=S)N2CCCCC2)c1 1437754 CFKYDSWIQSJODI-UHFFFAOYSA-N 419.344 4.851 0 40 HJAB CCOC(=O)c1ccccc1NCc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 2120464 JJOFOXXSXLFGLW-UHFFFAOYSA-N 415.445 4.954 0 40 HJAB biogenic CC(C)c1ccc(/C=C2\N=C(c3cccc(I)c3)OC2=O)cc1 2430699 YRWQOIXYDPUTKW-YVLHZVERSA-N 417.246 4.759 0 40 HJAB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 3135882 XCNPYBPMQQYGMR-UHFFFAOYSA-N 403.231 4.975 0 40 HJAB O=C(CCCSc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccc(F)cc1 3372469 PSRMXYGZZFLSQY-UHFFFAOYSA-N 422.481 4.932 0 40 HJAB Cc1c(Cl)cccc1-n1c(SCC(=O)C(C)(C)C)nnc1-c1ccncc1 3477176 OTMUPWLOORDUAI-UHFFFAOYSA-N 400.935 4.998 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4027924 QYZGQMBWXMTJIG-WMLDXEAASA-N 406.885 4.864 0 40 HJAB biogenic COc1ccc(OC)c([C@@H]2c3cccn3CCN2C(=S)Nc2ccc(C)cc2)c1 4059445 KLBTVPBXVOKPPA-JOCHJYFZSA-N 407.539 4.616 0 40 HJAB COc1ccc(-n2nc3c(c2NC(=O)C24CC5CC(CC(C5)C2)C4)CSC3)cc1 4077241 YMZMFWDGPNZDII-UHFFFAOYSA-N 409.555 4.783 0 40 HJAB CCCCNC(=S)N(CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O 4161956 JKIVZDRGTRNXFC-UHFFFAOYSA-N 421.610 4.864 0 40 HJAB COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1CC(=O)Nc1ccc(C)cc1C 5215583 ZXPIQNFUJMPRQO-NYMACZPPSA-N 422.569 4.619 0 40 HJAB CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc(OC)cc3)=NN12 5297223 FVUDWXFPJSLCRJ-QHCPKHFHSA-N 405.542 4.749 0 40 HJAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4c(C)cc(C)cc4C)ncnc32)cc1 5518159 BRXAGNHYTMPTIN-UHFFFAOYSA-N 417.538 4.780 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccc(C)c3)n2)cc1OC 5557397 NUIOGDUFACJODE-UHFFFAOYSA-N 415.449 4.982 0 40 HJAB O=C(C1CCCCC1)N(CCc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 5626489 JOHQWUKSDLGBSF-UHFFFAOYSA-N 423.944 4.728 0 40 HJAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(F)cc3Cl)n2)cc1 5897398 OFXJCVOJZSJNFH-UHFFFAOYSA-N 404.850 4.707 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 5902025 VKQIPQNASUJLHR-LLVKDONJSA-N 420.962 4.912 0 40 HJAB Cc1cccc(NC(=O)COC(=O)CCCSc2nc3ccccc3s2)c1 6510885 AIUOKSVWCJHBRS-UHFFFAOYSA-N 400.525 4.659 0 40 HJAB Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1C 6839516 JJBMHHAKXIQJAP-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB COc1ccc(-c2nnc(SCc3ccc(Br)cc3F)n2C)cc1 7059763 SKKJYIDWGMSRSP-UHFFFAOYSA-N 408.296 4.685 0 40 HJAB Cc1ccc(NC(=O)Cc2nc(CN3CC=C(c4ccccc4)CC3)cs2)cc1 7650969 SMZIHNCWPLCYST-UHFFFAOYSA-N 403.551 4.922 0 40 HJAB O=C(Nc1nnc(SCc2ccccc2F)s1)c1ccc2ncsc2c1 7973700 XRTZFGOBQMDUOQ-UHFFFAOYSA-N 402.501 4.832 0 40 HJAB CCOC(=O)c1ccc2c(c1)nc(COc1cccc(Br)c1)n2CC 8653960 MONOTBLZWKFYEY-UHFFFAOYSA-N 403.276 4.574 0 40 HJAB CC[C@H](C)c1ccc(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)cc1 8719098 GMDWSPCAXLVAFK-GKVSMKOHSA-N 404.510 4.557 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1Br 8811253 XMVUFOPWJASGFE-UHFFFAOYSA-N 422.279 4.677 0 40 HJAB COc1ccccc1CCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 9548378 RIIDYLLVUWNXMM-UHFFFAOYSA-N 417.534 4.641 0 40 HJAB O=C(Nc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 9582409 GEZGFGWPEUJASR-UHFFFAOYSA-N 419.865 4.924 0 40 HJAB CCc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 10338101 VTVPVVPWNOHZSY-UHFFFAOYSA-N 400.522 4.793 0 40 HJAB COc1ccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)cc1OC 10747763 KXPKHRAMKOAQRY-UHFFFAOYSA-N 410.451 4.834 0 40 HJAB Cc1cccc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)ns2)c1C 11914852 QZSUYQKBWYDLJY-UHFFFAOYSA-N 418.316 4.602 0 40 HJAB CSCc1c(C(=O)N[C@H](c2ccccc2F)c2nccn2C)oc2ccccc12 12535691 SMIJHUGCQBQRJQ-LJQANCHMSA-N 409.486 4.688 0 40 HJAB CCC(C)(C)NC(=O)[C@@H](OC(=O)c1nsc(Cl)c1Cl)c1ccccc1F 12642985 GJXNWYJGSSAGSR-ZDUSSCGKSA-N 419.305 4.792 0 40 HJAB O=C(Nc1cc(C(=O)c2ccccc2O)cn2c1nc1ccccc12)c1ccccc1 12699509 SVSKHCUEXMYHFM-UHFFFAOYSA-N 407.429 4.676 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 14007033 YLIDZUQRBWSIJO-KRWDZBQOSA-N 422.912 4.719 0 40 HJAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc12 14672306 QQLODAMCHYCQNT-LBPRGKRZSA-N 419.934 4.509 0 40 HJAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COc1ccc(OC)cc1 15323016 OWGMICWHKNBDEJ-UHFFFAOYSA-N 417.508 4.679 0 40 HJAB COc1ccc(N2CCn3c(SCc4ccc(C(F)(F)F)cc4)nnc32)cc1 16954011 IIUWKMVDJJFAKD-UHFFFAOYSA-N 406.433 4.750 0 40 HJAB Cc1cccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c1C 17090093 UCMNPUSPHUKLFV-OAHLLOKOSA-N 414.571 4.632 0 40 HJAB CCn1cc([C@H](NC(=O)Cc2ccc(OC)cc2)c2ccc(F)cc2)c2ccncc21 19524832 WAURZHUPQSHVNZ-RUZDIDTESA-N 417.484 4.652 0 40 HJAB CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C(C)(C)C)CC1 19700301 QTQKYDZHYWTALU-UHFFFAOYSA-N 406.570 4.639 0 40 HJAB COc1ccc([C@H]2CC(=O)c3c(C)nn(-c4nc5ccccc5s4)c3C2)cc1OC 19817337 LLLNMUNPLQGMDZ-OAHLLOKOSA-N 419.506 4.720 0 40 HJAB COc1ccc(S[C@H](C)C(=O)NCCSc2ccc(Cl)cc2)cc1OC 20451647 ZBJBXDRUVKNFSV-CYBMUJFWSA-N 411.976 4.746 0 40 HJAB COc1ccc(Oc2cc(N[C@@H](C(=O)NC3CC3)c3ccccc3)ccc2OC)cc1 22421176 FIPYHXNFJIBVDJ-XMMPIXPASA-N 418.493 4.928 0 40 HJAB COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1 24224858 CRQCGPNTHOLILZ-UHFFFAOYSA-N 411.104 4.565 0 40 HJAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 25607181 VRQPVPPMFAPGRO-IBGZPJMESA-N 423.563 4.505 0 40 HJAB CCn1nc(C)c(CN(C)C(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)c1C 28231041 WWNLKSWKMLTAQC-UHFFFAOYSA-N 415.921 4.926 0 40 HJAB CC(C)[C@H](NC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccc(C(C)(C)C)cc1 28508117 HXGDTXALNSNHJF-QFIPXVFZSA-N 410.558 4.943 0 40 HJAB Cc1c(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)sc2nc(C(F)(F)F)ccc12 31479242 IUZYHOXKVMYNNR-GHMZBOCLSA-N 414.449 4.570 0 40 HJAB COCCn1c(SCc2noc(-c3cccs3)n2)nc2cc(Cl)ccc21 40012675 RBONXZKFJABIMI-UHFFFAOYSA-N 406.920 4.740 0 40 HJAB O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)NC1CCCCCC1 40142966 NPMXBWDWTJTMJV-UHFFFAOYSA-N 419.319 4.676 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1 44842971 NMOHIHQERGXOJG-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1ccc(-n2cccc2)cc1 49524314 SCAUKRAVFIXLIY-OAQYLSRUSA-N 415.493 4.507 0 40 HJAB c1ccc(-c2ccc(Cc3nn4c(CN5CCCCCC5)nnc4s3)cc2)cc1 57524616 ZSWXAMUIPMNTKN-UHFFFAOYSA-N 403.555 4.820 0 40 HJAB CCn1cnnc1CNC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Cl 61283814 INKUKXXKADMATI-UHFFFAOYSA-N 413.953 4.741 0 40 HJAB O=S(=O)(Nc1cccc2cccnc12)C1=Cc2ccc(OC(F)F)cc2CC1 65068700 KRNBHODWRSFBSD-UHFFFAOYSA-N 402.422 4.565 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cnc3c(cnn3C3CCCC3)c2)c1 71849936 XSWQABKGNUWGMA-OAQYLSRUSA-N 420.513 4.541 0 40 HJAB CCN(Cc1ccccc1)c1c(C(=O)N2CCSCC2)cnc2ccc(F)cc12 72328406 OJJJNJVFCAEMKP-UHFFFAOYSA-N 409.530 4.589 0 40 HJAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(CCCOc2cccc(C)c2)C1 72352259 LWMBGFAITSZZLM-GOSISDBHSA-N 408.567 4.828 0 40 HJAB Cc1cnc(C(=O)N2CCC[C@H](c3cc(Cc4ccccc4Cl)cc(C)n3)C2)cn1 72353949 KOOJLFVSHDXVLM-FQEVSTJZSA-N 420.944 4.752 0 40 HJAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3c[nH]nc3C)C2)n1 72356170 KRVZLIZARFGUAG-IBGZPJMESA-N 408.933 4.686 0 40 HJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2C(=O)c2ccc(F)cc2)n1 72376811 ZYFGZRCTBCEZQT-IBGZPJMESA-N 410.880 4.886 0 40 HJAB COc1ccccc1N1CCN(C(=O)Nc2cccc(C3SCCS3)c2)CC1 83980530 NJSRTSPVAZEWPB-UHFFFAOYSA-N 415.584 4.528 0 40 HJAB O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccccc2Cl)CC1 96625861 YIVYXLGJDQTZCB-UHFFFAOYSA-N 410.867 4.887 0 40 HJAB CC(C)(C)C(=O)N[C@@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)C2CCCCC2)CC1 100223359 SIACQPYNAFQAJU-ZIFCJYIRSA-N 419.635 4.849 0 40 HJAB O=C(OCc1nnc(-c2ccccc2)o1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 101736956 RCXRGKOZABDDAC-RCRDTURJSA-N 417.303 4.514 0 40 HJAB COc1ccc([C@@H]2CC3=Nc4nonc4N[C@@H](c4ccccc4F)C3=C(O)C2)cc1 102743243 XFMNQLSYTOGMIV-XCLFUZPHSA-N 406.417 4.846 0 40 HJAB CC(C)c1ccc(OCC(=O)NCCSc2ccccc2)c(Br)c1 218869852 XLVNNEKAOAQKJT-UHFFFAOYSA-N 408.361 4.860 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219612837 BVVNYSTWAIIGFL-OALUTQOASA-N 403.906 4.925 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 223096682 SKZKORFBMMHDTP-LJQANCHMSA-N 412.599 4.543 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 223212530 SPDVKGOEDHEEJB-QFIPXVFZSA-N 424.585 4.713 0 40 HJAB Cc1ccc(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1C 224040456 WDPGOUABZNALHO-GOSISDBHSA-N 414.977 4.831 0 40 HJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 224630505 PTWVJPFDKXETHP-FQEVSTJZSA-N 421.368 4.522 0 40 HJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)ccc1Br 224917743 OMHVYOSTQKLKMT-QZTJIDSGSA-N 414.328 4.923 0 40 HJAB C[C@H](Nc1ccccc1F)C(=O)N1CCC(c2ccnc(Nc3ccccn3)c2)CC1 257218168 DCDABLPAYSWPGW-KRWDZBQOSA-N 419.504 4.566 0 40 HJAB CC(C)N1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3cccc4ncccc34)c2)C1 257274329 NKMXVJIEVQRQDC-HXUWFJFHSA-N 412.541 4.830 0 40 HJAB Cc1cccc(CN2CCCC[C@H]2c2n[nH]cc2C(=O)N(C)Cc2ccccc2)c1 257290270 QCFDYOQIZZKYPI-QHCPKHFHSA-N 402.542 4.718 0 40 HJAB CC(C)NC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CC2)CC1 257292402 QLHJWUOFDFVKHN-UHFFFAOYSA-N 410.583 4.501 0 40 HJAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 408608019 LTVTTZADOYHOPS-AREMUKBSSA-N 410.561 4.868 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)cc1 408639357 FPTJXWZEQSZEIU-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB O=C(Nc1ccccc1)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1 408698748 PBUXFGUKVMBILC-UHFFFAOYSA-N 419.282 4.949 0 40 HJAB O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1scnc1C1CC1 534056141 KQWZOEFUZKQHIB-SFHVURJKSA-N 409.580 4.611 0 40 HJAB Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CC(C(F)F)C3)c12 677918598 XMOFXLXOCHIRQV-UHFFFAOYSA-N 411.330 4.554 0 40 HJAB COc1cccc([C@H](C)C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 1528558742 JSSZBIFABHVDAN-KSFYIVLOSA-N 416.512 4.809 0 40 HJAB COc1ccc(-c2[nH]c(-c3ccc(CC(C)C)[nH]3)nc2-c2oc(C)cc(=O)c2O)cc1 1547205795 IIVKEMRNMHMISZ-UHFFFAOYSA-N 419.481 4.913 0 40 HJAB biogenic COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 956340 HZZDRGMFPXZJHZ-GOSISDBHSA-N 405.281 4.707 0 40 HJAB C[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 989860 NSOJCOQQFNDQKS-VOIUYBSRSA-N 405.881 4.593 0 40 HJAB Cc1cccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)c1 2263787 LZNOVNYWPDKVJX-UHFFFAOYSA-N 400.482 4.954 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 2314610 FSLFFEZXGKODHO-LFIBNONCSA-N 412.489 4.940 0 40 HJAB O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1cccc(C(F)(F)F)c1 3318898 RTEIVZTYFXGCFQ-UHFFFAOYSA-N 422.428 4.820 0 40 HJAB COc1ccc(-c2csc(NC(=O)COC(=O)c3oc4ccccc4c3C)n2)cc1 3449137 SHXXQHGCHVQXOD-UHFFFAOYSA-N 422.462 4.669 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3983996 CPDBALYNZRPEBV-OAGCWHJBSA-N 416.631 4.855 0 40 HJAB biogenic CCOc1ccc2nc(NC(=O)CCC(=O)O[C@@H]3CC[C@H](C)[C@H](C)C3)sc2c1 4112023 HPDUZEAHPLHGLC-SQWLQELKSA-N 404.532 4.782 0 40 HJAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cc(=O)c2ccccc2o1 4134682 WGNOAUGPEZWVSF-UHFFFAOYSA-N 405.460 4.779 0 40 HJAB CCOc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 4561839 XWIABBFGRGNIGR-MRXNPFEDSA-N 410.449 4.686 0 40 HJAB Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)no1 5305246 MGIHRYBRIGSMMD-GOSISDBHSA-N 410.788 4.632 0 40 HJAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 5440237 OTWIEGIIQPLGKT-UHFFFAOYSA-N 404.466 4.626 0 40 HJAB Cc1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1C 5619854 RMZKXXCDCXJGEJ-RXVVDRJESA-N 412.530 4.741 0 40 HJAB CC(C)CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 6325895 ANPZQCZXTPWDRK-LJQANCHMSA-N 424.541 4.890 0 40 HJAB O=S(=O)(NC[C@@H](c1ccccc1)N1CCCCCCC1)c1ccc(Cl)s1 6561515 SGBYJXZSNJSREI-KRWDZBQOSA-N 413.008 4.687 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 6846441 AGTDREYQYHSVCO-IBGZPJMESA-N 418.921 4.697 0 40 HJAB COc1ccccc1NC(=O)[C@H](C)Sc1nnc(Nc2ccccc2F)s1 6899203 VYZDEHIUWYJZRT-NSHDSACASA-N 404.492 4.549 0 40 HJAB COc1ccccc1N(CC(=O)c1ccc(OC(F)F)cc1)C1=NCCCCC1 7276446 CWQVSSRPJSUNIL-UHFFFAOYSA-N 402.441 4.958 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)c1cc(OC)c(Br)c(OC)c1 7956728 ICVIUKWZQSFKFC-UHFFFAOYSA-N 414.683 4.689 0 40 HJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccc(Cl)cc1Cl 8133933 GODOHKLUWUEHBD-UHFFFAOYSA-N 410.688 4.946 0 40 HJAB C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2nc3ccccc3s2)C1=O 8394025 RKNKKKFLLUSXLQ-GOSISDBHSA-N 406.294 4.570 0 40 HJAB CCCOc1c(Cl)cc(/C=C/C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1OC 8707817 NZXBHCKIZLBNSO-SOFGYWHQSA-N 417.889 4.538 0 40 HJAB Nc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2nc3c(cc12)N1CCC3CC1 8763210 SJHQPIRBKJVWKD-UHFFFAOYSA-N 418.444 4.847 0 40 HJAB O=C(Nc1nc2ccccc2[nH]1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 9116014 JLLFXGIZTYYKTF-UHFFFAOYSA-N 405.767 4.673 0 40 HJAB CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1cccc(CC)c1 9646471 MBPIXJHTOWQLPW-UHFFFAOYSA-N 407.488 4.580 0 40 HJAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2C 10971841 QJOAHDKKSQXZLJ-UHFFFAOYSA-N 418.493 4.872 0 40 HJAB O[C@@H](COc1ccccc1-c1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1 12420127 CHCYMPJREQNMCI-HSZRJFAPSA-N 422.956 4.569 0 40 HJAB CN(Cc1ccccc1N1CCCCC1)C(=O)/C=C/c1ccc2c(c1)OCCCO2 12563373 AHBKJFUHDXOJLR-ACCUITESSA-N 406.526 4.510 0 40 HJAB O=C(c1cccc(I)c1)N(Cc1ccccc1)Cc1ccco1 12812219 PMNPAKOPCWZPFA-UHFFFAOYSA-N 417.246 4.727 0 40 HJAB CCC(=O)N(c1nnc(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)s1)C1CC1 12920935 BXYKKQBPAOUUHC-LBPRGKRZSA-N 415.544 4.655 0 40 HJAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 12927150 JFXJHCIZOJRJEN-UHFFFAOYSA-N 414.571 4.898 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1 12930256 YHKNOCAUJIQGOA-CYBMUJFWSA-N 406.404 4.768 0 40 HJAB COC(=O)c1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 12933889 HYVNZZMEJJGQRI-UHFFFAOYSA-N 417.490 4.699 0 40 HJAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccccc1F 13114803 PFMDGRVBRBSRLJ-UHFFFAOYSA-N 417.893 4.960 0 40 HJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 13994941 HWRGQCAPOOFDMX-QHCPKHFHSA-N 416.521 4.764 0 40 HJAB O=C(c1nc(Cl)ccc1Cl)N(C[C@H]1CCCO1)c1nc2ccccc2s1 14499238 JMDKODPPSOREDF-LLVKDONJSA-N 408.310 4.824 0 40 HJAB COc1ccc(Cl)cc1COC(=O)c1ccccc1C(=O)N(C)c1ccccc1 14672218 JLAFHOZEVRRVMG-UHFFFAOYSA-N 409.869 4.982 0 40 HJAB O=C(CCCSc1nc2ccccc2s1)Nc1ccc2c(c1)OCCCO2 15618801 OJFZWDVRDZMMFM-UHFFFAOYSA-N 400.525 4.969 0 40 HJAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1csc(-c2ccc(Cl)cc2)n1 16046592 VAQXZAXXBZPHJJ-QFIPXVFZSA-N 423.925 4.747 0 40 HJAB CCCn1nc(NC(=O)c2ccc(OCC)cc2)c2cc3cc(OC)ccc3nc21 16956576 IHSROUDWECPNPO-UHFFFAOYSA-N 404.470 4.654 0 40 HJAB COc1cccc(-c2cc(O)nc(SCc3nc(-c4ccccc4C)no3)n2)c1 17136095 BNEJQUMQDBPCLU-UHFFFAOYSA-N 406.467 4.509 0 40 HJAB Cc1cc(C)n(C2CCN(Cc3c(-c4ccc(F)cc4)nc4sccn34)CC2)n1 19658357 UZZZNLKUGBUTRX-UHFFFAOYSA-N 409.534 4.852 0 40 HJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1ccccc1OC 21787015 GXKOKRZWGXHGTM-NRFANRHFSA-N 421.541 4.978 0 40 HJAB Cc1cc(COC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)on1 21926856 PFJAYOGTERCMGI-UHFFFAOYSA-N 424.460 4.800 0 40 HJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccnn1Cc1ccc(Cl)cc1 22386083 HHWHGSLCNCCJKV-UHFFFAOYSA-N 406.873 4.729 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22392961 DUMMXQQAWWXOAI-UHFFFAOYSA-N 402.560 4.647 0 40 HJAB COc1ccccc1[C@@H](CNC(=O)c1sc(-c2ccccc2)nc1C)N1CCCC1 22609231 MHDYNMVFVXDCKF-HXUWFJFHSA-N 421.566 4.694 0 40 HJAB COc1cc(CN(C)C(=O)[C@]2(C)CC2(Cl)Cl)ccc1OCc1ccccc1 23040256 CXMAXYVUNNOHPR-FQEVSTJZSA-N 408.325 4.817 0 40 HJAB CCc1ccc2c(c1)SC1=N[C@](c3ccc(OC)cc3)(C(F)(F)F)NC(=O)N12 26779941 BLGQYWQSJFRVEV-GOSISDBHSA-N 407.417 4.664 0 40 HJAB CC(C)Oc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 27580491 HSIGVGHXCYYVDX-CYBMUJFWSA-N 401.850 4.583 0 40 HJAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1ccccc1Br 32100743 VDGHSGKUBVPAOK-UHFFFAOYSA-N 424.254 4.913 0 40 HJAB COc1ccc(OCC(=O)Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)cc1 32623180 QYPKQJCWGJCOKK-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB O=C(CSc1nc2ccccc2s1)Nc1cccc(OC[C@@H]2CCCO2)c1 32776629 DXFWCQXSZOFTHR-INIZCTEOSA-N 400.525 4.585 0 40 HJAB Cc1cc(I)ccc1NC(=O)CSCc1ccc(F)cc1 32794115 UHJIJXYKIVNWKM-UHFFFAOYSA-N 415.271 4.611 0 40 HJAB COc1ccccc1[C@H](C)N(C)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 40121793 PCHBIBOVPVYHID-ULQDDVLXSA-N 415.509 4.673 0 40 HJAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3)c12 48286906 DWMNFTPQZZGONM-UHFFFAOYSA-N 417.488 4.781 0 40 HJAB CCCCn1c(SCC(=O)Nc2c(C)cccc2CC)nc2ccsc2c1=O 57426396 FKHUGMYJAKLVEL-UHFFFAOYSA-N 415.584 4.860 0 40 HJAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 65322230 YLZNDTHKAHPCJO-UHFFFAOYSA-N 420.557 4.758 0 40 HJAB CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)cc1 67296058 VUHRMZAVQUVHGV-GFMRDNFCSA-N 419.462 4.551 0 40 HJAB CC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CCc1ncc(-c2ccc(C)cc2)o1 72303032 WOYMHWGSVYUFFU-HSZRJFAPSA-N 417.553 4.706 0 40 HJAB CNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)CC2CCCC2)CC1 72345174 ZIYOYRABDISGSE-UHFFFAOYSA-N 424.610 4.893 0 40 HJAB O=C(Cc1ccccn1)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 72349498 IEFXPPOQVSLRTQ-UHFFFAOYSA-N 405.929 4.670 0 40 HJAB CC(C)Sc1ccc(CC(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1 96096890 WKVJUSDOQQHKAI-UHFFFAOYSA-N 404.963 4.848 0 40 HJAB Cc1ncccc1NC(=O)c1ccc2onc(-c3csc(-c4cccnc4)n3)c2c1 96154409 FSUFFRNAAWBFBE-UHFFFAOYSA-N 413.462 4.969 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O 136529941 NRJLWJSSVAAHSI-KDURUIRLSA-N 402.494 4.519 0 40 HJAB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 138970211 LXRXLJDPLMQXNA-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)COc1ccc(C(C)(C)C)cc1 218935667 SCWLTOKAKXEYFH-UHFFFAOYSA-N 413.905 4.725 0 40 HJAB CC[C@@H](NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccc(OC)c(OC)c1 219239375 IEYUBCLSROTVNP-XMSQKQJNSA-N 410.558 4.817 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219325858 SMCYHLHIDHRNPU-MRXNPFEDSA-N 406.269 4.517 0 40 HJAB O=C(Cc1ccc(F)cc1)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C12CCCCC2 222015205 JCJRDRMQBOUQLG-VWNXMTODSA-N 406.545 4.662 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 224665100 JKZROHFFKXMVDG-QFIPXVFZSA-N 414.977 4.771 0 40 HJAB Cc1cccc(CN(C(=O)CSc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224705426 GDDOPAJRTYAHSV-FQEVSTJZSA-N 424.610 4.953 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 225224498 TVDNVSZHNIIKRY-NRFANRHFSA-N 400.950 4.525 0 40 HJAB CCOCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cn1 225868765 OOWXRNSYSUHSJI-UHFFFAOYSA-N 402.922 4.991 0 40 HJAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN23)cc1 227280063 GCOOIAVCDYKMJO-BWKNWUBXSA-N 414.461 4.709 0 40 HJAB O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2=C(c2ccccc2)c2ccccc2)[C@H]1C(=O)Nc1ccccn1 252438189 AJALKHZZBSHUSA-LDTXMFMOSA-N 422.484 4.655 0 40 HJAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)C1(c2cccs2)CCCC1 253394130 AJALLYAHOXLJNG-HXUWFJFHSA-N 403.594 4.735 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257249993 JKNWHIWPMSBEFQ-HXUWFJFHSA-N 414.864 4.800 0 40 HJAB CC(C)(C)c1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)[nH]n1 257272751 NDSHPKRPRVFNTE-SFHVURJKSA-N 412.921 4.917 0 40 HJAB CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C2CCC2)CC1 257277962 OADWMABZBZNJES-UHFFFAOYSA-N 418.581 4.830 0 40 HJAB CCOc1cc(C(=S)N2CCN(CC)CC2)cc(Cl)c1OCc1ccccc1 408571685 CKQJGMMPAAHNHC-UHFFFAOYSA-N 418.990 4.631 0 40 HJAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O 409164177 DMLMHNQAEMMABN-DEDYPNTBSA-N 402.475 4.823 0 40 HJAB Cc1ccccc1-n1c(Sc2ncnc3ccsc23)nnc1-c1ccncc1 514319039 UAJADCACCISLDC-UHFFFAOYSA-N 402.508 4.794 0 40 HJAB COc1ccc(CNC(=O)NCCc2ccc(-c3ccsc3)s2)cc1OC 575414002 HTXGJGGXUGOAJJ-UHFFFAOYSA-N 402.541 4.536 0 40 HJAB O=C(Nc1ccc(O)cc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 682393434 APYGTCDHDRFTGZ-UHFFFAOYSA-N 424.297 4.918 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1Cl 869913 VCTSIOPUPZZVLP-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB CN(C(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1ccccc1 883913 LYOBDZCPLTZCSI-UHFFFAOYSA-N 403.429 4.918 0 40 HJAB CCOC(=O)c1cc2cc(-c3c(C)oc4cc(OC(C)=O)ccc4c3=O)ccc2o1 939049 MNXDFVVLOQOUOP-UHFFFAOYSA-N 406.390 4.617 0 40 HJAB biogenic O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)c1ccco1)c1ccccc1F 1380057 MYALRBQPZNFFFY-FQEVSTJZSA-N 412.486 4.927 0 40 HJAB O=C1[C@@H](Oc2ccccc2)[C@H](c2ccc3c(c2)OCO3)N1CCc1ccc(Cl)cc1 1444359 YLVRYGJTBCEPLF-GOTSBHOMSA-N 421.880 4.642 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccco2)N1c1nc2ccc(F)cc2s1 2198368 KPIUBBYOKAOPSM-SFHVURJKSA-N 418.405 4.885 0 40 HJAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccccn2)cc1 2206132 XMSGNYUDKAVLFN-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CC(C)(C)SC2 2270790 OIICENAHHFGSTH-UHFFFAOYSA-N 405.541 4.754 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(-c3cccs3)on2)sc2c1CCCC2 2497894 IDCZEIVNDVZOFS-UHFFFAOYSA-N 402.497 4.772 0 40 HJAB COc1cc(-c2nnc(SCc3nc4ccccc4s3)o2)cc(OC)c1OC 3280803 SUSVCDYLLIDXHD-UHFFFAOYSA-N 415.496 4.664 0 40 HJAB O=C(Oc1ccc(Cl)cc1C(=S)N1CCOCC1)c1ccc2ccccc2c1 4600535 WTHLGPNGCVFKLZ-UHFFFAOYSA-N 411.910 4.720 0 40 HJAB CCc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)C2CC2)cc1 4847998 UWPQNVKDPUJOQX-QHCPKHFHSA-N 410.583 4.644 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2ccccc2Cl)C(=O)NCc2ccccc2)cc1 5009884 KQHFVCKIQOOBCN-JCMHNJIXSA-N 404.897 4.736 0 40 HJAB CCCNC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12 5033114 VLFVPAYHMWVUNY-UHFFFAOYSA-N 414.296 4.603 0 40 HJAB O=S(=O)(c1ccc(SCc2ccccc2C(F)(F)F)nc1)N1CCCCC1 5634954 XHMYIQKOWCQVDG-UHFFFAOYSA-N 416.490 4.567 0 40 HJAB C[C@@H](c1ccccc1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 5721807 ZQWJZRLWGALBIQ-HJPURHCSSA-N 401.462 4.782 0 40 HJAB CN(CCc1ccccn1)Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S 5934754 DRFXHUCXLWSNRD-UHFFFAOYSA-N 407.568 4.659 0 40 HJAB CCSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1C1CCCCC1 6355819 GEYKINYSGOFGSR-UHFFFAOYSA-N 402.608 4.728 0 40 HJAB CCOc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)ccc1O 6464541 BTBDBSRVDAICNZ-BGYFSOITSA-N 421.537 4.699 0 40 HJAB COc1cccc(NC(=O)[C@@H](C)OC(=O)c2csc(-c3cccc(Cl)c3)n2)c1 7106836 OJVCUYVMEADQJX-GFCCVEGCSA-N 416.886 4.656 0 40 HJAB Cc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(C)n1-c1nccs1 7113027 VLANDPQEGNTNIF-HXUWFJFHSA-N 404.495 4.910 0 40 HJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 7651647 PMZDUNWARKVHHP-UHFFFAOYSA-N 402.281 4.682 0 40 HJAB C[C@H]1c2ccsc2CCN1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 7878924 LKSRGNADOLEVDA-HNNXBMFYSA-N 411.596 4.683 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@@H](C)Oc1ccccc1 8090412 QYXNGRKVYARSQE-QGZVFWFLSA-N 410.543 4.786 0 40 HJAB Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 9253531 AHFVSHBGVAQPPX-CQSZACIVSA-N 424.522 4.846 0 40 HJAB Cc1cc(C)c(OCC(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c(Cl)c1 9304505 YOVAVYODPIBLAC-UHFFFAOYSA-N 421.884 4.855 0 40 HJAB COc1cccc(C(=O)Nc2nc(-c3c(C)n(C)c4ccc(OC)cc34)cs2)c1 9420395 ZCXZHVPJZSHLEM-UHFFFAOYSA-N 407.495 4.880 0 40 HJAB Clc1cc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc2c1OCCCO2 9726657 CRSCZVOBIPQOIE-UHFFFAOYSA-N 418.858 4.572 0 40 HJAB Cc1cc(/C=C/C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(C)n1Cc1ccco1 9753455 QIWOWNKJNPARGA-VAWYXSNFSA-N 414.509 4.604 0 40 HJAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 9793195 AYYKJQFOTBUXJA-UHFFFAOYSA-N 418.931 4.684 0 40 HJAB O=C(COC(=O)c1ccc2ncsc2c1)Nc1ccc(Cl)c(C(F)(F)F)c1 9884515 YOFCNWRWEGRMGT-UHFFFAOYSA-N 414.792 4.764 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 10677903 NPHSAMNWVXJGFA-AWEZNQCLSA-N 404.297 4.605 0 40 HJAB CC(=O)NCCc1ccc(-c2csc(NC(=O)C[C@H](C)c3ccccc3)n2)cc1 11453867 JVEPDBACJMUICU-INIZCTEOSA-N 407.539 4.621 0 40 HJAB CCCn1c(S[C@H](C(=O)c2c[nH]c3c(CC)cccc23)c2ccccc2)n[nH]c1=O 12596065 HCUBIIPEEYRACF-NRFANRHFSA-N 420.538 4.741 0 40 HJAB CCN(CC)C(=O)c1cccc(NC(=O)COc2ccccc2Cc2ccccc2)c1 12790067 ZTDYABOSIYHQAP-UHFFFAOYSA-N 416.521 4.777 0 40 HJAB CCOc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C 13582387 GWCIQKNBZVDMEW-UHFFFAOYSA-N 414.549 4.941 0 40 HJAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1nc2ccc(Cl)cc2s1 16226807 CJNNQYHVEMAQBC-UHFFFAOYSA-N 412.323 4.739 0 40 HJAB C[C@H](CCc1ccccc1)NC(=O)CCc1csc(NC(=O)Nc2ccccc2)n1 16849046 XHXSWGPZALWYLV-QGZVFWFLSA-N 422.554 4.857 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cc2cc(Cl)ccc2o1 19204488 VVZNASWVAKPQHF-UHFFFAOYSA-N 406.751 4.938 0 40 HJAB CC(C)(C)c1csc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)n1 19358219 YZLNQGWVQNKXCB-UHFFFAOYSA-N 410.543 4.519 0 40 HJAB O=C(CCc1nc(-c2ccccc2Cl)no1)N(Cc1ccccn1)C1CCCC1 19368449 OKTJJVPXAOTIRR-UHFFFAOYSA-N 410.905 4.689 0 40 HJAB COc1ccc([C@@H](NC(=O)c2cc(C)oc2CN2CCCC2)c2ccccc2)cc1 19567822 ZGZPFHDLAJWGFM-DEOSSOPVSA-N 404.510 4.712 0 40 HJAB CC[C@@H]1CCCCN1CCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 19931977 JBNBTTDQVAZZLP-MRXNPFEDSA-N 403.419 4.997 0 40 HJAB CCOc1ccc(-c2cc(NC(=O)c3noc4c3C[C@H](C)CC4)on2)cc1OCC 20177422 DGAMGJCSENWYLO-CYBMUJFWSA-N 411.458 4.504 0 40 HJAB O=C(CSc1ccccc1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 20411043 KUGBTAKXXDLIQU-UHFFFAOYSA-N 409.492 4.872 0 40 HJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 20452745 GCNLYDHDESMYKK-NRFANRHFSA-N 400.950 4.771 0 40 HJAB CCCn1nnnc1NCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 22111641 AQIYRBYFXMVLOJ-UHFFFAOYSA-N 422.316 4.590 0 40 HJAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccc(OCc2cscn2)cc1 25067019 XHRKPQJRSPPTHE-UHFFFAOYSA-N 417.870 4.504 0 40 HJAB O=C(Nc1cccc(C2SCCS2)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1 25244866 XFVNEGXTVRETBR-GOSISDBHSA-N 414.552 4.535 0 40 HJAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1ccc(F)c(F)c1 32578498 URIPSZJKGVWJLJ-UHFFFAOYSA-N 407.376 4.699 0 40 HJAB COc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c(C)c1 32578740 QRCIKJNXAPRMBD-UHFFFAOYSA-N 415.449 4.885 0 40 HJAB COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1cccc(C)c1 33013045 DAQWFBPEYCXFLA-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB COc1ccc(/C=C2\SC(=O)N(CNc3ccccc3Br)C2=O)cc1 33908987 NEYWRZONYSXWTP-YBEGLDIGSA-N 419.300 4.564 0 40 HJAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)o1 35088351 ZXSNIBDRNRUUAC-UHFFFAOYSA-N 421.881 4.789 0 40 HJAB C[C@@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)Nc1ccc(F)c(F)c1F 36203545 LHLRCEJDGBPVBJ-LLVKDONJSA-N 416.399 4.648 0 40 HJAB COC(=O)c1occc1CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 40017779 SXJBKKNHHUUJSD-UHFFFAOYSA-N 403.463 4.878 0 40 HJAB COc1ccc(Cl)cc1C(=O)NCC1CCN(Cc2ccccc2SC)CC1 43991392 RJRUGMQALSRFMA-UHFFFAOYSA-N 418.990 4.713 0 40 HJAB CCCN1CCN(C(=O)c2cn(-c3ccccc3Cl)nc2-c2ccc(C)cc2)CC1 58158695 BWFVLBIRLAERJU-UHFFFAOYSA-N 422.960 4.669 0 40 HJAB CCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCc2sccc2C1 58306853 ZTMYAZMMBHTHCJ-JOCHJYFZSA-N 418.562 4.899 0 40 HJAB CC(C)Nc1ncc(-c2ccccn2)c(C2CCN(C(=O)c3cccc(F)c3)CC2)n1 72337684 XIWKKHSWTGLTLH-UHFFFAOYSA-N 419.504 4.518 0 40 HJAB CC(C)(C)c1cc2nc(C3CCN(Cc4ccccn4)CC3)cc(C(F)(F)F)n2n1 72341088 JVSMQNNTITWQOG-UHFFFAOYSA-N 417.479 4.820 0 40 HJAB O=C(CCc1ccccc1)N1CCC[C@@H](c2cccc(-c3ccc(CO)cc3)n2)C1 72349031 YTISWMGEODEGRR-HSZRJFAPSA-N 400.522 4.580 0 40 HJAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3cc(C)c(O)c(C)c3)cc2n1 72389776 HPNYDBYAFCACDP-QGZVFWFLSA-N 404.436 4.716 0 40 HJAB C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 79024806 WRUCMRQUIDWXQE-VXGBXAGGSA-N 406.269 4.688 0 40 HJAB C[C@@H](OC(=O)/C=C/c1ccc(Br)s1)c1nnc(-c2cccs2)o1 84667963 VDUSDQKURCWOBE-VPIOIWJLSA-N 411.302 4.940 0 40 HJAB COc1ccccc1C1(C(=O)N(Cc2ccoc2)Cc2cccs2)CCOCC1 90612175 BAVDVVABWNAQDX-UHFFFAOYSA-N 411.523 4.627 0 40 HJAB C[C@H](NC(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1)c1cccc(C(F)(F)F)c1 96925220 IPNYFKABAUBCKQ-UJFYRASASA-N 420.412 4.520 0 40 HJAB Cc1cc(C(=O)CS[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)c(C)[nH]1 97035927 OULOZUPFGSCPDO-GFCCVEGCSA-N 413.524 4.867 0 40 HJAB Cc1ccc(Cl)c2ccc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)nc12 97230888 UISJGMROELWMHW-UHFFFAOYSA-N 402.903 4.631 0 40 HJAB COc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)NCc5cccc(OC)c5)(C4)C2)C3)cc1 100785405 KLJBSDSFPLCKJM-XCGOXOSTSA-N 405.538 4.858 0 40 HJAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 101506757 BCPFHFTYCQVWBK-QTGCHDBNSA-N 409.294 4.578 0 40 HJAB Cc1cc(OCC(=O)NCCSC2CCCCC2)cc(C)c1Br 218835486 PWYYRMUXSOFVEL-UHFFFAOYSA-N 400.382 4.627 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 222475705 VZIHECDAGFQCNH-RDPSFJRHSA-N 424.585 4.577 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 222713524 CGRHAHSOEHZURS-LJQANCHMSA-N 412.599 4.728 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 223144312 VDXWOERTXLKBBN-QGZVFWFLSA-N 418.990 4.766 0 40 HJAB Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)o2)cc1 223322203 MQVJDJWZRIYNRY-HSQYWUDLSA-N 423.513 4.632 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 223730522 GTGRZSUPOKPBFT-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1c1ccccc1 224179474 WVSHMQUMCHYDSS-DHIUTWEWSA-N 411.534 4.504 0 40 HJAB CC[C@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccccc1C 224257497 GWNFDIRAOLKFKR-QHCPKHFHSA-N 422.550 4.701 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 224337047 XKYVHIQBIOFKRZ-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 224542080 BJFASSIESHHMMP-DEOSSOPVSA-N 424.585 4.734 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2Cl)c1 225200952 JNJFZMRCJYQMQI-OAHLLOKOSA-N 408.951 4.532 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 225641920 VCSNLTMVMFDAEG-KKSFZXQISA-N 418.940 4.744 0 40 HJAB CC[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(S(C)(=O)=O)cc1 225724201 UEFSZTRQLAYUPV-INIZCTEOSA-N 416.490 4.547 0 40 HJAB CCN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1 226285573 BSDKARBMCSBIHH-UHFFFAOYSA-N 406.360 4.609 0 40 HJAB O=C(c1cccc(N2CCCCC2)c1)N1CCC[C@@H]1c1ccnc(-c2ccccn2)n1 257285812 PIZOIMKIEYUYCK-HSZRJFAPSA-N 413.525 4.506 0 40 HJAB Clc1ccc(OCc2nn3c(CSCc4ccccc4)nnc3s2)cc1 1501039969 QFQUHHJMWPUDNY-UHFFFAOYSA-N 402.932 4.852 0 40 HJAB C[C@]1(c2cccc(F)c2)CCN(C(=O)c2cc3ccc(C(F)(F)F)cc3nc2O)C1 1639922280 ZHOXUFZMOOWLSH-NRFANRHFSA-N 418.390 4.902 0 40 HJAB FC(F)(F)c1cccc(N2CCN(C3CCN(Cc4cccs4)CC3)CC2)c1 1889035040 UMAUBHJCQBHBNO-UHFFFAOYSA-N 409.521 4.554 0 40 HJAB O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@H](c2c[nH]c3ccccc23)O1 710001 ZFGQRFFERSTKPE-NLFFAJNJSA-N 414.461 4.718 0 40 HJAB Cc1c(O)ccc2c1O[C@]1(C[C@H]2c2ccccc2Cl)CC(C)(C)NC(=S)N1 875566 CIODQKZTZULPIE-YCRPNKLZSA-N 402.947 4.611 0 40 HJAB COc1cc(C(=O)Nc2c(-c3ccccc3)nc3cc(C)ccn23)cc(OC)c1OC 1019657 FBIPGBCUHWYLNC-UHFFFAOYSA-N 417.465 4.588 0 40 HJAB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(Cl)cc1 2373265 XKUVXZSYTNDQRE-UHFFFAOYSA-N 410.886 4.610 0 40 HJAB CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)c(C)c(C)c2cc1Cl 2376135 CNVSHDXZPRQMMN-OAHLLOKOSA-N 423.893 4.662 0 40 HJAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2nc3ccccc3s2)cc1 2723218 SSIMRLKKUFSQIX-UHFFFAOYSA-N 410.524 4.612 0 40 HJAB CC(C)CCOc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1 3198408 GIJKMDXCDNLITD-UHFFFAOYSA-N 405.907 4.509 0 40 HJAB CCSc1nnc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)s1 3430523 LUJICIKPYHRDIZ-UHFFFAOYSA-N 423.519 4.984 0 40 HJAB CN(C)c1ccc([C@H](CNC(=O)Cc2cccs2)c2c[nH]c3ccccc23)cc1 3433920 MJKSEUPKXDKANA-NRFANRHFSA-N 403.551 4.786 0 40 HJAB O=C1[C@H](CC[C@@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 3810861 OLNTVTPDXPETLC-DNVJHFABSA-N 409.432 4.888 0 40 HJAB biogenic,in-man CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)C1 5274411 BHBAPXSKDZLDMO-OAQYLSRUSA-N 422.956 4.536 0 40 HJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCSc1ccc(F)cc1 5704682 BHUFZGZAJVJMMZ-UHFFFAOYSA-N 415.317 4.712 0 40 HJAB COc1ccc(-c2cc(OC(=O)c3ccccc3OC)cc3sc(=O)oc23)cc1 6809677 NPVWRUROKMRMFH-UHFFFAOYSA-N 408.431 4.758 0 40 HJAB CCCCNc1nnc(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)s1 6838897 KPYSFDIQPPQGMB-XXWNAHEMSA-N 408.637 4.563 0 40 HJAB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccs4)cc3)CC2)cc1 7496833 WYHKKTUQVGOINT-UHFFFAOYSA-N 419.550 4.525 0 40 HJAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)n1C1CC1 7617616 RWIIFAKSHKEXPJ-HNNXBMFYSA-N 408.527 4.620 0 40 HJAB O=C(c1cc(F)c(F)cc1Cl)N(Cc1cccnc1)c1ccc2c(c1)OCO2 7734577 UEVPJDBCZMACQT-UHFFFAOYSA-N 402.784 4.589 0 40 HJAB C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)NCc1ccccc1 8750788 JAZBUKSBWQFPGO-INIZCTEOSA-N 410.543 4.840 0 40 HJAB O=C(CSc1nnc(-c2ccco2)o1)N1c2ccccc2OC[C@@H]1c1ccccc1 8965693 UUZKCYNZXLRMHJ-QGZVFWFLSA-N 419.462 4.589 0 40 HJAB CC(C)OCCCNc1nc(Nc2cccc(F)c2)c2cnn(-c3ccccc3)c2n1 9622824 AUFONDYEUIVROF-UHFFFAOYSA-N 420.492 4.925 0 40 HJAB Cc1ccc(C(=O)N[C@H](C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)C(C)C)cc1 11072665 NAXGHXVMDFCWDB-DEOSSOPVSA-N 415.537 4.547 0 40 HJAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)COC(=O)c2c(C)noc2C)cc1 11378052 JFZVEDPHISCKQH-UHFFFAOYSA-N 414.845 4.841 0 40 HJAB CC(C)c1nc(O)cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)n1 12220504 RJPBNQVGIUUQKR-QGZVFWFLSA-N 406.511 4.562 0 40 HJAB COCCn1c(SCC(=O)N(C)[C@H](C)c2ccccc2)nc2cc(Cl)ccc21 12820282 KUTFWBCIXJAADW-OAHLLOKOSA-N 417.962 4.648 0 40 HJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(N2CCCC2=O)c1 18081441 DEJQTCNLIPSBSV-UHFFFAOYSA-N 406.404 4.873 0 40 HJAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cccc(C2SCCCS2)c1 18112354 ZHGHWAZFCONSBA-QGZVFWFLSA-N 416.593 4.997 0 40 HJAB CC(=O)Nc1ccc(SCc2nnc(-c3ccc(Br)s3)o2)cc1 19009262 ZFKTWUZJBWDFFK-UHFFFAOYSA-N 410.318 4.811 0 40 HJAB Cc1ccc2[nH]cc([C@H](O)CN3CCC4(CC3)CC(=O)c3cc(C)c(C)cc3O4)c2c1 19220530 QOYMUANNAVJMRM-XMMPIXPASA-N 418.537 4.627 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(C[C@H]2CC=CCC2)C1)c1cccc(F)c1 19400469 QOWLDWRIHCBQLS-XZDHIHRUSA-N 407.533 4.760 0 40 HJAB C[C@@H]1C[C@H]1C(=O)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 19462918 JXUSBFUBPTVGAD-DYESRHJHSA-N 413.525 4.644 0 40 HJAB COc1cccc(-c2ccc([C@@H]3CN(Cc4ccc5ncccc5c4)CCO3)nc2)c1 19692582 SJDVCAZANQGTBO-SANMLTNESA-N 411.505 4.879 0 40 HJAB COc1ccccc1OCc1nnc(SCC(=O)Nc2cccc3ccccc23)o1 19928471 INKHTANAAKJZCX-UHFFFAOYSA-N 421.478 4.541 0 40 HJAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1cccc(Cl)c1Cl 19937620 FPUYAVQERSBEJG-UHFFFAOYSA-N 408.672 4.578 0 40 HJAB Cc1nn2c(nnc3c(=O)n(-c4ccccc4Cl)ccc32)c1-c1cccc(Cl)c1 19962784 AQKGXBXLIQAYOK-UHFFFAOYSA-N 422.275 4.711 0 40 HJAB CCCCOC(=O)c1ccc2nc(NC(=O)CSc3ccccc3)sc2c1 20411475 RVMZUJUBPKZFIR-UHFFFAOYSA-N 400.525 4.984 0 40 HJAB Cn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nc2ccccc2c1=O 21163966 ARBOGCUJASGADP-HXUWFJFHSA-N 419.481 4.545 0 40 HJAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)OCC(=O)c3cc(C)[nH]c3C)sc2n1 22416547 ORFISDMFSIPARK-UHFFFAOYSA-N 407.495 4.688 0 40 HJAB O=C(NCc1ccc(Br)s1)c1cc(C2CC2)nn1-c1ccccc1 25473045 FAUIQWWDEDEHCY-UHFFFAOYSA-N 402.317 4.504 0 40 HJAB COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O)cc(OC)c1OC 33627342 QCQQUVYMWQPHRO-PTNGSMBKSA-N 405.450 4.836 0 40 HJAB COc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC 36246382 LOLWCTUSRIEJTN-UHFFFAOYSA-N 417.914 4.753 0 40 HJAB Cc1nc2ccccc2nc1CSc1nnc(COc2ccccc2Cl)n1C 36855538 MVOYWYBYSPAXNX-UHFFFAOYSA-N 411.918 4.591 0 40 HJAB CN(C)C(=O)[C@@H](NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1ccccc1 37224400 ISKUUXNONPSLNM-OFNKIYASSA-N 403.551 4.780 0 40 HJAB COc1ccc(CCN(CC(F)(F)F)C(=O)c2cc(-c3ccccc3)on2)cc1 41157303 DXHYJPGTIMSFBR-UHFFFAOYSA-N 404.388 4.597 0 40 HJAB COc1cccc(Oc2ccc(CNC(=O)c3cc4ccc(C)cc4nc3C)cn2)c1 48287333 CENUJJQIONVUQG-UHFFFAOYSA-N 413.477 4.978 0 40 HJAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)cc1 48362410 OMHGDYUSFIYDGS-UHFFFAOYSA-N 403.891 4.562 0 40 HJAB COc1ccccc1OCc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)o1 49619056 LMCQCDWLNGSDLM-IBGZPJMESA-N 417.465 4.721 0 40 HJAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 59321202 ILELCOVMHSBNRV-JXFKEZNVSA-N 407.518 4.585 0 40 HJAB O=C(COC(=O)c1nccc2ccccc12)Nc1cc(C(F)(F)F)ccc1Cl 64875270 WPSOWNNSFVRNHW-UHFFFAOYSA-N 408.763 4.703 0 40 HJAB COc1cccc2cc(C(=O)NC[C@H]3CCCO3)/c(=N/c3cccc(C(C)C)c3)oc12 67293744 TXDSBRFIEKEYEU-PCCZYRSZSA-N 420.509 4.706 0 40 HJAB Cn1c(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc(Cl)c1Cl 71874280 VTAYCBYQPROMPK-NSHDSACASA-N 410.326 4.767 0 40 HJAB CC1(C)C[C@H](NC(=O)C(C)(C)Oc2ccc([C@@H]3CC3(Cl)Cl)cc2)CCO1 72403503 TXHIXEPDUGQYFH-ZBFHGGJFSA-N 400.346 4.579 0 40 HJAB COc1cc(NC(=O)N2CCCC[C@H]2CCc2ccccc2)ccc1N1CCCC1=O 95467041 WWNKTLGWQRFIOI-NRFANRHFSA-N 421.541 4.841 0 40 HJAB O=C(N[C@@H](C(=O)O)c1cc(F)ccc1F)OCC1c2ccccc2-c2ccccc21 95748966 IFRHOKKAJGRVJG-OAQYLSRUSA-N 409.388 4.629 0 40 HJAB O=C(c1nccc2ccccc12)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220700981 BLMPPACWJVEJGE-INIZCTEOSA-N 416.456 4.519 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1ccncc1 222591181 OPVSSMMVOUAXGA-KNXBSLHKSA-N 403.555 4.533 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 223082305 DERPUIWQPIULDT-CVEARBPZSA-N 421.368 4.868 0 40 HJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223130377 YAXIPNUWBYNBFW-QFIPXVFZSA-N 414.977 4.852 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1NC(=O)C(C)C 223673808 RBDOQDDYQKUYCS-UHFFFAOYSA-N 410.586 4.526 0 40 HJAB COCc1cccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)c1 224085869 QQQRPQLJZFWJBH-UHFFFAOYSA-N 424.522 4.503 0 40 HJAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccccc1C(C)(C)C 224508413 BYEROIAGAIXPLE-HXUWFJFHSA-N 411.542 4.871 0 40 HJAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 225036057 GQLFFAPWKSMQEU-PKTZIBPZSA-N 419.598 4.939 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCCSCc2ccccc2)c(C)c1 225598507 FEZIKNIVCXWLCI-UHFFFAOYSA-N 402.585 4.782 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC(C)C 225631627 AIJSATKLNJKUKB-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1)c1ccccc1Br 226287697 JENKAMIZXHFTRR-UHFFFAOYSA-N 407.267 4.862 0 40 HJAB COc1ccc(NC(=O)c2ccc(-c3ccc(C)cc3Br)o2)c(N)c1 226348482 LTUKLABGOBEUIX-UHFFFAOYSA-N 401.260 4.861 0 40 HJAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N)cc1Br 227158608 MHYVNCICKXTQCK-UHFFFAOYSA-N 404.091 4.664 0 40 HJAB COc1ccc(C(=O)O)cc1-c1cc(-c2cccc(OC)c2OC)n(CC(C)C)n1 257243553 IHNCNAWHIDFFBW-UHFFFAOYSA-N 410.470 4.597 0 40 HJAB C[C@]12C[C@@H]3N[C@H]1CCC[C@H]2N(C(=O)c1nccc2ccccc12)[C@H]3Cc1ccccc1 257269748 MRFIJBPNTAASRQ-CPASSRBFSA-N 411.549 4.591 0 40 HJAB CC(C)c1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 409132619 JOKQFNYDRSMAOU-UHFFFAOYSA-N 415.342 4.522 0 40 HJAB C[C@H]1c2ccccc2CN1C(=O)[C@H]1CC[C@H](C(=O)N2Cc3ccccc3[C@@H]2C)CC1 542171990 OYZRLQHNDAZSKN-MUGJNUQGSA-N 402.538 5.000 0 40 HJAB Cn1cc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)c(-c2ccccn2)n1 675581942 NUWNLRWKVQJNCG-UHFFFAOYSA-N 401.904 4.573 0 40 HJAB COc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)c3ccc(C)cc3)n2)cc1 929127 TWIKSTWKLSKDSY-HXUWFJFHSA-N 408.523 4.953 0 40 HJAB O=C(NC(=S)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccco1 1101682 PABWYFPMYQATMK-UHFFFAOYSA-N 413.842 4.574 0 40 HJAB COc1cccc(-c2noc([C@@H]3CCCN(C(=O)Nc4cccc(Cl)c4)C3)n2)c1 1360439 OHVBOVJMEDHJQY-OAHLLOKOSA-N 412.877 4.810 0 40 HJAB CCCCSc1nnc2n(-c3ccccc3C)c(=O)c3c4c(sc3n12)CCC4 2273945 WRQHKAFUZZGLOL-UHFFFAOYSA-N 410.568 4.784 0 40 HJAB CCCCCOC(=O)c1c(N)n(Cc2ccccc2OC)c2nc3ccccc3nc12 2424040 ZJPGMVCHSYSIPP-UHFFFAOYSA-N 418.497 4.571 0 40 HJAB O=C1OCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 2626152 QZAZQYASVLZKJQ-OAHLLOKOSA-N 406.294 4.649 0 40 HJAB CCN(c1ccc(NC(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1)C(C)C 3378357 OQIANLXEROAZJN-MRXNPFEDSA-N 414.571 4.903 0 40 HJAB CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C(=O)O)cc1)c1ccccc12 3656738 AUNRONFLWIUWDK-UHFFFAOYSA-N 423.446 4.596 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1NC(=O)[C@H](C)Oc1ccccc1 4666216 SVQJUIXIDYANDZ-OALUTQOASA-N 418.493 4.807 0 40 HJAB O=C1CS[C@]2(SC(c3ccccc3)=NN2c2ccccc2)N1c1ccccc1 4670924 WBXAKEUTDDZUOK-QFIPXVFZSA-N 403.532 4.993 0 40 HJAB COCCOC(=O)c1c(C)n(Cc2ccc(F)cc2)c2c1cc(O)c1ccccc12 4708665 FLSUCQFFPRRXSO-UHFFFAOYSA-N 407.441 4.799 0 40 HJAB COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 4715807 STCGKIDPWPTCEK-DHLKQENFSA-N 416.477 4.955 0 40 HJAB O=C(c1ccccc1Cl)n1nc(NCc2ccccc2)nc1NCc1ccccc1 4723805 RUFSNRKVRCARCY-UHFFFAOYSA-N 417.900 4.844 0 40 HJAB Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccccc2F)c1 5156620 HFSYNAXVXURBJA-NRFANRHFSA-N 400.409 4.694 0 40 HJAB O=c1[nH]c(SC[C@H]2COc3ccccc3O2)nc2scc(-c3ccccc3)c12 5265737 QJKRJVKRXGLCJP-CQSZACIVSA-N 408.504 4.584 0 40 HJAB CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1OC 5478624 DQUHRHUOFYACRH-UHFFFAOYSA-N 410.543 4.828 0 40 HJAB CCc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1 6066720 WOOPLJBAANHQEU-VQIMIIECSA-N 422.550 4.501 0 40 HJAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 6296323 CVOOXJVXBBZNFU-CAOOACKPSA-N 405.834 4.641 0 40 HJAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(C)n(C)c1C 6356073 VKCPQZJSKNQSEH-JHAVZTMOSA-N 415.335 4.510 0 40 HJAB CCCC[C@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccc(OC)cc2)C1=O 6656922 UYSLOHMVNMXYIO-UAQCVPFCSA-N 401.557 4.781 0 40 HJAB Cc1cccn2c(=O)c3cc(C(=O)Nc4cccc(Cl)c4Cl)sc3nc12 6816500 JHXTZXYWRFQUIB-UHFFFAOYSA-N 404.278 4.777 0 40 HJAB COc1ccccc1NC(=O)COc1ncnc2scc(-c3ccc(C)cc3)c12 6887184 MSEHGNXHQOZPIH-UHFFFAOYSA-N 405.479 4.693 0 40 HJAB Nn1c(COc2ccccc2F)nnc1SCc1ccc(-c2ccccc2)cc1 8191871 TYBCNXDWSFTRRL-UHFFFAOYSA-N 406.486 4.669 0 40 HJAB COC(=O)CSc1nnc(COc2ccc(Cl)cc2C)n1C1CCCCC1 8312638 ZLXRWTQMWGLDRO-UHFFFAOYSA-N 409.939 4.589 0 40 HJAB CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(OC)cc4)=NN3C(C)=O)cc2c1 8769993 WCBKHWJTQRKNIX-QFIPXVFZSA-N 423.900 4.993 0 40 HJAB COc1ccc(-c2nc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)cs2)cc1 10541192 WJKOLLCUUSJIHU-UHFFFAOYSA-N 404.495 4.874 0 40 HJAB COc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc(Cl)cc2)n2ccccc12 12342046 CERNOHWLWCXEAQ-UHFFFAOYSA-N 419.868 4.667 0 40 HJAB CCc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(OC)cc3)n3ccccc23)cc1 12342081 KEKJPPCIRMADDP-UHFFFAOYSA-N 413.477 4.576 0 40 HJAB O=C(OCc1coc(-c2ccccc2)n1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 12978684 FRKCJTXZZKJVCT-UHFFFAOYSA-N 417.440 4.902 0 40 HJAB O=C(CSc1ccccc1C(=O)Nc1cccc(Cl)c1)NCc1ccco1 13042174 AFDMCXVUFAINIL-UHFFFAOYSA-N 400.887 4.594 0 40 HJAB Cc1sc2nc(COC(=O)c3cc(C(C)C)cc(C(C)C)c3O)[nH]c(=O)c2c1C 14013628 DSHUDJAXTFODTD-UHFFFAOYSA-N 414.527 4.911 0 40 HJAB O=C(c1cc(Cl)sc1Cl)N1CCN(c2nc3c(F)cccc3s2)CC1 15882419 NQFTULUNXKZDET-UHFFFAOYSA-N 416.330 4.766 0 40 HJAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3nccs3)o2)cc1Cl 17082775 QTVPOZUCWQJBSR-FNORWQNLSA-N 403.916 4.891 0 40 HJAB C[C@@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccc(Cl)cc1Cl 17579053 INJCALNFZOUQRN-NSPYISDASA-N 407.322 4.800 0 40 HJAB CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc3ncccc23)C1 19081946 GOQUGZPRCNEZDO-RDPSFJRHSA-N 416.569 4.745 0 40 HJAB Cc1nn(C(C)C)c(C)c1CN1CCO[C@H](c2ccc(-c3ccccc3F)cn2)C1 19693597 KWDCRIYGINSNOY-DEOSSOPVSA-N 408.521 4.855 0 40 HJAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(-n2cnc3ccccc32)cc1 23739554 KNPLDYCOGKFAAT-VWLOTQADSA-N 410.521 4.592 0 40 HJAB Cc1ncc(-c2ccc(NS(=O)(=O)c3cc(Br)ccc3C)cc2)o1 26540177 SNKZIPPPAZSRHN-UHFFFAOYSA-N 407.289 4.522 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 26678531 YQPHUSUUQSQAIJ-UHFFFAOYSA-N 407.470 4.717 0 40 HJAB CCc1cccc(CC)c1NC(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1 43339716 BPEHCVFSISLBBF-UHFFFAOYSA-N 409.530 4.703 0 40 HJAB O=C(NCCCN1CCCCCC1)c1ccc(CN2CCCc3ccccc32)cc1 44903961 QBPNXQFNXKYJJG-UHFFFAOYSA-N 405.586 4.635 0 40 HJAB O=C(Nc1ccc(Cn2cnc(C(=O)Nc3ccccc3)c2)cc1)c1ccc(F)cc1 49422257 JOVLKMCLUYVCTP-UHFFFAOYSA-N 414.440 4.575 0 40 HJAB C[C@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1nnc2ccccn12 52757098 LRIWGOMDJKWSMI-AWEZNQCLSA-N 410.399 4.906 0 40 HJAB CCCc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)c3ccc(-n4cncn4)cc3)c12 65609428 ZALMTLPZCTZMMA-CQSZACIVSA-N 417.469 4.551 0 40 HJAB CCN(CC)CCN(C(=O)[C@@H](C)c1c(C)noc1C)c1cccc(C(F)(F)F)c1 95462420 WAEOLJJDKXDRKS-AWEZNQCLSA-N 411.468 4.789 0 40 HJAB COC(=O)CC[C@@H](C)[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[C@]12C 95837071 BWDRDVHYVJQWBO-DPQRRXGGSA-N 406.607 4.566 0 40 HJAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 102223707 CQUVHIVQIVAWJC-JYJNAYRXSA-N 418.946 4.906 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2cccc(C)c2C)CC1 222816115 OWRAWRAPBPWUAP-RUZDIDTESA-N 406.570 4.688 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 223229551 PIUGAUQPDTZPLI-GOSISDBHSA-N 400.950 4.525 0 40 HJAB O=C(CCCOc1ccc(Cl)cc1)NCc1cccc(CN2CCCCC2)c1 224671106 MLGAWVMTRKVFRT-UHFFFAOYSA-N 400.950 4.801 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 224738079 KWXIQYLQNKNMMV-OAQYLSRUSA-N 418.940 4.601 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 224807716 IPFCECMPXTZXQO-INIZCTEOSA-N 421.368 4.870 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 224814495 PJCSLPGPFXAERF-KRWDZBQOSA-N 418.990 4.766 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 225100458 ZLSVWGGPVAKCMP-JOCHJYFZSA-N 412.599 4.562 0 40 HJAB CCCO[C@](C)(C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1)C1CC1 225672951 MYVNTALTXNSVKF-CYFREDJKSA-N 402.579 4.864 0 40 HJAB CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3Br)nc2c1 226344206 CHUNKIMYQYPRNR-UHFFFAOYSA-N 424.092 4.932 0 40 HJAB O=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1cccc(OC(F)(F)F)c1 244914823 BFPPJPMRRAEWPP-UHFFFAOYSA-N 405.401 4.807 0 40 HJAB CCCCc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)[nH]n1 257239716 HQLRJOFTLNQYKH-OAQYLSRUSA-N 410.493 4.838 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)[nH]n1 257317055 VIEDSYFNCYQBLH-INIZCTEOSA-N 412.921 4.785 0 40 HJAB FC(F)(F)Oc1ccccc1[C@@H]1C[C@@H]1c1nc(-c2ccc(N3CCCC3)cn2)no1 546503513 QBNKPPXVKGNGBR-HOTGVXAUSA-N 416.403 4.902 0 40 HJAB CC(C)CCOc1ccc(NC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)nn1 1586273071 KZWFFTWLIDJSGJ-UHFFFAOYSA-N 423.517 4.792 0 40 HJAB O=C1NCCc2ccccc2[C@H](c2ccccc2)N1C1CCN(C2CCCC2)CC1 1615529679 LSQLFVVZAIDKOX-VWLOTQADSA-N 403.570 4.751 0 40 HJAB Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C 1634082787 XEZHIJYGLYIJSM-LBPRGKRZSA-N 424.954 4.530 0 40 HJAB O=C(O)COc1ccc(CN2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)cc1 1848353340 SUIIHOHYTYWHHQ-JOCHJYFZSA-N 424.472 4.595 0 40 HJAB CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)OC1CCCCC1 676401 APQWWESOSGWSNQ-UHFFFAOYSA-N 408.955 4.532 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc2c3c4c(sc3nc(C)n12)CCCC4 792366 UGHVXGOAPSKIOI-UHFFFAOYSA-N 423.567 4.565 0 40 HJAB O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1ccc(Cl)cc1 837152 RELMYFIVCICSJT-UHFFFAOYSA-N 407.853 4.561 0 40 HJAB Cc1ccc2cc(CN(C(=S)NCc3ccco3)C3CCCC3)c(=O)[nH]c2c1C 874507 BMIOLIPQXBRONE-UHFFFAOYSA-N 409.555 4.557 0 40 HJAB Cc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)COc3ccccc3)n2)cc1 932693 PIRSZMFGXFDVQL-HXUWFJFHSA-N 408.523 4.710 0 40 HJAB Clc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCc3ccccc32)cc1 1360846 PRLQTMVOXHQQLB-HSZRJFAPSA-N 415.928 4.721 0 40 HJAB CCCCc1ccc(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)cc1 1784873 WEZLKJCKIYPSJS-UHFFFAOYSA-N 418.522 4.501 0 40 HJAB CCCc1cc(N2CCN(c3ccccc3)CC2)n2nc(C)c(-c3ccccc3)c2n1 2430608 SKOAAKFVAWAAAC-UHFFFAOYSA-N 411.553 4.984 0 40 HJAB COc1cc2ccccc2cc1C(=O)OCCOc1ccc(Br)cc1 3301228 CBWXCRVHDUKLEU-UHFFFAOYSA-N 401.256 4.847 0 40 HJAB Cc1nc(SCC(=O)Nc2cc(C)on2)c2c(-c3cccs3)csc2n1 3350110 RYUMWADTVPNXJV-UHFFFAOYSA-N 402.526 4.755 0 40 HJAB CCn1c(SCC(=O)c2cc(C)n([C@@H](C)COC)c2C)nnc1-c1ccccc1 3391656 USCLICQLKKQTDS-INIZCTEOSA-N 412.559 4.566 0 40 HJAB CCCCSc1nnc(CNC(=O)c2ccc(OC)cc2)n1C1CCCCC1 4087406 YKZGMTFXRCBQCL-UHFFFAOYSA-N 402.564 4.614 0 40 HJAB O=C(CSc1nccn1Cc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 4248745 ADJMAKZOITWNQM-UHFFFAOYSA-N 409.408 4.820 0 40 HJAB COc1ccc(Cl)cc1C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 4305556 FTUACGDCRSMWLS-IBGZPJMESA-N 412.942 4.944 0 40 HJAB Cc1cc(C(C)(C)C)oc1C(=O)NCCCNC(=O)c1oc(C(C)(C)C)cc1C 4571115 GMZKIIBEMYADPC-UHFFFAOYSA-N 402.535 4.634 0 40 HJAB Cc1cc(S(=O)(=O)NCCOC23CC4CC(CC(C4)C2)C3)c(Cl)cc1Cl 4580661 VYWXHISRWBKJCC-UHFFFAOYSA-N 418.386 4.566 0 40 HJAB COc1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)c(OC)c1 5274737 WWHQWGJOOZBLBF-BUXKBTBVSA-N 400.544 4.770 0 40 HJAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2cc(C)ccc2C)NC(=O)N1 5517252 AZWRXTURPPEQAD-SFHVURJKSA-N 403.404 4.589 0 40 HJAB CCOc1ccc(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3C)c2)cc1 6681757 UQUNPUJUJFGLSB-UHFFFAOYSA-N 416.524 4.508 0 40 HJAB Cc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)cc1 6752872 LFMIQZVWJQTVRT-VWLOTQADSA-N 409.489 4.879 0 40 HJAB aggregator O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc(Oc2ccccc2)cc1 7063997 OTOLHXWPKBESBB-UHFFFAOYSA-N 402.450 4.623 0 40 HJAB Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 7914377 KUTSTZBFVVRLAH-FQEVSTJZSA-N 403.507 4.518 0 40 HJAB COc1ccc2cc([C@H](C)C(=O)NCc3ccccc3CN3CCCC3)ccc2c1 8012467 UFDZMUZOEDPDJW-IBGZPJMESA-N 402.538 4.864 0 40 HJAB COc1ccc(-c2nc(NC(=O)c3ccc(N4CCCCC4=O)cc3)sc2C)cc1 8114663 INBFUYRLBGYKMA-UHFFFAOYSA-N 421.522 4.896 0 40 HJAB CCOc1ccccc1C(=O)Nc1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1 8662326 UAVIBFZFTMABBX-UHFFFAOYSA-N 421.405 4.526 0 40 HJAB COc1cc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c(OC)cc1Cl 9063444 YHLYDQVXEOXURV-UHFFFAOYSA-N 423.340 4.861 0 40 HJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)c3c(C)noc3n2)s1 9734179 JKPGPPCSWCLGCZ-UHFFFAOYSA-N 420.494 4.522 0 40 HJAB Cc1csc(N(C(=O)CSc2nnc(C)n2-c2ccccc2)c2ccccc2)n1 9959565 FRNWGMWOFKEBCP-UHFFFAOYSA-N 421.551 4.798 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 11339650 NRKQBPSOTFPZMB-UHFFFAOYSA-N 420.516 4.939 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)N(Cc2ccccc2)c2ccccc2)o1 11595936 OLZQJUDPRDTOGJ-UHFFFAOYSA-N 405.479 4.964 0 40 HJAB Cc1cccc(O[C@H](C)C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1 12654007 LVFHTFWBCDTRSX-MRXNPFEDSA-N 413.905 4.903 0 40 HJAB Cc1ccc([C@H](NCc2nc(COc3ccc(F)cc3)no2)c2ccccc2)cc1 12790487 XOGDGZDAKBRDFR-XMMPIXPASA-N 403.457 4.975 0 40 HJAB Cc1sc2nc([C@H](C)Sc3nc(C4CC4)n(-c4ccccc4)n3)[nH]c(=O)c2c1C 13120641 CCEGPOCOSDOJGY-ZDUSSCGKSA-N 423.567 4.913 0 40 HJAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)cc1 13871301 LEECXTUIQVZVAT-QGZVFWFLSA-N 424.570 4.865 0 40 HJAB O=C(c1ccc(CN2CCCCC2)cc1)N1CCC(c2nc3ccccc3o2)CC1 14226419 DCPIOSCMLCEJDC-UHFFFAOYSA-N 403.526 4.834 0 40 HJAB Cc1cccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)c1 15865415 YXWGQKMUNGBCAM-UHFFFAOYSA-N 414.465 4.534 0 40 HJAB COc1c(C)cccc1C(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C 17087543 GPLOUBZAYNBVKK-UHFFFAOYSA-N 406.873 4.952 0 40 HJAB COc1ccc(NC(=O)CN(C)C(=O)c2oc3c(ccc4ccccc43)c2C)cc1 17975959 TZALQKFRQIEQAG-UHFFFAOYSA-N 402.450 4.614 0 40 HJAB CC(C)c1ccc([C@H](NC(=O)CSc2nnc(NC3CC3)s2)C(C)C)cc1 19241373 KSOBDGWZIKJPKL-GOSISDBHSA-N 404.605 4.841 0 40 HJAB Cc1nc([C@]2(O)CCCN(CC(C)C)CC2)sc1CCOc1ccc(F)c(F)c1 19705446 SUOYXELUEFGFAM-QFIPXVFZSA-N 424.557 4.681 0 40 HJAB COC(=O)c1cc2cc(NS(=O)(=O)c3cc(C(C)C)ccc3OC)ccc2s1 20030042 DGOLJTZMDJBNJA-UHFFFAOYSA-N 419.524 4.621 0 40 HJAB CCN1CCN(c2c(Cl)cccc2NC(=O)C2(c3ccccc3)CCCC2)CC1 20096570 QVYKOXYZDYCTPO-UHFFFAOYSA-N 411.977 4.932 0 40 HJAB O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1cc(Cl)ccc1Cl 20457077 BCRYNKWOCGAZSD-UHFFFAOYSA-N 421.305 4.873 0 40 HJAB CCCOc1cccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCCC2)c1 27794882 FRHCZAYOZVKAGK-DEOSSOPVSA-N 410.558 4.831 0 40 HJAB biogenic Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)oc2c1C 28290359 XCCUGFPFXVKTGM-FQEVSTJZSA-N 424.928 4.630 0 40 HJAB COCc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)sc2cccc(F)c12 29490330 LRDUWUKIUUEMPZ-UHFFFAOYSA-N 418.921 4.803 0 40 HJAB CC[C@@H](C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1ccccc1 35598039 OSKKRCNIXOFJSQ-XMMPIXPASA-N 414.553 4.536 0 40 HJAB Cc1cccc(CN2CCC(C(=O)NCc3ccc(CN4CCCCC4)cc3)CC2)c1 38831219 DQZPKDYUUJQRJS-UHFFFAOYSA-N 419.613 4.509 0 40 HJAB Cc1c(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cnn1-c1ccc(F)cc1 40068158 SHXLRPLMJJNJOS-UHFFFAOYSA-N 402.473 4.821 0 40 HJAB CSc1cccc(NC(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)c1 40134478 ROBMEFBVHZOFOI-UHFFFAOYSA-N 420.460 4.806 0 40 HJAB CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 44803642 IWAWGFYLGAQNJA-HNNXBMFYSA-N 410.905 4.537 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccc(C)cc2Cl)nc2cc(C)[nH]c2c1=O 67238407 ULOUFPXJGVGCIF-UHFFFAOYSA-N 418.950 4.526 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2N(C(C)C)C(C)C)cc1 72213054 GKHFWXOBIXYHKI-JOCHJYFZSA-N 415.603 4.929 0 40 HJAB O=C(C1CCCCC1)N1CCC[C@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1 72374511 JQEWHXCBMFCCMX-NRFANRHFSA-N 403.530 4.814 0 40 HJAB Cc1cc(NC(=O)[C@H](Sc2nc3cc(Cl)ccc3n2C)c2ccccc2)no1 84119876 UJTKGMCEKLTQPG-GOSISDBHSA-N 412.902 4.995 0 40 HJAB CSc1cc(C(=O)NC2(c3nc(-c4ccsc4)no3)CCCCC2)ccn1 89493828 MWWUMMQJOBZGCQ-UHFFFAOYSA-N 400.529 4.504 0 40 HJAB COc1ccc(SCC2CCN(C(=O)CSc3ccc(F)cc3)CC2)cc1 90608275 BGYRTTVJPQIHDY-UHFFFAOYSA-N 405.560 4.957 0 40 HJAB O=C(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1cccc(C(F)(F)F)c1 96119635 RYVCUSBWELQZDX-UHFFFAOYSA-N 424.382 4.994 0 40 HJAB Cn1c(C2CCN(C(=O)CC3(n4cccc4)CCCCC3)CC2)nc2ccccc21 96231563 REEVIYRNONIQHR-UHFFFAOYSA-N 404.558 4.831 0 40 HJAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2c(Cl)cccc2Cl)cc1 100391211 JMQDJVKWVJQKTP-USEHDAJUSA-N 414.288 4.884 0 40 HJAB Cc1cccc2c(=O)c(-c3ccc4c(c3)OCO4)c(NC(=O)c3ccccc3F)oc12 101393916 GFWURBFEACSJFB-UHFFFAOYSA-N 417.392 4.889 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(NC(=S)N[C@@H]3C[C@H]4CC[C@H]3C4)cc2)cc1 102274133 ROAQTZWYGALKOS-HZUJVAHNSA-N 409.555 4.813 0 40 HJAB O=C(NC1CCCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 197753325 MTPDEVDDISRENY-DEOSSOPVSA-N 408.567 4.913 0 40 HJAB CC[C@@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1 216261810 VEBHLFHWNSDGMT-JOCHJYFZSA-N 422.550 4.985 0 40 HJAB Cc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222773727 VAPDLZUHUDVFRJ-HXUWFJFHSA-N 424.585 4.829 0 40 HJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccccc2)c1C 222871162 IBDASTSXEBFOSY-GOTSBHOMSA-N 404.583 4.931 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 223037662 LUNDWQZEKRDXNR-LJQANCHMSA-N 414.977 4.915 0 40 HJAB CC(C)c1ccccc1OCCNC(=O)[C@@H](C)Oc1ccc(Br)cc1 223797468 LNJNZMMGECGZLY-OAHLLOKOSA-N 406.320 4.535 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224139080 VPMACYWOHNWYRM-JOCHJYFZSA-N 412.961 4.749 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 224387111 MOIYKORDTKUTGK-QHCPKHFHSA-N 412.549 4.825 0 40 HJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CC 224493821 ZQVIFKWZFGELTK-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB CCOc1ccc(C(=O)N2CCOCC2)cc1COc1ccc(-c2ccccc2)cc1 224558068 KQRHKLVXPNULJT-UHFFFAOYSA-N 417.505 4.804 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)o2)c(OC)c1 224873362 ZEOFLWOIFRDVQS-AWEZNQCLSA-N 414.889 4.822 0 40 HJAB CCN(CC)Cc1ccc(NC(=O)c2ccc(C)cc2I)cc1 225024356 UXGLQWGMODESEK-UHFFFAOYSA-N 422.310 4.694 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 225243115 JQNXVXLDUOEHBX-QFIPXVFZSA-N 414.977 4.915 0 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O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1ccc(F)cc1 7545042 HHEQEHVMSANJMW-SFHVURJKSA-N 415.468 4.775 0 40 HJAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC2CCCCC2)c1 7916524 HGLHZGNBXQNYDK-UHFFFAOYSA-N 405.498 4.619 0 40 HJAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 8231719 GZJLLGCSQNFHTC-INIZCTEOSA-N 405.523 4.693 0 40 HJAB O=C(NCCCc1nc2ccccc2n1CCOc1ccccc1Cl)c1ccco1 8752639 JNFNFIGWNFSBOL-UHFFFAOYSA-N 423.900 4.724 0 40 HJAB Cn1cccc1[C@H]1CCCCCN1C(=O)COc1ccc(C(=O)c2ccccc2)cc1 8853367 OSVROVCYUWFVCE-XMMPIXPASA-N 416.521 4.779 0 40 HJAB O=C(OCC(=O)c1ccc(Cl)s1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 9590956 BVQUVDGZGVSRJJ-UHFFFAOYSA-N 423.881 4.689 0 40 HJAB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cc(Cl)ccc3Cl)co2)n1 9829241 JWQORNPCYLPBJR-UHFFFAOYSA-N 423.277 4.557 0 40 HJAB Cc1ccc2nc(CSc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)cc(=O)n2c1 9883847 DBVHPYCSLYWJFB-LBPRGKRZSA-N 424.551 4.532 0 40 HJAB CC(C)c1ccccc1NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10326691 IWYOVBIWDQJSGH-UHFFFAOYSA-N 402.560 4.512 0 40 HJAB C[C@@H](NC(=O)CCCSc1nc2ccccc2s1)c1ccc2c(c1)OCO2 10959750 PYFWWXSQKUKTOM-CYBMUJFWSA-N 400.525 4.775 0 40 HJAB COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)Nc1ncc(C)s1 12389713 FKIOUNYBWALDSK-UHFFFAOYSA-N 420.490 4.805 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCC[C@H]1c1nnc2n1CCCCC2 12801676 PNJAEFPGJFFHBD-VMSUTVGLSA-N 405.329 4.688 0 40 HJAB Cc1nc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(C(N)=O)c(C)c1C 12927362 VAPGESZWQUNXJY-UHFFFAOYSA-N 421.522 4.629 0 40 HJAB CCc1nc(C)c2c(C)c(C(=O)N(CC)Cc3ccc(OC)c(F)c3)sc2n1 12999302 MYRXYCRRMUXPQR-UHFFFAOYSA-N 401.507 4.681 0 40 HJAB COc1ccc(CNCC[C@@]2(Cc3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)cc1OC 13475958 FYBSRGAMRKRJQM-UZINWLIJSA-N 410.602 4.773 0 40 HJAB CCC(=O)Nc1ccc(C(=O)CSc2nc3cc4c(cc3cc2CC)OCO4)cc1 13503619 DIGWAHOWWWRISZ-UHFFFAOYSA-N 422.506 4.849 0 40 HJAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc(Br)cc1 13979538 USCGTFOPNCWVIA-UHFFFAOYSA-N 419.500 4.883 0 40 HJAB COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(OC)cc2)cc1 14706038 VRDAYLLXKGTPHA-UHFFFAOYSA-N 418.518 4.754 0 40 HJAB O=c1c2sccc2nc(SCc2nc(-c3ccc(Cl)cc3)no2)n1C1CC1 16843585 YPXCNWDUGRICQF-UHFFFAOYSA-N 416.915 4.789 0 40 HJAB CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4scnc4C)CC3)noc2n1 19522067 GTVQDTLLUAOWKS-UHFFFAOYSA-N 424.448 4.589 0 40 HJAB CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(Cl)c2)C1 19591709 QMVWYIHKQCBURU-VWLOTQADSA-N 419.956 4.583 0 40 HJAB O=C(O)COc1ccc(NC(=O)c2ccccc2Cl)cc1-c1nc2ccccc2o1 20157945 QJHVZBMKOLCGPA-UHFFFAOYSA-N 422.824 4.864 0 40 HJAB COc1cc(NC(=O)c2cccs2)c(-c2nc(-c3ccccc3)no2)cc1OC 20722282 NZWVCPOSAQHVAU-UHFFFAOYSA-N 407.451 4.735 0 40 HJAB CCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 20765642 NQSYLCCZLULWEN-UHFFFAOYSA-N 420.534 4.643 0 40 HJAB Cc1ccc(C)c(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)c1 21156602 HLBNOVPUZGYQPW-UHFFFAOYSA-N 414.465 4.534 0 40 HJAB O=C(CCN1CCN(CCc2ccccc2)CC1)Nc1ccccc1-c1ccccc1 22929911 BJLUFFPSIDVGJZ-UHFFFAOYSA-N 413.565 4.543 0 40 HJAB COc1ccccc1[C@H](CNC(=O)c1cc(C2CC2)nc2ccccc12)N1CCCC1 23795028 GLVHDELEELBORS-DEOSSOPVSA-N 415.537 4.688 0 40 HJAB CCNC(=O)c1c(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)sc2c1CCCC2 27582601 CHBBYHNHKWCRNE-UHFFFAOYSA-N 423.538 4.901 0 40 HJAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Br)cc1Cl 27978634 LTPUCMIUWCSEEL-AWEZNQCLSA-N 412.667 4.627 0 40 HJAB Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 30941805 XJCKPTQWOMVKCO-UHFFFAOYSA-N 416.525 4.508 0 40 HJAB O=C(Cc1noc(COc2cccc(C(F)(F)F)c2)n1)Nc1ccccc1Cl 35316261 ICFFFDLAPHWSCX-UHFFFAOYSA-N 411.767 4.502 0 40 HJAB O=c1c2c(-c3cccc(Cl)c3)n3ncnc3nc2ccn1CCC1=CCCCC1 40398025 BKGBPHJGQDWHLR-UHFFFAOYSA-N 405.889 4.650 0 40 HJAB COc1cc(CNC(=O)c2ccc(CN3CCCCCC3)cc2)ccc1OC(C)C 44905316 UTFOURQSGHNGJJ-UHFFFAOYSA-N 410.558 4.788 0 40 HJAB CCCn1c(NC(=O)c2c(Br)c3ccccc3n2C)nc2ccccc21 48253645 AWEQLYMZFKAPDE-UHFFFAOYSA-N 411.303 4.953 0 40 HJAB CC(C)Oc1ccc(CNC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 51315831 ZJIDGANRKALDFZ-UHFFFAOYSA-N 414.303 4.556 0 40 HJAB Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2)c1 57487418 XCFQOYJLKIPYFI-UHFFFAOYSA-N 421.547 4.795 0 40 HJAB COc1cccc(CN2CCC[C@H]([C@H](NC(=O)c3ccccc3)c3nccs3)C2)c1 72341442 QCWKLVUBLXGGEI-UNMCSNQZSA-N 421.566 4.535 0 40 HJAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 72377138 BKLWHRSNBOLVED-INIZCTEOSA-N 413.934 4.512 0 40 HJAB Cc1cc(Nc2ccccc2C(=O)O)c2cc(I)ccc2n1 78401656 LEBIWNVRMJVUHU-UHFFFAOYSA-N 404.207 4.590 0 40 HJAB O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N(c1ccccc1F)C1CCCC1 84505965 RHBQOCCJADHXBS-UHFFFAOYSA-N 415.408 4.709 0 40 HJAB COc1ccc(O[C@H](C)C(=O)NCc2sc(-c3ccccc3Cl)nc2C)cc1 90593141 GKTMYRAAZNEGEE-CQSZACIVSA-N 416.930 4.864 0 40 HJAB Cc1noc(C)c1CCC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12 96118819 XMWSARIPSUJOTH-UHFFFAOYSA-N 417.509 4.643 0 40 HJAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)c(C)c1 102109409 NCTPUZKBPBJTPD-UHFFFAOYSA-N 416.587 4.858 0 40 HJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1nc(-c2ccccc2Cl)no1 219049275 BLPNKEQASLGNNG-CQSZACIVSA-N 407.857 4.627 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4ccncc4)c3C)N21 222674877 DDPBXADSUZPBRQ-UEVCKROQSA-N 417.582 4.923 0 40 HJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 222938014 MZFGUZSVVCLQBP-SFTDATJTSA-N 421.522 4.668 0 40 HJAB CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 223334523 WJUUHYCXPCOADK-HSZRJFAPSA-N 406.913 4.746 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 224615116 FQYXFXZSCDFNRD-QGZVFWFLSA-N 418.990 4.764 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 224739185 SWAPQIDEWLETGE-OAQYLSRUSA-N 418.940 4.601 0 40 HJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccccc1C 224918704 ARPAHSHXGNTGGX-LEYFIJQKSA-N 402.494 4.935 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C)cc1 224929634 YPYASRZHJYQQBM-XMMPIXPASA-N 424.585 4.516 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C 225218284 PAKYAFAKMYACSN-XMMPIXPASA-N 424.560 4.933 0 40 HJAB COc1ccc(-c2nnc(NC(=O)CCCOc3ccc(Cl)cc3)s2)cc1 225313106 PAEDSLPJSWVIPC-UHFFFAOYSA-N 403.891 4.665 0 40 HJAB O=C1Nc2ccccc2[C@@]12Sc1nc(-c3ccccc3)c(-c3ccccc3)n1C2=O 226759255 JDCSZURHDZSZFO-XMMPIXPASA-N 409.470 4.811 0 40 HJAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408563174 UMWCMSRPDOWCIY-UHFFFAOYSA-N 416.330 4.668 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 408571710 DALSOVUEIXOZLA-FYWRMAATSA-N 420.490 4.650 0 40 HJAB CC(C)COc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1 408625720 FGLBVFFWZSOIJF-UHFFFAOYSA-N 403.504 4.597 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 408644328 SNCXPAJNSWLEQP-HXUWFJFHSA-N 422.525 4.642 0 40 HJAB Cc1cccc(C)c1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl 408664434 BZHWDHLKGUSEEY-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 408721142 DCMDRFRAWKHXEK-CJAUYULYSA-N 412.574 4.947 0 40 HJAB CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc(-c3ccccc3)nc2)c1 525581153 KIUJOVCBVNJLBW-UHFFFAOYSA-N 423.904 4.969 0 40 HJAB COc1ccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)c(OC)c1 660315 QYKBZDAUSMFJHL-UHFFFAOYSA-N 411.508 4.877 0 40 HJAB CCCc1nc2sc3c(NC[C@@H]4CCCO4)ncnc3c2c2c1COC(C)(C)C2 1254275 VLFWHRSJRLBRIS-ZDUSSCGKSA-N 412.559 4.634 0 40 HJAB CC(C)CC(=O)N[C@H](Nc1cccc(Br)c1)C(Cl)(Cl)Cl 2666954 OEKYPZBGSBVKRJ-LBPRGKRZSA-N 402.547 4.720 0 40 HJAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc(O)c2)N1Cc1ccc(F)cc1 2704495 YJMBJBBFEIOECJ-NRFANRHFSA-N 419.383 4.522 0 40 HJAB O=C(c1cc(Br)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 2776146 WXTPRKCPEMROKL-UHFFFAOYSA-N 414.130 4.718 0 40 HJAB O=C(CSc1cccc[n+]1[O-])Nc1ccccc1Sc1ccc(Cl)cc1 3222841 FGDUEMNULYDIIY-UHFFFAOYSA-N 402.928 4.855 0 40 HJAB Cc1ccc(NC(=O)CN(CCC(C)C)S(=O)(=O)/C=C/c2ccccc2)c(C)c1 3294066 OCQITYJJINDKSZ-FYWRMAATSA-N 414.571 4.591 0 40 HJAB CCn1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c(=O)c2ccc(C)nc21 3358935 KKJCBUGUALTJTC-UHFFFAOYSA-N 424.913 4.754 0 40 HJAB Cc1c(Cl)cccc1NC(=S)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 4033738 URAJUWYRMVQNON-IBGZPJMESA-N 400.910 4.855 0 40 HJAB CCc1ccc(OCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1 4386047 WGUOJDZPGYBDES-IBGZPJMESA-N 405.542 4.792 0 40 HJAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)N3CCCc4ccccc43)c12 4687053 XKZQTIVWBOXCGK-UHFFFAOYSA-N 414.427 4.928 0 40 HJAB COCCCNC(=O)CSc1[nH]c(-c2ccc(C)cc2)nc1-c1ccc(C)cc1 4927856 MKGXPNDWULKYTO-UHFFFAOYSA-N 409.555 4.605 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)OC1CCCCCCC1 4994596 ZVNQTEJBARPOMI-UHFFFAOYSA-N 408.564 4.959 0 40 HJAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nccn2-c2cccc(F)c2)c1C 5178173 SANFQLFYQKMRES-HNNXBMFYSA-N 401.507 4.612 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccncc2)N1CCc1ccccc1 5515976 LSBMNNUTFOXTLU-NRFANRHFSA-N 416.864 4.629 0 40 HJAB COc1ccc(NC(=O)CCCC2CCCCC2)cc1S(=O)(=O)N1CCCCC1 6049171 LOHWMUYPPYVAIT-UHFFFAOYSA-N 422.591 4.559 0 40 HJAB CN(Cc1ccccc1)C(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 6759418 AMCVOTITKUZUKX-MOPGFXCFSA-N 414.431 4.816 0 40 HJAB Cc1ccsc1/C=C1\C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)c2ccccc21 7167144 FQHNYDILLVMBIV-WQRHYEAKSA-N 403.459 4.508 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(c1ccccc1)c1ccccc1 7823799 KKVYMZMFHDSIMC-UHFFFAOYSA-N 409.533 4.997 0 40 HJAB O=C(CSc1ccccc1C(=O)Nc1ccc(F)cc1)NCC1CCCCC1 8133126 BCYRPBOWWJRWLI-UHFFFAOYSA-N 400.519 4.867 0 40 HJAB O=C(CNc1cccc(F)c1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 8156658 DCBMPTFKJQFMBD-IBGZPJMESA-N 403.413 4.955 0 40 HJAB NC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)CCC2)c1cccc(Oc2ccccc2)c1 8378278 FQTHJSUXAPFPMM-QHCPKHFHSA-N 415.493 4.706 0 40 HJAB CC(=O)c1cccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn(C)c2=O)c1 8613933 GDHCGVGROROLKJ-UHFFFAOYSA-N 423.472 4.569 0 40 HJAB C[C@@H](Oc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1-c1ccccc1 8718938 UXZKYPFGMQPKOL-GOSISDBHSA-N 400.478 4.886 0 40 HJAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 8959742 SKTLIYAAGPVAKN-UHFFFAOYSA-N 410.514 4.745 0 40 HJAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCc2cccs2)c1 9050547 WLMJZGPRTPZLRA-UHFFFAOYSA-N 417.534 4.641 0 40 HJAB Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2cccc(F)c2)no1 9187262 XNFYZBWZVKLQQY-IBGZPJMESA-N 424.815 4.940 0 40 HJAB COc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccs2)cc1 9463637 UGKRQKCMQZNMTB-UHFFFAOYSA-N 404.491 4.754 0 40 HJAB O=C(NCCSc1ncc(-c2ccc(F)cc2)[nH]1)c1ccc(Br)cc1 9713812 DBKGJUIWSQEUHA-UHFFFAOYSA-N 420.307 4.500 0 40 HJAB O=C(Nc1ccnn1Cc1cccs1)c1cc(=O)c2cc(Cl)cc(Cl)c2o1 12390126 OJHMRUZSBBVVEP-UHFFFAOYSA-N 420.277 4.658 0 40 HJAB O=C(/N=c1\scc(-c2ccc(C3CCCCC3)cc2)n1CCO)c1ccccc1 12560620 BOXVEHBLZGPKBB-IZHYLOQSSA-N 406.551 4.998 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12653940 RNFUORZCJMHGLE-BLDDEZIESA-N 416.631 4.567 0 40 HJAB biogenic C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(Cc1ccc(C(=O)Nc3ccccc3)cc1)C2=O 12975774 XAVWJXQTTYTAGF-SSOJOUAXSA-N 419.525 4.576 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(C(=O)O)cc1Br 13316479 MTFSLIXEXHOQEO-SNVBAGLBSA-N 412.667 4.515 0 40 HJAB Cc1ccc(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C)cc1C 13635629 DFYKCBQKHDZGKU-UHFFFAOYSA-N 405.889 4.931 0 40 HJAB CCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c2ccccc21 16162958 PPBYDGDDOVAIGK-NDENLUEZSA-N 419.506 4.645 0 40 HJAB Cc1cc([C@@H]2CCCCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)on1 19120162 CGWLCULULITPGL-INIZCTEOSA-N 415.444 4.598 0 40 HJAB CC(C)n1cc(CN2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccc(F)cc21 19454769 LFEAVEQHJLKAAV-UHFFFAOYSA-N 420.532 4.738 0 40 HJAB Cc1nc([C@H]2CCCCN2Cc2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 19755796 QAOIJBLVGHWTHG-JOCHJYFZSA-N 404.489 4.904 0 40 HJAB Cc1[nH]c2ccccc2c(=O)c1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 19793710 TYXUOBQIDODTGH-UHFFFAOYSA-N 423.560 4.744 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 20041450 SWGJBQCVFXGTQO-GOSISDBHSA-N 408.523 4.595 0 40 HJAB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 25680607 XIMWIRMKTIHZAE-HOYKHHGWSA-N 418.537 4.652 0 40 HJAB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 26531475 KVKNRGBCRBTTIT-YBEGLDIGSA-N 404.285 4.694 0 40 HJAB Cc1ccc2c(c1)CCCN2C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C 26934312 XEGTYKVQDNPEPV-UHFFFAOYSA-N 402.523 4.907 0 40 HJAB CCc1c(C)sc2c1c1nc(-c3ccccc3)nn1c(=O)n2Cc1ccc(F)cc1 32104166 DLLVVLOLNCYORF-UHFFFAOYSA-N 418.497 4.831 0 40 HJAB Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCC[C@H](C)C2)cc1 36095968 YVOANIYRTYKMGW-MAUKXSAKSA-N 408.527 4.886 0 40 HJAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)c(OC)c1OC 40267535 YFMHMDRAHGHIQE-HNNXBMFYSA-N 413.861 4.675 0 40 HJAB CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2C)C1 44803646 XAMLLLYBYWCXAX-INIZCTEOSA-N 424.932 4.845 0 40 HJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1Cl 56172912 YNSKZCVMDDPHOF-UHFFFAOYSA-N 409.711 4.883 0 40 HJAB CCN(CC)C(=O)c1cccc(NC(=O)CN[C@H](C)c2cccc3ccccc23)c1 57442463 XKXLIJQRSPPAQJ-GOSISDBHSA-N 403.526 4.611 0 40 HJAB COc1ccc(CNC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)cc1OC 58202438 RYDFHTRPVLICSI-ADXLDGDMSA-N 405.538 4.858 0 40 HJAB Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2c(C)cccc2Cl)c1 67246456 LGCFQAICCBWATB-UHFFFAOYSA-N 410.905 4.513 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)cc1 72349554 SNJNYKYMFFMUNW-FQEVSTJZSA-N 404.485 4.845 0 40 HJAB Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2Cc2ccc3c(c2)CC(C)(C)O3)n1 72372695 MFIXDYRVMWKUJR-JOCHJYFZSA-N 415.541 4.974 0 40 HJAB Cc1noc(C)c1CC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C 84023112 DTZOEJNIDIUNNA-CHWSQXEVSA-N 403.910 4.529 0 40 HJAB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 96295709 KHHCYVQXMCAFRN-BDTNDASRSA-N 418.880 4.700 0 40 HJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118934461 JIAQXWKDZDJACF-NUYHECPUSA-N 418.574 4.867 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc(Br)cc1 219689108 JKNCIYPTYHJKSU-RDTXWAMCSA-N 418.331 4.943 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1C 222849849 QONCJGXLBGGINC-GOSISDBHSA-N 414.977 4.831 0 40 HJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 222938082 MZFGUZSVVCLQBP-RTWAWAEBSA-N 421.522 4.668 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 223592731 XOEKUBYNSOVFBN-HSZRJFAPSA-N 410.558 4.569 0 40 HJAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1C 223972097 GKCAZJYADUUSPW-QHCPKHFHSA-N 422.550 4.985 0 40 HJAB Cc1ccccc1CN(C(=O)COc1ccc(C(C)C)cc1)[C@@H](C)C(=O)NCC(C)C 224134200 GGTPIDWMHWCCBQ-NRFANRHFSA-N 424.585 4.687 0 40 HJAB CCc1ccc(OCC(=O)Nc2nnc(-c3ccccc3)s2)c(Br)c1 224137591 JOOBWGNUUKHKOC-UHFFFAOYSA-N 418.316 4.548 0 40 HJAB Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1N(C)S(=O)(=O)c1ccccc1 224288394 YKFCTHSOCXQBKF-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COc1cccc(C)c1 224388354 YZNIMRFUKIKEEZ-UHFFFAOYSA-N 419.477 4.631 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 224548288 RIIAYEHRLRWCGX-DEOSSOPVSA-N 424.585 4.695 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 224699350 LVJHDXYVLVTLOB-SFHVURJKSA-N 400.950 4.525 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225454697 MVHUISPKKMHLJT-KRWDZBQOSA-N 418.990 4.764 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 225556974 VSFDRCUCMVPQQR-UGKGYDQZSA-N 412.599 4.809 0 40 HJAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(Br)cc1 225739110 CCYMWVSOXXWSMU-CQSZACIVSA-N 404.377 4.577 0 40 HJAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1-c1cn2c(n1)SCC2 244975039 HZCYDIKKTKLTBL-UHFFFAOYSA-N 403.429 4.856 0 40 HJAB CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 257270142 MSXYKCKYWVLBFZ-WIYYLYMNSA-N 424.610 4.747 0 40 HJAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2 390831826 VGPHAJFVURVFNL-IRXDYDNUSA-N 424.501 4.951 0 40 HJAB Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccccc1Cl 408560811 FDWDHQDWQJULIC-UHFFFAOYSA-N 422.941 4.943 0 40 HJAB CCOc1ccc(N2C[C@@H](C(=O)NC3CCC(C(C)(C)CC)CC3)CC2=O)cc1 408707109 GXRTZLHMIKXADK-VIQWUECVSA-N 400.563 4.549 0 40 HJAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C 409170103 SXHDKGQQPJYXDZ-NHYWBVRUSA-N 413.374 4.576 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2C)c1 409410891 RYISAONIILJJKW-UHFFFAOYSA-N 412.486 4.804 0 40 HJAB Cc1ccc(-n2ncc3c(N)c4c(nc32)C[C@H](c2cc(F)cc(F)c2)CC4=O)cc1C 618257508 YRWBDESNEDJEOR-HNNXBMFYSA-N 418.447 4.810 0 40 HJAB COc1cc2sc(C(=O)Nc3cccc(OC)c3OC)c(Cl)c2cc1OC 666407 AHYGQOPZPMXJHX-UHFFFAOYSA-N 407.875 4.841 0 40 HJAB COC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CC[C@H](C(C)(C)C)C2 689175 OOOCZQSXSWFSEO-ZDUSSCGKSA-N 415.511 4.667 0 40 HJAB CCOC(=O)[C@H](CC)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 950721 FHMPOSFSXFAVBF-INIZCTEOSA-N 402.830 4.959 0 40 HJAB biogenic,in-vitro CCC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccc(C(C)(C)C)cc3)c(=O)c2c1 1363129 QSGKZMFKHNMPAI-UHFFFAOYSA-N 403.526 4.968 0 40 HJAB CCCCc1nc2sc3c(NCCOC)nc(SC)nc3c2c2c1CCC2 2368250 MTOXJNLHAYAVMT-UHFFFAOYSA-N 402.589 4.851 0 40 HJAB COc1ccc(OC)c(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)c1 2415663 CUVBRLHBBVTDSY-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(CCCOC(C)C)C3=O 2421394 OBCWXZJLHITRFO-OAQYLSRUSA-N 409.457 4.601 0 40 HJAB CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccccc1 2428983 NNKTVPRKBUCQAU-HXUWFJFHSA-N 411.885 4.807 0 40 HJAB CCc1nnc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)s1 2622691 KDUNBMMYHQDSDQ-UHFFFAOYSA-N 417.947 4.774 0 40 HJAB Cc1cccc(-n2nnnc2S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 2623089 FWYZXVXIESFNCI-FQEVSTJZSA-N 419.485 4.582 0 40 HJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc(=O)c2ccccc2o1 3214241 ZENASDVESFVJFD-UHFFFAOYSA-N 419.458 4.951 0 40 HJAB O=C(c1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc(Cl)cc3)c(=O)n1C2 4237113 ACDPIOPOGYZUHI-MAUKXSAKSA-N 422.887 4.567 0 40 HJAB biogenic,in-vitro Cc1cccc(N2CCN(c3ccc(NCc4nc5ccccc5n4C)cc3)CC2)c1 4649809 WGUIPEZUXHHJHP-UHFFFAOYSA-N 411.553 4.820 0 40 HJAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccccc1N1CCOCC1 4849301 QYOCXBPMYJJAFB-UHFFFAOYSA-N 421.566 4.673 0 40 HJAB CCC(C)(C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)C(C)(C)O2 4965845 LRVSZZHXMSNKTQ-UHFFFAOYSA-N 414.933 4.963 0 40 HJAB CCOC(=O)c1c(NC(=O)/C=C/C2=Cc3ccccc3OC2)sc2c1CCCC2 5034448 XZGMBRUAGDFFQC-VAWYXSNFSA-N 409.507 4.774 0 40 HJAB Cc1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c1C 5619852 RMZKXXCDCXJGEJ-NQIIRXRSSA-N 412.530 4.741 0 40 HJAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N[C@H](C)CCc3ccccc3)n2)cc1 6214805 YMSQJZPUWYNOPB-IAGOWNOFSA-N 408.571 4.652 0 40 HJAB O=C(CSc1nc2ccccc2[nH]1)N1c2ccccc2OC[C@@H]1c1ccccc1 6651972 UQOBUBXWQDGJQN-HXUWFJFHSA-N 401.491 4.822 0 40 HJAB COc1ccc(-c2nnc(SC[C@H]3CCCO3)n2C2CCCCC2)cc1OC 7080980 VQPINUVOTSRDBY-QGZVFWFLSA-N 403.548 4.739 0 40 HJAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2F)c(C)n1Cc1ccccc1 7934421 PUBFYIUOGVLABB-INIZCTEOSA-N 412.436 4.615 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1Cl 8335556 OMBVBMYJRUJPIF-UHFFFAOYSA-N 406.873 4.952 0 40 HJAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)N1c1ccccc1 8448811 XFBAPSGNWAAXCA-QHCPKHFHSA-N 419.868 4.997 0 40 HJAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3c[nH]c4ccccc34)o2)c(OC)c1 8707629 WSVBYGYVNGOIKI-LBPRGKRZSA-N 409.467 4.599 0 40 HJAB O=C(Nc1nc(-c2cccs2)cs1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 9244809 MDRUQGYQFAOHIR-CMDGGOBGSA-N 423.563 4.762 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3cccnc3Cl)n2)cc1Br 9345311 KCNLBGLXPDOHRZ-UHFFFAOYSA-N 424.707 4.882 0 40 HJAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ccc(F)c(Cl)c1 10489968 NBNJZIUYQRVRFM-UHFFFAOYSA-N 419.890 4.618 0 40 HJAB COc1cc(OC)c(C2=CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(OC)c1 11918516 UJIQQTQIKKGATC-UHFFFAOYSA-N 421.415 4.661 0 40 HJAB O=C(O[C@H]1CCCCNC1=O)c1ccccc1Nc1ccc(SC(F)F)cc1 12537797 WADOFKDPJOFXRK-KRWDZBQOSA-N 406.454 4.570 0 40 HJAB CC(=O)Nc1cccc(Nc2nnc(SCC(=O)c3cc(C)ccc3C)s2)c1 12546084 KMWZGWWHTAXKJU-UHFFFAOYSA-N 412.540 4.832 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 12594220 QYUWIRLUUXAHPA-SFTDATJTSA-N 417.534 4.924 0 40 HJAB O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCC[C@H]1c1cccs1 13069027 YIACVWGZYBMEPS-IBGZPJMESA-N 412.536 4.526 0 40 HJAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(I)cc2C)c1 13710599 FMNONFSTUCNCKJ-AWEZNQCLSA-N 409.267 4.622 0 40 HJAB CN(CC(=O)Nc1ccccc1Cc1ccccc1)Cc1cnn(-c2ccccc2)c1 14022251 DKUIWUUAZGXADF-UHFFFAOYSA-N 410.521 4.534 0 40 HJAB CCn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccccc1 14075057 AVKQICZFSYDCCM-HXUWFJFHSA-N 406.555 4.811 0 40 HJAB COc1ccc(-c2nc(CNC(=O)COc3ccc(C(C)(C)C)cc3)cs2)cc1 15832734 IPDVAZFETWRFHJ-UHFFFAOYSA-N 410.539 4.811 0 40 HJAB COc1ccc(OC)c(N/C=C2\C(=O)N(c3cccc(C)c3)C(=O)c3ccccc32)c1 16745575 UZBGIHMQFCXKDC-QNGOZBTKSA-N 414.461 4.652 0 40 HJAB CN(C)c1cccc(-c2nnc(SCc3ccc(Br)cc3)n2C)c1 17082620 UPCJKFIMPVYIFE-UHFFFAOYSA-N 403.349 4.603 0 40 HJAB COc1ccccc1CN1CCC[C@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 19570222 ABLIGMZVMXTMTD-BKMJKUGQSA-N 421.585 4.740 0 40 HJAB C[C@H](C(=O)NCc1ccccc1N1CCCC1)n1c(C(F)(F)F)nc2ccccc21 19718446 AXAFFEIQGFPLFT-OAHLLOKOSA-N 416.447 4.533 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c(C)c1 20492709 BZRABGZXVGQLSW-IBGZPJMESA-N 422.550 4.904 0 40 HJAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCC)c(OCC)c1 20633534 BMCHERNSNCRNHN-JOCHJYFZSA-N 421.497 4.686 0 40 HJAB O=C(Nc1cccc2cnccc12)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 21218895 NOOKXCKIIDSULI-HXUWFJFHSA-N 409.489 4.879 0 40 HJAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1 21905646 SYPDFYXAZSBIMZ-QFIPXVFZSA-N 408.523 4.677 0 40 HJAB CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 22460137 LLYIUPRXVAQFCM-XMSQKQJNSA-N 413.631 4.543 0 40 HJAB O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccccc2Cl)c1 23080909 QZFIBSKBKQLKBI-UHFFFAOYSA-N 401.875 4.785 0 40 HJAB O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)c1ccc(C(F)(F)F)cc1 27921128 APDYCSJQBXMADK-UHFFFAOYSA-N 424.220 4.965 0 40 HJAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1cc(-c2ccccn2)nc2ccccc12 30128548 LCDAEZOVWQNSPB-UHFFFAOYSA-N 422.488 4.672 0 40 HJAB COc1ccc(-c2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)co2)cc1 32906038 BLPLUOWKNJYVDV-UHFFFAOYSA-N 417.431 4.691 0 40 HJAB COc1ccc(NC(=O)COc2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)cc1 33012353 SRIVIFBIIFUFIO-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB O=C1CCCc2[nH]c(=O)c(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc21 40057686 KISDKTCYNQUIQW-UHFFFAOYSA-N 408.841 4.592 0 40 HJAB Cc1cccc(N(C)C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c1C 48374088 PLUFYPCHDXFDCF-UHFFFAOYSA-N 408.571 4.804 0 40 HJAB COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)no2)cc1Cl 57486837 GEQYYWSWIVEEQK-UHFFFAOYSA-N 422.872 4.814 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(F)c3C)oc12 67293667 BFCNVMBSJUCYSG-RWEWTDSWSA-N 403.413 4.769 0 40 HJAB CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)Cc1nnc(-c2ccco2)o1 72313467 PUBIXRCOUMWOPX-UHFFFAOYSA-N 423.344 4.980 0 40 HJAB COc1ccccc1CN1CCC[C@@H]([C@H](NC(=O)c2cccs2)c2ccccn2)C1 72330409 BFNRFIIFQPRIMC-XXBNENTESA-N 421.566 4.535 0 40 HJAB CCCC(=O)N1CCC(Cc2ccccc2-c2ccccc2C)(C(=O)N(C)C)CC1 72345136 ZFEYULJCPCNUAK-UHFFFAOYSA-N 406.570 4.702 0 40 HJAB C[C@H](CCN1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1)c1ccccc1 72352157 POSIEXXACDQZOB-HXUWFJFHSA-N 420.601 4.597 0 40 HJAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)c3c(C(C)C)noc3C)n2)n1 72375488 UPNHCJCJAOCIOT-GOSISDBHSA-N 420.517 4.629 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2cccc(OC)c2)n1 72390676 ODGXVGVOGSALOU-JOCHJYFZSA-N 416.525 4.867 0 40 HJAB O=C1N=C(Nc2cc(F)c(F)c(F)c2)/C(=C/c2cc3ccccc3[nH]c2=O)S1 72400820 YWKNZODWFAUMKN-UUASQNMZSA-N 401.369 4.664 0 40 HJAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C)c2)C12CCCCC2 72401215 JSQSLHMQBJWKBM-QFIPXVFZSA-N 406.526 4.522 0 40 HJAB COc1cc(COCC2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc(OC)c1 77099663 RNSPDTCRILMSFI-UHFFFAOYSA-N 421.896 4.565 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 222413660 WNBFMKLOMXZXJY-QFIPXVFZSA-N 412.599 4.560 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 222545071 DVVDOFGCUZRAHN-JOCHJYFZSA-N 414.977 4.831 0 40 HJAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)COc1ccccc1C(C)(C)C 222803458 VELJXYUJUXJZCP-UHFFFAOYSA-N 413.905 4.725 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C 224702450 GWTXMGKVRJTVGJ-HXUWFJFHSA-N 424.585 4.615 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 225041309 VYMNKZBPMHNLHP-NHCUHLMSSA-N 424.585 4.829 0 40 HJAB COC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2C)c1C 225601034 FZLLMQVLDSIABI-UHFFFAOYSA-N 402.585 4.700 0 40 HJAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@H](CC)c3ccc(C)cc3C)ccc21 225733930 ZNEROIDSHBEGON-GOSISDBHSA-N 418.584 4.519 0 40 HJAB CCOc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 225785825 SLAWIBIKSCYKOY-HKWRFOASSA-N 406.507 4.865 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cccc(C(F)(F)F)c1 225814073 NNNLGGXUQPLPBF-KRWDZBQOSA-N 409.404 4.511 0 40 HJAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C)n1 225868884 OCNHZBQYLHWCQT-UHFFFAOYSA-N 402.922 4.909 0 40 HJAB CC1=CCC[C@H](C)[C@@H]1CN1CC[C@@]2(COCc3cnc(NCc4ccccc4)nc32)C1 247867237 JLXOAABJPNYWPB-CLLDFNAGSA-N 418.585 4.555 0 40 HJAB CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)[nH]n1 257218209 DCGHINXOBDILGP-LJQANCHMSA-N 410.493 4.793 0 40 HJAB CCc1n[nH]c(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)c1C 257236963 HEPPGNKRCIUGIZ-MRXNPFEDSA-N 412.921 4.533 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)Nc1cccc2ccccc12 409364120 VHTCPJQSRRANHT-XDHOZWIPSA-N 406.438 4.654 0 40 HJAB Cc1cccc(C)c1OCCCNC(=O)Nc1ccc(OCc2ccncc2)cc1 591515356 XVYPLAOEEHOPBB-UHFFFAOYSA-N 405.498 4.868 0 40 HJAB O=C(Nc1cccnc1Cl)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 673935 GTTFBRYMKQDKAA-CABCVRRESA-N 421.810 4.844 0 40 HJAB O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(Br)cc1 884987 MZDSMXWDEFHPEZ-UHFFFAOYSA-N 408.708 4.797 0 40 HJAB CC(C)(C)CC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccncc4)n3)ccc21 1366791 VRFFTAAEUWJUAE-UHFFFAOYSA-N 420.538 4.783 0 40 HJAB COC(=O)COc1cc2c(cc1[C@H](C)c1ccc(OCc3ccccc3)cc1)OCO2 1582483 KUAZDULXICHRRP-QGZVFWFLSA-N 420.461 4.698 0 40 HJAB O=C1N(c2ccccc2)C(=O)[C@@]2(SC=NN2Cc2ccccc2)N1c1ccccc1 1620855 SYNKJCGMHUAQMQ-QHCPKHFHSA-N 414.490 4.506 0 40 HJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@H](C(C)C)OC3 2269096 KZCFVTCBBGNQRL-MRXNPFEDSA-N 400.569 4.965 0 40 HJAB CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(F)cc2)s1 2704411 APVVTCUWIBNJPM-KRWDZBQOSA-N 421.453 4.657 0 40 HJAB CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)c1 2704641 PHFYTOUYYHJTPO-QFIPXVFZSA-N 412.445 4.645 0 40 HJAB CC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1NCCC1=CCCCC1 3299969 LENSDIYPRAPJSK-UHFFFAOYSA-N 420.509 4.987 0 40 HJAB C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)N(C)c1ccccc1 3521284 HMFZWNDLWLVVBP-MRXNPFEDSA-N 400.434 4.703 0 40 HJAB O=C(CSc1nnc(-c2cccnc2)n1CCc1ccccc1)c1ccccc1 4163637 MDCYTDPPZISTPR-UHFFFAOYSA-N 400.507 4.558 0 40 HJAB COC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12 4784730 FQHCBTOCKJOUFN-RUZDIDTESA-N 410.473 4.862 0 40 HJAB CN1CCN(C(=S)c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)CC1 5879268 GRFSWTCGIIFDOT-UHFFFAOYSA-N 418.393 4.919 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1cccc(Cl)c1 6084133 GEXAAHSOLCBFSX-JTQLQIEISA-N 402.661 4.596 0 40 HJAB COC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C(=O)OC)c1C 6254264 BFONAWLHTBBFAA-UHFFFAOYSA-N 409.463 4.549 0 40 HJAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2ccc(Cl)cc2)n1 6464232 HOZMZYDYMCGSAD-UHFFFAOYSA-N 409.298 4.518 0 40 HJAB O=C(COC(=O)CCC(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 7396113 MYEQGSWEALSIPH-UHFFFAOYSA-N 413.779 4.504 0 40 HJAB CCn1c(C)cc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c1C 7844223 RHHYYNAERYODJY-UHFFFAOYSA-N 400.573 4.679 0 40 HJAB Cc1ccc(-c2nc(CSc3nnc(NC[C@@H]4CCCO4)s3)cs2)cc1 8327265 IFBUKIQJMSONHI-HNNXBMFYSA-N 404.586 4.853 0 40 HJAB Cc1nc(-c2cccs2)sc1C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 8745067 DGKWAHOUSFTCBK-UHFFFAOYSA-N 420.943 4.925 0 40 HJAB O=C(CSc1ncnc2ccccc12)N1CCC(c2nc3ccccc3s2)CC1 9376813 YVYCVJAQJNPGFL-UHFFFAOYSA-N 420.563 4.738 0 40 HJAB CC[C@@H](C)N(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(F)cc1 10537116 LSVNKKUOFSTONE-CYBMUJFWSA-N 423.897 4.519 0 40 HJAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3cccc4ccccc34)ccc21 10972316 NSQGOTBMCCZQAU-UHFFFAOYSA-N 402.494 4.793 0 40 HJAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccccc1CC 11118805 LHIMWVUKPLTRTJ-UHFFFAOYSA-N 420.534 4.626 0 40 HJAB O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccc1Oc1ccccc1 11474821 KMABEPSSQJYHJC-UHFFFAOYSA-N 402.479 4.790 0 40 HJAB O=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1ccc(Cl)cc1Cl 11693290 RBEOSQOWYDIHRF-UHFFFAOYSA-N 402.281 4.636 0 40 HJAB COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 12194827 PTNBXHSCYUAXFG-WIYYLYMNSA-N 408.841 4.962 0 40 HJAB O=C(O[C@@H]1CCCCNC1=O)c1ccccc1Nc1ccc(SC(F)F)cc1 12537795 WADOFKDPJOFXRK-QGZVFWFLSA-N 406.454 4.570 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)[C@@]3(C)CC3(Cl)Cl)ccc21 12545452 CZESNKGQUPWQGV-HXUWFJFHSA-N 419.308 4.880 0 40 HJAB CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(=O)oc2cc3c(cc12)CCC3 13040226 XCCHYMXISKAQRH-UHFFFAOYSA-N 424.928 4.704 0 40 HJAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCCN1C(=O)C1CCCCC1 13227558 QGBQNGFXQXULFY-QGZVFWFLSA-N 420.475 4.900 0 40 HJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 14187004 XHMAPXYXWXCADS-UHFFFAOYSA-N 424.426 4.771 0 40 HJAB Cc1ccc(-c2csc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 14376375 AUQQHUPWAPXZHS-UHFFFAOYSA-N 420.943 4.574 0 40 HJAB COc1ccccc1-c1c(C)nn2c3c(nnc12)C(=O)C[C@H](/C=C/c1ccccc1)C3 14607717 WPVGECBTHZOZSF-QFQMRYFISA-N 410.477 4.567 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3OC)n2)cc1OC 16006457 JPBFTMMSXWICIR-UHFFFAOYSA-N 404.875 4.742 0 40 HJAB Cc1ccc(S(=O)(=O)CC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 17043546 RRYIYPWWHZJZOG-UHFFFAOYSA-N 422.531 4.684 0 40 HJAB NC(=O)c1c(NC(=O)COc2ccc(C3CCCCC3)cc2)sc2c1CCCC2 17089343 CGXOUNKWHQBTHW-UHFFFAOYSA-N 412.555 4.791 0 40 HJAB Cc1cccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)c1 17091090 GQHAKDGLFCSIEB-UHFFFAOYSA-N 417.490 4.944 0 40 HJAB O=C(C1CC1)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 19294062 FBIAITVIASLSSB-SFHVURJKSA-N 417.488 4.537 0 40 HJAB CC(C)[C@@H](NCc1ccc(Cl)c(Cl)c1)c1cc(=O)nc(-c2cccnc2)[nH]1 19445667 GBYMQTPYFNAXPJ-LJQANCHMSA-N 403.313 4.626 0 40 HJAB Cc1nn2c(nnc3c(=O)n(-c4ccccc4Cl)ccc32)c1-c1ccc(Cl)cc1 19821534 VFAPBNYGGZZTCQ-UHFFFAOYSA-N 422.275 4.711 0 40 HJAB COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1Cl 20044717 MENFJPUQMQNXBW-NRFANRHFSA-N 401.915 4.725 0 40 HJAB CSc1cccc(NC(=O)c2cnc3scc(-c4ccc(F)cc4)n3c2=O)c1 20767937 GDKDQAMWINGBCI-UHFFFAOYSA-N 411.483 4.536 0 40 HJAB Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2Nc2ccc3c(c2)OCCO3)n1 20851867 RLZUEJGRJLRWCR-UHFFFAOYSA-N 407.861 4.601 0 40 HJAB O=C(CC1CCCC1)N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 23057477 IQPMBPVCRGCAGX-UHFFFAOYSA-N 406.555 4.587 0 40 HJAB COc1cc(CNCCn2ccnc2)ccc1OCc1ccc(Cl)cc1Cl 25359725 SQFUNIBMXLQBDO-UHFFFAOYSA-N 406.313 4.567 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1 32087855 JWWIWANXGVEAGJ-SFHVURJKSA-N 422.872 4.886 0 40 HJAB O=C(Cc1ccc(Cl)cc1)Nc1cc(Br)c(O)c(Br)c1 32116553 HWECOFZFJJHWRZ-UHFFFAOYSA-N 419.500 4.752 0 40 HJAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)N[C@@H](C)c4ccccc4)cc3)n2)cc1 32578773 MHOGXRZTCQGAEJ-SFHVURJKSA-N 413.477 4.968 0 40 HJAB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(c2nc3ccccc3s2)CC1 32913194 FMGQIBZZZCECLV-UHFFFAOYSA-N 424.526 4.521 0 40 HJAB COc1c(Br)cc(CNc2cccc(C(=O)O)c2)cc1Br 35018462 OVXVAYVRDVSFEQ-UHFFFAOYSA-N 415.081 4.531 0 40 HJAB COCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)c1ccc(F)cc1 35291148 MKRNXAGIXLJXQY-UHFFFAOYSA-N 400.881 4.933 0 40 HJAB CCn1nc(C)c2c(C(=O)Nc3ccccc3OC)cc(-c3ccc(C)cc3)nc21 36613275 HIQHZYGJLLNCAL-UHFFFAOYSA-N 400.482 4.996 0 40 HJAB O=C(Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCC(F)(F)F 44036151 WNLIYTXHLWCGAF-UHFFFAOYSA-N 419.325 4.570 0 40 HJAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@H](c1ccccc1F)c1nccn1C 44380316 TYVAIYWTBPGZBY-HRAATJIYSA-N 409.505 4.530 0 40 HJAB CN(c1ccc(C(=O)Nc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1 59472919 DOVJYSOFZUOTOL-UHFFFAOYSA-N 416.502 4.917 0 40 HJAB O=C(c1csc(-c2ccc(Cl)s2)n1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 84445405 HENAJMSCFWJEFT-VXGBXAGGSA-N 415.005 4.652 0 40 HJAB CN(Cc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC(C)(C)C 89661720 YYNFVDCTFGNMAR-UHFFFAOYSA-N 410.923 4.508 0 40 HJAB COC(=O)c1nc(NC(=O)c2sc(C)nc2C(C)C)sc1Cc1ccccc1 96232540 GWRRADVNUOZHRV-UHFFFAOYSA-N 415.540 4.661 0 40 HJAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2 100419768 NJVPMCYQFRGQLC-JDLSMLMRSA-N 407.602 4.840 0 40 HJAB Nc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)sc2nc3c(cc12)CCCCC3 215708397 OZNJKXCGSFTKFC-UHFFFAOYSA-N 406.433 4.814 0 40 HJAB COC(=O)c1cn(C(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc12 222625083 OZXQKANCYVSBSW-UHFFFAOYSA-N 410.901 4.634 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 223174450 IBKBZYGJPWIYLU-LJQANCHMSA-N 414.977 4.915 0 40 HJAB Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccco1 223354977 LLPGALRXDCRWAX-GOTSBHOMSA-N 414.534 4.946 0 40 HJAB COc1cc(C)c(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1C(C)C 223643723 ZFEKWZNPTSEGMU-UHFFFAOYSA-N 413.539 4.638 0 40 HJAB Cc1cccc(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1C 223900148 GMKWIQBUXGENOG-UHFFFAOYSA-N 414.549 4.671 0 40 HJAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccccc1C 224100195 POZWXPYGKSTKTB-UHFFFAOYSA-N 407.466 4.852 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224752911 ZKDQDPIYOJYIRE-NRFANRHFSA-N 406.570 4.712 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 225162473 QGXQLJAOCNDWFD-RTBURBONSA-N 414.977 4.831 0 40 HJAB Cc1ccc(-c2nnc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)s2)cc1 225246597 ZKMWZKQSZGBYDE-UHFFFAOYSA-N 414.339 4.762 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(Cl)c(Cl)c3)n2)cc1 225340569 AVPIROFJXBFBMY-UHFFFAOYSA-N 404.297 4.943 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 225478309 ALWPIOUNVSRRME-REWPJTCUSA-N 410.558 4.568 0 40 HJAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C(=O)OC 225684419 BASDLENIDWEUHL-UHFFFAOYSA-N 401.890 4.976 0 40 HJAB CCc1cccc(CC)c1NC(=O)Cn1ccc(=O)c2cc(Br)ccc21 225731166 TUWMKQDRRPPHBO-UHFFFAOYSA-N 413.315 4.528 0 40 HJAB COC(=O)c1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 226317777 RNIMPBSCZSVSOB-UHFFFAOYSA-N 413.598 4.539 0 40 HJAB O=C(O)c1ccc(-c2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)cc2)o1 226353598 GARZFYLJDODKAK-UHFFFAOYSA-N 412.250 4.752 0 40 HJAB O=C(CCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21 257199330 ZXJAOWMVDHPZJN-IMBWNBOCSA-N 403.570 4.522 0 40 HJAB O=C(O)c1cccc(CN2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)c1 257283300 OXSCZIJXOLHOHN-LJQANCHMSA-N 410.901 4.997 0 40 HJAB CNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)CC(C)(C)C)CC1 257285095 PFQHPFKTQJEZFB-UHFFFAOYSA-N 420.597 4.996 0 40 HJAB Cc1cc2ccccc2n1CCC(=O)N1CCCC[C@H]1c1nnc(-c2ccccn2)o1 257297418 RHELFKPZJZQDEP-NRFANRHFSA-N 415.497 4.539 0 40 HJAB CC(C)OCCCNC(=O)Cc1ccc2c(c1)C[C@](C)(Cc1ccc(Cl)cc1)O2 257313297 URSNEIWZWKHRBF-DEOSSOPVSA-N 415.961 4.750 0 40 HJAB COc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(C)cc2)n1 408696608 BDQUXPFCNMNNCY-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccccc3)o2)C1=O 409212691 RXKLJDVJOHMIAA-YYTPVVGHSA-N 417.508 4.809 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2Cl)c1 409411189 FLRCTNVCKZACBT-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB COC1CCN(c2nnc(-c3cccc4ccccc34)n2CCc2ccccc2)CC1 549184808 UYXBZBNTRQOZHX-UHFFFAOYSA-N 412.537 4.956 0 40 HJAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1sc2ccccc2c1Cl 1670289938 SMIIBRHFTJGAJI-QGZVFWFLSA-N 417.939 4.720 0 40 HJAB Nc1c(C(=O)NCCc2ccc(Cl)cc2)sc2nc(-c3ccncc3)ccc12 1026460 BZZDMXYJYLNJDV-UHFFFAOYSA-N 408.914 4.566 0 40 HJAB O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(C(=O)Cc1cccs1)C1CC1 1336070 ZFXWLBRHPLWUHK-JOCHJYFZSA-N 414.546 4.611 0 40 HJAB CCCc1nc(SCC(=O)Nc2cccc(NC(=O)CC)c2)c2ccccc2n1 1342783 BBGJJNVSKSJUBV-UHFFFAOYSA-N 408.527 4.662 0 40 HJAB CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 2245931 OLNKDPHNMKQBQU-QFIPXVFZSA-N 412.445 4.727 0 40 HJAB COc1ccc(C(=O)CSc2nnc(Nc3c(C)cccc3C)s2)c(OC)c1 2648194 VHZGSYZNFWMFRN-UHFFFAOYSA-N 415.540 4.891 0 40 HJAB COc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Br)cc23)cc1Cl 2689138 BPWLYGVLXGVMNM-KSSFIOAISA-N 423.694 4.881 0 40 HJAB C[C@H](O)CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12 3217588 PDSGZAINQNGJOU-JTQLQIEISA-N 409.700 4.973 0 40 HJAB COc1ccccc1/C=C/C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 3230266 JWQCDGGSGDVYRN-VOTSOKGWSA-N 414.672 4.851 0 40 HJAB Cc1cc(C)c(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)c(C)c1 3302567 ZEVIUONHSAHVBY-UHFFFAOYSA-N 402.494 4.834 0 40 HJAB Cc1ccc(C)c(NC(=O)c2c(N)c(C(=O)c3ccc(F)cc3)n3ccccc23)c1 4585229 NHWWAPZNEFANPB-UHFFFAOYSA-N 401.441 4.761 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2-n2cccc2)c1 4586097 XDYQROITMGSWLR-UHFFFAOYSA-N 417.538 4.714 0 40 HJAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc(Cl)c2)N1c1ccccn1 5240533 DWGLMTUJPLHTEJ-IBGZPJMESA-N 406.800 4.730 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccnc2)N1Cc1ccccc1Cl 5516519 IQVFMWCWYHXLLT-FQEVSTJZSA-N 402.837 4.587 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2c3c(nc4ccccc24)CCCC3)c1 5753294 CIVKQWWCNYYFRC-INIZCTEOSA-N 416.477 4.500 0 40 HJAB Cc1c(F)cccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 6418116 GHXJADMFUPEWQL-UZLBHIALSA-N 416.493 4.571 0 40 HJAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(Br)c2)c(C)c1 6629950 LRKLLUPFIJQEER-UHFFFAOYSA-N 420.376 4.731 0 40 HJAB COc1ccc(CC(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C2CCCCC2)cc1 6661273 SPLBJOWMEHCPDC-UHFFFAOYSA-N 419.525 4.958 0 40 HJAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)cs1 6681733 WXPYSUNHLDYTKR-UHFFFAOYSA-N 406.916 4.763 0 40 HJAB Cc1ccc(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3C)c2)cc1C 6681739 OMWWBABVTYMCCH-UHFFFAOYSA-N 400.525 4.726 0 40 HJAB O=C([C@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1)N1CCCC1 6976243 URPYMEQJWNUSKO-HXUWFJFHSA-N 404.539 4.601 0 40 HJAB C[C@@H](Oc1ccc(-c2nc(C(C)(C)C)cs2)cc1)C(=O)Nc1ccc(C(N)=O)cc1 7454024 LVQPIZRWKACNPK-CQSZACIVSA-N 423.538 4.613 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2ncnc3ccccc23)C1=O 8157335 RZRDBOLVDCKWBU-SFHVURJKSA-N 411.914 4.597 0 40 HJAB O=C(Cc1csc(SCc2ccc(F)cc2)n1)NCc1c(F)cccc1F 8854191 SUWMHSFSLUPDCL-UHFFFAOYSA-N 408.470 4.712 0 40 HJAB Cc1nc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)sc1C 9592279 MFSHAGSMIDOTOD-SFHVURJKSA-N 424.428 4.894 0 40 HJAB O=C(CSc1ccc(Cl)cc1)NCc1ccc(COCC(F)(F)F)cc1 11483511 DMLUPCCBANHJPF-UHFFFAOYSA-N 403.853 4.827 0 40 HJAB COc1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCC(C)(C)O5)nn23)cc1 12390832 QWEZILJFYJKYHP-UHFFFAOYSA-N 406.511 4.556 0 40 HJAB O[C@@H](COCc1ccccc1Cl)CSc1nnc(Nc2ccccc2)s1 12517157 OWMMDLJERUFBTO-HNNXBMFYSA-N 407.948 4.605 0 40 HJAB CN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)Cc1ccc(OC(F)F)cc1 12797116 ZHTBJLDXHCBRQF-UHFFFAOYSA-N 421.444 4.621 0 40 HJAB O=C(CCSCc1ccc(C(=O)O)cc1)NC(c1ccccc1)c1ccccc1 12903088 HWPYEVFHDUHDJM-UHFFFAOYSA-N 405.519 4.914 0 40 HJAB Cc1cccc2cc([C@@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)O)c(Cl)nc12 13016276 KPOWSINUMDIHQN-IBGZPJMESA-N 421.884 4.739 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nccc(-c2ccc(Br)cc2)n1 13561657 QLSKDIQMEBYKLB-OKILXGFUSA-N 420.376 4.788 0 40 HJAB C[C@H]1CCCC[C@H]1NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 13579436 NHHILIHHXWJECQ-ADRBLELWSA-N 401.510 4.634 0 40 HJAB Cc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 13674133 KATWBQILELYXHP-UHFFFAOYSA-N 422.550 4.651 0 40 HJAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4cccnc4)cc3c2C)cc1OC 15729492 SGXVSVRDJVHJKU-UHFFFAOYSA-N 416.433 4.637 0 40 HJAB biogenic C[C@H](CCC(=O)NCCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 17185616 HENFUZBSUMHZKR-XFXAHWLSSA-N 419.650 4.531 0 40 HJAB COc1ccc(Br)cc1-c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 18941312 QZHFOUBIXFDGPM-UHFFFAOYSA-N 424.341 4.652 0 40 HJAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccccc2)C1 19580164 MPAZQFUXUSSZGK-HHHXNRCGSA-N 412.533 4.517 0 40 HJAB Cc1ccccc1-c1ccccc1CC1(C(N)=O)CCN(C(=O)C2CCCCC2)CC1 19700056 OUFCWGREEUFIEC-UHFFFAOYSA-N 418.581 4.879 0 40 HJAB Cc1nc([C@H]2CCCN2Cc2ccc(F)cc2)ncc1C(=O)Nc1ccc(F)cc1 19755047 RPVAAWGJVJAGOP-OAQYLSRUSA-N 408.452 4.653 0 40 HJAB CCc1c(C(=O)Nc2c(C)cc(C)cc2C)nnn1-c1ccc(OC(F)F)cc1 19911130 JVRVRRXNGMETPY-UHFFFAOYSA-N 400.429 4.609 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 20061638 DXUFWRXUEVBIGA-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB COc1ccccc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20274729 FIVPBAIZGADLIE-FQEVSTJZSA-N 419.868 4.918 0 40 HJAB O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2ccc(Br)cc2)CC1 20886349 PPFFVYHTKUHNEQ-UHFFFAOYSA-N 421.722 4.593 0 40 HJAB CCOc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccc(F)cc3F)nc12 23108262 CTFZPPFCUCTHHR-CQSZACIVSA-N 418.465 4.799 0 40 HJAB O=C(Cc1ccccc1)Nc1nnc(-c2ccccc2-c2cccc(C(=O)O)c2)s1 27914179 XXLSJKBAMOEZBM-UHFFFAOYSA-N 415.474 4.752 0 40 HJAB Cc1nc(C2(NC(=O)C3C[C@@H]4CCC[C@H](C3)C43SCCS3)CCCCC2)no1 29059154 DPGWYDLTKWBKFT-ALOPSCKCSA-N 421.632 4.656 0 40 HJAB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1)c1ccc(C)cc1 30751034 BVSRMARHTILDRB-JOCHJYFZSA-N 422.550 4.985 0 40 HJAB CC(C)n1ncc2cc(C(=O)N(CCc3ccccc3)Cc3cccs3)cnc21 32869000 GSTRQYZEJWLOFF-UHFFFAOYSA-N 404.539 4.959 0 40 HJAB Cc1ccc(C)c(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c1 33271976 SYMTWECMXDQOCS-UHFFFAOYSA-N 406.507 4.670 0 40 HJAB COC(=O)c1c(NC(=O)C2=Cc3cc(C)ccc3OC=C2)sc2c1CC[C@H](C)C2 33321278 BIZYWILXPXGNII-AWEZNQCLSA-N 409.507 4.896 0 40 HJAB COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 33652938 JXPZMRWZOLYLMJ-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB COC(=O)c1ccccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38834541 CKNNVJYYSVZZRG-UHFFFAOYSA-N 421.324 4.631 0 40 HJAB Cn1c2c(sc1=O)[C@H](c1ccccc1Cl)CC(=O)N2c1ccc(Cl)cc1 49543894 SNZZATSADYQGLB-AWEZNQCLSA-N 405.306 4.954 0 40 HJAB Cc1cccc(Oc2ncccc2NC(=O)c2nnn(-c3ccc(F)cc3)c2C)c1C 58406722 PVLNIPSXDZPZCS-UHFFFAOYSA-N 417.444 4.771 0 40 HJAB Cn1ccnc1SCc1ccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)o1 60349064 JJOZJCKXZPELPG-UHFFFAOYSA-N 417.490 4.789 0 40 HJAB Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2Cc2ccc3c(c2)CC(C)(C)O3)n1 72372694 MFIXDYRVMWKUJR-QFIPXVFZSA-N 415.541 4.974 0 40 HJAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)C1=Cc2ccccc2OC1 72396967 FWSWSUHAVLSFTE-OAQYLSRUSA-N 419.912 4.554 0 40 HJAB CCN(CCSc1cc(Cl)ccc1Cl)Cc1nc2ccccc2c(=O)[nH]1 95351106 ZRCYAFYEMVYXKN-UHFFFAOYSA-N 408.354 4.844 0 40 HJAB CCc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3c2ccc(OC)cc2)cc1 101087101 IHEBUDZREPLZNF-HSZRJFAPSA-N 410.477 4.516 0 40 HJAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)cc1 102750788 AFZQLWRVIQBPGG-YPAWHYETSA-N 418.880 4.700 0 40 HJAB O=C(CSc1ccc(F)cc1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207015684 PRPALGDEPMCQNI-AWEZNQCLSA-N 417.531 4.511 0 40 HJAB Cc1ccc(N([C@@H](C)C(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1Cl 220353241 RTRQKRGQOOUDLW-HNNXBMFYSA-N 416.930 4.595 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSc1ccccc1 222562880 NSBGDHVCGFLLPE-DENIHFKCSA-N 412.599 4.543 0 40 HJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 222863741 ISUDVXBFVMPYIU-WOJBJXKFSA-N 419.579 4.865 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](C)c3ccccc3)c2C)cc1 224080907 XHBALEILRCHIAY-SFHVURJKSA-N 422.550 4.638 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)cc3C)o2)c(OC)c1 224867680 GEOJFUNMVVUEDT-UHFFFAOYSA-N 400.862 4.892 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 225313528 RERDMRXECZVVQB-HZPDHXFCSA-N 421.368 4.868 0 40 HJAB Cc1ccc(CN(C(=O)COc2ccccc2C(C)(C)C)[C@H](C)C(=O)NC(C)C)cc1 225533843 XTOANXPCIFICAQ-HXUWFJFHSA-N 424.585 4.613 0 40 HJAB C[C@H]1C[C@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccc(Cl)cc3)n2)C1 225936140 YWPIDUZKCDKBIS-STQMWFEESA-N 424.401 4.752 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(C(=O)O)o3)ccc2Cl)cc1 226355724 DFNATSRPCDCKRD-UHFFFAOYSA-N 414.870 4.733 0 40 HJAB O=C(c1ccnc(-c2cncnc2)c1)N1CCC[C@H](Cc2cccc3cnccc23)CC1 257303117 SFVGNUQSGSBYHS-IBGZPJMESA-N 423.520 4.572 0 40 HJAB Cc1ccc(NC(=O)CN2CCC[C@H]2Cc2c(C(=O)O)sc3ccccc23)cc1 257335262 YJJLWTLHOFGRNS-KRWDZBQOSA-N 408.523 4.554 0 40 HJAB OCc1ccccc1CN(Cc1ccccc1)Cc1cccc(OC[C@@H]2CCCO2)c1 257339335 ZBHAIMAPXREVAP-MHZLTWQESA-N 417.549 4.939 0 40 HJAB COc1ccccc1/C=C/CN1CCO[C@H](c2ccc(Nc3cccc(C)n3)cn2)C1 257341980 ZMPMZJRSQDDWLJ-OKHPUOTASA-N 416.525 4.624 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 408562571 BROYPPWMFBIBQZ-DZZUKKPASA-N 419.308 4.554 0 40 HJAB Cc1cc(I)ccc1NC(=O)COc1ccccc1C(C)(C)C 408678942 KYRJGQDGSZONPQ-UHFFFAOYSA-N 423.294 4.915 0 40 HJAB Cc1ccc(CN2C(=O)N/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C2=O)cc1 409233311 UUHDSDHUQXPXIH-OEAKJJBVSA-N 416.452 4.806 0 40 HJAB O=C(NCCc1ccc(-c2ccsc2)s1)C(=O)Nc1ccccc1C(F)(F)F 575414070 OKKZWYDFINWOGR-UHFFFAOYSA-N 424.469 4.793 0 40 HJAB O=C(Nc1cccnc1Cl)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 825544 HLXIRKDNCSXBNN-UHFFFAOYSA-N 417.778 4.716 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccccc1Cl 867603 JYPVQDLQXZROLP-UHFFFAOYSA-N 410.886 4.912 0 40 HJAB O=C(CN1CCCCC1)Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1 892306 ATVITNWPZMXUJZ-UHFFFAOYSA-N 406.313 4.670 0 40 HJAB O=C1CS[C@@]2(C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)N1c1ccccc1 1387951 CEPNFXAJWHMBPV-QHCPKHFHSA-N 420.921 4.820 0 40 HJAB CC[C@@]1(C)Oc2ccc(NS(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)cc2O1 1444254 QQYKYXGATABSAJ-QHCPKHFHSA-N 407.491 4.956 0 40 HJAB Cc1c(C(=O)C(=O)N(CCc2ccccc2)Cc2ccccc2)c2ccccc2n1C 4062387 SXMMNWXSQUXMNP-UHFFFAOYSA-N 410.517 4.941 0 40 HJAB Cc1c(CC(=O)NC[C@H](C)c2ccccc2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 4089468 YLSWBRWAYNLSML-INIZCTEOSA-N 419.521 4.667 0 40 HJAB biogenic COC(=O)c1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 4284296 GSMZXSMLWAGODB-UHFFFAOYSA-N 404.447 4.708 0 40 HJAB CCOc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc12 4286299 WNJUYMGNLUTDNE-UHFFFAOYSA-N 409.551 4.882 0 40 HJAB C[C@@H](NC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)c1ccccc1 4742861 KLEJPCWSIFJSAQ-CRICUBBOSA-N 409.489 4.591 0 40 HJAB CCCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1-c1ccncc1 4800258 BIMZIGWVYYRHKW-UHFFFAOYSA-N 409.559 4.606 0 40 HJAB Cc1cc2nc(N(CCN(C)C)C(=O)CSc3ccc(F)cc3)sc2cc1C 5152633 YJUXAAJITFNOCW-UHFFFAOYSA-N 417.575 4.739 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 5329657 KBOUTCVWJQBTNC-UHFFFAOYSA-N 406.463 4.938 0 40 HJAB COc1ccc(CN(Cc2ccco2)C(=O)c2cc3cc(OC)c(OC)cc3[nH]2)cc1 5345893 LDBZBLJLUOVAKC-UHFFFAOYSA-N 420.465 4.629 0 40 HJAB CCCCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2cccc(Cl)c2)cc1 5597238 OQVHVOMEFINSSY-IBGZPJMESA-N 411.976 4.955 0 40 HJAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(SC)cc1 6325050 LUAOATKWHPUCED-CIAFOILYSA-N 416.344 4.716 0 40 HJAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2ccccc2n1 6606515 LGHZYCFQJRWRDH-LJQANCHMSA-N 416.308 4.935 0 40 HJAB CN(C)CCCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccncc1 6878663 ABQYAUSHTSZKRQ-UHFFFAOYSA-N 422.385 4.891 0 40 HJAB Cc1c(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c(=O)n(-c2ccccc2)n1C 6880355 WKEFJKFONZPHFW-UHFFFAOYSA-N 407.470 4.604 0 40 HJAB CCCc1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2Cl)c(OC)c1 7601286 IKMGFNIIXPROBW-UHFFFAOYSA-N 418.950 4.878 0 40 HJAB Cc1cc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c3ccccc3n2n1 7737975 DAPFZLUBBXRADD-UHFFFAOYSA-N 411.431 4.536 0 40 HJAB CN1CCN(c2ccc(NC(=O)CCCSc3ccc(Cl)cc3)cc2)CC1 8390993 FXEQWHBTXCOVPH-UHFFFAOYSA-N 403.979 4.603 0 40 HJAB Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccco1)[C@@H]3c1ccccc1F 8612874 ZDHFQQCKOYDVTK-OAQYLSRUSA-N 403.409 4.887 0 40 HJAB CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2cccc(OC)c2)CC1=O 8710279 YPPJFPXQENSLCX-LJQANCHMSA-N 421.541 4.630 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)N[C@H](C)c3cc4ccccc4o3)o2)c1 9796887 QTCZZRKTCPUDMV-OAHLLOKOSA-N 423.494 4.673 0 40 HJAB CCOc1ccc2nc(NC(=O)c3cc(Cl)c(NC(C)=O)cc3OC)sc2c1 10060207 JIDPFCCXKDJUDD-UHFFFAOYSA-N 419.890 4.568 0 40 HJAB CCc1ccccc1NC(=O)[C@H]1Sc2ccc(C)n2N[C@@H]1c1ccc(OC)cc1 11116069 HIVJBHTZQRNOPZ-YADHBBJMSA-N 407.539 4.765 0 40 HJAB Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCC[C@@H]2C)c1 12062366 HJRBJYBIOLTWKJ-IBGZPJMESA-N 423.582 4.917 0 40 HJAB O=C1Nc2ccc(Cl)cc2[C@]12Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 12130039 TVKBVQFIFYBNEC-REWPJTCUSA-N 401.853 4.689 0 40 HJAB O=C(O)[C@H](Sc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)c1ccccc1 12139486 NAKGSUWEQCHTHL-QGZVFWFLSA-N 407.369 4.900 0 40 HJAB Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)c3cscn3)cc2)on1 12159103 MEGYPUGRTVXICA-UHFFFAOYSA-N 419.510 4.617 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 12342261 VDJGDBYKAXSZKR-UHFFFAOYSA-N 423.394 4.965 0 40 HJAB CC1(C)Cc2ccccc2C2=C(c3ccc4ccccc4n3)[C@@](O)(C(F)(F)F)C(=O)N21 12402477 RUOVXVBTVMYFFL-QHCPKHFHSA-N 424.422 4.573 0 40 HJAB O=C(Cc1csc(SCC(=O)c2ccc(F)cc2)n1)Nc1ccc(F)cc1 12444183 BHFVGZMWBRSAAG-UHFFFAOYSA-N 404.463 4.578 0 40 HJAB O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ncc(Cl)cc1Cl 12621147 YIICTTRIYHPUJS-UHFFFAOYSA-N 418.375 4.715 0 40 HJAB Brc1ccc(-c2cnc(SCc3noc(-c4ccco4)n3)[nH]2)cc1 12748673 VOUMQJDUEVFHED-UHFFFAOYSA-N 403.261 4.775 0 40 HJAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CCC(O)(Cc2ccccc2)CC1 12881342 ZUPBERLHBNGRIA-MWXBQQNOSA-N 423.597 4.514 0 40 HJAB biogenic C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc(Br)ccc1Cl 12934939 MCSRUVPINCFPGW-GFCCVEGCSA-N 419.710 4.516 0 40 HJAB O=C(COc1ccc(Br)cc1)N[C@H](c1ccc(F)cc1)c1cccs1 12981709 ZICKOYFPTBYZQK-LJQANCHMSA-N 420.303 4.934 0 40 HJAB O=C(c1ccccc1OCc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 13687232 BRSNCNUBGOSZHR-UHFFFAOYSA-N 406.913 4.881 0 40 HJAB Cc1ccc(-c2nnc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)n2C)cc1 14077615 TWUSLAQQJTWPBU-HXUWFJFHSA-N 406.555 4.636 0 40 HJAB COc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c(OC)c1 14673182 GJXXQHVOESHPLK-UHFFFAOYSA-N 406.269 4.508 0 40 HJAB CCOC(=O)c1ccc(Oc2ccc3c(c2)OCO3)c(NC(=O)c2cccs2)c1 15108402 DCLWKYPBDWXHFY-UHFFFAOYSA-N 411.435 4.698 0 40 HJAB CC(C)n1ncc2cc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cnc21 16106477 YEXIVFHGTCJHNF-UHFFFAOYSA-N 423.480 4.512 0 40 HJAB COc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 17090895 QJJNXVIPTZJGJU-UHFFFAOYSA-N 416.886 4.749 0 40 HJAB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(-c4cc(C(=O)O)c5ccccc5n4)c3)C(=O)[C@@H]2C1 18244102 KRHLFRKHJGTREM-NIKGAXFTSA-N 414.461 4.526 0 40 HJAB C[C@H]1CCc2onc(C(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3Cl)c2C1 19497150 GZPLVRMGVWWROI-IFXJQAMLSA-N 424.932 4.505 0 40 HJAB COc1ccc(OC)c(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c1 19565008 RCIRNMOEHKPZTG-UHFFFAOYSA-N 417.456 4.866 0 40 HJAB CCc1ccccc1-n1nc(C)c2cc(Br)cc(Br)c(=O)c21 19909784 IDVJWAGGRQHCQO-UHFFFAOYSA-N 422.120 4.782 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)o2)cc1 22025501 HGCCFEDRRRZAEK-CQSZACIVSA-N 421.526 4.673 0 40 HJAB CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 22484189 NLHOYCQJKRBQGF-OAQYLSRUSA-N 418.516 4.548 0 40 HJAB O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cc2ccccc2[nH]c1=O 25471640 FCAZJVBNNXTGRR-XSTIVXOKSA-N 406.485 4.555 0 40 HJAB Cc1ccccc1OCC(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 27663908 NLCLWMIOHXSCFI-OAQYLSRUSA-N 400.950 4.761 0 40 HJAB O=C(NCc1ccco1)[C@@H]1CCCN1Cc1cc(-c2ccc(Cl)cc2Cl)no1 29719936 JIEPXGZBNAFFDN-IBGZPJMESA-N 420.296 4.522 0 40 HJAB Cc1ccc(-c2csc3ncn(Cc4noc(-c5cccs5)n4)c(=O)c23)cc1C 31748058 QZKUGVHMHKOBHV-UHFFFAOYSA-N 420.519 4.902 0 40 HJAB CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)cc2C1 40011960 YEWSSJHRESCSMX-SJLPKXTDSA-N 422.598 4.962 0 40 HJAB CSc1nnc(CCCNC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)n1C1CCCC1 40012227 RRDBQOZCOQAIDN-PVKQZVPOSA-N 414.575 4.594 0 40 HJAB CCC(CC)c1nnc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)s1 40129357 PXBKLOLUVVSGJI-UHFFFAOYSA-N 414.556 4.686 0 40 HJAB COc1ccc(CNC(=O)C2CCN([C@H](C)c3cccc4ccccc34)CC2)cc1 53313439 NTMTVRCCLOAJST-LJQANCHMSA-N 402.538 4.938 0 40 HJAB O=C(Nc1ccc(I)cc1)c1cc(-c2ccccc2Cl)[nH]n1 57412315 YDTVUTPXLCWJOX-UHFFFAOYSA-N 423.641 4.587 0 40 HJAB CCN1c2ccccc2-c2nc(SCc3cccc(Cl)c3)ncc2S1(=O)=O 67260068 UZLUUUOMMBLLSZ-UHFFFAOYSA-N 417.943 4.618 0 40 HJAB CCOc1cc(C(=O)NCCCN2CCCC[C@@H]2C)cc(-c2ccccc2)c1OC 70004427 XWAZZVMDFMCIDB-IBGZPJMESA-N 410.558 4.755 0 40 HJAB C[C@H]1CN(c2ccc(CNc3nc4cc(C(F)(F)F)ccc4s3)cn2)C[C@H](C)O1 78904413 ADTQSGNYHWPWKI-STQMWFEESA-N 422.476 4.936 0 40 HJAB COc1cc(C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)ccc1OCc1ccccc1 79104808 KMENHGIHJNWJDB-XXBNENTESA-N 419.521 4.559 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc4cc(C)ccc4nc3Cl)C2)c(OC)c1 89657557 MYCDWCLXTABIOV-OAQYLSRUSA-N 423.900 4.911 0 40 HJAB CC(C)c1ccc(OCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 95394972 NOKVVUSHAXDWSQ-UHFFFAOYSA-N 400.950 4.623 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(F)c(F)c2F)S1 96117334 FGWCDZCYJMPXTM-MGPLVRAMSA-N 411.449 4.610 0 40 HJAB COc1ccc(N2C(=O)/C(=C/Nc3ccc(Cl)cc3)c3ccccc3C2=O)cc1 100344652 HZGJBJGFIKUTFK-KGENOOAVSA-N 404.853 4.989 0 40 HJAB CSc1ccc([C@@H]2C=C(c3ccc(Br)s3)Nc3ncnn32)cc1 101353417 ZJZCFTPVKYLFMG-ZDUSSCGKSA-N 405.346 4.880 0 40 HJAB CC1(C)C[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C[C@](C)(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C1 102635352 BCUCJWQATQBQSA-NHYKZDNTSA-N 414.634 4.676 0 40 HJAB COC(=O)Nc1cccc(NC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c1 103633380 NJTAZYQPXHZCDD-NYYJTOMGSA-N 407.308 4.537 0 40 HJAB CC[C@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cccc(C)c1)S(C)(=O)=O 220509402 HMIWNPGSWPPTSY-HXUWFJFHSA-N 402.560 4.610 0 40 HJAB CCSc1ccccc1NC(=O)[C@H](CC)N(c1cc(C)ccc1C)S(C)(=O)=O 220554793 HHYNULQZTZVPLL-SFHVURJKSA-N 420.600 4.599 0 40 HJAB CCCOc1cc2c(cc1[C@H]1[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N31)OCO2 222650988 XPSDZZPDCXJWHL-IFZYUDKTSA-N 411.527 4.579 0 40 HJAB Cc1cccc(CN(C(=O)COc2cc(C)cc(C)c2C)[C@H](C)C(=O)NC(C)(C)C)c1 222738141 RSLMPASADCWJJN-OAQYLSRUSA-N 424.585 4.631 0 40 HJAB O=C(NCCOc1ccc2ccccc2c1)C1CCN(Cc2ccc(Cl)cc2)CC1 223625678 OQYOHZYWIYJVEK-UHFFFAOYSA-N 422.956 4.900 0 40 HJAB O=C(NCCSC1CCCCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1 224012151 KFASDXSXDSZULP-SILNSSARSA-N 414.596 4.701 0 40 HJAB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1C 224025711 FJNHQNIYRWEBBL-QFIPXVFZSA-N 408.523 4.677 0 40 HJAB Cc1ccc(C)c(OCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 224028357 JKWVJXAGVBCSFB-UHFFFAOYSA-N 418.940 4.503 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 224277918 LDELLXOWLSIWTA-INIZCTEOSA-N 421.368 4.725 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 225482535 DVCXQBVYNGCMHT-REWPJTCUSA-N 424.585 4.713 0 40 HJAB CCOc1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1 225784308 SSGVZBNTLCNHDB-UHFFFAOYSA-N 404.289 4.619 0 40 HJAB CNc1nc(-c2ccc(OC)c(NC(=O)COc3ccc(Cl)cc3)c2)cs1 226097165 LLDHJTKKVJSVFG-UHFFFAOYSA-N 403.891 4.531 0 40 HJAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257225086 FETIPWAMXIEZOU-IBGZPJMESA-N 415.468 4.973 0 40 HJAB Cc1[nH]c2ccc(C(=O)NS(=O)(=O)c3ccccc3C(F)(F)F)cc2c1C(C)C 257247282 IYHFNLOPPHFLCT-UHFFFAOYSA-N 424.444 4.737 0 40 HJAB CC1=NN(C(=O)COc2ccc(C3CCCCC3)cc2)[C@](O)(c2ccc(F)cc2)C1 408562773 BMWGWHDQZJUICM-XMMPIXPASA-N 410.489 4.706 0 40 HJAB Cc1ccccc1C1=N/C(=C/c2ccc(OC(=O)c3c(F)cccc3F)cc2)C(=O)O1 409009041 RXAHLVFFSFWIQF-DEDYPNTBSA-N 419.383 4.837 0 40 HJAB Cc1ccc(COc2ccccc2/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 409101374 SUPGLRRQEPKOAS-HYARGMPZSA-N 416.452 4.806 0 40 HJAB C[C@H](Sc1nnc(-c2ccncc2)n1C)c1cccc(NC(=O)c2ccccc2)c1 613901865 PWXIKLXTTNVJHE-INIZCTEOSA-N 415.522 4.983 0 40 HJAB CCCCOc1cccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)c1 2056539 XKRRABOJCJYYMD-UHFFFAOYSA-N 416.271 4.987 0 40 HJAB Cc1ccc(OCC(=O)Nc2cc(C(=O)NCCc3ccccc3)ccc2Cl)cc1 2069794 JIFAEHNJQINCNZ-UHFFFAOYSA-N 422.912 4.638 0 40 HJAB Cc1cc(C(F)(F)F)nn1C[C@H](C)c1nc2c3c4c(sc3ncn2n1)CCCC4 2790025 OJTNLWBTOLDFFZ-JTQLQIEISA-N 420.464 4.545 0 40 HJAB CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 3072857 OCXBSKDWSMBCMM-MRXNPFEDSA-N 415.331 4.783 0 40 HJAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)OCO2 3313645 KJODCLKVCNLBKV-INIZCTEOSA-N 423.296 4.505 0 40 HJAB O=C(Nc1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCCCCC2)c1 3549127 BYZKAIUFFLIPOP-UHFFFAOYSA-N 408.523 4.657 0 40 HJAB Cc1ccc(C)c(NC(=O)COC(=O)c2oc3ccc(Br)cc3c2C)c1 4525596 LQNLZMUHHHZOGZ-UHFFFAOYSA-N 416.271 4.916 0 40 HJAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OCCC(C)C)cc1 4731430 NCTASUBGUVWKTH-QFIPXVFZSA-N 405.498 4.923 0 40 HJAB CCc1ccc2c(c1)cc(CN(C(=S)Nc1ccc(C)cc1)C1CC1)c1nnnn12 4973509 SBNZXAAJDKYQBD-UHFFFAOYSA-N 416.554 4.510 0 40 HJAB Cc1ccc(NC(=O)CSc2ccc3c(c2)OCCCO3)c(Br)c1 5365893 HZLRJFRUDUVNNC-UHFFFAOYSA-N 408.317 4.650 0 40 HJAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1 5391825 NJOLCGZNNWCOGF-AWEZNQCLSA-N 401.919 4.620 0 40 HJAB Cc1cc(O)c(C(=O)[C@H](C)SC(=S)N2CCCCC2)cc1Br 5538716 NCWIAZZWNKWJAS-NSHDSACASA-N 402.379 4.538 0 40 HJAB COc1cc([C@H](C)c2cc3c(cc2OCCO)OCO3)ccc1Cc1ccccc1 6437363 RSRAQILILRLFNC-KRWDZBQOSA-N 406.478 4.538 0 40 HJAB Cc1nn2c(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)nnc2c1-c1ccccc1 6662294 RXLVDKWUWZIZRP-UHFFFAOYSA-N 411.387 4.679 0 40 HJAB C[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 6941931 QPGJOYDIFQERHA-CYBMUJFWSA-N 409.902 4.588 0 40 HJAB CCc1cccc(C)c1N(C(=O)CSc1nc2c(C)cccc2[nH]1)[C@@H](C)COC 7425263 JREQKNWZYURVSG-KRWDZBQOSA-N 411.571 4.902 0 40 HJAB COC(=O)C1CCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1 7960750 RBDKXKKAZFTGLO-UHFFFAOYSA-N 406.507 4.502 0 40 HJAB O=C(N[C@H]1CCSc2ccccc21)c1cn(-c2ccccc2)nc1-c1cccnc1 7988982 ZDUQOCRWEMNZTJ-NRFANRHFSA-N 412.518 4.901 0 40 HJAB CCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)cc1 8810826 SIEZVNMZKZYBQK-UHFFFAOYSA-N 416.449 4.580 0 40 HJAB CCn1c(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)nc2ccccc21 10652414 OSZVTVJHSHDLHL-UHFFFAOYSA-N 415.428 4.959 0 40 HJAB CCCc1cc2c(O)c(-c3nc4ccccc4s3)c(=O)oc2cc1OC(=O)OC 11865195 UZHASERDDYVOHW-UHFFFAOYSA-N 411.435 4.873 0 40 HJAB biogenic CC(C)(C)Nc1c(C2CCN(C(=O)Cc3ccccc3F)CC2)nc2ccccn12 12087445 OIEDJKHCMIECOU-UHFFFAOYSA-N 408.521 4.633 0 40 HJAB O=C(c1ccccc1F)N1N=C(c2cccs2)C[C@@H]1c1ccc2nccnc2c1 12422068 MYNGWYUUWGILQE-HXUWFJFHSA-N 402.454 4.822 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)COc1ccc(Cl)cc1Cl 12600616 IXUKECKBYICCAE-SIIHOXLZSA-N 417.329 4.919 0 40 HJAB O=C(Nc1cc2c(cc1[C@@H](O)c1ccc(Cl)cc1)OCCO2)c1cccs1 12858478 RBUJZZFIGUATBJ-IBGZPJMESA-N 401.871 4.507 0 40 HJAB CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccccc1 12875980 IAPQJTWDFSUNMC-FBASWXMKSA-N 405.538 4.993 0 40 HJAB biogenic C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 12971967 KRKXHNSEOKGBNF-ZIAGYGMSSA-N 419.312 4.561 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)cs1)C1CC1 13266845 UEIJIIVTKYKFIO-UHFFFAOYSA-N 421.497 4.891 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)ccc21 15572036 MLGSLGOWYNKMOY-UHFFFAOYSA-N 410.477 4.622 0 40 HJAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1N1C(=O)[C@@H]2CCCC[C@H]2C1=O 17083339 XQDLIZUHBWFDEL-ZIAGYGMSSA-N 406.313 4.535 0 40 HJAB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)c1 17093993 VEARXRFTWKSZIX-UHFFFAOYSA-N 424.522 4.601 0 40 HJAB Cc1ccc(N(Cc2ccco2)C(=O)CCN2C(=O)CSc3ccccc32)cc1 19295148 AZGZCBTZJDYQJQ-UHFFFAOYSA-N 406.507 4.650 0 40 HJAB COCCCN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 19370921 BMELRMVLLCJZEK-HXUWFJFHSA-N 402.991 4.743 0 40 HJAB Cc1noc2nc([C@H]3CCCN(C(=O)c4cc(C(C)C)no4)C3)cc(C(F)F)c12 19564087 OKANNTLUHOOQQN-LBPRGKRZSA-N 404.417 4.600 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)C[C@@H]2CC(C)(C)OC2=O)n1 19691299 QOZHFQOZXADEHJ-NQIIRXRSSA-N 410.489 4.591 0 40 HJAB COc1cccc(-c2ccc([C@H]3CN(Cc4ccc5ncccc5c4)CCO3)nc2)c1 19692583 SJDVCAZANQGTBO-AREMUKBSSA-N 411.505 4.879 0 40 HJAB COc1ccc([C@H]2CC(=O)c3c(C)nn(-c4nc5ccccc5s4)c3C2)c(OC)c1 19817333 VVUKEAIGMKDCEV-CQSZACIVSA-N 419.506 4.720 0 40 HJAB CCn1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)c2cc(OC)ccc21 22235819 VXXWOAGVLFQGCU-UHFFFAOYSA-N 424.806 4.955 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)Cc2csc(-c3ccccn3)n2)cc1 24393137 UHTMMFOAKCPRRD-NRFANRHFSA-N 407.539 4.900 0 40 HJAB CCOc1ccc(NC(=O)c2cccnc2SCC(F)(F)F)cc1OCC 31182620 SVCYWBAFXWIZRO-UHFFFAOYSA-N 400.422 4.786 0 40 HJAB O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1cnn2cccnc12 32908839 YCKOEISLRUWSBL-UHFFFAOYSA-N 409.243 4.536 0 40 HJAB Cn1c(C(F)(F)F)nc2cc(NC(=O)c3n[nH]c4c3C[C@@H](C(C)(C)C)CC4)ccc21 35316701 VLXQGYONSSSPSQ-NSHDSACASA-N 419.451 4.719 0 40 HJAB CCc1ccccc1NC(=O)c1cc(-c2cccc(OC)c2)nc2c1c(C)nn2C 36617028 NATYEWZHKMSUNY-UHFFFAOYSA-N 400.482 4.767 0 40 HJAB O=S(=O)(c1ccc(-c2csc(Nc3ccccn3)n2)cc1)N1CCCCCC1 40040189 VUEURBHKZCXNKN-UHFFFAOYSA-N 414.556 4.513 0 40 HJAB COc1ccc([C@@H](NC(=O)c2cccc(CN3CCCC3)c2)c2ccccc2)cc1 40157977 YYNVCPIVQLARCO-VWLOTQADSA-N 400.522 4.810 0 40 HJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875034 HYZFLLQDTAYDHF-HXUWFJFHSA-N 402.538 4.909 0 40 HJAB CCCCc1nc(CN(C)CC(=O)Nc2ccc(Br)cc2C)cs1 48290632 NCLMOALMADHVIL-UHFFFAOYSA-N 410.381 4.627 0 40 HJAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(C4CCCCC4)o3)c2C)no1 57761419 DYJTWDCYJLQFQI-UHFFFAOYSA-N 400.504 4.796 0 40 HJAB COC(=O)[C@H](c1cc(F)ccc1F)N(C)C(=O)c1oc2ccc(Cl)cc2c1C 58313869 ZMPZVHYZCPOUEZ-KRWDZBQOSA-N 407.800 4.659 0 40 HJAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)c(OC)c1 67296702 UAEBKMDVKAPIIZ-LCUIJRPUSA-N 415.449 4.638 0 40 HJAB CCS(=O)(=O)Nc1ccc(N[C@H]2CC=C(c3ccc(F)cc3)CC2)cc1OC 95467446 OIPSTFXLHXLWPC-SFHVURJKSA-N 404.507 4.644 0 40 HJAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1cc2ccccc2o1 102188026 WSLZSNIIZADAIO-RKOMNEFPSA-N 417.299 4.893 0 40 HJAB Cc1cc2cc(NC(=O)CCn3c(=O)oc4cc(Cl)ccc43)cc(Cl)c2o1 141559540 XMWBFFXJSJSVQH-UHFFFAOYSA-N 405.237 4.985 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1 222536527 ZULQYRAGGAPUGR-GBXCKJPGSA-N 424.585 4.577 0 40 HJAB Cc1cc(C(=O)O)ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 222850677 GAWKFDYRGULRAY-SFTDATJTSA-N 421.522 4.729 0 40 HJAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(CSc2ccccc2)cc1 223689928 KEHPJJSKGPXAHU-UHFFFAOYSA-N 403.500 4.927 0 40 HJAB CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2O1 223858036 DXPMGJZSABZPNB-KRWDZBQOSA-N 424.360 4.810 0 40 HJAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)cc1 223889053 FRYSQZMRXLQJLR-INIZCTEOSA-N 422.506 4.688 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1cccs1 224538975 QSMMKWOKIPNQHR-UHFFFAOYSA-N 408.504 4.954 0 40 HJAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1ccc(OC)cc1 224596293 RGTBLVQJZIHQLG-UHFFFAOYSA-N 421.493 4.612 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 224975488 NGQDLLFPGIJISQ-PMACEKPBSA-N 412.599 4.560 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)Cc2cccc(Br)c2)cc1OCC 225622777 ZKHVCDUURXOUAG-CQSZACIVSA-N 406.320 4.666 0 40 HJAB CCCOC1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCCC1 225654863 HRAXQZMRMFMLKH-WOJBJXKFSA-N 402.579 4.721 0 40 HJAB CCOC1(C(=O)Nc2ccc(OCCN3CCC[C@@H](C)C3)cc2)CCCCCC1 225711274 IALJYUNNDBPENB-HXUWFJFHSA-N 402.579 4.865 0 40 HJAB CCc1ccc(NC(=S)NCc2nc(-c3cccc(Br)c3)no2)cc1 225825359 QVMWMNLFDVUKFZ-UHFFFAOYSA-N 417.332 4.548 0 40 HJAB CCN(CC)CCCNC(=O)c1ccc2c(c1O)[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)O2 257237165 HFKFPZJAKQJEQI-BHIYHBOVSA-N 402.579 4.545 0 40 HJAB Cc1ccccc1CN1CCCC[C@@H]1c1n[nH]cc1C(=O)N(C)Cc1ccccc1 257298200 RKPPATMXPDPCNO-HSZRJFAPSA-N 402.542 4.718 0 40 HJAB Cc1cc(C(=O)N2CC[C@@]3(C2)c2cccn2-c2ncccc2N3CCC(C)C)oc1C 585107178 QPLXNASDFOUQCH-RUZDIDTESA-N 418.541 4.690 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618255658 VDLWIPMPTCGHPW-NRFANRHFSA-N 424.504 4.582 0 40 HJAB CC1CCN(C(=O)c2nn3c(c2Cl)N[C@H](c2ccco2)C[C@H]3C(F)(F)F)CC1 675011 CGWDNHDJXRMWKN-AAEUAGOBSA-N 416.831 4.662 0 40 HJAB O=C(Oc1ccccc1)c1cc2cc(Br)cc(Br)c2oc1=O 713722 LKQRESPFOGNAEC-UHFFFAOYSA-N 424.044 4.537 0 40 HJAB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)c1ccc(-c2ccccc2)cc1 938879 PQZGNNHTUBUMFU-UHFFFAOYSA-N 400.503 4.887 0 40 HJAB COc1ccc(NC(=O)c2nc(Nc3ccc(OC)cc3)c3ccccc3n2)cc1 959724 QIHZZRXYVNRTMQ-UHFFFAOYSA-N 400.438 4.643 0 40 HJAB CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OC(C)=O 993536 GORRILSEDPOIHW-PXNMLYILSA-N 420.248 4.662 0 40 HJAB O=C(CN1CCc2ccccc21)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 1016861 SVVOVIJFVPMWEJ-DEOSSOPVSA-N 417.459 4.705 0 40 HJAB CCCc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 1335337 IJCOTBVELQZSDS-UHFFFAOYSA-N 400.569 4.817 0 40 HJAB Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c1 2647561 UWCXLSQHUFCZMP-KRWDZBQOSA-N 415.522 4.757 0 40 HJAB Cc1sc2ncn3nc([C@H](C)n4nc(C(F)(F)F)cc4C4CC4)nc3c2c1C 2788924 SRAUYVOUZKHZLI-VIFPVBQESA-N 406.437 4.658 0 40 HJAB COC(=O)C1CCN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CC1 3296440 OJEQIIUFHJPEOL-UHFFFAOYSA-N 414.914 4.642 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2ccc3c(c2)OCO3)o1 3443462 XMGTYUBXIONNMT-GFCCVEGCSA-N 407.451 4.619 0 40 HJAB CCOc1ccc([C@@H]2C[C@H](c3c(Cl)cccc3Cl)n3nc(N)nc3N2)cc1 3642412 NXGPFFHFQKGHBH-JKSUJKDBSA-N 404.301 4.712 0 40 HJAB COC(=O)CC[C@@H](C)[C@@H]1CC[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 3652641 GRQROVWZGGDYSW-KSDNDYNGSA-N 406.607 4.566 0 40 HJAB COc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CSC3)cc1 4079160 OMWYIXKBTRCIJY-UHFFFAOYSA-N 403.866 4.673 0 40 HJAB COc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(OC)cc3s2)cc1 5265112 YACKAAJGLWSTCL-UHFFFAOYSA-N 405.479 4.556 0 40 HJAB S=C(Nc1ccccc1)N[C@H]1SN=C(Nc2ccccc2)N1c1ccccc1 5593436 HPYLZMRLHJIJHW-OAQYLSRUSA-N 405.552 4.893 0 40 HJAB O=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 5756729 YWHUXQNZUMIFFE-UHFFFAOYSA-N 407.034 4.990 0 40 HJAB COc1cc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)ccc1OC(F)F 6380999 YUKIQXLEBFYJEH-FRKPEAEDSA-N 403.425 4.809 0 40 HJAB O=C(COc1ccc2c(c1)CCC2)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6567013 ZTHMBHBQZMFOOJ-DEOSSOPVSA-N 411.505 4.531 0 40 HJAB O=C(Cc1cccc(C(F)(F)F)c1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 8327700 GVRSAUYZTCINJR-UHFFFAOYSA-N 405.416 4.948 0 40 HJAB CSc1nc(C)c(CCC(=O)Nc2ncc(Cc3cccc(C)c3)s2)c(C)n1 8393797 CCMKHDVGEDFGNW-UHFFFAOYSA-N 412.584 4.742 0 40 HJAB COc1cccc(-c2cc(OC(=O)COc3ccc(C)cc3)cc3sc(=O)oc23)c1 8867338 DMGWYOACBIIOTC-UHFFFAOYSA-N 422.458 4.823 0 40 HJAB COc1cccc(CCNC(=O)Cc2csc(SCc3ccc(C)cc3)n2)c1 8936760 AQDCHUFQIHPLRV-UHFFFAOYSA-N 412.580 4.654 0 40 HJAB Cc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)c1C 10325127 LTHYNYUKDPWKPQ-QGZVFWFLSA-N 420.534 4.696 0 40 HJAB CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(F)cc1 12414877 QJLWSYPCLPTPDA-UHFFFAOYSA-N 419.499 4.840 0 40 HJAB O=C(Cc1csc(SCC(=O)c2ccc(F)cc2)n1)Nc1ccc(F)c(F)c1 12444187 JSRSVCMYTLZJNQ-UHFFFAOYSA-N 422.453 4.717 0 40 HJAB Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(Cl)cc1 12631071 MAMRPUWTIIJACC-UHFFFAOYSA-N 422.941 4.943 0 40 HJAB O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)CCC2 13072289 CDCLJKPUBYVYPE-UHFFFAOYSA-N 422.308 4.823 0 40 HJAB Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 13684401 NVLIRKGOKYYPNN-IBGZPJMESA-N 402.494 4.812 0 40 HJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2OC)CC1=O 14095085 IJFWNUOAMPEULN-IBGZPJMESA-N 421.541 4.630 0 40 HJAB Cc1cc(C(=O)Nc2ccc(Br)cc2F)c2c(C)nn(C(C)C)c2n1 17083125 MFQCENPNATUTHK-UHFFFAOYSA-N 405.271 4.783 0 40 HJAB Cc1cc(C)n([C@@H](C)CC(=O)NCCc2nc(-c3ccc(Cl)cc3)cs2)n1 19573072 DGOCLNVAENNUJW-HNNXBMFYSA-N 402.951 4.587 0 40 HJAB CCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)c3cnc(C)cn3)cc2)O[C@@H](C(C)C)C1 19711868 WXBNIBASEJTEIM-MZYLBHOOSA-N 410.562 4.624 0 40 HJAB Cc1nn(-c2ccccn2)c2nc([C@@H]3CCCN3Cc3cn(C)c4ccccc34)ccc12 19742440 VIOUIUHXGRQTQE-DEOSSOPVSA-N 422.536 4.953 0 40 HJAB CCCCN(C(=O)CCNC(=O)c1ccsc1)c1nc2ccc(C)cc2s1 25013906 CRQISLHADVXKSB-UHFFFAOYSA-N 401.557 4.619 0 40 HJAB O=C(Cc1csc(-c2ccco2)n1)NC[C@@H](c1ccccc1Cl)N1CCCC1 25094472 ILNGZLWZNZINLF-SFHVURJKSA-N 415.946 4.552 0 40 HJAB O=C(NCc1ccccc1)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 34828332 VAPSOYHLBPQIMP-UHFFFAOYSA-N 407.517 4.723 0 40 HJAB Cc1ccc(CN2CCC(C(=O)NCc3cccc(CN4CCCCC4)c3)CC2)cc1 38831248 HIRZEUYVSFGJRD-UHFFFAOYSA-N 419.613 4.509 0 40 HJAB CCOc1ccc(/C=C/C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1OC 40135075 QWYMQQAMYNLBSW-RPAADVPWSA-N 404.510 4.995 0 40 HJAB CCOC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1Br 40942656 OKFYMGQCFSVKPR-UHFFFAOYSA-N 420.303 4.767 0 40 HJAB CC(C)N(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C1CCCCC1 58167844 DDCIFPXOAHCDPH-UHFFFAOYSA-N 414.571 4.695 0 40 HJAB CC(C)c1ccc(CCC(=O)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 79068757 FRFFQAKQGASVPY-GOSISDBHSA-N 412.549 4.720 0 40 HJAB FC(F)(F)c1cc(NC[C@@H]2CN(Cc3ccccc3)CCO2)c2ccccc2n1 89834966 JGASLBUECYECJQ-QGZVFWFLSA-N 401.432 4.567 0 40 HJAB CC(=O)N(c1nc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cs1)c1ccccc1F 98002328 IZYMUXWMIRJQIS-WOJGMQOQSA-N 421.453 4.620 0 40 HJAB CC(C)C[C@H]1[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]2ON1c1ccccc1 101041695 KAEVMPMHCQRLOG-LNLFQRSKSA-N 419.308 4.718 0 40 HJAB CC(C)CCSc1nnc2[nH]c3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3 101162333 WYTJRNXISKQNOO-UHFFFAOYSA-N 408.571 4.981 0 40 HJAB Cc1cc(=O)n2c(n1)NC(Nc1ccc(C)c(C)c1)=N[C@@H]2c1ccc(C(C)C)cc1 105330294 WKLLZDCXWMQOHT-QFIPXVFZSA-N 401.514 4.732 0 40 HJAB O=C(Nc1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1)[C@@H]1CCOC1 206892782 FDFRIJSLAWPRPR-CYBMUJFWSA-N 401.438 4.807 0 40 HJAB CCOC(=O)c1c(NC(=O)CSCc2cccc(C)c2)sc2c1CCCC2 222738373 SBBOHIQSVQZIPI-UHFFFAOYSA-N 403.569 4.984 0 40 HJAB O=S(=O)(Cc1c(Cl)cccc1Cl)NCCOc1cccc2ccccc12 223541878 HEEDYQSIAZNXIH-UHFFFAOYSA-N 410.322 4.645 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1)c1ccccc1 224124430 XBBUPLOQNCNQFB-QFIPXVFZSA-N 422.550 4.701 0 40 HJAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C(C)C)c1 224845941 LVBSEIDULXXWRJ-FCHUYYIVSA-N 422.554 4.658 0 40 HJAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC)c(Cl)c1 224972912 WFDFLIMQJMLWRE-WOJBJXKFSA-N 412.946 4.742 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 225013834 WTECDBPWTGUCFR-WOJBJXKFSA-N 412.599 4.728 0 40 HJAB O=C1CCCN1c1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1 225519663 WTTAOWOZBCUMBL-UHFFFAOYSA-N 401.535 4.889 0 40 HJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccc(C)cc1 225631914 GSXBQSJHKCLBGI-NRPPHEFGSA-N 402.494 4.935 0 40 HJAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)c1 226860806 HDFAQMZSWCNMDK-UHFFFAOYSA-N 402.811 4.705 0 40 HJAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)COc2ccccc2F)o1 257298871 RNPFDAZLKYIUNE-FQEVSTJZSA-N 424.472 4.546 0 40 HJAB FC(F)(F)c1ccccc1Cc1cccc([C@@H]2CN(Cc3ccccn3)CCO2)n1 257302605 SDNSHCGSYBCPGH-QFIPXVFZSA-N 413.443 4.660 0 40 HJAB CCCOc1ccccc1CN1CCC[C@@H](c2n[nH]cc2C(=O)N2CCCCCC2)C1 257310766 UGLNYQQGGCSYEI-OAQYLSRUSA-N 424.589 4.594 0 40 HJAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)cc1 408556552 KPULCABDQRQUGZ-UHFFFAOYSA-N 420.509 4.896 0 40 HJAB O=C(Oc1cccc2cccnc12)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408657015 IESIPACAKMHBDB-CYBMUJFWSA-N 401.249 4.500 0 40 HJAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)cc1 409152540 JGHHLBIYJFCHPF-DEDYPNTBSA-N 418.474 4.523 0 40 HJAB CC(C)C(=O)N1CCCCCCN(C)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21 643582306 RIEFPTKQAXGDNP-IRLDBZIGSA-N 400.563 4.507 0 40 HJAB CCc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 667499 FYTDYFOMXBOFEK-UHFFFAOYSA-N 422.550 4.930 0 40 HJAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc(OC)c1OC 802641 IPLHPTKZZHZDHF-JOCHJYFZSA-N 408.429 4.623 0 40 HJAB O=C(Nc1ccccc1Br)c1cc2cc(Br)ccc2oc1=O 845997 GXOSDSRDHKMEKG-UHFFFAOYSA-N 423.060 4.570 0 40 HJAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1cccc(C(=O)O)c1 955738 BKFIKQNQHXENBS-UHFFFAOYSA-N 404.344 4.872 0 40 HJAB Cc1noc(C)c1Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O 1290770 XKVSDMWLXZLJFT-UHFFFAOYSA-N 416.300 4.541 0 40 HJAB Cc1ccc(NC(=S)N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)cc1 1349298 JMOBZJKEFUCVST-UHFFFAOYSA-N 412.559 4.777 0 40 HJAB COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)c1 2100245 ROXJCVJZPAJKGV-SXOLKMGYSA-N 421.537 4.612 0 40 HJAB CCCCCNC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2250970 KYQCBTCZSUNIOS-UHFFFAOYSA-N 405.546 4.977 0 40 HJAB CC(C)(C)c1cc(NC(=O)CSc2ccc3c(c2)OCCO3)n(-c2ccccc2)n1 2652939 MYLGULVDEZLTPI-UHFFFAOYSA-N 423.538 4.672 0 40 HJAB C[C@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 3296018 YDTVVPUIRJOOKL-ZDUSSCGKSA-N 400.525 4.583 0 40 HJAB Cc1noc(C)c1C(=O)OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 3365555 OSZDYQYWWPQMMW-UHFFFAOYSA-N 400.818 4.533 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]32CCOC(C)(C)C2)cc1OC 4029866 LWRLBQILWIOHKS-YADARESESA-N 408.498 4.533 0 40 HJAB biogenic COC(=O)CC[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 4081644 ZHUOOEGSSFNTNP-BCSZZZCTSA-N 406.607 4.566 0 40 HJAB biogenic CCN(CC)CCN(C(=O)c1cccc(OC)c1)c1nc2c(C)c(C)ccc2s1 4359492 JVIBEMWZYPVEBP-UHFFFAOYSA-N 411.571 4.910 0 40 HJAB COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccc(F)cc3)oc12 4937807 RWVWYDJCSNAIMX-GYHWCHFESA-N 409.438 4.646 0 40 HJAB CCc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2[C@H](C)COC)cc1 5985114 ADABJAIWQLLCIU-CVEARBPZSA-N 410.539 4.530 0 40 HJAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(C)s1 6356081 KDDYZJFSSHNBSA-KKBVUKDESA-N 404.333 4.925 0 40 HJAB Cc1cc(C)cc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1 6728361 BMPLBXBMYGGWBA-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB aggregator CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccc(C)cc1C)S2 6812262 XKYLZLCGKOXZGC-RTWAWAEBSA-N 421.570 4.554 0 40 HJAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 7774474 SVSSQQSESBSNFL-UHFFFAOYSA-N 416.506 4.556 0 40 HJAB COc1cc(OC)cc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 8071569 JLPSBTULXHMRKR-UHFFFAOYSA-N 416.271 4.656 0 40 HJAB Cc1ccnn1-c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 8093802 LDFBUFUGRBCTKL-SFHVURJKSA-N 402.523 4.810 0 40 HJAB Cc1cc(=O)[nH]c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)n1 9290545 UVNDOXKLBNDGQS-UHFFFAOYSA-N 415.927 4.653 0 40 HJAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 9996110 GFGYSZAHIOYNMX-QUCCMNQESA-N 408.523 4.831 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)ccc3C)cc2C)cc1 10362482 FMQYFQFZUYHARA-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1[nH]c2ccc(C(=O)N3CCC[C@@H](n4c(=O)oc5ccc(Cl)cc54)C3)cc2c1C 12184498 OFNQKKNWBKSYJH-QGZVFWFLSA-N 423.900 4.823 0 40 HJAB CCOc1cc(Nc2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)nc(C)n1 12225478 SJOWQGANUNDYAA-UHFFFAOYSA-N 412.877 4.842 0 40 HJAB O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccc2ccccc2c1 12329526 KRNGRCWYIYOIEG-XZOQPEGZSA-N 423.940 4.877 0 40 HJAB Cc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(Cl)cc4)c3C)c(C)o2)cc1 12415619 KAPQFEQRVALYNU-UHFFFAOYSA-N 422.872 4.858 0 40 HJAB O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCN(c2ccccc2O)CC1 12539109 BXPDQXGREGGQIC-UHFFFAOYSA-N 416.399 4.633 0 40 HJAB CCCNC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccc(C)cc3)ccc2s1 13609888 ODLUCKPSGXDWLF-UHFFFAOYSA-N 416.568 4.565 0 40 HJAB O=C(c1ccccc1CCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 13688432 LVIHQEGIRWVMPN-NTEUORMPSA-N 410.561 4.943 0 40 HJAB Cc1cc(NC(=O)c2c(F)cccc2F)n(-c2nc(-c3cccs3)cs2)n1 17012047 FYOCMFJVQWVKRX-UHFFFAOYSA-N 402.451 4.896 0 40 HJAB CCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccccc2)cc1OC 17022999 ZVNVPCHYXXSCLY-LTGZKZEYSA-N 416.477 4.504 0 40 HJAB CCCCN(C)c1nc(Nc2cccc(OC)c2)c2cnn(-c3ccccc3)c2n1 17270239 LTGQLKKEGLVYPV-UHFFFAOYSA-N 402.502 4.804 0 40 HJAB COCC(=O)N1CCc2sccc2[C@H]1c1ccc(NCc2ccccc2F)cc1 19592941 CJJDKEYHHOZJOR-HSZRJFAPSA-N 410.514 4.620 0 40 HJAB Cc1cccc(C2(C(=O)N[C@@H](C)c3nc4ccccc4n3C(C)C)CCOCC2)c1 19662274 GDCQHNPNCVVVCX-IBGZPJMESA-N 405.542 4.851 0 40 HJAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCc3ccccc3C2)cc1 20567857 LYZOOQMIAZSJQP-UHFFFAOYSA-N 400.566 4.944 0 40 HJAB Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(F)cc3Cl)c2c1C 20815588 WSUGJWIRMVGABS-UHFFFAOYSA-N 407.898 4.725 0 40 HJAB COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4F)ccc3o2)c1 21579551 JORQSJORBOCUGL-UHFFFAOYSA-N 421.453 4.769 0 40 HJAB O=C1O[C@H](C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)Cc2ccccc21 23056449 BGCLHZSDRIDAIR-INIZCTEOSA-N 418.396 4.549 0 40 HJAB CCOC(=O)c1ccc2nc(NC(=O)c3cc(-c4ccc(C)cc4)on3)sc2c1 27664268 DDJSBARAWHJYQJ-UHFFFAOYSA-N 407.451 4.689 0 40 HJAB COc1ccc(NC(=O)Nc2nn(Cc3cccc(C)c3)cc2Br)cc1 27917449 ZOTHCJYLYRZKDS-UHFFFAOYSA-N 415.291 4.655 0 40 HJAB COc1ccc(OCc2noc(CSc3nnc(-c4cc(C)cc(C)c4)o3)n2)cc1 32865967 KBNUQMGVMFPWLP-UHFFFAOYSA-N 424.482 4.616 0 40 HJAB C[C@@H](OC(=O)c1ccc(SCc2cscn2)cc1)C(=O)Nc1ccccc1F 32902174 VGDLPIDMECINGY-CYBMUJFWSA-N 416.499 4.759 0 40 HJAB Cc1c(C(=O)Nc2nc(CN3CCCC3)cs2)oc2ccc(Br)cc12 32978584 CSMFCIGTVNMXIG-UHFFFAOYSA-N 420.332 4.808 0 40 HJAB COc1cc(CNC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc(OC)c1OC 40098563 VATYXGIQHQRVCP-UHFFFAOYSA-N 419.692 4.994 0 40 HJAB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)Cc1csc(-c2ccco2)n1 40107150 FLTFKBBTWHPKBZ-KRWDZBQOSA-N 409.555 4.636 0 40 HJAB Cc1ccn2c(NC(=O)Cn3c(C)nc4ccccc43)c(-c3ccc(F)cc3)nc2c1 40130982 OEXKYVUVNWQBKA-UHFFFAOYSA-N 413.456 4.746 0 40 HJAB O=C(NCc1cccc(Cl)c1)c1nnn(-c2cccc(Cl)c2)c1-c1ccncc1 49003467 SEOFFJWQTMHRLJ-UHFFFAOYSA-N 424.291 4.566 0 40 HJAB COC(=O)CC1=CC(SCC(=O)Nc2cc(C)ccc2C)=Nc2ccccc2N1 49421621 LDNRYTKYQPWDHM-UHFFFAOYSA-N 409.511 4.578 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)c(OC)c1 57315776 GFRJNDCEELTWKP-UHFFFAOYSA-N 418.824 4.503 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1nc2c(s1)CCCC2 65511911 GCJMDCBHAVZNKA-UHFFFAOYSA-N 419.909 4.750 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 72358205 UWQPGVIKRCPKLW-HSZRJFAPSA-N 408.448 4.693 0 40 HJAB CN(C)Cc1ccc(C(=O)N2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)cc1 72361051 VDQDNTOOLLNHAD-QFIPXVFZSA-N 417.528 4.969 0 40 HJAB COc1ccc(C)cc1CN1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 72391122 CVPFYPKQMVNGKF-QHCPKHFHSA-N 409.574 4.514 0 40 HJAB CN(C)Cc1ccnc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1 89319457 PZGXCNBONQSAAO-UHFFFAOYSA-N 400.457 4.750 0 40 HJAB O=S(=O)(Nc1ccc(F)cc1C(F)(F)F)c1ccc(Br)c(F)c1 95067956 BTFYPVQLUCPFBD-UHFFFAOYSA-N 416.165 4.547 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(C(=O)c2ccccc2)s1 96119872 ISSSHYLOKAJHCB-UHFFFAOYSA-N 420.317 4.981 0 40 HJAB CN1CCN(c2nc(NC34CC5C[C@@](C)(C3)C[C@@](C)(C5)C4)c3ccccc3n2)CC1 100170032 BGLAHJOAUWFLKF-NMNZPTKXSA-N 405.590 4.543 0 40 HJAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@@H]1[C@@H]2CC[C@H](C2=C(C)C)[C@@H]1C(=O)O 101391802 KMGHPDNJIREZLH-HLNSBACISA-N 419.543 4.680 0 40 HJAB COc1ccc([C@H]2CC3=Nc4nonc4N[C@H](c4ccc(OC)cc4)C3=C(O)C2)cc1 102751380 QHGRGAQCABWDTJ-YCRPNKLZSA-N 418.453 4.716 0 40 HJAB COc1ccc([C@H]2Nc3nonc3N=C3C[C@H](c4ccc(F)cc4)CC(O)=C32)cc1 102838102 YERFZHHSRYRNCF-VBKZILBWSA-N 406.417 4.846 0 40 HJAB C[C@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104087343 SOKJOAKLMZJTCX-WDHIOAMHSA-N 408.542 4.533 0 40 HJAB COc1ccc(CN2C(=O)/C(=C\Nc3ccc(Cl)cc3)c3ccccc3C2=O)cc1 105008629 AFEVUXKKEHNMRS-HMAPJEAMSA-N 418.880 4.984 0 40 HJAB Cc1nn(C)c(C)c1/C=C1/C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O 118916020 IFDSJTUAVYQLDO-UGEWBWOESA-N 412.618 4.795 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 222456959 OCZGGQIZDJEMTL-OAQYLSRUSA-N 418.940 4.662 0 40 HJAB Cc1ccccc1CSCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C 222628279 FTKTZIGQIMMFRV-IBGZPJMESA-N 412.599 4.560 0 40 HJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)c(Br)c3)N21 222666086 UQRZEEXTNILNPM-MORSLUCNSA-N 418.360 4.832 0 40 HJAB Cc1ccc(CSCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 223720741 WIPUKKKAPCJGQH-HXUWFJFHSA-N 424.610 4.704 0 40 HJAB CC(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 223793540 KRQDQFVQXWSNIR-UHFFFAOYSA-N 414.977 4.871 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 223861636 PVFAKQWOBFJPHM-INIZCTEOSA-N 421.368 4.788 0 40 HJAB O=C(NC1CCCCCCC1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223978872 HURBKGXUCNITOX-UHFFFAOYSA-N 420.962 4.984 0 40 HJAB Cc1c(Br)cnc(NC(=S)NC2CCCCCC2)c1Br 224040824 PYDKYGOMXHWYOW-UHFFFAOYSA-N 421.202 4.924 0 40 HJAB Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1 224665339 HEOFGIBGEOPQFF-OAQYLSRUSA-N 422.569 4.548 0 40 HJAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCCNc1ccccc1 225050028 DEPDEKUZEOQUBD-DHIUTWEWSA-N 419.598 4.939 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCOc2ccccc2Cl)cc1Cl 225780508 QUKVKUGABMTHSA-UHFFFAOYSA-N 413.326 4.536 0 40 HJAB Cc1ccc(-c2noc(CNC(=S)Nc3ccc(OC4CCCC4)cc3)n2)cc1 225817953 PMYZCFZKOOVMDO-UHFFFAOYSA-N 408.527 4.853 0 40 HJAB FC(F)(F)c1cc(NC(=S)NCc2nc(-c3cccs3)no2)ccc1Cl 225826977 ZHCKEYYQKPZGBL-UHFFFAOYSA-N 418.853 4.957 0 40 HJAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)Cc3ccccc3OC)o2)c1 257236229 HBHHWWDHVKKYNX-JOCHJYFZSA-N 420.509 4.579 0 40 HJAB CC(C)n1nccc1C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257328635 XGMXSIVSJIBYBI-KRWDZBQOSA-N 412.921 4.716 0 40 HJAB CC(C)(C)C(=O)N1CCC[C@H]1c1nc(CCCc2ccccc2)c(C(=O)O)s1 257331807 XUIOCURUZCZLON-KRWDZBQOSA-N 400.544 4.726 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1C 408564077 XMEXRDOELSWABX-UHFFFAOYSA-N 402.523 4.598 0 40 HJAB Cc1cccc(C)c1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 408736782 HTUFGLKPMLWLDT-QFIPXVFZSA-N 402.494 4.780 0 40 HJAB CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)NC(SCc2cccc(C)c2)=N1 408986341 BWECLFDVDPEDPR-GOSISDBHSA-N 420.365 4.995 0 40 HJAB CC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 409096069 CHHPNAMFFOMNMD-XDHOZWIPSA-N 406.825 4.900 0 40 HJAB O=C(N[C@H](c1c[nH]c2ccccc12)C(F)(F)F)c1ccc(CN2CCCC2)cc1 553152140 BXTSTUPUDGDUSJ-HXUWFJFHSA-N 401.432 4.797 0 40 HJAB CC1(C)C[C@@]2(CCCN2C(=O)c2cccc(C(F)(F)F)n2)CN1c1ccc(F)cc1 2037988570 WMYSBUPXFUJTEW-NRFANRHFSA-N 421.438 4.903 0 40 HJAB O=c1oc2ccc(Br)cc2cc1-c1nnc(Nc2ccc(F)cc2)s1 856277 NIQOZLOEKWYMIZ-UHFFFAOYSA-N 418.247 4.957 0 40 HJAB COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2cc(C)cc(C)c2)c1C 871532 CXMQEXZJKZYOGH-UHFFFAOYSA-N 412.467 4.558 0 40 HJAB COc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(C)cc3)cs2)cc1 932696 MCROYCKAOMTEMK-FQEVSTJZSA-N 408.523 4.953 0 40 HJAB CC(C)CCOC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1c1ccccc1 1322384 SIEQNYRGGIAZML-RBUKOAKNSA-N 417.299 4.706 0 40 HJAB biogenic CCOc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(F)c3)C3CCCC3)cc2c1 1366885 NCQPXZVDRVFARS-UHFFFAOYSA-N 408.473 4.651 0 40 HJAB CCOc1cc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)ccc1OC(=O)CC 2059263 RGUSQDGAGGWQAB-ZHZULCJRSA-N 415.445 4.898 0 40 HJAB CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(F)cc1)CC2=O)c1ccccc1 2423655 QBMLRYMSEPUNGW-IEBWSBKVSA-N 403.457 4.661 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(Cl)c(Cl)c2)cc1 2711707 CWMOHDZTGSLPQS-UHFFFAOYSA-N 415.367 4.596 0 40 HJAB COc1ccc2cc(OCc3nc4c5c6c(sc5ncn4n3)CCC6)ccc2c1 2788790 QQVKMWNQHVDPQO-UHFFFAOYSA-N 402.479 4.569 0 40 HJAB C[C@@H](O)CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12 3217589 PDSGZAINQNGJOU-SNVBAGLBSA-N 409.700 4.973 0 40 HJAB CCN(C(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1nc2cc(Cl)ccc2s1 3344564 KXSKMKQRROCSGJ-AWEZNQCLSA-N 419.959 4.669 0 40 HJAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 4498628 HMEBDXRTUJARBV-JWGURIENSA-N 406.551 4.998 0 40 HJAB COc1ccc(C(=S)N2CCCC2)cc1OC(=O)c1cc(Cl)ccc1Cl 4589522 HYCCEZRAGHHMRK-UHFFFAOYSA-N 410.322 4.993 0 40 HJAB CN(C)NC(=S)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 4739767 HXWHDHLIBDDZRJ-UHFFFAOYSA-N 411.581 4.850 0 40 HJAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1 4742070 UDPOQQNMNHSUQI-HSZRJFAPSA-N 410.477 4.973 0 40 HJAB COc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CCCCC2)cc1OC 4935364 OSJXMCGGIXVNMI-UHFFFAOYSA-N 421.493 4.785 0 40 HJAB CCOc1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1 5136266 SYRJVUMIDHPAIZ-UHFFFAOYSA-N 420.534 4.921 0 40 HJAB O=C(COc1ccc2ccccc2c1)NCCc1csc(-c2cccc(F)c2)n1 5137446 IHBBDROLNLIBDA-UHFFFAOYSA-N 406.482 4.840 0 40 HJAB O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cc4ccccc4s3)c(=O)n1C2 5410473 WPNOEPJJMFIYCO-DOTOQJQBSA-N 416.502 4.583 0 40 HJAB biogenic,in-vitro O=C(COc1ccc2ccccc2c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 5741308 IBBSVCBQPSRUJQ-UHFFFAOYSA-N 414.427 4.586 0 40 HJAB O=C(COC(=O)CCCSc1nc2ccccc2[nH]1)Nc1cccc2ccccc12 6566850 GAPWHQXXHOHSPH-UHFFFAOYSA-N 419.506 4.770 0 40 HJAB aggregator Cc1cc(I)cnc1NC(=O)/C=C/c1ccc(C(C)C)cc1 6572460 YZLSVJOYVUUPDV-RMKNXTFCSA-N 406.267 4.770 0 40 HJAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 6934853 IFPKVGLAVYCWCW-UHFFFAOYSA-N 406.482 4.724 0 40 HJAB CCOc1ccccc1NC(=O)[C@@H](Nc1cccc(NC(C)=O)c1)c1ccccc1 7224501 IOKFMKKKNNAMCR-QHCPKHFHSA-N 403.482 4.836 0 40 HJAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCc2sccc2[C@H]1c1cccs1 7947946 VDYQLEOUIKQZKE-KRWDZBQOSA-N 403.912 4.980 0 40 HJAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)CSc3nncs3)nc12 8505307 ZFWFIAJYJIKOIQ-UHFFFAOYSA-N 412.565 4.782 0 40 HJAB O=C(CSc1nc2scc(-c3cccs3)c2c(=O)[nH]1)c1cc(F)ccc1F 8745766 RRHYMQZNBIGFFC-UHFFFAOYSA-N 420.487 4.966 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 9198244 DGYXYHIURZNYSK-UHFFFAOYSA-N 409.298 4.518 0 40 HJAB COc1ccc(Nc2nc(Nc3ccc(OC)c(Cl)c3)c3cnn(C)c3n2)cc1 9212231 OZSXGVUNQLBMKW-UHFFFAOYSA-N 410.865 4.521 0 40 HJAB COc1cc([C@H]2c3c(n[nH]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)ccc1O 9412756 IKISJUQFPCZSOF-QHCPKHFHSA-N 415.424 4.680 0 40 HJAB O=C(CSc1ccc(-c2cccnc2)nn1)Nc1cc(C(F)(F)F)ccc1Cl 10221043 YZNKRXDWMPBGHT-UHFFFAOYSA-N 424.835 4.942 0 40 HJAB Cc1cccc(N2CCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)CC2)c1 10262486 ODJUQCQUHIRVNN-UHFFFAOYSA-N 409.917 4.585 0 40 HJAB CCOC(=O)c1ccc(NC(=O)CSCc2ccccc2Br)c(C)c1 10446286 WPWOJFDDKJELOB-UHFFFAOYSA-N 422.344 4.806 0 40 HJAB Cc1sc(NC(=O)Cc2cn3ccsc3n2)nc1-c1ccc(OC(F)F)cc1 10652599 FKADXFUCFWCSQU-UHFFFAOYSA-N 420.466 4.610 0 40 HJAB Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c(N)n(Cc2ccc(Cl)cc2)c1C 12372569 VRZKZBFFBOKTOY-UHFFFAOYSA-N 409.338 4.875 0 40 HJAB CN(C)c1cccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 12632923 NFNYURIHDAKQAB-UHFFFAOYSA-N 410.521 4.594 0 40 HJAB CC(C)[C@@H](NC(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O)c1ccccc1 12973046 JFBQWGXTLSMDBD-JOCHJYFZSA-N 417.534 4.639 0 40 HJAB CCOc1c(Br)cc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1OC 13137552 DEDHXIVUNXNALY-YBEGLDIGSA-N 416.271 4.509 0 40 HJAB CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)c1ccc(Cl)cc1)S2 13137850 MROHHNQPQZDDKZ-SJLPKXTDSA-N 419.337 4.789 0 40 HJAB CCN(CC)Cc1ccc(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 14168304 HUNOOWRWWXWWKB-UHFFFAOYSA-N 402.542 4.522 0 40 HJAB Cn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H]1COc2ccccc2O1 14254556 GSNIKEBHDQBRLF-MRXNPFEDSA-N 408.310 4.927 0 40 HJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(I)cc1 14665166 XXMCMUUEJZYLTL-ZDUSSCGKSA-N 423.294 4.995 0 40 HJAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccnn1Cc1ccc(Cl)cc1 15641296 GSABIWGYSUIOIH-UHFFFAOYSA-N 404.901 4.931 0 40 HJAB Cc1cc(C)cc(OCCOC(=O)c2cccnc2SCc2c(C)noc2C)c1 16695633 IKFKUWFDPRJMJL-UHFFFAOYSA-N 412.511 4.831 0 40 HJAB CN(C)c1ncc(-c2cccc(Cl)c2)c(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)n1 19695234 AYDUOIKTPUGIFB-KRWDZBQOSA-N 424.976 4.925 0 40 HJAB CCN(CC)C1CCN(C(=O)c2cc(-c3ccccn3)nc3ccc(C)cc23)CC1 19719050 PISOUOJDLYIHFG-UHFFFAOYSA-N 402.542 4.552 0 40 HJAB CC(=O)Nc1ccc(-c2nnc(SCc3cccc(Br)c3)o2)cc1 19929241 KSMGRVMZTQDWDA-UHFFFAOYSA-N 404.289 4.750 0 40 HJAB O=C(O)COc1cc(NC(=O)c2cccs2)ccc1-c1nc2ccccc2s1 20158326 GOCXLAQHUKKTLX-UHFFFAOYSA-N 410.476 4.741 0 40 HJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 20459351 MLGJSFLITZDWAM-KRWDZBQOSA-N 420.534 4.745 0 40 HJAB Cc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)N(CC(C)C)c2ccccc23)cc1 20636570 OAOZATYQBFUKDW-AREMUKBSSA-N 411.505 4.923 0 40 HJAB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@H]([C@H]2CC=CCC2)n2c1nc1ccccc12 20675966 PNIHONYEGOFQST-WMQCIHAUSA-N 409.530 4.650 0 40 HJAB O=C(CN1CCC[C@H](C(F)(F)F)C1)Nc1ncc(Cc2ccccc2Cl)s1 22240880 TZWHBFVGQGQRFI-ZDUSSCGKSA-N 417.884 4.600 0 40 HJAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 25644926 AOMYZKVPDQEADD-OAQYLSRUSA-N 423.513 4.903 0 40 HJAB Cc1ccsc1C(=O)Nc1c(C)nn(Cc2ccc(Br)cc2)c1C 27921549 RGAIQWYRSZWRJD-UHFFFAOYSA-N 404.333 4.933 0 40 HJAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 30853264 MCRJGQBBDUCHLQ-UHFFFAOYSA-N 411.479 4.765 0 40 HJAB CC[C@@H]1CCc2sc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCCC3)cc2C1 32960839 SOWKVQZIOZWAFE-DYESRHJHSA-N 412.599 4.839 0 40 HJAB Cc1cc(C)c2c(=O)cc(CSCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c2c1 33064104 WNGOKRVCIPAWKD-UHFFFAOYSA-N 400.931 4.979 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 33562413 XLVPIECORUYMEH-UHFFFAOYSA-N 422.293 4.977 0 40 HJAB CCc1cccc2c(/C=C3/C(=O)N(CC)C(=S)N3C)cn(Cc3ccc(F)cc3)c12 39556546 LTAOWMTYWCNDAU-BKUYFWCQSA-N 421.541 4.811 0 40 HJAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccnc(Oc2ccccc2)c1 40110617 UYTQKNFYHYNVDL-UHFFFAOYSA-N 403.413 4.906 0 40 HJAB COc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2-c2ccc(C)cc2)cc1 44086458 PAPNQJLOSGXOSQ-UHFFFAOYSA-N 421.566 4.961 0 40 HJAB COc1cc(Nc2c(C(=O)N3CCC[C@H](C)C3)cnc3nc(C)ccc23)cc(OC)c1 49005402 RPHXZWDVUSFURS-HNNXBMFYSA-N 420.513 4.571 0 40 HJAB CC(C)c1ccc([C@H](NCC(=O)Nc2ccc3c(c2)OCCO3)c2cccs2)cc1 57273752 QLVKHYFCTXODGZ-DEOSSOPVSA-N 422.550 4.960 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCc1cc(Cl)cc(Cl)c1 60114459 BKLPJYVPINNSDU-UHFFFAOYSA-N 406.288 4.908 0 40 HJAB CCOC(=O)C1=C(C)Nc2c(-c3ccc(Cl)cc3)cnn2[C@H]1c1cccc(O)c1 71405480 ZUNMVGRSTNSSHX-FQEVSTJZSA-N 409.873 4.761 0 40 HJAB CCCCN(Cc1nc(=O)c2cc(OC)c(OC)cc2[nH]1)[C@@H](CC)c1ccccc1 72285247 NCBDFFUXXOQBOY-FQEVSTJZSA-N 409.530 4.694 0 40 HJAB CCOc1cc(C(=O)NCc2ccc(Br)cc2)cc(OCC)c1OCC 72331505 VPRSSJCAFHFSHL-UHFFFAOYSA-N 422.319 4.575 0 40 HJAB COc1c(C)cccc1C(=O)N1CCCC[C@@H]1c1nc(C)ncc1-c1ccncc1C 72390703 UCWNAXCXXVUOPS-JOCHJYFZSA-N 416.525 4.840 0 40 HJAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 89689265 AQLWHUJTQSSPRN-UFYCRDLUSA-N 409.530 4.699 0 40 HJAB CCN(Cc1ccccc1)C(=O)c1cc(-c2cnc(Nc3ccccc3)nc2)cn1C 96147592 KFYYENWXNKVNOX-UHFFFAOYSA-N 411.509 4.888 0 40 HJAB CSc1ncccc1C(=O)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 97994358 DVDBHHCTBVHMFE-TWGQIWQCSA-N 418.518 4.935 0 40 HJAB CC1=CC(C)(C)N(C(=O)N[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c2cc(C)c(C)cc21 100119599 MLIZIWCWBQOBSO-GBESFXJTSA-N 423.557 4.536 0 40 HJAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl 222730901 AYRSIOCBUMMQML-QZTJIDSGSA-N 403.338 4.781 0 40 HJAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 222818738 JNFUNQNSGWQQBZ-VQTJNVASSA-N 419.579 4.863 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 223319864 ANYXUFRAUVYDJI-FQEVSTJZSA-N 421.368 4.706 0 40 HJAB Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4cc(C)cc(C)c4)ccc32)cc1 223374580 FYNXCKXYJQQKCC-UHFFFAOYSA-N 420.534 4.616 0 40 HJAB CC(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 223793373 KPVTYISKNHOEEB-UHFFFAOYSA-N 414.977 4.871 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 223989001 QDPDQQDRZDCMGW-DEOSSOPVSA-N 424.585 4.578 0 40 HJAB CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1NC(=O)C(C)C 225283110 WNIDJLVHEAGXII-MRXNPFEDSA-N 420.600 4.659 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225454664 MVHUISPKKMHLJT-QGZVFWFLSA-N 418.990 4.764 0 40 HJAB C[C@H]1C[C@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccccc3Cl)n2)C1 225938856 IGVUQFGPTAZSSM-STQMWFEESA-N 424.401 4.752 0 40 HJAB Cc1cccc(C)c1OCC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 257301891 SAKPBTJUUWPLOY-NRFANRHFSA-N 404.510 4.667 0 40 HJAB CCc1n[nH]c(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)c1C 257318129 VMPRDYVCIQMSAD-IBGZPJMESA-N 412.921 4.880 0 40 HJAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)[C@H]3CC=CCC3)CC2)n1 257329373 XJSILZISCMTLFJ-UFYCRDLUSA-N 408.546 4.803 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)cc(C)c1Cl 408705725 MBHYJRVRLCTTTD-INIZCTEOSA-N 402.922 4.749 0 40 HJAB Cc1ccc(CN(c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)S(C)(=O)=O)cc1 409026823 ZAVZBSFDPXDPBF-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(C)c1 409200238 HRMTVRTZOBHCAO-UHFFFAOYSA-N 400.935 4.581 0 40 HJAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 605366379 FPGROVTUBWBEPG-RKVPGOIHSA-N 410.518 4.928 0 40 HJAB CN1Cc2cccc(c2)CN(Cc2cccc(F)c2)CCCOc2ccccc2C1=O 643558966 XOICWOKOPXXEJJ-UHFFFAOYSA-N 418.512 4.883 0 40 HJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1ccc(OC(F)(F)F)cc1 675008295 PDCUOAAJWJZRCC-CQSZACIVSA-N 413.442 4.839 0 40 HJAB COc1cccc(Cc2cnc([C@@H]3CCCCN3Cc3ccc(C(=O)O)cc3)o2)c1 1848353343 TTZDNOTXFHMJMQ-QFIPXVFZSA-N 406.482 4.699 0 40 HJAB Cn1cc(-c2cnc3nc4c(cc3c2)CN(Cc2ccccc2C(F)(F)F)CC4)cn1 2298124934 UCMDHIIQXQGDBK-UHFFFAOYSA-N 423.442 4.607 0 40 HJAB C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C(=O)NC2CCCCC2)ccc1Cl 713036 BDEKDDRDEVBRRU-OAHLLOKOSA-N 400.906 4.809 0 40 HJAB Cc1ccc(NC(=S)N2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1C 1349630 DATYZSCPRUFJGW-UHFFFAOYSA-N 408.596 4.946 0 40 HJAB CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(F)cc3Cl)cc2oc1=O 2095928 HWAZVSGZPNKGHT-UHFFFAOYSA-N 418.848 4.969 0 40 HJAB biogenic CCOP(=O)(OCC)[C@@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl 2311295 HQPDYNAMPWZGEZ-GFCCVEGCSA-N 406.605 4.518 0 40 HJAB CC(=O)c1ccc(N(Cc2c(C)noc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 2644822 COSCIKLVYXICFT-UHFFFAOYSA-N 418.902 4.543 0 40 HJAB CC(=O)c1ccccc1NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 2657971 NSLSOGCPUCIXBA-UHFFFAOYSA-N 421.453 4.718 0 40 HJAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 3216590 FLZVMTHFTIQCTJ-UHFFFAOYSA-N 421.880 4.983 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 3224427 INSJOOWLQCMSKO-INIZCTEOSA-N 413.901 4.925 0 40 HJAB COc1ccc(CCN[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1OC 3281960 FBBNVLNIKGPJOD-GOSISDBHSA-N 404.510 4.530 0 40 HJAB COC(=O)c1ccc(CSc2nnc(-c3ccoc3C)n2-c2ccccc2)cc1 3404388 MTRAFRNLFBIFIY-UHFFFAOYSA-N 405.479 4.915 0 40 HJAB O=C(CCc1c[nH]c2ccccc12)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 3538480 NFOJHLHNEUBYEE-UHFFFAOYSA-N 416.550 4.754 0 40 HJAB CCCCSc1nnc(CNC(=O)c2cccc(F)c2)n1-c1cccc(Cl)c1 4059328 ITAYJXRIMVIMHQ-UHFFFAOYSA-N 418.925 4.882 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)c3ccccc3)n2Cc2ccco2)cc1 4296024 AJXDCTKVGCIIOE-UHFFFAOYSA-N 419.506 4.782 0 40 HJAB Cc1ccc(Nc2nc3nonc3nc2Nc2cccc(Br)c2)cc1C 4358335 VAPNMBHRZPOTTB-UHFFFAOYSA-N 411.263 4.879 0 40 HJAB Cc1cccc(N2CCN(CCCOC(=O)Nc3cccc4ccccc34)CC2)c1 4823086 VPWGCPCEGGVUIK-UHFFFAOYSA-N 403.526 4.909 0 40 HJAB CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)c1 5244516 GLAPYPPKKJTKDO-QFIPXVFZSA-N 412.445 4.645 0 40 HJAB CC(C)[C@H](NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)OCCCO2 5407849 YQKBZYGOANVFNO-IBGZPJMESA-N 404.304 4.738 0 40 HJAB CCCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)cc1 5738247 HDIKCQXUHIBMJU-UHFFFAOYSA-N 408.328 4.877 0 40 HJAB biogenic CC1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)CC1 6348777 KLVVDAZCBYCMBM-UHFFFAOYSA-N 402.947 4.765 0 40 HJAB O=C(CSc1nnc(-c2cccs2)o1)N[C@@H](c1ccccc1)c1cccs1 7485880 OBSFLCNMCRZNQL-KRWDZBQOSA-N 413.549 4.858 0 40 HJAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3oc4ccccc4c3c2)cc1 7708345 HNORHYGNPWDFQL-UHFFFAOYSA-N 406.463 4.514 0 40 HJAB Cc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)oc2ccc(Br)cc12 7987145 UKRHIDLFAPLNSM-KRWDZBQOSA-N 413.315 4.508 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1 8164942 FEMUWMOCJLSXJE-MRXNPFEDSA-N 416.481 4.547 0 40 HJAB CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(Br)cc1 8203101 YBKJSTRWKDGFKA-UHFFFAOYSA-N 402.317 4.703 0 40 HJAB COc1ccc([C@H]2N=C(C(Cl)(Cl)Cl)N=C(C(Cl)(Cl)Cl)N2)cc1 8397844 WAUHMEOAIOYNNX-UHFFFAOYSA-N 423.942 4.834 0 40 HJAB Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2ccc(C(=O)O)cc2)cc1 8719957 OOBBJWQLWBPRGG-QGZVFWFLSA-N 413.477 4.582 0 40 HJAB C[C@@H](CCc1ccco1)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 8765411 GNYVGLVKFSJOHX-KRWDZBQOSA-N 417.461 4.569 0 40 HJAB biogenic Cc1ccc(-c2csc(SCC(=O)Nc3ccccc3C(=O)NC3CC3)n2)cc1 8860772 LQHXQEVJJMNECE-UHFFFAOYSA-N 423.563 4.742 0 40 HJAB O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1C(F)(F)F 9520481 AQUBQOYLPIXYTN-UHFFFAOYSA-N 423.441 4.882 0 40 HJAB O=C(c1cc(=O)c2ccccc2o1)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1 10254579 WUIYNVPABGYUTB-UHFFFAOYSA-N 410.857 4.699 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1NS(=O)(=O)c1ccccc1 10315143 YOFHMDCGHBMRSL-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB CC(C)c1ccc(-c2csc(NC(=O)CCNC(=O)Cc3ccccc3)n2)cc1 12735796 SPBGPGRBCLNETO-UHFFFAOYSA-N 407.539 4.621 0 40 HJAB C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CC=C(c2ccc(O)cc2)CC1 12810508 AQPOMAWXTGIXPX-CQSZACIVSA-N 404.482 4.823 0 40 HJAB COc1ccc(OC)c(NC(=O)c2cc(Br)c(Br)s2)c1 13019985 WXOIUEODYDLTCP-UHFFFAOYSA-N 421.110 4.543 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccc(C)cc2C)n1CC 13879583 VSNHPNZGZNHAQS-UHFFFAOYSA-N 424.570 4.787 0 40 HJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 13994953 QULPBUHKXOTZMM-QFIPXVFZSA-N 402.494 4.721 0 40 HJAB COc1ccc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)cc1C 14186315 VOYNLPLXORQDHD-UHFFFAOYSA-N 420.383 4.522 0 40 HJAB CSc1ncc(C(=O)N(C)Cc2c(F)cccc2Cl)n1-c1ccc(F)cc1 15317168 CWWWQUGUYSGVBK-UHFFFAOYSA-N 407.873 4.798 0 40 HJAB COc1ccc(-c2nn(C)c(NC(=O)c3oc4c(c3C)[C@@H](O)CC(C)(C)C4)c2C)cc1 19565257 TTZPLYZDFNSZKR-KRWDZBQOSA-N 423.513 4.564 0 40 HJAB Cc1nn([C@@H](C)CC(=O)N2CCC[C@@H](COc3ccccc3F)C2)c(C)c1Cl 19577508 PANSGIVXJFBHKM-WMLDXEAASA-N 407.917 4.561 0 40 HJAB Cc1noc2nc(C(C)C)cc(C(=O)N3CCC[C@@H](c4nc5ccccc5n4C)C3)c12 19714751 CTRQXDHJFRQPEQ-MRXNPFEDSA-N 417.513 4.561 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN(Cc3ccsc3)CC2)c1 22800038 KBPFNQCELIMBOJ-DEOSSOPVSA-N 419.594 4.863 0 40 HJAB Cc1ccc(CSc2nnc(NC(=O)c3cncc(Br)c3)s2)cc1 23505380 YKFCWFMHQBICTJ-UHFFFAOYSA-N 421.345 4.549 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 24443267 VIHLJSXWNAISPB-UHFFFAOYSA-N 412.489 4.860 0 40 HJAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)c1cccc(F)c1 28225328 OLYDFCWNPVGJAU-UHFFFAOYSA-N 402.267 4.702 0 40 HJAB Cc1cc(C(=O)Nc2nc3nc(-c4cccs4)cc(C(F)(F)F)c3s2)no1 32676301 WGUCMMUZSZEQGA-UHFFFAOYSA-N 410.402 4.987 0 40 HJAB Cc1ccc(-c2nc(C)c(C(=O)Nc3cccc(Cl)c3N3CCOCC3)s2)o1 32924088 OLOZBWJIZNRMGY-UHFFFAOYSA-N 417.918 4.762 0 40 HJAB CC(C)c1ccc(-n2nnnc2C2(N3CCCCC3)C3CC4CC(C3)CC2C4)cc1 35170778 QYCVDSHHDDHMQJ-UHFFFAOYSA-N 405.590 4.923 0 40 HJAB CCOc1ccc(C(=O)C2CCN(CC(=O)Nc3cccc(Cl)c3C)CC2)cc1 35312021 SMQNMNXBZZNTRK-UHFFFAOYSA-N 414.933 4.581 0 40 HJAB CCOC(=O)c1ccc2nc(NC(=O)c3c(C)noc3-c3ccc(C)cc3)sc2c1 35672794 PJOYVQATYZIVJW-UHFFFAOYSA-N 421.478 4.997 0 40 HJAB CCOc1ccc(NC(=O)N2CCC(Cn3cnc4cc(C)c(C)cc43)CC2)cc1 38536208 PBTMAQGFJPHOAI-UHFFFAOYSA-N 406.530 4.996 0 40 HJAB COC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 38835141 FNORXIOQSQQNPN-UHFFFAOYSA-N 421.324 4.631 0 40 HJAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCCCN1CCC[C@@H](C)C1 40108842 PLJMGEPXBZWMGI-OAHLLOKOSA-N 421.994 4.536 0 40 HJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3F)n[nH]2)cc1 51315478 TWDIHZMRHADDQC-UHFFFAOYSA-N 404.239 4.629 0 40 HJAB C[C@H](NCc1ccccc1CN1CCCCC1)C(=O)Nc1ccc2ccccc2c1 57286180 AFVVCSXHYBVDNP-FQEVSTJZSA-N 401.554 4.943 0 40 HJAB COc1cc(NC(=O)[C@H](C)N[C@H](c2ccccc2)c2ccc(C)cc2)cc(OC)c1 58135648 SWSJDFCVXLWKEM-MHECFPHRSA-N 404.510 4.718 0 40 HJAB COc1cc(OC)cc(-n2c(SCCc3ccccc3)nc3ccccc3c2=O)c1 67258605 JDSMHGKYZYMCHX-UHFFFAOYSA-N 418.518 4.738 0 40 HJAB O=C(Nc1cccc(NC(=O)c2ccc(Sc3ccccn3)cc2)c1)NC1CC1 69949968 CNDYCFLKJCSOEM-UHFFFAOYSA-N 404.495 4.769 0 40 HJAB CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)[nH]n1 72331262 AJHNHAMTVSJKMO-UHFFFAOYSA-N 418.541 4.526 0 40 HJAB COc1ccc([C@H]2N=C(c3ccccc3O)C[C@@H](c3cc(OC)ccc3OC)N2)cc1 80325070 XLOIZIFVKKWIGH-DHLKQENFSA-N 418.493 4.641 0 40 HJAB O=C(COc1ccccc1Cc1ccccc1)Nc1ccc(NC(=O)NC2CC2)cc1 84541437 DXZQGHKMCUOTOR-UHFFFAOYSA-N 415.493 4.579 0 40 HJAB O=C(CN1[C@H]2CC[C@H]1CC(O)(c1ccco1)C2)N(C1CCCCC1)C1CCCCC1 100127972 YZLQKHFRTNHDED-VXKWHMMOSA-N 414.590 4.588 0 40 HJAB CC[C@H](NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1nnc(C)n1)(C3)C2)c1ccc(C(C)C)cc1 102527872 DFGQYBMSUFJTEQ-ASRJETNPSA-N 421.589 4.668 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 136529834 UIXCLRPXKJQDGR-OYRHEFFESA-N 402.494 4.519 0 40 HJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219035515 ZDOGNJAVENYJMH-OAHLLOKOSA-N 421.884 4.969 0 40 HJAB CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC 222577379 ZLUTUYGNNNJSBN-RZAIGCCYSA-N 403.935 4.732 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222768472 QXZTVOXXKCIYAQ-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCOc1ccccc1 223703855 ZVRKBGTZYKRNGE-QHCPKHFHSA-N 424.585 4.610 0 40 HJAB Cc1cc(C)cc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 224113791 HAMCAHDLTAKIAO-UHFFFAOYSA-N 418.940 4.503 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 224190079 ZIBDOIAOOMWCRF-DEOSSOPVSA-N 406.570 4.712 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 225154071 HGOHJCIHXTWPLR-HOTGVXAUSA-N 421.368 4.868 0 40 HJAB O=C(N[C@H]1CC2(CCCCC2)Oc2ccccc21)c1ccc(Cn2ccnc2)cc1 225462239 KILOJVIERVETEH-QFIPXVFZSA-N 401.510 4.888 0 40 HJAB O=S(=O)(c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)N1CCCCCC1 225463424 YPGHNKOEPBBDND-UHFFFAOYSA-N 423.991 4.714 0 40 HJAB C[C@@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NCc2ccco2)n1 225912583 YKDUIGCFVAUPPQ-MRXNPFEDSA-N 423.542 4.727 0 40 HJAB CC(C)C[C@@H]1[C@H](Nc2ccccc2)CCCN1Cc1ccc(S(C)(=O)=O)cc1 257293595 QQHZCYAPIXBZJQ-DHIUTWEWSA-N 400.588 4.581 0 40 HJAB O=C1NC(=O)/C(=C\c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)N1 409053929 DSDKAMZSRBYTEH-VCHYOVAHSA-N 413.260 4.906 0 40 HJAB COc1ccc(-c2cc(C(=O)N(C)Cc3ccsc3)nn2-c2ccccc2)cc1 613180692 RQBLNQSSNVJWRW-UHFFFAOYSA-N 403.507 4.882 0 40 HJAB Cc1cnn(-c2ccccc2)c1NC(=O)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 1532030800 BXUTXBWIWYKCNW-AWEZNQCLSA-N 403.404 4.897 0 40 HJAB CC(C)c1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 627385 OOQFCMGZQKECHQ-MOPGFXCFSA-N 406.482 4.668 0 40 HJAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1C 903507 FBKCENKNBPPBHF-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1ccc(F)c(Cl)c1 1100445 LERLWYYWBNHQOA-UHFFFAOYSA-N 418.906 4.981 0 40 HJAB Cc1cccc(-c2nc3s/c(=C\c4ccc(-c5cccc(Cl)c5)o4)c(=O)n3n2)c1 2375463 UNHRHGKVJXSSRD-UNOMPAQXSA-N 419.893 4.588 0 40 HJAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1Cl 2680394 GAJPKSKNCFZBIK-UHFFFAOYSA-N 405.281 4.789 0 40 HJAB CCOc1ccc(-n2c(SCc3cccc(F)c3)nc3c(c2=O)SCC3)cc1 2719910 MEXRGJQFEZWMNA-UHFFFAOYSA-N 414.527 4.711 0 40 HJAB Nc1ccc(Cl)cc1C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 3405740 ASJCQSCDEDCIPY-UHFFFAOYSA-N 408.068 4.678 0 40 HJAB CN(C)CCCN(C(=O)C1CCCCC1)c1nc2ccc(Br)cc2s1 4359662 LJUGFKRXYAIBAT-UHFFFAOYSA-N 424.408 4.924 0 40 HJAB O=C(CSc1nc(-c2ccccc2O)n[nH]1)Nc1ccccc1-c1ccccc1 5528271 ONTBAMIHVOFAOL-UHFFFAOYSA-N 402.479 4.575 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1 6097068 RRYDHVFKZWYHPA-NRFANRHFSA-N 422.554 4.794 0 40 HJAB COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)cc1 6157262 DTJMQLKNVDWTQW-UHFFFAOYSA-N 416.506 4.674 0 40 HJAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(C)c1 6362188 CHJAZMGYCSDCRL-IBGZPJMESA-N 422.550 4.904 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCC[C@@H]2CCCC[C@@H]21 7329472 AVCVUOYBLQUEQX-HKUYNNGSSA-N 422.554 4.801 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CC[C@H]2CCCC[C@@H]2C1 7329476 PTPRABSHDNQHCT-QZTJIDSGSA-N 422.554 4.658 0 40 HJAB Cc1cc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2C2CC2)c(C)n1Cc1ccco1 7904242 JSJDTQOTDGZNLT-OAHLLOKOSA-N 410.543 4.914 0 40 HJAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2csc(-c3ccsc3)n2)C1=O 9155633 OTSLZIFVKKRGFA-JOCHJYFZSA-N 419.531 4.992 0 40 HJAB COc1cc(C)c(C(=O)CSc2nnc(-c3cccnc3)n2CC(C)C)cc1C 9226045 AGHTUJKDLQKABE-UHFFFAOYSA-N 410.543 4.597 0 40 HJAB COc1cccc(C(=O)N2c3ncnn3[C@H](c3ccc(C)cc3)C[C@H]2c2ccccc2)c1 10060309 YFKWNKXERRLMPB-ZEQRLZLVSA-N 424.504 4.976 0 40 HJAB Cc1ccc([C@H](NCC(=O)Nc2cc3c(cc2Cl)OCO3)c2ccccc2)cc1 12747164 BLLPSCBQGLAYRK-HSZRJFAPSA-N 408.885 4.695 0 40 HJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 13685287 NBUMPSCSQNTUGH-QGZVFWFLSA-N 414.461 4.769 0 40 HJAB CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 13757641 XMMKDNVRLXROGB-ZJQURUERSA-N 410.489 4.721 0 40 HJAB COC(=O)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc(OC)c4)=NN23)cc1 13758103 JNSIPKVGNDUFPS-VWNXMTODSA-N 414.461 4.724 0 40 HJAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(NC(=S)Nc2ccccc2)cc1 13936073 ADKZEXUKVBGXBN-UHFFFAOYSA-N 417.943 4.950 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(C)c1 13999455 MRRIMLJOGCNZGN-IBGZPJMESA-N 402.494 4.812 0 40 HJAB COc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1OC 16157632 IWOBHYVDYOQTCI-UHFFFAOYSA-N 424.884 4.791 0 40 HJAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(F)c(Cl)c1 17087782 GVNKHRBZAWZRBC-UHFFFAOYSA-N 407.681 4.921 0 40 HJAB Cc1cc(C)cc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 20345404 YZPFGIRWIJTHRK-UHFFFAOYSA-N 411.552 4.913 0 40 HJAB CC1=C(NC(=O)c2cc(-c3cccc(Cl)c3)on2)[C@H](C)NN1Cc1ccccc1C 20418503 QIIBWRRTVJPZNB-HNNXBMFYSA-N 422.916 4.674 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3ccc(F)cc3)nnc2c1-c1ccc(Cl)cc1 20633749 JGYDUPBRVKLKGP-UHFFFAOYSA-N 409.852 4.707 0 40 HJAB O=C(O)CC1(CNC(=O)Cc2csc(-c3cccc(Cl)c3)n2)CCCCC1 20738159 DJHZPFPQCFWWPZ-UHFFFAOYSA-N 406.935 4.547 0 40 HJAB CCCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22257122 HTUNSQQBNVEXMY-UHFFFAOYSA-N 405.545 4.522 0 40 HJAB Cc1ccccc1Nc1nc(N)nc(CN(Cc2cccs2)Cc2cccs2)n1 24529245 DBEUEXPKZJJXJY-UHFFFAOYSA-N 422.583 4.831 0 40 HJAB CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)cc1 24767530 ZGIYDCYBUVYRAX-FXAWDEMLSA-N 407.510 4.826 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)n2)c(C)c1 24834941 JVKMWQKZCYIBEY-KRWDZBQOSA-N 423.538 4.819 0 40 HJAB CN(Cc1ccc(Br)s1)C(=O)NCc1cccc(C(F)(F)F)c1 25988430 ZRPQXXOADADTNU-UHFFFAOYSA-N 407.255 4.871 0 40 HJAB O=S(=O)(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(Cl)s1 26877132 ABIGKWBWPUDQBR-BQBZGAKWSA-N 415.808 4.589 0 40 HJAB Cc1c(Nc2ncnc3scc(-c4ccccc4)c23)c(=O)n(-c2ccccc2)n1C 28464802 OKAWBIBIUBDTJP-UHFFFAOYSA-N 413.506 4.900 0 40 HJAB CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccc(C)c(C)c2)c2cccc(Cl)c21 32104719 ZPNQVHZKUPOFOE-HSZRJFAPSA-N 420.900 4.787 0 40 HJAB O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1ccccc1Br 32609691 ZWUZRYHAGBANNU-UHFFFAOYSA-N 408.658 4.739 0 40 HJAB Cc1cccc(NC(=O)COc2cccc(-c3noc(-c4ccccc4F)n3)c2)c1 33327351 DXGQGCBHIYUEQS-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB COc1ccc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)cc1 36616811 HSYVPMHGBUSYPB-HNNXBMFYSA-N 418.472 4.676 0 40 HJAB O=C(Nc1c(F)cccc1F)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 38754508 QCSODMVGLSIWBR-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 38857667 DHWSFJAGDZAKBF-OAHLLOKOSA-N 420.340 4.803 0 40 HJAB Cc1ccc(-c2csc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c23)cc1 40024913 WEBRZOLFHNDJKX-UHFFFAOYSA-N 410.543 4.724 0 40 HJAB Cc1ccc(F)c(NC(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)c1 40134537 YXMJRCPGACKSEJ-UHFFFAOYSA-N 406.383 4.532 0 40 HJAB O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1cccs1 57316599 ZYGCYVJFAKCRKY-UHFFFAOYSA-N 421.341 4.575 0 40 HJAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 69925479 OEDFIJGTISRUGP-UHFFFAOYSA-N 419.510 4.569 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)c4coc(NC(=O)C5CC5)n4)cc3)sc2c1 77099828 WDPOHZKTAZJHJR-UHFFFAOYSA-N 418.478 4.861 0 40 HJAB Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NCC2CC2)c2ccccc2O3)s1 96053098 SMWIRVZIZYJDQT-HXUWFJFHSA-N 424.610 4.874 0 40 HJAB CCCCc1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 97994321 GVTCBZSYKPTPBE-OQKWZONESA-N 413.481 4.913 0 40 HJAB O=C1[C@@H]2[C@@H]3C(Cl)=C[C@H](c4ccccc43)[C@H]2C(=O)N1c1cccc(Br)c1 100046135 MCKXPDXJJQJJHD-BZZMCLGOSA-N 414.686 4.572 0 40 HJAB C1=C(c2ccccc2)Nc2nnnn2[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 102230606 KUABBLHKFQCNQO-FQEVSTJZSA-N 423.505 4.643 0 40 HJAB Ic1cccc(-c2nc3cc(CN4CCCC4)ccc3o2)c1 216839213 IIMYUDCYPFABDJ-UHFFFAOYSA-N 404.251 4.695 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219324711 XINHWDQSPJWDHQ-RBUKOAKNSA-N 403.906 4.925 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1nccs1 222908256 VTSFDJZNYBVDGW-RTBURBONSA-N 411.600 4.574 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 223703129 NSYLHTHYZLYMKS-QFIPXVFZSA-N 412.599 4.811 0 40 HJAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1OCC 223768855 MTNHKSLAAUQHHE-QFIPXVFZSA-N 411.542 4.837 0 40 HJAB Cn1c(=O)sc2cc(NC(=O)CSCc3ccc(Cl)cc3Cl)ccc21 225065879 YRTXHOBCEFDQSG-UHFFFAOYSA-N 413.351 4.779 0 40 HJAB CCCC[C@H](CC)CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 225122218 YFHITZUJHIFEAJ-SZHLLGMXSA-N 414.571 4.860 0 40 HJAB CCc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1 225821437 NFVGXIAFHRXLOI-SFHVURJKSA-N 422.550 4.849 0 40 HJAB S=C(NCc1ccco1)Nc1nc(Oc2ccccc2)cc(N2CCCCCC2)n1 225913015 ABQJEUBKGRNYQX-UHFFFAOYSA-N 423.542 4.729 0 40 HJAB CCOc1cc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc2sc(N)nc12 226311440 SNGRESQADOFBFO-UHFFFAOYSA-N 412.298 4.845 0 40 HJAB Cc1nc(C)c(CC(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)s1 257285855 PJEWTHOHJOCYCV-IBGZPJMESA-N 413.518 4.774 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2Cl)cc1 408548463 SCYZKWRLPNCYLD-UHFFFAOYSA-N 422.978 4.860 0 40 HJAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 408678147 GFAXCZHMQVNCKP-QFIPXVFZSA-N 424.522 4.592 0 40 HJAB Cc1sc(NC(=O)[C@@H]2CCCN2C(=O)Oc2ccccc2)nc1-c1ccccc1 408738895 WUIZHZXYIRKEAI-SFHVURJKSA-N 407.495 4.720 0 40 HJAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2C)cc1 409097086 LMVGZUZLXCFTIU-UHFFFAOYSA-N 400.935 4.831 0 40 HJAB O=C(O)CN1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 409131911 PPRKZZLUMCCJMQ-UDWIEESQSA-N 419.458 4.540 0 40 HJAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc1 409344504 GSRBLFDWBNEMGB-ZDLGFXPLSA-N 414.914 4.886 0 40 HJAB COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)cn1 549186909 ZCFPPHLIJNFCBX-KRWDZBQOSA-N 421.501 4.634 0 40 HJAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)Nc1ccc(Cl)cc1Cl 1565524353 GMDXLHIMERZJCF-UHFFFAOYSA-N 419.308 4.527 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C)C3 928910 WZRDAQITYDSONV-KGLIPLIRSA-N 409.580 4.886 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 1368486 IBOGXQRDDBBTFI-UHFFFAOYSA-N 418.522 4.880 0 40 HJAB O=C(OCc1ccccc1Cl)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1 1432039 KWIDHPPMUXELGW-UHFFFAOYSA-N 422.847 4.538 0 40 HJAB O=C(Nc1ccccc1C(=O)OCc1ccc(Br)cc1)c1ccco1 2644659 NJVDGZFKJZFYGX-UHFFFAOYSA-N 400.228 4.651 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)c3ccccc3C(F)(F)F)cs2)cc1 4167095 JZDMRNYOPLDGIM-UHFFFAOYSA-N 406.429 4.810 0 40 HJAB CCOc1ccc2nc(N(CCN(CC)CC)C(=O)c3cccs3)sc2c1 4359441 AABCEDCSRHPPBM-UHFFFAOYSA-N 403.573 4.745 0 40 HJAB O=C1N[C@H](c2ccccc2Cl)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 4525609 CUQFOSGSPVKUHZ-FQEVSTJZSA-N 409.942 4.814 0 40 HJAB Cc1nc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c2c(C)c(C)sc2n1 5428957 FVRHRHLORAFHAW-GFCCVEGCSA-N 415.540 4.507 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 5443040 XXVPLKUJYUDJFY-UHFFFAOYSA-N 419.502 4.748 0 40 HJAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2C(C)C)n1C 6451810 ICXKSAAKUWYHHS-UHFFFAOYSA-N 410.543 4.557 0 40 HJAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)Nc1ncnc2scc(-c3ccccc3)c12 6927884 KLNYPDHOFXKIRH-LJQANCHMSA-N 414.490 4.947 0 40 HJAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2ccccc2s1 7217405 KGGHXGPRPKLWKX-CQSZACIVSA-N 412.458 4.841 0 40 HJAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c1C 8893081 XKNYOKTTXPKLKR-AWEZNQCLSA-N 424.526 4.819 0 40 HJAB CCC(=O)N1CCc2ccc(NC(=O)c3c(-c4ccccc4Cl)noc3C)cc2C1 9035288 PKLOUSBYRYJBET-UHFFFAOYSA-N 423.900 4.850 0 40 HJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)COc3ccccc3F)ccc1O2 9135410 AWVBUKDVWYQFPO-UHFFFAOYSA-N 406.413 4.534 0 40 HJAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2csc(-c3ccsc3)n2)C1=O 9366059 IJQUHIWXAWXRGD-QFIPXVFZSA-N 419.531 4.992 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1 9468403 BTQRSTHUWCFMDE-QHCPKHFHSA-N 403.457 4.744 0 40 HJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCCn1c(=O)oc2ccccc21 9813796 BSYCXHAYSZPORS-UHFFFAOYSA-N 424.884 4.947 0 40 HJAB CCOP(=O)(OCC)c1nc(/C=C/c2ccccc2)oc1NCc1cccnc1 12062867 BXKJYTSVRWVTNY-OUKQBFOZSA-N 413.414 4.744 0 40 HJAB Cc1ccc([C@H](C)C(=O)NCCn2ncc(-c3cc(C)no3)c2-c2cccs2)cc1 12258650 MJQRZHMXBFGEHH-KRWDZBQOSA-N 420.538 4.803 0 40 HJAB CN(C(=O)CSc1nncn1-c1ccccc1)C(c1ccccc1)c1ccccc1 12526729 QMZHDGGPKSOAGJ-UHFFFAOYSA-N 414.534 4.607 0 40 HJAB CC(=O)c1cccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)c1 12755675 MMJGUOJIJSJGCI-UHFFFAOYSA-N 403.360 4.529 0 40 HJAB Cc1ccc(Cl)c(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1Cl 12932274 ABHFCXVYSFIATB-OAHLLOKOSA-N 420.340 4.591 0 40 HJAB O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccc(Cl)cc2)s1 12972584 XSFMXDDLEVRMQT-DHDCSXOGSA-N 408.285 4.998 0 40 HJAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)NCc1cccs1 13163875 SDDQBBLEPJZHOB-ZDUSSCGKSA-N 423.567 4.620 0 40 HJAB Cc1nc(COc2ccccc2C(=O)N(C)Cc2nc3ccccc3s2)cs1 14023467 LTOVTZPMBMUFQZ-UHFFFAOYSA-N 409.536 4.912 0 40 HJAB COc1ccc(-c2noc(CSc3nnc(NC4CCCCC4)s3)n2)cc1 14115811 UUDXWUZFSMAHBB-UHFFFAOYSA-N 403.533 4.634 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)CCc2nc3cc(Cl)ccc3[nH]2)cc1OC 19560236 DJWHCUGAUREGJD-SFHVURJKSA-N 413.905 4.530 0 40 HJAB COc1ccc(C2(C(=O)N[C@@H](C)c3nc4ccccc4n3C(C)C)CCOCC2)cc1 19661490 ZUHOPJFJGYAAER-SFHVURJKSA-N 421.541 4.551 0 40 HJAB CC(=O)N[C@@H](CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1)c1cccs1 21309657 WRAIHIFOIMRUFC-FQEVSTJZSA-N 421.522 4.515 0 40 HJAB CC(=O)c1cccc(OCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)c1 21678149 AXMHJJVRFPVVTN-UHFFFAOYSA-N 407.510 4.859 0 40 HJAB O=C(c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)N1CCc2sccc2C1 22969499 HZIWJIVSUYKRSE-UHFFFAOYSA-N 411.836 4.805 0 40 HJAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 23030147 RXXCNHGNPLFONF-WOUKOJEXSA-N 409.574 4.652 0 40 HJAB Cc1cc(C(=O)Cn2cccc(C(F)(F)F)c2=O)c(C)n1[C@@H](C)c1ccccc1 27064178 YWJFPSLIRNKPID-HNNXBMFYSA-N 402.416 4.778 0 40 HJAB Cc1cc2oc(=O)cc(CN3CCC[C@@H](C(=O)Nc4ccccc4)C3)c2cc1Cl 27570112 MNVFCJNHJRJQLU-MRXNPFEDSA-N 410.901 4.606 0 40 HJAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3csc(-c4cccnc4)n3)c2)C1 27663281 PSOCBIHFIPHJAY-HOTGVXAUSA-N 413.568 4.539 0 40 HJAB CCOc1ccc2nc(NC(=O)c3cc(-c4ccc5c(c4)C[C@H](C)O5)on3)sc2c1 28286935 KHQCEXMBNLJCGI-LBPRGKRZSA-N 421.478 4.926 0 40 HJAB CCOc1ncccc1NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C 32246465 QBTCXHGGZZMTLM-UHFFFAOYSA-N 419.312 4.771 0 40 HJAB Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@H](c1ccccc1Cl)N(C)C 40103839 DUAWVWQHYQQSEM-OAQYLSRUSA-N 400.954 4.673 0 40 HJAB CCOc1ccc(CCC(=O)NCCSCc2ccccc2C)cc1OCC 44840572 OYTVIEIRYYKLED-UHFFFAOYSA-N 401.572 4.775 0 40 HJAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)C1 45887709 HGJAGDHXBNKMAB-GFCCVEGCSA-N 419.264 4.718 0 40 HJAB COc1cccc(NC(=O)COc2ccccc2-c2nc(-c3ccc(C)cc3)no2)c1 46012148 VILFEZFMJKCEBA-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB O=C(c1ccnc(Cl)c1)N(Cc1ccccn1)c1ccc(Br)cc1 48276751 WKRKUWZXISPNAO-UHFFFAOYSA-N 402.679 4.740 0 40 HJAB COc1ccc(-c2nnc([C@H]3CCN(Cc4ccc(-c5ccccn5)cc4)C3)o2)cc1 49170166 RVSUKVKZRLGCQK-NRFANRHFSA-N 412.493 4.797 0 40 HJAB biogenic,in-vitro COC(=O)c1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc23)cc1 64472010 YSVICIVJLPJIHP-UHFFFAOYSA-N 409.873 4.654 0 40 HJAB O=C(NCCCC(=O)N1CCC[C@H]1Cc1cccc2ccccc12)c1ccsc1 69927357 OWEMQZMNLHGIII-NRFANRHFSA-N 406.551 4.645 0 40 HJAB Cc1n[nH]c(=O)c(C(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)c1C 84052082 OYKPCVVAPPBMFQ-UHFFFAOYSA-N 422.243 4.877 0 40 HJAB NC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 95465135 QBIWZEGHVKJQOR-HOTGVXAUSA-N 411.893 4.619 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1-c1cc(OC)c(OC)cc1C2 95476495 IOWCDYLXOAMQTB-UHFFFAOYSA-N 423.490 4.766 0 40 HJAB CSc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1 96117741 ICPMPYFLXGEICV-RHSMWYFYSA-N 403.573 4.915 0 40 HJAB O=C(NCCc1ccncc1)c1cc2ccc(-c3ccccc3)cn2c1-c1cocn1 96155526 FQZSHMORLZHFMS-UHFFFAOYSA-N 408.461 4.629 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H](C)c3ccccc3)CC2)on1 100743627 YYUAPBLPRRPGSO-HFSMHLIXSA-N 418.541 4.942 0 40 HJAB CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 123201704 YFQHKGUJGTVODY-YQIQUQRPSA-N 418.574 4.708 0 40 HJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC[C@H]2c2cccs2)nc1 206473289 MDXYIXQKRQDMAW-IBGZPJMESA-N 413.568 4.700 0 40 HJAB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(O)c(Br)c3)C2=O)cc1 214505883 RVDVAGBQMLPFQJ-CXUHLZMHSA-N 404.285 4.700 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 222455554 WVJVOTMZNNCIQN-HSZRJFAPSA-N 424.585 4.829 0 40 HJAB C[C@H](NC(=O)c1ccccc1NC(=O)COc1cccc(Cl)c1)c1ccccc1 222766106 LMDFSNXDZOSKGT-INIZCTEOSA-N 408.885 4.849 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 223222112 RDSXQKWQZGCPIT-QFIPXVFZSA-N 424.585 4.713 0 40 HJAB Cc1cc(C(=O)NCCC2CCCCCC2)ccc1NS(=O)(=O)c1ccccc1 223999729 JYLJGKSAXYFQSV-UHFFFAOYSA-N 414.571 4.886 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 224280600 DFFCVUJXEAWODS-XMMPIXPASA-N 422.569 4.548 0 40 HJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)c(OC)c1 224797004 XYKXVPOEVSGXDN-FCHUYYIVSA-N 422.554 4.658 0 40 HJAB O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Br)c1ccccc1 226287846 VEJVJDPKVQTSTK-UHFFFAOYSA-N 407.267 4.862 0 40 HJAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3C)CC2)on1 257340525 ZGODBYAMLAUZPF-LEUOFYLZSA-N 410.562 4.784 0 40 HJAB O=C(C[C@H](c1ccsc1)n1cccc1)NCCCCCc1nc2ccccc2[nH]1 524735179 CMBYLNQBUYTQOZ-OAQYLSRUSA-N 406.555 4.935 0 40 HJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 613377825 VSTZEPDRIZFBNT-DLBZAZTESA-N 420.384 4.629 0 40 HJAB CC(C)c1ccc2c(c1)Cc1cccc(c1)CN(C1CCN(C)CC1)CCOCCO2 643566443 QPAQTDTZRGSMOQ-UHFFFAOYSA-N 422.613 4.706 0 40 HJAB O=S(=O)(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cnc(-c2ccccc2)s1 1561506736 DYCUJDYYPMUCBG-JCNLHEQBSA-N 404.944 4.688 0 40 HJAB COc1c(C)cccc1C(=O)NC(=S)Nc1nc2cc(Cl)c(C)cc2s1 623540 YZEWIQBIEQALBC-UHFFFAOYSA-N 405.932 4.702 0 40 HJAB C[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 825715 WJJLJYVRHMKFPI-IQGLISFBSA-N 416.546 4.952 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)C[C@H](C)CC5)c1 929545 KRVPXTFCFYNXJL-CYBMUJFWSA-N 423.567 4.503 0 40 HJAB CCOc1cc(Cn2c(-c3ccc(O)c(OCC)c3)nc3ccccc32)ccc1O 1250418 XQDLZTHUOJVLNA-UHFFFAOYSA-N 404.466 4.960 0 40 HJAB O=C(CSc1nc(C(F)(F)F)cc(=O)n1-c1ccccc1)c1ccc(Cl)cc1 1394865 JWYMMQHGCPVMQC-UHFFFAOYSA-N 424.831 4.880 0 40 HJAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1C 2420675 KKRTVTKUOKKZOY-UHFFFAOYSA-N 410.524 4.853 0 40 HJAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1cccc(Br)c1 3219307 PJZPEWLZJCZATB-UHFFFAOYSA-N 424.294 4.763 0 40 HJAB Cc1ccc(C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccc(C)cc2C)cc1 3223806 WXPCUWZUOBBRBH-UHFFFAOYSA-N 412.489 4.555 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 3276207 VHLLNJMKGAKIDO-UHFFFAOYSA-N 407.853 4.675 0 40 HJAB CSc1ccc(Cl)c(C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 3316869 OYYMRQJGQMMPQH-UHFFFAOYSA-N 420.943 4.596 0 40 HJAB C[C@@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)Nc1ccc2c(c1)OCO2 3458365 ZLUXNBOBOYZVIX-MRVPVSSYSA-N 416.644 4.560 0 40 HJAB CCCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)cc1 4816786 LEOMQMKFSSWYCJ-WOJBJXKFSA-N 410.905 4.808 0 40 HJAB COCCN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)Nc1cccc(OC)c1 4880623 AQEJSFWQITZHPP-UHFFFAOYSA-N 413.905 4.886 0 40 HJAB Cc1ccc(-c2noc(CN(C(=O)COc3cc(C)cc(C)c3C)C(C)C)n2)cc1 6737000 BZSGKFDXUSCFOV-UHFFFAOYSA-N 407.514 4.786 0 40 HJAB CN1C(=O)Cc2cc(C(=O)CSc3nc4ccccc4n3-c3ccccc3)ccc21 7064161 HOCYCQFXLSWETI-UHFFFAOYSA-N 413.502 4.519 0 40 HJAB COc1cccc(-c2ccc3nnc(SCc4c(F)cccc4Cl)n3n2)c1 7510125 PJXVTIIKNLZRNM-UHFFFAOYSA-N 400.866 4.885 0 40 HJAB CCOc1c(Br)cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC 7886312 ODIQBNODOCEJHH-IBGZPJMESA-N 417.303 4.585 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)CC(=O)N(c1ccccc1)C1CCCCC1 8092636 VIRBDAMQLLGFFU-UHFFFAOYSA-N 407.558 4.540 0 40 HJAB C[C@@H](C(=O)O)N1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O 8220395 JWEROVQUXOREET-ITTMYVLYSA-N 409.872 4.594 0 40 HJAB C[C@@H]1CCc2c(sc3ncnc(N4CCC[C@H](c5nnc6n5CCCCC6)C4)c23)C1 9114252 QUOWRXJZZDSSFE-CVEARBPZSA-N 422.602 4.518 0 40 HJAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1ccc(Cl)c(Cl)c1 9436181 KPDRQRNTLSLJGP-UHFFFAOYSA-N 421.236 4.532 0 40 HJAB COc1ccccc1N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccs1 9463516 VXBFUCMNZFCIIB-UHFFFAOYSA-N 404.491 4.754 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 9740551 QEPMWYSKUPWDNR-HSZRJFAPSA-N 416.456 4.988 0 40 HJAB Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccncc1)O2 10215170 SXCXSEUNERFHMP-XMSQKQJNSA-N 405.841 4.706 0 40 HJAB CCn1/c(=N\C(=O)c2ccc(Br)s2)sc2cccc(Cl)c21 12180923 PDMXOUVDQUFAFM-SAPNQHFASA-N 401.738 4.941 0 40 HJAB Cc1cccc(N2CCN(Cn3nc(/C=C/c4ccccc4)[nH]c3=S)CC2)c1C 12544053 HQSYBJICFKITPP-VAWYXSNFSA-N 405.571 4.508 0 40 HJAB COc1ccc(C)cc1-n1nnnc1S[C@@H](C)c1nc2ccccc2n1C(F)F 12884203 XMOVTJAPWBOWSJ-LBPRGKRZSA-N 416.457 4.577 0 40 HJAB O=C(OCC(=O)c1ccc2c(c1)OCCO2)/C(=C/c1ccc(F)cc1)c1cccs1 13059252 IZYKCHONIJHDGG-LDADJPATSA-N 424.449 4.625 0 40 HJAB COc1ccc(CNC(=O)CCCCCNc2nc(=S)[nH]c3ccccc23)cc1 13496854 XFZULAAKMPJGHT-UHFFFAOYSA-N 410.543 4.590 0 40 HJAB C[C@H](NC(=O)C(Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 13509959 ZJWXXRKVVWUDSC-VXMMSVGHSA-N 400.522 4.600 0 40 HJAB O=C(Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1)NCc1cccs1 13716628 GGOUYDFVWAVPTN-UHFFFAOYSA-N 402.878 4.652 0 40 HJAB C[C@@H](c1ccco1)N(C(=O)CN1CCC(Cc2ccccc2)CC1)c1ccccn1 14093933 OSLPUQRNXSUNEZ-FQEVSTJZSA-N 403.526 4.724 0 40 HJAB COc1ccccc1[C@@H](CCNc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 16228402 FBCJARMQMWDXIY-SFHVURJKSA-N 405.450 4.787 0 40 HJAB CCCn1c(=O)n(CCC(=O)Nc2ccccc2SC(F)F)c2ccccc21 16700210 BVWBHURKHDKRMR-UHFFFAOYSA-N 405.470 4.557 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCO[C@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19692529 SXSNEERQOXVPRV-QFIPXVFZSA-N 410.876 4.684 0 40 HJAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 20460223 LGHHVYQOAKCBEF-UHFFFAOYSA-N 416.886 4.756 0 40 HJAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN(Cc2cccs2)C4)cc1 20676920 REOLIHZPLJLKDU-UHFFFAOYSA-N 405.475 4.882 0 40 HJAB biogenic COc1ccccc1CNC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(C)c1 21362302 QJBARFQRRVAZGA-UHFFFAOYSA-N 413.477 4.667 0 40 HJAB COc1cc(C(=O)Nc2nc3c(C)cccc3s2)cc(OC)c1Br 21589521 NMYGIVRFWNLJRD-UHFFFAOYSA-N 407.289 4.637 0 40 HJAB Cc1cc(C(=O)CSc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)c(C)[nH]1 22416747 APKYHOYTWSUPDK-UHFFFAOYSA-N 413.499 4.711 0 40 HJAB Cc1sc2nc(CSc3nccn3-c3cccc(Cl)c3)[nH]c(=O)c2c1C 23294288 LWNOEMKUWMCRDL-UHFFFAOYSA-N 402.932 4.733 0 40 HJAB C[C@H](Sc1nnc(C2CCCCC2)o1)C(=O)N(C)CCOc1ccc(Cl)cc1 24110623 UTELWMHAVAOPKD-AWEZNQCLSA-N 423.966 4.789 0 40 HJAB C[C@@H](Nc1ccccc1C(=O)NCc1ccco1)C(=O)Nc1cccc2ccccc12 24760621 APTAVVXPAXZPHA-QGZVFWFLSA-N 413.477 4.802 0 40 HJAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c1 30943501 WWPBSJKBNKOATH-OAHLLOKOSA-N 420.340 4.803 0 40 HJAB O=C(NCCCn1cnc2ccccc21)N[C@@H](c1ccc(F)cc1)c1cccs1 32794893 WSGYCHUYALZGEU-NRFANRHFSA-N 408.502 4.716 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 35083546 WWJTXTCUTDBECO-QMBPOEKNSA-N 423.041 4.609 0 40 HJAB Cc1csc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)n1 44815876 DITNEZYUQFHJJD-UHFFFAOYSA-N 408.252 4.793 0 40 HJAB Cc1ccc(-c2nnc(CCC(=O)N[C@@H]3CCSc4ccc(Cl)cc43)o2)cc1 48237562 JODKSSKMRNPSKP-QGZVFWFLSA-N 413.930 4.984 0 40 HJAB C[C@@H](c1ccccc1Cl)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 58439318 RRGVEQYMUFPBGI-LBPRGKRZSA-N 401.311 4.831 0 40 HJAB COc1ccccc1Cn1c(SCc2ccc(F)cc2)nc2ccccc2c1=O 67258442 MNFHPZYXTCMQKR-UHFFFAOYSA-N 406.482 4.885 0 40 HJAB COc1ccc(-n2c(SCc3ccccc3)nc3ccccc3c2=O)c(OC)c1 67258879 NNZMJBXMXFKZEO-UHFFFAOYSA-N 404.491 4.695 0 40 HJAB CCN1c2ccccc2-c2nc(SCc3ccc(Cl)cc3)ncc2S1(=O)=O 67260070 UTFXBSGKPCXWLU-UHFFFAOYSA-N 417.943 4.618 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nccn2nc(-c3cccs3)cc12 67290117 TYPAECWOODASCF-UHFFFAOYSA-N 410.524 4.587 0 40 HJAB CC(C)(C)OC(=O)NC1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 71968444 SWSKWOVSWZNISA-UHFFFAOYSA-N 404.514 4.790 0 40 HJAB COc1cccc(CN2CC=CC[C@H](C3CCN(Cc4ccccc4)CC3)C2=O)c1 72371049 XAPIRXWUEPGRBN-RUZDIDTESA-N 404.554 4.512 0 40 HJAB COc1ccccc1-c1csc(NC(=O)c2sc(-c3cccnc3)nc2C)n1 72390367 KTEICEZEOFQBNT-UHFFFAOYSA-N 408.508 4.898 0 40 HJAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccccn2)nc2ccccc12 72400381 KJPLOIPINDTYTR-UHFFFAOYSA-N 412.449 4.516 0 40 HJAB C[C@H](NC(=O)C(C)(C)[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccccn1 95451132 BYDAIOVNWBDQOR-FDDCHVKYSA-N 404.510 4.598 0 40 HJAB CC(C)c1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5cncnc5)cn34)n2)cc1 96155470 BTJNJODJSQBLAH-UHFFFAOYSA-N 422.492 4.958 0 40 HJAB S=C(Nc1ccccc1Cl)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 100762887 KEATZXBGXZSMPR-DEPWHIHDSA-N 402.007 4.932 0 40 HJAB biogenic CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)s1 102341924 JDNUHGUKYOZZEW-LSOMNZGLSA-N 424.522 4.585 0 40 HJAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc4c(c3)OCO4)c3ccccc3C2=O)cc1C 102574111 ZOTGZILUJKHCTL-BKUYFWCQSA-N 412.445 4.672 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1O 208500316 FOGLJUBEGBRTGF-GDNBJRDFSA-N 420.284 4.794 0 40 HJAB CCOc1ccccc1NC(=O)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 219243822 DGINYDBYUPITSB-HXUWFJFHSA-N 400.500 4.526 0 40 HJAB Cc1cccc(N([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)c1 220136776 DHRJBJYFAKMKKG-SFHVURJKSA-N 424.522 4.581 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 223545070 PKQAWXRANKDHTH-KRWDZBQOSA-N 417.918 4.972 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 224052232 VBPOYBVUAPNMPG-GOSISDBHSA-N 414.977 4.831 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)cc1 224237526 CDYZJMXMVBRLPM-UHFFFAOYSA-N 420.962 4.536 0 40 HJAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCN(Cc2ccccc2)CC1 224327409 JLQCBSUCJKFBKK-UHFFFAOYSA-N 412.946 4.709 0 40 HJAB O=S(=O)(Nc1nnc(SCc2ccccc2)s1)c1ccc2ccccc2c1 224771028 XHDPARABAPEVNT-UHFFFAOYSA-N 413.549 4.784 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1CN1CCCCC1 224836885 FPKUJEPGQBJETA-OAQYLSRUSA-N 400.950 4.800 0 40 HJAB CC(C)c1cc(C(=O)N2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)[nH]n1 257200751 AETJHYAEYNXCCE-PGRDOPGGSA-N 423.557 4.704 0 40 HJAB COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CC(C)C)c1OC 257264963 LWSOOQOZAKVDAP-HQACLXBPSA-N 415.574 4.749 0 40 HJAB COc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)c2ccccc2OC)cc1 408628090 SYPPRUYRYBHGQR-UHFFFAOYSA-N 417.914 4.753 0 40 HJAB Cc1cc(C)c(C)c(OCC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1 408714639 TWKSMURANUEEKQ-UHFFFAOYSA-N 421.541 4.997 0 40 HJAB C[C@@H](Cn1ccnc1)NC(=O)NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 510286284 DDTFOUCRHBWLHT-HNNXBMFYSA-N 418.419 4.582 0 40 HJAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)NC4CCN(C)CC4)CCOCC3)cc2)c1 643551144 YHBRFKGGYJUWKH-UHFFFAOYSA-N 420.597 4.520 0 40 HJAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cc(Cl)ccc3O)c2c1 955761 PVCMTIFIELYDRI-UHFFFAOYSA-N 414.845 4.691 0 40 HJAB S=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCSCC1 1162064 VBGURPRIFWSXMX-UHFFFAOYSA-N 422.535 4.895 0 40 HJAB COc1cccc(NC(=O)COc2ccc(-c3nccc(-c4cccs4)n3)cc2)c1 1383626 LOPLXQLMADGJSZ-UHFFFAOYSA-N 417.490 4.898 0 40 HJAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccco1 2375211 PGEBDPOKVRXSJB-UHFFFAOYSA-N 409.492 4.692 0 40 HJAB COc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)c1 2703667 RSYRVCLUCRXFIO-QFIPXVFZSA-N 412.445 4.563 0 40 HJAB O=C(O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)cc1Cl 3200097 HCYZZYSWBCKMOZ-UHFFFAOYSA-N 414.188 4.511 0 40 HJAB O=C(Cc1ccc(Cl)cc1Cl)OCC(=O)N1CCC(Cc2ccccc2)CC1 3242291 FTECXUZSDFBAQW-UHFFFAOYSA-N 420.336 4.560 0 40 HJAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc2c(c1)OCO2 3428081 BUUYJEWCWICTHU-LJQANCHMSA-N 422.868 4.569 0 40 HJAB aggregator COc1ccc(CCn2c(=S)[nH]c3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 3886690 HHRDLHJFYAYKQB-LBPRGKRZSA-N 416.568 4.505 0 40 HJAB Cc1ccc(C(=O)Nc2c(C(=O)Nc3ccccc3F)cnn2-c2ccccc2)cc1 4618880 URJJRRVRCRIVBA-UHFFFAOYSA-N 414.440 4.824 0 40 HJAB CCOc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccccc2)cc1 4937729 LODAMPUNIDJWGY-VHXPQNKSSA-N 405.475 4.897 0 40 HJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1cc(C)cc(C)c1 4973298 FTJARRFPRBFRSZ-UHFFFAOYSA-N 403.438 4.533 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2cccc(Cl)c2)c1 5259079 WWRXOARPMALRMX-UHFFFAOYSA-N 407.832 4.739 0 40 HJAB CC(=O)c1ccc(Oc2cc(-n3ncc(C(C)=O)c3C)nc(-c3ccccc3)n2)cc1 5429167 OZGYIKHMISDXOU-UHFFFAOYSA-N 412.449 4.835 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1c(C)cccc1C(C)C 5443068 IHFVYWQWRNDIMK-UHFFFAOYSA-N 414.571 4.854 0 40 HJAB Cc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(=O)CSc1ncn[nH]1 5519131 PVFJSNXUEWVSQU-QHCPKHFHSA-N 406.555 4.727 0 40 HJAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CCN1CCC(C)CC1 5753259 GYBXFCGHBZTKTN-UHFFFAOYSA-N 418.534 4.791 0 40 HJAB Cc1nc(SCC(=O)Nc2cccnc2Cl)c2c3c(sc2n1)CCCC3 6113637 DTSMXAWQKDRAQF-UHFFFAOYSA-N 404.948 4.658 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)c1 6333411 OFVPZZGAMYNESS-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1C 6471433 INWBVLCHEZWMLW-UHFFFAOYSA-N 412.902 4.921 0 40 HJAB O=C(NC(=S)Nc1ccc(CN2CCCC2)cc1)c1ccc(Cl)cc1Cl 6548105 PVEJLKHYUKGULJ-UHFFFAOYSA-N 408.354 4.716 0 40 HJAB Cc1cc(C)cc(-c2nnc(SCc3nc4c(oc5ccccc54)c(=O)[nH]3)o2)c1 6654228 YVILVHUUPWMMHR-UHFFFAOYSA-N 404.451 4.628 0 40 HJAB Cc1ccc(COc2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 6672613 WNVRSGIBGKOURH-LPYMAVHISA-N 406.398 4.836 0 40 HJAB Nc1ccccc1C(=O)OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6971665 KZXUITZJGWZXJD-UHFFFAOYSA-N 404.510 4.532 0 40 HJAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(NC(=O)c2cccs2)cc1 7123573 WNEYAFWVIOZWDJ-UHFFFAOYSA-N 411.870 4.659 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 7157671 QQOQGYXJCRJICJ-GJZGRUSLSA-N 418.896 4.900 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1 8434546 HUTACWMLYZALOA-UHFFFAOYSA-N 408.841 4.851 0 40 HJAB COc1cc(CNCc2ccc(C(=O)O)cc2)ccc1OCc1cccc(Cl)c1 8471934 BKCYSJDZEDOJBJ-UHFFFAOYSA-N 411.885 4.916 0 40 HJAB Cc1ccnc(NC(=O)COc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2)c1 8993208 JJBHASBDFMHANN-UHFFFAOYSA-N 416.433 4.615 0 40 HJAB O=C(Oc1ccc2ccccc2c1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 9425847 PJCIQZXXUJRMNM-DEOSSOPVSA-N 421.452 4.653 0 40 HJAB CCCCc1ccc(NC(=O)c2cn(CC)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 9661436 MVEXCGWTNSCIIH-UHFFFAOYSA-N 414.509 4.754 0 40 HJAB Cc1ccccc1-n1cnnc1SCC(=O)N(Cc1ccco1)C1=CCCCC1 9864394 IUJDRQPQLTWSEY-UHFFFAOYSA-N 408.527 4.748 0 40 HJAB Cc1sc2ncn(CC(=O)Nc3ccccc3Sc3ccccc3)c(=O)c2c1C 9882893 UIZSVOLPPUMEQK-UHFFFAOYSA-N 421.547 4.865 0 40 HJAB Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2ccc(O)nc2)cc1C 9919378 AKVSKRRLPWQRIA-UHFFFAOYSA-N 412.493 4.529 0 40 HJAB Cc1cc(C)cc(NC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)c1 10338808 DAYXESHKUAKQDB-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB COc1cc(OC)c(C2=CCN(C(=O)c3oc4ccccc4c3C)CC2)c(OC)c1 11918279 HDAXYCPZZZRDJQ-UHFFFAOYSA-N 407.466 4.697 0 40 HJAB COc1cccc(-c2nc(C)c(C(=O)NCCc3c[nH]c4ccc(F)cc34)s2)c1 13688309 WEOQZVZMMSWIQL-UHFFFAOYSA-N 409.486 4.720 0 40 HJAB O=c1n(Cc2ccccc2Cl)c2sc3c(c2c2nc(-c4ccco4)nn12)CCC3 13692899 YPMJISMKLCUXDQ-UHFFFAOYSA-N 422.897 4.556 0 40 HJAB O=C(Cc1ccccc1F)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 14367066 IRRNZWOXYQIEJW-UHFFFAOYSA-N 406.335 4.871 0 40 HJAB O=C(Nc1ccc(CCN2CCCCCC2)cc1)c1cccc(Cn2ccnc2)c1 19293293 QWJFIKNIPIVCHJ-UHFFFAOYSA-N 402.542 4.602 0 40 HJAB CCCc1ncc(-c2cc(C)no2)c([C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)n1 19525550 NVLBHJNRFTYJLZ-FQEVSTJZSA-N 422.504 4.828 0 40 HJAB CCCn1c(CN2CCc3onc(Nc4cccc(F)c4)c3C2)nc2ccccc21 19526017 PYEDWRUSFKZWHJ-UHFFFAOYSA-N 405.477 4.875 0 40 HJAB CC(=O)c1sc(-c2nnn(-c3ccc(OCc4ccccc4)cc3)c2C)nc1C 21147642 XHIKMMCSRMKLTN-UHFFFAOYSA-N 404.495 4.789 0 40 HJAB COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(Cl)ccc1N1CCCCC1 23130360 UIXVCYMUJOPJOS-UHFFFAOYSA-N 400.906 4.723 0 40 HJAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 24834240 PKEDXGIKMFVQDI-UHFFFAOYSA-N 414.552 4.898 0 40 HJAB CN1CCN(C2=C(C(=O)Nc3ccc(Cl)cc3)CC/C2=C\c2ccccc2)CC1 25398060 MYWGBDYPKKAQEF-HTXNQAPBSA-N 407.945 4.657 0 40 HJAB COC(=O)c1c(NC(=O)COc2ccccc2C(C)C)sc2c1CC[C@H](C)C2 28284608 NSAUCZISKPSNNR-AWEZNQCLSA-N 401.528 4.800 0 40 HJAB Cc1sc2c(c1C)c1nc(-c3ccccc3)nn1c(=O)n2CCc1ccccc1 32103087 FNHJNDZRPOOXMB-UHFFFAOYSA-N 400.507 4.632 0 40 HJAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1cc(F)cc(F)c1 40050334 SDVPJNHYTHGMRY-UHFFFAOYSA-N 420.459 4.684 0 40 HJAB Cc1noc(CSc2ccccc2C(=O)NCc2cccc(C(F)(F)F)c2)n1 40050849 CHDQPXBBKQXAQC-UHFFFAOYSA-N 407.417 4.619 0 40 HJAB O=C(Nc1ccccc1I)c1cnc(-c2ccccc2)s1 40128175 VLEHSUKRJIJARH-UHFFFAOYSA-N 406.248 4.667 0 40 HJAB Cc1c(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)oc2c1C(=O)CCC2 40134192 QYBICUWHSXZIJS-MRXNPFEDSA-N 404.466 4.572 0 40 HJAB CCOC(=O)c1cc(NC(=O)C2CCN(Cc3ccccc3C)CC2)ccc1Cl 44939631 MEIBVRZWBIKRFR-UHFFFAOYSA-N 414.933 4.676 0 40 HJAB O=C(c1sc2cc(Cl)cc(Cl)c2c1Cl)N1CCN(C(=O)C2CC2)CC1 48332930 IJWNPVOERXGUQK-UHFFFAOYSA-N 417.745 4.556 0 40 HJAB Cc1ccc(-c2c[nH]c3c(SCC(=O)Nc4cc(F)ccc4F)ncnc23)cc1 48990111 IIKBOBXJVXVLPX-UHFFFAOYSA-N 410.449 4.942 0 40 HJAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN[C@H](C)c1ccc(-c2ccccc2)cc1 57383332 KQUYWZLZXOKZBO-RBUKOAKNSA-N 413.521 4.768 0 40 HJAB CCOc1cccc(CNC[C@@](C)(O)C(c2ccccc2)c2ccccc2)c1OC 72289922 PGTQVTOEWVUNPE-AREMUKBSSA-N 405.538 4.767 0 40 HJAB COc1ccc(CC(=O)O[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 72307902 HZDJQRUZRAFAQN-OAQYLSRUSA-N 418.415 4.887 0 40 HJAB Cc1cccc(-c2nc(CC(=O)N[C@H](C)[C@H](O)c3c(F)cccc3Cl)cs2)c1 72311625 XTBCRMXRNJWDGK-XCLFUZPHSA-N 418.921 4.692 0 40 HJAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 77200127 HRQSPBRBXCQAJH-ZWKOTPCHSA-N 406.404 4.995 0 40 HJAB Clc1ccc2[nH]c([C@H]3CCCN3c3nc(-c4ccccn4)nc4c3CCC4)nc2c1 79061772 PRMRDTBDRZSMQG-HXUWFJFHSA-N 416.916 4.899 0 40 HJAB COc1ccc(Cc2nc3ccccc3n2C[C@@H](O)COc2ccc(Cl)cc2)cc1 82087050 DDXLPMMTMZJAOA-LJQANCHMSA-N 422.912 4.729 0 40 HJAB Cc1ccc(C2=NN(C(=O)CN(Cc3cccnc3)C(C)C)[C@@H](c3ccco3)C2)cc1 95446674 OAKMMABSBYWIBY-HSZRJFAPSA-N 416.525 4.571 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 222401951 COSYEDSFRVNBRT-ILXVDBEPSA-N 406.452 4.947 0 40 HJAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 223418878 HCHRLDQXBKZDJV-JOCHJYFZSA-N 424.928 4.975 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccccc1 224113913 IKKKUIBFWIBSLJ-QHCPKHFHSA-N 424.610 4.786 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 224813445 WJQKNQSKRMWMFQ-KRWDZBQOSA-N 418.990 4.684 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 225525101 CMXSDGNYKHBSMZ-GMAHTHKFSA-N 424.585 4.713 0 40 HJAB CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C(=O)OCC 225831941 OGECNACAGFGAIG-UZUQRXQVSA-N 405.535 4.966 0 40 HJAB CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)c2ccccc12 225926663 YODNQEUFXILKIM-UHFFFAOYSA-N 406.526 4.750 0 40 HJAB COc1ccccc1CN(CC(=O)O)C(=O)c1ccccc1Oc1ccc(C)cc1 257319090 VQSCXKPPRQGUDA-UHFFFAOYSA-N 405.450 4.523 0 40 HJAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CN(C(=O)c3ccccc3)CCO2)n1 257331743 XUBMHGCAFXQAEL-QHCPKHFHSA-N 406.913 4.848 0 40 HJAB CSc1nc(N2CCCCC2)c2cc(C(=O)N3CCc4ccccc4C3)sc2n1 408636131 LMDBKOHQRJKTPX-UHFFFAOYSA-N 424.595 4.602 0 40 HJAB C[C@]1(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)o2)C[C@H]2C=C[C@H]1C2 408710488 VOGUKNLUYHGGMR-IIOOSLMMSA-N 414.465 4.530 0 40 HJAB Cc1ccc(C)c(NC(=O)CN2CCC[C@H]2Cc2c(C(=O)O)sc3ccccc23)c1 585266038 NSNJHNHIFUGXDV-KRWDZBQOSA-N 422.550 4.862 0 40 HJAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccccc1Cl 684340 PWUUUTLIPYBAAY-IBGZPJMESA-N 412.902 4.748 0 40 HJAB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)CCC)cc3n2)cc1 1903796 IWKPSJOKFBXJKX-UHFFFAOYSA-N 409.559 4.685 0 40 HJAB O=C1S/C(=C\c2ccccc2Br)C(=O)N1CNc1ccccc1F 2120290 KJLNIPOKDRVXTL-DHDCSXOGSA-N 407.264 4.694 0 40 HJAB Cc1ccccc1-n1c(S[C@@H]2CCOC2=O)nnc1-c1ccc(C(C)(C)C)cc1 3341040 YSEWGSKLPKFAOT-LJQANCHMSA-N 407.539 4.948 0 40 HJAB CC(C)CNC(=O)COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 4798403 BKWZKPXGYSFNHW-UHFFFAOYSA-N 414.552 4.518 0 40 HJAB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1ccc(OC)cc1OC 4849347 CZVDEXVPZWCGTK-UHFFFAOYSA-N 412.511 4.554 0 40 HJAB CCOCCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccccc1C 4861265 OZYLGMYFZCJVMM-UHFFFAOYSA-N 421.541 4.914 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccc1OC 5478076 DIDNAQQYYUXXPB-UHFFFAOYSA-N 416.934 4.666 0 40 HJAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1 5634461 PLKYSLOFCUEQPD-UHFFFAOYSA-N 414.914 4.510 0 40 HJAB Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 5740358 YNLPVIOYDLWFRS-GFCCVEGCSA-N 402.422 4.581 0 40 HJAB Cc1nc(-c2c(C(F)(F)F)oc3c(Br)c(O)ccc3c2=O)cs1 5753159 SRDYSVCDNZFGKZ-UHFFFAOYSA-N 406.179 4.712 0 40 HJAB CCCCN(C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O)c1ccccc1 7570662 YGSHCWMKMOTBDI-UHFFFAOYSA-N 411.505 4.892 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 8074050 ZDTCOYRLNAKBSP-MGPUTAFESA-N 410.539 4.885 0 40 HJAB O=c1c(=O)n(Cc2cccc(Cl)c2)c2cc(Cl)ccc2n1Cc1ccccc1 8278920 TZXILQVJRQJKAN-UHFFFAOYSA-N 411.288 4.567 0 40 HJAB Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)Nc2cccc3ccccc23)c1 8417640 LGZVNBBKNJAPJJ-UHFFFAOYSA-N 418.493 4.747 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1 8427953 VBIHQMONPMSROS-GFCCVEGCSA-N 415.902 4.828 0 40 HJAB COc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(Cl)cc2)cc1 8476313 RUPIENIUWFPHTR-UHFFFAOYSA-N 410.905 4.659 0 40 HJAB CC(C)Cn1c(Cn2cccn2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 9355209 ZRZAHJSJDUPLMJ-UHFFFAOYSA-N 407.905 4.843 0 40 HJAB COc1cccc(NC(=O)[C@@H](Nc2cccc(N3CCCC3=O)c2)c2ccccc2)c1 9547875 LBZCOYNCPBZRCT-DEOSSOPVSA-N 415.493 4.614 0 40 HJAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)c(C)c1 10325139 KSOYZYQNPCBSRI-GOSISDBHSA-N 420.534 4.696 0 40 HJAB O=C(NCCOc1ccc(-c2cccs2)nn1)Nc1ccc(Cl)cc1Cl 11694493 AVIVSSBMTIFICM-UHFFFAOYSA-N 409.298 4.712 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(-c3ccc4nnc(-c5ccncc5)n4n3)c2)cc1C 12237551 NQHXEFZWDSWOTE-UHFFFAOYSA-N 420.476 4.722 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)[C@H]1CCCN1C(=O)c1ccccc1 12770136 VDFVWTBOXZXCMN-OAQYLSRUSA-N 417.534 4.542 0 40 HJAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 12908570 FEUHGTJLHAIDIF-CQSZACIVSA-N 400.400 4.545 0 40 HJAB Cc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)Nc1ccccc1F 12978681 TWJSRMMKXSTOID-UHFFFAOYSA-N 423.469 4.669 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2Cl)c1 14155580 ZVDJVAGYSIMPRZ-UHFFFAOYSA-N 420.962 4.630 0 40 HJAB O=C(NC1CC1)[C@H](Sc1nnc(Nc2ccc(F)cc2)s1)c1ccccc1 14198392 LCQCITDNJQALFB-MRXNPFEDSA-N 400.504 4.533 0 40 HJAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1Cl 14785116 XDFRXPDTLPUSOS-UHFFFAOYSA-N 416.102 4.515 0 40 HJAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Nc1ccc(Cl)cc1 16688144 SXWNCPMYINMYHE-UHFFFAOYSA-N 419.909 4.618 0 40 HJAB CC(=O)N1N=C(c2cccs2)Sc2c1nc(-c1ccc(Cl)cc1)n2C(C)=O 16777710 AYBZGGJQCUZINT-UHFFFAOYSA-N 416.915 4.746 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2nn(CC(C)C)c3nc4ccc(C)cc4cc23)cc1 16993916 MWRZMGJDMQSBPK-UHFFFAOYSA-N 408.527 4.658 0 40 HJAB CCOc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 17087372 FFUARSKLXIPOPM-UHFFFAOYSA-N 406.507 4.791 0 40 HJAB Clc1ccc(Cl)c(OCc2cccc(-c3nc4c5cn[nH]c5ncn4n3)c2)c1 17088752 YZIGZEWUCXVILQ-UHFFFAOYSA-N 411.252 4.553 0 40 HJAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 18195571 QNNHWMHBWTXEDI-KROKWJMESA-N 403.522 4.580 0 40 HJAB Cc1ccc(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3ccncc3)CC2)s1 19216863 BUSYKMRKCPNVHQ-UHFFFAOYSA-N 421.570 4.749 0 40 HJAB CCCC(=O)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19501306 HTOWICCHFQAODW-GOSISDBHSA-N 419.504 4.927 0 40 HJAB COc1ccc2nc(S[C@@H](C(=O)NCc3ccc(F)cc3)c3ccccc3)[nH]c2c1 19926660 JBSLKKOHUWCPQG-OAQYLSRUSA-N 421.497 4.860 0 40 HJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1C 20450268 DUWBNDLQFCJIHM-HXUWFJFHSA-N 416.521 4.682 0 40 HJAB Cc1cc(C)c(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)N(Cc2ccco2)C3=O)c(O)c1 20868164 YJWWECWHAXFVGY-HSZRJFAPSA-N 417.440 4.877 0 40 HJAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](NC(=O)c1ccco1)c1ccccc1 24842450 FWSXRMACSPNDER-LJQANCHMSA-N 417.292 4.716 0 40 HJAB COc1cc(Br)c(CN[C@H](c2ccccc2)c2ccccn2)cc1OC 25363720 IZKUFMGAQONHCX-OAQYLSRUSA-N 413.315 4.741 0 40 HJAB CC(C)(C)OC(=O)N1CCC(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 29845325 SSKSDFZSSYPQDX-QHCPKHFHSA-N 420.553 4.808 0 40 HJAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)c(C)c1 32097079 LFXBPFKOQJCZSN-SFHVURJKSA-N 408.889 4.651 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c1 32098247 OSGVJNJDERHFCR-UHFFFAOYSA-N 404.875 4.603 0 40 HJAB C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 32747356 HTYQMTOLERURPU-LLVKDONJSA-N 421.507 4.883 0 40 HJAB Cc1ccc(-c2noc([C@@H](C)N3CCN(c4nc5ccccc5s4)CC3)n2)cc1 32824993 KYTIWXUDGJNXME-MRXNPFEDSA-N 405.527 4.538 0 40 HJAB COC(=O)c1ccc(/C=C2\SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1 33752234 CWOUKFMAKZXQQX-MFOYZWKCSA-N 416.886 4.541 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3c(C)cccc3C)c3c(C)nn(C)c3n2)c1 36616152 NYBMRTOZLCBSER-UHFFFAOYSA-N 400.482 4.821 0 40 HJAB O=C(NCc1ccccc1N1CCCC1)c1cc(C2CC2)nc2onc(C3CC3)c12 36617333 UYAKSVXQRLGCNO-UHFFFAOYSA-N 402.498 4.508 0 40 HJAB O=C(NC[C@H]1CCCO1)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c12 36618512 QOJKNKPHFPVKHG-GOSISDBHSA-N 417.440 4.605 0 40 HJAB Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c(-c2nc(C3CC3)n[nH]2)c1 40150958 HLBFWFMIPLWNQF-UHFFFAOYSA-N 400.404 4.858 0 40 HJAB Cc1nc2nc3ccn(CCC4=CCCCC4)c(=O)c3c(-c3ccccc3Cl)n2n1 40398397 RPQBCPOGRZLFKV-UHFFFAOYSA-N 419.916 4.959 0 40 HJAB O=C(CSCc1nc2ccccc2s1)N1CCn2cccc2[C@H]1c1ccccc1 44575955 ZQIMXONDLXWMKP-HSZRJFAPSA-N 419.575 4.963 0 40 HJAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 59321204 ILELCOVMHSBNRV-UZLBHIALSA-N 407.518 4.585 0 40 HJAB COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nc(C(F)(F)F)nn32)cc1O 102245319 FHZFGGTYCHZUKJ-CQSZACIVSA-N 422.794 4.721 0 40 HJAB CCOc1c(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cccc1OC 214150859 IKPVUPCBMULMHG-GZTJUZNOSA-N 403.887 4.984 0 40 HJAB Cc1ccc(SCCNC(=O)COc2ccc(Br)cc2Cl)cc1 218942732 FRWLSLLNMPSODI-UHFFFAOYSA-N 414.752 4.698 0 40 HJAB O=C(CSCc1ccccc1F)Nc1ccccc1C(=O)NCCc1ccccc1 222701031 RLMNNFVTQQMLOZ-UHFFFAOYSA-N 422.525 4.670 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 222996628 YWDSAMNJJREQQT-FQEVSTJZSA-N 412.599 4.729 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 223042930 YWQZAEVAIXONGN-SFHVURJKSA-N 400.950 4.525 0 40 HJAB Cc1ccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 223464341 IXHAWZKTNNBDBJ-UHFFFAOYSA-N 416.587 4.521 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1ccc(OC)cc1 224599955 LVYPGJPWFVKFPB-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 225298698 XDIXSOOXGQRLOX-INIZCTEOSA-N 403.891 4.663 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 225510919 PLGHVQAXLWNEEN-QPPBQGQZSA-N 408.586 4.958 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCCC1 225614061 PSSLJSRGAFXWHY-XMMPIXPASA-N 420.553 4.988 0 40 HJAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc4ccccc4c3)s2)cc1 225839965 IHAOTRZNDVZGLI-CQSZACIVSA-N 405.479 4.773 0 40 HJAB Cc1c(Br)ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C[C@@H](c4ccccc4)[C@H]3C2)c1C 227626341 QFCWVRAAUSWKHF-WIRVCHQWSA-N 424.338 4.995 0 40 HJAB CCc1n[nH]c(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)c1C 257318130 VMPRDYVCIQMSAD-LJQANCHMSA-N 412.921 4.880 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)cc1 408622038 AGMZAROVALKGHU-IBGZPJMESA-N 422.550 4.547 0 40 HJAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2C)CC1=O 408643000 QJXDDQLJEJMDHL-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB CCn1c(SC(=O)c2ccc(I)cc2)nc2ccccc21 408692560 PIOQOPJWXNDELY-UHFFFAOYSA-N 408.264 4.593 0 40 HJAB O=C(O)c1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1CCc1ccccc1 585266508 BCYZRTFJILVTIC-NRFANRHFSA-N 407.901 4.955 0 40 HJAB CN1CCCCCCN(C(=O)CC2CC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643581829 BXNHNWRIVBSNMU-GGAORHGYSA-N 412.574 4.651 0 40 HJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1cc(Br)cs1 1775977272 HZSCNHZZOBJHNI-CQSZACIVSA-N 408.342 4.703 0 40 HJAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 623213 VZGNPWJXNYRHQC-XMMPIXPASA-N 400.522 4.670 0 40 HJAB CCCCc1nnc(NC(=O)/C=C/c2cc(Br)ccc2OCC)s1 1782446 YGXYXURYLZCUFG-JXMROGBWSA-N 410.337 4.694 0 40 HJAB C[C@H](c1nnc(SCC(=O)c2cccs2)n1-c1ccc(Cl)cc1)N(C)C 3379613 CFNLLYZRIRMEKT-GFCCVEGCSA-N 406.964 4.580 0 40 HJAB Cc1ccc(-n2nnnc2SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1 3498824 GYQFMHDHYLELPC-UHFFFAOYSA-N 406.511 4.801 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 3983846 RNFUORZCJMHGLE-UNTFZJFLSA-N 416.631 4.567 0 40 HJAB biogenic Cc1cc(C)cc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)CSC3)c1 4176230 KBNMXQXVTKRDSG-UHFFFAOYSA-N 413.930 4.907 0 40 HJAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 4545097 WXVLCGHVEMCUBA-SZNDQCEHSA-N 418.518 4.946 0 40 HJAB COc1ccc([C@@H]2c3cc4c(cc3O[C@]3(N5CCCC5)CCC[C@H]23)OCO4)c(OC)c1 5554765 NYLWYKVNXOZERE-UKDVSSAZSA-N 423.509 4.549 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 5560249 VMDIPEFCFAFXBX-MRXNPFEDSA-N 409.795 4.625 0 40 HJAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 5570968 MFMVPAMMZVDPSX-UHFFFAOYSA-N 417.962 4.531 0 40 HJAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N[C@@H]1CCCc2ccccc21 6028908 PSJLEVCFYZBIAF-JLTOFOAXSA-N 418.522 4.892 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCCCC3)cc2)cc1Cl 6546791 LTYQPTOEOSJYNM-UHFFFAOYSA-N 401.963 4.761 0 40 HJAB O=C(COC(=O)CCC(=O)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 7396228 KVWLZYFRUQKXNW-UHFFFAOYSA-N 403.434 4.624 0 40 HJAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1 7766963 LAARRCSBKFHSCM-IBGZPJMESA-N 401.491 4.796 0 40 HJAB C[C@H](Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)c1ccccc1 7843468 SJMQIKGSPBMDPN-INIZCTEOSA-N 413.568 4.768 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)CCCn2c(=O)oc3ccccc32)cc1 8128618 PZPSGADNSKHVPN-HXUWFJFHSA-N 408.498 4.527 0 40 HJAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(O)c(C(=O)O)c1 8870918 OXFJRRHVGGMKKH-UHFFFAOYSA-N 420.343 4.578 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(=O)c2ccccc2o1 8994588 LQWWRPYMGAFMIU-UHFFFAOYSA-N 419.458 4.951 0 40 HJAB Fc1ccc(N2CCN(C(=S)c3cccc(OCc4ccccc4)c3)CC2)cc1 9187981 LIAKDFGYKDFMLT-UHFFFAOYSA-N 406.526 4.902 0 40 HJAB Cc1cccc2sc(N(CCN(C)C)C(=O)c3ccc(Br)s3)nc12 9603925 BDVQWPUDTBVCJL-UHFFFAOYSA-N 424.389 4.637 0 40 HJAB CN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)[C@H]1CCCc2ccccc21 9818452 COAFQRHGQHLSFD-SFHVURJKSA-N 424.595 4.970 0 40 HJAB COc1ccc(SCC(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1 10219160 IRLPATHJLIQGIN-UHFFFAOYSA-N 401.538 4.954 0 40 HJAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(CN2CCCCC2)cc1 10282829 MSXUADLQFUSYMU-UHFFFAOYSA-N 405.586 4.588 0 40 HJAB COc1cc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)cc(OC)c1 10642204 OVJPNRUHJIQELK-UHFFFAOYSA-N 409.467 4.838 0 40 HJAB CCCCCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1Br 11614201 UNPDUYNQODJAPH-UHFFFAOYSA-N 404.370 4.583 0 40 HJAB COc1ccc(NC(=O)CCc2csc(NC(=O)c3ccccc3)n2)cc1Cl 11835414 UARXXXAOPJZJKA-UHFFFAOYSA-N 415.902 4.629 0 40 HJAB COc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1OCc1ccncc1 12537975 CUGJTXCJNOEIQT-CQSZACIVSA-N 409.511 4.503 0 40 HJAB Nc1nc2n(n1)[C@H](c1cccc3ccccc13)C[C@@H](c1ccc(Br)cc1)N2 12630316 YMMNVLNFTFHQPV-OALUTQOASA-N 420.314 4.922 0 40 HJAB Cc1ccc2c(CC(=O)N(CC(=O)Nc3ccccc3)Cc3ccco3)coc2c1 12911758 OVARLDPNNFRURC-UHFFFAOYSA-N 402.450 4.544 0 40 HJAB C=C1c2ccccc2N=C(SCC(=O)Nc2cc(OCC)ccc2OCC)N1C 12979663 WBFDTNVZQRTDGB-UHFFFAOYSA-N 411.527 4.760 0 40 HJAB CCOc1ccc(N2C(=O)CS[C@@]23C(=O)N2c4c(cccc43)[C@H](C)CC2(C)C)cc1 13839832 MCAJWMACMHPGPO-MYYSRTQBSA-N 422.550 4.651 0 40 HJAB O=C(CSc1nnc(-c2cccs2)o1)N(Cc1ccccc1)Cc1ccco1 14184317 CAQIOWBMEBGNFL-UHFFFAOYSA-N 411.508 4.712 0 40 HJAB CCCn1c(C)cc(C(=O)Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)c1C 14246700 JTGPSXPIBSBXJX-UHFFFAOYSA-N 417.431 4.640 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 17064452 UZYQJKFOMHQWLA-NSHDSACASA-N 402.210 4.552 0 40 HJAB COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(CC2CCCCC2)C1 19568931 NUKXZYKENZPWCP-SQJMNOBHSA-N 421.585 4.854 0 40 HJAB COc1ccccc1CCC(=O)N1CCC[C@H]1c1ccc(Cc2ccccc2)cn1 19687946 BASLHLXFXDETER-DEOSSOPVSA-N 400.522 4.977 0 40 HJAB O=C(Nc1nccs1)c1cc([C@@H]2CN(C3CCCCC3)CCO2)nc2ccccc12 19754433 ZCPZNILGWOHXBI-NRFANRHFSA-N 422.554 4.650 0 40 HJAB O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc(Cl)c1 20151843 YZKKDWWJWKCILE-UHFFFAOYSA-N 421.305 4.873 0 40 HJAB CC[C@@H](C(=O)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1)c1ccccc1 21688439 CGEFMPLLNOYCKG-OAQYLSRUSA-N 405.567 4.648 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cc2nc(-c3ccccc3)oc2C)c1 23007601 ZKXDNASYDIVWMI-NRFANRHFSA-N 406.482 4.573 0 40 HJAB CCOC(=O)c1cnn(-c2ccc(NC(=O)c3cc(C)oc3C)cc2)c1C(F)(F)F 24646399 VTBCBAKJJJWBCE-UHFFFAOYSA-N 421.375 4.530 0 40 HJAB O=C(NCCc1cccs1)c1ccccc1C(=O)c1ccc(Br)cc1 24763242 XIHPCIKROQUZEP-UHFFFAOYSA-N 414.324 4.714 0 40 HJAB CSCc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 24863945 VODAIGGOOYLDHV-UHFFFAOYSA-N 409.536 4.810 0 40 HJAB Cc1ccc(C)n1-c1sccc1C(=O)OCc1ccc(C(=O)N2CCCC2)cc1 25113459 BIXNQBIBTPCYMD-UHFFFAOYSA-N 408.523 4.749 0 40 HJAB CC[C@H]1CSC(N(CC(=O)c2ccc3c(c2)OCCO3)c2ccc(Cl)cc2)=N1 26442113 WFRXCWDONWESJD-INIZCTEOSA-N 416.930 4.682 0 40 HJAB Cc1ccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1 28441849 RZCYXFXPPSTAPQ-UHFFFAOYSA-N 402.494 4.674 0 40 HJAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 28871608 YFILWFWZZFVHDL-SNVBAGLBSA-N 400.784 4.569 0 40 HJAB C[C@@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 32863030 FCXVVEMUQAVGOB-CQSZACIVSA-N 420.340 4.658 0 40 HJAB O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1CNc1ccc(Br)cc1 33518516 MTZYEILRAWAZQS-DHDCSXOGSA-N 407.264 4.694 0 40 HJAB O=C1C[C@H](c2ccc(Br)cc2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 35143205 OWBCDVCSTZQHQW-CQSZACIVSA-N 402.679 4.967 0 40 HJAB COc1ccc(/C=C2/S/C(=N/c3ccc(Cl)cc3Cl)NC2=O)cc1OC 35644709 LCXGECAIXDGBAZ-LZYBPNLTSA-N 409.294 4.902 0 40 HJAB COc1ccccc1-c1ccc2c(N)c(C(=O)c3ccc4c(c3)OCO4)sc2n1 36559198 BMWJAYTXXQBSGO-UHFFFAOYSA-N 404.447 4.514 0 40 HJAB CCc1nn2c(nnc3c(=O)n([C@@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40391686 XFOIZPPUZGPPTA-YZVOILCLSA-N 419.504 4.805 0 40 HJAB CC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 45767922 RUOYVROGPDHYGU-WOJBJXKFSA-N 405.325 4.924 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1nc(C(C)(C)C)no1)CC2 48355785 WQGQRYLBEIWWML-HXUWFJFHSA-N 413.543 4.594 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1 69441981 BEACBWWBPDHNSK-UHFFFAOYSA-N 410.477 4.809 0 40 HJAB O=C(C1CCC1)N1CCc2c([nH]c3ccccc23)C12CCN(Cc1ccccc1)CC2 72325652 CBIGLVGSBGSREQ-UHFFFAOYSA-N 413.565 4.844 0 40 HJAB COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)C[C@@H]3CCOc4ccccc43)n2)c1 83973758 BAQPDALSLIAGOY-HTAPYJJXSA-N 417.509 4.705 0 40 HJAB Cc1ccc(-c2ocnc2C(=O)OCc2nc3cc(Br)ccc3[nH]2)cc1 96003065 LXOHLFKBQCRNGK-UHFFFAOYSA-N 412.243 4.646 0 40 HJAB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3[C@@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)cc1 101649621 SUBGWVVPOYQJTR-LOKHBOFASA-N 405.494 4.913 0 40 HJAB COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1cc(-c3ccc(Cl)cc3)on1)cn2C 141584407 YRYJGZNAFQEGFX-AWEZNQCLSA-N 423.900 4.856 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2 218925846 FBUBUTKDFHDTSP-SFHVURJKSA-N 403.906 4.763 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1Cl 222844854 BICHPIQKTMMHEO-INIZCTEOSA-N 407.341 4.726 0 40 HJAB COCc1nn2c(ncc3c(=O)n([C@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccccc1 223060924 ZJSVXTXKCIZWFG-FIKGOQFSSA-N 416.525 4.855 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1c1ccccc1 224159035 VCSVSPFDXZZDBX-XZOQPEGZSA-N 411.534 4.504 0 40 HJAB CN(c1ccc(C(=O)NCCC2CCCCCC2)cc1)S(=O)(=O)c1ccccc1 224179427 JTKFOSQGVRFFRC-UHFFFAOYSA-N 414.571 4.602 0 40 HJAB Cc1ccc(CN(C(=O)COc2ccccc2C(C)C)[C@@H](C)C(=O)NCC(C)C)cc1 224205476 QKQLZQNOUBKXRR-NRFANRHFSA-N 424.585 4.687 0 40 HJAB Cn1c(/C=C2/SCCN2C(=O)c2ccc(Br)cc2)nc2ccccc21 225236084 HNDVBGQGFJYFHI-LDADJPATSA-N 414.328 4.523 0 40 HJAB Cc1cccc([C@@H](NC(=S)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc2)c1 225701360 RVVPWLHRICPGDE-QFIPXVFZSA-N 403.551 4.773 0 40 HJAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1cccc(Cl)c1 225818799 KKZJKTHJGXEPPU-UHFFFAOYSA-N 406.667 4.724 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)c1 225864197 LSUHHDDCGNIBRG-UHFFFAOYSA-N 412.555 4.936 0 40 HJAB CCOc1ccc(C(=O)O)cc1-c1cc(-c2cccc(OC)c2OC)n(CC(C)C)n1 257271354 MXYQKIXUNYSTSL-UHFFFAOYSA-N 424.497 4.987 0 40 HJAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1C 408612120 YMWHUYHYYTZTRK-UHFFFAOYSA-N 421.733 4.506 0 40 HJAB O=S(=O)(c1ccc(Cl)c(F)c1)N1CCC(c2nc3ccccc3s2)CC1 1327466 RKUHBOJCARLAOO-UHFFFAOYSA-N 410.923 4.657 0 40 HJAB Cc1cc2cc(CN(C(=O)NCc3ccccc3)C3CCCC3)c(=O)[nH]c2cc1C 1371139 LGXPMBOJZGMYAT-UHFFFAOYSA-N 403.526 4.799 0 40 HJAB CCCCCCn1c(N)c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc21 2325039 NFCBSVBILRBDOL-UHFFFAOYSA-N 415.541 4.720 0 40 HJAB CCc1ccc(-n2cc3c(c2-c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n3C)cc1 2398323 LWMOLCKKJGJJSU-UHFFFAOYSA-N 415.537 4.555 0 40 HJAB O=S(=O)(Nc1ncnc2sc(-c3ccccc3)cc12)c1ccc(Cl)cc1 2641776 MEWNSNYYOUWNNG-UHFFFAOYSA-N 401.900 4.813 0 40 HJAB O=C(OCCN1CCCCC1)c1ccc(COc2ccccc2Br)cc1 2750508 XVKCMGSAUWBQGT-UHFFFAOYSA-N 418.331 4.671 0 40 HJAB COc1ccc(-c2nsc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 3007371 SMOUNIWLOQSWOZ-UHFFFAOYSA-N 405.932 4.906 0 40 HJAB C[C@]1(C(=O)NC(=S)N(CCc2ccccc2)Cc2ccccc2)CC1(Cl)Cl 3281161 GZDXSNVIWTUKRU-HXUWFJFHSA-N 421.393 4.716 0 40 HJAB COc1cc(SC)ccc1C(=O)OCC(=O)Nc1ccccc1-c1ccccc1 3360715 PLCSUGFMWJUYJF-UHFFFAOYSA-N 407.491 4.880 0 40 HJAB Fc1ccc(-n2nnc3c(SCc4ccc(C(F)(F)F)cc4)ncnc32)cc1 4166715 ZJIAHQTWUBNCDN-UHFFFAOYSA-N 405.380 4.661 0 40 HJAB CCc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(OC)c2)c1 4518134 IHPRAOYELNLSII-UHFFFAOYSA-N 419.529 4.814 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)n2C(C)C)cc1 4549315 CGWADCOPMBSDNQ-FRQCXROJSA-N 416.591 4.568 0 40 HJAB CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1ccccc1C 4964624 JXZAFRQUUXGQSH-FQEVSTJZSA-N 422.554 4.539 0 40 HJAB COc1ccc(C2(NC(=O)c3ccc(Cn4cc(Cl)cn4)o3)CCCCC2)cc1 5007295 QEVHPHRRRYJFLG-UHFFFAOYSA-N 413.905 4.776 0 40 HJAB CCc1ccc(OCCCn2c(CCNC(=O)c3ccco3)nc3ccccc32)cc1 5235806 ZHMNDRRKQBCPHD-UHFFFAOYSA-N 417.509 4.633 0 40 HJAB CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cccc3ccccc23)cc1 5373364 ULIQFWGIBPVHCV-UHFFFAOYSA-N 408.523 4.655 0 40 HJAB O=C(NC(=S)NN(Cc1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 5445943 OEHRCEOJVLONBB-UHFFFAOYSA-N 419.594 4.815 0 40 HJAB O=C(NC[C@H](c1ccco1)N1CCCCC1)C1c2ccccc2Oc2ccccc21 5511537 OPTYHPDRICIIRI-HXUWFJFHSA-N 402.494 4.861 0 40 HJAB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccccc1F)oc1ccccc12 6059343 KWJWTTTUKQOGCP-ZDUSSCGKSA-N 407.397 4.918 0 40 HJAB COc1ccc(C(=O)[C@H](C)Sc2nnc([C@H](C)Oc3ccc(F)cc3)o2)cc1 6374641 DMMCGGNRJWMLFH-STQMWFEESA-N 402.447 4.721 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2F)N1c1nccs1 8827461 XYYZBQRCYFJMPW-INIZCTEOSA-N 412.829 4.792 0 40 HJAB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Br)cc1 9275130 VTAIHTFXIKHTLU-UHFFFAOYSA-N 423.064 4.514 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1 9305881 YDMYQBWZOOLGKT-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB O=C(CSc1ncnc2sccc12)Nc1ccccc1C(=O)Nc1ccccc1 9491510 XQMDKYDHWQCPRR-UHFFFAOYSA-N 420.519 4.674 0 40 HJAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3nccs3)n2-c2ccccc2)cc1 9668976 RCFGMZFGNJNLRB-OAHLLOKOSA-N 421.551 4.819 0 40 HJAB Cc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)cc1F 11835138 BHLRXPSXRULJLD-UHFFFAOYSA-N 401.438 4.553 0 40 HJAB Cc1nc(C)c(C(=O)NCCCn2c(-c3ccc(F)cc3)cc3cccnc32)s1 12222913 XLEHODXACPHZKN-UHFFFAOYSA-N 408.502 4.736 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCCC[C@H]1c1cnn(C)c1 12232571 IQRXBTVRHCIYEH-KRWDZBQOSA-N 416.884 4.934 0 40 HJAB Cc1ccc(-c2noc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1F 12638961 AIAKZGAKRBJQGO-UHFFFAOYSA-N 420.410 4.525 0 40 HJAB CC(C)OCCCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2ccccc2c1=O 12859758 MBFHUZADIVGBGS-HNNXBMFYSA-N 416.547 4.571 0 40 HJAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccnn1Cc1ccc(Cl)cc1Cl 13003057 FPEWWAIOUSZSIP-UHFFFAOYSA-N 418.280 4.538 0 40 HJAB Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2onc(C)c2C)cc1 19209673 WZLOXUNYVLLIHI-NRFANRHFSA-N 404.514 4.662 0 40 HJAB CCc1nc2ccccc2n1C[C@@H](C)C(=O)N[C@@H](c1ccncc1)c1cccs1 19523273 QSQYNNAPJALDIQ-ZHRRBRCNSA-N 404.539 4.597 0 40 HJAB CC(=O)c1ccc(N2CCN(Cc3c(-c4ccccc4)nc4sccn34)CC2)cc1 19531841 WAWQVLGKERCRDM-UHFFFAOYSA-N 416.550 4.588 0 40 HJAB Cc1cc2nc(-c3cc(NC(N)=S)cc(C)c3O)oc2c(Br)c1C 20156917 GRWVIMMOTKTAIA-UHFFFAOYSA-N 406.305 4.544 0 40 HJAB COc1ccccc1CNC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(C)cc1 21361486 QHHNJNZFDCBOIQ-UHFFFAOYSA-N 413.477 4.667 0 40 HJAB C[C@H](Sc1nc2ccsc2c(=O)n1-c1ccccc1)c1nc(C(C)(C)C)no1 24770474 KFEKCXNWYCQPGV-LBPRGKRZSA-N 412.540 4.981 0 40 HJAB CCOc1c(Br)cc(F)cc1NC(=O)c1cc(Cl)ccc1OC 24864651 ALLGDOWRWFAPIG-UHFFFAOYSA-N 402.647 4.901 0 40 HJAB O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2nc3ccccc3o2)cc1 26926844 NFYYOGQMLHJQSU-UHFFFAOYSA-N 401.466 4.515 0 40 HJAB O=C(Nc1ccc(OC[C@H](O)COc2cc(Cl)ccc2Cl)cc1)c1ccco1 27213524 LCWPCIADWOYODC-HNNXBMFYSA-N 422.264 4.657 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 30852907 YKYQRRROEIZSLK-BXKMTCNYSA-N 420.534 4.853 0 40 HJAB CCOc1ccc([C@H](NC(=O)c2cc(=O)c3ccccc3o2)C(C)C)cc1OCC 33239313 IKYMSUQYGHIXMX-HSZRJFAPSA-N 409.482 4.718 0 40 HJAB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)NC1CCCC1 34864234 HJLVADIYJRSVIR-PEZBUJJGSA-N 416.477 4.530 0 40 HJAB O=C(Nc1ccc2c(c1)oc1ccccc12)NC1CCN(Cc2ccncc2)CC1 47546903 WCQMBUGPNJZVRW-UHFFFAOYSA-N 400.482 4.767 0 40 HJAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cccc2cccnc12 56252962 RTWRLBPEYUHSOC-UHFFFAOYSA-N 414.427 4.732 0 40 HJAB Cc1cccc(Oc2ncccc2NC(=O)c2nc(N3CCCC3)ncc2Cl)c1C 58407566 SJGQWGNRPFVPNG-UHFFFAOYSA-N 423.904 4.787 0 40 HJAB Cc1sc(-n2cccc2)c(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)c1C 60017796 LZHNKHGIAHFHRH-UHFFFAOYSA-N 412.530 4.773 0 40 HJAB CCc1ccc(-n2nc(-c3nc(-c4ccccc4OC)no3)c3ccccc3c2=O)cc1 64950071 RACADPIZSQDWCO-UHFFFAOYSA-N 424.460 4.674 0 40 HJAB COc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)c1 67293154 AABYMPMHLPVZRO-LVWGJNHUSA-N 408.841 4.850 0 40 HJAB COc1ccc(C2(CNC(=O)c3sc(-c4ccccc4)nc3C)CCOCC2)cc1 79481589 CUTNOPUDGBVOAL-UHFFFAOYSA-N 422.550 4.605 0 40 HJAB C[C@@H]1N=C(c2ccc(I)cc2)[C@@H]2[C@H](c3ccc(Cl)cc3)N12 103151028 DACVTGNUCKIYJC-VLTRTOGNSA-N 408.670 4.519 0 40 HJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](N5CCCCC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 118918644 QZQARKHEFRUGSK-ALJVBUTGSA-N 415.618 4.994 0 40 HJAB [N-]=[N+]=NCCOCCOCCNC(=O)c1ccc2ccc3cccc4ccc1c2c34 205997848 CXNRBKHYGKLDHH-UHFFFAOYSA-N 402.454 4.657 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)[nH]2)cc1 216050961 PWJLNYSXBXHRFH-UHFFFAOYSA-N 423.325 4.908 0 40 HJAB COC(=O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)o2)c1 222857137 QAPLYCLYJYNOKE-RTWAWAEBSA-N 421.522 4.509 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 222866210 JXWPRAROPDRFSV-QGZVFWFLSA-N 416.562 4.640 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 223270235 DWNGJHWTRDLVOY-FQEVSTJZSA-N 421.368 4.706 0 40 HJAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2sccc2C)cc1 223959234 IQKSEDAIABRJPM-OALUTQOASA-N 408.552 4.587 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C 224629035 PLBWRXKDYNUKBS-QHCPKHFHSA-N 424.585 4.570 0 40 HJAB Cc1ccc(C)c(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224998827 ODXKCOXRCFLJSS-QFIPXVFZSA-N 420.597 4.755 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)[nH]1 225336302 LOEZPMODDABGIC-YADHBBJMSA-N 406.555 4.991 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(Cl)cc3Cl)n2)cc1 225380861 YAUUJWVPKLVCLA-UHFFFAOYSA-N 404.297 4.943 0 40 HJAB CC(C)(C(=O)N1CC[C@](C)(O)[C@@H](Oc2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 257252952 JWWPPIJHSXHVFG-UGKGYDQZSA-N 422.352 4.702 0 40 HJAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc(C(C)(C)C)n[nH]3)o2)c1 257335843 YMBYLZBWOYSHOI-HXUWFJFHSA-N 422.529 4.662 0 40 HJAB CCCO[C@@](C)(C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1)C1CC1 260814626 LNRVPQDYNMRIBY-YADARESESA-N 402.579 4.721 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 408640173 HYOHZVIBTKFNFW-HXUWFJFHSA-N 422.525 4.642 0 40 HJAB CCc1ccc(N2C[C@@H](C(=O)NCC(c3ccccc3)c3ccccc3)CC2=O)cc1 408708861 UXJSWCPKWNYBJP-QHCPKHFHSA-N 412.533 4.550 0 40 HJAB Cc1cccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccccc2Br)c1 408841749 KRPYFRSWMDUOHM-XSFVSMFZSA-N 418.294 4.987 0 40 HJAB CC(C)c1ccc(OCc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)o2)cc1 409163459 RWEIFZNMFTXDLB-INIZCTEOSA-N 411.527 4.742 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(C)c3O)[C@](O)(C(F)(F)F)[C@@H]2C1 409364599 XPWWXZDDODFYTR-WAWZGNHOSA-N 412.452 4.616 0 40 HJAB Cc1ccc2c(c1)[C@H](NC(=O)N1CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C1)CC2 592546091 PUXSSVUVUMVNHF-WIYYLYMNSA-N 420.488 4.761 0 40 HJAB C[C@@H](CCc1ccccc1)NC(=O)CC1(N2Cc3ccccc3C2=O)CCCCC1 1548347907 DJPZNBJEGZQYMX-FQEVSTJZSA-N 404.554 4.873 0 40 HJAB CCC(CC)C(=O)Nc1cccc(C(=O)Nc2nnc(Cc3ccccc3)s2)c1 692104 TUFLEDBUAFWPSO-UHFFFAOYSA-N 408.527 4.756 0 40 HJAB COC(=O)c1c(NC(=O)C(C)C)sc(C(=O)Nc2ccc(C)c(Cl)c2)c1C 876862 PSXTZOPMKBFKRP-UHFFFAOYSA-N 408.907 4.652 0 40 HJAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c(C)c1 1056074 GZVFHNAMQFJKRY-QHCPKHFHSA-N 402.494 4.780 0 40 HJAB biogenic O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1 1134643 RIRPGHWQRIGDKZ-OQLLNIDSSA-N 407.278 4.668 0 40 HJAB O=C(CCc1ccccc1)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1 1362864 HBVDDJKUFDVWLA-UHFFFAOYSA-N 403.501 4.724 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 1396419 CVYBEGOWIRNBEY-UHFFFAOYSA-N 409.219 4.734 0 40 HJAB COc1ccc2c(Cl)c(C(=O)N3CCN(c4ccc(F)cc4)CC3)sc2c1 1470059 KOUMYWCOOOVDHL-UHFFFAOYSA-N 404.894 4.665 0 40 HJAB CC(C)NC[C@H](O)COc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1570824 CVKJFGQPZYUYQB-QHCPKHFHSA-N 421.537 4.582 0 40 HJAB CCOc1ccccc1N1C(=O)N[C@@H]2C[C@]1(C)Oc1ccc(Br)cc12 2468521 PXCXJWJBYLPZFT-KUHUBIRLSA-N 403.276 4.617 0 40 HJAB O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1cc(Cl)ccc1Cl 2515253 YEJWUWRFEPYAGM-UHFFFAOYSA-N 406.309 4.563 0 40 HJAB Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCCCCCCCC4)n(C)c3nc12 2917309 RITQOSIAGBNTBQ-UHFFFAOYSA-N 422.573 4.898 0 40 HJAB O=C(/C=C/c1ccc(Br)o1)OCC(=O)c1ccc(Cl)c(Cl)c1 3530168 KLLVEFLZDIFHBC-ZZXKWVIFSA-N 404.043 4.788 0 40 HJAB C[C@]12CC[C@H]3c4ccc(OC(=O)CCN5CCCCC5)cc4CC[C@H]3[C@@H]1CCC2=O 4028100 KBZHXUQCKRKJLU-LNEBKTTKSA-N 409.570 4.893 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C)c(C)c1 4138371 BUTOFHVOCNYOFB-UHFFFAOYSA-N 405.527 4.619 0 40 HJAB Cc1cc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)c2ccccc2n1 5269925 AEQWTPZUOUKLOP-UHFFFAOYSA-N 403.869 4.659 0 40 HJAB Cc1cc(Nc2ccc(S(=O)(=O)N(C)C)cc2)c2ccc(C(F)(F)F)cc2n1 5520812 DXWMAVXFNDXDGL-UHFFFAOYSA-N 409.433 4.556 0 40 HJAB COc1ccc(C[C@@H](C(=O)Nc2ccccn2)c2nc3ccccc3s2)cc1OC 5570211 XCHFDWGJOPPBCM-INIZCTEOSA-N 419.506 4.674 0 40 HJAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2ccccn2)cc1 5622495 HZTQSFLLJIHUCP-OAQYLSRUSA-N 403.507 4.560 0 40 HJAB Cc1ccc(OCCCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 6123545 BKLVNCPGECWNFA-UHFFFAOYSA-N 422.447 4.648 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)NC1CCCCCC1 6495520 UVTFPBGXJLULIQ-UHFFFAOYSA-N 402.564 4.974 0 40 HJAB O=C(CCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(Br)cc1 6602125 SAAFXAINJDSTPP-UHFFFAOYSA-N 414.343 4.893 0 40 HJAB Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C(C)C)CC4)cc1Cl 6737129 NOMFIDOYJDYJBG-UHFFFAOYSA-N 414.962 4.859 0 40 HJAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2F)no1 6922293 QSOAKWAWKRXCSR-GOSISDBHSA-N 410.788 4.632 0 40 HJAB O=C(c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)c2ccc(F)c(F)c2)cc1 6999959 BSBKIKADOCLYPM-UHFFFAOYSA-N 408.809 4.617 0 40 HJAB CCN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc(F)cc1 7763817 LJNDHLRIYKOKQB-UHFFFAOYSA-N 402.520 4.626 0 40 HJAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N(C1=CCCCC1)C1CC1 7844520 LYWTYSGGBYLTHP-UHFFFAOYSA-N 414.600 4.806 0 40 HJAB O=C(CNc1ccccc1C(=O)NCc1ccccc1)Nc1ccc2ccccc2c1 7977881 QBRWKWIOJRHLPD-UHFFFAOYSA-N 409.489 4.820 0 40 HJAB O=C1O[C@H](C(=O)Nc2ccccc2-c2nc3ccccc3s2)Cc2ccccc21 8072266 SGHICSAXWVIIJK-IBGZPJMESA-N 400.459 4.684 0 40 HJAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 8273457 HDFJPIVJCIRHGZ-UHFFFAOYSA-N 418.324 4.952 0 40 HJAB CCCCc1ccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 10333395 LHHXTPPREOGLBN-UHFFFAOYSA-N 416.587 4.731 0 40 HJAB O=C(Nc1ccccc1I)c1occc1COc1ccccc1 11326568 QSPXANXYBKQNGJ-UHFFFAOYSA-N 419.218 4.716 0 40 HJAB COc1ccc(Cl)cc1-c1nnc2sc(-c3ccc(Br)cc3)nn12 12389489 DAWMGRUYLFZLHV-UHFFFAOYSA-N 421.707 4.944 0 40 HJAB NC(=O)c1ccc(N[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 12514581 NXCKYROASJDKMR-IBGZPJMESA-N 413.399 4.596 0 40 HJAB Cc1ccc(-n2ccn(CN3CCC(c4nnc5ccccn45)CC3)c2=S)c(C)c1 12544224 PTMLESCBRVOBMF-UHFFFAOYSA-N 418.570 4.505 0 40 HJAB CC(C)Cc1ccc(-c2cnc(CCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1 12588793 AYRZKUQRQKPZLJ-UHFFFAOYSA-N 417.553 4.822 0 40 HJAB O=C(COc1ccc2oc3ccccc3c2c1)NC1CCN(Cc2ccccc2)CC1 12894650 RHROKIYNOWPNFV-UHFFFAOYSA-N 414.505 4.746 0 40 HJAB CCC(=O)N(c1nnc(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)s1)C1CC1 12920941 BXYKKQBPAOUUHC-GFCCVEGCSA-N 415.544 4.655 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccc(F)c2c1C(=O)C[C@H]2C 12931404 GHRYCIHXCBOCAG-NEPJUHHUSA-N 405.853 4.892 0 40 HJAB CCN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)c1nc2cc(Cl)ccc2s1 12944599 ANQMOIOTEWFMRF-UHFFFAOYSA-N 420.918 4.571 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2csc(-c3ccc(F)cc3)n2)c(C)c1 15768701 WROVHPVSZSRMKK-UHFFFAOYSA-N 411.502 4.585 0 40 HJAB COc1ccc([C@H](CNC(=O)CCc2nc3ccccc3s2)N2CCCCC2)cc1 18020401 KTOHACLJQZHHRS-NRFANRHFSA-N 423.582 4.581 0 40 HJAB Cc1cc(-c2cncnc2)cc([C@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 19691011 URBJQTCBFVVZQE-XMMPIXPASA-N 411.509 4.625 0 40 HJAB CCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)c1 20610750 LJZLEFFKHDVUDR-UHFFFAOYSA-N 422.872 4.734 0 40 HJAB COc1ccc(-c2nnc(SCc3ccc(I)cc3)o2)cc1 20847258 MCXAZLOLCFNUBD-UHFFFAOYSA-N 424.263 4.642 0 40 HJAB CN(Cc1ccsc1)C(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 21558199 RAIFAVNAIVXVCP-UHFFFAOYSA-N 416.612 4.904 0 40 HJAB CCOc1ccc(N2C3=[N+](CCCCC3)[C@](O)(c3ccc(OCC)cc3)[C@H]2C)cc1 27028254 GEKBWPZLZZOYJF-KBMIEXCESA-N 409.550 4.523 0 40 HJAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)NC1CCCCC1 27921398 WUMKZYGABWISIN-UHFFFAOYSA-N 405.340 4.765 0 40 HJAB CC(C)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cccc(Cl)c21 32102198 UIURZPZRRSLRMJ-HSZRJFAPSA-N 420.900 4.806 0 40 HJAB Cc1ccc(-c2csc(-n3c(NC(=O)Cc4ccc(F)cc4)cnc3C)n2)cc1 32616179 ZNDGWORLQVLWTR-UHFFFAOYSA-N 406.486 4.933 0 40 HJAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(SC(F)F)cc1 32797394 TWUGHJPYPMQCML-CYBMUJFWSA-N 405.470 4.567 0 40 HJAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(-n4ccnc4)nc3)n2)cc1 32902032 DNZHELKXGDTYOD-UHFFFAOYSA-N 403.511 4.941 0 40 HJAB COCc1cc(C)nc2sc(-c3ccon3)c(NC(=O)c3ccc(OC)cc3)c12 35326896 MZIGOLHSLHOSRS-UHFFFAOYSA-N 409.467 4.667 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 35441151 KFPAZIPBNUELPO-UHFFFAOYSA-N 402.325 4.788 0 40 HJAB O=C(NCc1ccccc1)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 38501417 FXDJVUXKWVUAEK-UHFFFAOYSA-N 419.431 4.660 0 40 HJAB Cc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1NS(=O)(=O)c1ccccc1 40108864 COMBYHWVPXSHRB-UHFFFAOYSA-N 423.469 4.669 0 40 HJAB CCn1cc(-c2nc(-c3cccc(Br)c3)no2)c(=O)c2cc(F)ccc21 64961044 XGACSWUVJPSUAO-UHFFFAOYSA-N 414.234 4.640 0 40 HJAB Cc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 71768999 MIKPLWDTGTYPDS-UHFFFAOYSA-N 409.917 4.579 0 40 HJAB Cc1nc([C@H]2CCCCN2Cc2ccccc2)ncc1C(=O)NCc1ccc(F)cc1 72345454 LIYPWFYWYFOPLW-HSZRJFAPSA-N 418.516 4.581 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc(C)c1Cl 95482272 VKANGTXJAUAJJZ-ZDUSSCGKSA-N 420.296 4.744 0 40 HJAB CC(C)n1c(CCCCCNC(=O)c2cc(=O)[nH]c3ccccc23)nc2ccccc21 96231545 ISNAVDNBYWBBMO-UHFFFAOYSA-N 416.525 4.602 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1F 98072957 UUKKKYSYFRQTKF-UHFFFAOYSA-N 412.202 4.716 0 40 HJAB COc1cc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)ccc1O 100617123 MONKOCZVNAKXRD-UHFFFAOYSA-N 403.438 4.539 0 40 HJAB C[C@H](NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1)[C@H]1C[C@H]2CC[C@H]1C2 103481516 NTLPCEUJAMSPQJ-ZJQBRPOHSA-N 411.395 4.970 0 40 HJAB Cc1ccc(CSCCNC(=O)COc2cc(C)c(Br)c(C)c2)cc1 218833686 OLGWQHXDQYPCSO-UHFFFAOYSA-N 422.388 4.803 0 40 HJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 219036720 DCUHNKFETSLXOB-GOSISDBHSA-N 404.510 4.719 0 40 HJAB Cc1ccc(SCCNC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219455040 OUDUAVRFIZVZOB-UHFFFAOYSA-N 404.535 4.797 0 40 HJAB C[C@@]1(N2CCCCC2)[C@H](c2ccccc2)Oc2ccc(Br)cc2[C@H]1O 222070005 PDCAUFHRAKNQNX-HKBOAZHASA-N 402.332 4.861 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 223017907 FXUOFZNPOAKYKV-FQEVSTJZSA-N 407.341 4.808 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCc1ccccc1 224158541 BHZYPWZFMHKVDM-DEOSSOPVSA-N 406.570 4.794 0 40 HJAB O=S(=O)(Nc1ccccc1Cl)c1ccc(NC(=S)Nc2ccccc2)cc1 224530898 HTQSVEJDJUFQMV-UHFFFAOYSA-N 417.943 4.950 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 225405143 HEIPQLUZLIIBOI-QGZVFWFLSA-N 400.950 4.559 0 40 HJAB Cc1cccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)c1 225497123 GTSUOAWYYDCTJI-QGZVFWFLSA-N 418.990 4.682 0 40 HJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(Br)cc2)CC1=O 408641477 LTYXAEOQDFSZJJ-MRXNPFEDSA-N 415.331 4.566 0 40 HJAB Cc1nnc(CC2=CC(=C3C=C[C](Cl)C=C3)c3ccccc3-n3c(C)nnc32)o1 1560403713 DYDSIZKTKUENSJ-UHFFFAOYSA-N 402.865 4.557 0 40 HJAB C[C@H]1CN(c2ccc(NC(=O)NCc3ccc(OC4CCCC4)cc3)cc2)C[C@H](C)O1 1673879849 UTEZZROJXAVGAH-OALUTQOASA-N 423.557 4.943 0 40 HJAB COC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2cc(C)cc(C)c2)c1C 871198 YNAXOEWWPFIYAQ-UHFFFAOYSA-N 422.506 4.965 0 40 HJAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c(OC)c1OC 998341 KVSCJEGLDLJQDQ-JOCHJYFZSA-N 408.429 4.623 0 40 HJAB S=C(NCc1ccccc1)NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 2305355 RBSBYPSIGBBBST-UHFFFAOYSA-N 419.941 4.941 0 40 HJAB CCC(CC)COC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 2385225 JJDCNNQHVCGPSP-UHFFFAOYSA-N 406.461 4.888 0 40 HJAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)n1 2400062 HERGSDZJBFBGHK-HXUWFJFHSA-N 402.837 4.900 0 40 HJAB COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2402939 GSGAMCUQPCIYGT-JOCHJYFZSA-N 415.445 4.757 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2Cc2ccco2)cc1 2453439 VGFSOMOFCGVASQ-UHFFFAOYSA-N 418.522 4.934 0 40 HJAB O=C(c1cc2ccccc2n1Cc1ccccc1)N1CCN(c2ccccc2F)CC1 2512576 NHDSMONEJAVYKL-UHFFFAOYSA-N 413.496 4.791 0 40 HJAB O=C(COC(=O)c1cc2ccccc2cc1O)NC(c1ccccc1)c1ccccc1 3232997 VJVHENGHKNPXMY-UHFFFAOYSA-N 411.457 4.608 0 40 HJAB CCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1 3268653 RXGCQKKWMXPBLH-UHFFFAOYSA-N 404.923 4.686 0 40 HJAB Cc1csc(SCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)n1 3347760 AUFOMRJOQGOTMI-HNNXBMFYSA-N 411.552 4.673 0 40 HJAB Cc1cc(Oc2coc3cc(OC(=O)[C@H]4CCCO4)ccc3c2=O)cc(C)c1Cl 4043307 SEMNAPUJKOIMDM-QGZVFWFLSA-N 414.841 4.940 0 40 HJAB COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2ccc(F)cc2)cc1 4414661 OTVJILJJCUMQEK-UHFFFAOYSA-N 410.470 4.817 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)NCc3ccccn3)ccc21 4674102 YZYPUDKVAAWZMH-UHFFFAOYSA-N 414.509 4.635 0 40 HJAB CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(OC)c(Cl)c3)C2=O)cc1 4714375 HVHUOUKOBYBAOH-VCHYOVAHSA-N 418.902 4.853 0 40 HJAB Cc1ccc(NC(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCC2)cc1 4860160 YBDYPABNZAZUKL-UHFFFAOYSA-N 419.481 4.542 0 40 HJAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1cccc2cccnc12 4893712 GAUMHFVRBYEQAU-MXXWWZHRSA-N 402.453 4.631 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cccc(OC)c1 5478100 GCWLATNNMMKHOG-UHFFFAOYSA-N 410.543 4.828 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)C[C@H]1SC(Nc2ccccc2Cl)=NC1=O 5891724 MNJHFMHCCLCTHG-OAHLLOKOSA-N 408.310 4.741 0 40 HJAB O=C(COC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(F)cc1 5938685 BEMFXOBTPGMCPL-DLBZAZTESA-N 412.486 4.891 0 40 HJAB CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 6706837 NZPGMWGKQAUMPD-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1ccc(F)cc1 7544827 UTYYYTAWBNIOHG-KRWDZBQOSA-N 403.432 4.883 0 40 HJAB Cc1cccc(C)c1N1C(=O)N(Cc2ccccc2F)c2ccccc2S1(=O)=O 7615874 KARGBQGIRRYKOC-UHFFFAOYSA-N 410.470 4.778 0 40 HJAB CCCCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 7738676 DFGZKXIFBNEUSL-UHFFFAOYSA-N 406.313 4.838 0 40 HJAB C[C@@H]1c2ccsc2CCN1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 7878922 LKSRGNADOLEVDA-OAHLLOKOSA-N 411.596 4.683 0 40 HJAB CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCCCC1 8428660 WZDZSOHQGIEMCS-UHFFFAOYSA-N 406.935 4.670 0 40 HJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@H]1CCSc2ccccc21 9349198 VQXOGBMYKDASFL-HNNXBMFYSA-N 417.943 4.835 0 40 HJAB CCN(CC)CCCNC(=O)C[C@H](C)CC(=O)N(c1ccccc1)c1ccccc1 9849801 QGJWUHKHRHHYSY-NRFANRHFSA-N 409.574 4.616 0 40 HJAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCC[C@H]1c1nc2ccccc2s1 9867908 BJYKEXGFUDQYFG-CKDFRHGISA-N 406.507 4.835 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 10188119 AFECQIRZJDOKMA-UHFFFAOYSA-N 421.859 4.798 0 40 HJAB COc1cccc(NC(=O)Cn2cc(-c3nnc(-c4ccco4)o3)c3ccccc32)c1 11695962 CEHWSSBMXSTRPL-UHFFFAOYSA-N 414.421 4.599 0 40 HJAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2cccc(Cl)c2Cl)C1 12748647 WFNHXFCCFTUMBK-LPQFERQCSA-N 403.309 4.884 0 40 HJAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)CCc1nc(-c2ccco2)no1 12773834 ZYFYJSMWYQTATC-UHFFFAOYSA-N 422.407 4.766 0 40 HJAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ccc(F)cc1Cl 12804284 AMWDRDHCNUTSDB-UHFFFAOYSA-N 419.890 4.618 0 40 HJAB COc1ccc(C)cc1CC(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 12875845 FPFJVADJNBBMSM-UHFFFAOYSA-N 406.404 4.552 0 40 HJAB CC[C@@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccc(Br)cc1 12900486 BNQAPHGGLDHAFG-QGZVFWFLSA-N 401.308 4.656 0 40 HJAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(OC(F)F)c(Cl)c1 12920674 UQNFUZGHDWDNJG-UHFFFAOYSA-N 417.239 4.744 0 40 HJAB O=C(Cc1coc2ccc3ccccc3c12)O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 12921121 MKUMKXKLHFKINP-XMMPIXPASA-N 417.436 4.831 0 40 HJAB COc1ccccc1-c1noc(CCCC(=O)Nc2ccccc2C(F)(F)F)n1 13483860 BGCYMTXJHRLUTP-UHFFFAOYSA-N 405.376 4.725 0 40 HJAB COc1cc(C)c(NC(=O)c2ccccc2OCCOc2ccccc2)cc1OC 14085568 JSBIYLSYFVFVME-UHFFFAOYSA-N 407.466 4.722 0 40 HJAB O=C(COC(=O)c1ccccc1NCCC1=CCCCC1)Nc1cccnc1Cl 15043124 JQFVDUXQUADPHU-UHFFFAOYSA-N 413.905 4.833 0 40 HJAB Cc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)s1 15809813 JTZJKSVYYRVDOA-NSHDSACASA-N 406.483 4.988 0 40 HJAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(C)c2)o1 16001187 GROMEFURSIBVNF-OAHLLOKOSA-N 409.577 4.989 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 17026568 NUCMGJNVVKVTRO-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)on1 19452860 WNLAKIYZMSXFLK-GFCCVEGCSA-N 406.408 4.713 0 40 HJAB Nc1ncnc2nc([C@@H]3CCCN(Cc4ccc(Cl)cc4)C3)cc(C(F)(F)F)c12 19743217 OWKGSBIENCYALF-CYBMUJFWSA-N 421.854 4.659 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCN(Cc2cccc3ccccc23)CC1 20720788 ZIVDXWXOKMLHEV-VWLOTQADSA-N 413.521 4.573 0 40 HJAB O=S(=O)(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1cccs1 24987802 NOVXFZKYYWVRKR-UHFFFAOYSA-N 401.387 4.722 0 40 HJAB Cc1c(C(=O)N(Cc2ccccc2)C2CC2)cnn1-c1ccc(Br)cc1 26313443 RJXGHPZJMFLJNZ-UHFFFAOYSA-N 410.315 4.748 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 31081095 SYDAFRZDOVOLON-UHFFFAOYSA-N 422.550 4.952 0 40 HJAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 32936623 QBRPTEJCHPOIMT-UHFFFAOYSA-N 413.477 4.702 0 40 HJAB CCc1cccc(C)c1NC(=O)Cn1cnc2c(-c3ccc(C)cc3)csc2c1=O 38651724 OOMIWJHABLFLIL-UHFFFAOYSA-N 417.534 4.943 0 40 HJAB COc1ccc([C@@H](C)NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1OC 40488465 JXQLLHVTMGFRIT-LLVKDONJSA-N 418.852 4.951 0 40 HJAB CCCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2s1 46058568 SCBDIXQJRQLTFU-UHFFFAOYSA-N 416.568 4.565 0 40 HJAB O=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCC[C@H]1Cc1ccccc1 58392219 VDLBIWPDOHKJLG-QHCPKHFHSA-N 411.505 4.761 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Br)cc3)o2)cc1 63887748 IBNOBRJZZIZZFG-UHFFFAOYSA-N 401.260 4.684 0 40 HJAB C[C@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 68713108 VJZUDPDBUWZMHP-GYCJOSAFSA-N 405.881 4.593 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(C)C)cc3)c2)c1 71962300 GHAXZZBVJTZDCP-UHFFFAOYSA-N 424.522 4.835 0 40 HJAB CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccccc2)n2nc(C)cc2N1 72332701 DTGHBSQGMFEQJE-HXUWFJFHSA-N 423.314 4.882 0 40 HJAB Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)n1 72353723 AYDFCQDJXXMPDQ-HXUWFJFHSA-N 420.532 4.659 0 40 HJAB CN(CCCC(=O)N1CCC[C@H](c2n[nH]cc2-c2ccccc2)C1)c1ccccc1 72380419 IFFOGJNZTMFXIZ-NRFANRHFSA-N 402.542 4.699 0 40 HJAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cnn(-c2nccs2)c1 89562762 PEKGSGVTIWDCGV-UHFFFAOYSA-N 401.904 4.666 0 40 HJAB COc1cccc(-c2ccc(C(=O)Nc3ccc(N4CC[C@H](OC)C4)cc3)cc2)c1 96122237 RCSKPNQFQSFOJO-DEOSSOPVSA-N 402.494 4.840 0 40 HJAB COc1ccc2c(c1)CN(C(=O)Nc1ccc([S@@](C)=O)cc1)[C@@H](c1ccccc1)C2 97164722 PEWZCDYAILAHPZ-DJUQAAIZSA-N 420.534 4.764 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 103284676 GYVCNUQHCIVRGB-RKAKKKFESA-N 420.347 4.519 0 40 HJAB Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)C[C@H]2C)c1 106588619 SAOYGWVUOAMNQH-IHMLTUKFSA-N 422.613 4.820 0 40 HJAB biogenic Cc1ccc(CN(C(=O)CSc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223807736 BXCLCMHBCNRDGI-FQEVSTJZSA-N 424.610 4.872 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 225009761 PMOCMZUDUTXSEP-UXHICEINSA-N 410.558 4.521 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 225134712 SJHMOSLODSHFAD-IRXDYDNUSA-N 418.990 4.764 0 40 HJAB O=C(NCCSCc1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 225310322 YCUNETKCIQGIFV-PGMHBOJBSA-N 422.575 4.569 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 225573975 IZDCASODRIEZOS-XUZZJYLKSA-N 424.585 4.713 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)Nc3cc(C)cc(C)c3)cc2)cc1 225983861 SUBZZJZCLWIWHT-UHFFFAOYSA-N 422.550 4.618 0 40 HJAB COc1ccccc1Cc1cnc([C@H]2CCCCN2Cc2ccc(C(=O)O)cc2)o1 257209272 BPSWYPSXGMVYCW-OAQYLSRUSA-N 406.482 4.699 0 40 HJAB COc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CCN(Cc4cscn4)CC3)CO[C@H]21 257272110 NBCKUGGFDHSGHC-PZJWPPBQSA-N 414.571 4.683 0 40 HJAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC(C)C)c(OC)c4)OCC[C@@]31C2 257292431 QLLLIJJRSWMPJF-VJNJQGDRSA-N 415.574 4.891 0 40 HJAB Cc1ccc(-c2nnc(CN(C)C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1 408713825 AAGIQJLDIMFHAZ-ZDUSSCGKSA-N 420.296 4.778 0 40 HJAB CCCCCC1=NN(C(=O)COc2cc(C)ccc2C(C)C)[C@@](O)(C(F)(F)F)C1 408953059 LLFVCHAKVWYOGG-FQEVSTJZSA-N 414.468 4.917 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2CC(C)C)cc1 409103863 HKENIFBUHJICRQ-UHFFFAOYSA-N 408.571 4.818 0 40 HJAB COc1ccc(C(=O)/N=c2\sc(C)c(-c3ccccc3)n2C)cc1Br 409196332 TXLGKFBHBBVRPI-VZCXRCSSSA-N 417.328 4.574 0 40 HJAB c1ccc(CCCN2CCOCCOc3ccccc3Oc3ncccc3C2)cc1 643563686 LZTUPWYCSFOVCA-UHFFFAOYSA-N 404.510 4.718 0 40 HJAB CCC(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(C(C)=O)c3)sc2c1 815674 GPIMIKAGMRTNEP-UHFFFAOYSA-N 413.524 4.578 0 40 HJAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC 937750 IPOJLYRUAKXYRE-MRXNPFEDSA-N 421.449 4.680 0 40 HJAB CCOC(=O)c1c[nH]c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2c1=O 1400640 QBEUHGIDKRUDJI-UHFFFAOYSA-N 412.751 4.564 0 40 HJAB COC(=O)c1ccc(COc2ccc3c(-c4ccc(OC)cc4)cc(=O)oc3c2)cc1 2114859 JQEZCARPXKDWAE-UHFFFAOYSA-N 416.429 4.834 0 40 HJAB biogenic CCOc1ccc(-n2c(N)c(C(=O)O[C@H](C)CC)c3nc4ccccc4nc32)cc1 2440996 LIISEBNGENBCDN-CQSZACIVSA-N 404.470 4.510 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 3224428 INSJOOWLQCMSKO-MRXNPFEDSA-N 413.901 4.925 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(F)cc1 3334897 KYHRROZMYBDWJR-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB CCCCOc1ccc(C(=O)NCc2nnc(SCC)n2-c2cccc(C)c2)cc1 4059349 IWWSOVCDGITNMZ-UHFFFAOYSA-N 424.570 4.797 0 40 HJAB COc1ccc(NC(=O)COc2ccc3ccccc3c2Br)c(OC)c1 5346963 LKTPBVLIBLBNAV-UHFFFAOYSA-N 416.271 4.637 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)OCCOc2ccc(Cl)cc2)cc1 7777541 VZDIYOJDRFQZFI-UHFFFAOYSA-N 401.846 4.760 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 9548812 BYDQSXYBHVTXBV-UHFFFAOYSA-N 420.947 4.734 0 40 HJAB CCC(=O)N(c1nnc(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)s1)C1CC1 9596038 DFQOXQPNWLBQGU-LBPRGKRZSA-N 415.544 4.655 0 40 HJAB C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)Nc1ccc2ccccc2c1 9995920 HPZVGFNWKLIEIG-CYBMUJFWSA-N 423.929 4.585 0 40 HJAB CCOC(=O)c1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1 12274593 SJZKEZNKLMFKFQ-UHFFFAOYSA-N 414.255 4.554 0 40 HJAB CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCc4ccccc4C3)c(O)n2n1 12341918 QXTBLPDFVOHTFK-IBGZPJMESA-N 424.957 4.860 0 40 HJAB CCOc1ccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)cc1 12419364 HTXBYXMVMFYZHH-UHFFFAOYSA-N 410.451 4.910 0 40 HJAB Cc1ccc(-n2cnnc2S[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1Cl 12524986 WIXNXSPNQOWUDZ-LJQANCHMSA-N 412.946 4.685 0 40 HJAB Cc1ccccc1CC(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 12776408 ZUMZGBGBWFQVMX-UHFFFAOYSA-N 412.533 4.643 0 40 HJAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c(Br)c1 15426187 UAVASKMDKFXCTG-HNNXBMFYSA-N 416.319 4.640 0 40 HJAB CCc1ccccc1NC(=O)CSc1nccn2nc(-c3ccccc3OC)cc12 16842069 RVXMLQMMHCMPOL-UHFFFAOYSA-N 418.522 4.698 0 40 HJAB O=S(=O)(Nc1nc2ccccc2nc1NC1CCCCC1)c1cccc(Cl)c1 17207169 YPHISSURNNBYKG-UHFFFAOYSA-N 416.934 4.829 0 40 HJAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 18126585 CVLPMAZXXKVYIN-FSSWDIPSSA-N 418.880 4.700 0 40 HJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(I)cc1C 20050577 ZAJDLULMEDYRCO-INIZCTEOSA-N 413.230 4.535 0 40 HJAB CCc1cc(Br)cc2sc(NC(=O)C(C)(C)Br)nc12 20133202 XJRQEXQHEXNDPE-UHFFFAOYSA-N 406.143 4.733 0 40 HJAB Cc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3n2)cc1 20609989 DJNYTHFPJPGJDF-UHFFFAOYSA-N 406.873 4.708 0 40 HJAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O 22705445 QGOJUVKBHZKLSQ-HXUWFJFHSA-N 416.264 4.616 0 40 HJAB COc1ccc(-c2nc(CSc3nc(C(F)(F)F)nc4ccccc34)no2)cc1 24047111 ZZOLFSUXLQCPPX-UHFFFAOYSA-N 418.400 5.000 0 40 HJAB CCC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 24977912 CWBRFSASRUHUSM-KUHUBIRLSA-N 407.341 4.639 0 40 HJAB CCCc1noc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)n1 25063020 QTLDLGUGEIEMTF-UHFFFAOYSA-N 412.906 4.611 0 40 HJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 28189581 NHWFZUVXYDNXMD-CYBMUJFWSA-N 405.907 4.576 0 40 HJAB O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 32475355 NBIYSJFNGSFRJN-DENIHFKCSA-N 422.912 4.691 0 40 HJAB C[C@H]1Oc2ccc(NC(=O)c3ccc(OCc4ccccc4Cl)cc3)cc2NC1=O 32624498 ZIOKRPBZMJOCEU-CQSZACIVSA-N 422.868 4.891 0 40 HJAB CC(=O)c1cc(C(=O)OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)n(C)c1 32901223 DQPIYJYEVGIRBU-UHFFFAOYSA-N 408.401 4.727 0 40 HJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 33572031 YTAPGSWUTCBCCG-XMMPIXPASA-N 416.521 4.764 0 40 HJAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 40080431 JWCYTQLEVPDTOW-MRXNPFEDSA-N 424.566 4.674 0 40 HJAB COc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1OC(F)F 40129001 HZDFVKMOPKLOIF-UHFFFAOYSA-N 423.466 4.693 0 40 HJAB CC(=O)c1cccc(NC(=O)CN[C@H](c2ccc3c(c2)CCC3)c2cccs2)c1 57381146 BNUMJGXMERAQMG-XMMPIXPASA-N 404.535 4.757 0 40 HJAB CCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2ccsc2c1=O 57425188 MSYMBLJBWUNAOD-UHFFFAOYSA-N 401.557 4.524 0 40 HJAB C[C@@H]1CC[C@@H]2[C@H](C)[C@H]3CC[C@H]4[C@H](C[C@@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1 70707870 NEMWYOKGHGSVSC-NPJTXOOUSA-N 415.662 4.563 0 40 HJAB COc1cccc(CN2CC=CC[C@@H](C3CCN(Cc4ccccc4)CC3)C2=O)c1 72371050 XAPIRXWUEPGRBN-VWLOTQADSA-N 404.554 4.512 0 40 HJAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCCc5ccccn5)cc34)co2)cc1 96154314 MOCRDAXMWMOFMO-UHFFFAOYSA-N 424.460 4.826 0 40 HJAB O=C(Nc1ccccn1)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F 96999944 DXJKRJYXZIRFNG-IBGZPJMESA-N 415.415 4.868 0 40 HJAB C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccccc1)c1ccccc1 97133820 NHVRUNYWWGBAAK-LYRCNOBKSA-N 402.538 4.737 0 40 HJAB COc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c(C)c1 98072976 CUXJQHJUEIFUEW-UHFFFAOYSA-N 424.238 4.586 0 40 HJAB Cc1ccc(CSCCNC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219455357 DYFVGWRSCOASLU-UHFFFAOYSA-N 418.562 4.938 0 40 HJAB CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1O 222661034 HKZAHQXWKJGSJG-XWIAVFTESA-N 403.935 4.819 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 223730651 XPPPBIWJGIXTNJ-XMMPIXPASA-N 408.586 4.960 0 40 HJAB CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)c(C)c2)cc1 224011046 DSSOPOBKRYKAAK-UHFFFAOYSA-N 424.522 4.619 0 40 HJAB COCc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)c1 224081748 CCXBBKFKOAVREB-UHFFFAOYSA-N 424.522 4.503 0 40 HJAB Cc1ccccc1CN(C(=O)CCc1ccccc1Cl)[C@H](C)C(=O)NCC(C)C 224138167 PBUVJOWOYGTBFI-LJQANCHMSA-N 414.977 4.771 0 40 HJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)c1 224230782 ZIQKSRZINQKGRX-WWPVKYPJSA-N 418.566 4.548 0 40 HJAB COc1cccc(OCc2cc(C(=O)Nc3cccc(C(C)=O)c3)ccc2OC)c1 224256283 CVCAFPROHZQNNG-UHFFFAOYSA-N 405.450 4.738 0 40 HJAB O=C(O)[C@H](Cc1ccccc1Sc1ccccc1)N1CCN(c2ccccc2)CC1 225150868 NFIQQJWYMLBYFW-QHCPKHFHSA-N 418.562 4.656 0 40 HJAB COc1ccc(CCNC(=S)Nc2c(C)cc(Br)cc2C)cc1OC 225193028 XIXSUWOFECPILK-UHFFFAOYSA-N 423.376 4.612 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)C)cc1 225627750 DLEFMWQJTIPGOU-INIZCTEOSA-N 421.368 4.786 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225715403 DGVTZKMVEXOKIA-QTDDQOEGSA-N 416.606 4.967 0 40 HJAB CCCCOc1ncc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C 225876325 DCDVMSNJKASVGQ-UHFFFAOYSA-N 402.922 4.909 0 40 HJAB O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCCC1 867012 IXSORWZQEOSZMV-CHWSQXEVSA-N 416.806 4.572 0 40 HJAB CCc1cc(I)ccc1NC(=O)COc1ccccc1Cl 1266756 KTGZZICWPYHWIM-UHFFFAOYSA-N 415.658 4.525 0 40 HJAB COc1cccc(C(=O)N(CC(C)C)c2nnc(-c3ccc(C)cc3)s2)c1OC 1356384 PXVAVWCYBCSBTJ-UHFFFAOYSA-N 411.527 4.834 0 40 HJAB Cc1nn(-c2ccccc2)c(NC(=O)c2ccco2)c(-c2ccccc2Cl)c1=O 2342486 OSNJDYYWQQNCEH-UHFFFAOYSA-N 405.841 4.707 0 40 HJAB CC(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4c(=O)o3)cc2)cc1 2434019 SSJOUGWGLMUQGR-UHFFFAOYSA-N 414.461 4.996 0 40 HJAB COc1cc(-c2nc3nc4ccccc4nc3n2C2CCCC2)cc(OC)c1OC 2440097 ZVTQBARWNQKASN-UHFFFAOYSA-N 404.470 4.787 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)NCc1cccs1 2654537 VTZOVRXDMNDFCM-UHFFFAOYSA-N 424.526 4.543 0 40 HJAB C[C@H](NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccccc1 3366227 INDVMLDTRLSURH-AWEZNQCLSA-N 407.470 4.754 0 40 HJAB CCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)cc1 4353963 CRTVDCCUWZXVCX-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB COC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12 4735806 ZVHNSCOPXOATBQ-UHFFFAOYSA-N 401.484 4.562 0 40 HJAB COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)n2)cc1 4890276 SSZVYNMTWGBRCK-OAHLLOKOSA-N 412.877 4.810 0 40 HJAB CC1(C)CC(=O)C2(Cc3ccccc3N3CCN(c4cccc(Cl)c4)C[C@H]32)C(=O)C1 4914052 UFCBDCIZTSMZSK-NRFANRHFSA-N 422.956 4.536 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)Cc2ccccc2)c1 5259017 GHJSEEZHFUCRPE-UHFFFAOYSA-N 403.869 4.529 0 40 HJAB COc1ccc(Br)cc1CN(C)C(=O)CCc1c[nH]c2ccccc12 5421697 RXPLDUUUDOTFLP-UHFFFAOYSA-N 401.304 4.530 0 40 HJAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1 6215449 WRVLZXRFKQXUGV-FQEVSTJZSA-N 400.478 4.775 0 40 HJAB Cc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 6753264 CTZBKXPHPAAJAO-DEOSSOPVSA-N 410.477 4.540 0 40 HJAB CCCCn1c(SCC(=O)c2ccc(OC)cc2)nc2sc(C)c(C)c2c1=O 6786373 RAISUZLXUSYREO-UHFFFAOYSA-N 416.568 4.859 0 40 HJAB CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 7928764 NQEHHBTZEAGACA-LSDHHAIUSA-N 401.890 4.821 0 40 HJAB COc1ccc(-c2nc(C)c(C(=O)NCc3ccccc3CN3CCCC3)s2)cc1 8075777 MJIOGICOHVYJPG-UHFFFAOYSA-N 421.566 4.653 0 40 HJAB Cc1oc2cc(OCC(=O)NC3CCCCCC3)ccc2c(=O)c1-c1ccccc1 8183698 JLHOPSWGJRLZAU-UHFFFAOYSA-N 405.494 4.986 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(Br)cc2)cc1C 8587454 HILDLAGOPOKTQG-ZDUSSCGKSA-N 416.275 4.522 0 40 HJAB CCOc1ccc(C(=O)/N=c2/sc3cc(Br)ccc3n2CC)cc1 8659655 KIXQORAHQLPCKM-CZIZESTLSA-N 405.317 4.625 0 40 HJAB O=S(=O)(c1ccc(Br)s1)N(Cc1ccco1)Cc1cccs1 9218382 AMSDNZAYABYKOL-UHFFFAOYSA-N 418.359 4.556 0 40 HJAB Cc1cc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)nc2ccccc12 9367723 RQFMNLKTSYFQOH-UHFFFAOYSA-N 419.550 4.946 0 40 HJAB COc1ccccc1C(=O)Nc1ccc(OCC(=O)N[C@@H](C)c2ccccc2C)cc1 9593077 MIRGWRHCHUXGTP-SFHVURJKSA-N 418.493 4.512 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 10541106 QHOZETBUJFTXMA-MDZDMXLPSA-N 423.900 4.956 0 40 HJAB CSc1ccc(C(=O)Nc2nc(-c3ccc([C@H](C)NC(C)=O)cc3)cs2)cc1 12047659 VARZEUFJBBFYLD-ZDUSSCGKSA-N 411.552 4.981 0 40 HJAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)ccc1OC(C)C 12601736 WRNRDOHNLFMPBW-RPAADVPWSA-N 405.498 4.736 0 40 HJAB COc1cccc(CN(C)C(=O)/C=C/c2ccc(SC(F)(F)F)cc2)c1OC 12800133 ZDTMGJFWUWBTGM-FMIVXFBMSA-N 411.445 4.988 0 40 HJAB CC(C)c1cccc(C(C)C)c1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 12864802 UVWKBMGBVFWPDG-UHFFFAOYSA-N 422.978 4.992 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1ccnn1Cc1ccccc1Br 12921469 SFIADPDIXQQZCY-UHFFFAOYSA-N 420.694 4.608 0 40 HJAB CC1CCN(Cc2csc(NC(=O)c3cccc(NC(=O)C(C)(C)C)c3)n2)CC1 12999305 QNRFKUVFMKLVOU-UHFFFAOYSA-N 414.575 4.612 0 40 HJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14397723 RUYCQQBWCSLTKL-INIZCTEOSA-N 402.922 4.893 0 40 HJAB Cc1sc2ncn(CCC(=O)Nc3ccccc3-c3ccccc3)c(=O)c2c1C 14856918 AAKYBSKMLRAQRH-UHFFFAOYSA-N 403.507 4.771 0 40 HJAB O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccoc1 16203487 WSWJYSSVPBAFIN-UHFFFAOYSA-N 411.266 4.640 0 40 HJAB COc1ccc(-c2cn3c(CCC(=O)Nc4ccc(N(C)C)cc4)csc3n2)cc1 16848850 JUCQKJDWXOYYAN-UHFFFAOYSA-N 420.538 4.709 0 40 HJAB Cc1ccc(Nc2nc(NC[C@@H]3CCCO3)nc3c2cnn3-c2ccccc2)cc1C 17052948 GJNHLFMNMMZHCI-FQEVSTJZSA-N 414.513 4.767 0 40 HJAB O=C(Cc1csc(NC(=O)NC2CCCC2)n1)Nc1ccc(Cl)c(Cl)c1 17149768 NWQRAOAUHBHFRG-UHFFFAOYSA-N 413.330 4.695 0 40 HJAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C4CCOCC4)C3)c(-c3cccnc3)c2c1 19220156 RDBUHWXFTDUEST-FQEVSTJZSA-N 403.526 4.671 0 40 HJAB Cc1scc(C(=O)N2CCC[C@H]2c2nnc(-c3nccc4ccccc34)o2)c1C 19561875 HBJSALZPOXXSKU-SFHVURJKSA-N 404.495 4.940 0 40 HJAB CC(C)n1c(CN2CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)nc2ccccc21 19688268 DIOOYBUCQGCERV-FQEVSTJZSA-N 414.557 4.792 0 40 HJAB Nc1nc(-c2ccccc2)nc2nc([C@H]3CCCN(C(=O)C4CCCCC4)C3)ccc12 19743390 IJPUCQDOHPUHPV-IBGZPJMESA-N 415.541 4.560 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2Cl)cc1 20459367 LKSDAGKTXYGFRG-UHFFFAOYSA-N 420.962 4.854 0 40 HJAB CCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)cc1 22907791 CPCODUCNHPYYQP-JOCHJYFZSA-N 406.551 4.676 0 40 HJAB FC(F)(F)c1nc(N2CCN(Cc3cccc4cccnc34)CC2)c2ccccc2n1 25062226 SHVGLRWSAPECRA-UHFFFAOYSA-N 423.442 4.519 0 40 HJAB CC(C)(C)c1ccc2c(Cl)c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)sc2c1 26965849 CNWGAJQCZOKZCI-UHFFFAOYSA-N 422.959 4.752 0 40 HJAB O[C@@]1(c2ccc(Cl)cc2)CN(c2ccc(OC(F)F)cc2)C2=[N+]1CCCCC2 27299330 ZSRACWZLCXXMJK-OAQYLSRUSA-N 407.868 4.592 0 40 HJAB CCc1ccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccn2)cc1 28286867 MHDQPSAGSYNAFT-UHFFFAOYSA-N 406.482 4.517 0 40 HJAB Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)oc2c1 28291664 WZYFYZJJHONXHQ-HXUWFJFHSA-N 424.928 4.712 0 40 HJAB Cc1ccc(-n2ncc([C@H](C)NC(=O)NCc3coc(-c4cccs4)n3)c2C)cc1 32803606 OBAUDFUXRGEEAX-HNNXBMFYSA-N 421.526 4.766 0 40 HJAB Nc1nc(SCC(=O)Nc2c(F)cccc2F)nc2sc3c(c12)CCCCC3 32945314 KLPCZVZHFFYDLU-UHFFFAOYSA-N 420.510 4.551 0 40 HJAB COc1ccc(Nc2ccccc2NC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)cc1 32981897 WIARCDLLNVCJDJ-QGZVFWFLSA-N 403.482 4.504 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2cc(F)c(F)cc2Cl)N2CCCCC2)cc1 33025994 YTJTWWBVAISKFD-HXUWFJFHSA-N 408.876 4.584 0 40 HJAB COc1ccc([C@@H](C)NC(=O)c2sc3ncccc3c2-n2cccc2)cc1OC 33298002 AQFGOGZHKZGFLV-CQSZACIVSA-N 407.495 4.595 0 40 HJAB COc1cc(C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)n[nH]2)cc(Cl)c1OC 40150962 NSXLVQFMRORFIU-UHFFFAOYSA-N 412.877 4.580 0 40 HJAB CCOC(=O)c1cccc(NC(=O)COc2ccc(C(C)C)cc2Br)c1 40942690 IPCYEYDTDYFBJF-UHFFFAOYSA-N 420.303 4.767 0 40 HJAB Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)Nc2cc(C)on2)cc1 44086444 LDRQLIQIDGRSNV-UHFFFAOYSA-N 404.495 4.875 0 40 HJAB CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2C)C1 44803649 XAMLLLYBYWCXAX-MRXNPFEDSA-N 424.932 4.845 0 40 HJAB CCOc1ccccc1CNC(=O)COc1ccc(C(C)C)cc1Br 44903998 VYSATTWHMYWEOO-UHFFFAOYSA-N 406.320 4.666 0 40 HJAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)C1 45887324 PMOHEXALVFYURG-LLVKDONJSA-N 419.264 4.718 0 40 HJAB COC(=O)C1(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)CCCCC1 58403046 KPMHXYWETSEVPJ-UHFFFAOYSA-N 400.525 4.631 0 40 HJAB Cc1ccc(F)c(NC(=S)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 71325957 YIKDFQUYXZZHNI-UHFFFAOYSA-N 421.563 4.508 0 40 HJAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)CN4CCCCC4)C3)c(-c3ccncc3)c2c1 72396630 SYHHILDUADPGGW-NRFANRHFSA-N 416.569 4.730 0 40 HJAB CN(Cc1ncc(-c2ccc(F)cc2)o1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95951875 LBOHRAKBQWXCHD-PXNSSMCTSA-N 407.272 4.878 0 40 HJAB O=C(Cc1ccccc1Cl)Nc1ccccc1Cc1nc(-c2cccnc2)no1 96102964 YWQWQFZEQHPOPU-UHFFFAOYSA-N 404.857 4.557 0 40 HJAB COCCn1ccc2ccc(C(=O)N[C@H]3CCCc4c3[nH]c3ccc(OC)cc43)cc21 96220930 AEVRZMAHBWJPRW-QFIPXVFZSA-N 417.509 4.585 0 40 HJAB biogenic O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 101028635 MUTCSHDRYWFKDV-DSITVLBTSA-N 420.468 4.891 0 40 HJAB CCSc1nc2n(n1)[C@@H](c1cccc(OC)c1OC)C1=C(O)CC(C)(C)CC1=N2 102680490 NHTVZYCMVADLRN-KRWDZBQOSA-N 414.531 4.715 0 40 HJAB CC1(C)CC(=O)C(C(c2ccc(Cl)s2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 102702324 VQUKXBMXFGZTNG-UHFFFAOYSA-N 408.947 4.634 0 40 HJAB C[C@@]1(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccccc4)o3)cc2)C[C@H]2C=C[C@H]1C2 108562805 VLELXPRFXRPXBK-VRXSFPRUSA-N 414.465 4.530 0 40 HJAB CCCOc1c(Br)cc(C(=O)OCC(=O)c2ccccc2)cc1OCC 108972577 OYRTVQCIRQLAND-UHFFFAOYSA-N 421.287 4.676 0 40 HJAB COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)[C@@H](C)c1ccccc1 170609304 DMRRQZOCACEOCW-JHQYFNNDSA-N 406.309 4.558 0 40 HJAB CN(C)c1nc(Oc2ccccc2)ncc1NC(=O)c1ccc(Cl)cc1Cl 206730874 DVIRQJBAWWGJDY-UHFFFAOYSA-N 403.269 4.894 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)NC(C)C)cc1 222647766 SXOCYMMXZAWGRZ-HSZRJFAPSA-N 412.549 4.653 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(C)c1 223083910 FSDWHYZHRNUBBG-ROUUACIJSA-N 400.950 4.523 0 40 HJAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)nc1 223086272 SGRADRCXJIEKHW-GOTSBHOMSA-N 417.582 4.881 0 40 HJAB Cc1cc(NC(=S)NCc2ccc(-c3ccccc3)o2)ncc1Br 223909659 MNDVXEKJTAZSGI-UHFFFAOYSA-N 402.317 4.899 0 40 HJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCOc1ccccc1 224061156 MLVFCPGLNICEPL-DEOSSOPVSA-N 424.585 4.612 0 40 HJAB CCc1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 224421888 DEBRWOXVSBHQBO-UHFFFAOYSA-N 422.550 4.630 0 40 HJAB COc1ccc(-c2nnc(NC(=O)CSCc3ccccc3Cl)s2)cc1 224610402 HQIHOQAJIPJXLD-UHFFFAOYSA-N 405.932 4.739 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 225156968 BDJUBYDYHVBOPM-OALUTQOASA-N 414.977 4.831 0 40 HJAB Cc1ccc2[nH]c(-c3ccc(C(=O)N4CCN(c5ccccc5F)CC4)cc3)nc2c1 225263581 WEMPYHDGDHNAFU-UHFFFAOYSA-N 414.484 4.640 0 40 HJAB C[C@@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)N[C@H](C)c3ccccc3)n2)C1 225963481 PLYUOIFKGJRODQ-ZIAGYGMSSA-N 423.508 4.779 0 40 HJAB O=C(CSc1ccc(F)cc1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 575615366 NXKRZDZFTNOKNU-UHFFFAOYSA-N 424.545 4.648 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc4cc(C)ccc4nc3Cl)C2)cc1OC 1303228 KOCXKEPFXWGFPN-HXUWFJFHSA-N 423.900 4.911 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1 2799515 JXFUMRFDBBWOAB-UHFFFAOYSA-N 406.410 4.681 0 40 HJAB O=C(NC(=S)Nc1nc(-c2cccc(Br)c2)cs1)C1CCCCC1 3281449 ZXIPVSFKFNMNDN-UHFFFAOYSA-N 424.389 4.966 0 40 HJAB COc1ccc(CN(C)C(=O)CSc2cc(C)c3cccc(C)c3n2)cc1OC 3408355 GVCQRMKRBHWQFF-UHFFFAOYSA-N 410.539 4.620 0 40 HJAB COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c(OC)c1 4079584 SMECQIIXLPHVKU-UHFFFAOYSA-N 406.463 4.938 0 40 HJAB Oc1ccc2c(c1)Oc1ncn3nc(Cc4ccccc4)nc3c1[C@H]2c1ccccc1 5186992 XXWYIXKREGTTSV-QFIPXVFZSA-N 406.445 4.707 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)C(C)(C)C)n2CCc2ccccc2)cc1 5326198 PDVIZOBBJRBQOS-UHFFFAOYSA-N 409.555 4.904 0 40 HJAB COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC2 5429402 IHDHYXCRCHQEJB-LBPRGKRZSA-N 409.313 4.568 0 40 HJAB O=C(NC1CCCCC1)N(Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 5626492 UCQISTKEGFNONQ-UHFFFAOYSA-N 424.932 4.621 0 40 HJAB Cc1cc(C(=O)CSc2nnc(C)n2-c2ccccc2)c(C)n1Cc1ccco1 6109251 HPOOIWBBAHQFMX-UHFFFAOYSA-N 406.511 4.610 0 40 HJAB Cc1nc(S[C@@H](C)C(=O)N2CCc3ccccc3C2)c2c3c(sc2n1)CCC3 6114046 FADCHJBYXBEPJK-ZDUSSCGKSA-N 409.580 4.554 0 40 HJAB CCOc1ccc(N(CC(=O)c2ccc(OC)c(OC)c2)C2=NCCCCC2)cc1 6870348 NJJPUNRLEGHFEV-UHFFFAOYSA-N 410.514 4.764 0 40 HJAB c1ccc(Cn2c(SCCCc3nc(-c4ccccc4)no3)nnc2C2CC2)cc1 7328965 MTAHHHMEEIOKKU-UHFFFAOYSA-N 417.538 4.979 0 40 HJAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(OCC)c(OCC)c1 7737423 WCDDELXVGWMRTE-UHFFFAOYSA-N 412.438 4.764 0 40 HJAB COc1ccc(N(Cc2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)noc2C)cc1 8166580 UYIIAMQTEINADA-UHFFFAOYSA-N 414.527 4.819 0 40 HJAB CC(=O)N(c1nc(/C=C/C(=O)N2CCCc3ccccc32)cs1)c1ccccc1F 9986396 URFKLWOBDQDNKE-OUKQBFOZSA-N 421.497 4.959 0 40 HJAB COc1ccccc1[C@H]1C[C@H](c2ccc(C)cc2)N(C(=O)c2ccccc2)c2ncnn21 10060416 VTYRYLZGKFKOIT-DHIUTWEWSA-N 424.504 4.976 0 40 HJAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@H](C)c1ccc(F)cc1F 10138390 QPKNVXFPHZRDPU-CQSZACIVSA-N 408.452 4.588 0 40 HJAB COc1ccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c(F)c1 10482790 MWUFDSJSIOZRMU-UHFFFAOYSA-N 415.468 4.676 0 40 HJAB Cc1ccc([C@H](C)CCN2CCN(c3c(F)cccc3[C@@H](O)c3cccnc3)CC2)o1 12089606 PDANRJHWMXIYOU-CJAUYULYSA-N 423.532 4.520 0 40 HJAB COC(=O)c1ccc(COC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1 12696660 CCUWRCMHDGEFHO-UHFFFAOYSA-N 424.453 4.678 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1 12930262 YHKNOCAUJIQGOA-ZDUSSCGKSA-N 406.404 4.768 0 40 HJAB CCn1c(C)cc(C(=O)CSc2nnc(-c3cccc(Br)c3)o2)c1C 13121006 UQIQAEBYAMZAHI-UHFFFAOYSA-N 420.332 4.912 0 40 HJAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(Br)c1 13634650 XUYNBZXOPKJXSJ-GOSISDBHSA-N 412.287 4.651 0 40 HJAB O=C(Cc1ccc2ccccc2c1)Nn1cnc2scc(-c3cccs3)c2c1=O 14240392 CDKMLTRLUHYJSA-UHFFFAOYSA-N 417.515 4.653 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 14398597 BJXZXNMEPZNZCE-UHFFFAOYSA-N 407.341 4.810 0 40 HJAB Cc1ccc2nc3c(cc2c1)CCN3S(=O)(=O)c1ccc(OC2CCCC2)cc1 15841900 MUGJZMKYEKLAGR-UHFFFAOYSA-N 408.523 4.616 0 40 HJAB CC(=O)N1N=C(c2ccc(Cl)cc2)Sc2c1nc(-c1ccc(C)cc1)n2C(C)=O 16777541 TZDMAWDVWRFYRJ-UHFFFAOYSA-N 424.913 4.992 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2ccc(F)c(Cl)c2)c1 19352589 SGBOEMZGOVLYRJ-SFHVURJKSA-N 409.910 4.952 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cc(-c3ccccc3)cc(C)n2)cc1OC 19690754 GIVFYMUCKAIYMR-HSZRJFAPSA-N 416.521 4.980 0 40 HJAB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccccc1C 19818179 JYFGYISWWSHUJH-YADHBBJMSA-N 419.525 4.506 0 40 HJAB Cc1ccc(C(=O)NC(Nc2ccc(Cl)cn2)(C(F)(F)F)C(F)(F)F)cc1 19944246 IBABFVRHIDMPIV-UHFFFAOYSA-N 411.733 4.706 0 40 HJAB COc1cccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)c1 20411937 AXLOUDJZVXNFRW-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB CC(=O)N[C@H](CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)c1ccc(Cl)cc1 24835566 ADVNMRGABWSBGG-OAQYLSRUSA-N 424.932 4.657 0 40 HJAB Cc1cccc(Nc2nnc(SCc3cccc(C(F)(F)F)c3)n(C)c2=O)c1C 28527316 LEZFDODXBVCYGL-UHFFFAOYSA-N 420.460 4.847 0 40 HJAB COc1ccccc1CN(C)C(=O)c1ccc(CN2CCc3ccccc3C2)cc1 38755239 JHSMPOLSAOSVFL-UHFFFAOYSA-N 400.522 4.526 0 40 HJAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC[C@@H]1COc2ccccc2O1 44869945 MGQIREDDPOVZLX-GFCCVEGCSA-N 419.264 4.527 0 40 HJAB Cc1ccc(C)c(C(=O)N2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 48278074 DBWNTCQNGKLPDT-UHFFFAOYSA-N 411.855 4.723 0 40 HJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(OC)cc1OC)CO3 61997686 DLTRGPVDYLNOOR-UHFFFAOYSA-N 423.509 4.813 0 40 HJAB biogenic Cc1nnc(Nc2cccc(C3CCN(Cc4ccc5ncccc5c4)CC3)n2)s1 72376160 VAXMVHOKZYGKKX-UHFFFAOYSA-N 416.554 4.913 0 40 HJAB O=C(/C=C/c1cc(Br)ccc1F)N1CCC[C@@H]1C[C@@H](O)c1cccs1 79045362 YLHRQPVBJUVBDA-XNHCWWPPSA-N 424.335 4.778 0 40 HJAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(-c2ccccc2)o1 79189141 IGHZMHVUJAATKT-UGKGYDQZSA-N 402.402 4.509 0 40 HJAB biogenic COc1ccc(CN(C)C(=O)c2nc(-c3cccc(C(F)(F)F)c3)[nH]c2C)cc1F 89547845 HBOMHRBBOATUGG-UHFFFAOYSA-N 421.394 4.824 0 40 HJAB Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)c2ccccc2n1 89582914 HVSBGHYXKKBDPO-OXJNMPFZSA-N 400.400 4.510 0 40 HJAB C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 90677503 QFVKHZGPQOFFBR-KRWDZBQOSA-N 401.462 4.911 0 40 HJAB CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 95483639 FNBXZQRPOLLYGF-FHWLQOOXSA-N 419.308 4.718 0 40 HJAB COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3OC)C2)c(OC)c1 95945319 AGDIWEMYBCDYOA-LJQANCHMSA-N 422.506 4.765 0 40 HJAB Cc1ccccc1NC(=O)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1 96037671 XQZQOKYQFUARJM-UHFFFAOYSA-N 401.514 4.516 0 40 HJAB CCN(Cc1ccccc1)C(=O)c1nc(-c2cn(C3CCCC3)cn2)n2ccccc12 96155142 FEGVSNMXHKTWKN-UHFFFAOYSA-N 413.525 4.975 0 40 HJAB NC(=O)N1C(=O)/C(=C(\O)c2ccc(Cc3ccccc3)s2)c2cc(Cl)ccc21 100944338 MWVYSGODOHSZAF-HNENSFHCSA-N 410.882 4.844 0 40 HJAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 210807038 DDIOFFIMOUXPGX-OQLLNIDSSA-N 421.305 4.977 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCSc1ccc(Cl)cc1 219674771 QEJZEZRQQOBDJZ-LBPRGKRZSA-N 414.752 4.778 0 40 HJAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)cc1 223793338 ZQEMNSRKPABHNS-FCHUYYIVSA-N 406.555 4.613 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1C 223929521 FRJTZSOCVYXMKM-JOCHJYFZSA-N 408.523 4.677 0 40 HJAB CCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224020315 SBKAVJWVOBFAAQ-LBPRGKRZSA-N 415.342 4.713 0 40 HJAB O=C(NC1CCCCCC1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224031074 OPKLFIRIZIBNKN-UHFFFAOYSA-N 406.935 4.593 0 40 HJAB CCc1cccc(CC)c1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)cc1 224301940 HRTZZDDKKOYQEM-JWGURIENSA-N 418.493 4.823 0 40 HJAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C 224528128 NEUMMCRFSIGHSG-VXKWHMMOSA-N 406.555 4.706 0 40 HJAB CCCC[C@H](CC)CNC(=O)CCCN(c1c(C)cccc1C(C)C)S(C)(=O)=O 224857573 NUCWSVLTPPBYSX-FQEVSTJZSA-N 424.651 4.997 0 40 HJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C(C)C 224895736 FSFHXPXTJMXVMB-UHFFFAOYSA-N 403.422 4.826 0 40 HJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1Cl 224949563 BCEAMSQFSDMTSL-PMACEKPBSA-N 412.946 4.866 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 225169563 CFPQWJRWRONTON-HZPDHXFCSA-N 421.368 4.868 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(OC)c3ncccc13)CC(C)(C)O2 225685047 ANYHJFVMUKBQQR-SFHVURJKSA-N 423.538 4.841 0 40 HJAB S=C(NCc1nc(-c2cccc(Br)c2)no1)Nc1cccc(Cl)c1 225825083 WEHCNSPNSLTRQY-UHFFFAOYSA-N 423.723 4.639 0 40 HJAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(N5CCCC5=O)cc4)OCC[C@@]31C2 257337027 YRAZYDULMOIGDY-UWKQBMHJSA-N 424.585 4.612 0 40 HJAB Cc1ccc(Oc2cc(-c3noc(-c4nnc(O)c5ccccc45)n3)ccn2)cc1C 545702152 RTSZHKICKKTVNO-UHFFFAOYSA-N 411.421 4.857 0 40 HJAB Cc1ccc(C(=O)CSc2nnc(COc3ccc(Br)cc3)o2)cc1 875925 DLNRZJMUGHECMC-UHFFFAOYSA-N 419.300 4.695 0 40 HJAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 1254546 JTAFQTRSVZOHBP-GOSISDBHSA-N 404.297 4.877 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)COc4ccc5ccccc5c4)cc3n2)cc1 1408933 HSDZCQFZMMVYSB-UHFFFAOYSA-N 424.460 4.600 0 40 HJAB COC(=O)c1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2c1 1782958 PMGTYRQPSKZJJL-UHFFFAOYSA-N 402.475 4.854 0 40 HJAB CCCCc1c(C)c2ccc(O[C@H](CC(C)C)C(=O)OC)c(C(C)=O)c2oc1=O 2180719 AQZUBIYUSMWQOA-LJQANCHMSA-N 402.487 4.613 0 40 HJAB O=C(Nc1nnc(SCc2ccccc2F)s1)c1ccc(OC(F)F)cc1 2653898 IEVQJFRBRDEMLD-UHFFFAOYSA-N 411.430 4.823 0 40 HJAB CCOc1ccc(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 3231734 HPDNOVFEVWNQLS-UHFFFAOYSA-N 402.661 4.841 0 40 HJAB Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(OCC(C)C)cc2)c1Cl 3354827 UMEQQMKWDAXVIQ-UHFFFAOYSA-N 411.285 4.527 0 40 HJAB COc1ccc(/C=C/C(=O)NCCc2csc(-c3cccc(C)c3)n2)cc1OC 4570850 MGLVAMZDCMEJSF-CSKARUKUSA-N 408.523 4.508 0 40 HJAB O=C1/C(=C\Nc2ccccn2)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 6191225 MJZUWRGJGWWRNG-SSZFMOIBSA-N 409.367 4.740 0 40 HJAB CCC(CC)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 6317898 YGGDIEJKZZMYSG-UHFFFAOYSA-N 414.962 4.985 0 40 HJAB COc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1Br 6846862 JZSDXFURICVEJV-UHFFFAOYSA-N 405.075 4.782 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(N2CCCCCC2)cc1 7239944 AKVUYIBLQSOJAS-XMMPIXPASA-N 403.526 4.970 0 40 HJAB C[C@@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1ccc(Cl)c(Cl)c1 7346466 OIPZJRXPPCTRFK-CYBMUJFWSA-N 409.338 4.892 0 40 HJAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 7881867 JJTKORNAJUVOSH-SNVBAGLBSA-N 413.688 4.647 0 40 HJAB CC(C)Oc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 9062718 DMLOVTCREFBQFV-UHFFFAOYSA-N 412.549 4.574 0 40 HJAB COc1cc(CSc2nnc(NC(=O)Nc3ccc(F)cc3)s2)cc(OC)c1 9323980 NWUBQMMWTHIFFE-UHFFFAOYSA-N 420.491 4.631 0 40 HJAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 9622710 SJWCVSVFFAAZEG-UHFFFAOYSA-N 410.520 4.884 0 40 HJAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ncc(Cl)cc1Cl 9639227 OXHGIPKBIWFRHZ-UHFFFAOYSA-N 420.325 4.577 0 40 HJAB CCc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccccc1C 9855940 ZZWAZNKUKNMNDA-UHFFFAOYSA-N 424.500 4.742 0 40 HJAB COc1ccc(SCCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 10219574 MTQUXOJMTHXUFP-UHFFFAOYSA-N 414.508 4.668 0 40 HJAB Cc1ccc(-c2cnc(CCC(=O)N3CCN(c4cccc(C)c4C)CC3)o2)cc1C 11258184 UKHJHNZPVPGHKJ-UHFFFAOYSA-N 417.553 4.857 0 40 HJAB Cc1cccc(-n2c(SCC(=O)N3CCCC[C@H]3C)nnc2-c2ccccc2)c1 12350058 OAGKVBAMZLVTNL-GOSISDBHSA-N 406.555 4.736 0 40 HJAB O=C1Nc2ccc(F)cc2[C@@]12Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 12377357 ZDKMMHCNQMTIRP-NFBKMPQASA-N 419.843 4.828 0 40 HJAB O[C@H](Cn1c(-c2cscn2)nc2ccccc21)c1cccc(Br)c1 12525325 GJXPKRCKGTVRCA-QGZVFWFLSA-N 400.301 4.656 0 40 HJAB Cc1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1Cl 12789933 JDNMFVPUMHIQFK-UYRXBGFRSA-N 405.845 4.532 0 40 HJAB COc1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c(OC)c1 13028789 HHNORALOUUKKDA-UHFFFAOYSA-N 424.522 4.521 0 40 HJAB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)s2)c1 13519083 UYPNTSPSYKLYIK-UHFFFAOYSA-N 421.931 4.607 0 40 HJAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1Cl)c1cccc(F)c1F 13992441 FYRKBLHORGLESZ-SFHVURJKSA-N 401.844 4.670 0 40 HJAB COc1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1OCc1c(C)noc1C 15077327 DUDJXRVGGXUBCC-UHFFFAOYSA-N 404.825 4.924 0 40 HJAB COc1ccc(NC(=O)CSc2ncc(-c3cccc(Cl)c3)o2)c(OC)c1 16841018 YHCITTAIIVAUCK-UHFFFAOYSA-N 404.875 4.743 0 40 HJAB COc1cccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCCC2)c1 19565420 DDAYYHGUZZGCHO-HJOGWXRNSA-N 424.610 4.763 0 40 HJAB CCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 22110504 JWBMBPKKCYNPLI-UHFFFAOYSA-N 422.913 4.627 0 40 HJAB O=C(Nc1cccnc1-n1cccn1)c1nc(Cl)c(Cl)c(Cl)c1Cl 23170867 PZSKHOWGNUJMNV-UHFFFAOYSA-N 403.056 4.528 0 40 HJAB O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCN(Cc2ccsc2)CC1 23995545 HPESOBZBSHWAQA-UHFFFAOYSA-N 403.507 4.514 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 24393085 RCKDIQAPYZWDSU-NRFANRHFSA-N 416.562 4.786 0 40 HJAB Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4cccnc4-n4cccn4)cc3)o2)c1 25011937 YSJRREZKYKXVSB-UHFFFAOYSA-N 422.448 4.545 0 40 HJAB CS(=O)(=O)c1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 25608515 DJQNNVVRHQFNMI-UHFFFAOYSA-N 421.474 4.668 0 40 HJAB O=S(=O)(Cc1ccccc1)Oc1ccc2c(-c3cc(F)c(F)c(F)c3)noc2c1 32073950 BCFVYYZFGHCLCS-UHFFFAOYSA-N 419.380 4.821 0 40 HJAB CC(=O)NCCc1ccc(-c2csc(NC(=O)[C@@H]3CCCc4ccccc43)n2)cc1 32760075 JHPPNEYEZBMNMM-OAQYLSRUSA-N 419.550 4.547 0 40 HJAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 33743107 UTDHEJWHYISGSM-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 34875887 KCRBNBXSVZYWPF-IUXPMGMMSA-N 404.850 4.674 0 40 HJAB CCOc1c(Br)cc(CN[C@@H](C)Cc2ccco2)cc1Br 35254559 UNZOTHYXPDLVRM-NSHDSACASA-N 417.141 4.924 0 40 HJAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC1=O 35316753 NJUXDUMRPKWYTE-LJQANCHMSA-N 418.468 4.705 0 40 HJAB C[C@@H](C(=O)Nc1cccc2ccccc12)N1CCC[C@H]1c1ccc2c(c1)OCCO2 36389541 AIWFZJWTBLAVSI-JTSKRJEESA-N 402.494 4.775 0 40 HJAB CC(C)c1ccc(CCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 40140881 ARYIZUDZEHNFSO-UHFFFAOYSA-N 406.448 4.859 0 40 HJAB COc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2ccc(Cl)cc2)cc1 44087541 ITWQXJHSGKPSDM-UHFFFAOYSA-N 415.946 4.818 0 40 HJAB C[C@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccc(Cl)c(Cl)c1 58171784 HUQKQDCMUHFNCA-ZDUSSCGKSA-N 406.313 4.999 0 40 HJAB COc1ccc2cc([C@H](C)C(=O)Nc3cccc(N4C(=O)NC[C@@H]4C)c3)ccc2c1 58305314 VSBRGKMEXKDPDO-HOTGVXAUSA-N 403.482 4.509 0 40 HJAB COc1c(C)cccc1CN1CCC([C@@H](NC(=O)C(C)(C)C)c2nccs2)CC1 72394611 DIOVKHMCSOHPLF-LJQANCHMSA-N 415.603 4.576 0 40 HJAB COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1 89638828 PFLFTFOCWZOKGC-DEOSSOPVSA-N 420.534 4.852 0 40 HJAB CCc1noc(-c2ccc(NC(=O)[C@@H](CC)Oc3ccccc3F)c(Cl)c2)n1 97108771 HNNVQMCSVJDNRR-MRXNPFEDSA-N 403.841 4.888 0 40 HJAB O=C(Nc1ccc2c(c1)OCCCO2)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102869149 OBAFBNVJRWXTIF-RCRDTURJSA-N 406.320 4.520 0 40 HJAB C[C@@H](NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103100091 QLKRCHVENNKNSU-VIPLHTEESA-N 403.950 4.636 0 40 HJAB O=C(O)c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)o1 106681230 ROUUIDIGROCFMV-UNOMPAQXSA-N 405.431 4.881 0 40 HJAB COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1C 215233602 QHJNCUPGTKGTJI-NGYBGAFCSA-N 417.870 4.622 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C 222484047 NCBLSPUJSRCADX-YKSBVNFPSA-N 424.585 4.577 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 223174501 IBKBZYGJPWIYLU-IBGZPJMESA-N 414.977 4.915 0 40 HJAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224114357 ZMESBZHZYOMUGB-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB CC[C@@H]1N=C(c2ccc(OC)c(OC)c2)c2cccn2-c2cc3c(cc21)OCCO3 225375454 IDHUJXISQJJLSM-KRWDZBQOSA-N 404.466 4.568 0 40 HJAB C[C@@H]1CCCC[C@@H]1N1C(=O)[C@H](CC(=O)Nc2ccccc2F)n2c1nc1ccccc12 248120445 RKURYZYBBQHUCF-JJXUHFIVSA-N 420.488 4.671 0 40 HJAB Cc1ccc(Oc2ccccc2C(=O)NS(=O)(=O)c2cccc(Cl)c2C)cc1 257232513 GLDZWECEJUCRJW-UHFFFAOYSA-N 415.898 4.868 0 40 HJAB Cc1ccc2nsnc2c1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 408572520 JERSWOVRNFDCQL-UHFFFAOYSA-N 418.547 4.645 0 40 HJAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(I)cc2)c1 408778124 BMPNFQSQULTYPT-UHFFFAOYSA-N 411.308 4.780 0 40 HJAB CCC(=O)Nc1cc(OC)c(C(=O)O[C@@H](CC)C(=O)c2ccccc2)cc1Cl 409181950 GZQNNSHCOXTDKY-KRWDZBQOSA-N 403.862 4.515 0 40 HJAB O[C@@H](C1CCN(c2nc(-c3ccccc3C(F)(F)F)cs2)CC1)C(F)(F)F 531966222 RYAVHTHXCNSCFL-AWEZNQCLSA-N 410.383 4.969 0 40 HJAB O=C(Nc1ncc(Cc2ccccc2)s1)c1cnn2c(-c3ccccc3)ccnc12 642286508 FGYSQAMVKMJCLX-UHFFFAOYSA-N 411.490 4.696 0 40 HJAB CCCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 1541108344 PJINUEDWUHNVHW-PMACEKPBSA-N 411.542 4.964 0 40 HJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1ccccc1Br 1775977698 KGIUFPSFGYDMOB-KRWDZBQOSA-N 402.313 4.641 0 40 HJAB Cc1ccc(C(=O)N2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)cc1F 2037912639 SABKLSSCTPLKOH-QHCPKHFHSA-N 419.924 4.841 0 40 HJAB COc1cccc(C(=O)N[C@H](Cc2ccccc2)c2ccc3c(c2)OCCCO3)c1 668080 LNEDBGAPCZLNAJ-JOCHJYFZSA-N 403.478 4.570 0 40 HJAB aggregator CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl 717908 CLUIFIYJPFSGHT-QGZVFWFLSA-N 405.281 4.664 0 40 HJAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 724737 OGPZJQRNCLOISZ-UHFFFAOYSA-N 405.932 4.864 0 40 HJAB CC(C)OC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(F)cc2)sc2c1CCCC2 1067934 YGRAYSKFBWRSSZ-ZDUSSCGKSA-N 405.491 4.737 0 40 HJAB O=C(C[C@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1cc2ccccc2o1 1076383 CLEOVMPJRBCEKB-HWOQGQEBSA-N 423.468 4.953 0 40 HJAB Fc1cccc(-c2c(-c3nnnn3-c3ccccc3)cnn2-c2ccc(Cl)cc2)c1 1324029 UVVWKJVEJBNAAC-UHFFFAOYSA-N 416.847 4.975 0 40 HJAB OC(CNc1ccnc2cc(Cl)ccc12)CNc1ccnc2cc(Cl)ccc12 1686975 ALJKMVZFTOFZCQ-UHFFFAOYSA-N 413.308 4.975 0 40 HJAB CC(C)CCSc1nnc2n(C)c(=O)c3c4c(sc3n12)C[C@H](C(C)(C)C)CC4 1837629 UHLUGDTXKZWCAC-CYBMUJFWSA-N 418.632 4.932 0 40 HJAB CCc1ccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1 2255928 GKWAUURFWWFJKJ-UHFFFAOYSA-N 402.498 4.921 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 2444355 RNUIAVVTCSLQBQ-UHFFFAOYSA-N 424.570 4.909 0 40 HJAB O=C(c1cc(F)c(F)c(F)c1F)N(C[C@H]1CCCO1)c1nc2ccccc2s1 2654830 MLGVNLMDIODWIH-SNVBAGLBSA-N 410.392 4.679 0 40 HJAB Cc1cc(C)n(-c2cnc3c(-c4ccccn4)cnn3c2-c2ccc(Cl)cc2)n1 4053872 SXOAWDCLOWWLBS-UHFFFAOYSA-N 400.873 4.914 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CSC3)cc1OC 4223633 FMKCTDLDWNGXTE-YRNVUSSQSA-N 421.522 4.597 0 40 HJAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)CCc3ccccc3)cc2)cc1 4554925 YKPCSOBVTJVJLS-UHFFFAOYSA-N 402.446 4.573 0 40 HJAB Cc1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2N2CCN(C)CC2)c1C 4614705 DSLDGGZOHKZUKQ-GYHWCHFESA-N 412.990 4.603 0 40 HJAB CC[C@H](Sc1nnc(-c2ccc(N)cc2)n1CC)C(=O)Nc1ccc(Cl)cc1 4676084 KYKNNESZZDDJBQ-KRWDZBQOSA-N 415.950 4.710 0 40 HJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 5094315 LPIZXQNOHJSLLJ-UHFFFAOYSA-N 402.338 4.687 0 40 HJAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc(Cl)cc1Cl 5267986 KTAHIUINDJLUDQ-UHFFFAOYSA-N 404.297 4.902 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269324 APPXOHCNUHMONV-UHFFFAOYSA-N 406.791 4.821 0 40 HJAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)n2nnc3ccccc32)cc1 5560482 FIOWVHUMECJJFP-FOCLMDBBSA-N 405.461 4.946 0 40 HJAB CCOc1ccccc1-c1nc(C(=O)NC[C@H]2CCCO2)cc2c1[nH]c1ccccc12 5907534 YBWUNJJLFXHCLN-MRXNPFEDSA-N 415.493 4.691 0 40 HJAB biogenic CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cc1 5949796 DHDOBKWFQSNYMT-OAHLLOKOSA-N 413.543 4.585 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 6152536 JNTQKESTUOHYBP-UHFFFAOYSA-N 422.550 4.943 0 40 HJAB COc1cccc([C@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2cccc(C)c2)c1OC 6679109 XCFCAEKIYBVCFL-QVKFZJNVSA-N 423.538 4.670 0 40 HJAB CCOc1cc(/C=C/c2nc3ccccc3s2)cc(Cl)c1OCC(=O)N(C)C 6788720 GCNLDBBKMPGMBA-MDZDMXLPSA-N 416.930 4.986 0 40 HJAB COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\Sc3nnc(C)o3)C(=O)O)c2c1 7603660 RDRDNOKILFXVPX-WQRHYEAKSA-N 407.451 4.753 0 40 HJAB COc1ccc(CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C2CC2)cc1 9516012 SLSGVNXOVLMSML-UHFFFAOYSA-N 424.504 4.748 0 40 HJAB Cc1cccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)c1 9569454 MZYRYBSZDUGJEI-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB O=C(CSc1nnc(C2CC2)o1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 9951651 IPRFKKABLXWQOX-UHFFFAOYSA-N 417.494 4.531 0 40 HJAB CC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(C)cc3)=NN12 10213815 CLYVXKSPYFNVQC-NRFANRHFSA-N 409.917 4.531 0 40 HJAB Cc1noc(C)c1COc1ccccc1C(=O)OCc1cc(-c2ccccc2)on1 11205422 MLNXPQIRQCESDW-UHFFFAOYSA-N 404.422 4.882 0 40 HJAB Cc1cc(C)c(NC(=O)COc2cc(C(C)(C)C)nn2-c2nc(C)cc(C)n2)c(C)c1 12443788 LSLYBXUBVDGWCW-UHFFFAOYSA-N 421.545 4.519 0 40 HJAB CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nc3ccccc3n2C(F)F)cc1 12535810 FIIJOSHTGHMFFU-GFCCVEGCSA-N 403.454 4.604 0 40 HJAB C[C@@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)NCC1CCCCC1 12696949 QILHDFQOMDWNOE-GFCCVEGCSA-N 424.364 4.676 0 40 HJAB CCn1c(S[C@@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1ccc(OC)cc1 12777635 IHQFZHJWVKZSIU-ZDUSSCGKSA-N 401.919 4.991 0 40 HJAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccc(Br)cc1 12791798 IHRFDOYQVHMAMU-UHFFFAOYSA-N 407.214 4.954 0 40 HJAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1 12914942 FTUJSOQFSHVHCT-KDOFPFPSSA-N 406.429 4.568 0 40 HJAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)N1C[C@@H](C)C[C@@H](C)C1 13838418 KXGHORBXHRQSGF-LEHBWIKQSA-N 415.537 4.526 0 40 HJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 14792762 CATGHKFPKOIOHO-SJORKVTESA-N 406.457 4.723 0 40 HJAB Cc1nn(-c2ccccc2)c(OC(=O)c2cccs2)c1NC(=O)c1cccs1 15108532 HSEOXGZKTFRMQE-UHFFFAOYSA-N 409.492 4.775 0 40 HJAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1 17090704 DUXVXCUYVQWNIZ-UHFFFAOYSA-N 416.506 4.674 0 40 HJAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C[C@H]2C=CCC2)C1 19591061 FIBODCOWCPLBKL-DFBJGRDBSA-N 422.594 4.669 0 40 HJAB COc1ccc(Cc2cc(C)nc(C3CCN(C(=O)[C@H]4CC45CCC5)CC3)c2)cc1 19691743 CLOKAOMBQCJDQC-HSZRJFAPSA-N 404.554 4.886 0 40 HJAB NC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C2CCCCC2)CC1 19700409 GMQWYODZZAYGFQ-UHFFFAOYSA-N 404.554 4.571 0 40 HJAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1cccc(OCc2ccccc2)c1 20144954 YLQZUDVUBXLHCJ-UHFFFAOYSA-N 411.841 4.878 0 40 HJAB Cc1cc(NC(=S)NC(=O)c2cc3ccccc3o2)ccc1-c1ccc(CO)o1 20152395 VZLTXXMGFTYKSJ-UHFFFAOYSA-N 406.463 4.620 0 40 HJAB C[C@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)NCCc1ccccc1 22189164 VQSMVQZDARRSRK-INIZCTEOSA-N 403.507 4.729 0 40 HJAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)COC(=O)c2ccc(C)nc2)cc1 23519382 IWFYTDLYJROXDM-UHFFFAOYSA-N 410.857 4.940 0 40 HJAB COc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccc(C)cc1 28527842 VIIKLRPZQJJIIF-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB COc1cc(C(=O)Nc2nc3ccc(C)cc3s2)ccc1OCc1cscn1 30572629 FXISKLUESKKBBX-UHFFFAOYSA-N 411.508 4.901 0 40 HJAB CCCN(C(=O)CSc1nnc(-c2ccc(OCC)cc2)o1)C1=CCCCC1 32719354 WLRFDBARRSJWQD-UHFFFAOYSA-N 401.532 4.924 0 40 HJAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1C(=O)c1cc2c(s1)CCC2 33134177 RLGPCXJTNDHGIL-OAHLLOKOSA-N 409.338 4.787 0 40 HJAB CCC(=O)c1cn(CC(=O)N[C@@H](CC)c2ccc3c(c2)OCCCO3)c2ccccc12 35511657 SEBRGQCCWHWRQO-FQEVSTJZSA-N 420.509 4.663 0 40 HJAB CCCC(=O)N1c2ccccc2-c2nnc(SCC)nc2O[C@H]1c1ccsc1 36245344 DONZDTJIBCTYJO-IBGZPJMESA-N 412.540 4.936 0 40 HJAB COc1cccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4ccn(C(C)C)n4)c23)c1 36619474 JLKDAJIDSXCMNT-UHFFFAOYSA-N 417.469 4.806 0 40 HJAB COC(=O)c1ccc(Nc2nc(Nc3ccc(OC)cc3)c3ccccc3n2)cc1 39370715 FLTGJXUQQOUGBJ-UHFFFAOYSA-N 400.438 4.912 0 40 HJAB Cc1c(C(=O)NCc2ccnc(Oc3ccccc3)c2)[nH]c2c1C(=O)CC(C)(C)C2 40110647 NDVZXOBMPQOZRZ-UHFFFAOYSA-N 403.482 4.596 0 40 HJAB CC(=O)c1oc2ccccc2c1NC(=O)CN[C@H](C)c1ccc(Br)cc1 57332376 UDBMGJWQRFGELD-GFCCVEGCSA-N 415.287 4.687 0 40 HJAB C[C@H](N[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Cl 57405933 ACBAQSNJBWUMHR-LSDHHAIUSA-N 422.356 4.508 0 40 HJAB COc1cc(NC(=O)[C@H](C)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc(OC)c1 58135658 SWSJDFCVXLWKEM-UUOWRZLLSA-N 404.510 4.718 0 40 HJAB COc1c(Br)cc(Br)cc1C(=O)Nc1cccnc1Cl 59294047 DEJSDPVVCLOGAV-UHFFFAOYSA-N 420.488 4.521 0 40 HJAB Fc1cccc(-c2nnc([C@@H]3CC34CCN(c3ncnc5sccc35)CC4)o2)c1 71890503 IYISHFYASYIDKD-INIZCTEOSA-N 407.474 4.655 0 40 HJAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(Cc3ccc4[nH]ccc4c3)C2)n1 72346262 XKDBJHDMBWXGLR-LJQANCHMSA-N 401.489 4.726 0 40 HJAB Cc1nc(CNC(=O)Cc2nc(-c3ccco3)oc2C)oc1-c1ccc(Cl)cc1 79074114 XUAIMFNSKBKDJJ-UHFFFAOYSA-N 411.845 4.719 0 40 HJAB O=C(c1cccc2ccccc12)N1CCC(Oc2ncccc2Br)CC1 96096948 AKFRSHSNOPXWLD-UHFFFAOYSA-N 411.299 4.681 0 40 HJAB O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccccc1)N2)c1ccc(F)cc1 101026061 YAGIMAIBHINPKF-OAQYLSRUSA-N 411.440 4.726 0 40 HJAB COc1ccc([C@@H]2Nc3ccccc3-c3nc(=O)c(-c4ccc(C)c(C)c4)nn32)cc1 101087115 ZARLHITUZBBVOM-HSZRJFAPSA-N 410.477 4.570 0 40 HJAB COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1cc(-c3ccc(Cl)cc3)on1)cn2C 141584604 YRYJGZNAFQEGFX-CQSZACIVSA-N 423.900 4.856 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCC[C@H](C)C4)cc3)n2)c1 219241352 IKOABMAOSVZAPD-IBGZPJMESA-N 418.541 4.549 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 223024881 VHZIKNGIUZXWHI-IBGZPJMESA-N 405.922 4.918 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCN1CCCc2ccccc21 223036210 XHJMKNUJIYDYEC-JOCHJYFZSA-N 400.950 4.765 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(C(C)C)cc3)c2)cc1 224095761 JXQYGEKPOYTBOS-UHFFFAOYSA-N 422.550 4.849 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)cc1 224112330 PXBGBDGUDYNSBC-HXUWFJFHSA-N 412.599 4.585 0 40 HJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc(OC)c(C)c1 224141778 WWAKUCGHWXRCEK-RDTXWAMCSA-N 406.320 4.801 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)c(C)c1 224194236 VSOHGLHIWCYQDB-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCCNc1ccccc1 225033843 TXSSUWJKLILZJY-VQTJNVASSA-N 408.596 4.926 0 40 HJAB CCOc1ccc(C2(NC(=S)Nc3ccc(C(=O)N(C)C)cc3)CCCC2)cc1 225871455 SIWYMOMLKUBJCC-UHFFFAOYSA-N 411.571 4.543 0 40 HJAB CC1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 226070615 CRNHTLFDMHDABQ-NRFANRHFSA-N 405.623 4.770 0 40 HJAB Cc1ccc2c(c1)OC1(CCN(Cc3cccc(C(=O)O)c3)CC1)[C@H]1CCCO[C@H]21 257248699 JEUYWCKHEHVRIB-JTHBVZDNSA-N 407.510 4.588 0 40 HJAB O=C(c1ccccc1-c1ccccc1)N1CCOC[C@H](Cc2cccc3[nH]ncc23)C1 257337315 YSHSPUGOLMDXQR-LJQANCHMSA-N 411.505 4.561 0 40 HJAB COc1ccccc1/C=C/CN1CCO[C@@H](c2ccc(Nc3cccc(C)n3)cn2)C1 257341979 ZMPMZJRSQDDWLJ-CCWPHWCFSA-N 416.525 4.624 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)ccc1O[C@H](C)CC 260812516 DTGPZUQWSLAFEL-QZMQVMSPSA-N 405.535 4.965 0 40 HJAB CCOC(=O)c1c(NC(=O)CSCc2ccc(C)cc2)sc2c1CCCC2 409111667 BWMOPMRXNWPPDO-UHFFFAOYSA-N 403.569 4.984 0 40 HJAB O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1cccc(Oc2ccccc2)c1 514298711 QAHYNVHNXLDKOA-UHFFFAOYSA-N 402.479 4.995 0 40 HJAB CCc1sc(NC(=O)c2cccc(NC(=O)N(C)C)c2)nc1-c1ccc(OC)cc1 606842178 ATRNQBFWFPCHPT-UHFFFAOYSA-N 424.526 4.727 0 40 HJAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(C(=O)C(F)(F)F)c1ccccc1 1365813 VXLTURWUSGFVPR-KRWDZBQOSA-N 410.461 4.834 0 40 HJAB COC(=O)Cc1c(C)c2ccc(OCc3c(C)c(C)c(C)c(C)c3C)cc2oc1=O 2096508 LJACDNPYTOSEGL-UHFFFAOYSA-N 408.494 4.938 0 40 HJAB biogenic Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1-c1ccc(F)c(Cl)c1 2247740 KSWIQJXRPMKPFX-UHFFFAOYSA-N 423.879 4.621 0 40 HJAB COCCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2ccccc21 2624536 KLHXVGJJAGUWAR-UHFFFAOYSA-N 410.326 4.720 0 40 HJAB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)o2)ccc1Br 3497244 LJKUAWYYBKPBJK-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB N=c1oc2c3c4c(cc2cc1C(=O)Nc1ccc(F)cc1Cl)CCCN4CCC3 4193215 SBKOAZMDHPIMIF-UHFFFAOYSA-N 411.864 4.656 0 40 HJAB O=c1c2c(nc(SCc3ccccc3Cl)n1Cc1ccccc1)CCS2 4358761 MCZUBFPAOGPLJG-UHFFFAOYSA-N 400.956 4.886 0 40 HJAB COc1ccc(Nc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)s2)cc1 4838940 WSPJYHXTKAFAQT-UHFFFAOYSA-N 414.556 4.946 0 40 HJAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3nnc(-c4ccccc4)o3)c2C)cc1 5021025 HCSSSACNOLWIDX-UHFFFAOYSA-N 419.510 4.578 0 40 HJAB C/C(=C\c1ccccc1)[C@]1(C(=O)NC2CCCC2)CC(=O)N1c1ccc(C)cc1C 5483221 MOUPTDCVRGSAEH-WFTVZMDTSA-N 402.538 4.941 0 40 HJAB CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(Br)cc2)C1=O 5557839 FPCNWCTYTLBQMX-YBEGLDIGSA-N 404.285 4.694 0 40 HJAB O=C(c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCCc2ccccc21 5948393 FXIWPMWMNLGBND-QAPCUYQASA-N 416.403 4.729 0 40 HJAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2F)o1 6159294 WQOZRGUHWWFCNL-CQSZACIVSA-N 413.540 4.820 0 40 HJAB CCCCCCn1c(O)c(C(=O)Nc2ccc(F)c(F)c2)c(=O)c2ccccc21 6472170 BZJUPLJUTJZYJP-UHFFFAOYSA-N 400.425 4.818 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCCSc2nc3ccccc3s2)cc1 6510608 ULAKMOJNYCVDPD-UHFFFAOYSA-N 400.525 4.659 0 40 HJAB Cc1cc(C)n(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)n1 6604809 OMRUHTGQSWXIAT-UHFFFAOYSA-N 406.467 4.560 0 40 HJAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C1=O 6629510 LACUHRLBIJOHIN-XDHOZWIPSA-N 412.511 4.635 0 40 HJAB COc1cccc(NC(=O)[C@H](Sc2nncn2-c2ccccc2)c2ccccc2)c1 6830394 FQURHCUBCOBPHC-OAQYLSRUSA-N 416.506 4.748 0 40 HJAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccccc3)cc12 8578944 XWEZGHRORYUNNC-UHFFFAOYSA-N 401.466 4.972 0 40 HJAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cccs3)cc21 8959951 GZXYWOXTSQGRCD-UHFFFAOYSA-N 400.544 4.727 0 40 HJAB CCc1nnc2sc(-c3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3)nn12 9226379 INXUJRWMZDXQDK-UHFFFAOYSA-N 418.309 4.974 0 40 HJAB Cc1ccn2cc(-c3ccc(NC(=O)c4ccccc4Br)cc3)nc2n1 9572071 HIXLIMHQULGKLK-UHFFFAOYSA-N 407.271 4.720 0 40 HJAB CSc1ccc(-c2csc(NC(=O)c3ccc4c(c3)NC(=O)CS4)n2)cc1 10554805 FQNCJDPUSDABIO-UHFFFAOYSA-N 413.549 4.829 0 40 HJAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(OC)c(-c3ccc(OC)cc3)c2)cc1 12035114 XJPUEENNVWRRQM-UHFFFAOYSA-N 419.477 4.981 0 40 HJAB COc1ccccc1OCCCNc1ncc(-c2ccccn2)c(-c2ccco2)n1 12222708 OMWKOIIEXGEYPT-UHFFFAOYSA-N 402.454 4.688 0 40 HJAB C[C@@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)c1nc2ccccc2s1 12607582 CBMZSIWWKCWVQA-OAHLLOKOSA-N 423.567 4.567 0 40 HJAB Nc1nc2n(n1)[C@H](c1c(F)cccc1Cl)C[C@@H](c1ccc(Br)cc1)N2 12629789 JUPSJZLFMGUQSX-KBPBESRZSA-N 422.689 4.562 0 40 HJAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(NC(=O)c2ccccc2)cc1 12749191 TXNKRUHGGPFZPD-OAQYLSRUSA-N 419.550 4.567 0 40 HJAB Cc1cc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)nc2ccccc12 13062950 IGOZRXQBVHWDMN-UHFFFAOYSA-N 411.958 4.638 0 40 HJAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc(C(F)(F)F)c1 14129735 VLOYZNPAPXTQDS-TZMCWYRMSA-N 410.823 4.589 0 40 HJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(I)cc1 14665168 XXMCMUUEJZYLTL-CYBMUJFWSA-N 423.294 4.995 0 40 HJAB O=C1C[C@@H](N2CCC(Cc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 15084292 MSQGTYXCOYTERD-HXUWFJFHSA-N 417.336 4.580 0 40 HJAB COC(=O)c1cc(OC(=O)c2ccccc2)c2c(c1)Oc1nc3ccccc3nc1O2 17117788 YDYVPJUNCJFADY-UHFFFAOYSA-N 414.373 4.534 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1Cl)N1CCOCC1 18194978 SBSVLKPIOLAULG-DEOSSOPVSA-N 420.940 4.619 0 40 HJAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)ccc12 18195802 MLOBCDBSEDKLBN-QHCPKHFHSA-N 423.465 4.587 0 40 HJAB C[C@H](OC(=O)c1ccc(Cl)cc1F)C(=O)Nc1nc(-c2ccccc2)cs1 18807600 OTWZRKXOPNJDFZ-NSHDSACASA-N 404.850 4.787 0 40 HJAB O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 19376083 BHBOGBVOYMTWLL-IBGZPJMESA-N 418.541 4.665 0 40 HJAB CCOc1ccc(COC)cc1CN1CCC[C@@H]1c1cc(-c2cncnc2)cc(C)n1 19690823 MBNNBSWUIDWZDR-XMMPIXPASA-N 418.541 4.729 0 40 HJAB CN1CCc2c(sc3nc(SCc4ccc(Cl)cc4Cl)nc(N)c23)C1 20330263 LYBGRBDONBQBFE-UHFFFAOYSA-N 411.383 4.861 0 40 HJAB Cc1ccn2c(=O)cc(COC(=O)C3(c4ccc(C(C)(C)C)cc4)CCCC3)nc2c1 25051987 QLPIANDNLYZKOI-UHFFFAOYSA-N 418.537 4.856 0 40 HJAB Cc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)o2)c(C)c1Br 28226699 SQFALZHQFJKESP-UHFFFAOYSA-N 408.683 4.809 0 40 HJAB CCN(Cc1ccc(Br)s1)C(=O)c1ccc(Br)s1 32721775 PSFVERCTANWOPS-UHFFFAOYSA-N 409.168 4.997 0 40 HJAB Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1[C@H]1COc2ccccc2O1 36209658 ZTQVFURDRKLSJM-MRXNPFEDSA-N 407.417 4.639 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 36714897 VWQAONUIKMZWIX-QRWLVFNGSA-N 411.299 4.517 0 40 HJAB COc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)ccc1OCc1cscn1 40068046 VSVHPHSZTGKKPT-ZDUSSCGKSA-N 402.903 4.875 0 40 HJAB Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2F)c(C)c1 40069482 XCYWKHCUPVHXQO-UHFFFAOYSA-N 406.413 4.676 0 40 HJAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H](c1nccn1C)C(C)C 40114434 KBXRQMPMOUQOGX-QGZVFWFLSA-N 418.950 4.545 0 40 HJAB CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(C)cc2)C1 44803773 HVECKPSIDYYUHL-SFHVURJKSA-N 404.514 4.582 0 40 HJAB Cc1nc2ccccc2c(C)c1CC(=O)NC[C@H](c1c(F)cccc1Cl)N(C)C 58158677 IOGLSPRBHIQGNA-OAQYLSRUSA-N 413.924 4.606 0 40 HJAB CC(=O)c1ccc(SCC(=O)Nc2c(-c3ccccc3)ncn2C2CC2)c(F)c1 58162043 DAUKFUOUJRIWJT-UHFFFAOYSA-N 409.486 4.958 0 40 HJAB COc1c(Cl)cc(C(=O)Nc2ccc(-c3nc(C4CC4)n[nH]3)cc2)cc1Cl 58218303 SUXLHTNAFHQZRP-UHFFFAOYSA-N 403.269 4.917 0 40 HJAB COc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 58447250 CIXYVUJNRJDNJF-FQEVSTJZSA-N 415.537 4.511 0 40 HJAB CC(C)(C)[C@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)c1cccs1 59280270 KUAQFQTWOWFNEG-GOSISDBHSA-N 424.360 4.728 0 40 HJAB Cc1cccc(-c2nc(CC(=O)N[C@H](C)[C@@H](O)c3c(F)cccc3Cl)cs2)c1 72311627 XTBCRMXRNJWDGK-ZUOKHONESA-N 418.921 4.692 0 40 HJAB COC(=O)C[C@@H](c1ccsc1)c1oc(CSc2ccccc2F)cc(=O)c1O 95477717 LPODZPUZQSOAAL-AWEZNQCLSA-N 420.483 4.533 0 40 HJAB O=C(N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)C12CC(C(F)(F)F)(C1)C2 97165155 OLRQJGJUQRZRAJ-IUDNXUCKSA-N 412.210 4.765 0 40 HJAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)NCCC1=CCCCC1 101354220 ALEUPRUCJUHEHP-UHFFFAOYSA-N 401.510 4.551 0 40 HJAB CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@@H]2ON1c1ccccc1 102726000 QGBCDYBRZMPPGI-RLLPEYFOSA-N 406.526 4.890 0 40 HJAB C[C@@H]1CCCN([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)C1 102894518 RMHJLCAYZVGRSG-IUODEOHRSA-N 400.529 4.639 0 40 HJAB O=C(N1CCN(c2ccccc2)CC1)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 104980800 IMCWWXJJVRPIAO-CFDLBASYSA-N 400.566 4.873 0 40 HJAB Cc1ccc(Cn2[nH]cc/c2=N/C(=O)c2cccnc2Sc2ccc(Cl)cc2)o1 105907212 BKYOUSCVQKYGCJ-PLRJNAJWSA-N 424.913 4.707 0 40 HJAB COC(=O)CC[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(=O)C[C@@]21C 118928324 XAAOVQCJMNBXLL-YAJYNAJBSA-N 404.591 4.775 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C)C=CC[C@H]2C1=O 136687972 IKSDTCDVIXKYID-OWZDWXTDSA-N 408.885 4.602 0 40 HJAB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OC(C)=O 214610874 PFYMLVFIGWIJTR-UDWIEESQSA-N 411.479 4.556 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 222994676 BODVGDWPSORRQE-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 223032487 DHEQWMBJBPQEMI-ROUUACIJSA-N 400.950 4.605 0 40 HJAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C 223559077 HIHUCFOLDNPCOQ-NRFANRHFSA-N 424.585 4.565 0 40 HJAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224618234 XFPRDVAYECOUGA-XMMPIXPASA-N 422.613 4.903 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 224743369 QRAMTPWVJVNVMA-FQEVSTJZSA-N 412.599 4.729 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 225037013 NQOLKNHVCSFSFQ-VXKWHMMOSA-N 424.585 4.794 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)cc1 225609880 DXLIHDVBJHKGRJ-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 225668792 ZOOSCRSTAKBUJH-MRXNPFEDSA-N 421.368 4.725 0 40 HJAB Cc1cc(N)c(NC(=O)c2cccc(Br)c2)cc1N1CCC(C)CC1 226330273 UEUVPXMGEJAFLN-UHFFFAOYSA-N 402.336 4.828 0 40 HJAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 334160926 OZLURRJRMNKUFM-NSHDSACASA-N 411.552 4.656 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 408547364 IWHMZLQCAHKCDK-HNNXBMFYSA-N 408.951 4.565 0 40 HJAB CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(OC)cc1OC 408565831 AYDDUELNMNTWTD-UHFFFAOYSA-N 408.292 4.898 0 40 HJAB COC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 409099269 PUCLTOLTUQKAMM-MHWRWJLKSA-N 419.911 4.701 0 40 HJAB O=C(c1csc(Cc2ccc(F)cc2)n1)N1CCC(OCc2ccccc2)CC1 524469791 YFVCJPJVJCGQFF-UHFFFAOYSA-N 410.514 4.694 0 40 HJAB Cc1ccc(-n2nc(C)c3c(N)c4c(nc32)C[C@H](c2ccc(F)cc2)CC4=O)cc1 618257400 WYOPDNZVNLKLHZ-INIZCTEOSA-N 400.457 4.671 0 40 HJAB CC(C)[C@H](NC(=O)NCCc1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 642343233 DMWDBBYWDZBYHZ-SFHVURJKSA-N 404.436 4.821 0 40 HJAB O=C(N[C@@H](c1cccs1)C1CCOCC1)c1ccc(Oc2nccs2)cc1 1565523352 LXXYHDPQHOFDKR-GOSISDBHSA-N 400.525 4.895 0 40 HJAB Cc1ccc(NC(=O)CSc2nc(-c3cccc(Br)c3)n[nH]2)cc1C 873559 VYXVHGMPHBGATO-UHFFFAOYSA-N 417.332 4.582 0 40 HJAB Cc1ccc(N(C2=NCCCS2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 1327880 KXMADEQHVZNVGH-UHFFFAOYSA-N 402.585 4.981 0 40 HJAB COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1 2250174 IRJGTLBCRVKZEP-RPBOFIJWSA-N 422.488 4.808 0 40 HJAB CC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 2634532 KIEZGDRIDVHFRN-XMMPIXPASA-N 412.445 4.907 0 40 HJAB Cc1ccc(-n2c(S[C@@H]3CCOC3=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2638805 JFYGEQRUDPOXIX-LJQANCHMSA-N 407.539 4.948 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ncc(C(F)(F)F)cc1Cl 3321387 IGBIXMWFJKHSMD-UHFFFAOYSA-N 414.796 4.535 0 40 HJAB COc1ccc(C(=O)[C@@H](OC(=O)CCC(=O)c2ccccc2)c2ccccc2)cc1 4030017 SHWSQOUBSYDQBC-VWLOTQADSA-N 402.446 4.826 0 40 HJAB biogenic O=C1Nc2ccccc2[C@@]12Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 4112584 QBOVYOUGOKOQIY-NZQKXSOJSA-N 401.853 4.689 0 40 HJAB CCOC(=O)Nc1ccc2c(c1)N(C(=O)[C@@H](C)N(CC)CC)c1ccccc1CC2 4785952 CRPZDKQBRNLAAB-QGZVFWFLSA-N 409.530 4.749 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1 5047146 ZUGFOJKTANYHAV-UHFFFAOYSA-N 410.524 4.687 0 40 HJAB Cc1ccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)c(C)c1 5164439 VRUITDXLWLLLDF-ZODMCCGTSA-N 410.533 4.749 0 40 HJAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 5456403 LWZGWKBAFXLCTB-GFCCVEGCSA-N 402.422 4.581 0 40 HJAB CCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OC 5477942 PSSARGDWEHDKFO-OSVJCPFSSA-N 406.526 4.511 0 40 HJAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C2CCCCC2)cc1 6344218 YDXCUESXOOBTLL-QHCPKHFHSA-N 419.521 4.509 0 40 HJAB O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NCCc1ccccc1 6383014 LZGBWNZBURFKJH-UHFFFAOYSA-N 419.912 4.628 0 40 HJAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(O[C@H](C)CC)cc2)cc1 6386404 BHGAKBDCZVDWGJ-OAHLLOKOSA-N 413.543 4.729 0 40 HJAB O=C(Cc1ccccc1)Nc1c(C(=O)c2ccc3c(c2)OCCO3)oc2ccccc12 7616156 UMTMVEBFRSKDOB-UHFFFAOYSA-N 413.429 4.616 0 40 HJAB CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc(Br)c1OC 7886308 HVZBYRMUNDHOKC-LJQANCHMSA-N 417.303 4.585 0 40 HJAB COc1ccc(OC)c(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c1 7971483 JZURVYOYBHENPZ-UHFFFAOYSA-N 405.479 4.870 0 40 HJAB Cc1ccc(NC(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)c(C)c1 8369264 SDFPYJFKHYFQBJ-UHFFFAOYSA-N 423.538 4.919 0 40 HJAB Cc1ccnc(-n2c(SCC(=O)c3ccccc3)nc3sc(C)c(C)c3c2=O)c1 8450702 JXGHYOPAOZAEPG-UHFFFAOYSA-N 421.547 4.742 0 40 HJAB Cc1nc2cc(C(=O)OCC(=O)Nc3cccc(Cl)c3)ccc2n1-c1ccccc1 8686352 RIKDMTCHOJSVJQ-UHFFFAOYSA-N 419.868 4.783 0 40 HJAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1CCc1ccccc1 8738522 NMCHFINFRORNIA-POTDNYQPSA-N 407.513 4.968 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)c2cc(C3CC3)nn2-c2ccccc2)c(OC)c1 8849399 YMWYDZBMGJPLOB-JOCHJYFZSA-N 417.509 4.744 0 40 HJAB O=c1[nH]c(CSc2nnc(C3CC3)n2C2CC2)nc2scc(-c3ccccc3)c12 8860932 KFHNPNZYRVEICP-UHFFFAOYSA-N 421.551 4.748 0 40 HJAB COc1ccc(-c2nnc(SCc3nc4ccccc4o3)n2C[C@H]2CCCO2)cc1 9336985 LBBJXANESCHKSM-QGZVFWFLSA-N 422.510 4.566 0 40 HJAB O=C(COCc1nc2ccccc2s1)N1CCC[C@@H]1c1nc2ccccc2s1 9512259 JTMVQJVWRFQEQJ-MRXNPFEDSA-N 409.536 4.786 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 9632991 HLKRFEHSLGQQMG-UHFFFAOYSA-N 424.910 4.814 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)N3[C@@H](C)CCC[C@H]3C)o2)cc1 9909514 BODJKDPEMNQPHP-BBWFWOEESA-N 416.591 4.853 0 40 HJAB O=S(=O)(c1cccc(Cl)c1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 12361428 MALXZQRVKJAWBI-IBGZPJMESA-N 407.322 4.589 0 40 HJAB COc1ccc(Cl)cc1-c1nnc2sc(-c3cccc(Br)c3)nn12 12390958 WSEPYWHERPJBOS-UHFFFAOYSA-N 421.707 4.944 0 40 HJAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1cc(Cl)ccc1N1CCCCC1 12527169 FTPOYSOFJSZHTG-QGZVFWFLSA-N 411.933 4.860 0 40 HJAB O=C(c1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1)N1CCCCC1 12911234 FTFZETOHFVRRDO-UHFFFAOYSA-N 423.520 4.930 0 40 HJAB CN(CCC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1c(Cl)cccc1Cl 12925140 XNKZTVPTTPWEJW-UHFFFAOYSA-N 414.720 4.546 0 40 HJAB COCCCn1c(S[C@H](C)c2nc(C(C)C)no2)nnc1-c1ccccc1Cl 13023586 ZJSXHQGWGMYBNA-CYBMUJFWSA-N 421.954 4.995 0 40 HJAB COc1ccc([C@H](CNc2nc(C)nc3sc4c(c23)CCCCC4)N(C)C)cc1 13040752 XYEDCSSHDONMKY-IBGZPJMESA-N 410.587 4.992 0 40 HJAB CC[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713787 UJRZVKJOTOLZMZ-HSZRJFAPSA-N 422.550 4.845 0 40 HJAB COc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccc(C)cc2)cc1 15412276 CZELGXTXYVPUAG-VWLOTQADSA-N 414.505 4.742 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2C)cc1 17356930 OXMMZIWUSDQOLV-UHFFFAOYSA-N 400.544 4.509 0 40 HJAB O=C(N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Br 19143235 FLFZGQSHAHIRCW-AWEZNQCLSA-N 422.537 4.987 0 40 HJAB Cc1nc([C@H]2CCCCN2C(=O)CC(C)C)ncc1C(=O)Nc1ccc(Cl)cc1 19764895 DFVCLDIYDVRELK-LJQANCHMSA-N 414.937 4.790 0 40 HJAB O=C(Nc1ccncc1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20721972 OEAHHJZRXFGGEM-QHCPKHFHSA-N 411.505 4.773 0 40 HJAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C)cc(C)c2)CC1 21577989 XPPVRNKDWKWGNG-UHFFFAOYSA-N 413.949 4.658 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)Cn1nc(C(C)C)oc1=S 22194207 OBZYWPNYKKPBIC-UHFFFAOYSA-N 419.982 4.934 0 40 HJAB COCC(=O)N1CCCc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc21 22502967 PBQQUWACSVCJLZ-UHFFFAOYSA-N 408.285 4.563 0 40 HJAB O=C(Cn1cnc2c(-c3ccccc3)csc2c1=O)Nc1ccc(F)cc1Cl 23126449 ZDUJCDDAXYPMOU-UHFFFAOYSA-N 413.861 4.556 0 40 HJAB COc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)N2CCCCCC2)cc1 27662265 OLZWGVGNZVUHCY-DEOSSOPVSA-N 410.558 4.830 0 40 HJAB biogenic O=C(Nc1ncc(Br)s1)c1ccc(COc2ccc(F)cc2F)o1 27983633 KCFIGLYWLJINMB-UHFFFAOYSA-N 415.215 4.608 0 40 HJAB COc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3cccc(C)c3C)cs2)cc1 27994950 BWEOBOBFYMRADK-QGZVFWFLSA-N 410.539 4.562 0 40 HJAB Cc1nc2c(cc1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c3ccccc13)c(C)nn2C 29785280 OXUWQVLHQSSNJQ-QFIPXVFZSA-N 423.520 4.628 0 40 HJAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 31721774 WYGWLWRLQDJAPC-UHFFFAOYSA-N 421.584 4.501 0 40 HJAB COc1cc(C(=O)Nc2nc3ccc(C)cc3s2)ccc1OCc1ccncc1 32795793 DSQDJOVNXDQZRK-UHFFFAOYSA-N 405.479 4.840 0 40 HJAB COCCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1 40134047 LEWWIJKTKPBMCG-UHFFFAOYSA-N 422.529 4.650 0 40 HJAB Cc1ccccc1C(=O)N[C@@H](C(=O)N(C)Cc1cccc(Cl)c1Cl)C(C)C 68979871 MAGXJEWLCVYNCH-LJQANCHMSA-N 407.341 4.715 0 40 HJAB CC(C)c1ccc(C(=O)N2CCN(c3c(Cl)ccc4sc(N)nc34)CC2)cc1 72230127 OAVHYFMZTCIOQX-UHFFFAOYSA-N 414.962 4.618 0 40 HJAB O=C(COc1ccccc1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 72349066 YZTPWQJDQOVTEK-UHFFFAOYSA-N 404.485 4.597 0 40 HJAB O=C(Cc1cccnc1)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349416 RVBXTBQGCJDCMW-FQEVSTJZSA-N 405.929 4.670 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@H](c3cc4cc(C)ccc4nc3Cl)C2)c(OC)c1 89657555 MYCDWCLXTABIOV-NRFANRHFSA-N 423.900 4.911 0 40 HJAB CCc1ccc([C@@H]2CCCCCN2C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)o1 95399681 IJLDHKKLTBJSSN-FQEVSTJZSA-N 423.488 4.593 0 40 HJAB O=C1[C@@H]([C@H](O)c2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1c1ccccc1 100355020 QWZJUFPQEBQGRT-UONOGXRCSA-N 403.187 4.608 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 136532736 DXMFSLPCPTXQAY-SFTDATJTSA-N 404.510 4.743 0 40 HJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(C)c(C)c1 223163784 UFKCQWOPWMQBTK-NRPPHEFGSA-N 402.494 4.935 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCSc2ccccc2)cc1 223792944 QPYLCEFHAUJBFG-PGMHBOJBSA-N 422.575 4.736 0 40 HJAB CCCC[C@H](CC)CNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 223866066 NPSRIGKIYKSEAC-IBGZPJMESA-N 416.587 4.766 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 224140507 MENHXSPGGGUZMG-DEOSSOPVSA-N 422.569 4.548 0 40 HJAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 225196434 JNYJPXUMRODCQP-URPBSQGJSA-N 416.521 4.923 0 40 HJAB Cc1ccccc1CSCCNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 225362601 NKJPJJOSNOORES-UHFFFAOYSA-N 413.612 4.650 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 225527837 YAAMOQJMLIPUJH-SIKLNZKXSA-N 412.599 4.809 0 40 HJAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)C1(c2ccc(Cl)cc2)CCCC1 225587355 FYYCDRKQMROBJG-JOCHJYFZSA-N 415.942 4.859 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 225655867 VHYIGVFCTJJENO-HRAATJIYSA-N 418.940 4.744 0 40 HJAB CCCO[C@@](C)(C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1)C1CC1 225672294 BWGUMYLBEUQVIQ-KHCICDEESA-N 402.579 4.577 0 40 HJAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)N(Cc1ccccc1)Cc1ccccc1 225735617 KXMXKXVBVXIQDL-UHFFFAOYSA-N 416.908 4.884 0 40 HJAB COc1ccc(SCCCNC(=S)Nc2ccc(Br)cc2)cc1 225802480 APVDQXRBNJRELB-UHFFFAOYSA-N 411.390 4.927 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)cc1 248125294 FCCQAWISESFWCF-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB Cc1cccc2nc(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccc(F)cc4)o3)cn12 257235658 GYUIAXHJFUVAMP-OAQYLSRUSA-N 418.472 4.728 0 40 HJAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408583737 JKYXFNBWAKNHNZ-UHFFFAOYSA-N 416.330 4.572 0 40 HJAB CCOc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccccc2Cl)cc1 408843670 RPTIGZHCIUJOHR-RCCKNPSSSA-N 403.869 4.968 0 40 HJAB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2cccc(C)c2C)c2ccccc2)cc1 408980705 SKYDPDCOGDGNAL-HSZRJFAPSA-N 422.550 4.660 0 40 HJAB CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409062747 AETZZYCVTAMUMP-UHFFFAOYSA-N 412.533 4.864 0 40 HJAB COc1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(OC)cc2)cc1 504170872 XAXWXKBSOOOXDQ-RVGCTNROSA-N 421.537 4.612 0 40 HJAB c1ccc(Cn2c3ccccc3c3nnc(SCCN4CCCCC4)nc32)cc1 706613 XDFZEDFELKGIIF-UHFFFAOYSA-N 403.555 4.606 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2Br)cc1 1499364 VDRGUZSQROONKR-RUDMXATFSA-N 411.093 4.872 0 40 HJAB biogenic CCCCn1nc(NC(=O)c2ccc(OC)c(OC)c2)c2cc3cccc(C)c3nc21 2404587 AYYQZJGBGMYTGR-UHFFFAOYSA-N 418.497 4.963 0 40 HJAB Cc1c(C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)oc2ccccc12 2429091 LENJGHNICWOCLN-UHFFFAOYSA-N 409.492 4.820 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CSC3)c1 3008344 DETNZCDSLSQUQZ-UHFFFAOYSA-N 409.511 4.505 0 40 HJAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1OC 4077278 TXJJKDGTDHXHDT-UHFFFAOYSA-N 415.902 4.542 0 40 HJAB Nc1c(C(=O)c2cccs2)sc2nsc(SCCN3CCCCC3)c12 4335481 LRARQKZHFQICOU-UHFFFAOYSA-N 409.627 4.811 0 40 HJAB C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1ON(c1ccccc1)[C@H]2c1ccccc1 4908909 JRYISFBJRDAFHH-IMSXRSKXSA-N 418.880 4.781 0 40 HJAB COCCNC(=O)CSc1nc(-c2ccc(C)cc2)[nH]c1-c1ccc(Cl)cc1 4927815 YGQJZDKJMUWHKQ-UHFFFAOYSA-N 415.946 4.560 0 40 HJAB COc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1 4937765 DRZOARFHADFDMP-VHXPQNKSSA-N 405.475 4.815 0 40 HJAB COc1ccc(CCNC(=O)c2cc3sccc3n2Cc2ccccc2)cc1OC 4970914 ZESMBNLIDNVJNM-UHFFFAOYSA-N 420.534 4.741 0 40 HJAB CC(C)CN(CC(C)C)C(=O)CCSCCC(=O)N(CC(C)C)CC(C)C 5632860 GUNMWOAEFFZOCE-UHFFFAOYSA-N 400.673 4.781 0 40 HJAB CCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1 6462828 VZHUYPFXVQEJPE-UHFFFAOYSA-N 405.498 4.982 0 40 HJAB CC(C)c1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)cc1 6808692 RMOJUOOAGTXRQD-UHFFFAOYSA-N 403.526 4.740 0 40 HJAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cc1 6889141 REXNRULYIBFWET-UHFFFAOYSA-N 403.059 4.551 0 40 HJAB CC(C)COc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 7064372 MBTHETGECDDPFN-UHFFFAOYSA-N 404.514 4.959 0 40 HJAB CCn1c(SCC(=O)N[C@H](C)c2cccc3ccccc23)nc2ccccc2c1=O 7275385 OLRRMCWCJPNAFS-MRXNPFEDSA-N 417.534 4.539 0 40 HJAB CCn1c(C)cc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1C 8131521 CTAVPPLMNPLRSQ-UHFFFAOYSA-N 420.538 5.000 0 40 HJAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 8390343 JZJNKQHDJKRHFD-QFIPXVFZSA-N 415.445 4.554 0 40 HJAB Cc1cc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)ccc1Br 8830999 OPFODUQKTCUJRQ-UHFFFAOYSA-N 419.250 4.707 0 40 HJAB COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(F)cc2)c1 8867614 IMAZMNWOIJSLER-JOCHJYFZSA-N 415.420 4.686 0 40 HJAB COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(C)cc3Cl)n2)cc1 8983797 WPHIBJOPJQWBDV-UHFFFAOYSA-N 417.943 4.907 0 40 HJAB NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1cccc(Br)c1 9425736 CINNQEIDZIWXMQ-PGMHBOJBSA-N 412.070 4.833 0 40 HJAB Cc1occc1-c1nnc(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1C 9512795 MVDNKJBGBQXVGT-LJQANCHMSA-N 422.485 4.995 0 40 HJAB COc1ccc(NC(=O)CSC2=Nc3cccnc3Nc3ccccc32)cc1OC 9854275 KIEKWFDAQUKRDS-UHFFFAOYSA-N 420.494 4.606 0 40 HJAB Cc1cc(N[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)ccc1N1CCCC1=O 10186264 RJWKAHWKARNWQO-CYBMUJFWSA-N 406.313 4.868 0 40 HJAB CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2cccc3ccccc23)cc1 10220696 PBBUJBQKTBCWSH-UHFFFAOYSA-N 420.490 4.506 0 40 HJAB C[C@@H](Sc1nnc(COc2ccc(F)cc2)o1)C(=O)Nc1ccc(Cl)cc1 11195434 PNPBLORWJOSKIC-LLVKDONJSA-N 407.854 4.560 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 12361375 JXQSJVUHCVFYRL-LJQANCHMSA-N 407.322 4.589 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 14833499 UZGKCULTJLAART-VGOFMYFVSA-N 418.946 4.557 0 40 HJAB O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccco1 16524527 VRKWTNPPMZKWOC-NRFANRHFSA-N 416.260 4.594 0 40 HJAB O=C(NC(=S)NCc1ccccc1)c1ccc(-c2ccc(Br)cc2)o1 17090224 ZSVULFNBPIFTAJ-UHFFFAOYSA-N 415.312 4.514 0 40 HJAB C[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1cccs1 17883484 PLQOUUQBLPGDMN-ZDUSSCGKSA-N 423.567 4.792 0 40 HJAB Cc1c([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 18324638 HRSQQSTVOBXDHC-JOCHJYFZSA-N 404.901 4.734 0 40 HJAB Cc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 19947510 GAYUVKVYRNLSIR-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB COc1ccc(-c2cc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)on2)cc1OC 27985732 GBJJXJYNRZBOBO-UHFFFAOYSA-N 423.252 4.927 0 40 HJAB Cc1cccc(CSc2nnc(Nc3ccc(Cl)cc3)c(=O)n2-n2cccc2)c1 28535113 AYLZHJSTGHTWOC-UHFFFAOYSA-N 423.929 4.749 0 40 HJAB C[C@@H](NC(=O)CCCNC(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 31383125 WGYZYBXZXHZSMI-HXUWFJFHSA-N 400.522 4.533 0 40 HJAB COc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1OC 31388886 GIUCGQUZCJTRJE-QGZVFWFLSA-N 424.522 4.640 0 40 HJAB O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1 32098232 NGSUFMABNJXQNX-UHFFFAOYSA-N 411.266 4.640 0 40 HJAB CN(C)[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(Cl)cc1 32622400 HPFLQKGTVZVWQX-SFHVURJKSA-N 404.297 4.681 0 40 HJAB Cc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)no1 33327282 UYBMBBHPUXYXNV-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB Cc1ccc(NC(=O)COc2cccc(-c3noc(COc4ccccc4)n3)c2)cc1 33327452 JNQJJBUXGYBKCF-UHFFFAOYSA-N 415.449 4.642 0 40 HJAB COc1ccccc1CN(CCCn1ccnc1)Cc1[nH]c2ccc(F)cc2c1C 36740342 JPJKWOSHIAXHMH-UHFFFAOYSA-N 406.505 4.913 0 40 HJAB COCc1nn2c(C)c(C(=O)Nc3ccc(F)cc3)cnc2c1-c1ccc(Cl)cc1 38829781 VWLXEUYIFRKTGM-UHFFFAOYSA-N 424.863 4.896 0 40 HJAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1F 40131793 WNEWBUFPOWDJMI-IBGZPJMESA-N 418.468 4.654 0 40 HJAB O=C(OCc1nc(-c2ccc(Br)cc2)no1)c1ccc(F)cc1Cl 51315147 BUXKHVFBGAELFB-UHFFFAOYSA-N 411.614 4.649 0 40 HJAB CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc2ccsc2c1=O 57425083 OCSDJGHLQAXRLN-UHFFFAOYSA-N 414.339 4.516 0 40 HJAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cnccc1Oc1ccccc1 58376839 PATAOVMAXFBBOT-UHFFFAOYSA-N 410.857 4.870 0 40 HJAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)c1 59227243 BWWMZWQNFGELPQ-ZDUSSCGKSA-N 410.823 4.967 0 40 HJAB CCc1ccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc23)cc1 67288320 YOMHEACQBNFJJS-UHFFFAOYSA-N 409.917 4.535 0 40 HJAB O=C(CCOc1cccc(F)c1)N1CCC[C@H](c2ccc(Nc3ccccn3)cn2)C1 72353419 XCMSIVFSSRBSBU-SFHVURJKSA-N 420.488 4.534 0 40 HJAB O=C(Nc1ccsc1C(=O)N[C@H]1CCSc2c(F)cccc21)c1ccncc1 84445650 YCHDSDVGCOSKNV-HNNXBMFYSA-N 413.499 4.501 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(C(=O)c2ccco2)s1 96119800 BBAYRNLLXQMMSB-UHFFFAOYSA-N 410.278 4.574 0 40 HJAB O=C1/C(=C/Nc2ccccn2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 100406724 ITDUAANEONMWGJ-QGOAFFKASA-N 409.367 4.740 0 40 HJAB COc1cc(C(=S)N2CCCC2)c(Br)cc1OCc1ccc(F)cc1 107793068 TXDNPJAVRMGOEJ-UHFFFAOYSA-N 424.335 4.947 0 40 HJAB O=C(O)c1cc(-c2cccc(-c3cc(C(=O)O)c4ccccc4n3)n2)nc2ccccc12 141374193 RZIBXXRENMFSIH-UHFFFAOYSA-N 421.412 4.908 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)Nc4cccc(Cl)c4C)cc3)C(=O)[C@@H]12 206659583 LYBQVOZLKIYWRX-IAECCPNBSA-N 420.896 4.602 0 40 HJAB O=C(NCCSCc1c(Cl)cccc1Cl)c1cccc(N2CCCC2=O)c1 219209294 RTHGYAXIGSITRR-UHFFFAOYSA-N 423.365 4.783 0 40 HJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)n1-c1cccnc1 223090130 LQHMRTPWOISNKW-DHIUTWEWSA-N 417.582 4.881 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 223904951 MVUPUFXRKNEWMJ-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 223949979 ZNGBBLVDRNEOAK-SFHVURJKSA-N 408.523 4.595 0 40 HJAB Cc1ccccc1[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(C)C 224025788 QYYZGQSCMRSWRT-QHCPKHFHSA-N 422.550 4.923 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 224235951 QZJBAFWVNARNNS-IBGZPJMESA-N 414.977 4.689 0 40 HJAB CN(c1cccc(C(=O)Nc2ccc3ccccc3c2)c1)S(=O)(=O)c1ccccc1 224252396 RLWVNSYWZRCEJE-UHFFFAOYSA-N 416.502 4.917 0 40 HJAB COc1ccc2cc(S(=O)(=O)NCCSCc3cccc(Cl)c3)ccc2c1 224381623 DDRHGQPLVAGXSQ-UHFFFAOYSA-N 421.971 4.714 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCc1ccccc1 224606126 ARDNHWOVLDEOMI-XMMPIXPASA-N 406.570 4.528 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225011366 MQRIXFRMKRVFCY-CVEARBPZSA-N 421.368 4.868 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 225131520 CZJWLDLZQVIYSY-ROUUACIJSA-N 400.950 4.523 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225698817 ZQHJEXYUMFNLBZ-MRXNPFEDSA-N 421.368 4.520 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408649246 ZRRJIIJYQOVRPK-CYBMUJFWSA-N 421.722 4.657 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)c1 408680467 HVOBCGWOMSYFRV-VXKWHMMOSA-N 416.521 4.909 0 40 HJAB Cc1cccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1C 409028059 JDEGTNXHVLCGQG-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 585319011 FYFXIYHOEVBRJW-HNNXBMFYSA-N 402.285 4.731 0 40 HJAB Cc1ccc(C)c(CC(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 1584706899 UIPUQVNIHZWWJH-QHCPKHFHSA-N 400.513 4.856 0 40 HJAB O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1c[nH]nc1-c1ccc(F)cc1 1637033419 SXHBZVAXAQHIDU-UHFFFAOYSA-N 415.350 4.673 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)cc1 683289 WCRUUQOIHICKKC-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB O=C(Nc1cccc(Cl)c1)c1cc(Br)cc(Br)c1O 813270 NOBGQGXPNOIMQT-UHFFFAOYSA-N 405.473 4.823 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc3c(n2)[nH]c2c(C)cc(C)cc23)c(C)c1 877618 MRTJAMOHSIRVHG-UHFFFAOYSA-N 405.527 4.779 0 40 HJAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(c4ccccc4)C(=O)N23)cc1 1071015 RRNYXZXVIKHUQD-VWNXMTODSA-N 423.472 4.659 0 40 HJAB O=C(Nc1ccc(I)cn1)c1ccccc1-c1ccccc1 1425980 JVKXAHZFKAEZSK-UHFFFAOYSA-N 400.219 4.606 0 40 HJAB COc1cc([C@@H](C)c2cc3c(cc2OCCO)OCO3)ccc1Cc1ccccc1 1582415 RSRAQILILRLFNC-QGZVFWFLSA-N 406.478 4.538 0 40 HJAB COc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1-c1ccccc1 2644710 XNHDOWGWMRRBKT-HNNXBMFYSA-N 420.494 4.655 0 40 HJAB COc1ccc(C(=O)CSc2nnc(Nc3ccc(C)cc3C)s2)c(OC)c1 2647689 FNMOCYUETSBTNW-UHFFFAOYSA-N 415.540 4.891 0 40 HJAB CN(C(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21)c1ccccc1 3221797 JHQPCDVNAQCHGF-UHFFFAOYSA-N 418.518 4.886 0 40 HJAB C[C@H](NC(=O)C(=Cc1cccs1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 3250941 VONGLCNXHWJENU-ROUUACIJSA-N 404.535 4.886 0 40 HJAB CCCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)CC1 4120873 LFMLGYVHNDGDPW-OVCLIPMQSA-N 419.569 4.911 0 40 HJAB Cc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(C)c(C)c3)s2)cc1 4392400 NQEQBBHHAIHJKR-UHFFFAOYSA-N 400.569 4.565 0 40 HJAB COc1ccc2[nH]cc(CCNC(=O)c3c(-c4ccccc4Cl)noc3C)c2c1 4487682 PHEQDRSGHPOMJF-UHFFFAOYSA-N 409.873 4.766 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2cc3oc4ccccc4c3cc2OC)cc1 4624079 BTMJIVPDVJHBGD-UHFFFAOYSA-N 406.463 4.730 0 40 HJAB CCc1cc2cc3c(cc2nc1SCC(=O)c1cc(OC)ccc1OC)OCO3 4857778 PMGUWEOJARRWSP-UHFFFAOYSA-N 411.479 4.518 0 40 HJAB CCOc1ccc(-c2cn3c(CC(=O)N[C@H](C)c4ccccc4)csc3n2)cc1 5147030 LYEXZCCDJPBOJX-MRXNPFEDSA-N 405.523 4.881 0 40 HJAB COc1ccc(OC)c([C@H]2c3cccn3CCN2C(=O)Nc2ccc(C)c(C)c2)c1 5256354 RAYINTOXCUUOJM-QHCPKHFHSA-N 405.498 4.759 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3C)o2)c1 5293642 IXLKJHVHFPSAJE-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB Cc1ccc(OC[C@@H](O)Cn2c(COc3cccc(C)c3)nc3ccccc32)cc1 5588842 HVKAYTICWFUEKN-FQEVSTJZSA-N 402.494 4.672 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 6362272 RRJNAZHAPSULKK-OVCLIPMQSA-N 410.470 4.587 0 40 HJAB Cc1oc2c(C)c3oc(=O)c(CC(=O)NCCc4ccsc4)c(C)c3cc2c1C 6624001 QVDKMLSYSFVDFS-UHFFFAOYSA-N 409.507 4.736 0 40 HJAB biogenic Cc1ccc(Cl)c(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)c1Cl 6930300 VLDHZHSXLXFHSM-UHFFFAOYSA-N 405.281 4.898 0 40 HJAB CN(C)CCCN(C(=O)CCSc1ccccc1)c1nc2ccc(F)cc2s1 6931578 SBAUVNJSSXFQKS-UHFFFAOYSA-N 417.575 4.903 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3C)c2)c(C)c1 6964515 OVONQQDPTGNFQO-UHFFFAOYSA-N 417.534 4.991 0 40 HJAB COc1ccc2nc(SCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)[nH]c2c1 7138586 APNQDILBVUUNJN-UHFFFAOYSA-N 417.490 4.799 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccc(Cl)cc1F 7763539 ZYLQFYMTGAZBNM-UHFFFAOYSA-N 408.911 4.865 0 40 HJAB COc1ccc(CN(C)CC(=O)Nc2ccccc2Oc2ccccc2)cc1OC 7973241 BKAHNKCSLFLWOU-UHFFFAOYSA-N 406.482 4.567 0 40 HJAB COCCNc1nnc(Sc2nc(C)nc3scc(-c4ccccc4)c23)s1 8201310 UBNJZXWQBPIXQO-UHFFFAOYSA-N 415.569 4.728 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(-c2csc(-c3ccccc3OC)n2)cc1 8209340 DATYCYWVQHDXGU-UHFFFAOYSA-N 402.541 4.516 0 40 HJAB CC(C)c1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c2cnn(C(C)C)c2n1 8230608 KLVBZJQSTACEIG-UHFFFAOYSA-N 405.502 4.515 0 40 HJAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1 8656873 KAMSBPUBCMXCPE-HXUWFJFHSA-N 411.505 4.944 0 40 HJAB Nc1nc(CSc2ncc(C(F)(F)F)cc2Cl)nc(Nc2ccccc2)n1 9222095 FBHRWFGPMQYXBM-UHFFFAOYSA-N 412.828 4.557 0 40 HJAB COc1ccc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 9633361 PRQNKWNGBAFJNE-UHFFFAOYSA-N 418.474 4.767 0 40 HJAB CC1=Nc2ccccc2N=C(NC(=O)CSc2nccc(C)n2)[C@H]1c1ccccc1 9698442 KXERPSCPIODEJS-OAQYLSRUSA-N 415.522 4.613 0 40 HJAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(C2SCCCS2)cc1 9710360 WADKIZKGRWIZDB-UHFFFAOYSA-N 423.567 4.796 0 40 HJAB CCc1ccccc1NC(=O)[C@@H]1Sc2ccc(C)n2N[C@@H]1c1ccc(OC)cc1 11116098 HIVJBHTZQRNOPZ-FGZHOGPDSA-N 407.539 4.765 0 40 HJAB Cc1ccc(OCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1C 11667146 FDFSOJDICDTYIH-UHFFFAOYSA-N 417.509 4.987 0 40 HJAB COc1ccc(OCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 11667416 KELYWURGXSMYTO-QGZVFWFLSA-N 419.481 4.598 0 40 HJAB CCc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1 11913860 PKBDFFOEWWIPEY-UHFFFAOYSA-N 421.806 4.719 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccn2)N1Cc1ccccc1Cl 12523374 JDCYMCWCPMWCCT-FQEVSTJZSA-N 402.837 4.587 0 40 HJAB CC1CCN(Cc2csc(NC(=O)CCc3ncc(-c4ccccc4)o3)n2)CC1 12740598 ASVLJKDGPLRGLJ-UHFFFAOYSA-N 410.543 4.601 0 40 HJAB CCc1ccc(-c2nn(CN3CCC(C(=O)c4ccccc4)CC3)c(=S)[nH]2)cc1 12814828 KMPHHXCDPHCHOW-UHFFFAOYSA-N 406.555 4.722 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(N[C@@H](C)C(=O)Nc3ccccc3)ccc2C)c1 13096997 VEKQTWQRKSMMSW-SFHVURJKSA-N 423.538 4.543 0 40 HJAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1cc2cc(Cl)ccc2o1 14120411 OLIVVQUTMYREFP-UHFFFAOYSA-N 414.826 4.840 0 40 HJAB CCCCC1CCC(C(=O)N(Cc2ccc(CC)cc2)[C@@H]2CCS(=O)(=O)C2)CC1 16741752 LVTGEOAXZUBMMW-IQWMQGJTSA-N 419.631 4.761 0 40 HJAB CCOP(=O)(OCC)c1nc(-c2ccc(Cl)cc2)oc1NCc1cccnc1 16806374 HFWHNRXJFKQMSO-UHFFFAOYSA-N 421.821 4.894 0 40 HJAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(C(=O)O)cc3)o2)cc1Cl 17090134 ILGXOOKOTJPZIN-UHFFFAOYSA-N 414.870 4.733 0 40 HJAB CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(C(C)=O)cc2)[C@H]1c1ccc(OC)cc1 19165551 BFXBNYSUNSMMGG-LADGPHEKSA-N 422.525 4.616 0 40 HJAB CCN(CC)C(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)C(C)C)C1 19526149 VSBYHQNGVXELAL-DEOSSOPVSA-N 412.599 4.701 0 40 HJAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)CC2CCCCC2)c1 19689603 JTPSMHPUHXYBSX-QFIPXVFZSA-N 422.573 4.852 0 40 HJAB CC(C)n1c(CN2[C@@H](c3ccccc3)C[C@@H]3NC(=O)CCC[C@H]32)nc2ccccc21 19713811 RSVRVGJGLSNOLA-QZNHQXDQSA-N 402.542 4.602 0 40 HJAB CCOC(=O)c1nn(-c2ccccc2)cc1/C=C/c1nnc(-c2ccccc2Cl)o1 19810676 KHEHWUGMGKNKBS-OUKQBFOZSA-N 420.856 4.923 0 40 HJAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC 20141331 NECIUDJGDWALMU-UHFFFAOYSA-N 404.633 4.615 0 40 HJAB O=C(Nc1nccs1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 20715717 UJPITEIDEGDKHI-LJQANCHMSA-N 409.555 4.967 0 40 HJAB O=C(Nc1ccccc1Oc1ccccc1Cl)c1ccc(N2CCOCC2)nc1 22423262 GYRXXEQGUSDMRS-UHFFFAOYSA-N 409.873 4.616 0 40 HJAB Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCC(C)CC3)c(O)n2n1 22626181 QADZDUKJEDHMNL-HNNXBMFYSA-N 411.358 4.933 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)OCCCC(=O)c1cccs1 23076904 XRRRJLCZDSNPJT-UHFFFAOYSA-N 416.524 4.860 0 40 HJAB COc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1OC 23660347 OLNUUJNCWFVZNK-GFCCVEGCSA-N 418.902 4.887 0 40 HJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C 27389780 NCYLADFAOICENC-CQSZACIVSA-N 410.905 4.615 0 40 HJAB CN(Cc1nc(-c2cccs2)no1)C(=O)CC(c1ccccc1)c1ccccc1 28188852 BDDZLSLIWPFGDG-UHFFFAOYSA-N 403.507 4.979 0 40 HJAB COc1ccc([C@@H](CNCc2cccc(OCc3ccccn3)c2)N2CCCC2)cc1 30545072 WGFDJTOIQTZZLV-AREMUKBSSA-N 417.553 4.596 0 40 HJAB CC1=C[C@@H](CN2CCC(CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 30882771 MSICKHSMAWNUCH-HJOGWXRNSA-N 423.601 4.838 0 40 HJAB biogenic,in-vitro CCCOc1ccc(-c2nc(NC(=O)COc3ccc(Cl)c(C)c3)no2)cc1 32623307 VXVIUUVWIRBZII-UHFFFAOYSA-N 401.850 4.505 0 40 HJAB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 32752551 KQTCOQFMVXMCQZ-CPNJWEJPSA-N 404.470 4.748 0 40 HJAB CCc1ccc(Oc2cc(N3CCC(C(=O)N[C@@H]4CCCC[C@@H]4C)CC3)ncn2)cc1 33311971 ZIKAISIEGXXOFF-PGRDOPGGSA-N 422.573 4.743 0 40 HJAB CCC1(CC)Nn2c(nnc2-c2ccccc2)S[C@@H]1C(=O)Nc1ccc(C)cc1C 39370842 SDEQCCYTGOEOLV-LJQANCHMSA-N 421.570 4.777 0 40 HJAB CCCOc1ccccc1CCCNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 44851575 STOZYGMIZDUBAA-JOCHJYFZSA-N 412.549 4.576 0 40 HJAB CC(C)(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 44884252 CFOJULQIQJXIPC-UHFFFAOYSA-N 424.522 4.808 0 40 HJAB O=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)NC1CCCC1 46005328 VQIIARCIUQHJQQ-UHFFFAOYSA-N 402.523 4.700 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)c(Cl)c1 57426236 VOAQJKSJBVCEAA-UHFFFAOYSA-N 421.975 4.807 0 40 HJAB CCN(Cc1ccccc1NC(=O)c1cnc2ccccc2n1)C(=O)OC(C)(C)C 59257959 MQYQUEVFBWFVMY-UHFFFAOYSA-N 406.486 4.639 0 40 HJAB COc1ccc(C(=O)Nc2ccc3nn(-c4cccc5ccccc45)nc3c2)c(OC)c1 59294396 VWGKDXQEGHXDPE-UHFFFAOYSA-N 424.460 4.843 0 40 HJAB Cc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)c1C 67292796 RTNGHMZMBIZJET-FRXIXPCJSA-N 410.901 4.844 0 40 HJAB COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 72357991 XLHRDXLWOZGZIC-HSZRJFAPSA-N 404.485 4.726 0 40 HJAB Cc1ccc2nc(NS(=O)(=O)c3cc(Br)c(C)cc3C)sc2c1 72414493 QMJJPLMBICOYSI-UHFFFAOYSA-N 411.346 4.785 0 40 HJAB COc1cccc(C2(C(=O)Nc3cccc(-c4nc(C5CC5)n[nH]4)c3)CCCC2)c1 78717102 DAYLDSWMBSHZSN-UHFFFAOYSA-N 402.498 4.808 0 40 HJAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C(=O)N1CCc1ccccc1 100822708 NMCHFINFRORNIA-QYOOZWMWSA-N 407.513 4.968 0 40 HJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCSCc1ccccc1 219455241 YVTWYCGKQGGNCA-UHFFFAOYSA-N 404.535 4.630 0 40 HJAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 223667525 VFSHYFGLJMVBLR-UHFFFAOYSA-N 417.527 4.548 0 40 HJAB O=C(NCCCc1ccc(Cl)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 223988479 UFNYGCZFIBHFBD-PGMHBOJBSA-N 424.953 4.921 0 40 HJAB CSc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc1NC(=O)C(C)C 224039956 RGCAUYWGWIBLSC-MRXNPFEDSA-N 420.600 4.659 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 224196916 SACAFNLWDYTZJK-QHCPKHFHSA-N 410.533 4.543 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 225046318 YOSWUXCIXCMJLW-OALUTQOASA-N 414.977 4.913 0 40 HJAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225500430 UAPIGKTZYGPPDW-NRFANRHFSA-N 411.571 4.896 0 40 HJAB CCc1ccc([C@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 225697644 PFLBQPBSIZUBDQ-SFHVURJKSA-N 422.550 4.849 0 40 HJAB COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)Nc2ccc(F)cc2)cc1 513118139 YHUFDZPDNNBDRS-UHFFFAOYSA-N 401.441 4.868 0 40 HJAB Cc1cc2c(c(=O)n1C)[C@@H](c1ccc(-c3ccc(Cl)cc3Cl)o1)CC(=O)O2 524735318 RLAOCDQXQVJBCV-CYBMUJFWSA-N 404.249 4.702 0 40 HJAB O=C(c1cc(O)c2ccccc2c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 525928930 LSPHNDBBDRNQAX-SFHVURJKSA-N 404.514 4.731 0 40 HJAB Cc1ccc(N(Cc2ccc(C(=O)Nc3ccccc3C)cc2)S(C)(=O)=O)cc1C 817005 SBOHKGIVDYQUBW-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB O=C1OC(c2ccccc2Br)=N/C1=C\c1ccccc1Br 829603 UPCKNPJLUOGZML-ZROIWOOFSA-N 407.061 4.556 0 40 HJAB CCn1c(COc2ccc(Br)cc2)nnc1SCc1ccccc1 916000 SIUCDWKQXGHUSL-UHFFFAOYSA-N 404.333 4.932 0 40 HJAB CCOC(=O)c1ccc(NC(=O)N2CCC(c3nc4cc(C)c(C)cc4[nH]3)CC2)cc1 1326495 JXCCJXUSSKOIMP-UHFFFAOYSA-N 420.513 4.768 0 40 HJAB O=C(Nc1ccccc1)OC[C@@H](COc1ccccc1)OC(=O)Nc1ccccc1 1696605 SASJMKUFBWOQBM-OAQYLSRUSA-N 406.438 4.931 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccccc2)sc2c1CC[C@@H](C)C2 2080077 XPVQTZGUOLVFTK-RHSMWYFYSA-N 401.528 4.846 0 40 HJAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H](C)SC2=N1 2256383 WVKQZNGKFUZXKK-BONVTDFDSA-N 413.326 4.594 0 40 HJAB Cc1cc(C)c(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1C 2620014 LTWFHWZHKMGGKS-OAQYLSRUSA-N 419.308 4.569 0 40 HJAB O=C(c1cccc(N2C(=O)c3ccccc3C2=O)c1)N1CCC(Cc2ccccc2)CC1 3357887 NIHVUNMGJNSXQV-UHFFFAOYSA-N 424.500 4.582 0 40 HJAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1ccc(I)cc1 3359581 JTIKGYVKPLYZGO-XCVCLJGOSA-N 415.177 4.545 0 40 HJAB Cc1ccc(C)c(OCCOC(=O)c2ccccc2C(=O)N(C)C2CCCCC2)c1 3420793 LOXCWULVGZCVGQ-UHFFFAOYSA-N 409.526 4.944 0 40 HJAB CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 3483299 PBXKUMLOTMXPEM-UHFFFAOYSA-N 400.935 4.514 0 40 HJAB CC(C)N1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(N)=O)C1 4087056 AXUITNITBRLWNP-UHFFFAOYSA-N 419.550 4.533 0 40 HJAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCCc3ccccc3)c(C)c12 4089437 BSYRUSYOAJUEFV-UHFFFAOYSA-N 403.478 4.756 0 40 HJAB biogenic CCOc1ccc2nc(NC(=O)CCC(=O)O[C@H]3CC[C@H](C)[C@H](C)C3)sc2c1 4112026 HPDUZEAHPLHGLC-LZWOXQAQSA-N 404.532 4.782 0 40 HJAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)C1 5100616 RMIRJSKLQTXWMS-WXTAPIANSA-N 418.537 4.643 0 40 HJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NCCC1=CCCCC1 5359184 GKRRNYKAWFTQPK-AWEZNQCLSA-N 402.589 4.829 0 40 HJAB O=C(CC1CCCC1)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 5784836 LSSUPUBOJNMBHI-IBGZPJMESA-N 414.889 4.734 0 40 HJAB O=C(CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)NCCC1=CCCCC1 6229945 ULKUGXIMFVUCPB-VWLOTQADSA-N 413.521 4.720 0 40 HJAB CC(C)CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 6325905 ANPZQCZXTPWDRK-IBGZPJMESA-N 424.541 4.890 0 40 HJAB COc1ccc([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)c(OC)c1 6679144 IXZMWUJHEACFEH-VFNWGFHPSA-N 423.538 4.670 0 40 HJAB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3)c2O1 7454167 ZLEQOPWCIILQQU-UHFFFAOYSA-N 417.461 4.960 0 40 HJAB Cc1ccc(-c2noc(SCC(=O)Nc3ccc(Br)cc3)n2)cc1 7604927 WQRBMKDETVKKBH-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB CC(=O)N(C)Cc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 8327886 XXTUALOAGAYMIG-UHFFFAOYSA-N 405.523 4.804 0 40 HJAB O=C(/C=C/c1cccc(Oc2ccccc2)c1)N1CCN(C(=O)c2cccs2)CC1 8354870 ZFJWDEPQOVUIIU-VAWYXSNFSA-N 418.518 4.538 0 40 HJAB CCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccc(C(=O)OC)cc1 8363725 DGHNINBZLGYVOA-JRLDGGGSSA-N 400.887 4.751 0 40 HJAB Cc1ccccc1NC(=O)COC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 8414841 IBBDCNRLTWBTFL-UHFFFAOYSA-N 416.477 4.622 0 40 HJAB Cc1ccc(C)c([C@H](C)N[C@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)c1 8491751 BOMDGRDQPRQHME-LQGLAIQGSA-N 420.578 4.599 0 40 HJAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C 8959305 NJYVMQJAXSHHJC-UHFFFAOYSA-N 424.541 4.810 0 40 HJAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)cc2Cl)N1C(C)=O 9034021 GYQFWILJIYUNQM-ICSRJNTNSA-N 417.292 4.510 0 40 HJAB biogenic CC(=O)c1sc(NC(=O)c2ccccc2CSc2nc(C)cc(C)n2)nc1C 9387273 YLZOCFJIEVRCQN-UHFFFAOYSA-N 412.540 4.606 0 40 HJAB O=C(Nc1ccccc1Oc1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 9507619 VQSBLSKRGHEZKU-UHFFFAOYSA-N 422.506 4.516 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2 9827792 KNBYSZCNSHWNRJ-UHFFFAOYSA-N 408.841 4.983 0 40 HJAB COc1cc(C)c(NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c23)cc1OC 11213584 FGEBQLYCYGTDKE-UHFFFAOYSA-N 421.453 4.986 0 40 HJAB Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 12441137 YPUYYMWIGOXNNW-UHFFFAOYSA-N 416.308 4.944 0 40 HJAB CC1CCN(c2ccc(NC(=O)CCC(=O)c3ccc4c(c3)OCCCO4)cc2)CC1 12549503 SLDPRIKKXXIHHF-UHFFFAOYSA-N 422.525 4.686 0 40 HJAB CCN(CC)[C@H](CNC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1C)c1ccccc1 12884580 URMFIRXEDWDWSQ-XMMPIXPASA-N 418.585 4.670 0 40 HJAB O=C1C[C@@H](c2ccco2)Cc2nc3nc(SCc4ccc(Cl)cc4)nn3cc21 13634278 CHNMTHYTBNERKK-ZDUSSCGKSA-N 410.886 4.576 0 40 HJAB CCCc1ccc(OCC(=O)Oc2cc(Br)ccc2C(=O)OCC)cc1 13896371 SFSNQRLTGMFLCO-UHFFFAOYSA-N 421.287 4.563 0 40 HJAB CCOc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccccc2)cc1 15412522 UIWFVGCOJVYDDH-RUZDIDTESA-N 414.505 4.823 0 40 HJAB Cc1nc(NC(=S)NC(=O)c2cccc(Cl)c2Cl)ccc1Br 17091744 YVVGTEWDICHQPA-UHFFFAOYSA-N 419.131 4.586 0 40 HJAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1 17093228 ZGKNXAFKCLQWRG-UHFFFAOYSA-N 422.554 4.531 0 40 HJAB CCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c2ccccc21 17167109 HOVCSQVITOIGPO-NDENLUEZSA-N 419.506 4.645 0 40 HJAB COc1ccc(-c2c(C)nn3c(=O)cc(CSc4ccc(C)cc4)[nH]c23)cc1OC 17879115 AQYDSRKBACCSMB-UHFFFAOYSA-N 421.522 4.616 0 40 HJAB COC(=O)c1ccccc1NC(=O)C1(c2ccc(Br)cc2)CCCC1 20096527 XNTWMFQSHUJPFE-UHFFFAOYSA-N 402.288 4.686 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2Cl)cc1 20104659 KXFMJWGCQMYXHJ-UHFFFAOYSA-N 420.962 4.854 0 40 HJAB CCc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20112265 MSPZEHDDYQMEBU-UHFFFAOYSA-N 414.914 4.956 0 40 HJAB CCCCOC(=O)c1ccc2nc(NC(=O)COc3ccc(CC)cc3)sc2c1 20411520 XNJIBPSNWLIQFH-UHFFFAOYSA-N 412.511 4.833 0 40 HJAB CN(C)[C@H](CNCC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 22030002 GLEAMFUGRGEBHP-OAQYLSRUSA-N 403.551 4.708 0 40 HJAB CCCOc1ccc2ccccc2c1CN(C)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 22291495 WOCUVPSCIGWVAR-FQEVSTJZSA-N 420.484 4.852 0 40 HJAB CC(C)c1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccccc3F)n2)cc1 23138356 GBKOYZBYLNMGFO-UHFFFAOYSA-N 411.502 4.506 0 40 HJAB COc1ccccc1[C@@H](CNC(=O)c1cc(C2CC2)nc2ccccc12)N1CCCC1 23795025 GLVHDELEELBORS-XMMPIXPASA-N 415.537 4.688 0 40 HJAB COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 27348623 ZRDUHQYEVSLNMB-KRWDZBQOSA-N 408.285 4.637 0 40 HJAB C[C@@H](C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)n1cccn1 28279474 FFXXXRODNQKTFA-ZDUSSCGKSA-N 402.317 4.997 0 40 HJAB CCOc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 30173470 QHDSKXWGODKYOU-OAQYLSRUSA-N 404.466 4.608 0 40 HJAB CCCn1c(=O)c2cc(F)ccc2n2c(SCc3cccc(Cl)c3)nnc12 33256533 PPTDIIWQRDWNDK-UHFFFAOYSA-N 402.882 4.539 0 40 HJAB COc1ccc(NC(=O)Cc2ccccc2Cl)cc1NC(=O)c1cccc(F)c1 36390860 VAQJKAXCTMOOSY-UHFFFAOYSA-N 412.848 4.921 0 40 HJAB O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc(Oc2ccccc2)cc1 36592860 ABMCLFACQJFXDU-OAQYLSRUSA-N 415.449 4.598 0 40 HJAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cccnc3Cl)c12 36616794 ASFYLMRDYIVQEA-UHFFFAOYSA-N 403.873 4.907 0 40 HJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3cccc4cn[nH]c34)cc12 39551640 RZJQBOJGVGAKQN-UHFFFAOYSA-N 405.458 4.722 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 39752439 WJGQQRYBSXDMKU-UHFFFAOYSA-N 402.513 4.944 0 40 HJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1nccn1Cc1ccccc1 40151745 NLQBMJZUNCATKM-UHFFFAOYSA-N 406.873 4.811 0 40 HJAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCC[C@H]2c2ccccc2C)c1 40152268 JFJMICCRQGBFSH-NRFANRHFSA-N 407.514 4.751 0 40 HJAB COc1cccc(NC(=O)COc2ccccc2-c2nc(-c3cccc(C)c3)no2)c1 46012070 OIKHRJNROCDHJA-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB COc1cc(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)cc(Cl)c1OC 58109396 PAPGCPBDNZCRQP-GOSISDBHSA-N 411.889 4.732 0 40 HJAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)Cc3ccc(Br)cc3)c12 58404780 LVSDKKYCOYUPSM-NSHDSACASA-N 414.303 4.532 0 40 HJAB CCOc1ccc(-c2cc3c(=O)n(Cc4cc(F)ccc4F)ccn3n2)cc1Cl 72329624 OINOWWRFSVDFGY-UHFFFAOYSA-N 415.827 4.542 0 40 HJAB C[C@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)c1ccc(C[C@H]2CCCC2=O)cc1 95472212 KXACXPSPZJFNSK-QFBILLFUSA-N 406.501 4.681 0 40 HJAB CC(C)C[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 95483638 FNBXZQRPOLLYGF-QRVBRYPASA-N 419.308 4.718 0 40 HJAB O=C(NCc1ccncc1)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1 96154371 ANICUGLZWFPWFF-UHFFFAOYSA-N 402.435 4.536 0 40 HJAB CC(C)c1ccc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)cc1 101930266 MHZUFFNLSMMYCF-PUZFROQSSA-N 403.526 4.965 0 40 HJAB Cc1cc(C)cc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1 108015012 PWHMEADRIYZIMJ-QHCPKHFHSA-N 406.507 4.923 0 40 HJAB CC(C)Oc1cccc(CNC(=O)COc2ccc(Br)cc2Cl)c1 218944364 VFXMTWKABCIQAI-UHFFFAOYSA-N 412.711 4.585 0 40 HJAB Cc1ccccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224266984 LYDYAVZCLNKZIY-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB O=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(-c2ccccc2)cc1 224287305 ASDBHROPVFTQIT-UHFFFAOYSA-N 421.453 4.876 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 225074962 SLVBBIJHIRCYEL-MSOLQXFVSA-N 400.950 4.523 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C 225554501 MIGQBJXJCYLCLS-FYYLOGMGSA-N 424.585 4.713 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 225675999 ZNQTYVRTDLAEPL-INIZCTEOSA-N 421.368 4.725 0 40 HJAB COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 225806102 LQTBRMMESZGDED-CYBMUJFWSA-N 419.403 4.574 0 40 HJAB CCOC(=O)COc1ccc(NC(=O)C(CC)(c2ccccc2)c2ccccc2)cc1 225935053 ZXDDEAMBSHKTNM-UHFFFAOYSA-N 417.505 4.963 0 40 HJAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2cccc(Br)c2O)O[C@H]2C[C@@H](C)CC[C@@H]21 257314280 UWELHFASHPZTON-KBBVGDAESA-N 424.379 4.952 0 40 HJAB CCCc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n(C)n1 257335374 YJWWHCWEURRBQE-LJQANCHMSA-N 412.921 4.582 0 40 HJAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCc2ccccc2)cc1 408675979 MKHFRKQFELRFFL-UHFFFAOYSA-N 412.489 4.547 0 40 HJAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCCN1C(=O)c1ccccc1 643564079 FDCPIBMSCQXMCC-QFIPXVFZSA-N 422.569 4.878 0 40 HJAB Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)[C@H]2CCC(=O)C[C@@H]2C)C3)cc1 1136626022 IOTSECBQPFSBSF-UWJYYQICSA-N 419.525 4.529 0 40 HJAB O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 1623248346 GVZUQLAEHWGPEA-CTNGQTDRSA-N 411.933 4.864 0 40 HJAB COc1c([C@@H](CC(C)C)OC(C)=O)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 606756 NUYFKDBCHFKOBT-LJQANCHMSA-N 414.454 4.822 0 40 HJAB biogenic,in-vitro CCOc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 902110 DDBPNFNMZAQHLP-UHFFFAOYSA-N 423.416 4.885 0 40 HJAB CC(C)OC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1 976307 WQCFPSRQLZQOBC-UHFFFAOYSA-N 416.934 4.577 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1 1401708 OFJFMONBGWTFJG-UHFFFAOYSA-N 415.824 4.654 0 40 HJAB CCOC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)n1 1415750 UMQYCWLWAIWLOC-UHFFFAOYSA-N 401.797 4.845 0 40 HJAB COc1cc(OC)c([C@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)c(OC)c1 2146019 XMQWMTWBFQYAMD-RPBOFIJWSA-N 420.461 4.614 0 40 HJAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 2315467 FJGXUISZEFCNAC-UHFFFAOYSA-N 400.478 4.606 0 40 HJAB COc1ccccc1OCc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCC5)o1 2786199 FDIAZPBORQVOLO-UHFFFAOYSA-N 418.478 4.675 0 40 HJAB Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=C1\N=C(c2ccccc2)OC1=O 3175388 NNMXTYUWNQCYJB-XLNRJJMWSA-N 412.493 4.516 0 40 HJAB Cc1cc2nnc(SCC(=O)c3ccc(Br)s3)n2c2ccccc12 3295166 BLCINUJIFLSUJQ-UHFFFAOYSA-N 418.341 4.990 0 40 HJAB CC(=O)c1ccc(NC(=S)Nc2ccccc2C(=O)NCc2ccccc2)cc1 3504213 OFHWGXHKZSTZDP-UHFFFAOYSA-N 403.507 4.628 0 40 HJAB CCCSc1nnc2n(-c3cccc(C)c3)c(=O)c3c4c(sc3n12)CCCC4 3767003 MWMPRTMUKRTIKD-UHFFFAOYSA-N 410.568 4.784 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1ccccc1F 4519832 HQBNZNNKPAGQCF-UHFFFAOYSA-N 402.520 4.557 0 40 HJAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(Cl)cc3)c3ccccc32)c(C)c1 4556257 MWAWYFFGZHKIOL-VWLOTQADSA-N 419.908 4.964 0 40 HJAB CCOC(=O)[C@@H](C)Oc1ccc2oc(=O)cc(-c3cc4cccc(OC)c4o3)c2c1 4586209 FFFOXEXYJUVREJ-CYBMUJFWSA-N 408.406 4.545 0 40 HJAB biogenic O=C(C[C@@H](Cc1ccc(Cl)cc1)C(=O)O)NCCC12CC3CC(CC(C3)C1)C2 4698077 LGGFUJZHTJCELL-GYVBGXKYSA-N 403.950 4.696 0 40 HJAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc(O)c2)n2c(nc3ccccc32)N1 4731523 GFPYNSYXEUQWKR-QHCPKHFHSA-N 410.477 4.978 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 4816573 FLFQELOVRNPQNR-YADHBBJMSA-N 404.514 4.709 0 40 HJAB COc1ccc(-n2c(SCc3cc(C)ccc3OC)nnc2-c2ccncc2)cc1 5260118 TWTIUVIEHFXIFU-UHFFFAOYSA-N 418.522 4.947 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c1 5379951 VIUILAJMMBREIR-OAQYLSRUSA-N 407.514 4.859 0 40 HJAB biogenic Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1N1CCCC1=O 5440661 GEBGFFPFYAEGNK-UHFFFAOYSA-N 407.695 4.790 0 40 HJAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2C(N)=O)C1 6202317 KRPJSHRQZJRMCH-HNNXBMFYSA-N 420.534 4.803 0 40 HJAB Cc1cc(OCC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)ccc1Cl 6202792 GHWOLWXFCIDPBE-MRXNPFEDSA-N 416.930 4.849 0 40 HJAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1nc2ccc(Cl)cc2s1 6566641 VJGWHLFMJMHZMF-UHFFFAOYSA-N 408.310 4.752 0 40 HJAB CCC[C@H](C)NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 6946396 MBGNDTJIHDYQNU-IBGZPJMESA-N 416.587 4.619 0 40 HJAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Cl)c1OCc1ccc(C)cc1 6951199 YPAMKAWQABWINK-WOJGMQOQSA-N 414.889 4.539 0 40 HJAB COc1c(C)cc(Br)cc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 8560733 DKCMKLYQYKVCPD-UHFFFAOYSA-N 406.276 4.584 0 40 HJAB COc1ccc(-c2nc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3o2)cc1 8586682 NZHJQCPUFWDEDG-UHFFFAOYSA-N 414.870 4.958 0 40 HJAB Cc1cc(C)nc(O[C@@H](C(=O)O)C(OCC(C)C)(c2ccccc2)c2ccccc2)n1 9514015 BSTDTMTYEAJBGB-QFIPXVFZSA-N 420.509 4.542 0 40 HJAB CC(C)n1ncc2c(C(=O)OCc3ncc(-c4ccccc4)o3)cc(C3CC3)nc21 9591875 MYKGXVAVUVWYID-UHFFFAOYSA-N 402.454 4.902 0 40 HJAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2c(Cl)ccc(Cl)c2s1 9707703 NWYJWNYSMLKIEB-UHFFFAOYSA-N 415.323 4.649 0 40 HJAB COc1ccc(-c2ccc(SCC(=O)Nc3nc4ccc(C)cc4s3)nn2)cc1 12140457 PXFSRLRDSOPPNV-UHFFFAOYSA-N 422.535 4.801 0 40 HJAB COc1cc(CSCc2csc(NC(=O)c3cccs3)n2)cc(OC)c1 12230268 URJALDIKAZMRIL-UHFFFAOYSA-N 406.554 4.908 0 40 HJAB CCC(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)cs1 12241411 XEXCOQONSDBNBE-UHFFFAOYSA-N 423.513 4.915 0 40 HJAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[nH]c3=O)n2)cc1 12785189 DSJOLLRNGCAYAV-CYBMUJFWSA-N 410.543 4.595 0 40 HJAB COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)c1cc(=O)oc2cc(OC)ccc12 13723923 ZIVIOGXNABJZPG-OAHLLOKOSA-N 407.249 4.608 0 40 HJAB CN(CN1C(=O)NC2(CCCCCCC2)C1=O)[C@@H](c1ccccc1)c1ccc(F)cc1 14197188 QFYAGBZPYDPJGC-QFIPXVFZSA-N 423.532 4.839 0 40 HJAB COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)ccc1O 16009947 YQITXDDUZAGSSZ-SXSPYAJSSA-N 401.934 4.923 0 40 HJAB biogenic,in-vitro CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NCc1cccnc1 16749679 ACUOYXZHZKBHKX-UHFFFAOYSA-N 401.403 4.549 0 40 HJAB CN1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)c2nc3ccccc3nc21 17364745 ZFCGHGXTFUIJNI-UHFFFAOYSA-N 402.429 4.516 0 40 HJAB CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1C[C@@H](C)C[C@@H](C)C1 17887460 UUJPOMSUSTWSJI-IYBDPMFKSA-N 408.546 4.767 0 40 HJAB COc1ccc(C(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)s1 19564886 XNAIIOVBDUKQAI-UHFFFAOYSA-N 407.442 4.559 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCO[C@@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19692528 SXSNEERQOXVPRV-JOCHJYFZSA-N 410.876 4.684 0 40 HJAB COc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3ccc(C)cc3)s1)C=CO2 19810002 VOYPBTXOSURAGE-UHFFFAOYSA-N 404.491 4.979 0 40 HJAB CC(=O)c1ccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)s1 22232811 NTNINCBCGBAEHZ-UHFFFAOYSA-N 415.518 4.793 0 40 HJAB O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 22412210 ZGSCLTVLXIAJQY-UHFFFAOYSA-N 419.865 4.924 0 40 HJAB COc1ccc(-c2nc(NC(=O)c3cccc(Nc4ncccn4)c3)sc2C)cc1 28104807 DIOMWHPDMBTCDG-UHFFFAOYSA-N 417.494 4.913 0 40 HJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4Cc5cc(C)cc(O)c5[C@@]4(C)C(=O)C[C@H]32)C1 33714042 WMRIDQKUHHKMSD-WEYSNWJWSA-N 410.554 4.868 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1ccc(C)cc1)CC2 37215247 SZOPSXDBAIVLDO-DEOSSOPVSA-N 422.550 4.660 0 40 HJAB O=C(Nc1cccc(Br)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 39755529 ZBVUAWBOTNGCPS-UHFFFAOYSA-N 407.739 4.953 0 40 HJAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)[C@@H](Oc1ccccc1)c1ccccc1 40133142 SAGVQAXYUOAYBN-PKTZIBPZSA-N 416.477 4.563 0 40 HJAB Cc1nn2c(nnc3c(=O)n([C@H]4CCCC[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40395987 KYNHBMIQHVQRSZ-GUYCJALGSA-N 407.905 4.819 0 40 HJAB Cc1nnc(SCc2c(C(=O)N[C@@H](C)c3ccccn3)oc3ccccc23)s1 57994820 NJZTYTGVEKBVGR-LBPRGKRZSA-N 410.524 4.771 0 40 HJAB CSC1=NC2(CCN(C(=O)NCc3ccccc3)CC2)N=C1c1ccc(C)c(C)c1 65329827 AUZWLNUSQDTNTE-UHFFFAOYSA-N 420.582 4.570 0 40 HJAB CC(C)(C)c1nc(C(C)(C)NC(=O)c2cnc(-c3ccc(Cl)s3)s2)no1 65403076 XYXCOHPHOVZFBB-UHFFFAOYSA-N 410.952 4.871 0 40 HJAB O=C(NCC1CCN(c2nc3ccccc3s2)CC1)c1c(F)cccc1Cl 70931583 QVSZTXVIOBBRCS-UHFFFAOYSA-N 403.910 4.735 0 40 HJAB CCCCN(C)C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 96037442 JVASXTIVAQDMRW-UHFFFAOYSA-N 401.514 4.657 0 40 HJAB Cn1cccc1CNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344102 NBWVFGKTTUPCCM-QHCPKHFHSA-N 419.569 4.526 0 40 HJAB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@]12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 100822507 LUVGDQLCCMZRFO-VVOBYCCISA-N 404.869 4.610 0 40 HJAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 109144074 GCTUWNWNOCVPLE-YGRLFVJLSA-N 400.331 4.830 0 40 HJAB CCOC(=O)c1cn(Cc2cccc(Cl)c2)c2ccc(C(F)(F)F)cc2c1=O 199731217 ZHYCRALJMYKTJW-UHFFFAOYSA-N 409.791 4.899 0 40 HJAB Cc1ccccc1CSCCNC(=O)COc1cc(C)c(Br)c(C)c1 218835604 AJXOCKSEGFGYKJ-UHFFFAOYSA-N 422.388 4.803 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 223034574 NNVUXLCGAVUIMS-KRWDZBQOSA-N 420.296 4.826 0 40 HJAB CCOc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 223104338 XBLFPVNUYSBMGT-HKWRFOASSA-N 422.506 4.565 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 223537528 BQRTXSVLYRHFFA-NRFANRHFSA-N 414.549 4.762 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@H](C)c3ccccc3)ccc2C)c1 223942450 OMYUOJVFLMLBEM-IBGZPJMESA-N 422.550 4.638 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C 224178783 SJXYDSSAMJVZEF-QFIPXVFZSA-N 424.585 4.615 0 40 HJAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 224428573 VHHJYYGDJZCPJN-FGZHOGPDSA-N 418.497 4.841 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 224508760 RDZVXKXXMJPTSB-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB O=C(NCc1cccc(CN2CCCC2)c1)c1ccccc1OCc1ccccc1 224618429 KFMAGNQHBZKFFX-UHFFFAOYSA-N 400.522 4.791 0 40 HJAB Cc1ccc(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1Cl 224777182 VMSKCPVIJKBESK-UHFFFAOYSA-N 417.015 4.526 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225011325 MQRIXFRMKRVFCY-JKSUJKDBSA-N 421.368 4.868 0 40 HJAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(CC)cc1 225447995 RBENMBXQWFDEJV-XMMPIXPASA-N 408.586 4.558 0 40 HJAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21 225637987 ULNBZHKVHPGKMA-UHFFFAOYSA-N 422.506 4.579 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 225718740 AGYYTCPGFGOGNB-JOCHJYFZSA-N 410.558 4.521 0 40 HJAB CC(C)Oc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)Cc3ccccc3C2)cc1 225945342 SKAIRFNGMMYFRO-UHFFFAOYSA-N 415.489 4.878 0 40 HJAB COc1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1OC 226343572 WJLPGXWUTRKICM-UHFFFAOYSA-N 412.081 4.772 0 40 HJAB Fc1ccc(CN2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)nc1 257293639 QQMYHEDRDWGGAG-PZJWPPBQSA-N 402.897 4.769 0 40 HJAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(OC)c3)o2)c1 257337280 YSDBVHVMLGHZGF-HSZRJFAPSA-N 420.509 4.579 0 40 HJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C[C@H]2CCCO2)c1 260927652 ZIQKSRZINQKGRX-UEVCKROQSA-N 418.566 4.548 0 40 HJAB CCc1c(C)[nH]c2c(-c3ccccc3)c(-c3cccc(Br)c3)nn2c1=O 409070776 GUDPGFWQOKUTAP-UHFFFAOYSA-N 408.299 4.990 0 40 HJAB CCCCNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccc(CC)cc1 409210403 JMZYDTXDXWDARG-UHFFFAOYSA-N 422.598 4.623 0 40 HJAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1 409363370 WIOKGBNOXMXYLC-MOSHPQCFSA-N 424.522 4.767 0 40 HJAB COc1ccccc1-n1c(NC(=O)c2ncccc2C(F)(F)F)nc2ccccc21 536114048 SCGNKKOCUUOAIV-UHFFFAOYSA-N 412.371 4.700 0 40 HJAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@]2(CCCN2C[C@@H]2CCCO2)CC1 585100117 FZISPMPHDNIOLO-BKMJKUGQSA-N 423.601 4.517 0 40 HJAB Cc1ccc(C(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2c2ccccc2)cc1 824816 NRHBNKUDUUWEFE-NRFANRHFSA-N 400.503 4.775 0 40 HJAB COc1ccc(-c2cc(-c3ccccc3)c3c(N)c(S(C)(=O)=O)sc3n2)cc1 911438 LZEUNBDVOASZPO-UHFFFAOYSA-N 410.520 4.625 0 40 HJAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NCc4ccco4)c23)C1 1377270 YIADRZLRZHQEHL-LBPRGKRZSA-N 413.568 4.695 0 40 HJAB COC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc(C)c1-c1ccccc1 1973932 RKTNGHJYUZVOSX-UHFFFAOYSA-N 411.479 4.780 0 40 HJAB Cn1c(SCC(=O)c2ccccc2Br)nnc1-c1cccc(Cl)c1 2241375 HWAWJAYVQGMLBC-UHFFFAOYSA-N 422.735 4.873 0 40 HJAB O=C(NCc1ccc(Cl)cc1)c1cccc(-n2c(=S)[nH]c3ccccc3c2=O)c1 2973939 FFEAWJRJEVSEBJ-UHFFFAOYSA-N 421.909 4.632 0 40 HJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(I)cc1 4155774 UPUNOYGHWFWPAU-LLVKDONJSA-N 415.658 4.659 0 40 HJAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1 4362177 GUAWYYNOBUTNOR-UHFFFAOYSA-N 400.935 4.990 0 40 HJAB CC1(C)Cc2nc3sc4c(=O)n(Cc5ccc(Cl)cc5)cnc4c3cc2CO1 4384677 GHUOUUKICIMNEK-UHFFFAOYSA-N 411.914 4.559 0 40 HJAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32C(=O)N(C)c3ccc(C)cc32)cc1 4859876 AOULRMHNQOUIKM-JYFHCDHNSA-N 409.489 4.676 0 40 HJAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 5253467 ZYDQKCMGLCHIGY-GBXCKJPGSA-N 400.434 4.666 0 40 HJAB Cc1nc(SCC(=O)Nc2ccccc2OC(F)F)c2c(C)c(C)sc2n1 5428768 ZCNRDQUQPIIXME-UHFFFAOYSA-N 409.483 4.949 0 40 HJAB Cc1ccc(-c2noc(CN(C(=O)COc3ccc(Cl)c(C)c3)C(C)C)n2)cc1 6736988 ZBBUNMBDCDQIJJ-UHFFFAOYSA-N 413.905 4.823 0 40 HJAB CCOc1cc2c(cc1[C@@H]1Nc3ccccc3C(=O)N1Cc1ccco1)O[C@H](C)C2 7112955 HCFKAGUULIOCIM-IQMFZBJNSA-N 404.466 4.768 0 40 HJAB COc1ccc(-c2nc(C)c(C(=O)NCCSc3ccccc3)s2)cc1OC 7434609 AJKIZYSUAOADEK-UHFFFAOYSA-N 414.552 4.658 0 40 HJAB Cc1cc(OCc2n[nH]c(S[C@@H](C)C(=O)NCC3CCCCC3)n2)ccc1Cl 8277722 BOYHAFJHTDRQQU-AWEZNQCLSA-N 422.982 4.523 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)sc2c1CCCC2 8497733 SCMSLDVUPLRNEW-OAHLLOKOSA-N 401.528 4.826 0 40 HJAB O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)OCc1ccccc1 10220760 FNBXFVJKMFOFPO-UHFFFAOYSA-N 422.506 4.577 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10327779 XCKSCSQKIXYXJZ-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCOc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccc(F)cc3)sc2c1 10381583 CPYJCIXGDQCSNL-UHFFFAOYSA-N 424.501 4.768 0 40 HJAB COc1ccc2cc(CNC(=O)N(C)Cc3ccc(OC(F)F)cc3)ccc2c1 10495217 AUKVFQWAJZLQBY-UHFFFAOYSA-N 400.425 4.791 0 40 HJAB COc1ccc(-n2nnc3c(SCc4ccc(Cl)cc4Cl)ncnc32)cc1 11758696 CBJZPPGEIFASEN-UHFFFAOYSA-N 418.309 4.818 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccn4c3NC(C)(C)C)C2)s1 12088148 RINUEJDFBHKXGH-OAHLLOKOSA-N 412.559 4.635 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(Cc1cccc(F)c1)C(=O)O3 12755027 GMUTZCOIAVHMCF-UHFFFAOYSA-N 406.392 4.522 0 40 HJAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 12971963 KRKXHNSEOKGBNF-UONOGXRCSA-N 419.312 4.561 0 40 HJAB Cc1ccc(NC(=O)c2ccsc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 13003167 KPEUJVAKKIFWRA-UHFFFAOYSA-N 406.916 4.763 0 40 HJAB Cc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)on1 13595652 CRUYHZKRHADSCB-UHFFFAOYSA-N 410.524 4.561 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@H]2C(=O)N1c1ccccc1Cl 13811169 XFHQPKHHKCFCDY-QHAWAJNXSA-N 422.843 4.530 0 40 HJAB CC1(C)CC(N(Cc2ccncc2)Cc2ccc(Br)o2)CC(C)(C)N1 13992713 OIRSOBIONYEEDY-UHFFFAOYSA-N 406.368 4.749 0 40 HJAB COc1ccc(C(=O)C2CCN(Cn3cc(C(F)(F)F)ccc3=S)CC2)cc1 14189255 RWLXGSPQCZMJKF-UHFFFAOYSA-N 410.461 4.797 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)/C=C/c1cccs1)CC2 16002298 LDPCVTMQYSSUSX-LTDXDOBXSA-N 405.519 4.953 0 40 HJAB COc1ccc(/C=C2\SC(=O)N(CNc3cccc(Br)c3)C2=O)cc1 16215889 YTBCOPSGNYZAJB-SXGWCWSVSA-N 419.300 4.564 0 40 HJAB O=C(NC(=S)Nc1cc(Cl)ccc1O)c1ccc(OCc2ccccc2)cc1 17089415 JFBSPHUWKUYHGW-UHFFFAOYSA-N 412.898 4.751 0 40 HJAB CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc1Cl 17091986 NUVIQXYBRPIBKZ-UHFFFAOYSA-N 419.717 4.878 0 40 HJAB COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(Cc4ccccc4)C[C@H]23)c1 19566349 SRQBVBMBGKWEBE-TWJOJJKGSA-N 418.581 4.702 0 40 HJAB Cc1cc(Cc2ccccc2F)cc(C2CCN(C(=O)CC[C@@H]3CCCO3)CC2)n1 19691813 VJRKWJWSXDQPHR-QFIPXVFZSA-N 410.533 4.785 0 40 HJAB Cc1nc([C@H]2CCCN2C2CCCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19743120 UTNGFMUNJHAGQH-JOCHJYFZSA-N 422.548 4.873 0 40 HJAB COc1ccc(C(=O)C[C@@H](c2ccccc2)N2CCN(c3ccccc3)CC2)cc1 19944802 SDDXAPOKWOBOQN-VWLOTQADSA-N 400.522 4.832 0 40 HJAB CC[C@H](C)Nc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20391326 QOTJUZCVTXAPLS-ZDUSSCGKSA-N 411.575 4.901 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1 20457024 GJSUGTNFMSMSNJ-SFHVURJKSA-N 408.523 4.595 0 40 HJAB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2ccccc2C)n2c1nc1ccccc12 20675881 OHOJNZLHXQFCCK-YADHBBJMSA-N 419.525 4.650 0 40 HJAB CCCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl 21874573 GOKUGWBHRBILGZ-UHFFFAOYSA-N 415.342 4.633 0 40 HJAB Cc1ccc([C@@H](c2sc3ncnn3c2O)N2CCC(Cc3ccccc3)CC2)cc1 22609259 RLHAABWUEQPUKM-NRFANRHFSA-N 418.566 4.849 0 40 HJAB COc1cc(C(=O)N(Cc2cccc(Cl)c2)c2ccccn2)cc(OC)c1OC 28292938 CLOOWOFHRVJZEK-UHFFFAOYSA-N 412.873 4.608 0 40 HJAB CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(C)cc2C)c2cc(Cl)ccc21 32100506 XYZYRZRQSAAHMH-QHCPKHFHSA-N 420.900 4.787 0 40 HJAB CCCOc1ccc(NC(=O)c2cc(=O)c3cc(CC)ccc3o2)c2cccnc12 32623486 VGZFUEMMWZRCIL-UHFFFAOYSA-N 402.450 4.945 0 40 HJAB COC(=O)c1c(NC(=O)C2=Cc3ccc(C)cc3OC=C2)sc2c1CC[C@@H](C)C2 33321310 QGWQHFLBDHBOGM-CQSZACIVSA-N 409.507 4.896 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 43398484 JTXQSPGKLCSBHY-HXUWFJFHSA-N 415.921 4.554 0 40 HJAB CCN(C(=O)CSc1nc2ccsc2c(=O)n1CC(C)C)c1cccc(C)c1 57426206 XMDSCVKYZDEXBH-UHFFFAOYSA-N 415.584 4.568 0 40 HJAB CC(C)c1cc(C(=O)Nc2cccc(CN(C)C(=O)C(F)(F)F)c2)nn1C(C)(C)C 58045571 JERPFWWLJMJVRT-UHFFFAOYSA-N 424.467 4.535 0 40 HJAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCC[C@@H]1c1cccc(Br)c1 58358102 MOTHEOFCMPJKHU-HXUWFJFHSA-N 410.315 4.541 0 40 HJAB Cc1nc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c2c3c(sc2n1)CCC3 65477869 LFNYDQOIOXJNID-OAHLLOKOSA-N 416.591 4.572 0 40 HJAB CC(C)(C)n1ncc2c1N=C1NC(=O)N(c3ccccc3)[C@@H]1[C@@H]2c1ccc(F)cc1 66091489 QRFAKHADZYSJMT-RTBURBONSA-N 403.461 4.551 0 40 HJAB Cc1ccc(CC(=O)N2CCC[C@H](c3nnc(-c4nccc5ccccc45)o3)C2)cc1 72390129 ZECWXRPUVFRCMO-FQEVSTJZSA-N 412.493 4.542 0 40 HJAB CCCCN(CC)Cc1cccc(CNC(=O)Nc2cccc(-c3nnco3)c2)c1 79075992 LXJWFEHQUJMDDS-UHFFFAOYSA-N 407.518 4.680 0 40 HJAB C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(COc2ccc(F)cc2)o1 84641022 GLDPEZMZDJMAJF-AWEZNQCLSA-N 410.470 4.968 0 40 HJAB Fc1ccc(-c2nc(CN[C@@H](c3ccc(Cl)cc3)c3ncon3)cs2)cc1 95976700 RFWBMBLZJVSODX-KRWDZBQOSA-N 400.866 4.865 0 40 HJAB O=C(Nc1ccccc1)N1C[C@H]2CN(CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 96245600 MBKQVMDLCDLFBL-DNQXCXABSA-N 411.549 4.914 0 40 HJAB CCN(C(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl)[C@@H]1CCCc2cccnc21 97105108 RUSVEAXHMBIXBB-TZZQJPOUSA-N 400.954 4.835 0 40 HJAB C[C@@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(Br)o1 97105392 WYDAWZABLNOQLC-CYBMUJFWSA-N 400.276 4.540 0 40 HJAB COc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1cccc(F)c1 107985934 TXVVLIQXUIIMQJ-UHFFFAOYSA-N 424.335 4.947 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 222405609 XOKLQKIJSVBMGW-JOCHJYFZSA-N 414.977 4.913 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C 222696428 MFYNZBHPJVYZNA-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 223154022 DFGMBVFWVHCQIB-FQEVSTJZSA-N 418.990 4.684 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 223207172 IXKPPDWYETVGQC-OAQYLSRUSA-N 414.977 4.913 0 40 HJAB COc1ccc(CCC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1C 223364704 XWOIUUQCMSIVAH-UHFFFAOYSA-N 407.485 4.971 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 223435835 FUPUVMFSUOCGDG-JOCHJYFZSA-N 412.549 4.707 0 40 HJAB CC(C)c1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 223746381 ZMLDOYFTEYCZIF-HXUWFJFHSA-N 422.569 4.665 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 224633038 NOICNEWYDYTVSI-QGZVFWFLSA-N 418.990 4.517 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 225125764 BSIMOOZIFNDPRV-HSZRJFAPSA-N 424.585 4.633 0 40 HJAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 225148846 SDWHPQBZNYIACE-UHFFFAOYSA-N 413.495 4.606 0 40 HJAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 225821850 XTZRJSQFPYOMAM-OAQYLSRUSA-N 417.571 4.648 0 40 HJAB COc1cc(-c2nc3ccc(N4Cc5ccccc5C4=O)cc3o2)cc(OC)c1OC 226286813 VYVLMBACTKPHQB-UHFFFAOYSA-N 416.433 4.681 0 40 HJAB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 408658816 IYBAOCQNBQVALW-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB CC1=C(c2ccccc2)N[C@@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)S1 408910729 JALVIZBPWBWQAY-WYRIXSBYSA-N 409.338 4.886 0 40 HJAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCc2ccccc2Cl)n1C 409350048 XAZPNBYOPPEJLT-GOSISDBHSA-N 414.962 4.888 0 40 HJAB Cc1cc2nc3s/c(=C\c4ccc(OCc5ccccc5)cc4)c(=O)n3c2cc1C 409393355 QNKDRCGAPGSKQE-UCQKPKSFSA-N 412.514 4.653 0 40 HJAB COc1ccccc1-c1ccccc1CN1CCC[C@H]1c1ccc(CNC(C)=O)cn1 585261841 VGAVYXJTUKBZBU-VWLOTQADSA-N 415.537 4.730 0 40 HJAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(-c3ccc(C(N)=O)cc3)ccc21 643578011 MSQXFNQQIWSOPP-UHFFFAOYSA-N 421.585 4.980 0 40 HJAB COc1ccc(N[C@H](c2ccc(C)cc2)n2ncc3c(=O)n(C)c4ccccc4c32)cc1 1095989 NHNDMGXLBVLYPA-VWLOTQADSA-N 424.504 4.864 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)cc1 1361134 ZDVHAHUGHCVGAD-UHFFFAOYSA-N 422.510 4.781 0 40 HJAB CCCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3ccc(OC)cc23)c1 1777841 PLWRVJSFMTXYOF-UHFFFAOYSA-N 408.454 4.731 0 40 HJAB Brc1ccc(CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1 2229910 VVWUEXDJVYXHAO-UHFFFAOYSA-N 424.327 4.779 0 40 HJAB Cc1ccc([C@]2(CCNS(=O)(=O)c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)cc1 2237265 IDNUCAKYMLCODK-DNQXCXABSA-N 415.599 4.745 0 40 HJAB COc1ccc(C(=O)N2c3ccccc3N(Cc3ccccc3)C(=O)C2(C)C)cc1 2298796 VMMMDXFFZCPOMZ-UHFFFAOYSA-N 400.478 4.667 0 40 HJAB Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 2413168 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Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2[S@@](=O)c2ccc(Cl)cc2)cc1 6183537 XTPZVMWYKOLMQQ-AREMUKBSSA-N 419.955 4.660 0 40 HJAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 6328319 HOMGEDWTWIPJEG-MRXNPFEDSA-N 404.897 4.961 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1cccc(Cl)c1Cl 6501067 VZYGUZYHTIZBPB-UHFFFAOYSA-N 403.718 4.847 0 40 HJAB O=C(CNC1CCCCC1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 6505812 DNGWCOCLBDBHBK-UHFFFAOYSA-N 419.447 4.819 0 40 HJAB Cc1ccc2cc(CN(C)CC(=O)Nc3ccc(F)c(F)c3F)c(Cl)nc2c1 6552608 SGVUXWSYYDYKCU-UHFFFAOYSA-N 407.823 4.684 0 40 HJAB Cc1nc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)sc1C(=O)N(C)C 6875920 JQQLWAPXCBNJBI-MRXNPFEDSA-N 414.918 4.755 0 40 HJAB C[C@@H](NC(=O)CNc1ccccc1N1CCCC1=O)c1ccc(-c2ccccc2)cc1 8156755 RIMZONXXMXVUJW-LJQANCHMSA-N 413.521 4.770 0 40 HJAB O=C(COC(=O)c1ccccc1Cl)Nc1ccc(Br)cc1Cl 9765922 BFXILBLFEGBZLM-UHFFFAOYSA-N 403.059 4.551 0 40 HJAB CC(C)Nc1nnc(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)s1 11151207 JFKDEVMXVVRUOZ-UHFFFAOYSA-N 412.584 4.699 0 40 HJAB COc1ccc2cc(CN(CCc3ccccc3)Cc3ccncc3)c(OC)nc2c1 13990165 ZEEMZFJBOPRIHI-UHFFFAOYSA-N 413.521 4.892 0 40 HJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(C)c(C)c2)CC1=O 14095549 QVRODLSUQNBEDA-FQEVSTJZSA-N 405.542 4.848 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2Cl)c(C)c1 14153889 CSUPLSJWCWIYAV-UHFFFAOYSA-N 420.962 4.630 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccccc2)cc1 14609667 LGTWCHVQATYYHH-UHFFFAOYSA-N 404.857 4.849 0 40 HJAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(F)ccc3C)C2)c2ccccc12 16884334 MYFNTBKBGJWYRC-KRWDZBQOSA-N 420.484 4.787 0 40 HJAB COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 16884651 LJQNXZHKBHLBMZ-UHFFFAOYSA-N 402.494 4.648 0 40 HJAB O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccc(Br)cc1 17092570 ZOGHQIWAQMSFMH-UHFFFAOYSA-N 421.250 4.502 0 40 HJAB CC(=O)Nc1c(C(=O)NCCc2nc(-c3ccccc3)cs2)[nH]c2ccc(C)cc12 19220051 MMFWTBMKRWFKHJ-UHFFFAOYSA-N 418.522 4.531 0 40 HJAB CCN(C(=O)Cc1ccc(F)cc1)[C@H]1CCO[C@@H](c2cccc(-c3cncnc3)c2)C1 19711918 XBYCWNQQWQLJIR-BJKOFHAPSA-N 419.500 4.594 0 40 HJAB O=C(Cc1c(F)cccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20509518 WLTSAVQFRRRQMG-UHFFFAOYSA-N 422.931 4.955 0 40 HJAB O=C1N(C2CCCC2)C(c2ccccc2)=N[C@@]1(Nc1ccc(Cl)cn1)C(F)(F)F 20623205 NYEHFQMQEZRNCP-LJQANCHMSA-N 422.838 4.637 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 22532511 DPRBQSLPQOOCDZ-LJQANCHMSA-N 422.550 4.904 0 40 HJAB O=C(NCc1coc(-c2cccs2)n1)c1cc2cc(Br)ccc2[nH]1 23022970 NQXPPYSNFXKXSW-UHFFFAOYSA-N 402.273 4.577 0 40 HJAB O=C(c1ccc(CSCc2ccc(C(=O)N3CCCC3)cc2)cc1)N1CCCC1 25083537 JMFOGRYJOGJZBP-UHFFFAOYSA-N 408.567 4.592 0 40 HJAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)N[C@@H](Cc1ccccc1)c1ccccc1 25622975 QMCBJNCTNNGMHN-QFIPXVFZSA-N 415.489 4.521 0 40 HJAB COC(=O)CC[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 32296900 ZHUOOEGSSFNTNP-JZJCXRCQSA-N 406.607 4.566 0 40 HJAB COc1ccc(NC(=O)CSCc2cc(=O)c3cc(C)cc(C)c3[nH]2)cc1Cl 33064056 XBOPJRCRVJYOFD-UHFFFAOYSA-N 416.930 4.679 0 40 HJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]4Cc5cc(C)cc(O)c5[C@@]4(C)C(=O)C[C@H]32)C1 33714044 WMRIDQKUHHKMSD-BQDBZJMTSA-N 410.554 4.868 0 40 HJAB Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2cc(Cl)ccc2o1 33774338 KFAYOBSTCYPTST-UHFFFAOYSA-N 416.865 4.752 0 40 HJAB CCc1ccc2nc(C(=O)OC)cc(Nc3cc(Cl)c(OC)cc3OC)c2c1 38653220 VRXOVGVZFFFNDT-UHFFFAOYSA-N 400.862 4.998 0 40 HJAB Cc1cc(C(=O)Nc2cccc(CN3CCCC3=O)c2)c(C)n1Cc1ccccc1 40072307 QCPOMQKWCLYVDP-UHFFFAOYSA-N 401.510 4.528 0 40 HJAB CN(CC1CC1)Cn1nc(-c2cc(-c3ccccn3)nc3ccccc23)oc1=S 40149242 DPNIGEBOKRWIQR-UHFFFAOYSA-N 403.511 4.782 0 40 HJAB COc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)c1 46078698 XIBOZLHXIQUVRI-UHFFFAOYSA-N 400.478 4.849 0 40 HJAB O=C(CCSc1ccccc1)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 58003350 PCUZKBATCTUDNR-UHFFFAOYSA-N 405.445 4.690 0 40 HJAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 58164471 BPGKVRAFJRRUSC-UHFFFAOYSA-N 400.400 4.903 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(Br)c3)o2)cc1 63887751 RXQFMUOFDQCBGM-UHFFFAOYSA-N 401.260 4.684 0 40 HJAB COc1cc(C)ccc1O[C@H](C)C(=O)NCc1sc(-c2cccs2)nc1C 90592689 YXJPTUUKVSCCLR-CQSZACIVSA-N 402.541 4.581 0 40 HJAB Cc1ccc(NC(=O)CCc2c(C)nn(CCC(=O)Nc3ccc(C)cc3)c2C)cc1 95348971 KMZRCIQBFNCBNG-UHFFFAOYSA-N 418.541 4.717 0 40 HJAB Cc1ccc(-c2nnc([C@H](C)N3CCN(Cc4ccc(Cl)s4)CC3)o2)cc1 96124637 XNQAZCDMWGLRTK-HNNXBMFYSA-N 402.951 4.639 0 40 HJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)Cc3ccccc3F)CC2)n1 100738825 WRYFMYQOBHVRMS-PUZFROQSSA-N 418.516 4.619 0 40 HJAB Cc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1C 107581244 IYUFNHBMQQOKSB-HSZRJFAPSA-N 406.507 4.923 0 40 HJAB CC[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 219007201 OUAWXJISQHPPBA-DEOSSOPVSA-N 421.562 4.756 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)cc1 223070799 ALDCGEHWTRHAQF-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 223300816 DYJILVUEXRXSQU-HSZRJFAPSA-N 408.586 4.876 0 40 HJAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C 223892295 MQAPBZOFCWKZBT-XZOQPEGZSA-N 419.598 4.763 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 224205459 WFUVFRYIZSUIOY-UHFFFAOYSA-N 422.550 4.943 0 40 HJAB O=C(NCCc1ccc(Cl)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 224548560 MJPNHXSOWXTXQU-UHFFFAOYSA-N 409.332 4.703 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 224578707 NXGOOCZFVMIYLL-XMMPIXPASA-N 408.586 4.816 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)c1 224730901 XRMFWFHITIUFTM-LJQANCHMSA-N 410.533 4.543 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 225015627 KPISSBCHDZMNSS-UXHICEINSA-N 412.599 4.809 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 225137447 WRYUPZDJIVBDHU-MSOLQXFVSA-N 400.950 4.605 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 225156930 BDJUBYDYHVBOPM-MOPGFXCFSA-N 414.977 4.831 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 225225338 WIXXMNLDZQMWBM-HXUWFJFHSA-N 418.990 4.766 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1 225459027 JHJDGFXUPSGJIL-KNQAVFIVSA-N 412.599 4.642 0 40 HJAB CO[C@@]1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCC[C@@H](C)C1 225636785 AQBCKUTUANEWKK-YKSBVNFPSA-N 402.579 4.865 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 225716985 PCQPSFGHXDNCDP-NRFANRHFSA-N 400.950 4.605 0 40 HJAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccccn2)[C@H]2C=C[C@H]1C2=C(c1ccccc1)c1ccccc1 226120978 AJALKHZZBSHUSA-WNLYKICVSA-N 422.484 4.655 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(Cc4cccc(C(=O)O)c4)CC[C@@H]3O[C@H]21 257339091 ZADYWMJYBIKXFO-LKFPXLSTSA-N 421.537 4.833 0 40 HJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)O)cc3)o2)S1 260772098 MJPHRICYADKSML-SMHULIPUSA-N 405.479 4.629 0 40 HJAB COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(Cc4ccoc4)C3)nn2c1 306134299 NIJKOVCAXMHYHE-GOSISDBHSA-N 406.461 4.517 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)cc2)cc1 408695189 MRXAXOTWCBYJPG-GOSISDBHSA-N 424.522 4.510 0 40 HJAB O=C1N/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1Cc1ccc(F)cc1 409010747 DLVDYOPWRLGTKZ-LPYMAVHISA-N 420.415 4.637 0 40 HJAB Cn1cc([C@H]2CN(C(=O)CCc3c(Cl)cccc3Cl)Cc3ccccc32)cn1 575618054 DHVBFWGZMWDZQG-LJQANCHMSA-N 414.336 4.834 0 40 HJAB C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OCC(=O)O)cc1 685944886 GSTQYTCTNOSAQG-MRXNPFEDSA-N 417.461 4.750 0 40 HJAB Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)NCc1ccc2ncccc2c1 1634781565 TWHOFLSFHOZTAI-UHFFFAOYSA-N 410.399 4.882 0 40 HJAB CCOc1ccc2[nH]c(=O)c(CN(C(=S)NCC(C)C)C3CCCCC3)cc2c1 879372 DKJJOMGSKGPYLA-UHFFFAOYSA-N 415.603 4.592 0 40 HJAB CCC(=O)Oc1cc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)ccc1OC 975549 WWIWBNUYWMEFDB-UYRXBGFRSA-N 401.418 4.508 0 40 HJAB C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H]1Nc2ccccc2C(=O)N1c1ccc(F)cc1 1106047 ALLBFZSPIIVWLU-NPMXOYFQSA-N 404.441 4.832 0 40 HJAB CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)c1ccc(OC)cc1 1223640 VILUVQWZVIVHHB-UHFFFAOYSA-N 424.453 4.590 0 40 HJAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)NC3CCCCC3)cc2c1 1353138 FTDWJBIZKIYUKU-UHFFFAOYSA-N 403.526 4.881 0 40 HJAB CCOC(=O)c1c(C)csc1NC(=O)CSCc1c(F)cccc1Cl 1590778 GQKYYCMLWZJKAW-UHFFFAOYSA-N 401.912 4.898 0 40 HJAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccccc2F)C4)cc1 2118948 MMHAAKMWMYMFLO-UHFFFAOYSA-N 403.409 4.964 0 40 HJAB biogenic Nc1c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc2n1-c1ccccc1 2295708 RZJQOPTWIZMKHR-UHFFFAOYSA-N 411.509 4.776 0 40 HJAB CC1CCN(C(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 2799207 SOSVDMBOBSAPAU-AWEZNQCLSA-N 409.477 4.902 0 40 HJAB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NC1CCCCCC1 3309530 NRZJBSUXAWWSFD-UHFFFAOYSA-N 413.901 4.567 0 40 HJAB Cc1sc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c(C(N)=O)c1C 3354689 YWLBZODDKVJPQK-UHFFFAOYSA-N 401.315 4.568 0 40 HJAB O=C(Cc1cccc2ccccc12)NCC(=O)Nc1ccc(OCc2ccccc2)cc1 3452869 AVTGCUVLVRIDNF-UHFFFAOYSA-N 424.500 4.716 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1 4122485 CCYMSKKHWOXYCF-UHFFFAOYSA-N 402.479 4.633 0 40 HJAB C[C@H]1CC[C@@H](C)N(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)C1 4164899 SJUIOMIHNPPKAB-MMNPAVHPSA-N 406.452 4.804 0 40 HJAB C[C@@H](c1nnc(SCCCOc2ccc(F)cc2)n1-c1ccc(F)cc1)N(C)C 4490700 MNSZKDSRAXEVQQ-HNNXBMFYSA-N 418.513 4.729 0 40 HJAB O=C(NC1CCCCC1)[C@H](c1ccccc1)N(C(=O)c1ccccn1)c1ccccc1 4848533 QENAJNYLXYRIRZ-DEOSSOPVSA-N 413.521 4.919 0 40 HJAB c1ccc(CC2CCN([C@@H](c3ccccn3)c3nnnn3C3CCCCC3)CC2)cc1 4925560 VUORYOXHMJNATO-DEOSSOPVSA-N 416.573 4.617 0 40 HJAB COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3cccc(SC)c3)nc12 5242691 DTDSMKRRZBOADX-UHFFFAOYSA-N 415.584 4.544 0 40 HJAB O=C(O)CSCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 5899249 GOTAKHNDELATSL-BYUXIZHISA-N 420.534 4.627 0 40 HJAB CN(C(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1)C1CCCCC1 6145069 HKGNHEHTCMHXOY-UHFFFAOYSA-N 415.917 4.867 0 40 HJAB CC(C)c1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@H]2CCCO2)cc1 6752774 HUAVZAOLFRNFND-KOSHJBKYSA-N 417.509 4.630 0 40 HJAB CCCOc1c(Br)cc(C(=O)N[C@H]2CCOc3ccccc32)cc1OC 7215967 NWEAJHREQHUTQN-INIZCTEOSA-N 420.303 4.500 0 40 HJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N[C@H](C)c1ccc(F)cc1 7763704 CZPUARBYHCSNNY-OLZOCXBDSA-N 416.547 4.839 0 40 HJAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1cccc(Oc2ccccc2)c1)CC3 8150683 JQKCFQPFPJFPKI-GHRIWEEISA-N 410.429 4.831 0 40 HJAB Cc1cccc(N(CCCC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)c1 8497696 NZEQHELZEIGBON-UHFFFAOYSA-N 402.560 4.612 0 40 HJAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)ccc21 8768735 KKXAEKVENAPGRY-UHFFFAOYSA-N 414.571 4.719 0 40 HJAB O=C(Nc1ccccc1N1CCCC1=O)c1cn(-c2ccccc2)nc1-c1ccccc1 9376175 AHHKKQOWXAUMEK-UHFFFAOYSA-N 422.488 4.918 0 40 HJAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1cnc(Cl)c(Cl)c1 9544877 DQTZKXDVOJJRTK-UHFFFAOYSA-N 414.705 4.574 0 40 HJAB Cc1cc2nnc(S[C@H](C)C(=O)Nc3ccc(F)c(F)c3F)n2c2ccccc12 9639219 VUNIPPGCFWJGDB-LLVKDONJSA-N 416.428 4.728 0 40 HJAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)Cc1cccc(Cl)c1 10136016 VCPBGBKRBNJJCG-UHFFFAOYSA-N 406.917 4.744 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c(C)c1 10336294 FCKVXVDBAPDAQE-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11072906 DAVLWRDFILZUFS-UUOWRZLLSA-N 415.537 4.628 0 40 HJAB COc1ccc(-c2nc(NC(=O)C[C@@H](NC(C)=O)c3ccc(C)cc3)sc2C)cc1 12263940 JGWGZJYBNCKOPD-HXUWFJFHSA-N 423.538 4.642 0 40 HJAB Cc1nnc(SCC(=O)Nc2ccc3c4c(cccc24)CC3)n1-c1ccccc1 12638844 GXRYQFWKWDFUOJ-UHFFFAOYSA-N 400.507 4.558 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(C)ccc3C)C2)c2ccccc12 12746497 ONAMMHZDGYMWJT-LJQANCHMSA-N 416.521 4.956 0 40 HJAB C[C@H]1CCc2c(sc3nc(COC(=O)C4(c5ccccc5)CCCC4)[nH]c(=O)c23)C1 12771714 MOVVODOOBHIMRP-HNNXBMFYSA-N 422.550 4.665 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2CC)cc1 13842243 UAWAHHBTMONFOW-UHFFFAOYSA-N 424.570 4.787 0 40 HJAB O=C(COc1ccc(Br)cc1Cl)Nc1cccc(Br)c1 14553015 PIFWMRJYLRCPMG-UHFFFAOYSA-N 419.500 4.883 0 40 HJAB CC[C@@H](C)n1c(SCc2cc(=O)oc3c(C)c(O)ccc23)nc2ccccc2c1=O 16046352 NOVMCIATHNLCRS-CYBMUJFWSA-N 422.506 4.780 0 40 HJAB Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 16739985 YEDNFVDKRQDLBL-ZDUSSCGKSA-N 402.560 4.742 0 40 HJAB Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(C)cc5)oc4C)ccn3n2)cc1 17051449 RGSIDMJITBJCRL-UHFFFAOYSA-N 410.477 4.792 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cccs3)c2)cc1 17088310 PLAYJLLYZOVJRU-UHFFFAOYSA-N 409.536 4.690 0 40 HJAB COc1ccc(-c2cc3c(SCC(=O)Nc4cc(F)ccc4C)nccn3n2)cc1 17121252 WGZAENMTVCQUPP-UHFFFAOYSA-N 422.485 4.583 0 40 HJAB COc1ccc([C@H]2CC(=O)c3cc4c(C)nn(-c5ccccc5)c4nc3C2)cc1OC 18197800 FCTFCKQCAFQJKE-QGZVFWFLSA-N 413.477 4.659 0 40 HJAB Cc1cccc(CC(=O)NCc2ccc(-c3nc(C)ncc3-c3cc(C)no3)cc2)c1 19234877 QMENXXBQRAOIOC-UHFFFAOYSA-N 412.493 4.583 0 40 HJAB CCOc1ccc(COC)cc1CN1CCC[C@H]1c1cc(-c2cncnc2)cc(C)n1 19690824 MBNNBSWUIDWZDR-DEOSSOPVSA-N 418.541 4.729 0 40 HJAB CC(C)NC(=O)c1cc([C@H]2CCN(Cc3ccc4ncccc4c3)C2)nc2ccccc12 19761426 HZNJVMBPABKCEV-NRFANRHFSA-N 424.548 4.911 0 40 HJAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C(=O)OC(C)C)cc1 20528682 QMMSBCFQTPOVIJ-IZZDOVSWSA-N 418.287 4.675 0 40 HJAB CCN(C(=O)COC(=O)CCc1ccc2ccccc2n1)c1cccc2ccccc12 21431879 YILNDEVLIXDLTD-UHFFFAOYSA-N 412.489 4.917 0 40 HJAB COc1ccccc1CNC(=O)c1cccnc1Nc1ccc(Br)cc1 22073040 XLPHNLUIZRYIMZ-UHFFFAOYSA-N 412.287 4.526 0 40 HJAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 23030141 RXXCNHGNPLFONF-IAVIKHRSSA-N 409.574 4.652 0 40 HJAB C[C@H](NC(=O)C1CCCCC1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 23181131 NWQBJFCBIOHNOZ-WMZHIEFXSA-N 411.615 4.696 0 40 HJAB O=C(Nc1cccc(F)c1)Nc1ccccc1SCc1cc(=O)n2ccccc2n1 33026572 RADZMWDPWUZIBW-UHFFFAOYSA-N 420.469 4.770 0 40 HJAB Cc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccn2)n1 33301573 VLWXVKFOIMGEPD-UHFFFAOYSA-N 405.310 4.885 0 40 HJAB COc1cccc(-c2csc(-c3cc(NC(=O)c4cccc(C)c4)n(C)n3)n2)c1 35683049 UDQRTGJAYCRVKY-UHFFFAOYSA-N 404.495 4.780 0 40 HJAB CCCn1ncc2c(C(=O)Nc3ccc(-n4cc(Cl)cn4)cc3)cc(C3CC3)nc21 36617032 ICEMLOYKAHQMII-UHFFFAOYSA-N 420.904 4.810 0 40 HJAB CCc1cc2oc(=O)cc(CSc3nc4sccc4c(=O)n3C)c2cc1Cl 36812574 OJLYRJGSFKLRAP-UHFFFAOYSA-N 418.927 4.610 0 40 HJAB COC(=O)CC[C@H](C)[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[C@@]21C 38262336 BWDRDVHYVJQWBO-WCFRSXCYSA-N 406.607 4.566 0 40 HJAB biogenic O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(Cn2ccnc2)cc1 38852006 ZBQLJBJXGAOFOZ-UHFFFAOYSA-N 420.365 4.901 0 40 HJAB Cc1occc1-c1nnc(SCCC(=O)Nc2ccc(Br)cc2)o1 40127362 VIXIITXDFYCDLA-UHFFFAOYSA-N 408.277 4.521 0 40 HJAB Cc1nn2c(nnc3c(=O)n(C4CCCCCC4)ccc32)c1-c1ccc(Cl)cc1 40395994 LVAXJTRHGMYMQC-UHFFFAOYSA-N 407.905 4.963 0 40 HJAB Cc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](c2ccccc2)CC3=O)cc1Cl 64959077 RXBKFBNSBCTNMF-HNNXBMFYSA-N 406.869 4.502 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc(Br)cc2F)ccc1Br 64984903 LZKUYMXAIYOQTR-UHFFFAOYSA-N 417.072 4.677 0 40 HJAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CCCN(C(=O)CC3CCCC3)C2)n1 72374925 GJQUVBPBQYMWNB-HXUWFJFHSA-N 407.562 4.827 0 40 HJAB CCN(CC)[C@@H](C(=O)N1CCc2nc(-c3ccc(F)cc3)sc2C1)c1ccccc1 72391993 ZUSSGRKQBBZRFS-JOCHJYFZSA-N 423.557 4.917 0 40 HJAB CN(Cc1ccc2c(c1)OCO2)C(=O)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 103107357 XHEDQBJBXAJRHV-XCGOXOSTSA-N 403.522 4.912 0 40 HJAB CC(C)N(Cc1ccc(C(=O)O)o1)C(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 222552924 YPQQTMUAZBLSCO-UHFFFAOYSA-N 403.866 4.613 0 40 HJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(N(C)C)cc1 222930245 ATAVJQFNWSSTSC-XZOQPEGZSA-N 419.598 4.567 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 224170537 JQGZXTLCMSYDRV-QFIPXVFZSA-N 412.599 4.562 0 40 HJAB COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1CSc1ccccc1 224329109 GUIORNVWIQSWHM-UHFFFAOYSA-N 418.562 4.950 0 40 HJAB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(C(C)C)cc1 224362988 PVBZDXPPMKWQRS-GOTSBHOMSA-N 420.582 4.830 0 40 HJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1COc1ccccc1 224364769 IWAOZBRCOZILMW-UHFFFAOYSA-N 405.450 4.703 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cccc3ccccc23)cc1 225063669 AEXCMZDLLARQMR-KQWNVCNZSA-N 412.445 4.851 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 225199962 XWVPTSYYNBPTRY-ZWKOTPCHSA-N 400.950 4.523 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225447370 OHDBWCSSGVQSQS-RTWAWAEBSA-N 424.585 4.563 0 40 HJAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCc2cc(-c3ccncc3)ccc21 225640306 PXKLURDIVFWPPL-UHFFFAOYSA-N 405.306 4.807 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)cc1 225690456 QFXSQITZKKBCOF-IBGZPJMESA-N 412.549 4.510 0 40 HJAB CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 225841737 XGIUVNXUUJYPKE-UHFFFAOYSA-N 402.343 4.605 0 40 HJAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(O)c5ccccc45)OCC[C@@]31C2 257238813 HMQLLTCIWTWDHS-ZWJINPBRSA-N 423.553 4.581 0 40 HJAB Cc1ccc(Oc2ccccc2C(=O)N(CCc2ccccc2C)CC(=O)O)cc1 257262521 LLTBCWNVMMTZNF-UHFFFAOYSA-N 403.478 4.865 0 40 HJAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 408544257 CGKNNKCGFRGKIV-UHFFFAOYSA-N 416.886 4.756 0 40 HJAB CCOC(=O)c1c(NC(=O)CSCc2ccccc2Cl)sc2c1CCC2 408578435 UNNSKMOVSSNMLO-UHFFFAOYSA-N 409.960 4.939 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c1 408738953 XIBKPBYVWINKOV-NQIIRXRSSA-N 412.530 4.741 0 40 HJAB CN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)C1=O 408820673 ZFJHEJZBANLRKR-SXGWCWSVSA-N 422.275 4.833 0 40 HJAB CCOc1cccc2c1OCC(C(=O)Nc1ccc(Cc3nc(C(C)C)no3)cc1)=C2 1539724226 DHAPEWVVWQBYGT-UHFFFAOYSA-N 419.481 4.597 0 40 HJAB CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)cc1 888046 VQHWJSRPHADUOJ-UHFFFAOYSA-N 422.506 4.559 0 40 HJAB O=C(CN1CCCC1)Nc1c2c(nc3ccccc13)N(c1cccc(Cl)c1)CC2 1030753 GWNHJWYKMXPHRE-UHFFFAOYSA-N 406.917 4.617 0 40 HJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]32CCOC(C)(C)C2)c(OC)c1 1322416 VRFITYPURADBAC-HYBUGGRVSA-N 408.498 4.533 0 40 HJAB biogenic Cc1cccc2cc(CN(Cc3ccco3)C(=O)Nc3ccccc3F)c(=O)[nH]c12 1378192 JJEWQNRWBHIDSW-UHFFFAOYSA-N 405.429 4.803 0 40 HJAB O=C(CCC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1 2079624 XLZQLJJUVMYLFA-UHFFFAOYSA-N 414.672 4.792 0 40 HJAB CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CC)NC(=O)OC(C)(C)C)c12 2146879 KQSZLKPDJVVDGL-INIZCTEOSA-N 417.502 4.653 0 40 HJAB biogenic CCCCCNC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 2360381 PZZAMUJXNUHOOM-UHFFFAOYSA-N 401.514 4.693 0 40 HJAB O=C(Oc1ccccc1)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc12 3015952 XUMTZBWAPPFJNQ-UHFFFAOYSA-N 410.351 4.624 0 40 HJAB CCN(CC)c1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 3320616 CDPUTTNYORKNDG-UHFFFAOYSA-N 411.527 4.926 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2CC)cc1 4138564 AUMAERUBMYOFAC-UHFFFAOYSA-N 421.526 4.576 0 40 HJAB O=C(NC1CCCCC1)C(=Cc1ccccc1OC(F)F)C(=O)NC1CCCCC1 4964471 VZXGATWNROMBQB-UHFFFAOYSA-N 420.500 4.569 0 40 HJAB CCCNC(=O)c1c(N)n(-c2ccc([C@H](C)CC)cc2)c2nc3ccccc3nc12 5021717 CXXATDQOOFXOLF-OAHLLOKOSA-N 401.514 4.809 0 40 HJAB Cc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)nc12 5182734 XPGOCZHOWOOEPS-UHFFFAOYSA-N 412.367 4.935 0 40 HJAB COc1cccc(C(=O)Nc2c(-c3ccccc3F)c(=O)c3ccccc3n2C)c1 5346609 ZNYZDCLUYVYTMK-UHFFFAOYSA-N 402.425 4.606 0 40 HJAB C/C(=C\c1ccccc1)[C@@]1(C(=O)NC2CCCC2)CC(=O)N1c1ccc(C)cc1C 5483218 MOUPTDCVRGSAEH-YNZBZNKJSA-N 402.538 4.941 0 40 HJAB NC(=O)c1sc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)c2c1N 6898492 NHANOXSCBAJTJC-UHFFFAOYSA-N 406.216 4.970 0 40 HJAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)Nc1ccccc1C 6960941 CIRBLVNROUJSFO-UHFFFAOYSA-N 412.555 4.573 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)c(Cl)c1 7388283 NQDQZRJZQFMYRC-UHFFFAOYSA-N 413.949 4.595 0 40 HJAB CCOc1ccc2nc(Cl)c([C@@H]3CC(c4cccc(OC)c4)=NN3C(C)=O)cc2c1 9495135 IDEQDEARKLCLHI-QFIPXVFZSA-N 423.900 4.993 0 40 HJAB Cc1cc(C)cc(N2C(=O)N(Cc3ccc(F)cc3)c3ccccc3S2(=O)=O)c1 10273014 GVIPYFOLEUAOFR-UHFFFAOYSA-N 410.470 4.778 0 40 HJAB CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cccc(F)c1 11120674 XSMOBLKGGUUXFJ-UHFFFAOYSA-N 424.497 4.764 0 40 HJAB COc1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)cc1 12618358 SFLYRAWBSZYURT-UHFFFAOYSA-N 419.506 4.774 0 40 HJAB Cc1nn2c(C)c(C(=O)Nc3ccccc3Cl)nnc2c1-c1ccc(Cl)cc1 12652962 XXUFAASFOWIISN-UHFFFAOYSA-N 412.280 4.967 0 40 HJAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N3CCc4ccccc4C3)s2)c(C)c1 12737664 HPQBHVCKAUVKAH-MRXNPFEDSA-N 424.595 4.964 0 40 HJAB Cc1ccc(OC(F)F)c(C(=O)CSc2nnc(-c3sc(C)nc3C)o2)c1 12777808 DVOQMWGJBGISOG-UHFFFAOYSA-N 411.455 4.695 0 40 HJAB Brc1ccc(-n2nnnc2COc2ccc(-c3ccccc3)cc2)cc1 13629778 PUIJKSDZRVUIFQ-UHFFFAOYSA-N 407.271 4.671 0 40 HJAB CCC(=O)N(c1nnc(SCc2ccc(F)cc2Br)s1)C1CC1 14801014 CHTANLYXIVIOHY-UHFFFAOYSA-N 416.341 4.637 0 40 HJAB C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H](C(F)(F)F)C1 16591228 UTSWMUVKQRJNRT-FUHWJXTLSA-N 406.448 4.867 0 40 HJAB CC(C)n1c(CN2CCC(c3ccc(-c4cnn(C)c4)cn3)CC2)nc2ccccc21 19689122 XPMQWGQIPLGHTO-UHFFFAOYSA-N 414.557 4.792 0 40 HJAB CC(C)c1cc(C[C@@]2(C(=O)NCC3(c4ccccc4F)CCCC3)CCCO2)on1 19740054 WTUCLRLVSXTMJO-XMMPIXPASA-N 414.521 4.657 0 40 HJAB O=C(NC1CCCCCCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 20479588 WDHUPQJLNTUTFF-RHSMWYFYSA-N 410.440 4.979 0 40 HJAB CCc1n[nH]c(=S)n1NCc1cc(Br)ccc1OCc1ccccc1 22110406 NMODGIKIFCZTTE-UHFFFAOYSA-N 419.348 4.588 0 40 HJAB COc1ccc(/C=C/C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)c(OC)c1 28218497 YPYPJNOXDKZWOA-WYMLVPIESA-N 421.497 4.594 0 40 HJAB CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)cc1 28527184 PZDQWARYMOZFDZ-UHFFFAOYSA-N 405.502 4.642 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 30860069 SYKUFCKGPWKIIL-SFHVURJKSA-N 408.523 4.595 0 40 HJAB Brc1cccc(-c2noc(CSc3nccn3-c3ccccc3)n2)c1 33278082 QRNKNWLWKACJHR-UHFFFAOYSA-N 413.300 4.977 0 40 HJAB CCOc1ccccc1NC1=NC(=O)/C(=C\c2ccc(Br)cc2)S1 35647554 AJDTTZNTVJSIKC-LFIBNONCSA-N 403.301 4.930 0 40 HJAB CC(=O)Nc1sc(NC(=O)COc2ccc(Cl)cc2)nc1-c1ccc(C)cc1 35671516 AYRITMRUUQEDIW-UHFFFAOYSA-N 415.902 4.748 0 40 HJAB COc1cccc(SCC(=O)Nc2nnc(SCc3ccccc3)s2)c1 40140430 XEJYUEUMGSMWGO-UHFFFAOYSA-N 403.554 4.570 0 40 HJAB CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 49549395 RFEHVYRMBICXCB-LBPRGKRZSA-N 413.861 4.724 0 40 HJAB C=CC(=O)NCc1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)c(C)c2)cc1 63624096 YQWZRVKUAGFNFJ-UHFFFAOYSA-N 418.468 4.659 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N3CCCCC3)nc2C)cc1 72219318 HMYSEZGPDUBMSD-JOCHJYFZSA-N 413.587 4.605 0 40 HJAB CC1CCN(c2nc(O)c3c(n2)CN(Cc2cn(C(C)C)c4ccccc24)CC3)CC1 72335643 XKHVBVNIFNXHSC-UHFFFAOYSA-N 419.573 4.512 0 40 HJAB Cc1nc(CC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(-c2ccccc2)s1 72346739 HANBDFAZTUBZNG-FQEVSTJZSA-N 402.523 4.901 0 40 HJAB O=C(c1sc2ccccc2c1[C@@H]1CCN(Cc2ccccc2F)C1)N1CCOCC1 72352381 XAAFMYZRMWCMSX-GOSISDBHSA-N 424.541 4.502 0 40 HJAB O=C(CN1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1)Nc1nccs1 72357703 YHYQQHVNBDDAJF-IBGZPJMESA-N 412.946 4.558 0 40 HJAB Cc1cc(C)n(C[C@@H](C)CN[C@@H](c2ccncc2)c2cccc(C(F)(F)F)c2)n1 95466853 OAYKXZQWQALMKF-BTYIYWSLSA-N 402.464 4.929 0 40 HJAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@H]1[C@@H]2CC[C@H](C2=C(C)C)[C@@H]1C(=O)O 101391810 KMGHPDNJIREZLH-OSLDLMBLSA-N 419.543 4.680 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c(C)c1 211971215 VGGMCWIPMFVIBZ-LICLKQGHSA-N 400.887 4.632 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC 223683389 UPDIJOKPSFIWFG-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1Br 223978928 IBELLBJDIHILGF-UHFFFAOYSA-N 418.312 4.510 0 40 HJAB Cc1cccc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 224380523 JEPGDKDXRBKGLM-UHFFFAOYSA-N 407.535 4.975 0 40 HJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224618278 XFPRDVAYECOUGA-DEOSSOPVSA-N 422.613 4.903 0 40 HJAB Cc1cc(Cl)ccc1N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O 224767437 BBBZTONXMHXXBA-UHFFFAOYSA-N 417.015 4.526 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 224773625 KYNVRJFDLJKWCP-OAQYLSRUSA-N 418.940 4.601 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 225573072 VSZKAEDOIXESEZ-ZJSXRUAMSA-N 408.586 4.958 0 40 HJAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(Br)cc1F 225582553 XNMQYJOPXGUFGE-AWEZNQCLSA-N 402.377 4.529 0 40 HJAB NC(=O)CCc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 226342279 OCSJZLONOBCTFR-UHFFFAOYSA-N 403.103 4.753 0 40 HJAB Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O 408647720 XHRUMRKNUXXBJV-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 409166649 DMPDJLUHVKPTRX-LZYBPNLTSA-N 421.305 4.977 0 40 HJAB CC[C@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccc(NC(C)=O)cc3)ccc21 585105869 VRUDQTMSSYUQOT-KRWDZBQOSA-N 406.526 4.753 0 40 HJAB CCCc1ncc(CN2CCC(Cc3cccc(Nc4ncc(C)s4)n3)CC2)cn1 585263485 MPOVKNZXMOPWRV-UHFFFAOYSA-N 422.602 4.787 0 40 HJAB COc1ccc([C@H](NC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)C(C)C)cc1OC 604419502 GZMDRBGQSILGDJ-SIKLNZKXSA-N 422.529 4.824 0 40 HJAB COc1ccc(OCc2nc(CNc3ccc4c(c3)CCCC(=O)N4)cs2)cc1 676323480 SWRIFYKPRHINJT-UHFFFAOYSA-N 409.511 4.618 0 40 HJAB COc1cc(OC)cc(-c2nnc(SCC(=O)c3c(C)c(C)cc(C)c3C)o2)c1 929503 LQDQWLJCIXEEFG-UHFFFAOYSA-N 412.511 4.962 0 40 HJAB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21 990068 SHZLNJARJHFSMP-XMMPIXPASA-N 405.881 4.656 0 40 HJAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)Nc1ccc(C)cc1C 1353638 JWULPGITJODPNQ-UHFFFAOYSA-N 419.456 4.613 0 40 HJAB Cc1ccc(C)c(-n2nnnc2SCC(=O)c2ccc3c(c2)-c2ccccc2C3)c1 3286995 OSYDFZMGEORFLO-UHFFFAOYSA-N 412.518 4.825 0 40 HJAB O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)Nc1ccc2c(c1)CCC2 3432099 WSEFQMSMIRRNBP-UHFFFAOYSA-N 417.437 4.558 0 40 HJAB O=C1CS[C@@H](c2ccc(F)cc2)N1c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4181605 BXVSXODMCLQYGT-GZDOSPBESA-N 415.559 4.924 0 40 HJAB aggregator Cc1ccc(C)c(N2C(=O)N(Cc3ccc(F)cc3)c3ccccc3S2(=O)=O)c1 4484316 ANEIKAWHZJEOIZ-UHFFFAOYSA-N 410.470 4.778 0 40 HJAB CC[C@@H](C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 4837403 MAUPZZZEAKRODF-FXPVBKGRSA-N 406.861 4.787 0 40 HJAB Cc1cccc(N2CCN(c3ncnc4c(-c5ccccc5)nsc34)CC2)c1C 4857981 WZNMZNQVKBXSPD-UHFFFAOYSA-N 401.539 4.697 0 40 HJAB CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3cccc(C)c3)c2=O)cc1 4882479 BXHRGONXSHMHLY-UHFFFAOYSA-N 420.534 4.586 0 40 HJAB Cc1cc(C)cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 5609931 KBWFPWPGMGXKDO-CYBMUJFWSA-N 416.449 4.889 0 40 HJAB C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 6285318 QZMPLNCRGHCGQP-LJQANCHMSA-N 417.509 4.755 0 40 HJAB Clc1ccc(OCc2cccc(-c3nc4c5cn[nH]c5ncn4n3)c2)c(Cl)c1 6448087 RFYOEHGVZBEAMZ-UHFFFAOYSA-N 411.252 4.553 0 40 HJAB CSc1ccc(CN(C)Cc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 6948113 FMFWJLCOHDCACN-UHFFFAOYSA-N 407.564 4.777 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cc(Cl)ccc1OC 7605329 FLXUMAQMWJRBBZ-UHFFFAOYSA-N 416.934 4.666 0 40 HJAB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1 8033479 VRQUSOPFMYIDSH-JOCHJYFZSA-N 408.523 4.677 0 40 HJAB CC1=C(C(=O)Nc2cc(C)ccc2C)[C@@H](c2cccc3ccccc23)NC(=S)N1 8969767 ZKQKNNNIABOYIB-JOCHJYFZSA-N 401.535 4.888 0 40 HJAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 9038284 CNBVJJVXFWUIQD-UHFFFAOYSA-N 420.896 4.556 0 40 HJAB CCCCn1nc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c2ccccc2c1=O 9583744 SLYUWMHENSFMOY-UHFFFAOYSA-N 421.831 4.704 0 40 HJAB COc1ccc(OC)c2sc(N(Cc3ccncc3)C(=O)C3CCCCC3)nc12 10254342 PXLHAUYTGPMQIM-UHFFFAOYSA-N 411.527 4.822 0 40 HJAB Cc1nc(-c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)s2)cs1 11566419 VGHCXFBXTLFVEH-UHFFFAOYSA-N 418.609 4.823 0 40 HJAB C[C@H]1CCCN(C(=O)CSc2nnc(Cc3cccs3)n2C2CCCCC2)C1 12793416 JTBDZVIJRVSPQM-INIZCTEOSA-N 418.632 4.786 0 40 HJAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N(C)c1nc2ccccc2s1 12819706 SZUBBMZFIXNLOF-UHFFFAOYSA-N 407.543 4.834 0 40 HJAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)c2ccccc2F)n(C(C)C)c1C 13689678 ZWIGIJFGNUFGGC-UHFFFAOYSA-N 414.502 4.910 0 40 HJAB C[C@H](NC(=O)c1oc2ccccc2c1CSc1ncn[nH]1)c1ccc(F)cc1F 14232248 PUWYYDYUNRRFQQ-NSHDSACASA-N 414.437 4.612 0 40 HJAB COC(=O)c1cccc(Nc2c(-c3ccc(O)c(OC)c3)nc3ccc(C)cn23)c1 15414416 VHSVASVWJQFINP-UHFFFAOYSA-N 403.438 4.554 0 40 HJAB CCCn1nc(C(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)c2ccccc2c1=O 16176150 YJKRULPQSKHVGJ-QFIPXVFZSA-N 419.525 4.573 0 40 HJAB COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3F)no2)cc1 19554798 PNMKLVWNPJSINT-UHFFFAOYSA-N 417.440 4.727 0 40 HJAB COc1ccccc1-c1ccccc1NC(=O)[C@H](c1ccc(F)cc1)N1CCOCC1 19660198 LOHAXBPXCVKCPT-DEOSSOPVSA-N 420.484 4.513 0 40 HJAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2c(C)cccc2C)o1 19929142 CHQBMNJOPCSSRX-UHFFFAOYSA-N 403.891 4.746 0 40 HJAB Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2cccc(C)c2)C4)c1 20795945 NHLJAJIKANWTJX-LJQANCHMSA-N 414.534 4.946 0 40 HJAB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1cccc(C)c1 20802763 XBUSCVSGKCGURT-FGZHOGPDSA-N 419.525 4.506 0 40 HJAB Cc1c(C)n(CCCN(C)C)c2ncn3nc(-c4ccc(C(C)(C)C)cc4)nc3c12 21801510 RNYREARPGBZWEZ-UHFFFAOYSA-N 404.562 4.612 0 40 HJAB C[C@H](NC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 22877297 CHKYCDMMTAVLLR-ZDUSSCGKSA-N 406.313 4.681 0 40 HJAB Cc1csc(NC(=O)Cc2csc(Nc3ccc(OC(F)(F)F)cc3)n2)n1 23136600 YLZRVGPUTKCRKM-UHFFFAOYSA-N 414.434 4.731 0 40 HJAB Cc1ccc(-c2cnc(CCC(=O)NC[C@H](c3ccccc3)N3CCCC3)o2)cc1C 23742267 FLWSAJZMUTXHNN-HSZRJFAPSA-N 417.553 4.844 0 40 HJAB C[C@@H](N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1nc2ccccc2c(=O)[nH]1 23908314 BKTBVAMVIJFEDD-VFNWGFHPSA-N 421.447 4.965 0 40 HJAB O=C(c1cccnc1OCC(F)(F)F)N1CCC[C@@H](c2nc3ccccc3s2)C1 24552501 POSNDOFXSDRPLD-CYBMUJFWSA-N 421.444 4.652 0 40 HJAB Cc1nc(S[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)n(C2CCCCC2)c1C 24932862 XJPZHHPFLKLTLA-OAHLLOKOSA-N 413.543 4.700 0 40 HJAB Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCCCC2)cc1 27581691 FAUCDLMJJUDHNN-JOCHJYFZSA-N 400.950 4.679 0 40 HJAB C[C@H](Oc1ccccc1Br)C(=O)NCc1cccc(C(F)(F)F)c1 27974902 VXMATURAHBSLCT-NSHDSACASA-N 402.210 4.552 0 40 HJAB O=C(COc1ccc(Cl)cc1)N(Cc1ccc(Br)o1)c1ccccn1 28286859 GRPOQSDNUAQFJC-UHFFFAOYSA-N 421.678 4.703 0 40 HJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C 31903365 AZAJMAQIPAGVMW-JOCHJYFZSA-N 418.541 4.551 0 40 HJAB CCCCOc1ccccc1[C@@H]1CC(O)=Nc2c1c(C)nn2-c1ccc(Cl)nn1 32103149 ZRVRGPILORRYAB-HNNXBMFYSA-N 411.893 4.927 0 40 HJAB O=C(CCC(=O)c1ccc(Cl)s1)Nc1nc(CN2CCCCCC2)cs1 40050506 VMWRPMRZQFACOD-UHFFFAOYSA-N 411.980 4.836 0 40 HJAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 40080429 JWCYTQLEVPDTOW-INIZCTEOSA-N 424.566 4.674 0 40 HJAB CCc1ccc(Cl)c(CC)c1NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 40129169 UNFLRDWNQNTRPV-AWEZNQCLSA-N 407.345 4.763 0 40 HJAB O=S(=O)(Cc1cc(Cl)cc2c1OCOC2)Cc1c(Cl)cccc1Cl 45296602 WZDHNXHXAXNFCX-UHFFFAOYSA-N 407.702 4.628 0 40 HJAB COc1cc(NC(=O)N2CCC[C@@H]2c2ccsc2)ccc1NC(=O)c1cccnc1 48278523 UOEQWEFYZNIQIP-LJQANCHMSA-N 422.510 4.773 0 40 HJAB O=C(CCC(=O)c1cccs1)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 48326243 JTQGXWBDDKTUTC-UHFFFAOYSA-N 401.557 4.669 0 40 HJAB Cc1cc(C)nc(Nc2nc(C(=O)Nc3ccc(Br)cc3C)cs2)n1 56924608 IMINFKDSSDEVAF-UHFFFAOYSA-N 418.320 4.617 0 40 HJAB O=C1CCCN1c1ccc(OCc2coc(-c3ccc(Br)cc3)n2)cc1 58401944 KFCNFLAHIZHVSV-UHFFFAOYSA-N 413.271 4.810 0 40 HJAB Cc1ccc(-c2cc3c(SCC(=O)N(C)c4ccccc4)nccn3n2)cc1C 67289832 LPTDBPJWEKSNCY-UHFFFAOYSA-N 402.523 4.768 0 40 HJAB CCN(CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[C@H](C)c1cccc(O)c1 72308230 BHAJQDWBFLDTGI-MRXNPFEDSA-N 423.538 4.728 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349604 SITXYUVXVZAXAJ-HXUWFJFHSA-N 406.476 4.899 0 40 HJAB O=C(O)/C=C\C(=O)Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccccc1 96839127 LNHUTUHRSLRYEC-NXVVXOECSA-N 424.460 4.862 0 40 HJAB COc1ccc([C@]23CCCC(=O)[C@@H]2[C@@H]2C(=O)CCC[C@]23c2ccc(OC)cc2)cc1 100407017 BSDPXGJTKANWJY-POYMRFPPSA-N 404.506 4.632 0 40 HJAB COCCN(Cc1cc(C)n(C)c1C)C(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 222562340 HADIGDBGZOWMLT-UHFFFAOYSA-N 416.953 4.515 0 40 HJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccnc4)c3C)N21 222682070 LAPFCBLMMRWYFI-BULFRSBZSA-N 403.555 4.864 0 40 HJAB Cc1cc(C(=O)NC(C(C)C)C(C)C)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224004839 JGCHTFBGZGQATI-UHFFFAOYSA-N 422.978 4.860 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 224665263 WUCRPYNIBYOYDJ-JOCHJYFZSA-N 414.977 4.771 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 224777639 MMAMVELZJKUIGS-QGZVFWFLSA-N 418.990 4.684 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccccc2F)c1 225413525 RKYXNAIGMMBAEX-UHFFFAOYSA-N 406.548 4.531 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 225552048 JTOKVRHODSNRLA-INIZCTEOSA-N 421.368 4.868 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)c(Cl)c1 408627826 OBZXONMYWOCGLO-UHFFFAOYSA-N 401.688 4.677 0 40 HJAB Cc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(Cl)c2)cc1Cl 408667257 PYSGCMILBRJSRS-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 409159199 ZHQDEENMHSVUPX-MHWRWJLKSA-N 400.887 4.632 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)o1 1775966969 YCGXZDNPOMRUFT-OAHLLOKOSA-N 405.903 4.669 0 40 HJAB CC1(C)C[C@@H]2CN(C(=O)c3cnccc3C(F)(F)F)CC[C@@H]2N1c1ccc(F)cc1 2037988369 ATPFXNGHRNHIMR-KUHUBIRLSA-N 421.438 4.759 0 40 HJAB CC(=O)Nc1cc(-c2ccc(Br)cc2)nn1Cc1ccc(Cl)cc1 677419 XTDLBZLHIOPDKP-UHFFFAOYSA-N 404.695 4.973 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1Br)C(=O)NC1CCCCCC1 1017047 OQNMIUHUKPBFLZ-LLVKDONJSA-N 419.157 4.818 0 40 HJAB O=C1/C(=C/c2cc(Br)ccc2F)SC(=S)N1Cc1ccccc1 1151515 VUHPJHSONOIOKK-DHDCSXOGSA-N 408.317 4.990 0 40 HJAB COc1cccc(NC(=O)[C@H](OC(=O)/C=C/c2ccc(C)cc2)c2ccccc2)c1 3283973 LYIFVHPRNSYUIB-RFAWQRTRSA-N 401.462 4.940 0 40 HJAB COc1cc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)ccc1OC(C)C 4000156 CZEILJCJDRMSLZ-PUHSMXRQSA-N 420.553 4.818 0 40 HJAB biogenic COc1cccc(OCC(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)c1 4267233 UWHXDKDAQQJVAM-UHFFFAOYSA-N 416.433 4.711 0 40 HJAB COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 4816574 FLFQELOVRNPQNR-FGZHOGPDSA-N 404.514 4.709 0 40 HJAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)/C(=N/NC(=O)c3ccncc3)CC[C@H]12 4903679 AUKSBJWTRCVBGS-NWRCRADLSA-N 409.574 4.571 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)CC(C)(C)C)ccc32)cc1 5375182 SYEZEAJKYMIZOF-UHFFFAOYSA-N 400.544 4.511 0 40 HJAB O=C(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 6227380 QRMFLHPRENYMSS-NTEUORMPSA-N 412.898 4.793 0 40 HJAB Cc1ccc(SCCC(=O)OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 6300540 UBZZRTVVSFDABX-QZGUCNERSA-N 415.599 4.742 0 40 HJAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(Cl)c(C(F)(F)F)c1 6384187 KYHUGRPHOCUHJW-UHFFFAOYSA-N 410.779 4.565 0 40 HJAB CCCc1n[nH]c(=S)n1NCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 7601401 DMFREXDTGRJNJW-UHFFFAOYSA-N 418.950 4.878 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 7610182 HXIARXRMKATVRW-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB O=C(N[C@H]1CCOc2ccccc21)c1cc(-c2ccccc2)c(N2CCOCC2)s1 7808497 BRZAXXGSYCPHGV-FQEVSTJZSA-N 420.534 4.505 0 40 HJAB CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 8039396 VWPYSWWERRSBQY-OAHLLOKOSA-N 412.584 4.871 0 40 HJAB Cc1cc(NC(=O)c2cccc(OC(C)C)c2)c(C)cc1I 8333956 CMMNMYODQDYQFC-UHFFFAOYSA-N 409.267 4.948 0 40 HJAB CCC[C@H](NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCC)c1ccccc1 8538830 XRUFJVAFLNFAHH-PXNSSMCTSA-N 423.582 4.945 0 40 HJAB O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2cccc(Br)c2)s1 8951749 ATQVRXZCPUWHBT-UHFFFAOYSA-N 420.307 4.686 0 40 HJAB Cc1ccc2nc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)sc2c1 9714727 ZTJFZOXKMWEURK-UHFFFAOYSA-N 423.519 4.658 0 40 HJAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)c2nn(C)c(=O)c3ccccc23)c1 9832055 DMKPKSARHJFTRR-UHFFFAOYSA-N 419.868 4.940 0 40 HJAB CC(C)(C)c1ccc(-c2nnc3sc(-c4cncc(Br)c4)nn23)cc1 12390316 RSRSRTGWSCMYSC-UHFFFAOYSA-N 414.332 4.975 0 40 HJAB O=C(Nc1ccccc1Br)c1nn(-c2ccc(F)cc2)c2c1CCCC2 12921090 AZJBNMOVPZNDOD-UHFFFAOYSA-N 414.278 4.905 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](C)c1cccc(Br)c1 12983490 RUKHNPKWBOUXDC-VLIAUNLRSA-N 413.315 4.591 0 40 HJAB C[C@H](Oc1ccccc1F)c1nnc(S[C@H](C)C(=O)N(C)C2CCCCC2)o1 12997652 VKOJWUTWUZIXFK-UONOGXRCSA-N 407.511 4.620 0 40 HJAB O=C(COc1cccc2ccccc12)Nc1ccccc1C(=O)NCCc1ccccc1 13684147 UDVCTPGORVYKAF-UHFFFAOYSA-N 424.500 4.830 0 40 HJAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)c2ccccc2)n1 19694427 AOARRQQVESKRHT-NRFANRHFSA-N 404.489 4.716 0 40 HJAB O=C(N1CCc2nc(-c3ccc(F)cc3)sc2C1)C1(c2ccccc2)CCOCC1 19719923 ARSKUHYQLQLDON-UHFFFAOYSA-N 422.525 4.582 0 40 HJAB CCCn1c(NC(=O)c2ccccc2OCc2c(C)noc2C)nc2ccccc21 21126798 NKGVVJKLWVEOMR-UHFFFAOYSA-N 404.470 4.882 0 40 HJAB COc1ccc(-c2csc(NC(=O)COc3ccc(F)c(Cl)c3)n2)c(OC)c1 29257683 BIWRRAXBQMKYHT-UHFFFAOYSA-N 422.865 4.637 0 40 HJAB Cc1nn(CC(=O)Nc2ccccc2SCc2ccccc2)c(=O)c2ccccc12 32905038 WRYSQKOPIIUHPZ-UHFFFAOYSA-N 415.518 4.636 0 40 HJAB Cc1nc(-c2nnn(-c3cccc(Cl)c3)c2C)sc1C(=O)NCc1ccccc1 38487453 NHGMQFPYLZILCZ-UHFFFAOYSA-N 423.929 4.591 0 40 HJAB CC(=O)Nc1nc2ccc(NC(=O)Cc3csc(-c4cccs4)n3)cc2s1 40139032 DKABNCPAPRFVDQ-UHFFFAOYSA-N 414.537 4.621 0 40 HJAB C[C@H]1Cc2ccccc2N1c1nc2ncn(-c3ccc(Cl)cc3)c(=S)c2c(=O)[nH]1 40385770 HRACOPYJBUZVQA-LBPRGKRZSA-N 421.913 4.574 0 40 HJAB CC[C@@H](C(=O)OCc1nc(-c2ccc(Br)cc2)no1)c1ccccc1 44836475 NNRJERAQYXLBQE-MRXNPFEDSA-N 401.260 4.736 0 40 HJAB CN(C(=O)c1ccc(NCC(=O)NCc2cccs2)cc1Cl)C1CCCCC1 55879103 CIBIWAFHMGFRJM-UHFFFAOYSA-N 419.978 4.535 0 40 HJAB CC(=O)c1sc(NC(=O)c2cccnc2N2CCCCC2)nc1-c1ccccc1 58031130 CZJKDJKWHMAPAC-UHFFFAOYSA-N 406.511 4.650 0 40 HJAB Cc1csc(Nc2cccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)c2)n1 58202374 AZZQUWBQTVUMNX-UHFFFAOYSA-N 406.511 4.570 0 40 HJAB CCC[C@H](CC(=O)O)c1c(OC)c(CC=C(C)C)c(O)c2c1O[C@@H](C)[C@H](C)C2=O 72320174 UDVTWMLZUGXNQM-SOUVJXGZSA-N 404.503 4.868 0 40 HJAB biogenic,in-vitro Cc1cccc(-c2ccc(CC3(C(=O)N(C)C)CCN(C(=O)C4CCC4)CC3)cc2)c1 72345229 WIVUWCYAFSOYPU-UHFFFAOYSA-N 418.581 4.702 0 40 HJAB O=C(c1csc(-c2ccc(Cl)s2)n1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 84445403 HENAJMSCFWJEFT-NEPJUHHUSA-N 415.005 4.652 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc(Cl)c4)[C@H]3C2=O)cc1 101056836 WNDKNSZFOUQZQR-FSSWDIPSSA-N 418.880 4.700 0 40 HJAB Cc1ccccc1[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224127086 GIBFRQDNXZGSSA-LJQANCHMSA-N 422.550 4.620 0 40 HJAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 224621361 JDFPCLISZFWCKM-GOTSBHOMSA-N 412.518 4.755 0 40 HJAB CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224648741 XPJOIAJWPJEYAX-UHFFFAOYSA-N 407.841 4.891 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C 225087060 LCIBQTKABFWLNQ-HXUWFJFHSA-N 421.368 4.868 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 225491849 HLLRRKJWBHWPGG-HRAATJIYSA-N 418.940 4.744 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 225556088 FBXHBDNAIYPCDH-URXFXBBRSA-N 408.586 4.876 0 40 HJAB O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1cc(-c2ccccc2)on1 225898397 NXUMEWYDPBSKFE-UHFFFAOYSA-N 406.873 4.775 0 40 HJAB CC(=O)N1CC[C@]2(C[C@@H]1c1ccccc1)CN(CC(C)C)C(=O)N2c1ccccc1 257240457 HTOJJTAKAALNGT-NOZRDPDXSA-N 405.542 4.707 0 40 HJAB CCc1n[nH]c(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)c1C 257247577 IZOHJIRXCKFNJV-MRXNPFEDSA-N 412.921 4.533 0 40 HJAB CCC(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 408576263 WRUAAIXCYWKKFV-FYWRMAATSA-N 419.506 4.822 0 40 HJAB CCOc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(OC)cc2)cc1 408623193 DTEXLHYJQRLCIG-UHFFFAOYSA-N 415.486 4.629 0 40 HJAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)cc2)C1=O 409229304 MYKAYDNJNLLLFR-CRRKTRLDSA-N 413.520 4.744 0 40 HJAB CCOc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl 409248358 QDICMPUIFRPZGU-LICLKQGHSA-N 405.281 4.793 0 40 HJAB O=C(CCCc1ccc2nc(O)[nH]c2c1)Nc1ccccc1COc1ccccc1 518031614 HTBYLHDQCWYALZ-UHFFFAOYSA-N 401.466 4.809 0 40 HJAB O=C(OCc1cnn(Cc2ccccc2)c1)[C@@H]1C[C@H]1c1ccc(Br)cc1 1524703767 OTCGIJDGOWFPIT-VQTJNVASSA-N 411.299 4.541 0 40 HJAB CC1(C)CC[C@H](NC(=O)Cn2cc(C=O)c(-c3ccccc3)n2)[C@@H](c2ccccc2)C1 1558059891 KLTXNQADPZGFGG-PKTZIBPZSA-N 415.537 4.841 0 40 HJAB CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc(-c2ncon2)cc1 1597077318 MBVIIIWUDPMNCZ-HNNXBMFYSA-N 401.388 4.562 0 40 HJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1ccccc1Br 1775977699 KGIUFPSFGYDMOB-QGZVFWFLSA-N 402.313 4.641 0 40 HJAB O=C1N(c2ccoc2)c2ccc(NCc3ccc(F)c(F)c3)cc2C12CCOCC2 2055795744 PGMGJWSYLJJNEV-UHFFFAOYSA-N 410.420 4.896 0 40 HJAB CCn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)OC1CCCCC1 649491 DTKOYZIGGKKMHE-UHFFFAOYSA-N 408.955 4.532 0 40 HJAB Cc1ccc(SCC(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)cc1 692724 QCXIQZOMYYSOAJ-UHFFFAOYSA-N 406.507 4.743 0 40 HJAB Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)c1 779395 IEUNSNZDTDALOC-UHFFFAOYSA-N 407.539 4.941 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(CNc3ccc(C)cc3)n2CC)cc1 907688 OSTRKACPMLDYFC-UHFFFAOYSA-N 409.559 4.512 0 40 HJAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc2c3c(C)c(C)sc3ncn12 925315 AHTXJYAJWOELCT-AWEZNQCLSA-N 411.556 4.692 0 40 HJAB O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)NCCc1ccccc1 1332754 WEHIMBNZCBQBDX-UHFFFAOYSA-N 423.607 4.899 0 40 HJAB O=C(O)CS[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 2557509 UFARTXRKGBIWNB-HNNXBMFYSA-N 403.809 4.856 0 40 HJAB CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)/C=C/c2nc3ccccc3s2)cc1 2617287 WKKTWWZBEFOLQT-VAWYXSNFSA-N 422.506 4.720 0 40 HJAB CC(C)(C)NC(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 3297289 YRNWQJSHMBXXBA-UHFFFAOYSA-N 408.470 4.816 0 40 HJAB C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)N[C@H]1CCCc2ccccc21 3356416 VUNRUCXGKWNVBN-KDOFPFPSSA-N 416.616 4.957 0 40 HJAB C[C@H](OC(=O)c1cccnc1Cl)C(=O)N(Cc1ccccc1)Cc1ccccc1 3397059 RTSMQPITFNOGSG-KRWDZBQOSA-N 408.885 4.509 0 40 HJAB COc1ccccc1-n1c(Sc2ncnc3sccc23)nc2ccccc2c1=O 3398594 IBRMBUDQJVNNBN-UHFFFAOYSA-N 418.503 4.550 0 40 HJAB C[C@@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1ccc2c(c1)OCCO2 3448031 RPFGFVHVQXXJMZ-LLVKDONJSA-N 417.870 4.510 0 40 HJAB CC(=O)c1ccc(C(=O)N(CCCN(C)C)c2nc3c(Cl)cccc3s2)cc1 4359787 RMDFTHNUKQIFKC-UHFFFAOYSA-N 415.946 4.751 0 40 HJAB COc1cccc2cc(C(=O)Nc3cc(CC(F)(F)F)ccc3Cl)c(=O)oc12 4539635 JJXQRGOPQOSQFP-UHFFFAOYSA-N 411.763 4.812 0 40 HJAB CCc1ccc(-c2nc(SCC(=O)NCCCOC)c(-c3ccc(C)cc3)[nH]2)cc1 4927859 XURDKDRWQNJRLB-UHFFFAOYSA-N 423.582 4.859 0 40 HJAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 5099435 BKLDPHMMZFIGON-UHFFFAOYSA-N 406.507 4.667 0 40 HJAB CC(C)[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc2ncccc12 6654025 PSAPSPZGRBIHNG-RUZDIDTESA-N 411.505 4.710 0 40 HJAB Clc1ccc(OCc2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1 7193329 MQHNYQRBXSPSJC-UHFFFAOYSA-N 400.847 4.644 0 40 HJAB CCCCOc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1 7389863 PGJBUNPBSWBEKB-UHFFFAOYSA-N 401.466 4.999 0 40 HJAB CCN(CC(=O)Nc1ccc(OC)cc1)Cc1csc(-c2ccc(Cl)cc2)n1 7904496 VGAJIWMZSGLWDG-UHFFFAOYSA-N 415.946 4.933 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1C(F)(F)F 8151887 ZHGVGXJBOXHRLK-CQSZACIVSA-N 417.431 4.637 0 40 HJAB COc1cccc(NCc2nnc(SCc3cc(C)no3)n2C2CCCCC2)c1 8161145 UCFLCCDKUIUVQN-UHFFFAOYSA-N 413.547 4.993 0 40 HJAB CN(CC(=O)Nc1cccc(F)c1)C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 8313951 YSMAFUOKUFLBHS-SOFGYWHQSA-N 414.786 4.608 0 40 HJAB Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NC(C)C)C1 8624037 HJBNFDZDXDFEMG-NVXWUHKLSA-N 406.452 4.628 0 40 HJAB biogenic,in-vitro C[C@H](c1ccc(-c2ccccc2)c(F)c1)c1nn2c(-c3cnccn3)nnc2s1 9052979 QXRKYRBYOMIYGQ-CYBMUJFWSA-N 402.458 4.601 0 40 HJAB O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2)c1ccco1 9330101 BODSPLVKHRHMRI-SFHVURJKSA-N 417.856 4.833 0 40 HJAB COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2cnn(-c3ccccc3)c2)cc1 9847285 PACZWLFTMWMEEU-VWLOTQADSA-N 424.504 4.690 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)c1ccc(F)c(F)c1 9963819 IEYBWDPFESXUIW-UHFFFAOYSA-N 418.827 4.520 0 40 HJAB Cc1ccc(NC(=O)Cn2c(=O)c(CNc3ccccc3)cc3ccc(C)cc32)cc1 10272805 FKYLXYVBKLKQDS-UHFFFAOYSA-N 411.505 4.869 0 40 HJAB COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1N1CCCC1=O 11257378 WICJCZNCGXUFQI-GFCCVEGCSA-N 423.296 4.535 0 40 HJAB COCCn1c(S[C@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(Cl)cc1 12982492 HNIMGIDBQPUHSK-GFCCVEGCSA-N 407.927 4.605 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccncc2)N1Cc1ccccc1Cl 13212863 QROFTUFDLAZZTM-HXUWFJFHSA-N 402.837 4.587 0 40 HJAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 13733850 UBCZQAZIBQXKFT-MRXNPFEDSA-N 407.514 4.554 0 40 HJAB CCOc1ccc(CNC(=S)Nc2ccc(Br)cc2)cc1OCC 13754894 ISONMNIRGHJXAS-UHFFFAOYSA-N 409.349 4.733 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3F)[C@H]2C(=O)N1c1ccc(Cl)cc1 13787775 BLRJGWCBCDORJS-NJDAHSKKSA-N 422.843 4.530 0 40 HJAB Cc1cccc(CC(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c1 19234642 SWCLKTAVIGBLRA-UHFFFAOYSA-N 401.432 4.839 0 40 HJAB c1ccc(OC[C@H]2CCCO2)c(CN[C@@H](Cc2ccsc2)c2nccs2)c1 19349533 NJXPNIGAQNEPFO-MOPGFXCFSA-N 400.569 4.836 0 40 HJAB O[C@@]1(c2ccccn2)CC[C@H]2CN(Cc3ccc(OCc4cccc(F)c4)cc3)C[C@H]21 19402288 OFQDHCAMMRUMMC-NZJKTDFXSA-N 418.512 4.529 0 40 HJAB CCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(C(F)(F)F)cc1 19694485 QSDNUNRMYKZSSJ-QGZVFWFLSA-N 406.452 4.692 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3cc(Cl)ccc3OC)nnc2c1-c1ccccc1 20633820 QKVKESFKBJUCJN-UHFFFAOYSA-N 421.888 4.576 0 40 HJAB Cc1ccc(C)c(NC(=O)CCc2nc(CSc3nc4ccccc4o3)no2)c1 21721395 UFQGCPSEVRYNNJ-UHFFFAOYSA-N 408.483 4.691 0 40 HJAB CCc1nc2sc([C@@H](c3ccc(C(F)(F)F)cc3)N3CCCCC3)c(O)n2n1 22853100 VJBPNYPKZVWOSQ-OAHLLOKOSA-N 410.465 4.653 0 40 HJAB c1cc2c(cc1Nc1nc(CN3CCOCC3)nc3sc4c(c13)CCCC4)CCC2 23956737 XSRPTLUKLAZMRZ-UHFFFAOYSA-N 420.582 4.635 0 40 HJAB COC(=O)c1ccoc1CSc1nc2ccccc2c(=O)n1-c1c(C)cccc1C 24103438 PQRIZVGRMFQPBG-UHFFFAOYSA-N 420.490 4.674 0 40 HJAB Cc1ccc(-n2cnnc2SCC(=O)N2CCc3sccc3[C@@H]2C)cc1Cl 25575722 YMLHBRKNNDCAPG-ZDUSSCGKSA-N 418.975 4.529 0 40 HJAB Cc1nc(-c2cccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)c2)cs1 26842067 YBXAPGYUAVYXDM-UHFFFAOYSA-N 412.580 4.762 0 40 HJAB Cc1cc(O[C@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)ccc1Cl 27993562 IJOPIPADNLIOKK-OAHLLOKOSA-N 400.931 4.898 0 40 HJAB Cc1ccc([C@@](O)(CCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)C(F)(F)F)o1 31570844 YHUOYXWXVFWCDG-SJCJKPOMSA-N 421.868 4.678 0 40 HJAB COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1OCc1ccncc1 31897311 JEWWJEMSWJJBCB-UHFFFAOYSA-N 409.511 4.647 0 40 HJAB C[C@H]1C[C@@H](C)CN([C@H](C(=O)O)c2c[nH]c3ccc(NC(=O)c4ccccc4)cc23)C1 32093108 XWHQZHIOTWEOGY-DMPWYTOCSA-N 405.498 4.524 0 40 HJAB CN(C)C(=O)CSc1ccccc1C(=O)NCc1cccc(Oc2ccccc2)c1 32362300 AFDMFWGTXHYXAM-UHFFFAOYSA-N 420.534 4.589 0 40 HJAB CCc1ccc(-c2noc(CSc3ccc(-c4ccc5c(c4)OCO5)nn3)n2)cc1 33262465 FGAZGKXOCNZXKF-UHFFFAOYSA-N 418.478 4.777 0 40 HJAB Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2ncn(CCc3ccccc3)c(=O)c12 35672410 PLNLMEMYNNKUEQ-UHFFFAOYSA-N 423.925 4.915 0 40 HJAB COc1ccccc1CN(CCCn1ccnc1)Cc1cn(C)c2ccc(F)cc12 36740345 PMIZRVWBDCIXCV-UHFFFAOYSA-N 406.505 4.615 0 40 HJAB CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccccc1OCC 41078084 KLUULXSPMVANEL-UHFFFAOYSA-N 407.514 4.988 0 40 HJAB COc1ccc(-c2noc(-c3ccc(SCC(=O)Nc4ccccc4)nc3)n2)cc1 49405669 IOOYQNDRHKWCJV-UHFFFAOYSA-N 418.478 4.538 0 40 HJAB Cc1ccc(C[C@@H](C(=O)O)[C@@H](C)C(=O)Nc2ccc(C)c(Br)c2)cc1 71405933 QGIOWNHMLJCGGK-RHSMWYFYSA-N 404.304 4.584 0 40 HJAB COc1cc(C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)ccc1OCc1ccccc1 79104804 KMENHGIHJNWJDB-CVDCTZTESA-N 419.521 4.559 0 40 HJAB CC(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1 89292094 ZUMSIWANPRMVBJ-UHFFFAOYSA-N 422.293 4.977 0 40 HJAB Cc1cc(Br)ccc1N1C(=O)[C@@H]2[C@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O 102835329 QTUXOXRRJXFRKM-TWRRNRRFSA-N 410.311 4.687 0 40 HJAB C[C@@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 103005112 BHIBQOONCFCENX-PLQGUWCTSA-N 401.522 4.510 0 40 HJAB C[C@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 108855373 BHIBQOONCFCENX-SOADLSRISA-N 401.522 4.510 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc3c(c1)CCCC3)CC(C)(C)O2 223266689 ZCKPQDPIVBIUJW-ZHRRBRCNSA-N 409.526 4.760 0 40 HJAB Cc1ccc(CN(C(=O)Cc2c(F)cccc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 224206809 FPDJNYSIDNNSHZ-QGZVFWFLSA-N 418.940 4.520 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 225101122 CYAJYHCLOKLZGT-QFIPXVFZSA-N 410.558 4.522 0 40 HJAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC(C)C)cc1 225357647 OJFMIHYSLGOKLK-VXKWHMMOSA-N 406.555 4.867 0 40 HJAB CN[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)NC)[C@H](O)C[C@]4(C)[C@H]3CC[C@H]2C1(C)C 253589698 LNZWKBNRYPYFPA-OEQRLGNTSA-N 404.683 4.838 0 40 HJAB COCCCNC(=O)CCc1ccc2c(c1)C[C@](C)(Cc1ccc(Cl)c(F)c1)O2 257297740 RIQNRDVAFMNUKB-QHCPKHFHSA-N 419.924 4.501 0 40 HJAB CCc1nc(S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)O)n[nH]1 408631465 JGSYIUCGYJVUBO-ZROIWOOFSA-N 420.288 4.607 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(F)cc3)n2)cc1 408694574 KLHRDTBAXTXYSG-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB Cc1cccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2ccc(Br)cc2)c1 408844518 UAXYMIDQECIXET-XSFVSMFZSA-N 418.294 4.987 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)C2CCCCC2)cc1 409006212 YZLKBRQLNDDSQH-UHFFFAOYSA-N 420.962 4.611 0 40 HJAB O=C(CCCc1c[nH]c2ccccc12)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 409415059 SCPFIOQUNAJIQW-HINZLTGWSA-N 417.597 4.912 0 40 HJAB CC(C)c1cnc(Nc2cccc([C@@H]3CN(C(=O)C4CCCCC4)CCO3)n2)s1 2037836121 RABJDTTXSIJXQD-SFHVURJKSA-N 414.575 4.885 0 40 HJAB COc1ccc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1OC 888503 IUXUBTXZFKXCBA-UHFFFAOYSA-N 400.525 4.562 0 40 HJAB COc1cccc(NC(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n23)c1 902979 ZPJMIWGZTKUIIV-UHFFFAOYSA-N 406.511 4.547 0 40 HJAB O=C1OC(c2ccco2)=N/C1=C\c1ccc(OCc2ccccc2Br)cc1 997529 AKMIZVFHMPZUPP-PDGQHHTCSA-N 424.250 4.966 0 40 HJAB O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(F)c(F)c1 2626910 MXYQUIOKJYAXMB-UHFFFAOYSA-N 418.399 4.857 0 40 HJAB COc1ccc(-c2nnc(SCc3ccc(Br)cc3)o2)cc1OC 3295056 FNGQBPFYNYLSEN-UHFFFAOYSA-N 407.289 4.809 0 40 HJAB O=C(COC(=O)c1cc(Cl)ccc1Cl)NCCc1ccc(Cl)cc1Cl 3325856 GBKNBZILZWBDKW-UHFFFAOYSA-N 421.107 4.816 0 40 HJAB O=C(NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1)c1ccccc1 4677885 JJSHQMNYSJGKNK-UHFFFAOYSA-N 415.474 4.812 0 40 HJAB COc1ccc(OCC(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1 4733340 BASNCPMWBZCTKP-UHFFFAOYSA-N 404.422 4.535 0 40 HJAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1 5241327 HRPPYNXBEYAXMZ-UHFFFAOYSA-N 414.552 4.781 0 40 HJAB COc1ccc(OC)c([C@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)cc2)c1 5256318 GCFCMIIQMKNBFS-NRFANRHFSA-N 411.889 4.796 0 40 HJAB Cc1ccc(CN(C)C(=O)COC(=O)c2cccc(Oc3ccccc3)c2)c(C)c1 5281182 HQLVNXUZFHKUAV-UHFFFAOYSA-N 403.478 4.911 0 40 HJAB CCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(O)nn2C1CCCCCC1 5673329 NIJSTSVLIPVAQT-LJQANCHMSA-N 401.532 4.657 0 40 HJAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1O 5675360 WBTSVYMNMGLOOC-NVNXTCNLSA-N 410.278 4.944 0 40 HJAB Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 6785874 CPEQDEIFXMIGAU-LJQANCHMSA-N 402.494 4.659 0 40 HJAB Cc1ccc2c(Cn3cnc4scc(-c5ccccc5)c4c3=O)cc(=O)oc2c1C 7313411 IIVZHZRCRNPTFD-UHFFFAOYSA-N 414.486 4.897 0 40 HJAB CSc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cccc(F)c3)nc12 7599732 GEYFSWNXDRRMOE-HNNXBMFYSA-N 402.516 4.983 0 40 HJAB COCCN(CCOC)c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 7780605 MRBMFGRTAKSWNP-UHFFFAOYSA-N 420.538 4.520 0 40 HJAB Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)c1 8417618 QWDJAYUOSHSCGV-UHFFFAOYSA-N 416.905 4.556 0 40 HJAB Cc1ccc(C)c(-n2nc(C)c(CNCC(=O)Nc3c(C)cccc3C)c2Cl)c1 8728637 GDGQJRWNDOVTRK-UHFFFAOYSA-N 410.949 4.796 0 40 HJAB O=S(=O)(c1ccccc1)c1ncc(C(F)(F)F)cc1OCCC(F)=C(F)F 8782049 MWCKFEDVSWSZOJ-UHFFFAOYSA-N 411.323 4.780 0 40 HJAB COc1cc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c(OC)cc1Cl 9063357 HZDJCJWUTYXSDW-UHFFFAOYSA-N 423.340 4.861 0 40 HJAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1cc2ccccc2oc1=O 9136229 RHIYZUDNIXAAOV-UHFFFAOYSA-N 424.456 4.525 0 40 HJAB CCOc1ccc(N2C(=O)CS[C@@]23C(=O)N2c4c(cccc43)[C@@H](C)CC2(C)C)cc1 9189999 MCAJWMACMHPGPO-OWJWWREXSA-N 422.550 4.651 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(CCCOc2ccccc2)s1 9355812 AUHOMJRGYZCRPO-UHFFFAOYSA-N 420.494 4.765 0 40 HJAB COc1ccc(CCN2C(=O)c3ccccc3N[C@H]2c2cnn(-c3ccccc3)c2)cc1 9847284 PACZWLFTMWMEEU-RUZDIDTESA-N 424.504 4.690 0 40 HJAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 9996109 GFGYSZAHIOYNMX-AZUAARDMSA-N 408.523 4.831 0 40 HJAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccccc1Sc1ccccc1 10027281 JWFMBVNNCBUXPE-UHFFFAOYSA-N 418.518 4.982 0 40 HJAB COC(=O)c1ccc(C(=O)Nc2nc(-c3cc4cc(OC)ccc4o3)cs2)cc1 10882885 HGCZRMNIBCHUMB-UHFFFAOYSA-N 408.435 4.604 0 40 HJAB Cc1cc(NC(=S)NCCSc2ccc(Cl)cc2)ccc1N1CCCC1=O 10951477 ARWGNEMLENNNBX-UHFFFAOYSA-N 420.003 4.854 0 40 HJAB CCOC(=O)Nc1sc(NC(=O)c2ccc(OC)cc2)nc1-c1ccc(F)cc1 13552362 JNXINDNSNSBKQN-UHFFFAOYSA-N 415.446 4.779 0 40 HJAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1ccc(Br)o1 13694949 JQZMWKNCDVEOOG-UHFFFAOYSA-N 417.284 4.559 0 40 HJAB C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)CC(C)(C)C)nc3[C@@H](C)[C@H]21 15708932 RNEPHWKNACCGHR-RJZIOVCOSA-N 404.576 4.771 0 40 HJAB biogenic,in-vitro CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1OCC 16751081 BNKRYTDHDRBCEQ-JOCHJYFZSA-N 421.493 4.936 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(C)cc2)cc1 16789477 VBSMTOROSLCKRJ-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)CC1 17089728 LWASYDCQYWLXRG-UHFFFAOYSA-N 413.949 4.558 0 40 HJAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN(Cc4ccncc4)C3)cc2n1 19452288 QMNCDPOBKVPWBZ-MRXNPFEDSA-N 403.452 4.646 0 40 HJAB Cc1c(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)[nH]c2ccccc12 19565875 BNBLIEMLNLESJT-XMMPIXPASA-N 418.585 4.987 0 40 HJAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc(Br)cc2)cc1 20109024 QUGMUSPOIDFLLG-LJQANCHMSA-N 406.320 4.740 0 40 HJAB C[C@@H]1CCCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)C1 20381074 VKUYAMQBJBIOQZ-OAHLLOKOSA-N 400.931 4.957 0 40 HJAB Cc1cc(OCC(=O)N2CCCC[C@H]2CCN2CCCCCC2)cc(C)c1Cl 21170881 QEKNDGZMTJBXMH-FQEVSTJZSA-N 406.998 4.983 0 40 HJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(Cl)cc1 21580791 RZACXNWJWKHSQK-UHFFFAOYSA-N 407.857 4.909 0 40 HJAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(OC)c1 21595486 ZUUXPULAOQQWSF-UHFFFAOYSA-N 416.433 4.955 0 40 HJAB COc1ccc(CCNc2cc(C)nc3c(-c4ccc(F)cc4)c(C)nn23)cc1OC 21798835 HCJZQRLQYLEHMC-UHFFFAOYSA-N 420.488 4.824 0 40 HJAB CCC[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3cccc(C)c3)N2C1=O 21936338 PVVDJYUKFFFNRS-BEFAXECRSA-N 420.538 4.514 0 40 HJAB CC(C)c1noc(CSc2nc3ccccc3c(=O)n2[C@@H](C)c2ccccc2)n1 25048381 LWEOTDPLBBUZHK-HNNXBMFYSA-N 406.511 4.805 0 40 HJAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1C 27601788 PKOMTHNLRSJDCL-UHFFFAOYSA-N 415.331 4.557 0 40 HJAB O=C(c1cc(-c2ccccc2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 27664322 UGYGBTPTHPSBBO-UHFFFAOYSA-N 423.516 4.889 0 40 HJAB CC(=O)c1cccc(NC(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)c1 27921027 BGHDBNBRHINSLP-UHFFFAOYSA-N 413.275 4.541 0 40 HJAB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C)c1ccccc1 30755737 INGOGYSNFAJAJT-OAQYLSRUSA-N 408.523 4.677 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)NC1C2CC3CC(C2)CC1C3 32118643 DZFFDXVMIPEACL-DUXPYHPUSA-N 409.382 4.822 0 40 HJAB Cc1nc2c(cc(OCC(=O)Nc3nnc(C(C)C)s3)c3ccsc32)s1 32744129 KRPWRSORKVSYHG-UHFFFAOYSA-N 404.542 4.812 0 40 HJAB COc1ccc(NC(=O)COc2cccc(-c3noc(-c4cccc(F)c4)n3)c2)cc1 33327343 MXEPUSCZLLQRCR-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB CCC(CC)C(=O)NCCN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 33502506 ZKRCVAWCIVNSMQ-NBVRZTHBSA-N 402.560 4.573 0 40 HJAB O=C(Nc1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1)NC1CC1 36395400 XOXQKASKNSEVJD-UHFFFAOYSA-N 402.498 4.973 0 40 HJAB CCCCn1nc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)cc1C 36615835 YLTVTDAOWBTZDW-UHFFFAOYSA-N 416.529 4.654 0 40 HJAB Cc1ccccc1CSCCNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 38852958 GGMUDCCADSRRHY-FQEVSTJZSA-N 417.018 4.910 0 40 HJAB O=C(CCn1ccc2c(Br)cccc21)NCCc1c[nH]c2ccccc12 40310206 IMMYSKDVVQXVME-UHFFFAOYSA-N 410.315 4.634 0 40 HJAB biogenic COc1ccc(CCN2C(=O)c3c(oc4ccccc4c3=O)[C@H]2c2ccccc2)cc1 41104990 IANYMDKFRSTSRO-HSZRJFAPSA-N 411.457 4.590 0 40 HJAB O=C(NCCCSc1ccc(F)cc1)Nc1ccc(NC(=O)c2ccco2)cc1 43975498 MDNJQDJUTVPHMM-UHFFFAOYSA-N 413.474 4.975 0 40 HJAB Cc1cccn2cc(-c3ccc(NC(=O)NC[C@@H](c4cccs4)N(C)C)cc3)nc12 48300193 GVDTWLUFKDUWGN-FQEVSTJZSA-N 419.554 4.796 0 40 HJAB CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C)cc4)CC3)[nH]n2)cc1 72331258 WXMWEAYSQLNLJY-UHFFFAOYSA-N 418.541 4.526 0 40 HJAB Cc1cccc(N(CCC(N)=O)C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 95349129 PCFXYMIBSCEZFE-UHFFFAOYSA-N 421.111 4.526 0 40 HJAB COc1cccc(-n2cnc3c2[C@@H](c2ccc(O)c(Cl)c2)SCC(O)=N3)c1 95473732 LPKKINZJQZZUAU-GOSISDBHSA-N 401.875 4.664 0 40 HJAB COc1ccc([C@H]2CC3=Nc4nonc4N[C@@H](c4ccc(F)cc4)C3=C(O)C2)cc1 102739418 KPKJPAXKIZJFDQ-XOBRGWDASA-N 406.417 4.846 0 40 HJAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)c1C 103718263 XPCFGINITOJSJK-CYBMUJFWSA-N 410.823 4.967 0 40 HJAB COc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 107948002 DCOKAHAGILODDA-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB C[C@](O)(CNC(=O)c1cc(Br)cs1)c1ccc(-c2ccccc2)cc1 206702813 IRGJMMHSNVILPK-FQEVSTJZSA-N 416.340 4.815 0 40 HJAB CC(C)Oc1cccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1 222534005 LSINAPORSXXGPF-UHFFFAOYSA-N 424.522 4.551 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSCc1ccccc1 222924320 WMSWCNXRIRZICJ-KRWDZBQOSA-N 418.990 4.517 0 40 HJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 222934561 IWCPPCUDLDMEOP-PMACEKPBSA-N 411.962 4.549 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 222962202 RVSNHXJKVGJZBD-FQEVSTJZSA-N 418.990 4.766 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)ccc1C 223071116 YJZUFTIDOIXFQW-RBUKOAKNSA-N 414.977 4.831 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1C1CCCCC1 223112006 XRFCSBQCMUUQKI-XZOQPEGZSA-N 417.582 4.632 0 40 HJAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCCC(C)C)c1ccccc1 223552806 PCYKVTDUPVWOCT-DEOSSOPVSA-N 410.558 4.728 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 223639801 NKTLZOMQBOCDPG-XMMPIXPASA-N 424.585 4.714 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 223720166 KJRMANLBRGVBLD-LJQANCHMSA-N 410.583 4.563 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 224264255 MGCHHXUSJVHWMC-INIZCTEOSA-N 421.368 4.725 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 224440887 GCHLUYAWJQJNLS-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 224668409 ABMKQXVNJMSUEK-KRWDZBQOSA-N 418.990 4.684 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 224985561 SWNCMWRDWVVZBI-UHFFFAOYSA-N 412.873 4.659 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 225555103 RQCHBYWBEDJRRC-PGRDOPGGSA-N 414.977 4.913 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 225571418 XEMFIAJXDWHXIB-MRXNPFEDSA-N 421.368 4.868 0 40 HJAB O=C(O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1 226333777 QGIRFCHKYXFPKL-XBXARRHUSA-N 414.626 4.621 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3N3CCC(C)CC3)CC2=O)cc1C 408707899 MLPVKFVWOBQYQZ-HXUWFJFHSA-N 405.542 4.531 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccccc1Cl 408806877 CBNIZEQLELFEIC-WQRHYEAKSA-N 403.887 4.984 0 40 HJAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1O 409412157 SHPDJLRKVITIKH-UHFFFAOYSA-N 404.495 4.555 0 40 HJAB Cc1ccc(CCCNC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c(C)c1 590976691 IEBKNXPODBYSFZ-UHFFFAOYSA-N 418.541 4.875 0 40 HJAB CCN1CCCCCCCN(C(C)=O)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643583448 UXEQBXKOFDKTRD-GGAORHGYSA-N 400.563 4.651 0 40 HJAB O=C(N[C@H](c1cccs1)C1CCOCC1)c1ccc(Oc2nccs2)cc1 1565523353 LXXYHDPQHOFDKR-SFHVURJKSA-N 400.525 4.895 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccncc4)nc3c2)c(C)c1 1267347 UIYNJDNYYHAJDT-UHFFFAOYSA-N 402.479 4.633 0 40 HJAB CCc1ccc(N2C(=O)C[C@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1 1378784 LSCILNVUZFJUDZ-VRAYXWLRSA-N 402.538 4.887 0 40 HJAB COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 2412236 GSLSBNIBYNSAPZ-IBGZPJMESA-N 422.824 4.501 0 40 HJAB COc1ccc(CC(=O)Nc2nn(CC(C)C)c3nc4ccc(C)cc4cc23)cc1 2428121 FDFBQNWMQOWDPB-UHFFFAOYSA-N 402.498 4.739 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2Oc2ccccc2)n1C 2640877 DAAAYHJLNWHGTQ-UHFFFAOYSA-N 420.494 4.907 0 40 HJAB CCOc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3ccc(F)cc3c2=O)cc1 2687015 QVBQUKHKWZRBPD-UHFFFAOYSA-N 419.427 4.958 0 40 HJAB COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1cccc(C)c1 2690299 WOBRGKGUFCDBME-UHFFFAOYSA-N 401.437 4.737 0 40 HJAB O=c1c2c(nc(SCc3ccc(Cl)cc3)n1-c1ccc(F)cc1)CCS2 2719974 FVXGQRVDPPIRJB-UHFFFAOYSA-N 404.919 4.966 0 40 HJAB COc1ccc(-c2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)cc1OC 2930994 YCRUBICGPMCOMB-UHFFFAOYSA-N 407.451 4.735 0 40 HJAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)NC(c1ccccc1)c1ccccc1 3313074 IWQURPXILWAIMI-UHFFFAOYSA-N 413.395 4.768 0 40 HJAB Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cc(Cl)cc(Cl)c1 3887440 XPMZQAIUBZVBBS-UHFFFAOYSA-N 401.315 4.543 0 40 HJAB CC(C)(C)NC(=O)O[C@H]1CS[C@H]2c3ccccc3C(=O)N2Cc2sccc21 4108896 PWDISRYZBGDCPW-YJBOKZPZSA-N 402.541 4.715 0 40 HJAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 4517751 MFZACUSNPGYCQV-UHFFFAOYSA-N 408.504 4.619 0 40 HJAB COc1ccccc1Cn1cc(C(=O)c2ccc(F)cc2)c(=O)c2cc(C)ccc21 4937172 DBKHFBDFSCKJFH-UHFFFAOYSA-N 401.437 4.737 0 40 HJAB CC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1Cl)C[C@H](c1ccc(Cl)cc1)N2 5157862 UJZBNLCNDSLHTC-IAGOWNOFSA-N 402.285 4.690 0 40 HJAB CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1cccc(Cl)c1 5430155 JEEQRCFZAVQKDQ-CQSZACIVSA-N 400.935 4.662 0 40 HJAB Cc1oc2cc(OCC(=O)N[C@@H]3CCCC[C@@H]3C)ccc2c(=O)c1-c1ccccc1 5497955 RDUQITYXBDNZHB-HRAATJIYSA-N 405.494 4.842 0 40 HJAB Cc1nc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)c(Cl)cc1Cl 6051723 BQEISNQVZWCASM-UHFFFAOYSA-N 408.068 4.799 0 40 HJAB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccc(Cl)c(Cl)c1 6453111 CRVCZDTYVAEMLS-UHFFFAOYSA-N 400.287 4.869 0 40 HJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OC)c2cccc(OC)c12 6594637 OPUIIJKJCUCQGI-HXUWFJFHSA-N 410.495 4.625 0 40 HJAB O=C(Nc1ccccc1N1CCCC1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 6647763 OHNKVVKWMTYLEQ-DEOSSOPVSA-N 412.489 4.993 0 40 HJAB CN(c1ccccc1C(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 8091344 NUJPDPBGRZCZTD-UHFFFAOYSA-N 416.502 4.917 0 40 HJAB COc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 8287221 BAMKLAYTRPQFIL-NRFANRHFSA-N 408.885 4.849 0 40 HJAB Cc1ccccc1N(CC(=O)c1ccc(Br)cc1)C1=NCCCS1 8415701 NMKIHHWZXOZGAZ-UHFFFAOYSA-N 403.345 4.940 0 40 HJAB CCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccc2c(c1)CCCC2 9193360 NPXHBJDMQDRETR-IRXDYDNUSA-N 412.603 4.725 0 40 HJAB COc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(Br)c3)cs2)cc1 9329490 PEUPBXVMPGJCMW-UHFFFAOYSA-N 419.300 4.842 0 40 HJAB CCCn1nc(NS(=O)(=O)c2ccc(Cl)cc2)c2cc3cccc(C)c3nc21 9332167 QDGQWWMWVNARCO-UHFFFAOYSA-N 414.918 4.757 0 40 HJAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)S(=O)(=O)c2ccc(C)cc2)cc1 9347799 JRLUZQVJBULPTG-UHFFFAOYSA-N 418.518 4.540 0 40 HJAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)NCc1ccccc1Cl 9485703 QMGCCFBZBHHHQH-UHFFFAOYSA-N 419.864 4.809 0 40 HJAB COc1ccc(-c2nnc(SCc3cc(C)no3)n2CCc2ccccc2)cc1 9862393 DPWPDKYTNJXNNL-UHFFFAOYSA-N 406.511 4.785 0 40 HJAB COc1ccc(-c2cn3c(C(=O)Nc4nc5ccccc5s4)csc3n2)cc1 11902229 ZPRWDPJSLJGXSP-UHFFFAOYSA-N 406.492 4.933 0 40 HJAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N3CCC[C@@H](C)C3)c2c1 12437955 WCUGMSRSCMUPKH-MRXNPFEDSA-N 424.566 4.929 0 40 HJAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cc(Cl)ccc1Oc1ccccc1 12531795 WULGVZZCNSRXLG-UHFFFAOYSA-N 422.790 4.952 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(SCc2cn3ccccc3n2)cc1 12535674 GXKPMEWNQKXERZ-UHFFFAOYSA-N 417.490 4.650 0 40 HJAB CC(C)OCCCNC(=O)c1cccnc1Sc1ccc(Br)cc1 12741945 ONSQVXJYFVXNIE-UHFFFAOYSA-N 409.349 4.540 0 40 HJAB O=C1C[C@@H](C(=O)Nc2nc(-c3ccccc3Cl)cs2)c2ccc(F)cc2N1 12899337 NLDBWQSBEUBUDJ-CYBMUJFWSA-N 401.850 4.667 0 40 HJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(I)cc1 12993467 ADWVHGXERHSJNT-LLVKDONJSA-N 422.291 4.734 0 40 HJAB Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)CC2)c1C 13069440 BOANBAZPCYKHCF-INIZCTEOSA-N 406.357 4.759 0 40 HJAB O=C(Nc1nc2n(n1)[C@H](c1ccccc1)C[C@@H](c1ccc(Cl)cc1)N2)c1ccco1 13127131 NEVMOMRLRQYLOS-ROUUACIJSA-N 419.872 4.923 0 40 HJAB COC(=O)c1ccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)o1 13149780 GLLJYGRICOURPW-UHFFFAOYSA-N 419.890 4.517 0 40 HJAB Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)n(-c2nc(-c3cccs3)cs2)n1 17012009 PSYXUSOWGYGRJR-CQSZACIVSA-N 410.524 4.772 0 40 HJAB CC1=C(CC/C(C)=C\CCC2=CC[C@@H](C3=CC(=O)O[C@@H]3O)O[C@@H]2O)C(C)(C)CCC1 17125211 FGJIDQWRRLDGDB-WILDOFIMSA-N 416.558 4.855 0 40 HJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1cc2ccccc2oc1=O 17178247 SVUYMRRVRYAUIO-UHFFFAOYSA-N 424.456 4.638 0 40 HJAB CCOc1ccc(N/C=C2/C(=O)N(c3ccccc3OC)C(=O)c3ccccc32)cc1 17779837 PMIKULDBGLBJQN-LTGZKZEYSA-N 414.461 4.734 0 40 HJAB c1cc(CN[C@H](Cc2ccsc2)c2nccs2)cc(OC[C@@H]2CCCO2)c1 19330948 AHAJRUKAXIWTCL-VQTJNVASSA-N 400.569 4.836 0 40 HJAB Cc1[nH]c2c(C(=O)N3CCC[C@]4(CCC(=O)N4)[C@H]3c3ccc(F)cc3)cccc2c1C 19576899 FVKWWOWTXLJSAG-NOZRDPDXSA-N 419.500 4.550 0 40 HJAB CCOc1cc(C)c(/C=C2\NC(=S)N(c3ccc(OC)cc3)C2=O)cc1C(C)C 20035592 UVVIJFQGSZTXBM-MOSHPQCFSA-N 410.539 4.788 0 40 HJAB O=C(/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)Nc1ccc(O)c(C(=O)O)c1 20145435 HADQMLCSDYIENH-XBXARRHUSA-N 401.777 4.795 0 40 HJAB CCOc1cc(OCC)cc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c1 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Cc1ccc(-c2cc(CNC(=O)NCc3cc(-c4ccc(C)cc4)no3)on2)cc1 47082105 WXBJUKGVBLCSSV-UHFFFAOYSA-N 402.454 4.613 0 40 HJAB CC(=O)NC1(c2ccccc2)CCN(Cc2c(C(C)C)[nH]c3ncc(C)cc23)CC1 72395260 LURYFZJZHROGKJ-UHFFFAOYSA-N 404.558 4.622 0 40 HJAB CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCc1ccc(Cl)cc1 107852576 LJUAZMJXNCAFCC-UHFFFAOYSA-N 421.353 4.827 0 40 HJAB CC1CCN([C@H](C(=O)NCCc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1 141593149 UQDYYMXKRNYQEA-NRFANRHFSA-N 404.476 4.837 0 40 HJAB Cc1cnc(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)c(Cl)c1 224020616 GEXAHFYBFZOLHH-UHFFFAOYSA-N 410.370 4.732 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 224592851 XJDSDYDLKOLCHK-DEOSSOPVSA-N 408.586 4.734 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 225248457 OJVLDBPISNHLFK-CVEARBPZSA-N 421.368 4.868 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)C 225631598 AIJSATKLNJKUKB-INIZCTEOSA-N 421.368 4.786 0 40 HJAB CCOc1ccc(C2(NC(=S)Nc3ccc(OC)c(OC)c3)CCCC2)cc1 225849946 LJWHIWMCHCNFMT-UHFFFAOYSA-N 400.544 4.858 0 40 HJAB CCc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 225853670 RASZONQIHFOWMT-SFHVURJKSA-N 422.550 4.565 0 40 HJAB C[C@H](NC(=S)Nc1nc(Cl)cc(N2Cc3ccccc3C2)n1)c1ccccc1 225964129 SWKCBEADZBWOBW-AWEZNQCLSA-N 409.946 4.698 0 40 HJAB Cc1ccccc1-c1ccccc1CC1(C(N)=O)CCN(C(=O)c2ccccc2)CC1 257270288 MTOCXTVEQFBZIX-UHFFFAOYSA-N 412.533 4.612 0 40 HJAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)COc3ccc(F)cc3)o2)c1 257304785 SNDDYNIIBSFEAO-JOCHJYFZSA-N 424.472 4.546 0 40 HJAB COc1cccc2c1OC1(CCN(Cc3ccc(Cl)cn3)CC1)[C@H]1CCCO[C@H]21 257332077 XVQSTERMOBWXGH-PZJWPPBQSA-N 414.933 4.639 0 40 HJAB COc1ccccc1NC(=O)COc1ccc(CNc2ccc(C)cc2)cc1OC 408558386 UHQGYNYQLVPMGE-UHFFFAOYSA-N 406.482 4.642 0 40 HJAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N(C)Cc2ccccc2)cc1 408676294 MXXFFVDXGSMNLR-UHFFFAOYSA-N 412.489 4.846 0 40 HJAB CCn1c(SCc2ccc(F)cc2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 409348575 OVHMSHHNCRRNFO-IBGZPJMESA-N 412.534 4.857 0 40 HJAB O=C1Cc2cc(CCCC(=O)Nc3ccccc3N3CCc4ccccc43)ccc2N1 520511355 UDOHZCKBOBRXQT-UHFFFAOYSA-N 411.505 4.837 0 40 HJAB CCc1ccc(C[C@]2(C)Cc3cc(C(=O)N(CCC(=O)O)CC(C)C)ccc3O2)cc1 585268038 UUZMVPXQBGATDY-AREMUKBSSA-N 423.553 4.758 0 40 HJAB CO[C@H]1C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242648 FPTASWIGMAHDSL-TXKCWOHGSA-N 422.504 4.614 0 40 HJAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 738419 STDKRFVRIXOZAE-UHFFFAOYSA-N 420.340 4.550 0 40 HJAB O=C(NC[C@H]1CCC[C@H](CNC(=O)c2ccccc2Cl)C1)c1ccccc1Cl 831498 LXTIPAQPOSISLR-HOTGVXAUSA-N 419.352 4.960 0 40 HJAB CSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Br)cc2)N1 950012 XFIYEOMWHRCMDZ-KRWDZBQOSA-N 416.344 4.725 0 40 HJAB O=C(CSc1nnc2n(Cc3ccccc3)c3ccccc3n12)c1ccc(F)cc1 1364910 LMDIRIQNSOFWFT-UHFFFAOYSA-N 416.481 4.846 0 40 HJAB COc1ccc(-c2csc(NC(=O)Cc3c(F)cccc3Cl)n2)cc1OC 2627718 ZXJIRIACGRWMAX-UHFFFAOYSA-N 406.866 4.801 0 40 HJAB O=C(c1ccccc1I)N(c1nccs1)C1CCCCC1 3299270 HPIKIKTWZLVITI-UHFFFAOYSA-N 412.296 4.727 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)s2)cc1 3469743 GMTVFJPHGZFZFG-GOSISDBHSA-N 410.568 4.876 0 40 HJAB CCCSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1 4087467 LFIKSKSPEWZULZ-UHFFFAOYSA-N 424.614 4.661 0 40 HJAB C[C@H](NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 4404713 TZNQOJGWTXLGEJ-UFUIYJINSA-N 400.632 4.798 0 40 HJAB COc1c(S(=O)(=O)NCCC23CC4CC(CC(C4)C2)C3)ccc(Cl)c1Cl 4578124 PQXDKQFRLDGRME-UHFFFAOYSA-N 418.386 4.887 0 40 HJAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCc4cc(OC(=S)N(C)C)ccc4[C@@H]3CC[C@]12C 5064982 GQZNFJMIFMSYRX-YDLBFBONSA-N 401.572 4.700 0 40 HJAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)no1 5163273 CACORSXKIAVBMO-SFHVURJKSA-N 410.788 4.632 0 40 HJAB O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc(-c2ccc3nncn3n2)c1 5168618 HBSPYWHPLCFWME-UHFFFAOYSA-N 419.488 4.952 0 40 HJAB Cc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc4c(c3)OCCO4)sc2c1 5265048 XAOACNUKCOZNBZ-UHFFFAOYSA-N 417.490 4.618 0 40 HJAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccccc1C(F)(F)F 5305189 LRNJENVNPSUXFX-UHFFFAOYSA-N 403.404 4.614 0 40 HJAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2cc(C)ccc2C)NC(=O)N1 5517251 AZWRXTURPPEQAD-GOSISDBHSA-N 403.404 4.589 0 40 HJAB O=C(NCc1ccccn1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 6549377 SQKKFWDRZFYZFY-UHFFFAOYSA-N 402.885 4.577 0 40 HJAB O=C1c2ccccc2N[C@H](c2cc(Cl)c3c(c2)OCCCO3)N1Cc1ccco1 7113060 YCMKPUHQOSNXDU-NRFANRHFSA-N 410.857 4.861 0 40 HJAB CCOc1ccccc1NC(=O)[C@H](Sc1nnc(C)n1C1CC1)c1ccccc1 7617389 WMORCEOJGWHTCL-HXUWFJFHSA-N 408.527 4.792 0 40 HJAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)CC2=O)cc1 7882334 LXQRDYZLYRXAOX-SFHVURJKSA-N 416.477 4.788 0 40 HJAB Cc1ccccc1-n1nc(C(=O)NCc2ccccc2)nc1-c1cccc(Cl)c1 8476545 TUTOOJLYHOFWMI-UHFFFAOYSA-N 402.885 4.826 0 40 HJAB O=C(COc1ccc(-c2nc3ccccc3s2)cc1)Nc1ccc2c(c1)OCCO2 8861076 LVSYKYSJMINBQP-UHFFFAOYSA-N 418.474 4.752 0 40 HJAB O=c1[nH]c(CSc2nnc(C3CC3)n2C2CC2)nc2sc(-c3ccccc3)cc12 9056191 GYCHUNCPQBRBPE-UHFFFAOYSA-N 421.551 4.748 0 40 HJAB O=C(Cc1c(Cl)cccc1Cl)Nc1nn2cc(-c3ccccc3)nc2s1 12524816 OWZVVMPSVLEMKM-UHFFFAOYSA-N 403.294 4.946 0 40 HJAB COc1ccccc1[C@@H]1[C@H](C(=O)Nc2ccncc2)CCC(=O)N1c1ccc(C)cc1 12775979 BBRCWTVFWKRRJT-ZJSXRUAMSA-N 415.493 4.522 0 40 HJAB Cc1cccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccccc4F)OC3=O)cc2)c1 13928283 HMVIGTQFTRCODP-STZFKDTASA-N 401.393 4.698 0 40 HJAB CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)/C=C/c2cccc3cccnc23)cc1 14855209 INPKQNZQCONXMH-OKACTXMXSA-N 416.477 4.801 0 40 HJAB CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccccc3F)CC[C@H]21 19081652 ZTWPWFFKHDSGNX-SFHLNBCPSA-N 400.563 4.750 0 40 HJAB Cc1cc([C@@H]2CCCCCN2C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)on1 19120192 MNZZHWHFORBBHH-INIZCTEOSA-N 415.444 4.598 0 40 HJAB COc1cccc([C@H]2c3ccccc3CCN2C(=O)c2cc(C)nc3onc(C)c23)c1 19716658 DARRSDOIJIUQDE-QHCPKHFHSA-N 413.477 4.636 0 40 HJAB CCOc1ccc(NC(=O)CSc2nnc(-c3cc(Cl)ccc3OC)o2)cc1 19929130 XEPLQUDTERBHGD-UHFFFAOYSA-N 419.890 4.528 0 40 HJAB Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(F)cc2)C4)cc1 20671483 LUBBXTOGAASGHU-KRWDZBQOSA-N 418.497 4.777 0 40 HJAB Cc1ccc2[nH]c(C(=O)NCCc3ccccc3)c(NC(=O)c3ccc(F)cc3)c2c1 21361933 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NLWIGVBGCYGRHZ-UHFFFAOYSA-N 415.530 4.529 0 40 HJAB O=C(NCCSCc1ccccc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38836997 IXNHLSUTNVCVPI-FQEVSTJZSA-N 402.991 4.602 0 40 HJAB CN(c1ccccc1)c1ccccc1NC(=O)COc1ccc2ccc(=O)oc2c1 40114489 IZJUUBRSJRUTGW-UHFFFAOYSA-N 400.434 4.578 0 40 HJAB O=C(COC1CCCC1)N[C@H](c1ccccc1)c1ccc(Br)cc1F 40154992 QUBSSJODZRKRKM-HXUWFJFHSA-N 406.295 4.753 0 40 HJAB CC(C)c1ccc(CNC(=O)CCn2nc(-c3ccc(C(C)C)cc3)ccc2=O)cc1 41255206 SMDXFYPZSTZOIC-UHFFFAOYSA-N 417.553 4.864 0 40 HJAB C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)c1nc(C(C)(C)C)no1 44109810 COXSMOBBIKDJEV-VIFPVBQESA-N 408.325 4.768 0 40 HJAB CCN(CC)[C@H](CNC(=O)NC[C@@H](c1ccsc1)N(CC)CC)c1ccsc1 48286096 IDBSRZHYYUBMAW-BGYRXZFFSA-N 422.664 4.575 0 40 HJAB CCN(C(=O)Cn1c(-c2cccc(Cl)c2)nc(C)c(C)c1=O)c1cccc(C)c1 57527946 HNUHCBIZBPEUBX-UHFFFAOYSA-N 409.917 4.542 0 40 HJAB CC(C)n1ncc2c(C(=O)NCC[C@H](O)c3ccccc3)cc(-c3ccccc3)nc21 72303082 HBVBRLKFBIDRTA-QHCPKHFHSA-N 414.509 4.533 0 40 HJAB Cc1ccc(OC2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)CC2)nc1 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Cc1ccccc1Cc1cccc([C@@H]2CN(C(=O)c3nccc4ccccc34)CCO2)n1 257343493 ZTGHRPLWRXVFQQ-VWLOTQADSA-N 423.516 4.743 0 40 HJAB O=C(Nc1c(F)cccc1F)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 390826069 ATFXVLQMBBTASB-UHFFFAOYSA-N 411.456 4.700 0 40 HJAB Cc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)c1C 408736804 IFNIXSPSVUYNIF-JOCHJYFZSA-N 407.514 4.717 0 40 HJAB O=C(COC(=O)c1ccccc1Cl)Nc1ccc(Br)c(Cl)c1 409211239 MQHOEZOXRZYGLC-UHFFFAOYSA-N 403.059 4.551 0 40 HJAB O=C(C[C@@H](c1ccsc1)n1cccc1)NCCCCCc1nc2ccccc2[nH]1 524735178 CMBYLNQBUYTQOZ-NRFANRHFSA-N 406.555 4.935 0 40 HJAB Cc1cnc(Nc2cccc(CC3CCN(C(=O)c4ccccc4F)CC3)n2)s1 585263600 SNCCWERIUHERPX-UHFFFAOYSA-N 410.518 4.824 0 40 HJAB CCc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ncccc3C)cs2)cc1 585273789 RUPBRUWANJFXFQ-NRFANRHFSA-N 406.555 4.998 0 40 HJAB O=C(CC1CCCC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643570949 ZVSJHSVNKJDJAI-UHFFFAOYSA-N 413.558 4.524 0 40 HJAB CCCCN1CCOc2ccccc2CCCCC2(CCN(C(=O)C3CC3)CC2)C1 643588725 JFVDFUULNDWNSZ-UHFFFAOYSA-N 412.618 4.913 0 40 HJAB Cc1cc(C)c(C)c(OC[C@]2(O)COCCN([C@H]3CC[C@H](c4ccccc4)CC3)C2)c1 2037946951 APPLGYZIIIQMDT-RGSZASNESA-N 423.597 4.780 0 40 HJAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 682531 NNTNPNIPPQTJOK-QGZVFWFLSA-N 401.462 4.837 0 40 HJAB O=C(/C=C/c1ccccc1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1 1366286 MYSIGEGBBQWXMK-IZZDOVSWSA-N 415.518 4.761 0 40 HJAB Cc1c(NC(=O)c2ccccc2CCc2ccccc2)c(=O)n(-c2ccccc2)n1C 1425957 YJHGGYHLBNSUMW-UHFFFAOYSA-N 411.505 4.522 0 40 HJAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(Cl)c(Cl)cc1Cl 1725875 ZNVWBEIILSUHOR-SNVBAGLBSA-N 402.661 4.867 0 40 HJAB CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc(C(C)=O)cc2)c2nc3ccccc3nc12 2394167 AYFSXOADOVKIHH-CQSZACIVSA-N 416.481 4.561 0 40 HJAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 2447443 XFDGDNFFEIDVPK-UHFFFAOYSA-N 400.935 4.990 0 40 HJAB COCCCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 2621266 SURGZOKHPRYTEH-UHFFFAOYSA-N 419.909 4.749 0 40 HJAB Cc1cccc(-n2nnnc2S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 2623090 FWYZXVXIESFNCI-HXUWFJFHSA-N 419.485 4.582 0 40 HJAB Cc1cc(C(=O)CSc2nncn2-c2ccccc2)c(C)n1CCc1ccccc1 2656318 MBUIVBLDWCCTGQ-UHFFFAOYSA-N 416.550 4.903 0 40 HJAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1nc(-c2ccccc2)cs1 3223129 UOFQNWSEONEJBR-UHFFFAOYSA-N 419.506 4.796 0 40 HJAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c1C 3421876 KSJOBWNKRLVVNG-INIZCTEOSA-N 424.570 4.745 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 4544061 FMMKGHRXHFQRFN-XMMPIXPASA-N 402.881 4.912 0 40 HJAB O=C(Nc1ccc(F)cc1F)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 4672222 AIITYLZZKZKQNQ-UHFFFAOYSA-N 413.251 4.763 0 40 HJAB CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 4681687 MODBVXIYZXXSKD-UHFFFAOYSA-N 403.504 4.905 0 40 HJAB Cc1oc2cc3oc(=O)c(CCC(=O)NCCc4ccc(F)cc4)c(C)c3cc2c1C 5235688 SIVUAHZKJSYBJA-UHFFFAOYSA-N 421.468 4.895 0 40 HJAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 5333552 HEHCEWYMVJDOCE-INIZCTEOSA-N 424.545 4.649 0 40 HJAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N1c2ccccc2C[C@H]1C 6531993 XHPWRHFCTNCPAL-SJORKVTESA-N 418.566 4.662 0 40 HJAB CCOc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1ccc(C)cc1)=N2 6601918 ONVVEPBHLJZWBZ-UHFFFAOYSA-N 415.493 4.845 0 40 HJAB CCCn1c(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)nc2ccccc21 6650157 GQWNTDQDQAFIPW-UHFFFAOYSA-N 404.470 4.882 0 40 HJAB Cc1sc2nc(S[C@H](C(=O)N(C)C)c3ccccc3)n(C(C)C)c(=O)c2c1C 6844416 WOVXCEJMUAZMDP-KRWDZBQOSA-N 415.584 4.577 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 7653435 KJKCTGIMQXNTLS-UHFFFAOYSA-N 422.550 4.943 0 40 HJAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc3c(c2)OCO3)cc1 7912723 BPPCWCOZJXXEQT-UHFFFAOYSA-N 411.461 4.888 0 40 HJAB COc1cc(NCC(=O)NC(c2ccccc2)c2ccccc2)c(OC)cc1Cl 7978842 XJZMVAXEYPTPMP-UHFFFAOYSA-N 410.901 4.675 0 40 HJAB O=C(CCSc1ccccc1F)Nc1cccc(-c2nnc3n2CCCCC3)c1 8270878 SPFAUVYVILJYEI-UHFFFAOYSA-N 410.518 4.932 0 40 HJAB CC(C)[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc2c(c1)OCCO2 8345297 DJNFKUWHBDCBFY-OAQYLSRUSA-N 403.906 4.759 0 40 HJAB Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 8475627 NQXQOTIIGZMVSK-UHFFFAOYSA-N 412.287 4.504 0 40 HJAB O=C(CSc1nccn1Cc1ccco1)Nc1cc(C(F)(F)F)ccc1Cl 8601211 UWKCCBHPHJHCDN-UHFFFAOYSA-N 415.824 4.927 0 40 HJAB CN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(OCc2ccccc2)c1 8845495 BQXIFBFXVCRHOF-DEOSSOPVSA-N 411.461 4.536 0 40 HJAB COc1ccc(-c2nc3c(s2)CN(C(=S)Nc2ccccc2)CC3)cc1OC 9423945 UYJVQFFNZBCVBD-UHFFFAOYSA-N 411.552 4.582 0 40 HJAB COc1ccc(C(C)=O)cc1CC(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1 9868120 IXLQGWCXNCAWDH-UHFFFAOYSA-N 409.511 4.721 0 40 HJAB CCOc1cc(CNCCCn2ccnc2)cc(Cl)c1OCc1ccc(F)cc1 10314039 NYUFAIMVJHPHQI-UHFFFAOYSA-N 417.912 4.833 0 40 HJAB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2ccc(C)cn2)cc1OC 10429957 KOFSTOUMBQTLIH-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB COc1cccc(-c2nc(C)c(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)c1 13683347 VMSQEGIEVQJIQX-UHFFFAOYSA-N 421.566 4.522 0 40 HJAB O=C(CCn1ccc2ccc(Br)cc21)NCCc1c[nH]c2ccccc12 13691922 QNUQFEGSOXPVHX-UHFFFAOYSA-N 410.315 4.634 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)c2csc(-c3ccsc3)n2)c(OC)c1 14183888 JFNKVXMALUXRCS-KRWDZBQOSA-N 400.525 4.866 0 40 HJAB O=C(Nc1ccc(I)cc1)c1ccc(COc2ccccc2)o1 15501820 QVHIIGZBGLFVCK-UHFFFAOYSA-N 419.218 4.716 0 40 HJAB Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)c1ccccc1Br 15783789 UHYGRUYOQGOSHX-UHFFFAOYSA-N 419.319 4.993 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1 16031147 XZYKIQPREZQZPN-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CC(C)CC(=O)N1CC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 19446253 MRULFJKLHNZSRE-ZDUSSCGKSA-N 422.476 4.839 0 40 HJAB COc1ccc(CNc2ncc(-c3cccs3)c(-c3nccs3)n2)cc1OC 19561268 KIIOWDXJQOXZKO-UHFFFAOYSA-N 410.524 4.958 0 40 HJAB COc1ccc([C@@H](C)NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1F 21465569 QXZRYWCOZGGPOP-GFCCVEGCSA-N 404.388 4.578 0 40 HJAB COc1ccc(NC(=O)N2CCS[C@@H]2c2cc(Br)ccc2OC)cc1 28232268 UCJKYNTYMCUTOY-QGZVFWFLSA-N 423.332 4.746 0 40 HJAB C[C@@H]1Oc2ccc(NC(=O)c3ccc(OCc4ccccc4Cl)cc3)cc2NC1=O 32624496 ZIOKRPBZMJOCEU-AWEZNQCLSA-N 422.868 4.891 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)c2nc(-c3ccncc3)nc3ccccc23)c(C)c1 32899819 XFDYAZFUXOFIHX-UHFFFAOYSA-N 411.509 4.692 0 40 HJAB COc1ccc(Br)c(C(=O)NCc2ccc(F)cc2C(F)(F)F)c1 32930159 NCSZCZUSJIOKGT-UHFFFAOYSA-N 406.173 4.546 0 40 HJAB COc1ccc(CCNC(=O)Nc2ccccc2NC(=O)c2ccccc2C)cc1 36709645 DGYOOGYRIYXDMM-UHFFFAOYSA-N 403.482 4.620 0 40 HJAB CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 40104385 BZTRJGVZIVJUES-UHFFFAOYSA-N 417.300 4.646 0 40 HJAB Cc1cc(Br)ccc1SCC(=O)Nc1ccc(-c2nnco2)cc1 47298843 VBJYCMNBBYIQSP-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB CC(C)COc1ccc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1 49547576 TZQPWDIPBYEGCI-IBGZPJMESA-N 408.523 4.682 0 40 HJAB COc1ccc([C@H]2SCC(O)=Nc3c2cnn3C)cc1OCc1ccccc1F 61718898 USEXETHJVOCQRP-HXUWFJFHSA-N 413.474 4.571 0 40 HJAB CCN(CC)[C@@H](C(=O)NCc1ccccc1COC)c1cccc(C(F)(F)F)c1 72283615 AHLVMVYDARODGT-HXUWFJFHSA-N 408.464 4.551 0 40 HJAB COc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 72348685 IYHBSXMCBBLXRT-FQEVSTJZSA-N 404.485 4.840 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 72358965 PGSWADMQKPTQCW-SFHVURJKSA-N 414.484 4.713 0 40 HJAB Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1Cc1c(C(N)=O)sc2ccccc12 72370312 TVADSVYPSZBPQB-KRWDZBQOSA-N 410.587 4.602 0 40 HJAB O=C(CSC1CCCC1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77197887 FSWIQUGAXQEQIQ-CQSZACIVSA-N 405.564 4.726 0 40 HJAB CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2c1 85914778 YOFPIQPIAWDZSZ-GANZUKCXSA-N 411.546 4.789 0 40 HJAB COc1ccccc1[C@H]1Nc2nonc2N=C2C[C@H](c3ccc(F)cc3)CC(O)=C21 102839048 JOYAOJMRORJKQS-RNODOKPDSA-N 406.417 4.846 0 40 HJAB O=C(COc1ccc2ccccc2c1Br)NCCSc1ccccc1 218901891 TZPJGUUTSSNKET-UHFFFAOYSA-N 416.340 4.890 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC)c(Br)c3)N21 222665916 UQRZEEXTNILNPM-JEBQAFNWSA-N 418.360 4.832 0 40 HJAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl 222730729 AYRSIOCBUMMQML-ROUUACIJSA-N 403.338 4.781 0 40 HJAB CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1 223046578 MSCRQDFCYKSJQM-XMMPIXPASA-N 420.940 4.616 0 40 HJAB Cc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)cc1Cl 223100006 RDUIDAZLGRHODR-UHFFFAOYSA-N 417.690 4.534 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1Cc1ccccc1 223378402 HKGGTLQMRHQATQ-XZOQPEGZSA-N 414.534 4.697 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 223685365 WWTGLTYXOSTJJL-XMMPIXPASA-N 408.586 4.960 0 40 HJAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 223746669 FNBTZKZMKMKYPD-HXUWFJFHSA-N 424.610 4.786 0 40 HJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)c1 224227225 CKMXNBVPEONVDI-DHIUTWEWSA-N 411.534 4.753 0 40 HJAB Cc1ccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)c(C)c1 224288249 PMYQBRWHJVZZFF-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1COc1ccc(C(C)(C)C)cc1 224526359 VZZVCNCTCUQQMU-UHFFFAOYSA-N 424.585 4.740 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 224641776 DZKFLGAASHHHNE-RUZDIDTESA-N 420.597 4.755 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)C)c1 225515349 GDOUZJWTOFDSNY-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCN3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225715202 GWWAIPLRLWPOJE-YOSAUDMPSA-N 402.579 4.721 0 40 HJAB Cc1cccc(C)c1NCC(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257204254 ATSCAKHIEYGRHO-UHFFFAOYSA-N 415.541 4.655 0 40 HJAB C=CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C(C)C)CC1 257300636 RVDGOTYHKPRPQQ-UHFFFAOYSA-N 418.581 4.772 0 40 HJAB O=Cc1cc(Br)c(Sc2nc3c(c(C(F)(F)F)n2)CCCC3)o1 408551921 JSADIJJVPRJDQG-UHFFFAOYSA-N 407.211 4.693 0 40 HJAB CCN1C(=O)S[C@@H](Cc2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C1=O 409145516 OBYQLEGRTFHFAW-KRWDZBQOSA-N 423.893 4.693 0 40 HJAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3cccc(Br)c3)n2C)cc1 409204892 DCVKATTYNMMDBC-VZCXRCSSSA-N 417.328 4.574 0 40 HJAB CCCN(CCC)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(CC)cc1 409217681 RKOWKPHVQVNBAE-UHFFFAOYSA-N 423.586 4.632 0 40 HJAB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O 409248855 RRPHTUYAQLPMFW-CXUHLZMHSA-N 409.244 4.624 0 40 HJAB CCn1c(SCc2ccc(F)cc2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 409348576 OVHMSHHNCRRNFO-LJQANCHMSA-N 412.534 4.857 0 40 HJAB CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccc(C)c2)CC1 585166508 WGUKBEONRDKBMS-UHFFFAOYSA-N 413.565 4.628 0 40 HJAB Cc1ccc(C2(C(=O)Nc3ccc(-c4ccccc4F)nn3)CCOCC2)cc1C 1586193307 RRQGEUSYXAWYKA-UHFFFAOYSA-N 405.473 4.586 0 40 HJAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(N2CCOCC2)cc1 955153 PCQLOAQEOMKPBH-UHFFFAOYSA-N 405.498 4.554 0 40 HJAB COc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)cc1OC 2206588 KRKLIWZQEHVWOL-SFHVURJKSA-N 413.477 4.635 0 40 HJAB CCOc1ccccc1-c1nc(-c2ccc(-c3ccc(OC)cc3)nc2OC)no1 2231171 JVUNEPWLERCFAM-UHFFFAOYSA-N 403.438 4.882 0 40 HJAB CCCSc1nc(N2CCN(CC)CC2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2367901 ZOPHNJIZOYNENH-NRFANRHFSA-N 420.648 4.577 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(c1cccc(C)n1)C3=O 2407187 WIZPXIOHDDWXPG-OAQYLSRUSA-N 400.409 4.694 0 40 HJAB CC(C)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2421076 KIWVVNZGWKXGME-PGRDOPGGSA-N 421.468 4.780 0 40 HJAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(F)c2)no1 2449089 RVSQUOHNLZUHTC-SFHVURJKSA-N 410.788 4.632 0 40 HJAB COc1ccc(-c2csc(NC(=O)COc3ccc(Br)cc3)n2)cc1 2694965 AHNLCLBHTCIECW-UHFFFAOYSA-N 419.300 4.599 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)s1 3203465 BMRFKGGTRYFDJS-UHFFFAOYSA-N 411.508 4.886 0 40 HJAB COc1ccccc1/C=C/C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 3229667 KZUSEDNFYJJJTP-RMKNXTFCSA-N 413.779 4.563 0 40 HJAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)c(Cl)cc12 3245589 XJDWDPHHRQPYNA-DEYYWGMASA-N 405.922 4.719 0 40 HJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CNc1cccc(C(C)=O)c1 3285192 NVHZMXVCKMNFSC-UHFFFAOYSA-N 422.506 4.845 0 40 HJAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)Nc1cccc(Br)c1 3294651 FYINYSPTNVGNMK-UHFFFAOYSA-N 420.278 4.582 0 40 HJAB O=C(OCC(=O)N1CCc2ccccc21)c1sc2cc(Cl)ccc2c1Cl 3336598 RBFUTXSLFGWFTR-UHFFFAOYSA-N 406.290 4.954 0 40 HJAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 3337004 FJKPOGOGJFNJNM-KONDSOJQSA-N 410.473 4.858 0 40 HJAB O=C(NCc1ccc(Cl)cc1Cl)c1cccc(I)c1 3603122 WBBBPDPEARWDHQ-UHFFFAOYSA-N 406.050 4.528 0 40 HJAB CC[C@H](C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 4240799 IKBCFGDPZMYFSH-AZUAARDMSA-N 414.571 4.548 0 40 HJAB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 4545100 WXVLCGHVEMCUBA-LHSJRXKWSA-N 418.518 4.946 0 40 HJAB COc1ccc(/C=C/C(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1OC 4570787 OFTJAWZEXJRJLZ-YRNVUSSQSA-N 408.523 4.508 0 40 HJAB Brc1ccc(OCc2nc(-c3ccc(Br)cc3)no2)cc1 4685160 VHALANNNELAXGX-UHFFFAOYSA-N 410.065 4.841 0 40 HJAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 5099398 YBHBQYSBEHJRCY-UHFFFAOYSA-N 406.507 4.992 0 40 HJAB O=C(COc1ccc(-c2nnco2)cc1)Nc1ccccc1Sc1ccccc1 5209305 WKYXINKMUNYZPY-UHFFFAOYSA-N 403.463 4.905 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccnc2)N1c1nc2ccccc2s1 5246609 SSPHXCUKEOYZQF-LJQANCHMSA-N 411.442 4.548 0 40 HJAB Cn1c(S[C@H](C(=O)N2CCCC2)c2ccccc2)nnc1-c1ccc(Cl)cc1 5472117 MVJKWADUFSPNCA-SFHVURJKSA-N 412.946 4.591 0 40 HJAB COc1cc(NC(=S)NC(=O)c2ccc3ccccc3c2)ccc1NC(=O)C(C)C 5944599 XHQSSTUWYOROLZ-UHFFFAOYSA-N 421.522 4.570 0 40 HJAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)C1 6051510 BDNMGFRLQRPHTJ-KRWDZBQOSA-N 422.912 4.971 0 40 HJAB C[C@H]1CCN(C(=O)CSc2nnc(-c3cccs3)o2)c2ccccc2S1 6462720 HPDQZVJLPMRPGC-LBPRGKRZSA-N 403.554 4.808 0 40 HJAB CC(C)COc1cccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 6563779 NSDDHAWYJFOLHI-UHFFFAOYSA-N 414.461 4.774 0 40 HJAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1nc2c(s1)CCCC2 6639222 UCSNXSKCKGILRG-IBGZPJMESA-N 405.523 4.522 0 40 HJAB COc1cccc(CN(C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)c1 6937202 RDKYIQXDMXFMCP-OZXSUGGESA-N 405.538 4.603 0 40 HJAB COc1ccc(C(=O)CN(C2=NCCCCC2)c2ccc(OC(F)F)cc2)cc1 7275413 XDKZYRGMWZGQMT-UHFFFAOYSA-N 402.441 4.958 0 40 HJAB Cc1ccc2nc(CSc3nnc(Nc4cccc(C)c4C)s3)cc(=O)n2c1 7742187 SJCOCIUZJYINIU-UHFFFAOYSA-N 409.540 4.507 0 40 HJAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1=O 7882353 GQPPSRFLNJVMSF-GOSISDBHSA-N 416.477 4.788 0 40 HJAB Cc1occc1-c1nnc(SCCCSc2nnc(-c3ccoc3C)o2)o1 8276984 HFLDKIKZAOHPOL-UHFFFAOYSA-N 404.473 4.864 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 8473826 MFQYZKHIYDUDAK-HNNXBMFYSA-N 411.914 4.764 0 40 HJAB Cc1ccccc1NC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1 8571371 WROSIILNJZNMDZ-HMMYKYKNSA-N 411.461 4.558 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)cc1 8818204 KBLCTPBNDWAFQQ-UHFFFAOYSA-N 404.491 4.613 0 40 HJAB CCc1nn2c(=O)c(Cc3ccc(Br)cc3)c(C)[nH]c2c1-c1ccccc1 9050470 MYUMPIFACYRSKL-UHFFFAOYSA-N 422.326 4.914 0 40 HJAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)c3ccc(C)c(C)c3)cc2c1 9184950 QIERNASBKRWVKX-UHFFFAOYSA-N 402.450 4.594 0 40 HJAB O=c1[nH]c(SC[C@H]2COc3ccccc3O2)nc2scc(-c3cccs3)c12 9389007 VGBJDHSMMVATBV-LLVKDONJSA-N 414.533 4.645 0 40 HJAB O=C(C[C@]1(O)C(=O)N(Cc2cccs2)c2ccccc21)c1cccc2ccccc12 9576833 DARRHCNRRBTYSH-RUZDIDTESA-N 413.498 4.909 0 40 HJAB Cc1nc(-c2ccc(CNC(=O)c3c[nH]c(=S)n3-c3ccccc3)s2)cs1 9920510 YAGDJYFXFVIPRX-UHFFFAOYSA-N 412.565 4.958 0 40 HJAB Cc1nnc(S[C@@H](C)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n1C1CC1 9954670 GGNRRBBBYGBHJF-AWEZNQCLSA-N 424.574 4.524 0 40 HJAB COc1ccc2c(c1)N[C@]1(COC3(CCN(CC4CCCC4)CC3)C1)c1cccn1-2 12120903 GBSVXIMGAAWNKB-RUZDIDTESA-N 407.558 4.552 0 40 HJAB CC(C)(C)c1ccccc1NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195683 AIUVWWRBZKULLK-UHFFFAOYSA-N 420.962 4.820 0 40 HJAB CCC(CC)C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12241877 LTTIOLKCDZJILR-UHFFFAOYSA-N 411.571 4.898 0 40 HJAB CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1ccc2c(c1)OCCCO2 12749595 CCZIMTVVAKDYSA-QKKBWIMNSA-N 404.457 4.884 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12976466 NSDLREZIKZQQAZ-SJAGGWKPSA-N 404.913 4.625 0 40 HJAB COc1ccc(NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)cc1Cl 13010411 BUFJGGFCFOGWJJ-UHFFFAOYSA-N 412.902 4.764 0 40 HJAB CCCCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CC1=O 14095100 LXGLHFMJJJVUIE-QGZVFWFLSA-N 411.933 4.885 0 40 HJAB O=C(CNC(=O)c1ccc(COc2ccccc2)o1)Nc1cc(Cl)ccc1Cl 15477875 KJWHTPBMRXFQOD-UHFFFAOYSA-N 419.264 4.534 0 40 HJAB O=C(N[C@@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1)c1cccc(F)c1 19348873 DANQPOBSUIBBIM-XMMPIXPASA-N 421.491 4.743 0 40 HJAB CC(=O)Nc1s/c(=N\c2ccccc2)n(C[C@H]2CCCO2)c1-c1ccc(C)cc1 19898436 FQNHWKWDRRPJAR-KHUIZHDGSA-N 407.539 4.895 0 40 HJAB Cc1cc(C)cc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 19947234 ZPDCLLJYPOLGEV-UHFFFAOYSA-N 424.522 4.500 0 40 HJAB COc1ccc(OC[C@@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 20456273 DHFHGUJDYUQNIQ-CYBMUJFWSA-N 414.354 4.819 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 20462484 WWVYYYWBCPEUER-LJQANCHMSA-N 422.550 4.904 0 40 HJAB CCOc1ccc(C(=O)NCc2cc(-c3cc4ccccc4o3)on2)cc1OCC 22768687 GNOJHCHCHSCUDW-UHFFFAOYSA-N 406.438 4.815 0 40 HJAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N[C@H]3CCOc4ccccc43)c2C)cc1 24764422 HSWAOBJNKRIWDG-OTOIZHKDSA-N 401.510 4.510 0 40 HJAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccccc3-c3cccs3)c2C)n1 24877557 HUOBRXPFNHKAHW-UHFFFAOYSA-N 417.538 4.806 0 40 HJAB O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 27400021 BQWDEHRNIASEES-FQEVSTJZSA-N 423.490 4.777 0 40 HJAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)Cn1c(C(F)(F)F)nc2ccccc21 28297127 WELWGTPZBZWURM-INIZCTEOSA-N 401.432 4.996 0 40 HJAB O=C(NCc1ccnc(N2CCCC2)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 30012630 XGBUVIIHBUPZAO-UHFFFAOYSA-N 424.504 4.934 0 40 HJAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1cnn2c(C)cc(C)nc12 32412965 LLAOLSFDMMMHFY-UHFFFAOYSA-N 402.498 4.560 0 40 HJAB Cc1sc2ncnc(N3CCC(C(=O)Nc4cnc5ccccc5c4)CC3)c2c1C 32900709 AZIKTZPKEAOMPF-UHFFFAOYSA-N 417.538 4.711 0 40 HJAB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)c(OC)c1 35043404 VDTMVRQHRKARBA-CXUHLZMHSA-N 419.300 4.549 0 40 HJAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)N[C@@H](C)c3ccc(C(C)C)cc3)c12 36619428 HNTCKOVWEXHBRN-AWEZNQCLSA-N 403.486 4.546 0 40 HJAB COC(=O)CC[C@@H](C)[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[C@H]3O 39428010 GRQROVWZGGDYSW-WKMGUUQUSA-N 406.607 4.566 0 40 HJAB CCCCOc1ccc(C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1 43983588 MAXQIMNZTSVLNT-UHFFFAOYSA-N 410.514 4.506 0 40 HJAB CCc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 58115763 ZNCROQYXLYOXTJ-OAHLLOKOSA-N 414.552 4.602 0 40 HJAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(Br)cc1 59284115 VIPGHYVRXDOVGS-UHFFFAOYSA-N 409.283 4.631 0 40 HJAB COc1ccc([C@H](CC(=O)NCc2ccco2)c2c[nH]c3cccc(OC)c23)cc1 85877596 RVUWJKIBIBMFNE-IBGZPJMESA-N 404.466 4.617 0 40 HJAB biogenic CCN(Cc1ccccc1)C(=O)c1ccnn1-c1ccc2ccc(-c3ccncc3)cn12 96155271 DITAFEMTNVKDAJ-UHFFFAOYSA-N 421.504 4.849 0 40 HJAB CC(C)(C)[C@H]1CC(c2ccc(Br)cc2)=NN1S(=O)(=O)c1ccccc1 97105786 NWLXELXEPOIXHI-GOSISDBHSA-N 421.360 4.663 0 40 HJAB O=C1[C@H](c2cc(Cl)ccc2Cl)C(=S)N2Cc3[nH]c4ccccc4c3C[C@H]12 101646690 QUVBREBSNOMYTL-MSOLQXFVSA-N 401.318 4.895 0 40 HJAB C[C@@H](NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1)[C@@H]1C[C@H]2CC[C@H]1C2 103481514 NTLPCEUJAMSPQJ-UHXUPSOCSA-N 411.395 4.970 0 40 HJAB C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1 107971997 RYFOPTZFOXRHCJ-HJPURHCSSA-N 406.507 4.545 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](N5CCCCC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 118918645 QZQARKHEFRUGSK-MSCMAPCGSA-N 415.618 4.994 0 40 HJAB Cc1cccc(CN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 222746956 SAUJQCYJGOCUTI-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C 223892255 MQAPBZOFCWKZBT-PKTZIBPZSA-N 419.598 4.763 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1cccc(CN2CCCCC2)c1 224682704 ABNVFDUVPHMBMG-NRFANRHFSA-N 400.950 4.800 0 40 HJAB O=C(O)[C@H](Cc1ccc(I)cc1)Sc1ccc(Cl)cc1 225069428 JEEHZTOZTFEXOW-AWEZNQCLSA-N 418.683 4.733 0 40 HJAB COc1ccc2c(c1)[C@H]1OCC3(CCN(Cc4cscn4)CC3)C[C@@H]1C(C)(C)O2 257201729 AIUSILWPVZXHHS-PZJWPPBQSA-N 414.571 4.683 0 40 HJAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCC3CCN(C)CC3)c1O)OC2(C)C 257297865 RJCMJBGOIAVTPF-NSISKUIASA-N 414.590 4.545 0 40 HJAB O=C(N1CCOC[C@H](Cc2cccc3ncccc23)C1)C1(c2ccccc2)CCCC1 257335085 YIPWMNXPDBISGU-OAQYLSRUSA-N 414.549 4.764 0 40 HJAB O=C(NC1CCCCCC1)c1nc(-c2ccn(Cc3ccccn3)c2)n2ccccc12 306134925 OBVFYRZTGMRXCI-UHFFFAOYSA-N 413.525 4.699 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC(C)C)ccc2Cl)c(C)c1 408549331 XNLYORZFNPUIMF-UHFFFAOYSA-N 408.951 4.534 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2cccc(Cl)c2)cc1 408698354 MSMUBZUZQBNFPZ-UHFFFAOYSA-N 404.857 4.849 0 40 HJAB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 408826809 TTXIXDXDAPTDSM-SXGWCWSVSA-N 407.850 4.733 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)CCc3ccccc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409362613 SCGXGZJWPMHRQW-LZJOCLMNSA-N 410.480 4.921 0 40 HJAB C[C@@]1(O)CCN(CC2CCCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 514290088 YLKBOFBXINKTRO-WPFOTENUSA-N 412.599 4.625 0 40 HJAB biogenic,in-vitro Cc1cc(C)n([C@@H](CNC(=O)C2c3ccccc3Oc3ccccc32)c2ccco2)n1 575613159 FNXFNBJLASGZOT-FQEVSTJZSA-N 413.477 4.736 0 40 HJAB C[C@@H](Sc1nnc(-c2ccncc2)n1C)c1cccc(NC(=O)c2ccccc2)c1 613901867 PWXIKLXTTNVJHE-MRXNPFEDSA-N 415.522 4.983 0 40 HJAB C[C@@H]1COc2ccccc2CCCCC2(CCN(Cc3ccccc3F)CC2)C(=O)N1 643567290 XZTKQWLPHRSZDB-HXUWFJFHSA-N 424.560 4.718 0 40 HJAB Cc1ccc(CNC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 646557 CJLALKPLNVEMCN-UHFFFAOYSA-N 423.485 4.941 0 40 HJAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc(Cl)cc1 907242 LDHYYMOZZLCBIO-UHFFFAOYSA-N 421.913 4.714 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccccc1F 1017022 KICCENITUMSFMA-SECBINFHSA-N 417.072 4.757 0 40 HJAB CSc1nc(NCCCO)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 2366392 VPMXVZPMUNXUOO-UHFFFAOYSA-N 422.579 4.911 0 40 HJAB Cc1cc(C)c(C(=O)CSc2nc(COc3ccc(Cl)cc3)n[nH]2)cc1C 2634043 UFGLTDLQOOTQQK-UHFFFAOYSA-N 401.919 4.937 0 40 HJAB Cc1cccc(-n2nnnc2SCC(=O)N(C2CCCCC2)C2CCCCC2)c1 2646683 MOEKWZAVVXQVHT-UHFFFAOYSA-N 413.591 4.557 0 40 HJAB O=C1CS[C@H](c2nn(-c3ccccc3)cc2-c2ccccc2)N1Cc1ccco1 3165893 FFNBDJSCCINUMW-HSZRJFAPSA-N 401.491 4.907 0 40 HJAB COc1ccc(NC(=O)c2ccc(NC(=O)CC3(CC(=O)O)CCCCC3)cc2)cc1 3310602 JSANVYXYPJWFFB-UHFFFAOYSA-N 424.497 4.701 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)cc1 3352027 UBQDEJWMGFABKH-UHFFFAOYSA-N 404.466 4.527 0 40 HJAB Cc1cc(Cl)ccc1OCCCC(=O)N(C)CC(=O)Nc1c(C)cccc1C 3421352 ADGALFKLSDDEFH-UHFFFAOYSA-N 402.922 4.521 0 40 HJAB C[C@H](c1nnc(SCCOc2ccc(Cl)cc2)n1-c1ccc(F)cc1)N(C)C 4490719 LFVHUCWIVZEFTN-CQSZACIVSA-N 420.941 4.854 0 40 HJAB CCCCCCn1c(CCCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 5235264 RYGBHXRQIQQWHT-UHFFFAOYSA-N 423.557 4.996 0 40 HJAB Cc1nn(-c2ccccc2)c2ncc(C(=O)N3CCc4ccccc4C3)c(Cl)c12 5313682 GMFMEWTXNGPPFJ-UHFFFAOYSA-N 402.885 4.581 0 40 HJAB CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cc(C)cc(C)c1)S2 6812236 QKDJANPJJILPFJ-NHCUHLMSSA-N 421.570 4.554 0 40 HJAB C[C@@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 6983106 MZOBNCSEHVOXIE-CYBMUJFWSA-N 421.526 4.559 0 40 HJAB O=C(Nc1ccccc1)C1CCN(Cc2c(-c3ccccc3)nc3ccccn23)CC1 7001069 PGLSJQLZKLWKJJ-UHFFFAOYSA-N 410.521 4.852 0 40 HJAB COc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)[nH]2)C(=O)O)ccc1C 7603300 SNRBNNIMBMMVTI-YBEGLDIGSA-N 401.875 4.660 0 40 HJAB CN(Cc1nc2ccccc2s1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1 8069641 ZGTQWFSNGLEOMZ-UHFFFAOYSA-N 416.502 4.565 0 40 HJAB COc1ccc(-c2nc3cc(NC(=O)COc4ccccc4C)ccc3o2)cc1OC 8903939 RBWYPITXNNMEGW-UHFFFAOYSA-N 418.449 4.838 0 40 HJAB COc1ccc(CN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C2CC2)cc1 9975986 KWTBNNFARPMHGC-UHFFFAOYSA-N 403.404 4.929 0 40 HJAB O=C(COc1ccc(Cl)cc1)n1nc(-c2ccccc2)nc1NCc1cccs1 10076636 QNJRWTHXVWKFSA-UHFFFAOYSA-N 424.913 4.991 0 40 HJAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O 10357109 LCVLBGKQPGJKCM-HNNXBMFYSA-N 408.951 4.565 0 40 HJAB CC(C)[C@@H](NC(=O)NCc1ccc(OC(F)F)cc1)c1ccc2c(c1)OCCCO2 12779718 OAGRLVGEQRXXBA-HXUWFJFHSA-N 420.456 4.646 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(F)c(F)c1)CC2 13011564 WWXUKMBBLPHCFY-QHCPKHFHSA-N 409.432 4.770 0 40 HJAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCC[C@@H](C)C5)C4=O)cc3)sc2c1 13136678 KZHWHWUVOWMIFU-OXQOHEQNSA-N 419.550 4.636 0 40 HJAB C[C@H](NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc(Cl)cc1 13148956 SYZIJBJRJSLCMR-INIZCTEOSA-N 421.880 4.605 0 40 HJAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cc(F)ccc1F 14503664 XNELFVJIACKZEH-UHFFFAOYSA-N 403.432 4.807 0 40 HJAB C[C@H]1Sc2ccc(C(=O)Nc3nc(-c4cc(F)ccc4F)cs3)cc2NC1=O 14706999 WHVMYNRDTTXBHJ-SECBINFHSA-N 417.462 4.773 0 40 HJAB Cc1ccc(-c2csc3c(=O)n(C)c(SCC(=O)Nc4ccccc4)nc23)cc1 16846048 BDAYREDXSTVEGJ-UHFFFAOYSA-N 421.547 4.701 0 40 HJAB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc3ccccc3[nH]2)c1 17303945 WTJHVPQBBMYMBJ-UHFFFAOYSA-N 409.449 4.677 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2)Cc2nc(C)ncc2-c2ccncc2)cc1 19209192 KCCGTFKVVPSUEB-UHFFFAOYSA-N 422.532 4.927 0 40 HJAB Cc1nc(-c2cccnc2)sc1C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 19561077 PZPDVXLZHDMHTG-MRXNPFEDSA-N 411.502 4.584 0 40 HJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CCC2 19819163 WTCHLUWRSBBUFL-UHFFFAOYSA-N 405.885 4.509 0 40 HJAB CCSc1ccccc1NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 20107605 NRQYBXZPKRICDO-UHFFFAOYSA-N 420.600 4.600 0 40 HJAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)[C@H]3COc4ccccc4O3)c2)cc1 20110318 BXDWFNAHLQYJBU-HSZRJFAPSA-N 415.489 4.994 0 40 HJAB Oc1c([C@@H](c2ccccc2Cl)N2CCCCC2)sc2nc(-c3ccco3)nn12 22851835 IETRHWAFRQTCNZ-MRXNPFEDSA-N 414.918 4.985 0 40 HJAB O=S(=O)(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccccc1C(F)(F)F 23024609 JUNHYEWXDQBDSN-QGZVFWFLSA-N 415.433 4.974 0 40 HJAB O=S(=O)(Nc1ccccc1-c1nnc2n1CCCCC2)c1ccc2ccccc2c1 23370930 WFBKWRDFXIRKKP-UHFFFAOYSA-N 418.522 4.626 0 40 HJAB CSc1cccc(NC(=O)CSCCOc2cccc(Br)c2)c1 24066720 UXFHUWGPRKQNQQ-UHFFFAOYSA-N 412.374 4.922 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1 27396764 RDRSJFMMYAAHMX-QHCPKHFHSA-N 406.482 4.856 0 40 HJAB Cc1cc2oc(C(=O)NC[C@H](c3ccccc3)N3CCCCC3)cc(=O)c2cc1Cl 28292590 OCBPNGIZRZNNJU-HXUWFJFHSA-N 424.928 4.712 0 40 HJAB O=C(NCc1ccccc1CN1CCCC1)c1cc(-c2ccccn2)nc2ccccc12 30555845 GDJCATLEKMFNMS-UHFFFAOYSA-N 422.532 4.823 0 40 HJAB Cc1cc2n(CC(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)c3ccccc3n2n1 32836399 DKPPMONWPIZPQU-UHFFFAOYSA-N 416.525 4.843 0 40 HJAB C[C@H](NC(=O)c1ccc(NC(=O)c2ccccn2)cc1)C12CC3CC(CC(C3)C1)C2 32932299 AKGNGIJAYXSNLA-DUXBZUBYSA-N 403.526 4.669 0 40 HJAB CC(=O)c1ccc(-c2ccc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)o2)cc1 32983800 ZQRRNRGAMZBZMU-QFIPXVFZSA-N 402.494 4.716 0 40 HJAB COC(=O)c1cc(-c2cccc(OC(F)F)c2)nc2cc(-c3ccc(F)cc3)nn12 36615733 OUIDTOYJBKOXAQ-UHFFFAOYSA-N 413.355 4.590 0 40 HJAB CCCCN(C(=O)c1cnc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)cc1 40146266 VITRHARUCPGESA-UHFFFAOYSA-N 408.329 4.672 0 40 HJAB C[C@@H]1CCC[C@H](n2ccc3c(nnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)[C@@H]1C 40392413 HLOYQJFECJUBSL-LBTNJELSSA-N 407.905 4.757 0 40 HJAB COc1ccc(-n2c(SCc3ccc(F)cc3F)nc3ccccc3c2=O)cc1 67258873 LINOHSQRQJORMO-UHFFFAOYSA-N 410.445 4.965 0 40 HJAB Cn1ncc2c1CCC[C@@H]2NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 70012816 DPIAAIPVIGMKSL-ZDUSSCGKSA-N 406.330 4.657 0 40 HJAB COc1nc(N2CCC[C@@H]2c2cccs2)nc(N2CCC[C@@H]2c2cccs2)n1 78998637 KBRXTAJMGGQRHL-HUUCEWRRSA-N 413.572 4.686 0 40 HJAB Cn1c(COc2ccc(Br)cc2Br)nnc1-c1ccccc1 95431101 POUMLPNRNYVCJJ-UHFFFAOYSA-N 423.108 4.586 0 40 HJAB Cc1ccc(NC(=O)/C=C\c2cccc(F)c2)cc1NS(=O)(=O)c1ccccc1 98007635 HLUIKBZRIBIPAT-QBFSEMIESA-N 410.470 4.587 0 40 HJAB COc1ccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccc(F)cc4)CC(O)=C32)cc1 102838099 YERFZHHSRYRNCF-VLIAUNLRSA-N 406.417 4.846 0 40 HJAB CCOc1ccc(Br)cc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222585759 OADJETGXLHCHPK-IGNZVWTISA-N 418.360 4.832 0 40 HJAB O=C(CSCc1ccccc1F)NCCSCc1c(F)cccc1Cl 222700426 GMUVICONYPORPG-UHFFFAOYSA-N 401.931 4.901 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 223034931 YIDBKVBCRNQNFW-LJQANCHMSA-N 413.905 4.823 0 40 HJAB CC[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 223081211 OLHVAWOGGVYCAN-HXUWFJFHSA-N 402.332 4.974 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1c1ccccc1 224160224 ITZTXFDNNVSTLZ-FCHUYYIVSA-N 400.507 4.702 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 224225890 RZCDQQVUNQXMMG-HXUWFJFHSA-N 418.990 4.684 0 40 HJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)s2)c(OC)c1 224794661 QEWRLNWFGXJSLH-PMACEKPBSA-N 411.552 4.646 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 225162302 ZEBQOSHNYAHLOC-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1C 225173447 VYDZOQXVWNHDGJ-FGZHOGPDSA-N 419.554 4.552 0 40 HJAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(=O)N4CCCC4)cc3)CCCCC2)cc1 225542072 VHDHSHOGBRQUGH-UHFFFAOYSA-N 420.553 4.837 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 225544942 WRVBLVDAJPZHPK-QPPBQGQZSA-N 408.586 4.876 0 40 HJAB Cc1ccc(CNC(=S)Nc2nc(N3CCC(C)CC3)cc(C(F)(F)F)n2)cc1 225946233 HXVFCFNTILIBRF-UHFFFAOYSA-N 423.508 4.527 0 40 HJAB COc1cc(/C=C/C(N)=O)cc(Br)c1OCc1cccc2ccccc12 226337874 BNIVGKCZPWZNSH-MDZDMXLPSA-N 412.283 4.688 0 40 HJAB Cc1noc(=O)c(C)c1-c1ccc(Cl)c(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 245227690 TXBSBCNPDJIUMG-DYWXZXKOSA-N 400.906 4.527 0 40 HJAB COc1ccc(C(=O)Oc2ccc(-c3cc(C)ccc3C)nn2)cc1Br 408527678 GXXFTQUYORDMHL-UHFFFAOYSA-N 413.271 4.751 0 40 HJAB Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)c(C)c1 408585553 ZOTHALCBLMWRIY-UHFFFAOYSA-N 415.559 4.821 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3)n2)cc1 408695081 OQHZGHUMKSRHGK-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB C[C@H](NC(=O)c1ccccc1NC(=O)CCCOc1ccccc1)c1ccccc1 408705909 QDONNMDDCDQFBT-IBGZPJMESA-N 402.494 4.975 0 40 HJAB CN(Cc1cc(C[C@@H]2C[C@H](NC(=O)c3cccs3)C2(C)C)no1)c1ccccc1 1772594436 ZBFXLZCXDZIUKO-IERDGZPVSA-N 409.555 4.760 0 40 HJAB O=S(=O)(c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1)N1CCCC1 702538 NELYDUSGBSYHQW-UHFFFAOYSA-N 404.944 4.915 0 40 HJAB Cc1ccccc1NC(=O)Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O 794493 OCWDBZYMCZAAPD-UHFFFAOYSA-N 403.869 4.664 0 40 HJAB CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3ccc(OCC)cc23)cc1 953685 SZFLZEUKTMZAKE-UHFFFAOYSA-N 408.454 4.731 0 40 HJAB CC1(C)Oc2ccc(C(=O)NC3CCCCC3)cc2N(Cc2ccc(F)cc2)C1=O 1342341 AQPZMTBJIHWKKJ-UHFFFAOYSA-N 410.489 4.592 0 40 HJAB Cc1cc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)no1 1378851 YDNOFJHPILBPHP-UHFFFAOYSA-N 402.545 4.721 0 40 HJAB aggregator CCN(CC)C(=S)Oc1ccc(C(=O)Nc2cccc(Br)c2)cc1 1445245 YPTKTXZLYKOQAK-UHFFFAOYSA-N 407.333 4.707 0 40 HJAB Cc1cc(N2CCN(C3CCCCC3)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 2435380 PXKIXLCFYKGQDI-UHFFFAOYSA-N 409.965 4.813 0 40 HJAB C[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2633536 HKVKOSKHGIQYNX-QMMMGPOBSA-N 407.175 4.591 0 40 HJAB Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc(F)c(F)c1F 2644233 JOFWCDSIOPYQRS-UHFFFAOYSA-N 408.601 4.846 0 40 HJAB COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 2723155 BCCHGIHYAPXHJZ-UHFFFAOYSA-N 408.310 4.919 0 40 HJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(=O)n(Cc2ccc(F)c(F)c2)c1 3134446 CCEMARDBQSFOIG-UHFFFAOYSA-N 409.219 4.734 0 40 HJAB Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(C=O)cc2)c2ccccc2)cc1Cl 3283447 ZYTKCPPYDSQBFJ-NRFANRHFSA-N 407.853 4.998 0 40 HJAB COc1cccc(NC(=O)[C@@H](OC(=O)/C=C/c2ccc(C)cc2)c2ccccc2)c1 3283967 LYIFVHPRNSYUIB-QDEBQFNMSA-N 401.462 4.940 0 40 HJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)c1C 3289485 GCWJOEAQUVPYBT-UHFFFAOYSA-N 414.408 4.503 0 40 HJAB CN(Cc1cccc(F)c1)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 3431387 PACDZHLXKMTNLL-HSZRJFAPSA-N 415.455 4.703 0 40 HJAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 4248694 OXHGOJZXBVMSEY-UHFFFAOYSA-N 417.918 4.582 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)cc1 4835579 MLSJASNERBCZKW-UHFFFAOYSA-N 412.540 4.832 0 40 HJAB CCN(CC)P(=NC(=O)C(Cl)(Cl)Cl)(N(CC)CC)N(CC)CC 5194468 BICJCPQUVLZVQY-UHFFFAOYSA-N 407.754 4.855 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)[nH]2)cc1 6154519 SMNPEFGXYBLQQX-UHFFFAOYSA-N 409.298 4.518 0 40 HJAB O=C(CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)NCCC1=CCCCC1 6229949 ULKUGXIMFVUCPB-RUZDIDTESA-N 413.521 4.720 0 40 HJAB Cc1cc(C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CC[C@H](C)C3)c(C)o1 6527762 HOCSLODJBTZXDN-ZDUSSCGKSA-N 400.544 4.961 0 40 HJAB O=C(Nc1ccnn1Cc1ccco1)c1cccnc1Sc1ccc(Cl)cc1 6651430 RYNSUGZBJMKYGY-UHFFFAOYSA-N 410.886 4.976 0 40 HJAB Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)cs2)c(C)c1 6681138 ZRVLWNXCNIDQBC-UHFFFAOYSA-N 414.552 4.751 0 40 HJAB C[C@H](Sc1nnc(C2CC2)o1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 7242392 SJJYTCTUQWODSL-QMMMGPOBSA-N 402.526 4.827 0 40 HJAB CCCn1nnnc1CSc1nnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 7481645 FXCHDTDDTCWBQN-UHFFFAOYSA-N 417.542 4.511 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2Cl)c1 7717218 HIDIHJCYNFVOPA-GOSISDBHSA-N 409.313 4.786 0 40 HJAB Cn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nc2ccccc21 7901351 IGEPARDXIRDCKM-UHFFFAOYSA-N 409.511 4.736 0 40 HJAB Cc1ccccc1N1CCN(C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)CC1 8094927 HXMJOMIWLVVXRT-UHFFFAOYSA-N 412.533 4.974 0 40 HJAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(Br)c1 8266822 FYCSVZKAIMTRLU-UHFFFAOYSA-N 419.363 4.500 0 40 HJAB CN(Cc1ccccc1N1CCCCC1)C(=O)/C=C/c1c(Cl)nc2ccccn12 8429280 MTVRXTZQHJXGEQ-OUKQBFOZSA-N 408.933 4.650 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1ccncc1 8642677 FUQDNGQBOMSPKW-HXUWFJFHSA-N 402.837 4.587 0 40 HJAB Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCc1ccccc1 8771783 WIQUCWGVQXLWTP-UHFFFAOYSA-N 400.891 4.679 0 40 HJAB COc1cc(CSc2nc(CC(=O)NCC3CCCCC3)cs2)cc(OC)c1 8853814 NXFQACIWJSWAHT-UHFFFAOYSA-N 420.600 4.692 0 40 HJAB CCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2c(F)cccc2F)cc1 9226188 DZWKLQWFGZQTKL-UHFFFAOYSA-N 410.420 4.546 0 40 HJAB CCOC(=O)c1c(C(=O)CSCc2cc(F)ccc2OC)c(C)n(CC)c1C 9449181 NZKGTEHHJOVPBX-UHFFFAOYSA-N 407.507 4.565 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 9549699 MXUMXNONTJOWIA-INIZCTEOSA-N 416.481 4.547 0 40 HJAB Cc1nc2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)cc2s1 9714731 SNRMMJBCHRFGBB-UHFFFAOYSA-N 423.519 4.658 0 40 HJAB COc1ccccc1CN1CCC[C@H]([C@@H](NC(=O)c2ccccc2)c2nccs2)C1 12183399 MHLJWTHDLJMNJQ-RBBKRZOGSA-N 421.566 4.535 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cs1)C1CC1 12237284 UJJMQUGJBDINEO-UHFFFAOYSA-N 421.497 4.891 0 40 HJAB CC(=O)NC1(c2ccccc2F)CCN(Cc2c(C)[nH]c3ccc(Cl)cc23)CC1 12330702 RXTQHQQFKWTSJB-UHFFFAOYSA-N 413.924 4.896 0 40 HJAB O=C1CCCN1c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1Cl 12759995 CCXDYXCFDAGVLZ-UHFFFAOYSA-N 419.717 4.574 0 40 HJAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cccnc1Sc1ccccc1 12762103 REXCLWRNBQOWOA-UHFFFAOYSA-N 403.507 4.511 0 40 HJAB CCc1ccc(NC(=O)CSC2=N[C@H](C(F)(F)F)C[C@H](c3ccccc3)N2)cc1 12848180 PQUAZNYYMOYQGO-MSOLQXFVSA-N 421.488 4.942 0 40 HJAB C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)n1nc(-c2cccs2)c2ccccc2c1=O 12925275 XQDDQYRKNPTRQD-HNNXBMFYSA-N 415.518 4.813 0 40 HJAB CCOc1cc(Br)c(COc2ccc(-c3nnco3)cc2)cc1OCC 13112366 XYDDGLDKBJLUNW-UHFFFAOYSA-N 419.275 4.876 0 40 HJAB CCc1ccc2c(c1)cc(CN(C(=S)Nc1cccc(C)c1)C1CC1)c1nnnn12 13477620 VBZAXIFKWQVMOM-UHFFFAOYSA-N 416.554 4.510 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4ccc(F)cc4)ccc32)cc1 13583678 BLNOLTWBKVLPID-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB Cc1cccc([C@H]2CC(=O)c3nnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)c1 14164752 GLJGRMLLBYPPEI-QGZVFWFLSA-N 402.885 4.974 0 40 HJAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc3ccccc23)c1 14429023 UYICBUXLUSZCDU-UHFFFAOYSA-N 416.502 4.917 0 40 HJAB CC(=O)c1cccc(-n2c3c(c(SCc4ccccc4Cl)nc2=O)CCC3)c1 15840531 OFJKBRVYPJCNGM-UHFFFAOYSA-N 410.926 4.870 0 40 HJAB COc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c(OC)c1 16284458 APSNBJQLHLYRLL-UHFFFAOYSA-N 422.872 4.652 0 40 HJAB CCOc1ccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)cc1 17308014 OIMAYUQUDMMWMP-UHFFFAOYSA-N 414.513 4.948 0 40 HJAB Cc1ccc2c(COC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)cc(=O)oc2c1 18026340 MZWPYMKTLCMJHH-UHFFFAOYSA-N 409.438 4.805 0 40 HJAB COc1ccccc1CN1CCC(c2noc3nc(C)cc(C(F)(F)F)c23)CC1 19569127 QBTXVYFBVYPPME-UHFFFAOYSA-N 405.420 4.938 0 40 HJAB Cc1nc(C2CCN(CCCc3ccccc3)CC2)ncc1C(=O)Nc1ccccc1 19764239 CFESLVGXARBDOU-UHFFFAOYSA-N 414.553 4.850 0 40 HJAB COc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1OC 20903916 OHMZVYJZAPHBFU-UHFFFAOYSA-N 420.296 4.816 0 40 HJAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)CCCOc1ccc(C(C)(C)C)cc1 24836019 UMEDLZFJOVQYNY-UTKZUKDTSA-N 408.542 4.537 0 40 HJAB Cc1cc(C(=O)N[C@@H](C)c2cccc(Br)c2)c(C)n1Cc1ccco1 30466484 ZDCPKPHTPFBHJP-AWEZNQCLSA-N 401.304 5.000 0 40 HJAB C[C@@H](C(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1)n1cccn1 31612679 CNNFRTDOLMJPLE-LBPRGKRZSA-N 403.269 4.642 0 40 HJAB CCN(C(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 32879880 TXYCKWYAYGQYKI-UHFFFAOYSA-N 404.432 4.611 0 40 HJAB C[C@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1ccc(-n2ccnc2)cc1 32907398 FVVWPUWBSZNVQK-INIZCTEOSA-N 416.506 4.677 0 40 HJAB Cn1c([C@@H]2COc3ccccc3O2)nn(CN[C@H](c2ccccc2)C(C)(C)C)c1=S 32911742 LEMANTQCYJGWGZ-VQTJNVASSA-N 424.570 4.798 0 40 HJAB Cn1c([C@H](C#N)C(=O)COc2cc(Cl)c(Cl)cc2Cl)nc2ccccc21 33714926 NIQSACSCFJOQPP-SNVBAGLBSA-N 408.672 4.789 0 40 HJAB O=C(Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O)Nc1cccc(Cl)c1 38486518 BZDGNYKTZBBPKH-UHFFFAOYSA-N 413.861 4.556 0 40 HJAB Cc1c(NC(=O)/C=C/c2ccccc2)cccc1C(=O)N1CCc2sccc2C1 40051543 DKIAKLHYKUXHJH-ZHACJKMWSA-N 402.519 4.907 0 40 HJAB COc1cc(Cl)ccc1C(=O)OCc1nc(-c2ccc(Br)cc2)no1 44836536 HPLLVNRGVITKGN-UHFFFAOYSA-N 423.650 4.518 0 40 HJAB CCc1cccc(C)c1NC(=O)Cn1ccc2ccn(Cc3cccc(C)c3)c2c1=O 62007341 QFMFBKLIMVEWER-UHFFFAOYSA-N 413.521 4.669 0 40 HJAB C[C@H](NC(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C12CCC(CC1)CC2 67319205 SWPQZQRWCXFGOP-ONSGGECDSA-N 410.558 4.708 0 40 HJAB Cc1cccc(Cl)c1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCC(C)CC2 71327921 VEILTTDUYNPKSI-UHFFFAOYSA-N 423.944 4.825 0 40 HJAB CC(C)CCN(CCC(C)C)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 72271147 UAQATXKOGHAZBW-UHFFFAOYSA-N 408.533 4.738 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 102723847 MUTCSHDRYWFKDV-UBFVSLLYSA-N 420.468 4.891 0 40 HJAB C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N1[C@@H](C)CCC[C@H]1C 103268227 LSECTTZCWRMBDU-AXFHLTTASA-N 420.888 4.672 0 40 HJAB C[C@H]1[C@H](CCC(=O)O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 118936256 WEBIGGMMPNOWDP-KGMGHHKFSA-N 404.591 4.884 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccc(C)cc1 222889707 HWOSCNSRVNYRRQ-KRWDZBQOSA-N 418.990 4.684 0 40 HJAB Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223356454 KBVGLQMBPINUDM-VXKWHMMOSA-N 418.497 4.777 0 40 HJAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223476491 UBUHSBYBHIKCGG-VWLOTQADSA-N 418.512 4.930 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccccc3C)c2)cc1 223959377 FGBIDAAIYRFPPE-GOSISDBHSA-N 408.523 4.595 0 40 HJAB Cc1cc(Cl)cnc1NC(=S)NCC1(c2ccc(Cl)cc2)CCOCC1 224016661 ZJYUXBMOSTZJNM-UHFFFAOYSA-N 410.370 4.732 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1c1ccccc1 224159188 VCSVSPFDXZZDBX-PKTZIBPZSA-N 411.534 4.504 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 224394913 XZVASTNXKTVPPM-DEOSSOPVSA-N 424.560 4.851 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 224515721 ZVBGNACRAMWKLV-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCSCc2ccc(F)cc2)c1 225615932 TXNVXFOQNIFWKH-UHFFFAOYSA-N 420.575 4.921 0 40 HJAB CC[C@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(OC)c(C)c1 225831663 OGHYVRCZJDMRJX-KRWDZBQOSA-N 402.343 4.881 0 40 HJAB COc1c(C)cccc1C(=O)N1CC[C@@H](c2cc(Nc3nccs3)cc(C)n2)C1 257334336 YFLRYUQJWSYLPT-MRXNPFEDSA-N 408.527 4.537 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCN3CCCC[C@H]3C)cc2)CCC[C@H](C)C1 260812493 DFNLXPQWIMXCRU-DCLXLUIPSA-N 402.579 4.864 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCN3CCC[C@@H](C)C3)cc2)CCC[C@H](C)C1 260812572 GWWAIPLRLWPOJE-DCLXLUIPSA-N 402.579 4.721 0 40 HJAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C1=O 408603611 SAPKGUQCPINBAQ-LICLKQGHSA-N 421.421 4.604 0 40 HJAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3nc(-c4ccc5ccccc5n4)n[nH]3)o2)cc1 647772401 UBBXAZYRCGPCRN-UHFFFAOYSA-N 423.432 4.735 0 40 HJAB CCOc1ccc(-n2cnc3scc(-c4ccc(OC)c(OC)c4)c3c2=O)cc1 798313 WBULLTREOWGOIJ-UHFFFAOYSA-N 408.479 4.530 0 40 HJAB COc1ccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)cc1OC 815231 BBPLFBBSYJQJQP-UHFFFAOYSA-N 424.407 4.603 0 40 HJAB CCN(CC)c1ccc2cc(C(=O)Nc3cccc(Br)c3)c(=O)oc2c1 845987 GVEIZZXIDLKZKH-UHFFFAOYSA-N 415.287 4.654 0 40 HJAB Cc1cccc(NC(=S)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@@H]2CCCO2)c1 884908 WUXPVTDRBSFABC-NRFANRHFSA-N 421.566 4.523 0 40 HJAB COc1ccc(C)cc1NC(=O)CSc1nnc2c(C)cc3cc(C)cc(C)c3n12 929761 LEFDVRRNMXNGAA-UHFFFAOYSA-N 420.538 4.856 0 40 HJAB CC(C)c1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1 1074453 FVZQPCYGCUGLFY-UHFFFAOYSA-N 413.370 4.628 0 40 HJAB COc1ccc(-c2cc3nc(C)c(C)c(NCc4ccc(F)cc4)n3n2)cc1OC 1332092 PWCIEJKSAROXGX-UHFFFAOYSA-N 406.461 4.782 0 40 HJAB CCC(=O)Nc1ccc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1 1357860 PKONXICAXSHFMR-UHFFFAOYSA-N 414.556 4.696 0 40 HJAB COc1ccc(C(=O)CSc2nnc3c4c5c(sc4nc(C)n23)CCCC5)cc1 1372263 UUJFBBAMFRLDPX-UHFFFAOYSA-N 424.551 4.510 0 40 HJAB C[C@]1(c2ccc3noc(-c4ccc(F)cc4)c3c2)NC(=O)N(c2cccc(F)c2)N1 1401681 UARXESVDUXJQAY-QFIPXVFZSA-N 406.392 4.680 0 40 HJAB CCCCSc1nnc2c(n1)O[C@H](c1ccccc1)N(C(C)=O)c1ccccc1-2 2087273 IOZGOVSRWFZUMW-OAQYLSRUSA-N 406.511 4.875 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 2403413 MXLPFMLNUTXUNC-UHFFFAOYSA-N 424.551 4.941 0 40 HJAB Cc1ccc(-c2cnnn2-c2ccc(C(=O)COC(=O)/C=C/c3ccccc3)cc2)cc1 2684845 ICVBUGHNMUKFDM-CXUHLZMHSA-N 423.472 4.682 0 40 HJAB O=S(=O)(c1ccc2ccccc2c1)N1CCN=C1SCc1ccccc1Cl 2711612 AZAFQPKSXLMSDQ-UHFFFAOYSA-N 416.955 4.787 0 40 HJAB CCOc1ccc(S(=O)(=O)Oc2ccccc2Br)c2ccccc12 5235003 RZFMQAXSUKQITL-UHFFFAOYSA-N 407.285 4.769 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc2c1CC[C@@H](CC)C2 5875427 BPPTXVBJVFFESV-CYBMUJFWSA-N 417.527 4.709 0 40 HJAB C[C@H](NC(=O)COC(=O)CCCSc1nc2ccccc2s1)c1ccccc1 6625868 WSYWTQKRKGOCJJ-HNNXBMFYSA-N 414.552 4.589 0 40 HJAB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc2ncccc12 6654022 PSAPSPZGRBIHNG-VWLOTQADSA-N 411.505 4.710 0 40 HJAB Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccccc2Cl)cc1 6814235 DOPXQMCIMZLLKE-JCMHNJIXSA-N 404.897 4.736 0 40 HJAB COc1ccc([C@@H](NC(=O)CSc2nc3ccccc3[nH]2)c2ccccc2)cc1 6972165 HMDCHAKOSVNVNJ-QFIPXVFZSA-N 403.507 4.569 0 40 HJAB Cc1cccc2c(=O)[nH]c(CSc3nnc(-c4ccco4)n3C3CCCCC3)nc12 7247535 INXBKFUSNGUGBX-UHFFFAOYSA-N 421.526 4.881 0 40 HJAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1 7766955 LAARRCSBKFHSCM-LJQANCHMSA-N 401.491 4.796 0 40 HJAB COc1cc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc(OC)c1OC 8115165 WAEHEMMMKMZONH-NRFANRHFSA-N 409.507 4.562 0 40 HJAB COc1cccc(-c2nnc(S[C@H](C)C(=O)c3ccccc3)n2Cc2ccco2)c1 8265461 HNDRENWRSHHJCK-MRXNPFEDSA-N 419.506 4.959 0 40 HJAB O=C(NCCc1ccco1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 8312947 AHBDETLKPONGMC-UHFFFAOYSA-N 405.885 4.817 0 40 HJAB O=C1OC(c2cccc3ccccc23)=N/C1=C\c1cc2c(cc1Br)OCO2 8738619 YMFJVQFHPLFODK-IUXPMGMMSA-N 422.234 4.676 0 40 HJAB Cc1ccc(NC(=O)[C@@H](Sc2nc3nc(C)cc(C)n3n2)c2ccccc2)cc1 8751709 XUOXVNZQMALDGC-IBGZPJMESA-N 403.511 4.522 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 8879158 CVEWXPYKAOEYGA-CTNGQTDRSA-N 410.539 4.642 0 40 HJAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(F)c(Cl)c1 9646428 AUCPIZUGOJOTES-UHFFFAOYSA-N 413.879 4.671 0 40 HJAB Cn1c(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)nc2ccccc21 9670116 GGKSITZJVKZLLI-UHFFFAOYSA-N 422.579 4.681 0 40 HJAB CSc1cccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 10334611 NPZCPGZABVAXMF-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10361134 AFPHBXOGBXCJBO-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB Cc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1NS(C)(=O)=O 10363118 SJLYMYLAFAWLQP-UHFFFAOYSA-N 407.706 4.579 0 40 HJAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3cc4ccc(OC)cc4nc3C)o2)cc1 10726526 PRZLSGKGHXOUFE-AWEZNQCLSA-N 419.437 4.528 0 40 HJAB COCc1c(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)sc2cccc(F)c12 12556832 WNQGSHOHNPTEIT-CQSZACIVSA-N 409.486 4.864 0 40 HJAB CCOc1cc2c(cc1NS(=O)(=O)c1c(Cl)cccc1Cl)O[C@H](C)C2 12605511 MNVONVDIASTCLT-SNVBAGLBSA-N 402.299 4.516 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCC[C@@H]1c1nnc2n1CCCCC2 12801668 PNJAEFPGJFFHBD-SYJIQKIWSA-N 405.329 4.688 0 40 HJAB O=C(Nc1ccccc1I)c1ccc(CSC(F)F)o1 12988504 HMECFSAQVCFJTL-UHFFFAOYSA-N 409.195 4.592 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)CCCc2nc3ccccc3s2)cc1OC 13010548 DOFIFLGEFUMVIA-SFHVURJKSA-N 410.539 5.000 0 40 HJAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(C(C)=O)cc1)OCCO3 13503632 DJQSBMKDWUIOJP-UHFFFAOYSA-N 422.506 4.502 0 40 HJAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(Br)cc1F 13681164 AYWNNJBFRCKBEK-UHFFFAOYSA-N 413.095 4.837 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1cccc(Cl)c1 13757829 NZKIFBJQPKELTR-NJDAHSKKSA-N 422.843 4.530 0 40 HJAB c1coc(-c2cc(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)no2)c1 14200746 UNEGHORLAFQMKR-AWEZNQCLSA-N 414.512 4.726 0 40 HJAB CC(C)c1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccc(O)cc32)cc(C(C)C)c1O 15414524 TXQSZBSNCHVKCA-RTWAWAEBSA-N 408.498 4.514 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@H]3CC=CCC3)C1)N2 19083952 SOEYOYUNSJDPLY-XWTMOSNGSA-N 420.548 4.766 0 40 HJAB O=C(C1CCC1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19373070 BBJIMTCLHBXZKH-HXUWFJFHSA-N 413.525 4.788 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccccc2)C1 19449548 OZMXHMRKLBHNRJ-MHZLTWQESA-N 413.565 4.708 0 40 HJAB COc1ccc(-c2[nH]c3ncccc3c2CN(C)CCOc2ccccc2OC)cc1 19586178 CKMKLWUXZPSLTN-UHFFFAOYSA-N 417.509 4.758 0 40 HJAB C[C@H]1N=C(c2ccc(I)cc2)[C@@H]2[C@@H](c3ccc(Cl)cc3)N21 20601920 DACVTGNUCKIYJC-CBQOQXHLSA-N 408.670 4.519 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1 20610011 KEHVVOMUNILZSC-UHFFFAOYSA-N 413.264 4.988 0 40 HJAB COc1ccc(Br)cc1[C@H]1SCCN1C(=O)Nc1ccc(F)cc1 28232282 HRYNMVIPLZQLGM-MRXNPFEDSA-N 411.296 4.876 0 40 HJAB Cc1ccc(Cc2cnc(NC(=O)Cc3csc(-c4ccccn4)n3)s2)cc1F 31956315 SFWQNXVZPJWCMA-UHFFFAOYSA-N 424.526 4.881 0 40 HJAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)o1 33475456 JUFUPYFSQVLSKD-MKMNVTDBSA-N 412.250 4.610 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nnc2c3ccccc3nc(C(C)C)n12 35314738 OOTVVSMDZGITEW-UHFFFAOYSA-N 421.526 4.530 0 40 HJAB CC(=O)c1cc2c(cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCO2 36287578 OTNRGNFCRNSBGS-UHFFFAOYSA-N 419.277 4.908 0 40 HJAB CCOc1cc(C(=O)N(C)Cc2ccc(Cl)cc2)ccc1OCc1cccnc1 40068851 QFBOLRMNYUXODG-UHFFFAOYSA-N 410.901 4.985 0 40 HJAB Cc1csc(N(C(=O)CCc2nc(Cc3ccccc3)no2)c2ccccc2)n1 40129035 MFRMGZTWYOVPGG-UHFFFAOYSA-N 404.495 4.723 0 40 HJAB O=C(COc1ccc(Br)cc1)NCCSCc1ccc(Cl)cc1 41302931 URYBRDKHKUOAMX-UHFFFAOYSA-N 414.752 4.531 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c(OC)c1 57313880 NLEKKVDGAAKMPG-UHFFFAOYSA-N 418.824 4.503 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1cnn(Cc2ccccc2)c1 58014329 DPACDMOKVQUKPS-UHFFFAOYSA-N 424.863 4.617 0 40 HJAB CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1nccs1 58023060 QZLYMEMRVOQILF-UHFFFAOYSA-N 401.363 4.826 0 40 HJAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 65322210 YYXUVGDXYRZYBZ-UHFFFAOYSA-N 406.530 4.693 0 40 HJAB O=C(COc1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72358676 GOWRCGCGZDFBLV-GOSISDBHSA-N 407.901 4.582 0 40 HJAB Cc1ccccc1-c1cncc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 72359654 TXAJDCIWEDIJJR-UHFFFAOYSA-N 410.521 4.882 0 40 HJAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccc2nsnc2c1 96119757 VWKKOWYRYVCTIE-UHFFFAOYSA-N 419.491 4.646 0 40 HJAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3C)CC2)on1 100743901 ZGODBYAMLAUZPF-DZJNRPSUSA-N 410.562 4.784 0 40 HJAB COc1cc([C@H]2C=C(c3ccccc3)Nc3ncnn32)ccc1OCc1ccccc1 101514561 HKFCTZDRZFDJCR-JOCHJYFZSA-N 410.477 4.922 0 40 HJAB COc1cccc(-c2noc3nc(C)cc(C(=O)N[C@@H](C)[C@@H]4C[C@H]5CC[C@H]4C5)c23)c1 104070535 VHUMOFQGOJFRHK-FPXQBCRKSA-N 405.498 4.761 0 40 HJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(CN2CCCCCC2)cc1 219965232 GELDSFRBGXYXDY-UHFFFAOYSA-N 424.570 4.836 0 40 HJAB CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222626299 JCASXQISTDQUOH-USCONSEESA-N 404.539 4.860 0 40 HJAB Cc1ccc(CN2CCC(C(=O)Nc3nnc(-c4ccc(C)cc4)s3)CC2)cc1 222988007 GFQQODRVEAQHHW-UHFFFAOYSA-N 406.555 4.673 0 40 HJAB Fc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 223356132 DERUOKWZBMAKRP-FCHUYYIVSA-N 418.497 4.777 0 40 HJAB CCC[C@@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223416835 BBZPVMAAKXAPBU-CYBMUJFWSA-N 410.923 4.528 0 40 HJAB O=C(CSCc1ccc(Br)cc1)NCCOc1ccccc1Cl 223453490 AJNTYQVJUVEVEW-UHFFFAOYSA-N 414.752 4.531 0 40 HJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 223750928 ZRCSNGSNYYUDPZ-SFHVURJKSA-N 412.961 4.749 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1F 224198266 GPZHSYQWWJLVHC-QHCPKHFHSA-N 410.533 4.543 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 224326093 ZMEMWBKHAARCGU-JOCHJYFZSA-N 412.961 4.749 0 40 HJAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1ccccc1C 224370552 WIGGLNCNCGOTTB-UHFFFAOYSA-N 405.494 4.911 0 40 HJAB Cc1ccc(CSCCNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 225294377 VLFUSRARFOJLHF-UHFFFAOYSA-N 413.612 4.650 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 225714305 RAGKAQKZEWQYDL-HSZRJFAPSA-N 424.585 4.695 0 40 HJAB S=C(NCc1nc(-c2ccccc2)no1)Nc1ccc(Br)c(Cl)c1 225813489 VSFJDXMUOHGXHY-UHFFFAOYSA-N 423.723 4.639 0 40 HJAB CCOc1cc(CO)cc(Br)c1OC(=O)c1cccc2ccccc12 226364796 QNMZUZIDOQZRJO-UHFFFAOYSA-N 401.256 4.713 0 40 HJAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(Cl)c4C)cc3)C(=O)[C@H]2C1 408687106 UIRPMVWTIVFIPX-MSOLQXFVSA-N 408.885 4.746 0 40 HJAB CCCCc1ccc(NS(=O)(=O)c2ccc(OCC)c(NC(=O)CC)c2)cc1 408697696 LDRVXNXEGJKXAH-UHFFFAOYSA-N 404.532 4.577 0 40 HJAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O 409169818 RVUMZSMGMPRRGJ-YBEGLDIGSA-N 420.412 4.689 0 40 HJAB Cc1cccc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/c4csc(C)n4)C3)ccn2)n1 585291900 VHXAUMHSLRWPML-CSHXORCISA-N 419.554 4.713 0 40 HJAB O=C(Cc1ccc(NC(=O)N2[C@H]3C=CC[C@H]2CC3)cc1)N1CCCc2ccccc21 676939017 IWTRUQSFVGEZKR-VXKWHMMOSA-N 401.510 4.533 0 40 HJAB O=C(Nc1ccc(F)nn1)c1cc(-c2ccccc2)nc2cc(Br)ccc12 1131208356 XYENLSCWQFWSSC-UHFFFAOYSA-N 423.245 4.846 0 40 HJAB Cc1cccc2c1OC[C@@H](NC(=O)NCCc1ccc(Oc3ccc(F)cc3)cc1)C2 1633508615 AWLOORIBVHEFED-NRFANRHFSA-N 420.484 4.772 0 40 HJAB COc1cccc(-c2ccc3c(N)c(C(=O)NCCc4ccc(F)cc4)sc3n2)c1 661216 YZQIYXJEKAMYDA-UHFFFAOYSA-N 421.497 4.666 0 40 HJAB Cc1ccc(OC(=O)c2ccc(Br)cc2)c(-n2nc3ccccc3n2)c1 711056 DRADHEPGBKVGJS-UHFFFAOYSA-N 408.255 4.711 0 40 HJAB Cc1ccc(-c2nnn([C@@H](C)C(=O)N3c4ccccc4CCc4ccccc43)n2)cc1 932082 VPCCNAJQAUVEMF-SFHVURJKSA-N 409.493 4.673 0 40 HJAB CCCc1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 1335338 WDEDXZDMJNKQDK-UHFFFAOYSA-N 417.962 4.737 0 40 HJAB Fc1cccc(Cl)c1[C@@H]1C=C(c2ccc(Br)cc2)N=C2NN=NN21 2231530 ZMUUQBLTTAIDES-AWEZNQCLSA-N 406.646 4.881 0 40 HJAB CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(C)cc2)s1 2410538 GFPOTEWQWSWULG-IBGZPJMESA-N 417.490 4.574 0 40 HJAB CC(C)CC(=O)N[C@@H](Nc1cccc(Br)c1)C(Cl)(Cl)Cl 2666955 OEKYPZBGSBVKRJ-GFCCVEGCSA-N 402.547 4.720 0 40 HJAB C[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 3296019 YDTVVPUIRJOOKL-CYBMUJFWSA-N 400.525 4.583 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c(C(C)C)cc1Cl 3359624 LNKRBWPCAUHHHE-UHFFFAOYSA-N 402.922 4.626 0 40 HJAB Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)c1 3635587 JZHSPAOYTKQDQH-UHFFFAOYSA-N 417.490 4.596 0 40 HJAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@H]1c1ccc(OC)cc1 4816572 GVNVCLGEGSTYSS-FCHUYYIVSA-N 404.514 4.853 0 40 HJAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)n1C 4947918 LZHRZSXXNMAKHU-NSHDSACASA-N 410.421 4.522 0 40 HJAB O=C(NC1CCCCCCCCCCC1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 5193697 RTLWIWDFRRTNPH-HXUWFJFHSA-N 403.542 4.904 0 40 HJAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(C)c2)o1 5478432 GROMEFURSIBVNF-HNNXBMFYSA-N 409.577 4.989 0 40 HJAB CC(C)c1ccc(/C=C/C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1 6307365 XDKJCFUMSHYHDD-BJMVGYQFSA-N 407.539 4.908 0 40 HJAB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2Cl)CC1 6569673 AILRRJQLDDVORL-UHFFFAOYSA-N 421.928 4.804 0 40 HJAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OCC)c(OCC)c1 6752958 RPLSWJKJFVQUEJ-HSZRJFAPSA-N 421.497 4.535 0 40 HJAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cc(Cl)ccc1C 7615942 NRSIBISGNHKWSF-UHFFFAOYSA-N 409.916 4.841 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)N[C@H]1CCCc2ccccc21 8076442 XZIRCLRJARPHIW-KRWDZBQOSA-N 410.568 4.627 0 40 HJAB Cc1nc(COc2ccc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)cc2)cs1 8157029 VAQXSLXGQBXACG-MRXNPFEDSA-N 418.522 4.707 0 40 HJAB O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCO2 8854450 MKLLOSKGFNRKMX-UHFFFAOYSA-N 418.927 4.999 0 40 HJAB O=C(Nc1nc(-c2ccccc2)cs1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 9365009 CVRQXCUANUFWQK-VAWYXSNFSA-N 417.534 4.701 0 40 HJAB COc1ccc2nc(SCc3csc(CC(=O)Nc4ccc(C)cc4)n3)[nH]c2c1 9515962 KMBZJSMWBVWPHN-UHFFFAOYSA-N 424.551 4.810 0 40 HJAB COc1cccc(N(C(=O)[C@@H]2COc3ccccc3O2)c2nc3ccccc3s2)c1 9949731 LATXSIVTJHLEDU-FQEVSTJZSA-N 418.474 4.810 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1ccccc1F 10212777 QQFTZDHWGVUMTA-UHFFFAOYSA-N 422.460 4.943 0 40 HJAB O=S(=O)(N[C@@H](c1cccs1)C1CC1)c1ccc(Br)cc1Cl 10683171 BMAZHALUGDLPDN-CQSZACIVSA-N 406.754 4.594 0 40 HJAB C[C@@H](Sc1nc2c(c(=O)[nH]1)CCCC2)C(=O)Nc1ccc(Oc2ccccc2)cc1 11903528 NCHRPIARAOPEGS-OAHLLOKOSA-N 421.522 4.560 0 40 HJAB Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 12180560 KREAASSKYMTTPS-UHFFFAOYSA-N 420.534 4.530 0 40 HJAB COC(=O)c1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccs4)=NN32)cc1 12194402 ZTZWOMJFTTYCFR-AVRDEDQJSA-N 420.490 4.786 0 40 HJAB O=C1C[C@H](c2ccccc2)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 12376145 UAUXFRFNBXBZAZ-OAHLLOKOSA-N 403.912 4.708 0 40 HJAB CCc1cccc(N2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)c1 12414803 UZNJKLYQIJZYFP-UHFFFAOYSA-N 410.470 4.724 0 40 HJAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN(Cc1ccc(F)cc1)C3 12442382 CEZSZGNVTIPGOW-UHFFFAOYSA-N 417.436 4.960 0 40 HJAB biogenic COc1ccc(C(=O)[C@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)cc1 13163851 WQOUTIICEPJQSQ-NSHDSACASA-N 418.316 4.606 0 40 HJAB COc1ccccc1C(=O)NCCc1nc2ccccc2n1Cc1cc(C)ccc1C 13283316 RVJXOFFVCNRHKK-UHFFFAOYSA-N 413.521 4.683 0 40 HJAB COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 13284024 BUSMCTIOOKVOSF-UHFFFAOYSA-N 423.416 4.510 0 40 HJAB Cc1nc2c(sc3ccccc32)c(=O)n1CC(=O)Nc1ccccc1C(F)(F)F 16841921 OSXXZYNWKHVTOC-UHFFFAOYSA-N 417.412 4.577 0 40 HJAB CCOc1ccccc1Nc1nnc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)s1 17750289 AZCANRVULTZDQN-OKILXGFUSA-N 406.577 4.562 0 40 HJAB CC(C)(C)c1cc(C(F)(F)F)n2nc(C3CCN(Cc4ccncc4)CC3)cc2n1 19083848 AHFMYVTWXZZVAP-UHFFFAOYSA-N 417.479 4.820 0 40 HJAB CC(C)c1nc([C@H](Cc2c[nH]c3ccccc23)NCc2ccccc2F)cc(=O)[nH]1 19453492 HCQBZRRNUAVOSW-NRFANRHFSA-N 404.489 4.587 0 40 HJAB Cc1ccccc1Cc1ccc(C2CCN(C(=O)CC[C@@H](C)N3CCCC3)CC2)nc1 19690403 ZCGOZWOXMATMRQ-JOCHJYFZSA-N 419.613 4.951 0 40 HJAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccnc3ccccc23)C1 19702126 DQNZFHOJBKTQII-QGZVFWFLSA-N 416.550 4.536 0 40 HJAB Cc1nc([C@@H]2CCCN2CCCc2ccccc2)ncc1C(=O)Nc1ccccc1 19753519 XWWMXFKFGWDFJF-QHCPKHFHSA-N 400.526 4.807 0 40 HJAB COCCN(Cc1cccs1)S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl 24366714 LCIDMOILIBMBTP-UHFFFAOYSA-N 408.372 4.509 0 40 HJAB O=C(Nc1cccc(-c2nnco2)c1)c1cn(-c2ccccc2)nc1-c1ccccc1 40063101 BFKADSKHLSIGKU-UHFFFAOYSA-N 407.433 4.842 0 40 HJAB O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 45684286 FFFVTVLCQXJTQI-UHFFFAOYSA-N 415.371 4.747 0 40 HJAB Cc1cccc2sc(OC3CCN(C(=O)CSc4ccc(F)cc4)CC3)nc12 49431828 CFDDYJKFQOASEZ-UHFFFAOYSA-N 416.543 4.906 0 40 HJAB Cc1cc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C[C@H](C(C)C)N(C)C)no1 58005810 NNCWGXYYXRINHW-QGZVFWFLSA-N 413.349 4.910 0 40 HJAB CC(=O)c1cc(CCC(=O)NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)oc1C 58156032 SNWGNJVGZWYHGP-HDICACEKSA-N 410.558 4.518 0 40 HJAB Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 59200680 NPWPOLYGYBVOBQ-UHFFFAOYSA-N 422.279 4.677 0 40 HJAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(CCOc2ccc(F)cc2)C1 72359001 MZJMRKVTPVPKSI-GOSISDBHSA-N 407.489 4.550 0 40 HJAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3oc4cc(C)ccc4c3C)CC1)O2 72390742 FWMDHDCLRFCFJR-UHFFFAOYSA-N 403.478 4.998 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)N1CCC(CSc2ccccn2)CC1 90608035 FYMQHCJYAOCYQN-UHFFFAOYSA-N 411.354 4.798 0 40 HJAB C/C=C\c1ccc(OC[C@H](O)Cn2c(-c3cscn3)nc3ccccc32)c(OC)c1 96939916 UHDALNCFBSHZQW-GPCFVJJQSA-N 421.522 4.641 0 40 HJAB COc1ccc([C@@H]2Nc3nonc3N=C3C[C@H](c4ccc(F)cc4)CC(O)=C32)cc1 102838105 YERFZHHSRYRNCF-XOBRGWDASA-N 406.417 4.846 0 40 HJAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c1 223842976 UWFVSKQNFJLVBO-UHFFFAOYSA-N 417.870 4.720 0 40 HJAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 223852295 TUSGCCXWPSTTAG-YADHBBJMSA-N 404.539 4.881 0 40 HJAB COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C 224200810 BCFSKSIJYJMTQD-GOTSBHOMSA-N 420.582 4.632 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C1CC1 224595577 SZNHQWONXHXBEH-YADHBBJMSA-N 404.539 4.718 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 225120633 WPYWLBIYBIPOKT-NHCUHLMSSA-N 424.585 4.829 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2cccc3c2CCCC3)sc2c1CCCC2 225262453 DWZVBHLHZLSWMJ-UHFFFAOYSA-N 413.539 4.700 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C 225583586 RUTMDOFBJBFNJO-REWPJTCUSA-N 424.585 4.713 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)C 225650526 KZJZZBDCOFPJAP-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB C[C@@H]1CCCN(CCCNC(=S)Nc2ccc(Br)c(Cl)c2)C1 225736756 VUUSOWIZNLYDSB-GFCCVEGCSA-N 404.805 4.511 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC[C@@H](C)C[C@H]2C1=O 408668890 FWBRIGFKXOWWDM-MZMPZRCHSA-N 410.901 4.826 0 40 HJAB C[C@H](C(=O)Nc1ccc2ccccc2c1)N1c2cccc3cccc(c23)S1(=O)=O 409383878 NAGHCXNTFAJDGT-OAHLLOKOSA-N 402.475 4.529 0 40 HJAB CN(C)CCOc1ccccc1NC(=O)C[C@H](c1ccc(Cl)cc1)n1cccc1 524732394 YSCCJGRJYAYBOK-OAQYLSRUSA-N 411.933 4.700 0 40 HJAB Fc1ccc(Nc2cccc(C3CCN(Cc4nc5ccccc5[nH]4)CC3)n2)nc1 585262996 HEABTWFDUNDGKN-UHFFFAOYSA-N 402.477 4.615 0 40 HJAB C[C@@H](CO)C1CCN(C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)CC1 1644583019 GUNNXCSURZPIFP-ZDUSSCGKSA-N 408.329 4.613 0 40 HJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1cc(C)ccc1C(C)C 812097 ZCMOYJKQGNXYLH-UHFFFAOYSA-N 422.481 4.990 0 40 HJAB Cc1nc2sc3c(c2c2nnc(S[C@H](C)C(=O)Nc4ccccc4)n12)CCCC3 1295847 FRZSXPPGIATWRE-GFCCVEGCSA-N 423.567 4.646 0 40 HJAB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc(OC(F)F)cc1 3254979 GQLNTFCZMVPYMT-UHFFFAOYSA-N 410.372 4.559 0 40 HJAB COc1ccc2c(c1OC)C(=O)N1C[C@H](c3cccs3)c3c([nH]c4ccccc34)[C@H]21 4086681 MBTYOUHHAPXLTE-QRQCRPRQSA-N 416.502 4.937 0 40 HJAB biogenic CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CCCC2)cc1 4240606 JKSGOLHHYZKOAN-QHCPKHFHSA-N 424.541 4.863 0 40 HJAB Cc1ccccc1Nc1nc(N2CCC(Cc3ccccc3)CC2)nc2c1cnn2C 4272760 PELUMTFUMFVUIU-UHFFFAOYSA-N 412.541 4.874 0 40 HJAB CCOc1ccc(N2C(=O)c3[nH]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccccn2)cc1 4625152 PFQJQXFBDWUIMO-DEOSSOPVSA-N 410.477 4.929 0 40 HJAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccccc1 4703956 JLTXRUHRQLMWCW-UHFFFAOYSA-N 403.463 4.630 0 40 HJAB CCCCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@H]1c1ccc(OC)cc1 4816571 GVNVCLGEGSTYSS-VXKWHMMOSA-N 404.514 4.853 0 40 HJAB CC[C@]1(C)Cc2ccccc2C(c2nn(-c3ccc(C)cc3)[n+](-c3ccc(C)cc3)n2)=N1 4860773 OFODZNPZZDFYLZ-HHHXNRCGSA-N 422.556 4.723 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4cccc(C)c4C)ccc32)cc1 6767047 HHSBDNIIVSYTSO-UHFFFAOYSA-N 420.534 4.616 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 8041349 FUIUPANOPFSUIH-HXUWFJFHSA-N 412.873 4.659 0 40 HJAB Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(Cl)c1 8310334 QBLGLAHFWSZKOP-LJQANCHMSA-N 400.906 4.585 0 40 HJAB COc1ccc(C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1OC 8471445 YLUASBPYQVDPSF-UHFFFAOYSA-N 404.466 4.527 0 40 HJAB O=C(c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)N1CCCCCC1 8471538 FEGPERFSFDGGBO-UHFFFAOYSA-N 417.292 4.810 0 40 HJAB CCOc1cc(C=O)ccc1OCCCSc1nnc(-c2ccc(OC)cc2)o1 8731653 GRXCNLPDRJKYTR-UHFFFAOYSA-N 414.483 4.518 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)c1 8810042 DEFRCMCADSRVGO-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1F)c1ccccc1Cl 8810374 QOBBXYFCDYJVQD-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB CCCOc1c(Cl)cc(C(=O)N(CC)Cc2ccc3c(c2)OCO3)cc1OC 9377567 KVOWBONNNQXDJA-UHFFFAOYSA-N 405.878 4.528 0 40 HJAB COc1cc(CCC2CCN(C(=O)c3cccc4cccnc34)CC2)cc(OC)c1 10029917 DHSDNZNVNWOGHW-UHFFFAOYSA-N 404.510 4.737 0 40 HJAB Cc1cc(C)nc(Sc2ccc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)cc2)n1 11287990 TUTFPRQOCJCLNK-LJQANCHMSA-N 411.914 4.840 0 40 HJAB Cc1ccc(-c2cc(C(=O)Nc3nc(C)c(C(=O)OCC(C)C)s3)no2)cc1F 11915660 UBYTYABPSRXJID-UHFFFAOYSA-N 417.462 4.619 0 40 HJAB Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)CC(c1ccccc1)c1ccccc1 12180715 SFXOXZHRSJZVBW-UHFFFAOYSA-N 417.896 4.817 0 40 HJAB Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)s1 12729756 UHKNOIZNQHUQGY-GOSISDBHSA-N 409.479 4.726 0 40 HJAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 12922211 ZFJYNZDAHFQXGY-SFHVURJKSA-N 408.523 4.597 0 40 HJAB CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716629 LPJPMCJOKFPXAH-NRFANRHFSA-N 416.587 4.919 0 40 HJAB Cc1c(CC(=O)N2CCCc3ccccc32)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 13733036 RMMRFIJAUFMTII-UHFFFAOYSA-N 417.505 4.727 0 40 HJAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 14009874 SHONPDCTZWXGQG-VZWMTCDZSA-N 400.862 4.623 0 40 HJAB O=C(NCC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 14688041 MKFHADUKNKPFAL-UHFFFAOYSA-N 414.977 4.525 0 40 HJAB O=C(Cn1cc(CNC2(c3ccccc3F)CCCC2)c2ccccc21)NC1CC1 19376117 YTXKDURFJZBQIO-UHFFFAOYSA-N 405.517 4.618 0 40 HJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 20037160 QUVDTEWBJVQLNH-OAQYLSRUSA-N 406.482 4.623 0 40 HJAB CC(C)c1ccc(-n2nc3ccc(NC(=O)COc4ccccc4F)cc3n2)cc1 20610695 UUQUYRWDUWGCKR-UHFFFAOYSA-N 404.445 4.701 0 40 HJAB COc1cccc(NC(=O)CSc2nc3ccc(NC(=O)C(C)C)cc3s2)c1 20894964 BMRYMLAGHCUPEW-UHFFFAOYSA-N 415.540 4.630 0 40 HJAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(C)s3)c3ccccc32)c(C)c1 21343594 MNBITYOGTVKYMS-DEOSSOPVSA-N 405.519 4.681 0 40 HJAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 22326387 BUAIARWWGYEFBO-LJQANCHMSA-N 422.456 4.548 0 40 HJAB C[C@H](CC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)NC(=O)c1ccccc1 22879085 UTFFNRLGBKWHMU-IREHCWDISA-N 424.544 4.609 0 40 HJAB CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(Cc1ccco1)[C@@H]3c1ccccc1 27460243 HZLSJVIGJLKQAX-OAQYLSRUSA-N 401.418 4.530 0 40 HJAB Cc1ccc(Cn2cc(Br)c(NC(=O)[C@H]3C[C@@H]3c3ccccc3)n2)cc1 28230911 ZFJLFEDZNRIKLC-MSOLQXFVSA-N 410.315 4.745 0 40 HJAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(F)cc2)OC3=O)c1 33026896 MVFJFXQUFRXKAX-JOCHJYFZSA-N 403.409 4.735 0 40 HJAB O=C(CN1CCN(c2ccc(F)cc2)CC1)N1c2ccccc2Sc2ccccc21 35828010 BXFVGWBVNXUZST-UHFFFAOYSA-N 419.525 4.777 0 40 HJAB CC[C@H](C(=O)OCc1nc(-c2ccc(Br)cc2)no1)c1ccccc1 44836471 NNRJERAQYXLBQE-INIZCTEOSA-N 401.260 4.736 0 40 HJAB COc1ccc(-c2nc3cc(C(C)C)cc(Br)c3o2)cc1-n1cnnc1 45920710 DUDJDKRDTUBXES-UHFFFAOYSA-N 413.275 4.970 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccn(-c3ccc(OC)cc3)n2)cc1 58417708 HUCQIZMLDSCNHD-QHCPKHFHSA-N 405.498 4.647 0 40 HJAB COc1cccc(CSc2nc3ccccc3c(=O)n2Cc2cccc(OC)c2)c1 67258767 UOISDQPWRILEOS-UHFFFAOYSA-N 418.518 4.754 0 40 HJAB CC(C)(C)c1nc(CN2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)no1 71889316 YGMZNORVPACQEK-NRFANRHFSA-N 424.589 4.664 0 40 HJAB CSc1ccc(-c2ccc(=O)n(CC(=O)c3ccc(Cl)cc3Cl)n2)cc1 72401538 DCQHOSLOSGNTOC-UHFFFAOYSA-N 405.306 4.822 0 40 HJAB COC(=O)c1c(C)nsc1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 84026740 REACXOGCRABZLO-UHFFFAOYSA-N 414.314 4.741 0 40 HJAB O=S(=O)(Nc1c(F)cc(F)cc1Br)c1ccc(C(F)(F)F)cc1 95950192 KGPHJUHEXNTYFX-UHFFFAOYSA-N 416.165 4.547 0 40 HJAB CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 96053321 ZPTLLRIXELKUQQ-HXUWFJFHSA-N 410.533 4.641 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)c3csc(C)c3)CC2)on1 100743688 BRUFVHLQSBSCTD-CALCHBBNSA-N 410.543 4.822 0 40 HJAB COC(=O)c1ccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc1 102739486 NACDCRJZUCNYNT-ACJLOTCBSA-N 422.466 4.547 0 40 HJAB C[C@@H](Nc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)O)c1ccccc1 217610562 IKXVPCRAVNLGBP-IAGOWNOFSA-N 424.522 4.597 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(CC)cc1 223085340 UQDFMJPBIFUXBY-NRFANRHFSA-N 408.586 4.824 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSc1ccc(C)cc1 223086662 IJSDFYPRQAXZAB-MSOLQXFVSA-N 416.562 4.558 0 40 HJAB CC(C)(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccccc2F)CC1 223717799 MWZVIQYZUHZPML-UHFFFAOYSA-N 412.549 4.530 0 40 HJAB Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 224109478 PQAUYVDUKAONJR-IBGZPJMESA-N 422.550 4.620 0 40 HJAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)cc1 224389416 HGAUBEYVJWTARX-YADHBBJMSA-N 415.497 4.584 0 40 HJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)[nH]1 224514652 UDPPFJCEZRJEDP-MSOLQXFVSA-N 413.344 4.658 0 40 HJAB CC(C)Oc1cccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)c1 225819698 UDHHVAYEHFNISU-UHFFFAOYSA-N 402.907 4.664 0 40 HJAB O=C(Nc1ccc(I)cn1)c1ccc(-c2ccccc2Cl)o1 226864601 JJRPARXYEKQPIV-UHFFFAOYSA-N 424.625 4.852 0 40 HJAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)n1 257329374 XJSILZISCMTLFJ-VAMGGRTRSA-N 408.546 4.803 0 40 HJAB CCOc1cc(CO)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408550633 FXJKJVYPUDDRLT-UHFFFAOYSA-N 404.677 4.555 0 40 HJAB Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 408701717 DKLJUAWIAZVHKM-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cccc(Br)c2)S1 408814638 RTJIOUOHZPLOBX-UHFFFAOYSA-N 404.309 4.529 0 40 HJAB Cc1cccc(OCc2nn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=S)o2)c1 409165562 ZNMCVGTZRKOHTE-UHFFFAOYSA-N 403.891 4.694 0 40 HJAB Cc1ccc(SCC(=O)Nc2c(C)cc(I)cc2C)cc1 409176915 ATVRXZYSVSLYQY-UHFFFAOYSA-N 411.308 4.947 0 40 HJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1C 409360184 YYXPUYQRONMNAX-LICLKQGHSA-N 400.887 4.632 0 40 HJAB CC(=O)N1N=C(c2ccc(Br)cc2Br)C[C@@H]1c1ccccc1 688050 BQYLNSWQCNFGBD-QGZVFWFLSA-N 422.120 4.909 0 40 HJAB CC1CCN(C(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)CC1 890810 NMWITKAVSPIUQG-UHFFFAOYSA-N 413.440 4.652 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(CNc3cccc(Cl)c3)n2C)cc1 917323 JABMQMFQLKLXEF-CQSZACIVSA-N 415.950 4.508 0 40 HJAB COc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccs1 1380079 IAJOUPGDZKHJKO-NRFANRHFSA-N 424.522 4.797 0 40 HJAB Clc1cccc(-n2ncc3c2ncn2c(Cc4cccc5ccccc45)nnc32)c1 2426702 WZBFBGWKPNUDPD-UHFFFAOYSA-N 410.868 4.861 0 40 HJAB CSc1nnc2c(n1)O[C@@H](c1ccc(Br)s1)Nc1ccccc1-2 2738912 LNPGBMDICZKMFI-ZDUSSCGKSA-N 407.318 4.588 0 40 HJAB Cc1ccc(NC(=S)NNC(=S)Nc2ccc(SC(F)F)cc2)cc1C 3274722 DCIOOQKDDKZYOX-UHFFFAOYSA-N 412.556 4.806 0 40 HJAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc2ccccc2c1 3351212 VAOSHJWRCUETLP-UHFFFAOYSA-N 414.461 4.723 0 40 HJAB CCOc1ccccc1NC(=O)[C@H](Sc1nnc2ccccn12)c1ccccc1 3355037 PAOLWRPIESXPLA-HXUWFJFHSA-N 404.495 4.600 0 40 HJAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C(C)C)cc2)N2C(=O)[C@@H](C)SC2=N1 3636567 GQWPDVZXUMZGNF-DNVCBOLYSA-N 400.544 4.658 0 40 HJAB COc1cccc(NC(=O)CN2C(=O)C[C@@H](c3ccccc3)Sc3ccccc32)c1 4162769 LTLKEHKEDAKNNT-QFIPXVFZSA-N 418.518 4.904 0 40 HJAB O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H](c1ccccc1)N2 4168373 BZDAXARBZUSXCH-JADLZALPSA-N 402.538 4.892 0 40 HJAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1Cl 4487831 LXMKHIJDIKKNIF-UHFFFAOYSA-N 416.886 4.923 0 40 HJAB COc1cc(NC(=O)COc2c(C)cc(C)cc2Cl)ccc1NC(=O)C(C)C 4554783 QRDDBNMYACJWJW-UHFFFAOYSA-N 404.894 4.577 0 40 HJAB Cc1ccc2nc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)sc2c1 4583399 AVURZHFXUZWPMD-UHFFFAOYSA-N 405.445 4.586 0 40 HJAB C[C@@H](Oc1ccccc1)C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 5426625 WJJXEEJDHXFDDS-GOSISDBHSA-N 405.498 4.865 0 40 HJAB C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)Nc1ccc(C(F)(F)F)cc1 6121071 MMZPEHFAHGQYLY-XTZCOPOCSA-N 414.383 4.837 0 40 HJAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(Cl)c2)N1Cc1ccncc1 6744776 REYHRFZHOSDHTH-QFIPXVFZSA-N 416.868 4.576 0 40 HJAB O=c1c2ccccc2n2c(-c3cccc(Cl)c3)nnc2n1Cc1ccc(F)cc1 6781207 XMCWYTYKJVAKRA-UHFFFAOYSA-N 404.832 4.552 0 40 HJAB COc1ccc(CC(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)cc1 7979427 JSLXJEIVXAWNMZ-UHFFFAOYSA-N 414.299 4.919 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)Cn1nc(COc2ccccc2C)oc1=S 8571605 ZHHXOPGEPBTAKR-UHFFFAOYSA-N 403.891 4.694 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)cc1Cl 8571638 YDRSKUNLBMWNSY-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)C(=O)c1nc(Cl)ccc1Cl 8747924 AOVHQGKXCBKHDE-INIZCTEOSA-N 415.704 4.808 0 40 HJAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cccc4ccccc34)cc21 8959498 LOHUDXQCRLZTBL-UHFFFAOYSA-N 402.494 4.793 0 40 HJAB O=C(c1ccc2nc(-n3cccc3)sc2c1)N1CCN(c2ccc(Cl)cc2)CC1 8993680 FPPMDGMDBPGMTQ-UHFFFAOYSA-N 422.941 4.703 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)c1 10641141 WSMWQYICOQJXEL-UHFFFAOYSA-N 406.282 4.815 0 40 HJAB CCOc1c(Cl)cc(/C=C2\N=C(c3cccc(OC(F)F)c3)OC2=O)cc1OC 13063604 BTVDNKJPODJGDB-NVNXTCNLSA-N 423.799 4.693 0 40 HJAB COc1cc(C(=O)O)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12 13650712 KFQBKNCZRCRBOU-UHFFFAOYSA-N 422.481 4.967 0 40 HJAB in-vitro C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 14007092 JHVRVJFXPABWBL-MRXNPFEDSA-N 400.906 4.762 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2ccc(C)c(Cl)c2)cc1 15390927 RKRSSYWJPRLJQV-SFHVURJKSA-N 420.962 4.529 0 40 HJAB COc1cc(C)ccc1OCCSc1nnc(COc2ccc(Cl)cc2)o1 15670046 ILXKABUJWDZMEM-UHFFFAOYSA-N 406.891 4.790 0 40 HJAB CCCCN(CCCC)C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 15883321 WAHNHBWHPMLAKC-UHFFFAOYSA-N 409.505 4.626 0 40 HJAB COc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1C 19239593 XIUHRVQNLOTWDZ-LJQANCHMSA-N 410.905 4.810 0 40 HJAB O=C(c1ccc(F)c(F)c1)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 19376523 ODKFXOPCUXPAIQ-UHFFFAOYSA-N 420.419 4.583 0 40 HJAB CCCC(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19501308 UJHLUJZZIQXJRD-LJQANCHMSA-N 401.514 4.788 0 40 HJAB COC(C)(C)C(=O)N1CCC(c2cc(Cc3ccc(Cl)cc3)cc(C)n2)CC1 19691711 DDTSCIHGKYQBRI-UHFFFAOYSA-N 400.950 4.765 0 40 HJAB CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)c2ccc(C)c(F)c2)CC1 29794841 DVXFIRGPMSJPOH-NRFANRHFSA-N 415.480 4.862 0 40 HJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 36092711 PYOKJJNUOGAENT-RBUKOAKNSA-N 407.558 4.699 0 40 HJAB C[C@@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1cccc(C(F)(F)F)c1 40086782 IHIKNHAICQMQFV-CQSZACIVSA-N 413.399 4.844 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 44855711 PKURWUSWWPZKCX-WZONZLPQSA-N 422.569 4.959 0 40 HJAB O=S(=O)(Cc1ncc(-c2ccccc2)o1)c1ccc(Cl)c(C(F)(F)F)c1 48332309 RPNZCLCKXMCHGF-UHFFFAOYSA-N 401.793 4.988 0 40 HJAB CC(C)[C@@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1cccs1 48374876 RLBAVHGUKAMOHC-OAQYLSRUSA-N 413.564 4.849 0 40 HJAB COc1ccc([C@@H]2[C@@H](NC(=O)C[C@H](C)n3nc(C)c(C)c3C)[C@H]3CCCC[C@H]32)cc1 60016614 CUVHVJHKEWHHOI-CEASYSAKSA-N 409.574 4.857 0 40 HJAB Cc1c(C(=O)Nc2cn(CC(C)C)nc2C(F)F)cnn1-c1cccc(Cl)c1 89544946 YWDLFRPPPMYSEA-UHFFFAOYSA-N 407.852 4.877 0 40 HJAB O=C(c1cscn1)N1CC2(CCN(CC(c3ccccc3)c3ccccc3)CC2)C1 96089451 RSBFFRWZULMQGD-UHFFFAOYSA-N 417.578 4.513 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 122617397 LOJPGRHPJBGMMF-DDTUSQRQSA-N 404.591 4.775 0 40 HJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219322930 UOAPPVVTBQUIFD-MRXNPFEDSA-N 420.296 4.859 0 40 HJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1cccc(Br)c1 219451301 CBVLBQSXAOLXNJ-UHFFFAOYSA-N 409.283 4.981 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C)cc1 222532184 QSLFXCRYXNJKKM-GBXCKJPGSA-N 424.585 4.658 0 40 HJAB CCCCc1ccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 222568900 YSNGVVBZCIXJFD-UHFFFAOYSA-N 400.544 4.520 0 40 HJAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC 222577444 ZLUTUYGNNNJSBN-UYHISHBKSA-N 403.935 4.732 0 40 HJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)n1-c1cccnc1 223090306 LQHMRTPWOISNKW-GOTSBHOMSA-N 417.582 4.881 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1Cc1cccnc1 223479090 IAOUANPFGWBBIE-FGZHOGPDSA-N 403.555 4.566 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)c3cc(C)ccc3C)c2)c1 223951463 FVUPHMIDMMZOPN-LJQANCHMSA-N 422.550 4.904 0 40 HJAB C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCCCc3ccc(F)cc3)cn2)C1 223969115 AWLHLPPIQMTBQV-IRXDYDNUSA-N 400.567 4.622 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 224113664 CNSDPVZRIMFFBS-QHCPKHFHSA-N 424.610 4.953 0 40 HJAB Cc1ccc(CN(C(=O)CSc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224176241 DNRSYXSCPMNSSO-FQEVSTJZSA-N 412.599 4.585 0 40 HJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225623075 MMBVSYDTAFZLBV-JXALWOEJSA-N 404.595 4.967 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 225657828 SIHIZMACGHQJFS-AUSIDOKSSA-N 412.549 4.707 0 40 HJAB C[C@@H]1CCCC[C@@H]1N1C(=O)[C@H](CC(=O)Nc2ccccc2)n2c1nc1ccccc12 248074438 ARQJGEPDWWYSNZ-PBEJRMEISA-N 402.498 4.532 0 40 HJAB CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 257213770 CJALHDUETIJAIH-RDPSFJRHSA-N 418.581 4.605 0 40 HJAB CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)CC(C)C)CC1 257226033 FIWCYGAJIIISCN-UHFFFAOYSA-N 412.599 4.749 0 40 HJAB CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2cc3ccccc3o2)C1)C1CCCCC1 257227121 FNUHHFPIJJFIAV-LJQANCHMSA-N 420.557 4.940 0 40 HJAB O=C(O)CCCC(=O)N1CCC[C@H](Nc2cccc(Cl)c2)[C@@H]1Cc1ccccc1 257287413 PPWLKJVAGARBAH-SFTDATJTSA-N 414.933 4.609 0 40 HJAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3cccc(C(F)(F)F)c3)N2C(=O)C2CCCC2)N1 257292774 QMXRARASAJYLJN-QYZOEREBSA-N 408.464 4.596 0 40 HJAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)COc3ccc(F)cc3)o2)c1 257304786 SNDDYNIIBSFEAO-QFIPXVFZSA-N 424.472 4.546 0 40 HJAB COc1ccc2ccc(OC)c([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)c2c1 260786536 XZQKKJAVHIIOCD-KHIBUBOWSA-N 405.523 4.841 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 408628209 QWEPMMKEOHDCRD-UHFFFAOYSA-N 400.507 4.919 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3C)C2=O)cc1OC 408724832 BIFFYBNVJRDTTR-VCHYOVAHSA-N 418.902 4.772 0 40 HJAB COc1cc2c(cc1OC)[C@H](NC(=O)[C@@H](C)c1ccc(C[C@@H]3CCCC3=O)cc1)CC2 1614475145 QHCBMIKLZYFYHU-XUEUYAKLSA-N 421.537 4.523 0 40 HJAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 1848353970 SFQDQDWHMZDLLF-IBGZPJMESA-N 406.873 4.772 0 40 HJAB Cc1cnc(Nc2cccc(C3CCN(Cc4cnc(C(C)C)nc4)CC3)n2)s1 2037834935 JJZUQTALPPUWJI-UHFFFAOYSA-N 408.575 4.883 0 40 HJAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCC4)c(Cl)c3N2)cc1 674729 JAVAKKPXOILVBX-ZIAGYGMSSA-N 412.843 4.741 0 40 HJAB c1ccc(Cn2c(CSc3nnnn3C3CCCCC3)nc3ccccc32)cc1 792404 QPKSRSJQNLJHDG-UHFFFAOYSA-N 404.543 4.869 0 40 HJAB Cc1c(C)c2ccc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)cc2oc1=O 2147129 BFZHUTDUFVJLEH-FQEVSTJZSA-N 423.465 4.581 0 40 HJAB biogenic Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1-c1ccc(Cl)cc1 2308391 GYRVUTMECSCUHW-UHFFFAOYSA-N 419.916 4.872 0 40 HJAB O=C(COC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)c1ccc(Br)cc1 2316982 GMXNVHGAELXEFW-UHFFFAOYSA-N 421.246 4.700 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)c1c(C)[nH]c2ccccc12 3365773 NODBFBPKFCOWKH-BUHFOSPRSA-N 413.477 4.718 0 40 HJAB CCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OCC 4000170 STBPUGADWSWTMA-FXXWNWNUSA-N 420.553 4.820 0 40 HJAB biogenic COc1cccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2N=CNC2=N3)c1 4291777 GEVQATVEGQLRGU-FGZHOGPDSA-N 414.490 4.561 0 40 HJAB COc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1cccs1)N1N=CNC1=N2 4291782 AZZQMNAVCYDKAF-VXKWHMMOSA-N 414.490 4.561 0 40 HJAB CC(C)COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)OCc2ccccc2)cc1 4526216 BHXVLGBMFYEPKD-HAHDFKILSA-N 419.477 4.829 0 40 HJAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)s1 4555059 RYYIDFBKKGWTET-JOCHJYFZSA-N 411.910 4.717 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 4724002 OPYIVXYFFDIVJI-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB Cc1cc(Br)cc2c1N(CCOc1ccc(C(C)(C)C)cc1)C(=O)C2=O 4784145 LTFCUHWEFTZYEL-UHFFFAOYSA-N 416.315 4.663 0 40 HJAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 5262945 QYIQWKPSBQYTAR-GFCCVEGCSA-N 405.882 4.793 0 40 HJAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5383436 QMBJSIBWORFWQT-MPOANZNHSA-N 404.934 4.752 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)/C=C/c1ccc(Br)o1 5415722 FYOSXYPMNZEHJT-ABGBKTSJSA-N 413.308 4.603 0 40 HJAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc2nc(S[C@H]3C=CCCC3)sc2c1 5664238 LEFZOUDMQFBAFK-OIWPKRNSSA-N 408.548 4.809 0 40 HJAB S=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CCCCC1 6045119 KTKSJPSWGKPKOM-UHFFFAOYSA-N 402.527 4.803 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 6342139 ZKTNKQFPIHJHCP-UHFFFAOYSA-N 412.401 4.612 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CC[C@H]2CCCC[C@H]2C1 7329478 PTPRABSHDNQHCT-MSOLQXFVSA-N 422.554 4.658 0 40 HJAB CC(C)n1c(SCc2nc(-c3ccc(Cl)cc3)no2)nc2ccccc2c1=O 7436914 ZLUGYCLUWSLJAG-UHFFFAOYSA-N 412.902 4.973 0 40 HJAB O=C(N[C@H]1CCOc2ccccc21)c1cn(Cc2ccccc2)nc1-c1cccs1 8029176 SKYKONWWTIGBNC-FQEVSTJZSA-N 415.518 4.914 0 40 HJAB CC1=C(C(=O)Nc2cc(C)ccc2C)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 8369894 AIGCLSSSSHMQAP-SFHVURJKSA-N 404.297 4.877 0 40 HJAB COc1cccc(CNn2c(-c3ccccc3)n[nH]c2=S)c1OCc1ccccc1 8495542 HSQMIXKTJMXOBG-UHFFFAOYSA-N 418.522 4.939 0 40 HJAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(N2C(=O)CCC2=O)cc1 9599503 RDAOMEKTMBXLNB-UHFFFAOYSA-N 420.277 4.509 0 40 HJAB Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)n2)c(C)c1 10253546 UUOZIDUEMHQNJU-UHFFFAOYSA-N 414.552 4.861 0 40 HJAB COc1ccc(SCC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1 10869168 DEQUEJINLXNXIR-INIZCTEOSA-N 414.552 4.609 0 40 HJAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC[C@@H](c2nnc3ccccn23)C1 12323081 RTSMUUHXXIXUPS-LJQANCHMSA-N 423.476 4.557 0 40 HJAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12746295 MFWPQFWXIXVXQK-KRWDZBQOSA-N 407.388 4.724 0 40 HJAB CCCOc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)OCO3)cc1OCCC 12982667 RNGYHDOIKFJRRH-UHFFFAOYSA-N 413.470 4.595 0 40 HJAB O=C([C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1)N1CCCC1 14125586 DECBGYFJAUKRMH-FQEVSTJZSA-N 424.595 4.721 0 40 HJAB Cc1cc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)ccc1Br 15008707 PYEFZCZWJDJHCQ-UHFFFAOYSA-N 416.319 4.640 0 40 HJAB COc1c(Br)cc(Br)cc1CNCCc1ccc(F)cc1 16194487 NUDYRLRFUDMKFR-UHFFFAOYSA-N 417.116 4.692 0 40 HJAB C[C@@]12CC3CC(C(=O)N4CCN(Cc5cccc(Cl)c5)CC4)(C1)C[C@](C)(C3)C2 17082116 KDLXEHZHJJWOSJ-ZPKAHVHTSA-N 400.994 4.981 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)C3CCCC3)CC1)N2 19084103 ZQGPVJSFQPDPIM-DLBZAZTESA-N 408.537 4.600 0 40 HJAB COC(=O)c1cc2cc(NC(=O)c3sc(-c4cccnc4)nc3C)ccc2s1 20030105 ODQTXNSJNZWWQH-UHFFFAOYSA-N 409.492 4.767 0 40 HJAB C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(C(C)(C)C)cc1 20456195 NZZAHUGTRVLXKB-ZDUSSCGKSA-N 408.951 4.500 0 40 HJAB CCc1nn2c(=O)cc(CNc3cc(Cl)ccc3Oc3ccccc3)nc2s1 21698763 MBANYCZKLKWAJB-UHFFFAOYSA-N 412.902 4.771 0 40 HJAB O=S(=O)(Oc1ccc(Cl)c2cccnc12)c1ccccc1OC(F)(F)F 23401044 LUALRJODZKOMOV-UHFFFAOYSA-N 403.765 4.555 0 40 HJAB CC(C)c1noc(CSc2nc3ccccc3c(=O)n2[C@H](C)c2ccccc2)n1 25048386 LWEOTDPLBBUZHK-OAHLLOKOSA-N 406.511 4.805 0 40 HJAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccsc2)N(C)C)o1 25329436 PRJKANJDDZUJFY-FQEVSTJZSA-N 420.538 4.535 0 40 HJAB COc1ccc(CNC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)cc1 31732688 KWKUGJGTRVEDTA-UHFFFAOYSA-N 418.324 4.663 0 40 HJAB COc1cc(C(=O)Nc2ccccc2C(F)(F)F)cc(Br)c1OC 39370695 XGIAIXFAYKUABT-UHFFFAOYSA-N 404.182 4.737 0 40 HJAB COC(=O)c1cc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)ccc1Cl 39757766 ZYIZWGUXMBTHGX-UHFFFAOYSA-N 421.324 4.631 0 40 HJAB CC(=O)Nc1ccc(NC(=O)NCCCSc2ccccc2)c(C(F)(F)F)c1 43949680 BHSDEDWCYIDYCW-UHFFFAOYSA-N 411.449 4.968 0 40 HJAB CN(C)c1ccc(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1 48340184 JFUDETYNVDKMLD-KRWDZBQOSA-N 400.573 4.544 0 40 HJAB O=C(CSc1cc(NCc2ccc(Cl)cc2)ncn1)Nc1ccc(F)cc1F 49006722 AGPHAONSVHCQNK-UHFFFAOYSA-N 420.872 4.751 0 40 HJAB CCCCc1ccc(NC(=O)Cn2c(-c3cccc(F)c3)nc(CC)cc2=O)cc1 57508297 YQUYVKZRHMXFFG-UHFFFAOYSA-N 407.489 4.593 0 40 HJAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 72353913 HNAPBRMDGFWQHA-NRFANRHFSA-N 419.956 4.978 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359639 BYPXDBALDPKGAP-SFHVURJKSA-N 409.892 4.885 0 40 HJAB C[C@H](CN1CCC([C@H](NC(=O)c2ccccn2)c2nccs2)CC1)c1ccccc1 72394617 OXFCDXHDZFOXJJ-GCJKJVERSA-N 420.582 4.525 0 40 HJAB O=C(Nc1sc2ccccc2c1Cl)NC1CCN(CC2(O)CCCCC2)CC1 89866548 UJJYETQUBDPACA-UHFFFAOYSA-N 421.994 4.836 0 40 HJAB O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCC(C(=O)O)(c2ccccc2)CC1 95956902 ZVFQBDIHOGGSLB-UHFFFAOYSA-N 417.530 4.772 0 40 HJAB CCN1C/C(=C/c2cc(Cl)c(O)c(OC)c2)c2nc3ccccc3c(C(=O)O)c2C1 96767623 VZVRDOVUCQWTLP-ZSOIEALJSA-N 424.884 4.677 0 40 HJAB COc1ccc(C2(O)C[C@H]3CC[C@H](C2)N3Cc2c(C(C)C)[nH]c3ncccc23)cc1 100736608 JORVYSRPPYSVKV-RTBURBONSA-N 405.542 4.710 0 40 HJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2OC(F)F)C[C@@H](c2ccccc2O)C1 102623081 CGDBLYUBLXMCFQ-MPBGBICISA-N 424.407 4.650 0 40 HJAB CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCC)nn32)ccc1O 102661418 HEUVIMOXGDTZIZ-SFHVURJKSA-N 414.531 4.802 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 138749238 BDZDFSHEUZJMQI-LLVKDONJSA-N 416.688 4.904 0 40 HJAB COc1ccc(Br)c(C(=O)N2CCS[C@@H](c3ccccc3F)CC2)c1 219078527 LMKYJFSDSWYZBO-GOSISDBHSA-N 424.335 4.917 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4cccnc4)c3C)N21 222674605 DZBPUGZUUOGGIB-UEVCKROQSA-N 417.582 4.923 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1C 222849782 QONCJGXLBGGINC-SFHVURJKSA-N 414.977 4.831 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 222992965 SREOFLZHRCGDEW-FQEVSTJZSA-N 424.585 4.697 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 223082240 DERPUIWQPIULDT-JKSUJKDBSA-N 421.368 4.868 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 224270384 BNFPDNZAOYBXHK-HXUWFJFHSA-N 418.990 4.766 0 40 HJAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 224598571 YXTXYNPKKLQRCK-FGZHOGPDSA-N 404.539 4.881 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 224834479 RIFXWXXLKJFNOY-SFHVURJKSA-N 400.950 4.525 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 225196315 ZGLPBWROADGATQ-NRFANRHFSA-N 400.950 4.606 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 225292578 LZQQHULYZONQAW-JOCHJYFZSA-N 403.526 4.889 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1NC(=O)c1ccccc1 408559441 XCRUGMYWAIMNLH-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 408645227 UIZBURTXPMTLII-INIZCTEOSA-N 404.432 4.822 0 40 HJAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)cc1C 408774012 NSRRIMYQLHTGII-UHFFFAOYSA-N 416.587 4.858 0 40 HJAB O=C(OCc1ccc(Cl)cc1Cl)c1cccc(I)c1 409172447 IIIFAGYTLNKEMO-UHFFFAOYSA-N 407.034 4.955 0 40 HJAB CC1=NN(C(=O)COc2cc(C)ccc2C(C)C)[C@](O)(c2ccc(Cl)cc2)C1 409344066 GNLRNMFTZCFFNI-JOCHJYFZSA-N 400.906 4.604 0 40 HJAB CC[C@@H](C)n1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c2ccccc21 409392477 MUQLDPHIFBNWQD-YSUUHWHMSA-N 401.535 4.999 0 40 HJAB Cc1nc(CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)cs1 1888930382 OOPINLHSCBREDT-UHFFFAOYSA-N 401.539 4.836 0 40 HJAB O=c1oc2ccccc2cc1-c1nnc(Nc2ccc(Br)cc2)s1 652025 WOBGBYHXJCCXPU-UHFFFAOYSA-N 400.257 4.818 0 40 HJAB COc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1OCc1ccccc1Cl 887715 MYKBGMNNPCPVTR-UHFFFAOYSA-N 409.873 4.709 0 40 HJAB CCOC(=O)c1c(NC(=S)NC(=O)C(C)(C)C)sc(C)c1-c1ccccc1 950459 QTHXDXVYOSLPQK-UHFFFAOYSA-N 404.557 4.759 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccccc1 2623735 UOQNPIASMGJKEU-QGZVFWFLSA-N 418.522 4.556 0 40 HJAB O=c1[nH]c(CSc2ccc(Br)cc2)nc2sc3c(c12)CCCC3 3331258 FZRWRSQGVLNACH-UHFFFAOYSA-N 407.358 4.918 0 40 HJAB CC(C)(C)c1ccc(-c2nnc(S[C@H]3CCOC3=O)n2Cc2ccccc2)cc1 3457819 WJOFULYISXFZAC-IBGZPJMESA-N 407.539 4.699 0 40 HJAB Cc1ccccc1OCC(=O)NCCc1sc(-c2ccc(Cl)cc2)nc1C 5136938 LWKCWOUDPJUBKL-UHFFFAOYSA-N 400.931 4.818 0 40 HJAB CC(C)CCn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc2c1=O 5491970 JOJQPCQOKCYPHX-UHFFFAOYSA-N 421.566 4.514 0 40 HJAB O[C@H](COc1ccccc1Cl)Cn1c(COc2ccccc2)nc2ccccc21 5595019 UKPCPKIDZPJAAD-KRWDZBQOSA-N 408.885 4.709 0 40 HJAB CC(C)Cc1ccc([C@@H](C)NC(=O)CSc2nncn2-c2ccccc2F)cc1 6129498 HWWVEIIZVCAUPZ-MRXNPFEDSA-N 412.534 4.574 0 40 HJAB Cc1oc2cc3oc(=O)c(CCC(=O)Nc4nc5ccccc5[nH]4)c(C)c3cc2c1C 6624599 NDIKOTOGBCKLMB-UHFFFAOYSA-N 415.449 4.912 0 40 HJAB biogenic CCN(CC)Cc1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)cc1 6949536 GMZMXRJIFJQIMM-MDWZMJQESA-N 417.347 4.951 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(OCc4ccccc4)cc3)n2)c1 7781102 FJOUKKZATVIJDJ-UHFFFAOYSA-N 413.477 4.896 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2Cl)c1 8058903 HFQVSLQQVWSJQJ-MRXNPFEDSA-N 416.326 4.536 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccccc1F 8203055 AGUNLIUAZMWTGS-UHFFFAOYSA-N 404.898 4.797 0 40 HJAB COc1ccc(-c2cc3ncnc(NCc4ccc(-n5cccn5)nc4)c3s2)cc1 9368542 GBTPETCEIXAGPA-UHFFFAOYSA-N 414.494 4.560 0 40 HJAB Cc1nnc(Sc2nc(-c3cccs3)nc3scc(-c4ccccc4)c23)n1N 9377112 QARSQIJGZZGHFF-UHFFFAOYSA-N 422.564 4.852 0 40 HJAB O=C(CSc1nccn1Cc1ccccc1)N[C@@H](c1ccccc1)c1cccs1 9417631 ZLVVAZDDZSOBPD-QFIPXVFZSA-N 419.575 4.991 0 40 HJAB CC(C)c1ccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 10338060 BHVKPUIDJYAHAD-UHFFFAOYSA-N 402.560 4.512 0 40 HJAB C[C@H](CNC(=O)COc1cccc2ccccc12)c1nc2ccccc2n1C(F)F 10637009 MKRQOXHZHBKWCF-OAHLLOKOSA-N 409.436 4.883 0 40 HJAB O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)c1ccc(C2SCCCS2)cc1 10644188 JLZWJTLOBCNKRG-LJQANCHMSA-N 409.580 4.992 0 40 HJAB O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)Nc1ccccc1Sc1ccccc1 11905525 IQEDAFJYUWZDFY-UHFFFAOYSA-N 423.563 4.531 0 40 HJAB CC(C)Oc1ccc(-c2nonc2NC(=O)c2ccc(Br)cc2)cc1 12111314 SDNNWMNFXSACIO-UHFFFAOYSA-N 402.248 4.539 0 40 HJAB Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)cc1 12181716 YXPZYAXDRKGASW-RSPOEFSDSA-N 416.516 4.533 0 40 HJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCc4sccc4C3)cc12 12213996 BPUDGIWWSCBPNT-UHFFFAOYSA-N 411.527 4.854 0 40 HJAB COc1ccc(Cl)cc1-c1nnc2sc(-c3cc(-c4ccccc4)on3)nn12 12322735 LJIBIIJPZAVDIP-UHFFFAOYSA-N 409.858 4.837 0 40 HJAB COc1cccc(NC(=O)CSc2nc(N)c3c(-c4ccccc4)csc3n2)c1 12324647 YZESUSOHNPEQEP-UHFFFAOYSA-N 422.535 4.680 0 40 HJAB CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)ccc1OC 12814009 FTJHQGXTZRSPNB-UHFFFAOYSA-N 405.376 4.551 0 40 HJAB O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ncc(Cl)c(Cl)c1Cl 12825154 BIPPGCGYVMQUIZ-UHFFFAOYSA-N 422.703 4.838 0 40 HJAB O=C1CCSc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2N1 12927910 KHMKFCSLEZXWEC-UHFFFAOYSA-N 404.491 4.952 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1Cc1cccnc1 12952887 OYHPQNAAFIWMME-HXUWFJFHSA-N 402.837 4.587 0 40 HJAB O=C([C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1)N1CCCC1 14125590 DECBGYFJAUKRMH-HXUWFJFHSA-N 424.595 4.721 0 40 HJAB CCOc1ccccc1-c1nnc(SCC(=O)c2ccc(Br)cc2)[nH]1 14152396 GDHNKMJSOQGMHC-UHFFFAOYSA-N 418.316 4.608 0 40 HJAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 15591129 FVPMQFFQBMXEAZ-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB Clc1ccc(COc2ccc(Br)cc2CNC[C@@H]2CCCO2)cc1 16401773 CAPYPTYHWAKBQX-SFHVURJKSA-N 410.739 4.950 0 40 HJAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(-c2nc3ccccc3s2)cc1 18700253 SZDBAGJZDFSDOM-UHFFFAOYSA-N 415.474 4.900 0 40 HJAB O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)N[C@@H]1CCOc2ccccc21 19316641 POACNHQGJCMGDN-OAQYLSRUSA-N 421.880 4.590 0 40 HJAB FC(F)(F)c1ccc(OCCc2cc([C@@H]3CCCN3Cc3cccnc3)n[nH]2)cc1 19703683 UIJHTFBRCPNETM-NRFANRHFSA-N 416.447 4.782 0 40 HJAB O=C([C@@H]1CCCC[C@@H]1c1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 24363057 BSYVLPMHZUTQQB-VQTJNVASSA-N 405.567 4.919 0 40 HJAB COC(=O)c1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c(F)cc1F 24832124 DKTUMJSVTKYIIV-UHFFFAOYSA-N 422.840 4.710 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cnc2c(cnn2C(C)C)c1 24872314 VZVZARUNZRSXBN-UHFFFAOYSA-N 422.514 4.557 0 40 HJAB O=C(Cc1cccc(F)c1)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 26401804 AYTXOIKFJWHJHV-UHFFFAOYSA-N 402.513 4.947 0 40 HJAB COc1ccccc1CCNC(=O)CSCc1coc(-c2ccc(Cl)cc2)n1 27194253 MTFSKSGEFBUXAE-UHFFFAOYSA-N 416.930 4.596 0 40 HJAB CCN(CC)[C@@H](CNC(=O)c1cc(=O)c2cc(Cl)c(C)cc2o1)c1ccccc1 28292688 STMSUXQPJUYKLE-IBGZPJMESA-N 412.917 4.568 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1Cl 32753492 OFLTWANGWWCIER-UHFFFAOYSA-N 410.832 4.921 0 40 HJAB CCN1CCc2nc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)sc2C1 32969109 HMQWICNZEUDVTF-FQEVSTJZSA-N 409.580 4.993 0 40 HJAB Cc1ccc(F)cc1NC(=O)CSc1nc(N2CCCCC2)nc2ccccc12 33114727 ZGHQGYBKTGXDCH-UHFFFAOYSA-N 410.518 4.798 0 40 HJAB Cc1nccn1-c1ccc(CN(Cc2ccccn2)C2CC(C)(C)NC(C)(C)C2)cc1 36740506 NFJYZFUHHFRLGA-UHFFFAOYSA-N 417.601 4.887 0 40 HJAB O=C(NCCSCc1ccccc1Cl)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38837429 RLKUDEIDOWBVKO-SFHVURJKSA-N 420.981 4.741 0 40 HJAB Cc1cccnc1-n1cccc1CN(CCCn1ccnc1)Cc1cccc(F)c1 43277715 YLAWITFRQWWNTG-UHFFFAOYSA-N 403.505 4.609 0 40 HJAB CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2nc(C)cs2)cc1 58440428 CGWLOLJNEWWFGE-UHFFFAOYSA-N 411.552 4.551 0 40 HJAB Clc1cc2c(cc1CN1CCCC[C@H]1c1nnc(-c3ccsc3)o1)OCO2 72390155 VGHVLLPQXHFUAP-HNNXBMFYSA-N 403.891 4.907 0 40 HJAB CCC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2CN(C)C[C@@H](C)c2ccccc2)C1 72395284 PAQLLIFNTBUBHQ-CTNGQTDRSA-N 418.585 4.914 0 40 HJAB CC(C)Oc1ccc(-c2nc(C(=O)NCc3nnc(C(C)C)s3)cs2)cc1 84631282 XGYJHVGYCBEYND-UHFFFAOYSA-N 402.545 4.502 0 40 HJAB O=C(CCSc1ccccc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607571 KWKDSGZYPLWZBM-UHFFFAOYSA-N 410.461 4.653 0 40 HJAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1cccc2c1ccn2CC(C)C 96118547 SNXAWHZDIFCTBP-UHFFFAOYSA-N 402.498 4.849 0 40 HJAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2cccc(F)c2)C12CCCC2 96344627 MZUSRTBGJMLTSY-HSZRJFAPSA-N 422.544 4.837 0 40 HJAB Cc1cc2ccncc2n1CC1(O)C[C@@H]2CC[C@@H](C1)N2Cc1ccc(OC(C)C)cc1 100146058 OBKXOWDLIRLHFO-GOTSBHOMSA-N 419.569 4.690 0 40 HJAB CCOc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Br 222582608 QZPFBMZQVLDJCL-IGNZVWTISA-N 418.360 4.832 0 40 HJAB C[C@H](C(=O)NCc1ccc(Cl)cc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 222761606 JHIKHHQUXSMNNZ-LJQANCHMSA-N 420.940 4.616 0 40 HJAB CCc1ccc(O[C@@H](CC)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 222889868 OCXHQOFMICVSBA-NRFANRHFSA-N 420.475 4.774 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C 223700207 FTLLBWNJMYGOFB-HSZRJFAPSA-N 424.585 4.714 0 40 HJAB COc1ccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@@H]3C4)CC2)cc1OCc1ccccc1 224086540 ZZVRTZNHXPQCIY-QLBJFCOMSA-N 418.581 4.604 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224643024 JOJUOBBTWRENQH-HXUWFJFHSA-N 424.610 4.953 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 225129781 GLATZSHITFVKOS-RTWAWAEBSA-N 424.585 4.829 0 40 HJAB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(C)n1 225876187 HZHMAUIVSGVOHE-UHFFFAOYSA-N 402.922 4.909 0 40 HJAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(OC(F)F)c4)OCC[C@@]31C2 257223947 DZPPMBJYEXQNMO-SBROKSHESA-N 423.500 4.705 0 40 HJAB Cc1cccc2nc(C(=O)N3CCCC[C@H]3c3ncc(Cc4ccc(F)cc4)o3)cn12 257235657 GYUIAXHJFUVAMP-NRFANRHFSA-N 418.472 4.728 0 40 HJAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 257254041 KBILIJHDADNRNL-RDPSFJRHSA-N 418.581 4.605 0 40 HJAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)cc1 408559271 YWXPYGOZWKCLJS-UHFFFAOYSA-N 420.509 4.896 0 40 HJAB CCOc1ccc([C@@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1OC 408974788 DXTPJDZZDJCDAT-KRWDZBQOSA-N 413.524 4.530 0 40 HJAB COC(=O)CC[C@@H](C)[C@@H]1CC[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 1569989277 GRQROVWZGGDYSW-KQLZVSNCSA-N 406.607 4.566 0 40 HJAB O=c1oc2c(cc(NS(=O)(=O)c3ccc4ccccc4c3)c3ccccc32)s1 645708 FXAFRAPTOFWLQI-UHFFFAOYSA-N 407.472 4.962 0 40 HJAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)c3cccc(Cl)c3)cc2c1 790400 NEWASTAPXNYZPB-UHFFFAOYSA-N 417.896 4.728 0 40 HJAB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccccc1Br 829611 YTOIUMNAQWFMIY-ZROIWOOFSA-N 407.061 4.556 0 40 HJAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=S)NCc3ccco3)C3CCCCC3)cc12 878490 ZEYYOWFCYNKFNR-UHFFFAOYSA-N 423.582 4.947 0 40 HJAB Cc1ccc2cc(CN(Cc3cccs3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 884499 KQQBKUHWEIDNAD-UHFFFAOYSA-N 423.563 4.568 0 40 HJAB COc1ccc(C(=O)[C@@H](OC(=O)c2cc3ccccc3oc2=O)c2ccccc2)cc1 1099282 HUCNDSLMRGOTPC-QHCPKHFHSA-N 414.413 4.583 0 40 HJAB biogenic O=C(c1cccs1)N(C(=S)N1CCN(c2ccccc2)CC1)c1ccccc1 1635190 GHOMTOKRYXRAQH-UHFFFAOYSA-N 407.564 4.502 0 40 HJAB O=C(O)C1(Nc2ccc(-c3ccc(NC4(C(=O)O)CCCC4)cc3)cc2)CCCC1 1686523 YWQKTHJHSYKVRL-UHFFFAOYSA-N 408.498 4.972 0 40 HJAB O=C(NC/C(Br)=C/Br)Nc1c(Cl)cccc1Cl 1697825 XLWKFIOZDRRFQI-XQRVVYSFSA-N 402.901 4.746 0 40 HJAB CC(C)CCNC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2381147 OXMYZZSHTLWPLY-UHFFFAOYSA-N 405.546 4.833 0 40 HJAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)OCc1ccc(Cl)c(Cl)c1 2652251 ZRCWWJZRDBQDRU-UHFFFAOYSA-N 407.080 4.773 0 40 HJAB CCCCCCn1nc(C(=O)Nc2ccc(OC(F)F)cc2)c2ccccc2c1=O 3295397 JVJSIBIXAIJEDY-UHFFFAOYSA-N 415.440 4.831 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1cc(C)nc2ccccc12 3355569 LHCINCNLFSNFAW-UHFFFAOYSA-N 406.482 4.645 0 40 HJAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc(NC(C)=O)c4)sc3n2)cc1 4003614 JXUPJRUIFWSTAB-UHFFFAOYSA-N 420.494 4.591 0 40 HJAB COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccccc3)c3c([nH]c4ccccc34)[C@H]21 4084444 QJGVFTGFUHOFRH-UUOWRZLLSA-N 410.473 4.876 0 40 HJAB biogenic COc1ccc([C@@H](c2c(-c3ccccc3)n(O)c3ccccc23)N2CCOCC2)cc1 4247762 FZNQEUJMJZGYNA-VWLOTQADSA-N 414.505 4.976 0 40 HJAB Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)nc2n1 4523582 MHVMRPJTYMMPFI-MRXNPFEDSA-N 403.511 4.527 0 40 HJAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)n2ncnc2N1 4716134 IJVALCHCFBHUSQ-KRWDZBQOSA-N 400.269 4.513 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccco1 4860400 FFCHLPDCZLSLMW-UHFFFAOYSA-N 408.483 4.527 0 40 HJAB Cc1cccc(OCCCn2c(CCCNC(=O)c3ccco3)nc3ccccc32)c1 5235821 UIQBAJMPDICYAH-UHFFFAOYSA-N 417.509 4.769 0 40 HJAB O=C(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 6147042 RDHHNIXFMXSEDO-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB COC(=O)c1c(NC(=O)CCC(=O)O)sc(C)c1-c1ccc(C(C)(C)C)cc1 6184227 XWTVPGGPNOXYNA-UHFFFAOYSA-N 403.500 4.611 0 40 HJAB COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1OC 6623847 DQFNMTVNENPKAO-UHFFFAOYSA-N 421.449 4.663 0 40 HJAB biogenic O=C(O)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 6863141 GPJVCAWCTLZRCP-OVCLIPMQSA-N 408.262 4.928 0 40 HJAB COC(=O)c1c(CSc2nnc(C)n2-c2ccccc2C)nc2ccccc2c1C 6980776 QPVUWPBQQQTYEC-UHFFFAOYSA-N 418.522 4.820 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2Cl)c1 8058901 HFQVSLQQVWSJQJ-INIZCTEOSA-N 416.326 4.536 0 40 HJAB C[C@@H](OC(C)(C)C)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 8243923 UFJMOCVIPRJMLW-VFNWGFHPSA-N 411.498 4.572 0 40 HJAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(-c2cc3ccccc3o2)cc1 8401982 DXHWOKFEKLMZEH-UHFFFAOYSA-N 405.475 4.902 0 40 HJAB Cc1cc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(C)n1C1CC1 9451388 ZUOXCBLTVMENKJ-NDEHPHGNSA-N 406.526 4.978 0 40 HJAB CCCCc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)cc1 9708886 KMLCATXPPPVVHV-UHFFFAOYSA-N 422.508 4.677 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 10027880 XADJHTKIRFWUCT-UHFFFAOYSA-N 403.482 4.712 0 40 HJAB CC(C)[C@@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cc1F)c1ccc2c(c1)OCCO2 11093827 DFYGRVXFOKNUMH-RNODOKPDSA-N 406.885 4.564 0 40 HJAB Cc1ccc(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c(C)c1 11667122 XYMYJTWLUMWNEO-UHFFFAOYSA-N 403.482 4.597 0 40 HJAB CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 12062727 KOBUCMAEDXYVMM-MRXNPFEDSA-N 409.486 4.973 0 40 HJAB Cc1ccc(NC(=O)Cc2csc(SCC(=O)c3ccc(F)cc3)n2)cc1 12444182 IRKLBXRPXKMJSE-UHFFFAOYSA-N 400.500 4.747 0 40 HJAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)N2CCC[C@H]3CCCC[C@@H]32)o1 12983195 WIQDWFXQZDPGIF-DAYGRLMNSA-N 419.522 4.622 0 40 HJAB COC(=O)c1cc(CSc2nc3scc(-c4cccs4)c3c(=O)[nH]2)oc1C 13115677 NPCKBBVKTNRIGR-UHFFFAOYSA-N 418.521 4.693 0 40 HJAB CN(C(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1 13675330 VHJYDIJOAUUEJZ-RUZDIDTESA-N 416.546 4.780 0 40 HJAB O=C(c1ccccc1OCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 13687414 IDMIJSDQTNTWNN-NTEUORMPSA-N 412.533 4.737 0 40 HJAB Cc1ccc(OCCn2cnc3cc(C)c(C)cc32)c(I)c1 14084397 IGUXCFIDDAQVCR-UHFFFAOYSA-N 406.267 4.645 0 40 HJAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1Sc1ccc(Cl)cc1 14120484 UJFDQMZGIMFLIG-UHFFFAOYSA-N 421.909 4.840 0 40 HJAB CSc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccccc2)cc1 15413318 FDHZHTCFNCNKIZ-QHCPKHFHSA-N 402.519 4.838 0 40 HJAB O=C(NC[C@@H]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1)Nc1cccc(F)c1 16399157 OIXJDXYMRROCCN-HZPDHXFCSA-N 416.472 4.714 0 40 HJAB CCOC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(C)c(C)c3)o2)cc1 17306532 QFCHMJVPLGSNCQ-UHFFFAOYSA-N 410.495 4.866 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1cccs1 19400598 MIDQHRPLLIVPRJ-XMSQKQJNSA-N 409.530 4.666 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1)C1CCCC1 19400685 PGZHCWHVWAKBRQ-AUSIDOKSSA-N 413.512 4.620 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2cccnc2)C1 19449590 PGIHKKGNNIHGLW-RUZDIDTESA-N 419.594 4.770 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)Cn2nc(C)c(C)c2C)n1 19691304 KIVMFSNCZNMVQG-QHCPKHFHSA-N 406.505 4.682 0 40 HJAB CCc1ccc(OCC(=O)N[C@@H](CC)c2ccc(OC)cc2)c(Br)c1 20495158 OHQIJKLPNRYHEI-SFHVURJKSA-N 406.320 4.666 0 40 HJAB CCCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 22355432 DIZHBORILBJMJS-UHFFFAOYSA-N 424.522 4.837 0 40 HJAB Cc1csc(CCNC(=O)[C@@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)n1 24763379 POMUVSXHUJOWAO-INIZCTEOSA-N 419.900 4.919 0 40 HJAB CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3ccccc3Br)oc12 24991140 MJEGUZYOVQSVNY-LBPRGKRZSA-N 424.316 4.634 0 40 HJAB COc1ccc(CN(C)C(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 30946135 APJWMNQQCCPSOV-UHFFFAOYSA-N 421.368 4.873 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 32125347 YXVGPRHNNPRBDP-UHFFFAOYSA-N 400.544 4.565 0 40 HJAB CCC(=O)N(c1nnc(SCc2csc(-c3ccc(C)o3)n2)s1)C1CC1 32328697 JYSMXROZAHIGOM-UHFFFAOYSA-N 406.558 4.761 0 40 HJAB O=C(CN1CCc2ccccc2C1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 35414146 VIBIWNPZPSAQJT-LJQANCHMSA-N 407.564 4.546 0 40 HJAB C[C@H](NC(=O)c1nnn(-c2ccccc2Cl)c1-c1ccncc1)c1ccc(F)cc1 38487887 BOTZCFMRLWGLDV-AWEZNQCLSA-N 421.863 4.613 0 40 HJAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCCCN1CCC[C@H](C)C1 40108841 PLJMGEPXBZWMGI-HNNXBMFYSA-N 421.994 4.536 0 40 HJAB CC(=O)NCc1ccc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)cc1 40157331 NHKRXVCBHWKBKE-QHCPKHFHSA-N 406.913 4.690 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2nnc(-c3ccccn3)s2)cc1 47790207 SJQPUNMQMACLAN-SFHVURJKSA-N 409.515 4.758 0 40 HJAB CC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CC=C(c2ccc(F)cc2)CC1 57613838 VGRXEUYLEKFCRN-NRFANRHFSA-N 409.484 4.585 0 40 HJAB Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2I)cc1 58030939 SLQVXJUUTSSQPJ-UHFFFAOYSA-N 419.184 4.800 0 40 HJAB O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 68740841 GAUNSMMZGGAINB-UHFFFAOYSA-N 405.397 4.737 0 40 HJAB COc1ccc2c(c1)CN(C(=O)Nc1cccc(-c3nc4ccccc4n3C)c1)CC2 72309751 XIWAHCVUQLGICU-UHFFFAOYSA-N 412.493 4.839 0 40 HJAB O=C(COC(=O)c1cc(F)ccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl 72330105 GRSALGHTEJDKGF-UHFFFAOYSA-N 410.150 4.947 0 40 HJAB Cc1ccccc1-n1ccnc1SCC(=O)Nc1cc(Cl)c(N)c(Cl)c1 84247915 BLDAWGRPZUZFBF-UHFFFAOYSA-N 407.326 4.801 0 40 HJAB O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1cc(Br)ccc1F 89883840 AQPUHERNXPJPTJ-UHFFFAOYSA-N 412.262 4.756 0 40 HJAB CCOC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(CCCn2ccnc2)C1 95351686 UQZJCPHVXGCGQM-UHFFFAOYSA-N 419.481 4.510 0 40 HJAB CC1CCN([C@H](C(=O)Nc2nnc(-c3ccccc3F)s2)c2ccccc2)CC1 141591950 VSDWZDVJGDNGRV-IBGZPJMESA-N 410.518 4.756 0 40 HJAB O=C(N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1)C1(c2cccs2)CCCC1 219212398 OGHKARDNEJYYLZ-LJQANCHMSA-N 415.580 4.995 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(N(C)C)cc3)N21 222705638 CKSCOSJHZYSXLO-MQNAVGNWSA-N 417.582 4.918 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCCc1ccc(F)cc1 223508673 DHLGVTHEDBOBIV-JWGURIENSA-N 422.525 4.716 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 223702436 YDZVVPFVKZIMEE-HSZRJFAPSA-N 408.586 4.692 0 40 HJAB Oc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224177127 UBZOBCWDZBFFMD-XZOQPEGZSA-N 412.518 4.755 0 40 HJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1CN1CCCC1 224788037 ZHIPGMLVRMBXQV-DEOSSOPVSA-N 402.538 4.909 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 225009551 MCSMANNOTWDDSE-VQTJNVASSA-N 424.585 4.695 0 40 HJAB Fc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225022873 BOPQTLVTNNYOPK-YADHBBJMSA-N 406.530 4.927 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)N[C@H](C)CC)cc1 225084237 SHWBRFMARQCXED-RTWAWAEBSA-N 408.586 4.822 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 225555171 RQCHBYWBEDJRRC-AVRDEDQJSA-N 414.977 4.913 0 40 HJAB S=C(NC[C@H]1CCCO1)Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1 225909280 USJWLRBSHCRSIY-GOSISDBHSA-N 422.510 4.527 0 40 HJAB Oc1cccc2c1OC1(CCN(Cc3ccnc4ccccc34)CC1)[C@H]1CCCO[C@H]21 257336845 YQGNDCNSJUHVSZ-XUZZJYLKSA-N 416.521 4.835 0 40 HJAB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)N(C)C1=S 409038115 ZNVHMJBRZDDRFY-BOPFTXTBSA-N 421.349 4.992 0 40 HJAB Cc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(Br)cc3)n2C)cc1 409196038 MMDRLNOBHXULOV-VZCXRCSSSA-N 401.329 4.874 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1 409329461 FURAZBSWARDQRP-UHFFFAOYSA-N 403.891 4.595 0 40 HJAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)s1 409338551 LWHRKWNRNFQEMI-LICLKQGHSA-N 400.525 4.855 0 40 HJAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1C 409344672 IADFVSNZZZHCRM-UDWIEESQSA-N 424.522 4.802 0 40 HJAB COc1ccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)c2cccc(O)c2)cc1 585106160 TVGMEQKAKASJRU-UHFFFAOYSA-N 415.489 4.776 0 40 HJAB Cc1cccc(OCc2nc(N3CCC(Cc4ccccc4)CC3)ncc2C(=O)O)c1 585266024 ZLRIDRQGUYSWAJ-UHFFFAOYSA-N 417.509 4.521 0 40 HJAB O=c1c(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cccn1Cc1ccccc1 1212907694 YIDGBPRWOYKVKF-UHFFFAOYSA-N 413.355 4.512 0 40 HJAB COC(=O)c1cnn(-c2cc(Oc3ccc(C)cc3)nc(-c3ccccc3)n2)c1C 632668 LCCNZUQQIUNZSE-UHFFFAOYSA-N 400.438 4.525 0 40 HJAB CC(C)(C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 647016 HOXRFAJAFIGRLR-NEPJUHHUSA-N 400.832 4.725 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 811372 AMIDRLKUOXZBAI-CLCOLTQESA-N 422.484 4.956 0 40 HJAB CC(=O)c1ccc(NC(=O)CSc2nnc3c(C)cc4cc(C)cc(C)c4n23)cc1 929727 HPIUFEQKISDLEH-UHFFFAOYSA-N 418.522 4.741 0 40 HJAB Cc1cc(C)c2cc(CN(Cc3ccco3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 1224441 ACSDQXQVINSPEN-UHFFFAOYSA-N 423.582 4.947 0 40 HJAB COc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1 1254285 QHNZGYWGKROMTG-UHFFFAOYSA-N 407.267 4.824 0 40 HJAB Cc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cc4cccc(C)c4nc3Cl)C2)cc1 1299087 VPLZGKOIDSFGDN-IBGZPJMESA-N 413.930 4.616 0 40 HJAB CCOc1ccccc1NC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 1329197 HUKJYKNRUZSEJZ-UHFFFAOYSA-N 404.495 4.754 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc(O)c1)N(Cc1ccco1)C3=O 2213441 POCDPWQSUHNQJW-HXUWFJFHSA-N 421.836 4.799 0 40 HJAB O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccc(F)cc1 2488862 ACLLGNFXMHFVLU-XMMPIXPASA-N 423.871 4.529 0 40 HJAB O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(F)cc1 3273362 DTMUBUWOIFJHKL-UHFFFAOYSA-N 400.409 4.718 0 40 HJAB Cc1ccc2c(CSc3nc4sc5c(c4c(=O)n3C)CCCC5)cc(=O)oc2c1 3355218 RFRUWCNDGRSNJD-UHFFFAOYSA-N 424.547 4.581 0 40 HJAB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1ccc2ccccc2c1 3504657 VLNGRXZUQWDGHK-UHFFFAOYSA-N 409.441 4.866 0 40 HJAB COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(Br)cc3)nc1-2 3651720 HIQOJEZVTMKYTJ-UHFFFAOYSA-N 415.312 4.932 0 40 HJAB aggregator Cc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 4341642 NEYGIJFFFITVBB-UHFFFAOYSA-N 409.902 4.508 0 40 HJAB CCc1ccc(C(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)cc1 4490751 RZDIOWNFQKPHOX-HNNXBMFYSA-N 412.534 4.566 0 40 HJAB COc1cc(OC)cc(-c2nnc(S[C@@H](C)C(=O)c3ccc4c(c3)CCC4)o2)c1 5435342 GXOUIZOHWGEOPQ-ZDUSSCGKSA-N 410.495 4.606 0 40 HJAB CC(C)Oc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 5690080 XHKLKSQZJRXRFJ-IBGZPJMESA-N 401.532 4.893 0 40 HJAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccccc1Cc1ccccc1 6035352 MPUYWXLOGXIRHY-UHFFFAOYSA-N 406.536 4.855 0 40 HJAB CC(C)=CCc1c(O)cc2c(c1C)OC(=O)c1c(C)c(Cl)c(O)c(CO)c1O2 6068808 AINFZKIGIQBKDM-UHFFFAOYSA-N 404.846 4.694 0 40 HJAB endogenous,in-man O=C(O)c1cccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)c1 6526486 CASYBDRWTNRQQJ-UHFFFAOYSA-N 401.462 4.653 0 40 HJAB CCOc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1 6554299 HUULTTHZZLODHH-UHFFFAOYSA-N 405.932 4.784 0 40 HJAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(Cl)c(C(F)(F)F)c1 6836812 JJRSIRZMJIYINZ-UHFFFAOYSA-N 403.769 4.733 0 40 HJAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(OCc2cscn2)cc1 8269314 FVXAHNFWFHXURE-UHFFFAOYSA-N 421.566 4.638 0 40 HJAB COC[C@@H](C)n1c(SCc2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 9216757 VNICDVRZCNLCNE-CYBMUJFWSA-N 408.445 4.915 0 40 HJAB O=C(Cc1cn2ccsc2n1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 11520978 DJEDEGXURVAIAT-UHFFFAOYSA-N 423.350 4.931 0 40 HJAB COc1ccc(-n2nnc3c(SCc4ccc(C(F)(F)F)cc4)ncnc32)cc1 11758694 ZGICXGYPAXMNJF-UHFFFAOYSA-N 417.416 4.530 0 40 HJAB Cc1ccc(O)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(CCCOC(C)C)C3=O)c1 11914978 KFQOOACZICENKI-QHCPKHFHSA-N 423.488 4.590 0 40 HJAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)[C@H](C)n2nc(C(F)F)cc2C)n1 12227895 JVHYAUKRSSNQMA-SWLSCSKDSA-N 410.515 4.617 0 40 HJAB FC(F)(F)c1nc(NCc2cccs2)c2nnn(Cc3ccccc3Cl)c2n1 12881111 YNMDWBFUDFYDIM-UHFFFAOYSA-N 424.839 4.615 0 40 HJAB O=C1S/C(=C\c2ccccc2F)C(=O)N1CNc1ccccc1Br 13573971 CNZYTABPLXKUAK-DHDCSXOGSA-N 407.264 4.694 0 40 HJAB O=C(CN1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 13778848 ARYCMISIZKOYJP-MDNUFGMLSA-N 416.924 4.786 0 40 HJAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 14117493 AVHCDXNEQHWPHT-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB Cc1cccc(OCc2nc3ccccc3n2C[C@H](O)COc2cccc(C)c2C)c1 15860771 VWSPGULONQHNJB-NRFANRHFSA-N 416.521 4.980 0 40 HJAB CCc1cccc(CC)c1NC(=O)CN(CC)S(=O)(=O)c1ccc2ccccc2c1 16162323 JQZRSBRQLVTWAE-UHFFFAOYSA-N 424.566 4.614 0 40 HJAB Cc1[nH]nc2c1[C@@H](c1ccccc1)c1c(ncn3nc(-c4ccccc4Cl)nc13)O2 17090132 JFMYGKRTCNBCQT-QGZVFWFLSA-N 414.856 4.762 0 40 HJAB Cc1cccc2c(-c3ccncc3)c([C@@H]3CCCN(C(=O)[C@H](C)N4CCCC4)C3)[nH]c12 19236512 YFAWISKYCNSWKX-PZJWPPBQSA-N 416.569 4.729 0 40 HJAB Cc1noc2nc([C@@H]3CCCN(C(=O)c4cc(C(C)C)on4)C3)cc(C(F)(F)F)c12 19564091 AGGQXRHWONCQKH-GFCCVEGCSA-N 422.407 4.681 0 40 HJAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2cccc3cccnc23)C1 19702211 KXZDMDMWAREAJA-KRWDZBQOSA-N 416.550 4.536 0 40 HJAB O=C(NCCC1=CCCCC1)C1CCN(c2ncnc3c2oc2ccccc23)CC1 21363564 KZVBKMHHQOARHS-UHFFFAOYSA-N 404.514 4.599 0 40 HJAB CCOc1ccccc1Nc1nnc(SCCC(=O)Nc2ccccc2F)s1 24830294 IXPQTNYNBHSUFL-UHFFFAOYSA-N 418.519 4.940 0 40 HJAB CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(Cc1ccco1)[C@H]3c1ccccc1 27460248 HZLSJVIGJLKQAX-NRFANRHFSA-N 401.418 4.530 0 40 HJAB Nc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc3c(c(C(F)(F)F)c12)CCCC3 35326264 YDVFAWLEFXCESU-UHFFFAOYSA-N 420.412 4.736 0 40 HJAB CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)CSc2ccccc2Cl)cc1 36772172 OOBNUCATAWXVJK-UHFFFAOYSA-N 419.930 4.843 0 40 HJAB C[C@@H]1CCc2c(sc3ncnc(Sc4nnc(-c5cccnc5)n4C4CC4)c23)C1 40019905 VYWPOLRPNSYDLN-GFCCVEGCSA-N 420.567 4.956 0 40 HJAB O=C(Nc1ccc2c(c1)OCCCO2)c1cccnc1SCc1ccc(F)cc1 40130175 FQEFPGZFUQMBRH-UHFFFAOYSA-N 410.470 4.927 0 40 HJAB CC(=O)Nc1ccc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1 40132574 KGTGTHONQMEMGS-UHFFFAOYSA-N 421.545 4.507 0 40 HJAB CCc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4cccc(SC)c4)C3)sc2c1 40160300 WPOFBOPIAHOLHN-AWEZNQCLSA-N 411.552 4.572 0 40 HJAB CCCN(Cc1cc(=O)[nH]c2c(OC)cccc12)C(=O)Nc1ccc(C)cc1Cl 41089905 JMGYJXPRVQQZRD-UHFFFAOYSA-N 413.905 4.943 0 40 HJAB Cc1ccc(-c2cnc(SCC(=O)Nc3nnc(C)s3)n2-c2ccccc2)cc1 44086051 MKCFLTKBSUWKHK-UHFFFAOYSA-N 421.551 4.738 0 40 HJAB Cc1cc(NC(=O)c2cccnc2N(C)C)n(-c2cc(C(F)(F)F)ccc2Cl)n1 58803293 WZORCVBYPTYGDP-UHFFFAOYSA-N 423.826 4.566 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(F)c(F)c3)oc12 67293549 SZGSABDNBXBOJT-ROMGYVFFSA-N 407.376 4.599 0 40 HJAB O=C(NCCCC(=O)N1CCC[C@@H]1Cc1cccc2ccccc12)c1ccsc1 69927376 OWEMQZMNLHGIII-OAQYLSRUSA-N 406.551 4.645 0 40 HJAB O=C(c1cccc2cccnc12)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 72375334 DYOIZGAMNLFDAM-SFHVURJKSA-N 401.495 4.807 0 40 HJAB O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)N1CCC[C@]2(CC=CCC2)C1 95959756 PKGFQODUMRFGKZ-UXHICEINSA-N 424.488 4.785 0 40 HJAB Cc1cccc(NC(=O)[C@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)c1C 96037507 GMYNCBZSDRQDRS-XMMPIXPASA-N 402.542 4.819 0 40 HJAB Cc1ccc(CN2CCC(c3cc4c(ncn4C(C)C)c(N4CCCC4)n3)CC2)o1 96099994 PNTIUCACTHGTFY-UHFFFAOYSA-N 407.562 4.893 0 40 HJAB O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 96627143 KSADTDJAKGKPIJ-QGZVFWFLSA-N 410.867 4.887 0 40 HJAB CCOc1cc2c(cc1/C=C1/CCn3c1nc1cc(Cl)ccc1c3=O)O[C@@H](C)C2 96759093 UBIXQRATYLOLAA-GFAPJHNFSA-N 408.885 4.716 0 40 HJAB COc1ccc(CN2C(=O)/C(=C\Nc3cccc(Cl)c3)c3ccccc3C2=O)cc1 105008932 MVTKJPAZHDYBKM-HMAPJEAMSA-N 418.880 4.984 0 40 HJAB O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1Cc1ccc(F)cc1 214246365 JUCDEUJXVFPYNX-OVCLIPMQSA-N 408.248 4.530 0 40 HJAB CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1)S(=O)(=O)CC 222399603 ZEOZQLAXELKLIC-KRWDZBQOSA-N 416.587 4.651 0 40 HJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccccc2)c1C 222871325 IBDASTSXEBFOSY-DHIUTWEWSA-N 404.583 4.931 0 40 HJAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C 223417631 RVUSRTZKKYHUDH-GOTSBHOMSA-N 420.582 4.701 0 40 HJAB Cc1ccccc1CN(C(=O)CCSc1ccccc1)[C@@H](C)C(=O)NCC(C)C 224113604 QPWQLJLYOZWPAJ-FQEVSTJZSA-N 412.599 4.667 0 40 HJAB COc1ccc(CCNC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)cc1 224190794 PRUVGMDEARZLBY-UHFFFAOYSA-N 419.521 4.872 0 40 HJAB Cc1ccc(CN(C(=O)Cc2c(F)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 224206765 FPDJNYSIDNNSHZ-KRWDZBQOSA-N 418.940 4.520 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224305105 GUPXTIOTDBUKGB-UHFFFAOYSA-N 422.550 4.943 0 40 HJAB Cc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224729742 METOGGRXKAAYTE-NRFANRHFSA-N 422.569 4.548 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)cc1 224758478 RECNBGDCJDKBCY-OAQYLSRUSA-N 406.570 4.712 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 225212627 HIZRBRRRGZAMLZ-ZWKOTPCHSA-N 416.562 4.640 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)cc1 225535581 OCRLNXLRZMKDLU-QGZVFWFLSA-N 418.990 4.682 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 225584594 HSJWJTPNPGALCN-GMAHTHKFSA-N 424.585 4.713 0 40 HJAB CC[C@H](NC(=S)Nc1cccc(Br)c1)c1ccc(OC)c(OC)c1 225718070 IFTCNWCYQUGGIH-HNNXBMFYSA-N 409.349 4.904 0 40 HJAB Cc1cc(C)c(NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)c1 225981973 YESRBIDCHFPONM-UHFFFAOYSA-N 422.550 4.618 0 40 HJAB O=C(c1ccc(Cl)c(Cl)c1)N1CCC(Oc2cccc3cccnc23)CC1 238816324 BNZSHEXBQHPSBE-UHFFFAOYSA-N 401.293 5.225 0 40 HJAB COc1cccc(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1 408628115 ULELXIPBTVFTIT-UHFFFAOYSA-N 405.878 4.883 0 40 HJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 408645229 UIZBURTXPMTLII-MRXNPFEDSA-N 404.432 4.822 0 40 HJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)c1 409167168 HFJKZMFEHWEHFD-LZYBPNLTSA-N 421.305 4.977 0 40 HJAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(Br)c(Cl)c1 409177812 HQCIPCNXOKXDNJ-UHFFFAOYSA-N 413.724 4.792 0 40 HJAB O=C(COc1ccc(C(=S)N2CCCC2)cc1Cl)Nc1ccccc1Cl 409229529 QPNBVJOKYXSCRQ-UHFFFAOYSA-N 409.338 4.782 0 40 HJAB CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)c1 612118276 HRZYFMPAXPYCLS-UHFFFAOYSA-N 423.534 4.916 0 40 HJAB CCn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1cccc(C)c1 925358 KLDZACVNZGECSG-UHFFFAOYSA-N 415.950 4.603 0 40 HJAB CCOC(=O)c1c(NC(=O)Nc2ccc(OC)cc2)sc2c1C[C@@H](C(C)C)OC2 1246522 PBQBWKFGTYUJTE-INIZCTEOSA-N 418.515 4.675 0 40 HJAB O=C(C1CC1)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2nc1Cl)OCO3 1367928 KPCOIZQYKCFYEG-UHFFFAOYSA-N 412.848 4.695 0 40 HJAB CCCn1nc(NC(=O)c2ccc(OC)c(OC)c2)c2cc3cccc(C)c3nc21 2406981 IPPWBLBNWSUGLT-UHFFFAOYSA-N 404.470 4.572 0 40 HJAB O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1Cc1ccccc1 2697246 ZXGXYSXCGNSPCB-DEOSSOPVSA-N 412.518 4.709 0 40 HJAB CCOc1ccccc1Nc1nnc(SCC(=O)c2ccc(F)c(F)c2)s1 2725835 HFHMKHXBYMYBEM-UHFFFAOYSA-N 407.467 4.934 0 40 HJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(I)cc1 2740549 UPUNOYGHWFWPAU-NSHDSACASA-N 415.658 4.659 0 40 HJAB CC(C)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccccc4)CC3)o2)cc1 2752672 SYCSWYWEOUXEES-UHFFFAOYSA-N 404.510 4.944 0 40 HJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc(OCc2ccccc2)cc1 3406630 GWZSZWXWDXJNNU-UHFFFAOYSA-N 416.506 4.782 0 40 HJAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccc(Br)c3)NC(=O)CCN21 4000116 PTPVBKZWRVAAOO-XBFAEUMISA-N 411.343 4.785 0 40 HJAB biogenic COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cccc(C)c2)cc1 4518143 VUXPLOVAMHACPA-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(O)cc2)n2c(nc3ccccc32)N1 4735677 TZIJLPMXDALJIU-QHCPKHFHSA-N 410.477 4.978 0 40 HJAB COc1ccc(Cl)cc1C(=O)NCCc1sc(-c2cccc(F)c2)nc1C 5137084 OSEOFIDOBYHFCF-UHFFFAOYSA-N 404.894 4.892 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCc4ccccc43)c2)cc1 5885457 NIXTUWBTEKWHOM-HSZRJFAPSA-N 420.534 4.603 0 40 HJAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N[C@H](C)c1ccc(F)cc1 6549780 PQPLQQUUAPCSMH-HUUCEWRRSA-N 410.518 4.642 0 40 HJAB CCOc1ccccc1CN1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 6790962 FQWIETFSWUKQHB-RUZDIDTESA-N 420.597 4.779 0 40 HJAB COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(C)c(C)c1 6913967 LMKOXBDKIBJJRU-UHFFFAOYSA-N 401.509 4.619 0 40 HJAB CC(=O)N1C(=N)S/C(=C/c2cc3ccccc3nc2Sc2ccccc2)C1=O 7039487 NFHVMBOGDOSWEG-NLUKZUHQSA-N 405.504 4.784 0 40 HJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 7382100 FJWBYDINFUVWLJ-FQEVSTJZSA-N 406.448 4.520 0 40 HJAB Cc1ccccc1-n1nnnc1Sc1c(-c2ccccc2)c2ccccc2[nH]c1=O 8215857 WGCKMCNDFPDRLG-UHFFFAOYSA-N 411.490 4.630 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5cc4OC)cc3n2)cc1 8448801 JYSXSWJSVIQCAS-UHFFFAOYSA-N 424.460 4.843 0 40 HJAB Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)c1 8915457 SAHLWRDBRKFHBQ-LJQANCHMSA-N 408.325 4.888 0 40 HJAB COc1cccc(C(=O)Nc2nn(CC(C)C)c3nc4ccc(OC)cc4cc23)c1 9329415 KESGPVDMFZBPJG-UHFFFAOYSA-N 404.470 4.510 0 40 HJAB CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc21 10971998 LSYPADVTADDIBW-UHFFFAOYSA-N 400.478 4.987 0 40 HJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccccc2Cl)cc1 11117020 ZUZALZQOZIDTNT-WOJBJXKFSA-N 413.930 4.856 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1 11160376 RZQOMVPVCWGOJM-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSCc1ccc(C)cc1 12852302 GRGQINSOBWIJHW-UHFFFAOYSA-N 424.488 4.734 0 40 HJAB COc1ccccc1-n1cnnc1S[C@@H](C(=O)Nc1ccccc1)c1ccccc1 12939892 IBUFRMNGQLOGLL-OAQYLSRUSA-N 416.506 4.748 0 40 HJAB CC[C@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O 13712598 AXTSPDZWURPWBW-LJQANCHMSA-N 422.978 4.955 0 40 HJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 13998010 NNOCUBUWNDWQKR-OVCLIPMQSA-N 424.497 4.895 0 40 HJAB COc1ccc([C@H](NCCS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 14095691 VSSJFHVNFXZJMU-JOCHJYFZSA-N 415.942 4.502 0 40 HJAB S=c1oc(-c2cccnc2)nn1CN1CCc2sccc2[C@@H]1c1cccs1 14182893 GBLIURWFNHTNIG-QGZVFWFLSA-N 412.565 4.996 0 40 HJAB O=C1c2cccc3cccc(c23)C(=O)N1NC(=S)Nc1cc(Cl)cc(Cl)c1 15150911 QRPMAOQQQISHRM-UHFFFAOYSA-N 416.289 4.644 0 40 HJAB COc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4Cl)nccn3n2)cc1 16954732 FFUUNTXFRBAWRB-UHFFFAOYSA-N 424.913 4.789 0 40 HJAB Cc1ccc(-c2ccccc2CC2(C(=O)NC3CCN(C)CC3)CCOCC2)c(C)c1 19132871 CKZSKTABDOJKAX-UHFFFAOYSA-N 420.597 4.520 0 40 HJAB S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 19815066 XEHPFQGYJFBRMW-UHFFFAOYSA-N 403.551 4.994 0 40 HJAB CCC(=O)c1ccc(OCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)cc1 21179573 SFDBLLXVAKDJRF-QFIPXVFZSA-N 401.462 4.825 0 40 HJAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C)c(C)c2)CC1 21577985 LGIPKLOLDYEPPA-UHFFFAOYSA-N 413.949 4.658 0 40 HJAB COc1ccccc1CC(=O)N(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1 22227780 LREOSBLWGJFZJG-IBGZPJMESA-N 416.521 4.986 0 40 HJAB CCc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCCCC2)cc1 22573974 HLUURBNOWMXGEZ-UHFFFAOYSA-N 410.539 4.629 0 40 HJAB CCc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(OC)cc4)cc23)cc1 23119129 ZBQMANKGLNODJM-UHFFFAOYSA-N 418.522 4.698 0 40 HJAB CCc1ccc(O[C@@H](C)C(=O)NCCc2csc(-c3ccc(OC)cc3)n2)cc1 27994937 XRCWONTYNOQUMS-INIZCTEOSA-N 410.539 4.507 0 40 HJAB Cc1ccc(CNC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)cc1 32579133 TUWQSTPNBZRATF-UHFFFAOYSA-N 413.477 4.862 0 40 HJAB COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N(C)C)no2)cc1 32623080 JLXSBEUTDPITEN-JOCHJYFZSA-N 421.541 4.680 0 40 HJAB C[C@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)N1CCc2ccccc21 32868664 VVNHYEJKCAKCKC-HNNXBMFYSA-N 401.491 4.960 0 40 HJAB O=C(COc1cc(-c2ccccc2)nc2ccc(F)cc12)Nc1ccc2c(c1)OCO2 32985807 TYXHUHDRRAMGJR-UHFFFAOYSA-N 416.408 4.787 0 40 HJAB O=C(Cc1csc(COc2ccccc2)n1)Nc1cccc(Br)c1 33326310 XUSTYNHQRGCJOJ-UHFFFAOYSA-N 403.301 4.666 0 40 HJAB CCOc1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 33714161 DXSWMNINNXBTCY-TWRVUUBYSA-N 411.615 4.677 0 40 HJAB Cc1ccc(-c2nc3c4ccccc4n(CC(=O)c4ccc(C)cc4C)c(=O)n3n2)cc1 35510888 VEGUFQLQDSFPTC-UHFFFAOYSA-N 422.488 4.519 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CSCc1ccc(Cl)s1 40005383 ZKKWGHYIWJZPOG-UHFFFAOYSA-N 405.976 4.538 0 40 HJAB CCOc1cc(/C=C/C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)ccc1OC 40146843 WYDGANFEPVFWJP-FYWRMAATSA-N 419.525 4.588 0 40 HJAB Cc1cc(OCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc(C)c1Cl 44874962 SHIMXIMYQFITPH-UHFFFAOYSA-N 400.950 4.638 0 40 HJAB Fc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)cc1 49155482 VWWQZFKDDGOMIA-NRFANRHFSA-N 401.445 4.670 0 40 HJAB biogenic,in-vitro CCOc1ccc(-c2nc(C[S@](=O)Cc3cccc(OC)c3)cs2)cc1OC 58129624 BDQBGVYUYNGTSE-NDEPHWFRSA-N 417.552 4.675 0 40 HJAB Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(Sc2nncs2)cc1 71940271 KTAXNDBHSLNRNL-UHFFFAOYSA-N 400.510 4.967 0 40 HJAB Cc1nc(NCC2(c3cccc(F)c3)CCOCC2)cc(-c2cc(C(C)C)n[nH]2)n1 72373309 CMJZTBOMGACIPV-UHFFFAOYSA-N 409.509 4.598 0 40 HJAB COc1ccc(C2(O)C[C@@H]3CC[C@H](C2)N3Cc2c(C(C)(C)C)[nH]c3ncccc23)cc1 72393634 LQNOUHLSVPDEEH-ULZZTYQWSA-N 419.569 4.884 0 40 HJAB COc1cc(CNC(=O)COc2cccc(C)c2C)ccc1OCc1ccccc1F 72427739 AHVBKCXXDSHNAA-UHFFFAOYSA-N 423.484 4.725 0 40 HJAB COc1ccc(OC[C@@H](O)Cn2c(Cc3ccc(Cl)cc3)nc3ccccc32)cc1 82087070 YIFFKYKOSGYNPQ-IBGZPJMESA-N 422.912 4.729 0 40 HJAB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2/N=C(c3ccccc3)OC2=O)cs1 96634898 AHXVXZAXHPIMNQ-WOJGMQOQSA-N 423.881 4.826 0 40 HJAB Cc1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1Cl 96817277 JDNMFVPUMHIQFK-CPNJWEJPSA-N 405.845 4.532 0 40 HJAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C(=O)N1CCc1ccccc1 100822711 NMCHFINFRORNIA-XPGKHFPBSA-N 407.513 4.968 0 40 HJAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)c1C 103718281 WTNFHLXZJSBSOY-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)Nc1cccc(C(F)(F)F)c1 104568251 ROXRWSHQLSVJPG-NYYJTOMGSA-N 415.839 4.765 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 216411669 AXWMWJLFTXZRKM-UHFFFAOYSA-N 400.478 4.678 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 219998992 YANWPBOURDZXSS-UHFFFAOYSA-N 414.571 4.791 0 40 HJAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 220891466 QZUHBQHZMKCJPC-KRWDZBQOSA-N 418.522 4.684 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 222489328 BAOTWPUNHINALE-DEOSSOPVSA-N 424.585 4.794 0 40 HJAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc(N2CCCC2=O)c1 222964830 JIPTZYOHQWZIIF-UHFFFAOYSA-N 418.880 4.950 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C 223016222 XVWWAPSDBRJEQN-FQEVSTJZSA-N 402.922 4.830 0 40 HJAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc34)ccc21 223115759 DLMFPFVECIIPPQ-UHFFFAOYSA-N 421.522 4.819 0 40 HJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)ccc1Br 224917655 OMHVYOSTQKLKMT-MSOLQXFVSA-N 414.328 4.923 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 225054292 OXTCFVBGKNULCH-PMACEKPBSA-N 412.599 4.728 0 40 HJAB O=C1CCCN1c1cccc(NC(=S)NCCSCc2ccccc2Cl)c1 225297507 NNNHXALRGCOZDN-UHFFFAOYSA-N 420.003 4.687 0 40 HJAB Cc1ccccc1-c1noc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)n1 225829351 BYFONEIHMPSHJT-UHFFFAOYSA-N 408.527 4.853 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1Cl 225866681 XAGXWQPYRSZXRK-UHFFFAOYSA-N 403.935 4.668 0 40 HJAB COc1ccc(-c2nnc(NC(=O)COc3cc(C)c(Cl)c(C)c3)s2)cc1 225878383 YPRFWYPCWFAKRQ-UHFFFAOYSA-N 403.891 4.501 0 40 HJAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257227957 FRTALUYYXUBYAO-IBGZPJMESA-N 415.468 4.973 0 40 HJAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)N[C@@H]4CCCOC4)CCOCC3)cc2)c1 257297436 RHFVFLIIKNOPHP-XMMPIXPASA-N 407.554 4.605 0 40 HJAB CC1=C(C(N)=O)[C@H](c2cccc(Cl)c2Cl)NC(SCc2ccc(F)cc2)=N1 408987181 DYFZYLXJQMLXGJ-KRWDZBQOSA-N 424.328 4.826 0 40 HJAB COc1ccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1Cl 511550935 IFVSXNSTUJVBMC-UHFFFAOYSA-N 406.954 4.933 0 40 HJAB Clc1ccc2ncc(-c3cccc([C@@H]4CCCN(Cc5cccnc5)C4)n3)n2c1 585263017 VSPDOXKUEUSWPD-GOSISDBHSA-N 403.917 4.824 0 40 HJAB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cc(-n2cnnc2)ccc1Cl 679784 LAAMPAUEFRHAQM-UHFFFAOYSA-N 415.840 4.981 0 40 HJAB O=C(Nc1cccc(Br)c1)/C(=C/c1ccco1)NC(=O)c1cccs1 709038 QBBYWHWSPMTEME-PTNGSMBKSA-N 417.284 4.513 0 40 HJAB Cc1nc(-c2cc3cc(Br)cc(Br)c3oc2=O)cs1 846057 KMSJUYVFHALBTB-UHFFFAOYSA-N 401.079 4.750 0 40 HJAB Cc1cc(C)c2[nH]c3nc(SCC(=O)Nc4ccc(C)c(Cl)c4)nnc3c2c1 976833 RVLBRGCVTYVAPF-UHFFFAOYSA-N 411.918 4.816 0 40 HJAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(C)cc2)cc1 1081015 OBLJLMZXTHHRCG-UHFFFAOYSA-N 410.477 4.994 0 40 HJAB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1cccc(Cl)c1Cl 1262500 LVXOJXRSOWORER-UHFFFAOYSA-N 400.287 4.869 0 40 HJAB COC(=O)CCCCCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 2062958 XOHMITCKJZXFMM-UHFFFAOYSA-N 413.084 4.630 0 40 HJAB Cc1cccc(-n2c(SCC(=O)c3cc(C)n(C)c3C)nc3ccccc3c2=O)c1 2634235 GMUUFWVMUNGCTP-UHFFFAOYSA-N 417.534 4.624 0 40 HJAB Cc1ccc(-n2c(S[C@H]3CCOC3=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2638804 JFYGEQRUDPOXIX-IBGZPJMESA-N 407.539 4.948 0 40 HJAB COc1cccc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)c1 3244866 BOIJGXHGKMOAKD-UHFFFAOYSA-N 418.474 4.767 0 40 HJAB COc1cccc(NC(=O)CSc2nnc(Nc3c(C)cccc3C)s2)c1 3263275 PJHAQNMELLBRMY-UHFFFAOYSA-N 400.529 4.638 0 40 HJAB O=C(COC(=O)Cc1cccc2ccccc12)NC(c1ccccc1)c1ccccc1 3290697 NRJKHYVKELNQMK-UHFFFAOYSA-N 409.485 4.831 0 40 HJAB CN(C)CCCN(C(=O)c1ccc2ncsc2c1)c1nc2c(F)cccc2s1 4359782 LUNGCGROUATPDJ-UHFFFAOYSA-N 414.531 4.644 0 40 HJAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 4518034 CQVRJKDPKAYZNI-UHFFFAOYSA-N 408.504 4.619 0 40 HJAB COc1ccc(Br)c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 6342024 AYKHBTGTVFHNOV-UHFFFAOYSA-N 407.264 4.973 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 6993932 AHONIIJZDUPJIY-UHFFFAOYSA-N 405.435 4.755 0 40 HJAB CCc1ccc(N2C(=O)CS[C@]23C(=O)N(Cc2ccccc2)c2ccccc23)cc1 6997078 LGVSCJVUAJHSSG-RUZDIDTESA-N 414.530 4.729 0 40 HJAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)CC2=O)cc1 7882333 LXQRDYZLYRXAOX-GOSISDBHSA-N 416.477 4.788 0 40 HJAB CN(Cc1ccco1)C(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 8314356 IDEKNEILFGISPI-UHFFFAOYSA-N 410.543 4.659 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)cc1 8810043 UTWLADQWORTJNJ-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(Br)c3)ccc21 9137052 NGXNTJMJRFFHDS-UHFFFAOYSA-N 401.304 4.781 0 40 HJAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)C3CCCCC3)ccc21 9169497 XMKNVYRIEUPJHK-UHFFFAOYSA-N 422.591 4.559 0 40 HJAB Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)NC2CCCCC2)n1 9250083 ARIUQMFIGIWCTJ-UHFFFAOYSA-N 411.571 4.800 0 40 HJAB CN(Cc1ccco1)C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 9512436 BHDUICCYDDWMEI-UHFFFAOYSA-N 416.506 4.549 0 40 HJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](Sc1ncn[nH]1)c1ccccc1 9725654 SLGQYXOJNHEZBB-CQSZACIVSA-N 412.824 4.949 0 40 HJAB COc1ccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@@H]2c2ccc(C)cc2)cc1 10059784 YVWBZGLDWIYNMC-DNQXCXABSA-N 424.504 4.976 0 40 HJAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2 12249807 WOHOZRHTZRJDNF-UHFFFAOYSA-N 424.425 4.928 0 40 HJAB Cc1ccc2[nH]c3nc(SCCCC4(c5ccc(F)cc5)OCCO4)nnc3c2c1 12487107 QGVXZSMQLJKEPG-UHFFFAOYSA-N 424.501 4.726 0 40 HJAB CSCC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1nc2ccccc2[nH]1 12546428 MVBJPCAAQMDHQS-KSSFIOAISA-N 417.962 4.903 0 40 HJAB C[C@@H](OC(=O)/C=C/c1cc2ccccc2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 12795605 YIWMNSANHQYLCK-WSYSLRRZSA-N 403.478 4.653 0 40 HJAB CC(C)Cc1ccc([C@@H](C)NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)cc1 12926401 BFLNHQMPZNULHZ-MRXNPFEDSA-N 410.539 4.572 0 40 HJAB CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 13783491 QMBJSIBWORFWQT-UMNIPNIZSA-N 404.934 4.752 0 40 HJAB CSc1cccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c1 14068094 BIJISXZXRMGLQL-UHFFFAOYSA-N 404.491 4.577 0 40 HJAB COc1cc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc(OC)c1OC 15511260 TXJWUEUMOBRWDH-UHFFFAOYSA-N 416.477 4.968 0 40 HJAB O=c1oc2c3c(c(Cl)cc2c2c1CCCC2)OCN(CCc1ccccc1F)C3 20412245 VGCOTFFMYVQIHN-UHFFFAOYSA-N 413.876 4.859 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 20494534 ZKPSWWHFPKHNBA-UHFFFAOYSA-N 414.505 4.987 0 40 HJAB O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCC1)c1cc(-c2ccccc2)on1 21805378 CLMHWLJISKMDTP-OAQYLSRUSA-N 409.917 4.952 0 40 HJAB CCn1cc(C(=O)N[C@H](C)c2cccc(Br)c2)c(=O)c2cc(C)ccc21 22234795 HWYIPQKXWMUNFV-CQSZACIVSA-N 413.315 4.583 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(NCc2ncc(-c3ccc(Cl)cc3)o2)cc1 24983426 VYQSCLCZMOKCJQ-UHFFFAOYSA-N 419.934 4.638 0 40 HJAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCC4CCCCC4)cc3)n2)cc1 32579058 ZZRPJUXUUKDHHD-UHFFFAOYSA-N 405.498 4.787 0 40 HJAB Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCC[C@H](C)C3)c(O)n2n1 36066076 OPVYREZVZZSPSR-ZUZCIYMTSA-N 411.358 4.933 0 40 HJAB CCOc1ccc([C@H](c2sc3nc(CC)nn3c2O)N2C[C@@H](C)C[C@H](C)C2)cc1 36104863 CAGJIBIIVMKPNX-YZVOILCLSA-N 414.575 4.525 0 40 HJAB CN(Cc1ccccc1N1CCOCC1)C(=O)Nc1ccccc1Cc1ccccc1 40098895 WRCCBUSRJASHHV-UHFFFAOYSA-N 415.537 4.778 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CNc1ccc(Cl)cc1C(=O)N1CCCC1 40135341 MKOUUXWSZLAYAX-UHFFFAOYSA-N 406.313 4.588 0 40 HJAB CCOc1ccc(-c2csc3c(=O)n(Cc4ccccc4)cnc23)cc1OCC 44167023 WMEBHHBYOOHTSE-UHFFFAOYSA-N 406.507 4.971 0 40 HJAB Cc1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1NS(=O)(=O)c1ccccc1 44847941 BDPHYLOMHPMFJR-QHCPKHFHSA-N 420.534 4.603 0 40 HJAB Cc1ccc(C)c(-c2nn(C[C@@H](O)c3ccc(F)cc3F)c(=O)c3ccccc23)c1 51288662 NNSIAXLFGQXOPT-JOCHJYFZSA-N 406.432 4.692 0 40 HJAB Cc1ccc([C@H](NCC(=O)Nc2ccc(N3CCCC3=O)cc2)c2cccs2)cc1 57435571 XICAEPLVEOYKCK-DEOSSOPVSA-N 419.550 4.501 0 40 HJAB Cc1ccccc1-c1cc2c(N3CCN(c4cc(Cl)ccc4C)CC3)nccn2n1 67285496 LICBGYPRTLTJNF-UHFFFAOYSA-N 417.944 4.993 0 40 HJAB CC(C)CC(=O)N1CCC[C@@H](c2nc(N3CCC[C@H](C)C3)ncc2-c2cccnc2)C1 72348015 JHRWIUXJRNMLDQ-PZJWPPBQSA-N 421.589 4.527 0 40 HJAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H]3c3ccc(Nc4ccc(F)cn4)cn3)c2c1 72353248 YRDSTOGFKNAYQM-HXUWFJFHSA-N 416.460 4.521 0 40 HJAB COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)[C@H](C)c1ccccc1 80344973 DMRRQZOCACEOCW-HAFFEQERSA-N 406.309 4.558 0 40 HJAB COc1ccc2c(COC(=O)c3ccccc3OCc3ccccc3)cc(=O)oc2c1 89467130 HHBXSXDYLNVALC-UHFFFAOYSA-N 416.429 4.738 0 40 HJAB Cc1c(CNC(=O)NCc2cccs2)sc2nc(-c3ccc(F)cc3)cn12 90593878 UVAWJQXHWYPODR-UHFFFAOYSA-N 400.504 4.571 0 40 HJAB O=C(Nc1cccc(O)c1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96147717 APIRVMWFEMXEPE-UHFFFAOYSA-N 410.477 4.980 0 40 HJAB CN(C)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2 97655922 MRIYPRXEPUPGKY-SSZFMOIBSA-N 420.896 4.620 0 40 HJAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 215190959 JKCXGSQFHXYUSN-RQZCQDPDSA-N 405.834 4.641 0 40 HJAB CC(C)c1ccccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 222532646 ZNSPDMSZISXMQB-UHFFFAOYSA-N 408.523 4.887 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 222601686 KWPPZBOFCBRKGQ-URXFXBBRSA-N 408.586 4.611 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 223058384 CFSVJFNTNLLPGX-HOTGVXAUSA-N 421.368 4.868 0 40 HJAB Cc1cc(C)c([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1C 223436123 XTBRNRHBJXHRJP-IBGZPJMESA-N 422.550 4.904 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)c1 223807449 NRFJGTRJUXQWRE-NRFANRHFSA-N 406.570 4.630 0 40 HJAB COc1cc(C)c(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1C(C)C 223899216 ZTBBLITZSSKHPE-SFHVURJKSA-N 403.544 4.708 0 40 HJAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)cc3)c2)cc1 224125132 IPSXHQQJKHUDGN-UHFFFAOYSA-N 405.450 4.622 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1Cl 224532794 YFTVEIBKANMUCW-UHFFFAOYSA-N 414.914 4.630 0 40 HJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC 224533254 HXTRIPJXERMCPT-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 224591940 OPVFFGGEBZDSSY-JOCHJYFZSA-N 414.977 4.771 0 40 HJAB CCc1nc2ccc(NC(=S)N[C@H](CC(=O)O)c3ccc(F)cc3)cc2s1 225229546 HFVVTVGJASSTPK-OAHLLOKOSA-N 403.504 4.500 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCSc2ccc(C)cc2)c1 225588107 LHANFTANOHMMPA-UHFFFAOYSA-N 408.976 4.904 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCCC[C@H]1[C@H](O)[C@@H]3O 253617336 RPBAJJRDQPLSHK-YJBONBIOSA-N 406.607 4.566 0 40 HJAB COc1ccccc1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257297966 RJNUYNWAMYUNLN-OAQYLSRUSA-N 408.473 4.709 0 40 HJAB O=C(O)CCN(CCc1ccccc1)C(=O)c1ccc(OCc2ccccc2F)cc1 257314485 UXEWPSAHLRVONP-UHFFFAOYSA-N 421.468 4.564 0 40 HJAB CCc1s/c(=N\C(=O)c2ccc(OC)c(OC)c2)n(CC)c1-c1ccc(F)cc1 408562084 MRTICIZEZNKHGI-GYHWCHFESA-N 414.502 4.696 0 40 HJAB CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCc2ccc(Cl)cc2Cl)=N1 408987967 GNKMAAACNDMXGF-QGZVFWFLSA-N 406.338 4.686 0 40 HJAB COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OC 409056111 GFKIRKFXYNRQGC-YBEGLDIGSA-N 405.859 4.607 0 40 HJAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCCN(C(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)CC2)C1(C)C 607949889 YLYMQCLFDYBTJM-FXELSEDVSA-N 400.607 4.524 0 40 HJAB c1ccc(COc2cccc(CNCc3cccc(OCc4ccccn4)c3)c2)nc1 1648814900 TXUJINPSQBYYNX-UHFFFAOYSA-N 411.505 4.924 0 40 HJAB COc1ccc(OCCn2c(NC(=O)c3ccc(F)cc3)nc3ccccc32)cc1 778461 VFTRWTGYTYSJOZ-UHFFFAOYSA-N 405.429 4.515 0 40 HJAB CCc1cccc2c(CCNS(=O)(=O)c3cc(Cl)ccc3Cl)c(C)[nH]c12 1074462 GOXIXOPBBUYOMU-UHFFFAOYSA-N 411.354 4.867 0 40 HJAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1Cl 1147324 QDVFFWNWEDTCGB-VBEHJTROSA-N 402.853 4.749 0 40 HJAB C[C@H]1CCCN(C(=O)CSc2nc(C3CC3)nc3sc4c(c23)CCCC4)C1 1332763 DUJSSRUJGYJQJK-ZDUSSCGKSA-N 401.601 4.798 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 1368034 ZZCVHFAQJCWPDM-UHFFFAOYSA-N 419.959 4.556 0 40 HJAB O=S(=O)(Nc1ccccc1Oc1cnc2ccccc2n1)c1ccc(Cl)cc1 1387374 NXLLLTIQLMXSSD-UHFFFAOYSA-N 411.870 4.876 0 40 HJAB COc1ccc(-c2cc(=O)oc3cc(OC(=O)c4cccc(OC)c4)ccc23)cc1 2091377 FVGRVXQWSHVBGW-UHFFFAOYSA-N 402.402 4.696 0 40 HJAB biogenic COCCn1c(C)cc(C(=O)COC(=O)c2ccccc2Nc2ccccc2)c1C 2653534 YCFHBTRLKBDUML-UHFFFAOYSA-N 406.482 4.535 0 40 HJAB COC[C@H](C)n1c(S[C@H](C)C(=O)c2cccc(Cl)c2)nc2ccccc2c1=O 2665002 QRFPELOWMLTXQO-UONOGXRCSA-N 416.930 4.621 0 40 HJAB COc1ccc(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)cc1Cl 3216281 CRJPRHWSIOYCCI-UHFFFAOYSA-N 423.852 4.768 0 40 HJAB CC(=O)c1ccc(NC(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)cc1 3240188 BQVHPTNXAQRMID-LDADJPATSA-N 411.504 4.735 0 40 HJAB O=C(OCC(=O)N1CCc2ccccc21)/C(=C/c1ccc(F)cc1)c1cccs1 3292141 MVDZEUIXBIUXHU-XMHGGMMESA-N 407.466 4.560 0 40 HJAB O=C(NCc1ccccc1)c1ccccc1OCc1nnc(-c2ccc(Cl)cc2)o1 3417235 OXAJUSXBSMNBCL-UHFFFAOYSA-N 419.868 4.899 0 40 HJAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@@H](C)SC2=N1 3636573 NUQVMKHNYPFRHH-DNVCBOLYSA-N 414.571 4.832 0 40 HJAB C[C@H](c1nnc(SCCCOc2ccc(F)cc2)n1-c1ccc(F)cc1)N(C)C 4490703 MNSZKDSRAXEVQQ-OAHLLOKOSA-N 418.513 4.729 0 40 HJAB COc1c(Cl)cc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1Cl 4705258 WGKKTVCVBUWYAK-UHFFFAOYSA-N 413.370 4.575 0 40 HJAB COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2cccc(OC)c2)cc1 4715970 RNEDUQJGXFVNBB-ILBGXUMGSA-N 416.477 4.955 0 40 HJAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@@H](c2ccc(F)c(F)c2)N1 4864407 DKRYWMGEQPFJNZ-OAQYLSRUSA-N 402.404 4.764 0 40 HJAB Cn1c(C(=O)N(Cc2ccccc2)Cc2ccc3c(c2)OCO3)cc2sccc21 4971239 MCIBHTUJQPPURI-UHFFFAOYSA-N 404.491 4.811 0 40 HJAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1 5673523 XMGRJKXJZCFPJQ-GOSISDBHSA-N 416.477 4.869 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 5947039 KUGLPCUZGZNPQF-QFIPXVFZSA-N 404.441 4.528 0 40 HJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(C(F)(F)F)cc1 6330159 IIFWVLFYNFFINK-UHFFFAOYSA-N 400.404 4.943 0 40 HJAB CCCCOc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(OC)cc32)cc1 6480968 QKQHQAHDCKDLGF-UHFFFAOYSA-N 400.482 4.703 0 40 HJAB CCN(CC)C(=O)[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 7112712 TXUVPMMGQPUDEN-NRFANRHFSA-N 420.582 4.906 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)N1CCC[C@@H]2CCCC[C@H]21 7327712 YMEIZOFDHMIKFK-HNAYVOBHSA-N 414.550 4.692 0 40 HJAB COc1ccc(-c2ccc(NC(=O)c3sc(-c4ccccc4)nc3C)cc2)nn1 7573298 KKHDFAQZXPYQOT-UHFFFAOYSA-N 402.479 4.836 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3OC)n2)c(OC)c1 7814281 WXMMSQQSWOXGSP-UHFFFAOYSA-N 404.875 4.742 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 7987309 JFNQVOXZFNVCOS-DEOSSOPVSA-N 415.541 4.812 0 40 HJAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)N[C@@H]1CCSc2ccccc21 7990690 SMGVKMNWCCXMPZ-OAQYLSRUSA-N 418.518 4.562 0 40 HJAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)n2)cc1 8484150 SYYKEQGHHPERIS-YWZLYKJASA-N 406.555 4.709 0 40 HJAB O=c1c2ccccc2n2c(-c3ccc(C(F)(F)F)cc3)nnc2n1Cc1ccccc1 8688074 WGOQLNHZMKWAIH-UHFFFAOYSA-N 420.394 4.778 0 40 HJAB Cc1nc(Cc2nnc(SCC(=O)N[C@@H](C)c3ccc4ccccc4c3)o2)cs1 8862343 CIUWETORRQSJST-ZDUSSCGKSA-N 424.551 4.548 0 40 HJAB CCn1c(CSc2nc(C)cc(C)n2)nc2cc(NC(=O)c3ccco3)ccc21 9421483 PPHBHIPBDFMEPK-UHFFFAOYSA-N 407.499 4.601 0 40 HJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 9516700 LTMUYJOVEVVSMX-MJGOQNOKSA-N 424.570 4.615 0 40 HJAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4OC)cc(=O)c3c2)cc1 9660141 CREAZFYETAVXDH-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB biogenic Cc1ccc(S(=O)(=O)c2cn(Cc3cccc(C)c3)c3ccc(F)cc3c2=O)cc1 9858948 KTOVKAUWUPBQIC-UHFFFAOYSA-N 421.493 4.639 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc(C)c2)cc1 10060298 CKBIRYADFKQQJG-BJKOFHAPSA-N 424.504 4.976 0 40 HJAB COc1ccc(-c2csc(NC(=O)Cc3ccc(SC)cc3)n2)cc1OC 10252278 ZVEKAGDWTSLWKF-UHFFFAOYSA-N 400.525 4.730 0 40 HJAB C[C@@H]1Cc2cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)ccc2O1 10298804 IZWSGTQFXLAFFX-QGZVFWFLSA-N 424.456 4.593 0 40 HJAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cccc(C)c4)cc3C[C@H]2C)cc1 10326554 NNCPZMKJTBULOW-GOSISDBHSA-N 420.534 4.696 0 40 HJAB CCc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10362270 XTFQGTFBTRLYSV-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB O=S(=O)(NCc1ccccc1)c1cc(Br)c2cccc3c2c1CCC3 11565943 OTNCLWCPDFBRKD-UHFFFAOYSA-N 416.340 4.570 0 40 HJAB CC(=O)c1ccc(NCC(=O)N2N=C(c3ccc(C)o3)C[C@H]2c2cccs2)cc1 12534021 NHHHEZDAIHDGSK-IBGZPJMESA-N 407.495 4.642 0 40 HJAB CCCOc1ccccc1NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21 12562780 OFYOIFNASOCFHT-UHFFFAOYSA-N 407.539 4.909 0 40 HJAB Cc1nc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)nn1-c1ccc(Cl)cc1 12567334 WWVYIONCWPLMSQ-UHFFFAOYSA-N 410.861 4.523 0 40 HJAB O=C(NCc1ccccc1)c1ccccc1NCc1nc(-c2ccccc2Cl)no1 12642077 LZUADZBONAVHRS-UHFFFAOYSA-N 418.884 4.932 0 40 HJAB Cc1ccc(O)c(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2cccs2)N3)c1 12847925 MQWSNXOSTDMLEJ-WBMJQRKESA-N 422.432 4.871 0 40 HJAB Cc1ccc(Cl)c(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1Cl 12903651 KVQVXGCNYBCKGV-CQSZACIVSA-N 418.328 4.514 0 40 HJAB COc1cc2c(cc1NC(=O)C[C@](C)(C(=O)O)c1ccccc1)oc1ccccc12 13253574 XPWGIBNTGKXWIZ-DEOSSOPVSA-N 403.434 4.966 0 40 HJAB CCCCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 13578951 RHSQVSHCXWIHHF-FQEVSTJZSA-N 410.539 4.856 0 40 HJAB COc1ccccc1/C=C1\SC(=O)N(CNc2cccc(Br)c2)C1=O 13602641 BDDADOZCAVHZKE-SXGWCWSVSA-N 419.300 4.564 0 40 HJAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1Oc1ccccc1Cl 15711554 FROWZOJIUHDRFY-UHFFFAOYSA-N 420.852 4.757 0 40 HJAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cccc4ccccc34)sc2c1 16321504 YCXDZSCUSOBMJE-UHFFFAOYSA-N 420.519 4.535 0 40 HJAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 17091366 KCNYMKJOVXFUPW-UHFFFAOYSA-N 418.325 4.677 0 40 HJAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)cc1 17995801 QBVBZOBHRWSSFE-SGNDLWITSA-N 412.489 4.663 0 40 HJAB O=C(c1cccc(Cl)c1)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 19376527 AQRJIAQPSCFTQO-UHFFFAOYSA-N 418.884 4.958 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)CCc2nc3cc(Cl)ccc3[nH]2)cc1OC 19560239 DJWHCUGAUREGJD-GOSISDBHSA-N 413.905 4.530 0 40 HJAB Cc1c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cccc1C(=O)N1CCCC1 19661805 SEXVDDRUIZURML-UHFFFAOYSA-N 409.873 4.792 0 40 HJAB Cc1sc(NC(=O)c2cc(C(C)C)c3nncn3n2)nc1-c1cccc(Cl)c1 19662951 NGNIEHXJDOQQOH-UHFFFAOYSA-N 412.906 4.585 0 40 HJAB CC(C)c1cc(C[C@]2(C(=O)NCC3(c4ccccc4F)CCCC3)CCCO2)on1 19740056 WTUCLRLVSXTMJO-DEOSSOPVSA-N 414.521 4.657 0 40 HJAB CC[C@H]1CCCCN1CCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 19931980 JBNBTTDQVAZZLP-INIZCTEOSA-N 403.419 4.997 0 40 HJAB COc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4cccc(C)c4)nc3C2)c(OC)c1 20101646 ICENOVZLPDCXPD-MRXNPFEDSA-N 403.482 4.767 0 40 HJAB CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4ccc(F)cc4)C2)C3)cc1 20503439 ICSZLFRITWDIEH-AZUAARDMSA-N 420.553 4.996 0 40 HJAB biogenic,in-vitro O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4ccccc4)nn3cc21 20632525 IEFMQJJRHAIKNB-INIZCTEOSA-N 420.925 4.983 0 40 HJAB Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)C[C@H](c1cccs1)C2 20634908 QOIGCLBPGKHLFE-CQSZACIVSA-N 401.495 4.754 0 40 HJAB O=C(CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 21004172 DLYBCVLVRFRDGV-UHFFFAOYSA-N 412.533 4.583 0 40 HJAB CCC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccccc3)N2C1=O 21936251 NFBWYWYEQGITHX-OALUTQOASA-N 420.538 4.596 0 40 HJAB CC1(C)CC2=NN(c3ccccc3)[P@@](=O)(c3ccccc3)C2=C(N2CCOCC2)C1 25514578 IURWHCHBKAPEDT-SSEXGKCCSA-N 421.481 4.830 0 40 HJAB COc1ccc(-c2nnc([C@@H](C)Sc3nnc(-c4cccnc4)n3C3CC3)o2)cc1 26411302 ZFUGCORVOTYHJN-CYBMUJFWSA-N 420.498 4.587 0 40 HJAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1cnc2cc(C)nn2c1C 27806049 XZXPZYMHYDJKNU-UHFFFAOYSA-N 402.498 4.560 0 40 HJAB Cc1cccc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@@H]2c2ccc(F)cc2)c1 28048120 XRVAASKHPVYDLQ-QFIPXVFZSA-N 408.860 4.971 0 40 HJAB O=C(CCc1cccc(Cl)c1Cl)Nc1cccc(C(=O)NCC(F)(F)F)c1 31715213 QEIPSQMKMIVVHP-UHFFFAOYSA-N 419.230 4.857 0 40 HJAB Cc1ccc(Cc2cnc(NC(=O)CSCc3c(C)noc3C)s2)cc1F 32817112 PWKHUSKGIVDZAQ-UHFFFAOYSA-N 405.520 4.658 0 40 HJAB COc1ccccc1-c1nnc(C2CCN(C(=O)Nc3cccs3)CC2)s1 35597024 ZBVJUUJLTIRBDV-UHFFFAOYSA-N 400.529 4.687 0 40 HJAB COc1ccccc1-c1cnn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(F)c(Cl)c1 35684789 RZXMRITXFANUCY-INIZCTEOSA-N 414.824 4.523 0 40 HJAB COCc1nn2c(ncc3c(=O)n(CCC(C)C)ccc32)c1-c1ccc(Cl)cc1 40397744 NKSYYIPXIHDEMK-UHFFFAOYSA-N 410.905 4.557 0 40 HJAB FC(F)(F)c1ccc(-c2noc(CNc3cc4c(cc3Cl)OCCO4)n2)cc1 48236046 VIXHTAYLTVRGGM-UHFFFAOYSA-N 411.767 4.792 0 40 HJAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1 51364545 HGKMONDLJAKANZ-KRWDZBQOSA-N 414.383 4.744 0 40 HJAB COc1ccccc1-c1c(C)oc2c3c(ccc2c1=O)OCN(Cc1ccccn1)C3 54313346 XETCMYYYXZKYQA-UHFFFAOYSA-N 414.461 4.524 0 40 HJAB biogenic COc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)cc1 71327567 KNUYBZMSXGUULC-UHFFFAOYSA-N 412.511 4.946 0 40 HJAB O=C(NCc1ccc(C(=O)c2ccsc2)s1)c1ccc(OC(F)(F)F)cc1 96119840 XPBVMXWFWKQFBS-UHFFFAOYSA-N 411.426 4.869 0 40 HJAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 100390333 OIGGDHVREQYGHF-USEHDAJUSA-N 414.288 4.884 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100413485 YFDZDDQAGGHRQZ-NSISKUIASA-N 416.550 4.603 0 40 HJAB Cc1cc(OCC(=O)NCCCc2cccc(OC(C)C)c2)ccc1Br 218827320 GFNKLVAMMRZYAW-UHFFFAOYSA-N 420.347 4.673 0 40 HJAB CC[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 218988081 CJKUJXSYRSAEGO-JOCHJYFZSA-N 423.534 4.550 0 40 HJAB CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220726584 FTHBGEOYKSXOCX-HXUWFJFHSA-N 422.978 4.955 0 40 HJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 222954902 YFIIRBFLADVLQT-OAQYLSRUSA-N 406.482 4.623 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 223809175 ZUMZIHWOMUUOIZ-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C(C)C 224137511 JPGBTXVALDVLDH-UHFFFAOYSA-N 416.312 4.829 0 40 HJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSc1ccccc1 224642834 XJMDWRACSUITLA-IBGZPJMESA-N 410.583 4.645 0 40 HJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)c(OC)c1 224813226 KUZZHXPDAFKWGK-VXKWHMMOSA-N 422.554 4.658 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(C[C@@H]2CC=CCC2)C1)c1cccc(F)c1 247503126 QOWLDWRIHCBQLS-ZYKOEDHHSA-N 407.533 4.760 0 40 HJAB COc1ccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCN(C(=O)OC(C)C)C[C@H]23)cc1 257249349 JHVIDJXUMHXUKH-WXFUMESZSA-N 408.542 4.530 0 40 HJAB Cc1cc2ccccc2n1CC(=O)N1[C@@H](Cc2ccccc2)C[C@H]2NCCCCC[C@@H]21 257317880 VLOIDZBDDZSBBF-GSLIJJQTSA-N 415.581 4.694 0 40 HJAB COc1ccc(CNC(=S)c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 408572774 IDJUGHMQMSVLMY-UHFFFAOYSA-N 411.498 4.887 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2Cl)cc1Cl 408660961 AEOZJBBLKGELNX-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3sccc3C)C2=O)cc1Cl 409180622 YEHOEBCDTRECAC-OVCLIPMQSA-N 406.916 4.693 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 409366943 XVEPKBYBVMZFNY-UHFFFAOYSA-N 422.550 4.984 0 40 HJAB CC(=O)CCc1ccc(OCC(=O)Nc2ccc(SCc3cccnc3)cc2)cc1 520117321 KHDMBGYVIVVTAB-UHFFFAOYSA-N 420.534 4.913 0 40 HJAB CCOc1cc(NC(=O)c2ccc(OC)cc2)c(OCC)cc1NC(=O)CC(C)C 881460 LCCDYXDVBXCYHM-UHFFFAOYSA-N 414.502 4.730 0 40 HJAB Cc1ccc2cc(C)c3nnc(SCC(=O)N4CCCc5ccccc54)n3c2c1 903087 CZCBMCPZHHEXDV-UHFFFAOYSA-N 402.523 4.571 0 40 HJAB Cc1sc(NC(=O)c2ccco2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)(C)C 1366754 RVJTUQGVAKVFTN-UHFFFAOYSA-N 409.511 4.899 0 40 HJAB CC(C)Cn1c(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc2ccccc21 1370977 BJDNIIYXPWCRCP-UHFFFAOYSA-N 411.937 4.700 0 40 HJAB O=S(=O)(Cc1cc(Sc2ccccc2)nc(-c2ccccn2)n1)c1ccccc1 1383036 UWVAKCAOYJSYGK-UHFFFAOYSA-N 419.531 4.664 0 40 HJAB CCCOC(=O)c1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)cc1 2117962 HGMGELMUUIESKK-UHFFFAOYSA-N 419.477 4.513 0 40 HJAB biogenic CC1(C)c2ccccc2N(CC(=O)NCc2ccccc2)[C@@]12C=Cc1ccccc1O2 2181927 OCKQUZCRHPFRMO-HHHXNRCGSA-N 410.517 4.903 0 40 HJAB COc1ccc2nc(C)cc(SCc3nnc(S)n3Cc3ccccc3)c2c1 2194760 NKLLTRMKPDHYSZ-UHFFFAOYSA-N 408.552 4.773 0 40 HJAB CCOc1ccc(NC(=O)c2c(N)n(-c3ccccc3)c3nc4ccccc4nc23)cc1 2318386 ZNUZGXSHZXQVHN-UHFFFAOYSA-N 423.476 4.807 0 40 HJAB Cc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2ccccn2)cc1 2439490 HLRZEICWJFXBFD-UHFFFAOYSA-N 404.470 4.752 0 40 HJAB COc1ccc(-n2c(SCC(=O)C(C)(C)C)nnc2-c2cccc(OC)c2)cc1 2443995 IQLUOPMRWCJDGA-UHFFFAOYSA-N 411.527 4.659 0 40 HJAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1c(F)cccc1F 3217019 UDQQNGMXWUVZIT-UHFFFAOYSA-N 408.360 4.569 0 40 HJAB CCN(CC)CCCNC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 3219977 CRJSBIAQMOIMEU-UHFFFAOYSA-N 404.967 4.511 0 40 HJAB Cc1ccccc1-n1c(SC[C@@H]2COc3ccccc3O2)nnc1-c1ccncc1 3363107 KUMYAXRTXAFSKI-SFHVURJKSA-N 416.506 4.570 0 40 HJAB CN(C)c1ccc([C@@H](CNC(=O)Cc2cccs2)c2c[nH]c3ccccc23)cc1 3433916 MJKSEUPKXDKANA-OAQYLSRUSA-N 403.551 4.786 0 40 HJAB COc1ccc(-n2nc3c(c2NC(=O)Cc2cccc4ccccc24)CSC3)cc1 4077257 CNNNFVMGIRXMMA-UHFFFAOYSA-N 415.518 4.962 0 40 HJAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c(Cl)cc12 4986120 XJDWDPHHRQPYNA-GLJUWKHASA-N 405.922 4.719 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)o2)c1 5294544 NRDAYIDDSIPWBQ-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB CC(=O)c1ccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 6623882 UYSIAGZQBLOIIL-UHFFFAOYSA-N 403.434 4.848 0 40 HJAB biogenic CCCc1nnc(S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)O)[nH]1 7342330 WCBBQHMVFXKRTR-PDGQHHTCSA-N 413.474 4.693 0 40 HJAB CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1cc(Cl)ccc1OC 7604988 SYKLOYZQIMNOSD-UHFFFAOYSA-N 417.918 4.611 0 40 HJAB Cc1cccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 8071633 BZSZSQMKPRXEJY-UHFFFAOYSA-N 400.272 4.713 0 40 HJAB Cc1ccccc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 8851951 JSALWBKLJHDWJK-UHFFFAOYSA-N 415.515 4.503 0 40 HJAB C[C@@H](Nc1ccc(I)cc1)c1nnc(-c2ccc(F)cc2)o1 9587909 FBMJBQTUSBIXQV-SNVBAGLBSA-N 409.202 4.653 0 40 HJAB O=C(Nc1cccc(NC(=S)NC(=O)c2cccs2)c1)c1cccc(Cl)c1 9850418 LDLZXVKCEXMIRS-UHFFFAOYSA-N 415.927 4.781 0 40 HJAB CCCOc1ccccc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 11221260 COKHJLGKCBMRLJ-UHFFFAOYSA-N 402.498 4.859 0 40 HJAB O=C(Nc1nc2ccccc2s1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 11856729 PZVPQDGQFRCUOR-UHFFFAOYSA-N 412.854 4.734 0 40 HJAB COc1ccccc1NC(=O)[C@@H](C)Sc1nnc2cc(C)c3cccc(C)c3n12 11907688 YZPKWVSDCYUUKJ-OAHLLOKOSA-N 406.511 4.627 0 40 HJAB CCOc1ccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1 12601985 UGBIWOFPPDVPDZ-CJLVFECKSA-N 404.491 4.934 0 40 HJAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1 12908624 MKQRMZMRWNKUQB-AWEZNQCLSA-N 400.400 4.545 0 40 HJAB CC(C)n1ncc2c(C(=O)Nc3cccc(-c4nnco4)c3)cc(-c3ccccc3)nc21 12934240 UJSICDRLFAQGNQ-UHFFFAOYSA-N 424.464 4.982 0 40 HJAB Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3Br)cs2)cc1 12937925 RZGNPHAMPINFGL-UHFFFAOYSA-N 417.328 4.974 0 40 HJAB Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 13936211 SVQCALTZXXNHNX-UHFFFAOYSA-N 411.552 4.913 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NC1CCCCC1 13955496 VUZIKFNMHGKKEA-VWLOTQADSA-N 415.537 4.861 0 40 HJAB CCc1nn2c3c(nnc2c1-c1ccc(Cl)cc1)C(=O)C[C@H](c1cccs1)C3 14607781 ZUIWDWILIALYEC-CYBMUJFWSA-N 408.914 4.981 0 40 HJAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1ccccc1Cl 17088679 LDYDAYIYFREMNA-UHFFFAOYSA-N 410.836 4.539 0 40 HJAB CC(C)C(=O)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19085598 NEAIBFIKWWYODD-FQEVSTJZSA-N 405.477 4.741 0 40 HJAB CCOc1cccc(NCc2cc3c(C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)c1 19520002 HVRIVCAEQHXXDP-UHFFFAOYSA-N 408.889 4.686 0 40 HJAB Cc1cccnc1N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O 19939517 WFOGCQNEPSVXSQ-NRFANRHFSA-N 416.447 4.682 0 40 HJAB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2cccc(C)c2)n2c1nc1ccccc12 20675737 KJZKSIZZEXJDBK-FGZHOGPDSA-N 419.525 4.650 0 40 HJAB Cc1csc2nc(COC(=O)C3(c4cccc(Cl)c4)CCCCC3)cc(=O)n12 22978265 BTKRQZGTBFIRCO-UHFFFAOYSA-N 416.930 4.663 0 40 HJAB COc1ccc(Cl)cc1C(=O)N(C[C@@H]1CCCO1)c1nc2c(F)cccc2s1 23108289 VXQBHSXUYPMWQI-ZDUSSCGKSA-N 420.893 4.923 0 40 HJAB CCOc1ccc(C(C)=O)cc1CSCC(=O)NC12CC3CC(CC(C3)C1)C2 23414408 MIRJYVIXMXZUCU-UHFFFAOYSA-N 401.572 4.606 0 40 HJAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccccc1Br 24931030 FHIJSVACZVCUBD-IBGZPJMESA-N 410.315 4.501 0 40 HJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 29797529 JICBWQAJHYDXPG-DNVCBOLYSA-N 401.890 4.632 0 40 HJAB CC1=C[C@@H](CNC(=O)C(C)(C)C)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(F)cc1 30880459 MJYDLLGMRPMYSO-ONTIZHBOSA-N 416.581 4.849 0 40 HJAB biogenic,in-vitro Cn1ccnc1[C@H](NC(=O)NCCCn1ccc2ccccc21)c1ccc(Cl)cc1 32802261 FMRYSJRSDWOOFT-OAQYLSRUSA-N 421.932 4.507 0 40 HJAB COc1ccc(Cc2nnc(Sc3ncnc4sc5c(c34)CC[C@@H](C)C5)o2)cc1 32857616 AHFFYRTUDBKKLR-GFCCVEGCSA-N 424.551 4.950 0 40 HJAB C[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 32908319 RQSBZQIUDNJZTA-BLLLJJGKSA-N 411.354 4.927 0 40 HJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 34870235 NFZLACPEZBGIMZ-PIPMEXSNSA-N 412.530 4.626 0 40 HJAB Cn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)cn1 36616403 UZPNTQPJZWHKMP-UHFFFAOYSA-N 401.367 4.856 0 40 HJAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)c(OC)c1OC 40267536 YFMHMDRAHGHIQE-OAHLLOKOSA-N 413.861 4.675 0 40 HJAB O=C([C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 44774342 HNABUJFAICMZBN-PMACEKPBSA-N 403.551 4.695 0 40 HJAB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C)c1ccc(C)cc1 44904394 IRLWGGTZFJFBOE-QFIPXVFZSA-N 422.550 4.985 0 40 HJAB CC(C)c1ccccc1-n1ccnc1SCC(=O)c1cc2c(cc1F)NC(=O)CC2 58357871 YOJVAOBPXTWFRT-UHFFFAOYSA-N 423.513 4.995 0 40 HJAB Cc1ccccc1-c1cc2c(N3CCN(c4cccc(Cl)c4)CC3)nccn2n1 67285491 QOAWPPZXHHRHLO-UHFFFAOYSA-N 403.917 4.685 0 40 HJAB C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 68713111 VJZUDPDBUWZMHP-UPCLLVRISA-N 405.881 4.593 0 40 HJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1[nH]nc(C2CC2)c1Br 71844372 GBZNRRJITPGESL-CVEARBPZSA-N 402.336 4.848 0 40 HJAB O=C(c1nc2ccccc2s1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77177486 LWGFAYAPLWJHSL-CYBMUJFWSA-N 424.526 4.974 0 40 HJAB CC1(C)CCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)C1 78934856 AOKRZJNXFBGLKY-UHFFFAOYSA-N 420.460 4.887 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@H](c3cc4cccc(C)c4nc3Cl)C2)c(OC)c1 89689014 RUWWPQOZHGTFJL-FQEVSTJZSA-N 423.900 4.911 0 40 HJAB O=C(Nc1ccccn1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F 96999948 DXJKRJYXZIRFNG-LJQANCHMSA-N 415.415 4.868 0 40 HJAB CCOCCn1/c(=N/C(=O)/C=C/c2ccccc2Cl)sc2cc(F)ccc21 100873516 UOOABMXTXPGJQJ-NSSPVPIHSA-N 404.894 4.673 0 40 HJAB O=C1[C@H]2[C@@H](c3cccc4ccccc34)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1 102707712 VXFPKSQCUVGEPQ-ISJGIBHGSA-N 420.468 4.891 0 40 HJAB CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]2ON1c1ccccc1 102736788 ZWVOJGSNYJKDCJ-TWHAJKEOSA-N 406.526 4.890 0 40 HJAB Cc1cc2oc(=O)cc(CN3c4ccccc4[C@@H](C(N)=O)C[C@H]3C)c2cc1C(C)C 106566332 NIWBEZMPSOGMPA-IERDGZPVSA-N 404.510 4.593 0 40 HJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccc(C)c2C)CC1 216384168 NUEGGUYIEAQYMY-RUZDIDTESA-N 402.538 4.963 0 40 HJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)OC)o1 222902741 BHUCNWFXJOFYPN-SFTDATJTSA-N 421.522 4.511 0 40 HJAB COc1ccccc1CNC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 224198235 WWVGLWOKBUJWNX-UHFFFAOYSA-N 405.494 4.830 0 40 HJAB CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)c(Br)c1 224882356 MFCZHFPRAGYQRS-UHFFFAOYSA-N 418.740 4.635 0 40 HJAB CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225248144 NIVPOUMEJONGPS-DEOSSOPVSA-N 406.570 4.876 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccccc1 225460223 AKGYTIARTXUPRF-SIKLNZKXSA-N 412.599 4.891 0 40 HJAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](CC(C)C)c3ccccc3)ccc21 225729414 TYSZVWMHODESGX-SFHVURJKSA-N 418.584 4.539 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4nccs4)c3C)N21 260759089 FALINYJHFWFHQM-LZQZEXGQSA-N 409.584 4.925 0 40 HJAB O=C(c1cc2c(Cl)cccc2[nH]1)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 409414568 MUMOMJJBRFKSKD-RZRCNZQPSA-N 409.961 4.857 0 40 HJAB C[C@@H](N[C@@H]1COc2cc(F)cc(F)c21)c1cccc(OCc2cn3ccccc3n2)c1 680354369 CFOTVNIKIQVBBG-QVKFZJNVSA-N 421.447 4.976 0 40 HJAB COc1ccc(COCc2cccc(NC(=O)N[C@H](c3cnn(C)c3)C(C)C)c2)cc1 1622986734 VSZRTQBGTFTVJP-QHCPKHFHSA-N 422.529 4.664 0 40 HJAB COc1ccc2[nH]c(C)c(CCNC(=O)COc3ccc(Cl)cc3Cl)c2c1 1076474 LKPNQGHNJBYZKP-UHFFFAOYSA-N 407.297 4.529 0 40 HJAB Cc1ccc([C@@]2(CCNS(=O)(=O)c3ccc(C)cc3)CCO[C@H](C(C)C)C2)cc1 2237266 IDNUCAKYMLCODK-ZEQRLZLVSA-N 415.599 4.745 0 40 HJAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ncc(Cl)cc1Cl 3245360 FANPQXPDSZZHJB-UHFFFAOYSA-N 415.276 4.702 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1ccccc1 3309178 RPRVANAJEAZIEG-MRXNPFEDSA-N 408.571 4.749 0 40 HJAB CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(Br)cc1 3333094 RBTJQBSSWGWROU-UHFFFAOYSA-N 401.226 4.538 0 40 HJAB Cc1ccc(C)c(OCc2nnc(SCC(=O)N[C@H]3CCCc4ccccc43)o2)c1 3354441 KNFXICWUIOBSBC-IBGZPJMESA-N 423.538 4.551 0 40 HJAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)c(OC)c1 4064573 OPSSSWJBIKGPHY-IURDAJEJSA-N 421.537 4.612 0 40 HJAB biogenic Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 4341644 LWULHXYXGNWAET-UHFFFAOYSA-N 409.902 4.508 0 40 HJAB Cc1cccc(OCc2nn3c(-c4ccccc4Br)nnc3s2)c1 4664997 JWACTILLRGWQLV-UHFFFAOYSA-N 401.289 4.503 0 40 HJAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1c(C)cccc1C 4681501 LGPDBWSWIWERJO-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB CCCCCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)cc1 4865302 JPYGKHMBXXMEMJ-UHFFFAOYSA-N 403.486 4.878 0 40 HJAB CN1[C@H]2CC[C@@H]1CC(N(CCc1c[nH]c3ccccc13)C(=O)c1ccc(F)cc1)C2 4866528 GMBUNTAZLAYQLS-CBQGHPETSA-N 405.517 4.617 0 40 HJAB CC[C@@]1(C)N=C(c2ccc(Br)cc2)C(=S)N1C(=O)c1ccccc1 4891922 AFGUAVVBTDPPLF-IBGZPJMESA-N 401.329 4.848 0 40 HJAB CCc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 6066704 WOOPLJBAANHQEU-APWZRJJASA-N 422.550 4.501 0 40 HJAB CCc1nc(N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c2oc3ccccc3c2n1 6960980 JDZMPZXPUIBOHN-QGZVFWFLSA-N 400.438 4.528 0 40 HJAB Cc1cc2oc(=O)cc(Cn3cnc4scc(-c5ccccc5)c4c3=O)c2cc1C 7313435 NHMCFQJVTBHLOV-UHFFFAOYSA-N 414.486 4.897 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 7654586 GLIDYBLRQGVJER-NAVXVDNBSA-N 420.475 4.851 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)o2)c1 7834423 SHHMNWKYILSEIJ-MRXNPFEDSA-N 407.539 4.893 0 40 HJAB CCOc1ccc2oc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)c(C)c2c1 8075455 ASJUZBZWHNLKGE-LLVKDONJSA-N 412.511 4.677 0 40 HJAB COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 8092298 VUIZYAQKXYQPFW-LZYBPNLTSA-N 405.834 4.502 0 40 HJAB CCc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)cc1 8201780 WDMUBVSDCOLIHL-UHFFFAOYSA-N 414.509 4.871 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 8288788 HKTRZBADXXABTC-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB COC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 8471329 DFFNPFIOUYMAOO-UHFFFAOYSA-N 408.841 4.631 0 40 HJAB O=C(COc1ccc2ccccc2c1)Nc1ccc(C(=O)Nc2nccs2)cc1 8909526 STASRBPXSCBURN-UHFFFAOYSA-N 403.463 4.566 0 40 HJAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1nc2ccccc2n1C(F)F 9336013 BUVBKHIGDSXBBK-CYBMUJFWSA-N 401.438 4.624 0 40 HJAB CCCCc1ccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)cc1 9708885 PJYGMCLDDRGYJM-UHFFFAOYSA-N 422.508 4.677 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(F)cc3F)ccc2C)cc1 10315131 IQOCMIDTSHGUSB-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB COc1cc(CCNC(=O)c2ccc(SC(F)F)cc2)ccc1OC(F)F 11000929 VGCSHCWDVDUWHV-UHFFFAOYSA-N 403.397 4.584 0 40 HJAB COc1ccc(Cc2nnc(SCC(=O)Nc3c(Cl)cccc3Cl)o2)cc1 11650043 IOEGDLWXWXCCIV-UHFFFAOYSA-N 424.309 4.707 0 40 HJAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)C(C)C)n(Cc2ccccc2)c1C 12391434 VQBVIJZGJUVENH-UHFFFAOYSA-N 410.539 4.581 0 40 HJAB COc1ccc([C@H](NC(=O)c2oc3ccccc3c2CSC)c2nccn2C)cc1 12602204 XUMLEGJNVUNQOR-FQEVSTJZSA-N 421.522 4.557 0 40 HJAB O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)N1CCCc2ccccc21 13649656 IBLQUGKRALYTAI-XMMPIXPASA-N 418.518 4.647 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1 13695455 GJIXHQUWKWPDBP-UHFFFAOYSA-N 418.493 4.798 0 40 HJAB CN(Cc1ccc(Cl)s1)C(=O)CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1 14174635 RTAKUJVLUSAXKI-RUDMXATFSA-N 422.938 4.580 0 40 HJAB O=C(Nc1ccc(-c2nccs2)cc1)C1(S(=O)(=O)c2ccccc2)CCCC1 14196861 VRVPVOWFEFXRNG-UHFFFAOYSA-N 412.536 4.535 0 40 HJAB Cc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc(C)c1OC(F)F 15504079 VITBPLWWCAQDRO-JXFKEZNVSA-N 402.441 4.650 0 40 HJAB O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccnc3)CC[C@H]21 19339235 BYAYABHHAZSUBO-DNVJHFABSA-N 409.599 4.540 0 40 HJAB Cc1cc(-c2cncnc2)cc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 19691010 URBJQTCBFVVZQE-DEOSSOPVSA-N 411.509 4.625 0 40 HJAB Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)C(C)C)CC1 19700064 QZLKUNOORWZCJK-UHFFFAOYSA-N 406.570 4.558 0 40 HJAB Cc1nc(-c2cccnc2)sc1C(=O)N[C@H](C)c1cccc(Br)c1 20030101 FKRWAXRCPFBSNI-LLVKDONJSA-N 402.317 4.767 0 40 HJAB CC(C)C[C@H](NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccccc1 20462417 JVFOCLQJEWVNMJ-QFIPXVFZSA-N 424.566 4.509 0 40 HJAB CCc1ccc2nc(Nc3nc(C)c(Cc4ccc(Cl)cc4)c(=O)[nH]3)nc(C)c2c1 20673299 ARTFKVJVRRKCPN-UHFFFAOYSA-N 419.916 4.880 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCc2ncc(-c3ccccc3F)o2)c1 21205389 MPVPUIAKMNYKPW-FQEVSTJZSA-N 424.472 4.794 0 40 HJAB CCc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)cc1 27663865 LZXIVOYBTQQXKL-QFIPXVFZSA-N 400.950 4.625 0 40 HJAB COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(C)c2C)cc1 28527981 GFBPTKKXSDHFTI-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB CCCOc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4ncccc4o3)c2)cc1 30826419 HHLSCOLGILXJMK-UHFFFAOYSA-N 403.438 4.945 0 40 HJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1cccc(OCC(C)C)c1)CC(O)=N2 32072316 GQPPZEYJFYIHAY-INIZCTEOSA-N 411.893 4.783 0 40 HJAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N(C)C)no2)cc1 32622178 YRHANAZCDMBGGV-JOCHJYFZSA-N 405.542 4.980 0 40 HJAB C[C@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)c1ccc(-n2ccnc2)cc1 40068789 DDGVZXWMBLPWIZ-HNNXBMFYSA-N 402.420 4.794 0 40 HJAB C[C@@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1nc(C(C)(C)C)no1 40086333 RKFODVZTKCKCNP-CQSZACIVSA-N 402.454 4.895 0 40 HJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H](C)Cc1ccc(Cl)cc1 40112216 MJBLJHAKQWDSNY-AWEZNQCLSA-N 402.325 4.908 0 40 HJAB O=C(Nc1cccnc1OCc1ccccc1)c1cccc(OCc2cscn2)c1 40145870 VZCHWOKVMLUKQP-UHFFFAOYSA-N 417.490 4.948 0 40 HJAB O=C(Nc1ccnn1C1CCCC1)c1cc(Br)c(Br)s1 69209789 OPMIAYKUSBZYNT-UHFFFAOYSA-N 419.142 4.837 0 40 HJAB COc1cc2c(cc1CN1CCC[C@H]1c1cncc(Nc3ncccc3C)n1)CCC2 72376349 YUAXSJKQNFIYJR-QFIPXVFZSA-N 415.541 4.758 0 40 HJAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@@]4(C)CCCO4)C3)c(-c3ccncc3)c2c1 72396833 WYHUDCOQGHECKK-UQBPGWFLSA-N 403.526 4.813 0 40 HJAB CC(C)(c1ccccc1)[C@@H](OC(=O)c1ccc(N2CCOC2=O)cc1)C(F)(F)F 95983375 QFNAHRHDZLMRFV-GOSISDBHSA-N 407.388 4.709 0 40 HJAB COc1ccccc1-c1nnc(SC2CCOCC2)n1-c1ccc(Cl)cc1 96003424 OWQLTHVYXIYHAS-UHFFFAOYSA-N 401.919 4.867 0 40 HJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219373351 AMKWCPOZSOMMPJ-SFHVURJKSA-N 413.905 4.823 0 40 HJAB Cc1cccc(CN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 222746884 SAUJQCYJGOCUTI-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 223092496 ZEKWOZZFAVFGQW-KRWDZBQOSA-N 418.940 4.664 0 40 HJAB COc1cc(C)c(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C(C)C 223899168 ZTBBLITZSSKHPE-GOSISDBHSA-N 403.544 4.708 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 224581396 TUQLMLRTDHFPII-DEOSSOPVSA-N 408.586 4.734 0 40 HJAB Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225023070 UTVFYDYPBUXXHI-FCHUYYIVSA-N 406.530 4.927 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 225252923 RREJVKSIZSAGJU-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)N[C@H](C)CC)cc1 225374412 AISSRBPOBQMEFZ-WOJBJXKFSA-N 424.585 4.522 0 40 HJAB COc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(Cl)cc3Cl)n2)cc1 225381041 PPQUTDRCNJMSEB-UHFFFAOYSA-N 420.296 4.643 0 40 HJAB COC(=O)c1ccc([C@@H]2Nc3c(ccc(C(=O)OC)c3C)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 408621392 LXHLZRVWGSNMFG-YBTBMNATSA-N 405.494 4.865 0 40 HJAB O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1)c1ccccc1 408699100 UQXLFGVOTGTNIO-UHFFFAOYSA-N 417.852 4.627 0 40 HJAB CCCCOC(=O)c1cc(NC(=O)COC(=O)c2cccc(Cl)c2)ccc1Cl 409215451 ZAPLQSNLFVMBBI-UHFFFAOYSA-N 424.280 4.746 0 40 HJAB CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@@H](C)Oc1ccccc1 409326858 FLBKGUNXQUSNRO-OAHLLOKOSA-N 414.506 4.616 0 40 HJAB Cc1cnc(CN2CCC[C@@H](c3cccc(-c4cnc5ccc(Cl)cn45)n3)C2)cn1 585262838 KXGJIAUYXVLTCY-QGZVFWFLSA-N 418.932 4.528 0 40 HJAB NCCCCCCOc1ccc(Br)cc1Cc1cccc(C(=O)O)c1 585280596 QIWKWBCVLRMTFZ-UHFFFAOYSA-N 406.320 4.636 0 40 HJAB C[C@H](Nc1nc(O)c2cnn(-c3ccccc3)c2n1)c1ccc(Oc2cccnc2)cc1 673488907 VFJNUUWPFOBLEY-INIZCTEOSA-N 424.464 4.882 0 40 HJAB CC(C)(CNC(=O)Nc1nnc([C@@H]2CCCO2)s1)c1ccc(C(F)(F)F)cc1 1219842031 CCJMXYHZZJQEKN-ZDUSSCGKSA-N 414.453 4.508 0 40 HJAB CCC(CC)N1C[C@@H](C(=O)Nc2ccc(-c3nc4c(Cl)cccc4[nH]3)cc2)CC1=O 1520525930 KMFILVKXFCYSNL-HNNXBMFYSA-N 424.932 4.859 0 40 HJAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2Cc2ccccc2C(=O)O)o1 1848353966 IZJJAOFWEOGDEK-NRFANRHFSA-N 406.482 4.699 0 40 HJAB Cc1sc(NC(=S)NC(=O)c2cccnc2)nc1-c1ccc(CC(C)C)cc1 653897 WBTLAMJQXZOYFS-UHFFFAOYSA-N 410.568 4.839 0 40 HJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1C 686733 KARRGWQHWHPPNU-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB COc1cccc2cc(-c3nnc(SCC(=O)Nc4cc(C)ccc4C)n3C)oc12 687525 VNQWYRFPWLMFCB-UHFFFAOYSA-N 422.510 4.585 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(Cl)cc1 832556 VAEQEZGAGVVLPX-UHFFFAOYSA-N 414.918 4.552 0 40 HJAB COC(=O)C1=CN([C@@H](C)c2ccccc2)C=C(C(=O)OC)C1c1ccccc1Cl 968760 YJBJWRNMIYLDBN-HNNXBMFYSA-N 411.885 4.614 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)c1 996530 YOHKHVMKJVTPEQ-CYBMUJFWSA-N 417.527 4.708 0 40 HJAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)n1cc(Br)cn1 1001999 PVVPZGZBMRTDMD-UHFFFAOYSA-N 401.047 4.604 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)N2N=C3CCCCC[C@H]3[C@]2(O)C(F)(F)F)c1 1101565 JFOGMNFBZIQMFT-UZLBHIALSA-N 412.452 4.527 0 40 HJAB COC(=O)c1ccccc1NC(=S)N1CCC[C@H](c2nc3cc(C)c(C)cc3[nH]2)C1 1350149 MRPKHUOBZREDLV-INIZCTEOSA-N 422.554 4.543 0 40 HJAB COc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3NC(C)=O)n2)cc1 1405139 IEUJDCMVBISASC-UHFFFAOYSA-N 408.458 4.769 0 40 HJAB Cc1ccc(-n2ncc3c2ncn2nc(-c4cc5ccccc5cc4O)nc32)c(C)c1 2434352 YOKTVJUALJSXPR-UHFFFAOYSA-N 406.449 4.606 0 40 HJAB COc1ccc(CCNC(=O)c2cccnc2Oc2ccc(Cl)cc2)cc1OC 2550102 BNIFMYZGFIDPLE-UHFFFAOYSA-N 412.873 4.517 0 40 HJAB NC(=O)c1c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc2c1CCC2 2626704 TYUJYGKIDSCUCP-UHFFFAOYSA-N 419.531 4.865 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)NC1(C(F)(F)F)Oc2ccccc2O1 2725288 OHOKBGLOUVXUBX-UHFFFAOYSA-N 414.383 4.763 0 40 HJAB COc1ccc2nc(NC(=O)CSc3nc(C)cc(-c4ccccc4)n3)sc2c1 3237966 SUINVCJHQOSKHH-UHFFFAOYSA-N 422.535 4.801 0 40 HJAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)n2)n1 3351882 NDIFCTKBXNARRZ-UHFFFAOYSA-N 410.783 4.688 0 40 HJAB aggregator CCOc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 3487098 AOMFDKWZVXZPKU-UHFFFAOYSA-N 407.841 4.578 0 40 HJAB COc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)c(C)c1 3645192 CFHKMMUPTWZBEA-RHSMWYFYSA-N 420.391 4.706 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C(F)(F)F)cc2)n2ncnc2N1 4815487 HINYMFQBNPPWFZ-SFHVURJKSA-N 413.403 4.533 0 40 HJAB COc1ccc2[nH]cc(CCn3ccc(O)c(C/C=C/c4ccccc4)c3=O)c2c1 5703716 LNLAEXKVBUSBHT-VMPITWQZSA-N 400.478 4.542 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)c1cc(C)n(Cc2ccco2)c1C 6085504 WRBSCQDLBUQWRW-UHFFFAOYSA-N 415.873 4.513 0 40 HJAB COc1ccc(-c2noc(CSc3ccc(Br)cc3)n2)c(OC)c1 6988931 QESHJBYPMFWQQX-UHFFFAOYSA-N 407.289 4.809 0 40 HJAB O=C(Nc1ccc2ccccc2c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 7007636 PQJGCEUECXMUSY-UHFFFAOYSA-N 416.502 4.571 0 40 HJAB C[C@H]1CCc2sc(-c3nnc(SCc4nnc(-c5ccco5)o4)o3)cc2C1 7129258 OHJILGCPJZZNBQ-JTQLQIEISA-N 400.485 4.858 0 40 HJAB Cc1cccc2sc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)nc12 7424542 AUUAGYVXUAJZTQ-CMDGGOBGSA-N 408.552 4.999 0 40 HJAB Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)oc2ccccc12 7765441 KMTKLXMUSPNPSQ-UHFFFAOYSA-N 412.511 4.558 0 40 HJAB C[C@H]1Oc2ccc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2NC1=O 8014777 YIOUBZZBCRYEBE-CYBMUJFWSA-N 415.474 4.935 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 8160614 CZCSOBLUOZQUHR-SUMWQHHRSA-N 410.297 4.957 0 40 HJAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 9912055 KSUJKDOWEAOZHI-UHFFFAOYSA-N 420.490 4.687 0 40 HJAB O=C1CCc2cc(-c3csc(NC(=O)c4cc(Cl)ccc4F)n3)ccc2N1 11452522 WYNCGMWLPLYVQV-UHFFFAOYSA-N 401.850 4.740 0 40 HJAB CC(=O)N[C@@H](CC(=O)N[C@@H](c1ccccc1)c1cccs1)c1ccc(Cl)cc1 12270504 ZWNSVHKBCYVGDS-UGKGYDQZSA-N 412.942 4.875 0 40 HJAB O=C1C[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)CN1c1ccc(Cl)cc1 12414345 OCRMRKWRYPANIL-GFCCVEGCSA-N 407.779 4.929 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 12435185 CDHKABSPJGTTSM-UHFFFAOYSA-N 412.852 4.574 0 40 HJAB COc1ccc(CN(C(=O)Cc2csc3nc(-c4ccccc4)cn23)C2CC2)cc1 12520272 OAQLLMKXYCNYSX-UHFFFAOYSA-N 417.534 4.805 0 40 HJAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@@H](NC(C)C)C[C@@H](c3ccccc3)N12 12603122 KPDCCKANZFZBLN-ABQRKTDGSA-N 417.553 4.510 0 40 HJAB biogenic,in-vitro COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(F)cc(F)c3)C2)c2ccccc12 12763041 XPKRZBBKSOZJFF-HNNXBMFYSA-N 424.447 4.618 0 40 HJAB C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(C(=O)CCC2CCCC2)CC1 13018998 ZVAGLILCRKGWTJ-INIZCTEOSA-N 416.953 4.566 0 40 HJAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)/C=C/c3ccco3)c2)c1C 14405484 LSUMQWWIWAVZGN-VAWYXSNFSA-N 406.486 4.797 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccc2C)cc1 15564133 XKDOPVWXLUNDOY-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB CCOc1ccc([C@@H](CNC(=O)c2ccco2)c2c[nH]c3ccccc23)cc1OC 15670778 MLXJIFHITMIZBZ-GOSISDBHSA-N 404.466 4.730 0 40 HJAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(C(F)(F)F)c1 15880218 ZTVBLIZBGMYWDN-UHFFFAOYSA-N 417.456 4.973 0 40 HJAB CC(C)(C)c1ccc(O)c(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 17361076 LRARZXAAOALZOR-UHFFFAOYSA-N 421.463 4.959 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)C3CCCCC3)C1)N2 19083967 KKAGHPSJJKFTMX-OKZBNKHCSA-N 422.564 4.990 0 40 HJAB O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]21 19334355 SDLATWVIXCLFAN-VABKMULXSA-N 412.574 4.894 0 40 HJAB Cc1cc(C)cc(OCc2nnc(SCc3nnc(-c4cccc(C)c4)o3)o2)c1 19928366 DZHYKSJVERCULO-UHFFFAOYSA-N 408.483 4.916 0 40 HJAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c1 22065548 RNGJJMGCGGIKJR-UHFFFAOYSA-N 422.510 4.596 0 40 HJAB O=C(Nc1ccnn1Cc1ccc(Br)cc1)C1(c2ccccc2)CCC1 25321451 VYVZUNAWBKVICI-UHFFFAOYSA-N 410.315 4.754 0 40 HJAB Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)N2CCCCC2)cc1 27581731 PFEFQYXRSIUALH-FQEVSTJZSA-N 401.348 4.715 0 40 HJAB CC(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)cc1 28251338 XCQRWIBSDOKKQO-HXUWFJFHSA-N 423.484 4.877 0 40 HJAB Cc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccc(F)cc4)cc3)n2)cc1 32623161 ARQSJQXGGLCWQD-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB Cc1cc(NC(=O)c2nc(NCc3ccco3)ncc2Cl)ccc1Br 32915738 WPZWCLBXZFRNGO-UHFFFAOYSA-N 421.682 4.658 0 40 HJAB Cc1ccccc1N1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1 33266335 VWALZJFGYFIOQP-UHFFFAOYSA-N 403.917 4.685 0 40 HJAB Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(F)cc3Br)CC2)c(C)c1 40081741 NMKSDOQLKFVDJB-UHFFFAOYSA-N 418.306 4.940 0 40 HJAB COc1ccc([C@H](NCC(=O)Nc2ccc(N3CCCC3)cc2)c2ccccc2)cc1 57383365 HDCHLKUTNWZZKL-AREMUKBSSA-N 415.537 4.613 0 40 HJAB O=C(O)CSc1nnc(C(c2ccccc2)c2ccccc2)n1-c1ccccc1 59497608 IQGKRMMOZQJCQF-UHFFFAOYSA-N 401.491 4.624 0 40 HJAB CCOc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc23)cc1 64471698 PXIZYQRHKWCEGZ-UHFFFAOYSA-N 411.502 4.705 0 40 HJAB COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)Nc1ncc(-c2ccccc2)s1 72306074 DWBUWDMDTUEWLG-MRXNPFEDSA-N 409.511 4.653 0 40 HJAB COc1cccc(NC(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)c1 96147660 JUWNZCLXTPMEIL-UHFFFAOYSA-N 402.429 4.549 0 40 HJAB O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1cc(Cl)c2c(c1)OCCCO2 96891407 WVPWRZXNTWWOAL-MDWZMJQESA-N 415.276 4.809 0 40 HJAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COc2ccc(Cl)cc2Br)C1 102237974 ZRRMNHVECCXPIS-SCLBCKFNSA-N 400.744 4.909 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3c(C)cc(Br)cc3C)CC2=O)cc1C 103716750 QXHKMBIRCQGBRU-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(Br)s2)cc1 216481086 YPBDRHNAPBTGSA-AWEZNQCLSA-N 418.378 4.585 0 40 HJAB O=S(=O)(Cc1c(F)cccc1Cl)Nc1nnc(-c2ccc(Cl)cc2)s1 225074555 MVAQGABCKPZUSR-UHFFFAOYSA-N 418.302 4.593 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225094974 PUMMAJPKOYOGIB-HSZRJFAPSA-N 410.558 4.522 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)C 225496060 UHHDNNZSLOLQKP-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB CC(C)(C)c1ccc2c(c1)[C@@H]1O[C@@H]3CCN(CCCC(=O)O)[C@H]3C[C@H]1C(C)(C)O2 257213638 CILJHPNXWQJPNX-MXKPZRPRSA-N 401.547 4.540 0 40 HJAB CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)C1=O 409243962 ZSGRVHQHZSGRMO-KGENOOAVSA-N 416.477 4.730 0 40 HJAB Cc1cc(COCC(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)on1 510285956 ILUSFSJOUBLNDE-UHFFFAOYSA-N 405.281 4.790 0 40 HJAB CC(=O)NC1CCC(NC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)CC1 554791578 JWDSETZMTTZVCG-UHFFFAOYSA-N 420.937 4.807 0 40 HJAB O=C(c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCC[C@@H]2C[C@H]21 672124445 CARNRWRBPKKZOB-CRAIPNDOSA-N 412.415 4.578 0 40 HJAB Cn1ccnc1COc1ccc(CN2CCc3cc(C(F)(F)F)ccc3C2)cc1 1560049120 NFQHIARQWKATHJ-UHFFFAOYSA-N 401.432 4.576 0 40 HJAB Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1O 938279 LFFFMNTUZMIKIT-UHFFFAOYSA-N 416.502 4.685 0 40 HJAB COc1cc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc(OC)c1OC 995153 DJZZKRPWDTUNBM-UHFFFAOYSA-N 420.465 4.525 0 40 HJAB Cc1cccc(OCCCC(=O)Nc2ccc(I)cc2)c1C 1786397 HGNCPHABJUJUJS-UHFFFAOYSA-N 409.267 4.706 0 40 HJAB CCC(=O)O[C@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2N=C1O 2197613 ZUVZBTSEBFDTFI-GOSISDBHSA-N 421.678 4.821 0 40 HJAB Fc1cccc(Cl)c1[C@H]1C=C(c2ccc(Br)cc2)N=C2NN=NN21 2231529 ZMUUQBLTTAIDES-CQSZACIVSA-N 406.646 4.881 0 40 HJAB Cc1ccc(CNC(=O)c2c(N)n(-c3cccc(C)c3)c3nc4ccccc4nc23)cc1 2247445 CQJOHLATTZGEJE-UHFFFAOYSA-N 421.504 4.703 0 40 HJAB Cc1ccc(-c2nn(CCC(=O)N[C@H](C)c3ccccc3)c(=O)c3ccccc23)cc1 2262973 NZJPDTKQASCWGH-LJQANCHMSA-N 411.505 4.639 0 40 HJAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl 2618157 ZHCSYCARHSLOEY-PABFRNLHSA-N 406.309 4.687 0 40 HJAB CCN(C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1cccc2ccccc12 2656345 UKJHJXNBWXMAHK-UHFFFAOYSA-N 408.807 4.727 0 40 HJAB O=C(CSc1nc(-c2ccccc2Cl)ns1)N1CCCc2ccccc21 2917620 KHWMMAJIGXYQON-UHFFFAOYSA-N 401.944 4.930 0 40 HJAB Cc1ccccc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 3117996 JKDOSSDQZVGBRR-HSZRJFAPSA-N 413.477 4.815 0 40 HJAB biogenic,in-vitro O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)Nc1ncc(Cl)cc1Cl 3260629 ZJZSSWRKSANEDC-UHFFFAOYSA-N 411.260 4.521 0 40 HJAB CCOc1ccc2nc(-c3ccc(NC(=S)NC[C@@H]4CCCO4)cc3)sc2c1 3315175 JOOJVUPTTBOBEO-KRWDZBQOSA-N 413.568 4.827 0 40 HJAB COC(=O)c1ccc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)o1 3517491 PTVUJRJSYOCLMW-UHFFFAOYSA-N 423.469 4.804 0 40 HJAB C[C@@H]1CCC[C@H](NC(=O)CCC(=O)Nc2ccc(OCc3ccccc3)cc2)[C@@H]1C 4598753 BOQRVJRRDQKUTH-PWHSHALESA-N 408.542 4.925 0 40 HJAB Cc1c(Cc2ccccc2)sc(NC(=O)COc2ccccc2C(C)C)c1C(N)=O 4657161 BHAQLDTYSCJBMM-UHFFFAOYSA-N 422.550 4.887 0 40 HJAB Cc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1-c1ccc(F)cc1 4675555 AEPLDCZYFUQNLX-UHFFFAOYSA-N 411.289 4.752 0 40 HJAB COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1 4952334 OVOWENRLPIDXOA-UHFFFAOYSA-N 418.884 4.913 0 40 HJAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1OC 5022109 HFMURZJSVVBGOV-UHFFFAOYSA-N 416.934 4.666 0 40 HJAB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4C)[C@@H]3C2=O)cc1 5478499 IDGCKJXQNAKQSW-VXNXHJTFSA-N 412.489 4.609 0 40 HJAB Cc1ccc(C)c(OCC(=O)Nc2nnc(SCc3ccccc3F)s2)c1 5615233 MTHQRISLBUBJGH-UHFFFAOYSA-N 403.504 4.604 0 40 HJAB CCCCCn1c(O)c(C(=O)Nc2ccc(OCCC)cc2)c(=O)c2ccccc21 5736260 ZZPCZANYVCWKLQ-UHFFFAOYSA-N 408.498 4.938 0 40 HJAB Cn1c(SCC(=O)Nc2c(F)cccc2F)nnc1-c1ccc(C(C)(C)C)cc1 5857461 UKMXOYRVAQKJEK-UHFFFAOYSA-N 416.497 4.789 0 40 HJAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccco2)n(C[C@@H]2CCCO2)c1C 6665600 LDHKPJXOSYYCPF-INIZCTEOSA-N 404.470 4.673 0 40 HJAB CCc1ccc(-c2nc(O)c3c(n2)Oc2c(cc(Br)cc2OC)C3)cc1 6748506 XKVFXHFBSRPUMW-UHFFFAOYSA-N 413.271 4.879 0 40 HJAB O=C1[C@@H](CN2CCCCC2)C(c2ccccc2)=NN1c1ccc(Cl)c(Cl)c1 6927312 GUJOXVGJVIOLRP-KRWDZBQOSA-N 402.325 4.846 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)CCNC(=O)c2ccc(Cl)cc2)cc1 8074456 UZVHANOOPZIMDV-NRFANRHFSA-N 414.933 4.612 0 40 HJAB COc1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc(Cl)c1OC 8086209 SIWYUMYHHKHJKI-UHFFFAOYSA-N 416.930 4.987 0 40 HJAB Cc1noc(C)c1CC(=O)N(C)Cc1ccc(-c2ccc(Br)cc2)o1 8762272 JLYWGBOSIHVXRC-UHFFFAOYSA-N 403.276 4.515 0 40 HJAB COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)c1 8827469 LBCLWJDGHMSXFP-FQEVSTJZSA-N 418.836 4.600 0 40 HJAB COc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)cc1 8916619 HSRJNVXXMCPMII-LJQANCHMSA-N 424.324 4.589 0 40 HJAB COc1c(F)c(F)c(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c(F)c1F 9594788 WXAKGPAXIPLGHG-UHFFFAOYSA-N 417.318 4.707 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 9787466 DPKOUGDPMOZRKP-CYBMUJFWSA-N 411.914 4.569 0 40 HJAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cncc(Br)c1 9872521 JBWYXKFOJVAUQE-UHFFFAOYSA-N 400.257 4.966 0 40 HJAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)c1 10356820 SKCSUOZJTIFCSE-GOSISDBHSA-N 402.560 4.528 0 40 HJAB Cc1ccc(OCC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c2c1[C@@H](C)CC2=O 12736726 ZXTZLVCXGVJQEP-UONOGXRCSA-N 405.416 4.960 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](C)c1cccc(Br)c1 12983496 RUKHNPKWBOUXDC-VBKZILBWSA-N 413.315 4.591 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccccc1C)CC2 12986918 RRNDQAPYIKXULU-XMMPIXPASA-N 422.550 4.660 0 40 HJAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccccc1C(=O)c1ccc(F)cc1 13007635 KTZGICHVJRTWKF-UHFFFAOYSA-N 423.513 4.751 0 40 HJAB COc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccccc1 13512436 SCGRBLFLMZOJSN-UHFFFAOYSA-N 420.494 4.575 0 40 HJAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 13586089 FMBXBDOODODCAO-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB CN1C(=O)[C@]2(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c2ccccc21 13809995 YBNVITVFXHUKTR-ZJSXRUAMSA-N 415.880 4.713 0 40 HJAB C[C@@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)Nc1ncc(Cl)cc1Cl 14854933 AOMYBDLNXJIQCH-ABZNLYFFSA-N 416.264 4.520 0 40 HJAB O=C(NC[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(F)cc2)C1)Nc1ccc(F)cc1 16428372 HRJQDDLRIBCMJZ-HZPDHXFCSA-N 416.472 4.714 0 40 HJAB COc1ccc(CN2CCC(c3nc(C)cc(-c4nccs4)n3)CC2)c(C)c1C 19118664 HSMBUFCXMFHDRE-UHFFFAOYSA-N 408.571 4.914 0 40 HJAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc(Cl)c2c(c1)OCCO2 19622047 HCJIFXLGPBGLLZ-UHFFFAOYSA-N 408.813 4.765 0 40 HJAB CNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C2CCCC2)CC1 19700072 UKNJVFLLRXDPTA-UHFFFAOYSA-N 422.544 4.580 0 40 HJAB Cc1nc([C@]2(O)CCCN(CC(C)C)CC2)sc1CCOc1ccc(F)cc1 19705442 LIGQEHHEFSYMRR-QFIPXVFZSA-N 406.567 4.542 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(OCC(=O)O)c(-c3nc4ccccc4o3)c2)cc1 20157893 YABLKCDSEFOXTQ-UHFFFAOYSA-N 402.406 4.519 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 20411071 HYKZFLWQJKNKRU-IZZDOVSWSA-N 419.462 4.802 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)n2)cc1 24495122 NFWHMVYWVPTYKV-UHFFFAOYSA-N 419.510 4.539 0 40 HJAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(Br)s1 24560634 AXKIILNTAJVZSG-HNNXBMFYSA-N 416.344 4.563 0 40 HJAB CC(=O)Nc1ccc(NC(=O)COc2cccc(C(C)(C)C)c2)c(C(F)(F)F)c1 24747475 QGEMBTGGMYNHEY-UHFFFAOYSA-N 408.420 4.979 0 40 HJAB COc1ccc(Cc2nnc(S[C@@H](C)c3nnc(-c4cccc(C)c4)o3)o2)cc1 26563845 MZGPZATYUQXCOZ-AWEZNQCLSA-N 408.483 4.881 0 40 HJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 30847951 LOTWXPBQIUEMRA-SFHVURJKSA-N 402.494 4.585 0 40 HJAB Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc4c(c3)OCCCO4)o2)cc1C 31773799 GXWDVSFQHLWHPT-GOSISDBHSA-N 420.509 4.930 0 40 HJAB C[C@H](OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)O 34212927 ORQZAESELNKXTJ-OXJNMPFZSA-N 413.514 4.972 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)N1CCC(c2nnc(C3CC3)o2)CC1 35597721 QYMHACBBLLLZBP-UHFFFAOYSA-N 402.498 4.626 0 40 HJAB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1c[nH]c(=S)n1-c1ccccc1 40112378 LWDGMZVUMYYHDU-SFHVURJKSA-N 420.582 4.839 0 40 HJAB Cc1cccc(-n2cccc2CN(CCCn2ccnc2)Cc2cccc(F)c2)n1 43277730 CVMMTRJPDXJNAM-UHFFFAOYSA-N 403.505 4.609 0 40 HJAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)NCCC1=CCCCC1 57486754 OKVGTPIUGDTNBH-UHFFFAOYSA-N 410.905 4.865 0 40 HJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc2c(c1)OCO2)CO3 58090611 ATPLFCDUNSGWRP-UHFFFAOYSA-N 407.466 4.525 0 40 HJAB biogenic CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 58167063 UOMMZNBYIMIVAN-NFBKMPQASA-N 406.570 4.752 0 40 HJAB CC(C)C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc(C(F)(F)F)c1 58294714 GNJRDNDDKINGDG-SFHVURJKSA-N 413.461 4.626 0 40 HJAB Cc1c(N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 58368576 FSNIWWKTWWREGD-UHFFFAOYSA-N 419.475 4.969 0 40 HJAB CCN1C/C(=C/c2cc3ccccc3nc2O)c2nc3ccccc3c(C(=O)O)c2C1 69510518 AZOGSSXZPDWCKN-ATVHPVEESA-N 411.461 4.563 0 40 HJAB O=C(c1ccc(-n2cccc2)cc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607506 BFWDLSVRIYWFHV-UHFFFAOYSA-N 415.415 4.575 0 40 HJAB O=C(c1c(F)cccc1Cl)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607541 YLTBQWQJELEOFI-UHFFFAOYSA-N 402.775 4.577 0 40 HJAB O=S(=O)(NCc1ccccc1)c1nc(-c2ccccc2)sc1-c1ccccc1 94992797 JWHDZOWYDGOPLC-UHFFFAOYSA-N 406.532 4.956 0 40 HJAB CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 102736293 XMMKDNVRLXROGB-ZINXYGQCSA-N 410.489 4.721 0 40 HJAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)N(c1cc(C)ccc1C)S(C)(=O)=O 220542079 JSINUHNXRXVDBW-HXUWFJFHSA-N 416.587 4.612 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222855147 WNVYDBDWJBMYST-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 222857506 KRUWPAASGAITQU-SFTDATJTSA-N 421.522 4.509 0 40 HJAB COc1ccccc1CNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 223085192 OYZAGHYIEXXMNW-UHFFFAOYSA-N 414.505 4.527 0 40 HJAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCC 223552658 LOTUWZSRZQMOMA-DEOSSOPVSA-N 410.558 4.872 0 40 HJAB Cc1cc(C(=O)Nc2ccc(F)cc2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224004997 BWYLYYGUJGWGJN-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CC[C@H](NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 224364042 PHKMGIVYMKKZSK-QHCPKHFHSA-N 422.550 4.783 0 40 HJAB COC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224947693 WTFIFMFOFLSIAD-ZDUSSCGKSA-N 415.287 4.536 0 40 HJAB COc1ccccc1C(=O)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225255990 RWMPVGHTFKYVOQ-DEDYPNTBSA-N 423.563 4.951 0 40 HJAB CCOc1ccc(CCC(=O)Nc2nnc(SCC(C)C)s2)cc1OCC 225351425 RUJONSQBMJCVTR-UHFFFAOYSA-N 409.577 4.655 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1 225353057 DRCLZOGCLGNQCO-XMMPIXPASA-N 406.570 4.528 0 40 HJAB O=C(NCc1ccccc1Cl)c1snnc1-c1ccc(Br)cc1 225782390 SZVSGRXMNZGVFO-UHFFFAOYSA-N 408.708 4.551 0 40 HJAB O=C(CN1CCCc2ccccc21)Nc1cc(Br)ccc1Br 408546671 MDKKLRYZRGCBFL-UHFFFAOYSA-N 424.136 4.603 0 40 HJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 408678860 IRKWANCGQQORCD-FQEVSTJZSA-N 407.341 4.808 0 40 HJAB O=C(NC(=S)n1nc(Nc2ccccc2)cc1Nc1ccccc1)c1cccs1 575443643 XMSUOHAMOGIHOB-UHFFFAOYSA-N 419.535 4.995 0 40 HJAB CN1CCCCN(C(=O)c2cccc(F)c2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643562250 NHUUBSDMQLNSBG-GGAORHGYSA-N 424.516 4.524 0 40 HJAB O=C(NCc1ccnc(N2CCCC2)c1)c1cc2cc(C(F)(F)F)ccc2s1 1532390782 JMGVZIAECCMWDU-UHFFFAOYSA-N 405.445 4.845 0 40 HJAB O=C(OCCF)N1CCC([C@@H]2CCCCN2Cc2ccc(F)cc2Cl)CC1 2056225721 ZWIFEQZRJLRIEK-IBGZPJMESA-N 400.897 4.652 0 40 HJAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(OC)c(OC)c1 948810 WTPQXUMSDCCJBN-UHFFFAOYSA-N 417.508 4.923 0 40 HJAB O=C(Nc1ccccc1Cl)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 1359883 PHQOGCPHMOVWOB-AWEZNQCLSA-N 400.841 4.941 0 40 HJAB O=C1C[C@H](Sc2ncc(C(F)(F)F)cc2Cl)C(=O)N1c1ccc(Cl)cc1 1387018 BMTLCQHCMNAGGR-LBPRGKRZSA-N 421.227 4.831 0 40 HJAB O=c1/c(=C/c2ccc(-c3ccccc3)cc2)sc2nnc(-c3ccccc3Cl)n12 2393451 LEFSYBFVRMJEGO-ZHZULCJRSA-N 415.905 4.686 0 40 HJAB Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1Cc1ccccc1 2394976 WWTRKZYXRLXRRS-UHFFFAOYSA-N 408.461 4.572 0 40 HJAB CC[C@H](O)CNc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2405775 LZYWHCKXRFHEAO-LBPRGKRZSA-N 416.616 4.831 0 40 HJAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)cc1 2523620 ZOKYRRAPMYWXIR-UHFFFAOYSA-N 423.325 4.528 0 40 HJAB C[C@H](NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2)c1ccccc1 2799816 DBCALZNRLMASGI-RVSPLBMKSA-N 404.392 4.627 0 40 HJAB Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 3270626 GZXMRYXQBVTXSD-UHFFFAOYSA-N 411.461 4.643 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)c1 4491960 VWPVSRJYAVLWPM-QFIPXVFZSA-N 407.514 4.717 0 40 HJAB biogenic O=C(Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O)c1ccc(Cl)cc1Cl 4777095 APPDJGRTEAHGLF-CYBMUJFWSA-N 412.276 4.948 0 40 HJAB CC1(C)C[C@@H](NC(=O)c2cccc(F)c2)C[C@](C)(CNC(=O)c2cccc(F)c2)C1 4948406 LDIXUERNYDPSEP-YKSBVNFPSA-N 414.496 4.710 0 40 HJAB C[C@@H]1CCCN(C(=O)C2(NC(=O)Nc3ccccc3C(F)(F)F)CCCCC2)C1 4982022 IEYTXAISNWIZEY-OAHLLOKOSA-N 411.468 4.788 0 40 HJAB CC(C)C(=O)N1CCCc2cc(NC(=O)COc3ccc4ccccc4c3)ccc21 5099446 XNJBWEDPZPICTQ-UHFFFAOYSA-N 402.494 4.793 0 40 HJAB Cc1ccc(C(=O)N(C(=O)c2ccc(C)c(Cl)c2)C2=NCCS2)cc1Cl 6033489 PNYGWOXULOQJNH-UHFFFAOYSA-N 407.322 4.996 0 40 HJAB CN(C)C(=O)CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1 6140590 XLZYQPULPSHVHI-UHFFFAOYSA-N 408.571 4.708 0 40 HJAB COc1ccc(C(C)=O)cc1COC(=O)/C=C/c1cc(Br)ccc1F 6431471 GPCYWGAKZQAYFY-XBXARRHUSA-N 407.235 4.556 0 40 HJAB COc1ccc(N(C[C@@H]2CC2(Cl)Cl)S(=O)(=O)c2cc(C)ccc2C)cc1 6541691 MMVKMTJQSDOONW-HNNXBMFYSA-N 414.354 4.701 0 40 HJAB C[C@@H](NC(=O)CSc1nncn1-c1ccccc1F)c1cccc2ccccc12 7120750 MJICSXLBNCMYAE-OAHLLOKOSA-N 406.486 4.529 0 40 HJAB CN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1nc2ccccc2s1 7688834 GZUNCECHJQNNET-UHFFFAOYSA-N 417.534 4.946 0 40 HJAB COc1cc(OC)c([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc1OC 7883934 QIKZKGPPQYYKOG-XMMPIXPASA-N 418.493 4.788 0 40 HJAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)n2)cc1 8395782 IFGLILHPOAWDSB-UHFFFAOYSA-N 405.454 4.658 0 40 HJAB COc1ccc(-c2cn[nH]c2-c2ccc(OCCN3CCCCC3)c(C)c2O)cc1 8744001 RFFRQBYAHNAJDO-UHFFFAOYSA-N 407.514 4.631 0 40 HJAB COc1ccccc1[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1ccccn1 9191877 JEJIVUCYGNYPJK-HXUWFJFHSA-N 418.836 4.600 0 40 HJAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nccs1)[C@@H]3c1ccc(Cl)cc1 9302865 KXINSAGERXQUGW-QGZVFWFLSA-N 424.865 4.661 0 40 HJAB Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c3ccccc3n2)o1 9596750 ATRIBQMTAGPZGV-CQSZACIVSA-N 413.433 4.775 0 40 HJAB FC(F)(F)c1nc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 10034956 OTYRAZFNSIQWCW-UHFFFAOYSA-N 411.103 4.591 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C)cc3C)c2C)cc1 10315148 MPMSWIPAGARQOL-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CCC[C@]1(c2ccccc2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O 11381295 CZZRVOBUWLVYLK-JOCHJYFZSA-N 409.873 4.742 0 40 HJAB Cc1ccccc1OCCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 11667390 QHINEZFTAJCVMG-SFHVURJKSA-N 403.482 4.898 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(Oc3ccccc3)c2)n2ncnc2N1 12289292 OXCFDRZSOVDVJK-QHCPKHFHSA-N 423.476 4.998 0 40 HJAB CCn1c(-c2cccc(C(F)(F)F)c2)cs/c1=N\c1ccc2[nH]c(=O)[nH]c2c1 12560853 DBNFQRJTFDRQNJ-NKFKGCMQSA-N 404.417 4.657 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2Br)c(OC)c1 12783794 BWUUVLHKNBWKLD-DLENHJPASA-N 416.315 4.843 0 40 HJAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 12900073 VSQRBILKFCUMPC-UHFFFAOYSA-N 419.587 4.780 0 40 HJAB CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@H]2ON1c1ccccc1 13752123 QGBCDYBRZMPPGI-MKWLTTDUSA-N 406.526 4.890 0 40 HJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 14024274 QVMVSVOPQPOZNA-WZONZLPQSA-N 402.494 4.974 0 40 HJAB COc1ccc(OCCCC(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1 14197314 PYNAIJOTPIGKGJ-UHFFFAOYSA-N 410.539 4.645 0 40 HJAB O=C(CSc1ccc(Cl)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 14246259 VDCCOXJAHNRDSN-SFHVURJKSA-N 403.931 4.957 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cccc(Cl)c1Cl 14574456 IMEGFCXTXFOVDO-UHFFFAOYSA-N 401.175 4.845 0 40 HJAB COc1ccc(N(Cc2cc(-c3ccco3)on2)S(=O)(=O)c2ccc(C)cc2)cc1 15553210 QVPMEDYBHMZXIQ-UHFFFAOYSA-N 424.478 4.647 0 40 HJAB Fc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3Cc3ccccc3)n2)cc1Cl 15707251 KCPIFPKMLIMJLK-IBGZPJMESA-N 409.852 4.552 0 40 HJAB biogenic,in-vitro O=C(/C=C/c1ccco1)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 17092847 RRTCXXGDSRQLIZ-VAWYXSNFSA-N 421.928 4.907 0 40 HJAB Cc1cc(NC(=O)COc2ccccc2C)n(-c2nc(-c3cccs3)cs2)n1 17136066 AYPBHOMNEUTMJU-UHFFFAOYSA-N 410.524 4.692 0 40 HJAB Cc1nc(-c2cccs2)sc1C(=O)N1CCCN(C)c2nc3ccccc3nc21 17364724 RVTSBTMQQUQDOK-UHFFFAOYSA-N 421.551 4.610 0 40 HJAB COc1cccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1OC 19359504 IZCFBUZUOSHPQF-UHFFFAOYSA-N 402.538 4.611 0 40 HJAB Cc1cccc(C2(C(=O)Nc3nnc([C@H](C)Oc4ccccc4)s3)CCOCC2)c1 19662542 STMHPOCKHXPCJO-KRWDZBQOSA-N 423.538 4.673 0 40 HJAB Cc1n[nH]c(O)c1[C@H](c1ccc(-c2cccc(Cl)c2Cl)o1)c1c(O)n[nH]c1C 19974229 QWPYHFMYIZJGEN-UHFFFAOYSA-N 419.268 4.908 0 40 HJAB Fc1ccc(-c2nn3c(-c4cccc(F)c4F)nnc3s2)cc1Br 20717069 IYIKTCAJIHLOHH-UHFFFAOYSA-N 411.206 4.700 0 40 HJAB O=C(COc1ccc2ccccc2c1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 24931724 WFXCYRIXKNUAEQ-DEOSSOPVSA-N 411.505 4.657 0 40 HJAB Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]3c3cccs3)c2c1C 25346901 DZNHHAOSKDSLGF-INIZCTEOSA-N 414.600 4.543 0 40 HJAB Cc1coc2cc3oc(=O)c(CCC(=O)N4CCc5ccccc5C4)c(C)c3cc12 30819232 FTZIWSLJHZROLI-UHFFFAOYSA-N 401.462 4.674 0 40 HJAB Cc1c(Cl)cccc1NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955234 RRMVTHWNZLYDEH-UHFFFAOYSA-N 410.905 4.549 0 40 HJAB Cc1ccc(OCCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1 31903674 ZMBCHSQANSLYIW-IBGZPJMESA-N 405.542 4.928 0 40 HJAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(NC(=O)NC2CC2)c1 32924507 DSXUZARJSLOCPB-LLVKDONJSA-N 408.285 4.683 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C 33272039 WVZPSRVTUWARGH-UHFFFAOYSA-N 420.534 4.924 0 40 HJAB O=C(O[C@H](C(=O)NCCc1ccccc1)c1ccc2ncccc2c1)c1cccs1 35313113 IXKXSDJEQXIDKV-QFIPXVFZSA-N 416.502 4.553 0 40 HJAB Cc1nn(-c2ccc(C(=O)Nc3cnn(Cc4ccccc4)c3)cc2)c(C)c1Cl 40157512 LBGMKHOBASNQMW-UHFFFAOYSA-N 405.889 4.640 0 40 HJAB COc1ccc2nc(NC(=O)CSc3nc4cc(Cl)ccc4[nH]3)sc2c1 40487542 UMOINETURYUYFK-UHFFFAOYSA-N 404.904 4.565 0 40 HJAB Cc1cccc(C)c1OC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 41077658 GMBHKJKKQCRLRS-UHFFFAOYSA-N 419.300 4.814 0 40 HJAB O=C(NCc1cccc2ccccc12)NCC1CCN(C(=O)Oc2ccccc2)CC1 43984001 HJYYZGWZPHCMKX-UHFFFAOYSA-N 417.509 4.550 0 40 HJAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1OC 44947159 SQXOWQQNWSUXMQ-LJQANCHMSA-N 405.922 4.654 0 40 HJAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCC[C@H]1c1cccc(Br)c1 58358103 MOTHEOFCMPJKHU-FQEVSTJZSA-N 410.315 4.541 0 40 HJAB O=C(CCCc1nc2ccccc2s1)N1CCC(O)(c2ccc(Cl)cc2)CC1 71283608 KMUIWMBGZXKJNJ-UHFFFAOYSA-N 414.958 4.783 0 40 HJAB Cn1nccc1CN1CCC[C@@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 72374145 QEQSTAWDQDZKKG-OAQYLSRUSA-N 400.448 4.762 0 40 HJAB CO[C@@H]1CCCN(c2ccc(NC(=O)CCc3ccc(Br)cc3)cc2)C1 96122454 NDLAPMDWIOFHFV-HXUWFJFHSA-N 417.347 4.636 0 40 HJAB CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3cc(OCc4ccccc4)ccc3O2)C1 96319626 IMYZRJHPPFIFMN-XMMPIXPASA-N 409.482 4.610 0 40 HJAB S=C(Nc1cccc2ncccc12)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 100789017 PVKAJFSHLMPSIT-DJEYIWCMSA-N 418.610 4.827 0 40 HJAB biogenic O=C(O)[C@@H]1[C@@H](C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)[C@H]2C=C[C@H]1C2 102332419 LMWJKRTVEQKHOC-CHPZLBCBSA-N 409.294 4.578 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 223032434 DHEQWMBJBPQEMI-MSOLQXFVSA-N 400.950 4.605 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)cc1 224420704 GQZAWANOOUPENM-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 224842556 YWRYXEFXZXHBFP-INIZCTEOSA-N 421.368 4.870 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)N[C@@H](C)CC)cc1 225547276 LBZXXTWLPAVTSG-GBXCKJPGSA-N 424.585 4.658 0 40 HJAB Cc1cccc(N2C[C@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)c1C 408645030 UGHJEGRKNMRQKG-MRXNPFEDSA-N 415.331 4.674 0 40 HJAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(C)c1Br 408646164 VRVNVGRSJBADQH-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB COc1cc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)cc(Cl)c1O 408803072 KYMCFVMSKJAKIV-UHFFFAOYSA-N 410.302 4.779 0 40 HJAB CCOC(=O)C1=C(C)N=C(SCC(C)C)N[C@@H]1c1cccc(Br)c1 408986479 COBYOGOADFIRJM-MRXNPFEDSA-N 411.365 4.676 0 40 HJAB Cc1ncsc1-c1ccc(CNC(=O)c2cc(O)cc(OCC(F)(F)F)c2)cc1 1614626289 ZEZGYYZEJFTXPF-UHFFFAOYSA-N 422.428 4.695 0 40 HJAB O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1 850959 WLEPDEHMNCRBLO-HMMYKYKNSA-N 421.294 4.859 0 40 HJAB CCOc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 919411 HLYLZYPGKWALCA-SUMWQHHRSA-N 420.391 4.787 0 40 HJAB COc1ccc(NC(=O)c2ccc(OC(=O)COc3cc(C)ccc3C)cc2)cc1 958613 PXHKMPXOXYJFPL-UHFFFAOYSA-N 405.450 4.549 0 40 HJAB Cn1nc(-c2ccccc2)c(COC(=O)c2ccc(Br)cc2)c1Cl 1388789 NTVDPKXSEQARGI-UHFFFAOYSA-N 405.679 4.860 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 1393397 LTZBZLFWNHJELN-UHFFFAOYSA-N 411.795 4.570 0 40 HJAB O=S(=O)(c1ccc(-c2ccc(Br)cc2)cc1)N1CCc2ccccc21 1428420 UXFNFLCPTMMETF-UHFFFAOYSA-N 414.324 4.868 0 40 HJAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 2146520 GCFVUYPNDBTJHJ-QWHCGFSZSA-N 418.349 4.902 0 40 HJAB biogenic CCCOC(=O)c1ccc(N2COc3c(cc4c(CCC)cc(=O)oc4c3C)C2)cc1 2159915 MDZVHRGEKGCJBH-UHFFFAOYSA-N 421.493 4.977 0 40 HJAB biogenic CCCC[C@@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 2315317 AIONUDQLZAUZOY-JOCHJYFZSA-N 406.526 4.891 0 40 HJAB Cc1cc(C)cc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccc(F)cc2)c1 2494103 GERLJHDKQDGPBP-QHCPKHFHSA-N 406.432 4.766 0 40 HJAB O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(Br)cc1Cl 3357896 YYXRJTSBEMJYFQ-UHFFFAOYSA-N 414.630 4.922 0 40 HJAB COc1ccc(-c2nnc(SCc3cccc(OC)c3)n2Cc2ccco2)cc1 3364104 SNIWHXXQPORVOR-UHFFFAOYSA-N 407.495 4.896 0 40 HJAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2Cl)N2C(=O)CCSC2=N1 3640215 YBLGQGDGLYHSJZ-INIZCTEOSA-N 413.326 4.595 0 40 HJAB Cc1ccc(-c2nnc(N3CCN(C(=O)Nc4ccccc4)CC3)c3ccccc23)cc1 3644958 HBBNWJNWYDFGJP-UHFFFAOYSA-N 423.520 4.959 0 40 HJAB CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 4310954 QRTXDHWKAJOJKB-LJQANCHMSA-N 402.325 4.959 0 40 HJAB O=CN(CCCC[C@H]1C(=O)N[C@H]2CCCC[C@H]2[C@H]1c1ccccc1)c1ccccc1 4811795 HSUJEVIVQKZGOF-ZKGSSEMHSA-N 404.554 4.908 0 40 HJAB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H]1CC=CC[C@@H]1Cc1ccccc1 4897785 RXFUGJQYDAQJPM-SJLPKXTDSA-N 406.457 4.857 0 40 HJAB O=C(Cc1ccc(Br)cc1)Nc1cccc(-c2cn3c(n2)SCC3)c1 5083560 SOIFQRRDSZSHIL-UHFFFAOYSA-N 414.328 4.600 0 40 HJAB CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(C)cc3)=NN12 5478065 MELZUANDKQOKHQ-QFIPXVFZSA-N 405.542 4.749 0 40 HJAB O=C1c2ccccc2-c2nn(S(=O)(=O)c3ccc4ccccc4c3)c3cccc1c23 5553661 HBWRTZZUODFSOW-UHFFFAOYSA-N 410.454 4.638 0 40 HJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 6306216 MXOXRXOGLFYTBM-UHFFFAOYSA-N 422.481 4.856 0 40 HJAB COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cc(OC)c(OC)c(OC)c1)CC2 6552026 DNCGVWXMTZCZNU-RVDMUPIBSA-N 405.450 4.534 0 40 HJAB O=C(NCCc1ccccc1)c1ccccc1NCc1cc(Cl)cc2c1OCOC2 8429458 USEROAJBOPSDDL-UHFFFAOYSA-N 422.912 4.791 0 40 HJAB CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(F)c2)ccc1Cl 9866430 CQGDWOBSLFWSGM-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB CC(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)C[C@H]3CCCO3)cc2)n1 12220524 OXNVRUUJNZZILZ-HXUWFJFHSA-N 416.525 4.514 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)cc1 12361520 MCHQPFYNRVLUKK-HXUWFJFHSA-N 421.349 4.897 0 40 HJAB Cc1ccc(NC(=O)CSc2ccc(Cl)cc2)c(C(=O)O)c1Br 12447413 UYHJAEHPOPFWOS-UHFFFAOYSA-N 414.708 4.840 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 12528861 HZKVNARUPWAUGY-YDIMBITNSA-N 420.553 4.662 0 40 HJAB Nc1nc2n(n1)[C@H](c1cccc3ccccc13)C[C@H](c1ccc(Br)cc1)N2 12630313 YMMNVLNFTFHQPV-MOPGFXCFSA-N 420.314 4.922 0 40 HJAB CCN(Cc1nc(-c2ccccc2Cl)no1)S(=O)(=O)c1c(C)cc(C)cc1C 12654896 ZPPHULIZDXCIHC-UHFFFAOYSA-N 419.934 4.526 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12663411 PGSWBIZOBGMFIQ-BLDDEZIESA-N 416.631 4.567 0 40 HJAB biogenic CC(C)C(=O)N1CCC(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 13014216 PVCRMXKNFZUPHD-UHFFFAOYSA-N 408.586 4.988 0 40 HJAB COc1cc2cc(CNc3ccc(OCc4ccccc4)cc3)c(=O)[nH]c2cc1OC 13561361 BLQLMVKHPSONND-UHFFFAOYSA-N 416.477 4.736 0 40 HJAB O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)Nc1ccccc1 13717599 UQMCDRGUDCBBJZ-UHFFFAOYSA-N 409.283 4.883 0 40 HJAB CC1(C)Cc2cccc(OCc3nnc(-c4ccccc4Br)o3)c2O1 14241925 JJSDEKQQNXKMGU-UHFFFAOYSA-N 401.260 4.792 0 40 HJAB COc1ccc2c(CC(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4s3)coc2c1 14498401 FIJNIYPPQJNYNK-KRWDZBQOSA-N 422.506 4.806 0 40 HJAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N2CCC(C)CC2)o1 15860514 ABGFJFYDAKYUPO-HXUWFJFHSA-N 422.525 4.514 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1-n1cccc1)Nc1ccc(Cl)cc1 15882533 WAXNSWYNQJCUNC-UHFFFAOYSA-N 415.931 4.504 0 40 HJAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl 15911341 XFFPCRDHGPOKCX-PKNBQFBNSA-N 406.309 4.987 0 40 HJAB O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(c2ccc(Cl)cc2)CC1 16780686 SDZFNEGBWBYELN-DEOSSOPVSA-N 422.956 4.569 0 40 HJAB CCOC(=O)c1c(NC(=O)Cc2csc(-c3cccs3)n2)sc(C)c1C 17342525 NQPUJUUWGLKOHH-UHFFFAOYSA-N 406.554 4.908 0 40 HJAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCCN1C(=O)CCC1CCCC1 19239681 YHXYCCUAKDJLHK-QFIPXVFZSA-N 421.589 4.937 0 40 HJAB Fc1cccc(Nc2noc3c2CN(Cc2cccc(Oc4ncccn4)c2)CC3)c1 19331021 PCOMSUKWPRBPIY-UHFFFAOYSA-N 417.444 4.698 0 40 HJAB O=C(NC(=S)Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(Cl)cc1 20412233 ILCSTONXDLPLMV-UHFFFAOYSA-N 416.930 4.956 0 40 HJAB O=C(Nc1ccc(CNc2nn3cc(-c4ccccc4)nc3s2)cc1)c1ccco1 24828866 XTOPOGYWMYGSQJ-UHFFFAOYSA-N 415.478 4.915 0 40 HJAB CC(=O)NCCc1ccc(-c2csc(NC(=O)c3cc4cc(C)ccc4[nH]3)n2)cc1 29574474 CBAMOFPBNWAYSG-UHFFFAOYSA-N 418.522 4.531 0 40 HJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1nnc(SCc2ccccc2)s1 31892090 LAQVBZPGJIQUSK-LBPRGKRZSA-N 405.932 4.890 0 40 HJAB Cc1nc(-c2cccs2)c(CC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)s1 32739410 UNSBCCJYXLIDES-AWEZNQCLSA-N 423.567 4.523 0 40 HJAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Oc1cnc(-c2ccccc2)nc1 32818864 BVZJTDHLSAAJPS-UHFFFAOYSA-N 407.376 4.615 0 40 HJAB COc1ccccc1NC(=O)CSc1nc2ccccc2n1Cc1ccccc1F 35289693 GGBKQXSPOFVQCA-UHFFFAOYSA-N 421.497 4.963 0 40 HJAB COc1ccc(C(=O)N[C@H](C)Cc2ccc(-c3ccccc3)cc2)c(OC)c1OC 40145885 PBORKEBRLJXGGD-QGZVFWFLSA-N 405.494 4.740 0 40 HJAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 41157131 LUQPNPLPVIYOGJ-QGZVFWFLSA-N 423.738 4.886 0 40 HJAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@H]2C(=O)Nc1ccc(Cl)cc1 49547717 VUEWTTXIFSCBMU-KRWDZBQOSA-N 410.861 4.521 0 40 HJAB CCOc1ccc(Oc2ccc(NC(=O)c3cn(Cc4ccccc4)nn3)cc2)cc1 69413756 VLMUYVBKKUBWSV-UHFFFAOYSA-N 414.465 4.770 0 40 HJAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)Cn3ccnc3C(C)C)C2)n1 72354200 QEDNORIJDFIUSB-HSZRJFAPSA-N 416.569 4.707 0 40 HJAB CCc1nc2ccccc2n1C1CCN(C(=O)c2cc3ccc(N(C)C)cc3[nH]2)CC1 72365992 JDDYFWZSPDMOOD-UHFFFAOYSA-N 415.541 4.623 0 40 HJAB CN(CCCC(=O)N1CCC[C@@H]1c1n[nH]cc1-c1ccc(F)cc1)c1ccccc1 72380411 NHVNIOMNRXSLFN-JOCHJYFZSA-N 406.505 4.796 0 40 HJAB O=C(O)C[C@@H](CC(=O)N(CCc1cccs1)Cc1ccco1)c1cccs1 96024607 KIPDVZVDLILQFQ-OAHLLOKOSA-N 403.525 4.623 0 40 HJAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3csc(C)n3)CC2)c2ccccc21 96053041 HBOKSSHEAXMWJC-LJQANCHMSA-N 411.615 4.731 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 136529746 OYSMZANBUNXQOO-OYRHEFFESA-N 402.494 4.519 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccco2)c1C 222955322 RZPBBOXNYOZNCE-YADHBBJMSA-N 408.571 4.914 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222980089 LRURYUMARFJVOZ-GJZGRUSLSA-N 402.332 4.973 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 222982761 PHFKAPISPWWXGB-LEWJYISDSA-N 421.522 4.812 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1C1CCCCC1 223112188 XRFCSBQCMUUQKI-PKTZIBPZSA-N 417.582 4.632 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2ccccc2)cc1 223539329 WBSRHIPXDCOJSF-UHFFFAOYSA-N 416.587 4.521 0 40 HJAB COc1cccc(OCc2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2OC)c1 224261062 IJOJOOFUKCDXOL-MRXNPFEDSA-N 409.457 4.913 0 40 HJAB Cc1ccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)cc1C 224288541 SBSICFXXQLDRRG-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB COc1ccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)cc1Cl 225818977 RXOPMVUASUIXBX-UHFFFAOYSA-N 409.298 4.539 0 40 HJAB COCCOc1ncc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C 225870364 UTSFBZYWTVFLNK-UHFFFAOYSA-N 402.922 4.909 0 40 HJAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)c1cc(-c2ccc(F)cc2)on1 225900231 PWBKETZJWKDLQG-NSHDSACASA-N 401.235 4.835 0 40 HJAB C[C@H](NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC2)n1)c1ccccc1 225957900 AWOFHBVEOCYMMZ-KRWDZBQOSA-N 419.554 4.917 0 40 HJAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccccc1)CN(C(=O)CCc1ccccc1)CCO2 257271429 MYHNVPCERSYTOC-RNXOBYDBSA-N 407.554 4.651 0 40 HJAB Cc1csc(Nc2cccc([C@H]3CN(Cc4ccnc5ccccc45)CCO3)n2)n1 257323734 WLQBWVFTGVEJIA-OAQYLSRUSA-N 417.538 4.712 0 40 HJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc(Br)cc1 408731872 QHOGMIZHADELPK-SFHVURJKSA-N 415.287 4.557 0 40 HJAB CCOc1cc([C@@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)ccc1OC 408974912 FNEQDYTWVKWGGP-KRWDZBQOSA-N 413.524 4.530 0 40 HJAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 409005472 DUXCJFXBXMRMTD-KXBFYZLASA-N 411.527 4.589 0 40 HJAB CCN(C(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl)c1ccccc1 409184658 YTCNJNACGYCHRR-UHFFFAOYSA-N 411.841 4.622 0 40 HJAB COC(=O)CC[C@@H](C)[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[C@@]21C 600975552 BWDRDVHYVJQWBO-HHNSROQBSA-N 406.607 4.566 0 40 HJAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F 1772714799 WSDMSXGGWDJBIX-NSHDSACASA-N 415.330 4.635 0 40 HJAB CCOc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(C)(c4ccccc43)[C@@H]2C1=O 712957 NNSISMTZEFLICQ-ZOVQAKDCSA-N 409.485 4.656 0 40 HJAB biogenic Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1CCCN1C(=O)Oc1ccccc1 852736 BIJKUFXBXYHFCU-KRWDZBQOSA-N 417.303 4.668 0 40 HJAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 869914 QNFZAZGSNMEIMF-UHFFFAOYSA-N 414.962 4.991 0 40 HJAB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nc(O)c2ccccc2n1 1325659 ZHKJYVOZEUSKPU-UHFFFAOYSA-N 421.522 4.665 0 40 HJAB COc1ccc(/C=C/C(=O)Nc2ccc(C34C[C@@H]5C[C@@H](CC(O)(C5)C3)C4)cc2)cc1 1467544 GNQAYFUYCIMBJL-QSUTTZGASA-N 403.522 4.930 0 40 HJAB Cc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)/C2=C1\SC(=O)NC1=O 2442547 KWEUVISISCIYTN-SWXYAQJLSA-N 418.518 4.524 0 40 HJAB CCCCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(F)cc1 2706380 PCQANLDNMCVBAY-UHFFFAOYSA-N 403.552 4.998 0 40 HJAB O=C(COC(=O)c1cccc2ccccc12)Nc1ncc(C(F)(F)F)cc1Cl 3269261 HOFWDHNDXPXGFA-UHFFFAOYSA-N 408.763 4.703 0 40 HJAB O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1Br 3510441 JWNLPRYIRHJYEE-UHFFFAOYSA-N 419.500 4.883 0 40 HJAB C[C@@H](NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2)c1ccccc1 4223206 DBCALZNRLMASGI-SUYBPPKGSA-N 404.392 4.627 0 40 HJAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c[nH]c12 4700020 DDZYPBNIVMWAPD-ODLFYWEKSA-N 419.506 4.714 0 40 HJAB COc1ccc([C@@H]2CC(c3ccccc3OC(C)=O)=NN2C(=O)c2ccccc2)cc1 5217346 CJYPYUBEIBXZBH-QHCPKHFHSA-N 414.461 4.612 0 40 HJAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N[C@@H]1CCCc2ccccc21 6028906 PSJLEVCFYZBIAF-VBKZILBWSA-N 418.522 4.892 0 40 HJAB CCCOc1ccc(N2C[C@H](C(=O)Nc3cc(C(C)(C)C)ccc3OC)CC2=O)cc1 6880930 IEMMSXBHTOYMGH-QGZVFWFLSA-N 424.541 4.773 0 40 HJAB Cc1ccc(C)n1NC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2Cl)cc1 7302003 CWRAZTKRCPRBSC-MRXNPFEDSA-N 411.889 4.548 0 40 HJAB CCOc1c(Br)cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC 7886310 ODIQBNODOCEJHH-LJQANCHMSA-N 417.303 4.585 0 40 HJAB C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)C4CCCCC4)nc3[C@@H](C)[C@H]21 8644048 WMIOYUFBMNGWTR-MJWZIVSWSA-N 416.587 4.916 0 40 HJAB biogenic,in-vitro Cc1noc(C)c1CSc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1 8882857 UMBRJUBVXWXBDY-UHFFFAOYSA-N 421.478 4.991 0 40 HJAB CN1CCN(c2nc3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3s2)CC1 9316199 XAWPIFFROZENMC-UHFFFAOYSA-N 422.337 4.574 0 40 HJAB Cc1cccc(NC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)c1 10363973 MMSLFVNWMJQOEV-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB O[C@H](CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)c1ccccc1 10411717 ISVBUTFYZJPHED-OAQYLSRUSA-N 405.498 4.958 0 40 HJAB COc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)[nH]1 10475500 SQMRMLVHVCEUAZ-UHFFFAOYSA-N 409.298 4.518 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 10509981 KSKBRJOWZJSLOE-UHFFFAOYSA-N 418.453 4.701 0 40 HJAB O[C@@]12CCCC[C@@H]1C1(CCCCC1)NC(=S)N2Cc1ccccc1C(F)(F)F 12389152 KYCXZQJJARAALM-XLIONFOSSA-N 412.521 4.977 0 40 HJAB COc1ccccc1C1=NN(C(=O)c2cccs2)[C@@H](c2ccc3nccnc3c2)C1 12420783 ZAPAIEKHGTVQMG-HXUWFJFHSA-N 414.490 4.691 0 40 HJAB Cc1ccccc1-c1noc(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)n1 12909711 MAMWLBKNMJZNOE-UHFFFAOYSA-N 418.453 4.671 0 40 HJAB COc1cc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)cc(OC)c1 12917848 JJNBCXSMWDHRMZ-UHFFFAOYSA-N 400.525 4.598 0 40 HJAB COc1ccc([C@@H]2SCC(O)=Nc3c2c(C)nn3[C@@H]2CCOC(C)(C)C2)cc1 13123344 WFSCFDJYVYIFDV-BEFAXECRSA-N 401.532 4.754 0 40 HJAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccc(Br)s3)nnc12 13566619 ILUXCZMFMKHYEC-XLFHBGCDSA-N 424.389 4.846 0 40 HJAB CCOc1ccc(SCC(=O)N(C)Cc2cc(Br)ccc2OC)cc1 14185202 CKMPKPNYYMXQFO-UHFFFAOYSA-N 424.360 4.607 0 40 HJAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 16180386 RDORKBMZZKDTNZ-BQYQJAHWSA-N 420.597 4.613 0 40 HJAB COc1ccc([C@@H]2[C@@H](NC(=O)C[C@@H](C)n3nc(C)c(C)c3C)[C@@H]3CCCC[C@H]32)cc1 19556215 CUVHVJHKEWHHOI-LDYLEOGXSA-N 409.574 4.857 0 40 HJAB COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3C(=O)CCC2CCCC2)cc1 19713845 TZWFVCSQMQFZMG-PKTZIBPZSA-N 412.574 4.538 0 40 HJAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1 21905645 SYPDFYXAZSBIMZ-JOCHJYFZSA-N 408.523 4.677 0 40 HJAB COc1ccccc1CNc1ncccc1C(=O)Nc1ccc(Br)cc1 22072362 PXIZKUGHFMRQFM-UHFFFAOYSA-N 412.287 4.717 0 40 HJAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(-c2ccc(F)cc2)s1 22144427 LMIYVAKWINIBNI-UHFFFAOYSA-N 405.458 4.795 0 40 HJAB Brc1csc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 27223147 NPMCEYLGVXRGQZ-SFHVURJKSA-N 402.361 4.923 0 40 HJAB O=C(CCC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc(Cl)s1 31127203 QMNGULLETXZLIY-CYBMUJFWSA-N 402.903 4.912 0 40 HJAB Cc1sc2c(c1C)c1nc(-c3ccccc3)nn1c(=O)n2Cc1ccccc1F 32106653 ANYPHIRXMWEDQR-UHFFFAOYSA-N 404.470 4.577 0 40 HJAB COc1cc(Cl)c(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1OC 32771115 FMMRYJCVOATDMP-UHFFFAOYSA-N 409.667 4.853 0 40 HJAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 32876146 XRINXNLVVIULQM-QFIPXVFZSA-N 414.553 4.543 0 40 HJAB CSCc1c(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)oc2ccccc12 32988560 BHNVWVDLHFPESI-SFHVURJKSA-N 402.947 4.982 0 40 HJAB CCOC(=O)c1csc(-n2nc3c(c2C(F)(F)F)CCC[C@@H]3C(C)(C)C)n1 33436054 ZACHNGHMCSEJFG-NSHDSACASA-N 401.454 4.990 0 40 HJAB CCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O 34696879 LOOJIMNDXKIFDF-DEDYPNTBSA-N 424.522 4.884 0 40 HJAB CCCCC(=O)Nc1cccc(NC(=O)c2cccc(I)c2)c1 34921357 NQWUKJDOMMTWFY-UHFFFAOYSA-N 422.266 4.672 0 40 HJAB Cc1cc2cc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)cc(Cl)c2o1 35316686 GBRHMBDUHOUZLS-UHFFFAOYSA-N 412.294 4.851 0 40 HJAB Cn1nccc1NC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c12 36618533 WDHARMFWGDRDAH-UHFFFAOYSA-N 413.412 4.682 0 40 HJAB Cc1cc(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)c(C)n1Cc1ccco1 40052456 YTQUISXIFZHIML-UHFFFAOYSA-N 412.440 4.763 0 40 HJAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1cc(Br)ccc1F 40106871 LSAQAIRQWAVEJM-UHFFFAOYSA-N 401.235 4.706 0 40 HJAB COc1cc(C(C)=O)ccc1OCCCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 40119933 OFXDHKODXCRZAH-UHFFFAOYSA-N 423.431 4.734 0 40 HJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1 44786799 FJVBFBGXYQZAQA-IBGZPJMESA-N 407.558 4.843 0 40 HJAB Cc1noc([C@@H](NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c2ccccc2)n1 58314316 LYBYMZNSSKUUNJ-NRFANRHFSA-N 422.872 4.525 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)c(Cl)c1 71327876 LKJVLBPELQNVBM-UHFFFAOYSA-N 423.944 4.825 0 40 HJAB O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccccc1C(F)(F)F 71813813 IDGFUVNEOTZTCW-UHFFFAOYSA-N 405.416 4.718 0 40 HJAB COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 72357770 HOYFEUFLCCCQCY-DEOSSOPVSA-N 400.522 4.977 0 40 HJAB Nc1ncc(-c2ccccc2F)c([C@@H]2CCCCN2C(=O)CCc2ccc(F)cc2)n1 72377261 FGYLYHIHVZHGFC-NRFANRHFSA-N 422.479 4.690 0 40 HJAB CCCN(C(=O)CCc1nc(-c2ccco2)no1)[C@@H]1C[C@@H](OCC)C12CCCCC2 78874793 QRCKEXNIJDELPO-RTBURBONSA-N 415.534 4.629 0 40 HJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N(CCc1ccccc1)[C@@H]1CCOC1 79053669 MEKRGOZJSDZCNN-OAQYLSRUSA-N 424.928 4.788 0 40 HJAB Cc1cc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(C)o1 84081618 GWHIXRGSKCXAHQ-XIKOKIGWSA-N 409.313 4.685 0 40 HJAB CC(C)(C)C(=O)N[C@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)[C@@H]2CC=CCC2)CC1 100223450 ZTIVXWUJYHWWEH-HCXYKTFWSA-N 417.619 4.625 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118927919 BNXKKGNFJUFIND-VQXZZTEQSA-N 404.591 4.775 0 40 HJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 223754980 SMHRZEYVRBYELN-NHCUHLMSSA-N 406.555 4.824 0 40 HJAB CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 223796567 ULCUHKDFXVRUTL-IBGZPJMESA-N 416.587 4.599 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F 225129271 MABZJZZQBHXUKC-DEOSSOPVSA-N 424.560 4.933 0 40 HJAB O=C1CCCN1c1ccc(NC(=S)NCCSCc2ccccc2Cl)cc1 225297010 MXINPYSQEXSVMZ-UHFFFAOYSA-N 420.003 4.687 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1cccc2ccccc12 225407956 ICVYAZVTBLCNDX-QGZVFWFLSA-N 408.929 4.589 0 40 HJAB CCc1cc(Br)cc(C)c1NC(=O)c1cc(OC)c(OC)c(OC)c1 226092938 DIIIHYHQEJYYPC-UHFFFAOYSA-N 408.292 4.598 0 40 HJAB C[C@H]1CCCCN1c1ccc(N)cc1C(=O)Nc1c(F)cc(F)cc1Br 226324716 RWEXCAJVSIRZCD-NSHDSACASA-N 424.289 4.941 0 40 HJAB O=C(CCc1ccccc1)N1CC[C@@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 257200658 AEHBDBJXGZRQKX-GOSISDBHSA-N 409.917 4.591 0 40 HJAB O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(Cl)cc1 408626416 HBXFZTZRLWXRIK-UHFFFAOYSA-N 404.116 4.883 0 40 HJAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 409005471 DUXCJFXBXMRMTD-HNAYVOBHSA-N 411.527 4.589 0 40 HJAB CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1-c1cccc(C)c1 409209168 HKYYXDYFPZCHHS-UHFFFAOYSA-N 408.571 4.983 0 40 HJAB CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1 409358718 GBPDBBXEVGHBFF-UHFFFAOYSA-N 412.584 4.771 0 40 HJAB O=C(O)c1ccccc1C1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1 682187800 OIJCIYSQZDBNFS-UHFFFAOYSA-N 415.489 4.984 0 40 HJAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)NCc3ccccc3)cc2c1 1327139 WBRDSLVMQXISBD-UHFFFAOYSA-N 415.493 4.596 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 1337092 AFXCABXROAYXSN-UHFFFAOYSA-N 401.894 4.565 0 40 HJAB O=C(Cc1ccccc1)Nc1ccc2nc(NC(=O)Cc3ccccc3)sc2c1 1510061 MTVZRJXBHMVQAC-UHFFFAOYSA-N 401.491 4.659 0 40 HJAB CCOC(=O)c1c(C)n(-c2ccc(OC)c(Cl)c2)c2ccc(OC(C)=O)cc12 1522219 CSVFJTDYUSQREH-UHFFFAOYSA-N 401.846 4.703 0 40 HJAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2cccc4ccccc24)C(=O)[C@@]31C 2111255 NTGHSRAAOAGTBW-RUZDIDTESA-N 411.461 4.570 0 40 HJAB biogenic COc1cccc(CSc2nnc(-c3cccc(OC)c3)n2Cc2ccco2)c1 2237403 GHNATERSNITGLC-UHFFFAOYSA-N 407.495 4.896 0 40 HJAB Cc1ccc2[nH]c3c(N4CCN(c5cccc(C(F)(F)F)c5)CC4)ncnc3c2c1 2289289 QLYKLSLXAKHEDF-UHFFFAOYSA-N 411.431 4.765 0 40 HJAB CCOc1cccc(OCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)c1 2343941 UGFAEHHXFUNKDT-UHFFFAOYSA-N 416.477 4.550 0 40 HJAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(C)o3)c3cc(Cl)ccc32)cc1 2493143 KFJQZATUGBVILP-HSZRJFAPSA-N 409.869 4.557 0 40 HJAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 3465722 JPHQQIBBYMROPS-MRXNPFEDSA-N 410.518 4.567 0 40 HJAB CCN(CC)CCN(C(=O)c1ccc(F)cc1)c1nc2c(OC)ccc(C)c2s1 5122174 IBSXQSUPIUMCQV-UHFFFAOYSA-N 415.534 4.741 0 40 HJAB Cc1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)cc1F 5270851 IGAHTZNXJZYIFD-UHFFFAOYSA-N 405.256 4.903 0 40 HJAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)C1 5412655 FTZLPFMJGUEJMY-IBGZPJMESA-N 402.494 4.626 0 40 HJAB C[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccc(-c2ccccc2)cc1 6053950 YIKYHNKBZOIFAO-OAHLLOKOSA-N 413.926 4.902 0 40 HJAB CCc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 6225339 DVDASOZEZOAQNV-QHCPKHFHSA-N 406.507 4.869 0 40 HJAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCCOc3cccc(C)c3)n2)cc1 6509384 SOEQPNOTMMQRLF-UHFFFAOYSA-N 409.511 4.875 0 40 HJAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OCC 6964159 ZQHYEEPNYZDBTI-UDWIEESQSA-N 408.479 4.592 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)n3ccsc3n2)cc1 7007205 OJZRGOWGMPUBLS-UHFFFAOYSA-N 407.520 4.609 0 40 HJAB CCn1c(SCC(=O)N(Cc2ccccc2)c2cccc(C)c2)nnc1C1CC1 7618591 WZFWUWSHKYWUDQ-UHFFFAOYSA-N 406.555 4.809 0 40 HJAB CCc1ccc(N2C[C@@H](C(=O)Nc3c(C)cc(Br)cc3C)CC2=O)cc1 8085875 YEBSHXJPQQBIBP-INIZCTEOSA-N 415.331 4.620 0 40 HJAB CCCCCn1cnnc1SCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 8269766 HCWBGLSDHFTDHX-UHFFFAOYSA-N 416.547 4.631 0 40 HJAB Clc1ccc(-c2noc(-c3cccnc3N3CCN(c4ccccc4)CC3)n2)cc1 8587009 XWXWQFXVCQPJTM-UHFFFAOYSA-N 417.900 4.779 0 40 HJAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccncc2)cc1 10215683 JPGIDZKYERKMNA-ZJSXRUAMSA-N 401.466 4.731 0 40 HJAB C[C@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1ccc(F)c(F)c1 10237044 UHEIILPEQPNGQX-LBPRGKRZSA-N 415.440 4.900 0 40 HJAB O=C(CCc1nc(-c2ccsc2)no1)N[C@@H](c1ccc(F)cc1)c1cccs1 10292494 GDKODXKELXDHIN-IBGZPJMESA-N 413.499 4.837 0 40 HJAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1 12239550 XUXWOQFLZLKUOM-VNHYZAJKSA-N 408.468 4.755 0 40 HJAB CCOC(=O)c1c(NC(=O)C2=C(c3ccccc3)SCCO2)sc(C)c1C 12321949 YORXJRSNWYJKCI-UHFFFAOYSA-N 403.525 4.612 0 40 HJAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccccc3)n3ccccc23)cc1Cl 12342099 LZDGKICZKDSIKW-UHFFFAOYSA-N 403.869 4.967 0 40 HJAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1CCCN1C(=O)c1cccs1 12525558 LGLRMAYNCZWCOX-LJQANCHMSA-N 416.506 4.535 0 40 HJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)COc1ccc(Cl)cc1Cl 12600614 IXUKECKBYICCAE-XUWXXGDYSA-N 417.329 4.919 0 40 HJAB COc1ccc(CN(C)C(=O)c2ccc(Oc3ccccc3)cc2)c(OC)c1OC 12807445 FHRIZLNVNLDXQB-UHFFFAOYSA-N 407.466 4.777 0 40 HJAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)Nc1ccccc1SC(F)F 12815753 CHRGVTWUFCFXRQ-UHFFFAOYSA-N 418.421 4.760 0 40 HJAB Cn1c(=O)n(C)c2cc(NC(=O)N3c4ccccc4Sc4ccccc43)ccc21 13717251 KZLQJKJLKKTBPM-UHFFFAOYSA-N 402.479 4.712 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc([C@H](C)Oc2ccccc2Cl)n1C 13870579 SUJFZYZKXHFFTB-AWEZNQCLSA-N 416.934 4.648 0 40 HJAB CCCOc1ccc2c(c1)sc1ncc(NC(=O)c3ccccc3Cl)c(=O)n12 14291537 MALXOXRZNNJEIZ-UHFFFAOYSA-N 413.886 4.604 0 40 HJAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1cccc(C(=O)OC(C)C)c1)=C2 15838727 OYFGPKDSEBGSQK-UHFFFAOYSA-N 413.857 4.842 0 40 HJAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccs4)cc3O)nc2c1 17093621 QEAJFYSKYVJICW-UHFFFAOYSA-N 423.519 4.951 0 40 HJAB CCCCCn1c(SCc2nc(-c3cccs3)no2)nc2ccccc2c1=O 17270051 GDSFIDBPJWICIS-UHFFFAOYSA-N 412.540 4.991 0 40 HJAB COc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc2c(c1)ncn2C(C)C 19454994 JGALHMJVURRTRJ-UHFFFAOYSA-N 414.509 4.863 0 40 HJAB Cc1nc([C@@H]2CCCN2Cc2cccc(F)c2)ccc1C(=O)NCc1ccc(F)cc1 19709327 FZMCRJUOKNPWTB-DEOSSOPVSA-N 421.491 4.935 0 40 HJAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)cc(C(F)(F)F)c12 19742294 OCNCGJYWVJXDEH-AWEZNQCLSA-N 423.483 4.693 0 40 HJAB Cc1ccccc1[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 20043814 SFGBZEXBGVBONJ-FQEVSTJZSA-N 416.340 4.825 0 40 HJAB Cc1cccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5C)nc4nc3C2)c1 20796054 ZXRCNZMRXAWFNL-IBGZPJMESA-N 414.534 4.946 0 40 HJAB CC(C)N(C(=O)Cn1cnc2sccc2c1=O)c1ccc(Nc2ccccc2)cc1 23064828 BAMYLCZHQHJLLW-UHFFFAOYSA-N 418.522 4.643 0 40 HJAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N[C@@H]3CCOc4ccccc43)c2C)cc1 24764414 HSWAOBJNKRIWDG-MDRMPYQZSA-N 401.510 4.510 0 40 HJAB Cc1ccc(C)c(NC(=O)CN2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1 26456718 IFLZVECQQYXYOI-LJQANCHMSA-N 420.340 4.652 0 40 HJAB CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 32678629 FZAITGZAXNBVKA-UHFFFAOYSA-N 424.909 4.864 0 40 HJAB CCOc1ccc(NC(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 33326096 KDIMMSYEDIMCGL-IBGZPJMESA-N 423.538 4.777 0 40 HJAB CCc1cccc(C)c1Nc1c(-c2cc(OC)c(O)c(OC)c2)nc2cnccn12 35615740 GLBDRDYBHQVMSH-UHFFFAOYSA-N 404.470 4.734 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 35828536 IGDNOVPTPQAEFM-NJDAHSKKSA-N 422.843 4.530 0 40 HJAB COc1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c(OC)c1 38834658 AVMNWYDMNKXQOY-UHFFFAOYSA-N 423.340 4.861 0 40 HJAB O=C(Nc1ccc(-c2ccccc2)cc1Cl)c1ccc(=O)n(-c2ccc(F)cc2)n1 40086922 AKKXIPVSZGGGTB-UHFFFAOYSA-N 419.843 4.944 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(C)c(S(C)(=O)=O)c3)n2)cc1C 40140633 UCHLUJKAPUKHLL-UHFFFAOYSA-N 414.552 4.700 0 40 HJAB COc1cc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(OC)cc1Cl 51364580 RCXKWHHCYOUJNE-HNNXBMFYSA-N 424.884 4.516 0 40 HJAB CC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CC=C(c2ccc(F)cc2)CC1 57613835 VGRXEUYLEKFCRN-OAQYLSRUSA-N 409.484 4.585 0 40 HJAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)NC3CCCCC3)cc2c1 57614243 WTFFUSWZDWFNFD-UHFFFAOYSA-N 407.514 4.782 0 40 HJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cccc(SC)c3)oc12 67298961 KTRNZQRQIXMNAY-BZZOAKBMSA-N 420.490 4.919 0 40 HJAB COc1ccc(CS(=O)(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1F 69849587 YINSLBUEZPTGNB-UHFFFAOYSA-N 406.425 4.817 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)CCn2nc(C)nc2C)n1 72370037 QZMQSTBNDPJIEV-QHCPKHFHSA-N 421.520 4.548 0 40 HJAB Cc1nc(NCCCN(C)c2ccccc2)cc([C@@H](C)Cn2nc(C)c(C)c2C)n1 72373196 XKOSZPNEZUIPGZ-KRWDZBQOSA-N 406.578 4.649 0 40 HJAB CC(=O)c1cccc(NC(=O)CN(C)c2nc3c(C(F)(F)F)cccc3s2)c1 77196813 OKLBUMIYQWMKLT-UHFFFAOYSA-N 407.417 4.593 0 40 HJAB C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)CSc1ccncc1 79019167 GPWHBJJAYPMMTK-LBPRGKRZSA-N 407.326 4.925 0 40 HJAB COc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)c(Cl)c2)cc1 98086416 YQFMBQJTFSAPBD-UHFFFAOYSA-N 403.229 4.815 0 40 HJAB Cc1ccccc1Nc1nnc(SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)s1 102181068 VDCHBYQJBWBFOF-VGWMRTNUSA-N 402.589 4.623 0 40 HJAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccc(Cl)c1N1CCCC1 107927926 ZPGCBOQTCHKWFI-UHFFFAOYSA-N 424.353 4.729 0 40 HJAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(CN2CCCCCC2)cc1 219964411 MZNMKIUGWOJLAH-UHFFFAOYSA-N 424.932 4.696 0 40 HJAB CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223472100 VBQHFHKUNWCKCT-DEOSSOPVSA-N 404.485 4.540 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1Cc1ccncc1 223511659 QJRIWRQOPSZRQA-PKTZIBPZSA-N 412.518 4.909 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)c(C)c1 224010181 RSBXIZBTFSLGEV-UHFFFAOYSA-N 424.522 4.619 0 40 HJAB Cc1cc(C(=O)NC2CCCCCCC2)ccc1N(C)S(=O)(=O)c1ccccc1 224200165 YQFTUXZRWKDOOL-UHFFFAOYSA-N 414.571 4.663 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 225283794 PWDYQNPMHNKBAZ-HOTGVXAUSA-N 421.368 4.868 0 40 HJAB O=C1CC2(CCN(C(=O)Nc3ccccc3)CC2)Oc2c1cccc2C(F)(F)F 225827468 BGEYZUKQMURMHN-UHFFFAOYSA-N 404.388 4.737 0 40 HJAB C[C@@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccc(Cl)cc3)n2)C1 225936112 YWPIDUZKCDKBIS-CHWSQXEVSA-N 424.401 4.752 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Cl)cc2)cc1 408698969 QMCXUZLRCXWCCI-UHFFFAOYSA-N 404.857 4.849 0 40 HJAB O=C(O)[C@H]1CS[C@@H](c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)N1 408809088 HUWDGEXYQUYVBT-AEFFLSMTSA-N 407.322 4.785 0 40 HJAB CC[C@H](C)Oc1c(Br)cc(/C=C2/SC(=O)N(CC)C2=O)cc1OC 409074135 SBUQPZMCCQPPAX-RSYJBZMQSA-N 414.321 4.691 0 40 HJAB Cc1sc(NC(=O)CSc2nnc(-c3ccccc3)n2C)nc1-c1ccccc1 409152176 JITOVXKLUVWTDL-UHFFFAOYSA-N 421.551 4.645 0 40 HJAB Cc1ccc(NC(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)cc1C 409160688 YWHHGAJPWLCVOW-UHFFFAOYSA-N 423.538 4.919 0 40 HJAB CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(CC)cc1 409214427 VDXJZHNMKMNMSN-UHFFFAOYSA-N 414.962 4.768 0 40 HJAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3c(F)cccc3Cl)C2=O)c1 409347230 NDQXMDFOAXIXHB-MFOYZWKCSA-N 418.877 4.771 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)Nc1ccccc1 900615 OFNVMQGEAJYJRA-UHFFFAOYSA-N 400.507 4.724 0 40 HJAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cc2ccccc2oc1=O 986826 ADDAAVFQBYNCIT-UHFFFAOYSA-N 400.365 4.993 0 40 HJAB CCOc1ccccc1NC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O 1397078 DBQAMXQTTHNFAB-UHFFFAOYSA-N 417.292 4.854 0 40 HJAB COc1ccc([C@H](O)[P@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 2397670 ZBCHVPFBTSZELS-RNWIMVQKSA-N 411.438 4.573 0 40 HJAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)C1 2621931 BVUNBMMZCPZZDS-HOTGVXAUSA-N 408.523 4.625 0 40 HJAB Cc1cccc(-n2c(SCC(=O)c3ccc[nH]3)nc3sc(C)c(C)c3c2=O)c1 2624524 YRHSYXLYZVYPBA-UHFFFAOYSA-N 409.536 4.676 0 40 HJAB CC(=O)[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 2655040 LOKYUZYBROAKTI-CQSZACIVSA-N 413.688 4.819 0 40 HJAB CCOc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SC(C)C)cc1 2706341 NODRWLUMNRNPEM-UHFFFAOYSA-N 415.588 4.866 0 40 HJAB O=C(Nc1cc(F)ccc1F)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12 2779666 DABJFEXQZWEGRH-UHFFFAOYSA-N 408.286 4.539 0 40 HJAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1CCSc1ccccc1F 4463996 GLZDMMIWJQJHBF-XMMPIXPASA-N 420.509 4.608 0 40 HJAB C[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21 4555236 WVJYHISCQIDKMU-CRICUBBOSA-N 419.908 4.636 0 40 HJAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 4675142 SXLMKJRDJBWHRR-UHFFFAOYSA-N 414.870 4.733 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc34)n2C)c(C)c1 4700506 ZWBUREPTPQXFJU-UHFFFAOYSA-N 416.550 4.907 0 40 HJAB COc1cccc(-c2nnc(-c3ccccc3NC(=O)c3ccc(F)cc3F)o2)c1 4722500 HHEKQULURBYXSA-UHFFFAOYSA-N 407.376 4.943 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2C(=O)C(C)(C)C)cc1 4732750 SGMNSAQZYXENFC-LEWJYISDSA-N 404.514 4.709 0 40 HJAB Cc1ccc(OCC(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 5136941 UHGBRFJXAIALRP-UHFFFAOYSA-N 400.931 4.818 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(Cl)c3)c2)cc1 5184698 MCDFEKHNYQUNLB-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB O=C(NC1CCCCCCCCCCC1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 5193699 RTLWIWDFRRTNPH-FQEVSTJZSA-N 403.542 4.904 0 40 HJAB Clc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1cccnc1)N1NC=NC1=N2 5516539 PWKDSKMQHOTDTE-VXKWHMMOSA-N 413.868 4.539 0 40 HJAB COc1ccc(C(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)cc1 5883606 KXQKJCXYRRIQRG-UHFFFAOYSA-N 405.479 4.819 0 40 HJAB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCc1ccc2c(c1)OCO2 6242596 HKEOXVBRIGSSPH-MHWRWJLKSA-N 406.825 4.552 0 40 HJAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(CN2CCCC2)cc1 6289395 QWZZVYCGWCDLTQ-UHFFFAOYSA-N 419.550 4.571 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)c1ccc(Br)cc1 6550953 WXEUBNYHPIGMFQ-UHFFFAOYSA-N 405.679 4.954 0 40 HJAB CC(C)c1cc(C(=O)NCc2ccccc2CN2CCCC2)c2cnn(C(C)C)c2n1 8131089 WFDLNMHRAOIQAE-UHFFFAOYSA-N 419.573 4.661 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCCCCC2)cc1OC 8133135 UBDQCGVTPLYMAE-UHFFFAOYSA-N 424.950 4.538 0 40 HJAB Cc1nc2ccc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cc2nc1C 8367449 IQPJFEGOSHBSEL-KRWDZBQOSA-N 402.523 4.876 0 40 HJAB CC(C)n1nc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2c1=O 8428149 WXRQMJYIZIKGIJ-UHFFFAOYSA-N 409.795 4.902 0 40 HJAB Cc1coc2cc3oc(=O)c(CCC(=O)N[C@@H](C)CCc4ccco4)c(C)c3cc12 8879366 RFQQJABGFPEXDT-HNNXBMFYSA-N 407.466 4.819 0 40 HJAB biogenic CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)cc1OCC 8917248 RGVRQWSXPZVZRE-OAQYLSRUSA-N 407.466 4.546 0 40 HJAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(c2ccccc2F)CC1 9060851 QVDFSFUSQGGJCK-UHFFFAOYSA-N 401.441 4.596 0 40 HJAB Cc1ccnc(-n2c(C)c(C)c3c2ncn2nc(COc4ccc(Cl)cc4)nc32)c1 9305295 AIGSGACFGUTBED-UHFFFAOYSA-N 418.888 4.621 0 40 HJAB O=C(COCc1cc(-c2cccs2)on1)Nc1ccccc1C(=O)c1ccccc1 9436427 QLLLNZFZRLEPCL-UHFFFAOYSA-N 418.474 4.789 0 40 HJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 9665777 YFGKVVYVAGZJOH-UHFFFAOYSA-N 408.571 4.935 0 40 HJAB CCn1nccc1C(=O)N(Cc1cccnc1)c1nc2c(C)ccc(Cl)c2s1 11696008 DSQLNQMQWDCMFF-UHFFFAOYSA-N 411.918 4.717 0 40 HJAB CCc1onc(C)c1-c1nc(NCc2ccc(Cl)cc2)ncc1-c1cnccn1 12155943 YTVCIWVUMXHZFZ-UHFFFAOYSA-N 406.877 4.725 0 40 HJAB Cn1cc(Cl)c(C(=O)N2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)n1 12185360 TWKAFHCLIICGFX-KRWDZBQOSA-N 402.857 4.625 0 40 HJAB Cn1ccnc1[C@H](NC(=O)CSc1ccc(C(C)(C)C)cc1)c1ccccc1F 12535694 XBXHNPVDBUPERM-OAQYLSRUSA-N 411.546 4.855 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1 12540215 NWQPIJYLZPRZBP-QHCPKHFHSA-N 415.468 4.658 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2Br)cc1 12733400 PUBSKMWRVLVPBN-KRWDZBQOSA-N 424.722 4.854 0 40 HJAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1cccc(NC(=O)C2CC2)c1 12858782 MKMQCWQRGVXLOT-UHFFFAOYSA-N 406.313 4.684 0 40 HJAB O=C(c1cc(F)ccc1Br)N1CCC(CCc2ccc(O)cc2)CC1 12914702 LNHFYAJRKGNFFP-UHFFFAOYSA-N 406.295 4.779 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)c3c2C(=O)C[C@H]3C)c(Br)c1 12996567 BHROIDAAVOIZBG-VXGBXAGGSA-N 420.278 4.993 0 40 HJAB CCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(=O)oc2cc(C)ccc12 13069562 QQVPFULYYGNTLJ-UHFFFAOYSA-N 419.308 4.869 0 40 HJAB CCCOc1ccc(CN(CCC)C(=O)COc2ccc(Cl)cc2)cc1OC 13074187 GYUQXUYBDYZFSF-UHFFFAOYSA-N 405.922 4.955 0 40 HJAB CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)COc1ccc(Br)cc1Cl)C2 13109125 LQXUXTBFWOJPLA-GEWABHDNSA-N 400.744 4.812 0 40 HJAB Cc1cccc(C)c1NC(=O)COC(=O)c1cc(-c2ccccn2)nc2ccccc12 13285009 HXWFQUGXPHDWEJ-UHFFFAOYSA-N 411.461 4.709 0 40 HJAB Cc1ccc2nc(CSc3nc4sc(C)cc4c(=O)n3Cc3ccco3)[nH]c2c1 13566215 SCTOQGREJCWZOX-UHFFFAOYSA-N 422.535 4.885 0 40 HJAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)ccc1Cl 13684287 IZMNCSLVOYQHFU-UHFFFAOYSA-N 408.885 4.596 0 40 HJAB CSc1nsc(S[C@H](C(=O)Nc2ccc(C(C)=O)cc2)c2ccccc2)n1 13945450 MJKNATRWJFYKLY-INIZCTEOSA-N 415.565 4.935 0 40 HJAB COc1ccccc1[C@H](CCNc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 16228404 FBCJARMQMWDXIY-GOSISDBHSA-N 405.450 4.787 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1 16739420 YNBYQZGKNZNZGY-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB COc1ccc(CN2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)cc1 19450329 ZKQFYZJAKHXQAZ-UHFFFAOYSA-N 417.557 4.747 0 40 HJAB COc1ccc([C@H](NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c2ccccc2)cc1 19574466 MWGXROPZMDIBPE-XMMPIXPASA-N 415.493 4.669 0 40 HJAB CC(C)n1c([C@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)nc2ccccc21 19718005 BRHLKRMZAPMYJW-SFHVURJKSA-N 415.541 4.832 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1 20489135 DYUWTAGMPAIBNV-AWEZNQCLSA-N 408.361 4.958 0 40 HJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 22523196 DEMIEZKWEOMBPV-FQEVSTJZSA-N 420.475 4.828 0 40 HJAB COc1ccc(CCNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)cc1 22967048 ZLJAJOJVGKTNQE-UHFFFAOYSA-N 423.822 4.526 0 40 HJAB Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1Cl 24751169 XSXBUBUELCQDKG-ZDUSSCGKSA-N 421.353 4.852 0 40 HJAB O=C(Nc1nc(CN2CCCCCC2)cs1)c1cc(C2CC2)nn1-c1ccccc1 29636680 FKZLWQJORANYAG-UHFFFAOYSA-N 421.570 4.835 0 40 HJAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2Oc2ccccc2)c1 30857426 NILFJIGIXBDDTC-UHFFFAOYSA-N 416.886 4.756 0 40 HJAB COc1ccc2cc(CNC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)ccc2c1 31028770 FNKAAWOJRCYGRU-UHFFFAOYSA-N 414.509 4.814 0 40 HJAB C[C@@H](NC(=O)CSc1nc(NC2CC2)c2ccccc2n1)c1ccccc1Cl 32624453 KXLAFGNRHVGSCY-CYBMUJFWSA-N 412.946 4.827 0 40 HJAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1 33094082 VRTQTEPDAFVPGZ-IBGZPJMESA-N 414.292 4.785 0 40 HJAB CCc1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2C 36613270 UJMPGYANDFQQDV-UHFFFAOYSA-N 400.482 4.767 0 40 HJAB O=c1c(CN(CCCn2ccnc2)C[C@@H]2CC=CCC2)coc2ccc(Cl)cc12 36740217 VGHVKCYAPNNSQC-GOSISDBHSA-N 411.933 4.892 0 40 HJAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@H]2C(=O)Nc1ccccc1Cl 44901314 QBVNACJJJPZSLA-KRWDZBQOSA-N 410.861 4.521 0 40 HJAB O=C(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccccc1Cl 55231320 UXMMNSGFDMSMKQ-UHFFFAOYSA-N 416.912 4.958 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc(Cl)cc1 55601722 HSXDWAIPLDKRON-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1c(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)oc2c1C(=O)CC(C)(C)C2 58014352 UZLHEPRGCAUOJC-UHFFFAOYSA-N 424.478 4.848 0 40 HJAB CCc1ccc(-c2csc(NC(=O)[C@@H](c3ccccc3)N3CCC(O)CC3)n2)cc1 72232573 UHARWKULXBXPBB-JOCHJYFZSA-N 421.566 4.509 0 40 HJAB Cc1c(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)cccc1N1CCOC1=O 72303889 XEBFZLPYNGQJNO-UHFFFAOYSA-N 418.375 4.633 0 40 HJAB CCOc1ccc(-c2nc(CC(=O)N3CCC[C@H]3[C@H]3CCCCC3=O)cs2)cc1 79056511 VGDSXDPEBJTCEJ-UXHICEINSA-N 412.555 4.502 0 40 HJAB Cc1ccc(OCc2nc3ccccc3n2C[C@H](O)COc2ccc(C)c(C)c2)cc1 82086808 CWSQBFQPUMSWMO-NRFANRHFSA-N 416.521 4.980 0 40 HJAB CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3c(C)noc3C)CC2)c2ccccc21 96053040 WCAZHLRUKNFRKH-FQEVSTJZSA-N 409.574 4.571 0 40 HJAB CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 96053465 SDYTWPCIBBZWED-FQEVSTJZSA-N 412.599 4.908 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cccc(Cl)c2F)S1 96117081 BHCBNJYVQWGJGP-BDJLRTHQSA-N 409.914 4.985 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cc(F)c(F)c(F)c2)S1 96117217 AKPHFWUMNXHGHS-BZNIZROVSA-N 411.449 4.610 0 40 HJAB CC(=O)NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(C(F)(F)F)c1 100069665 OPOVAZAERJBVQJ-BWAHOGKJSA-N 408.763 4.614 0 40 HJAB COc1ccc(C2=C[C@H](c3ccc(OCc4ccccc4)cc3)n3ncnc3N2)cc1 101161413 IWTMHMAQSZYIPE-XMMPIXPASA-N 410.477 4.922 0 40 HJAB C[C@@H]1[C@@H](NC(=O)COc2ccc3c(=O)c(-c4ccc(F)cc4)coc3c2)CCC[C@H]1C 102169172 IZTVWXJSZQAIMY-VVBPWWLESA-N 423.484 4.919 0 40 HJAB Cc1ccc(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1C 102206977 BLNDSOBGMGPPSP-AJHHTPGJSA-N 405.332 4.763 0 40 HJAB CC(C)(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 103718719 KYSJOKZKWBDVBE-AWEZNQCLSA-N 404.432 4.995 0 40 HJAB CC1CCN(Cc2cccc(NC(=O)[C@]3(C)CC(c4ccccc4F)=NO3)c2)CC1 141566939 HXVMYSQBBNWGGV-DEOSSOPVSA-N 409.505 4.579 0 40 HJAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1OCc1ccccc1 218988433 SPMLEHXLUJMVAB-UHFFFAOYSA-N 419.868 4.899 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 222823528 RHTAJZZQQGFLOK-SFHVURJKSA-N 414.977 4.831 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222994420 YLVAJIFRHSHYFO-INIZCTEOSA-N 421.368 4.870 0 40 HJAB CC(C)CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223351120 JNBWXHWOMCQPQB-SANMLTNESA-N 414.549 4.771 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 223639932 UTBKOCGSEVKYKF-XMMPIXPASA-N 424.585 4.714 0 40 HJAB O=C(NCCC1CCCCCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1 223998233 ZPSGBCIDLXMYTF-UHFFFAOYSA-N 406.573 4.639 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 224260743 QXYNIUUERBUEBG-DEOSSOPVSA-N 408.586 4.995 0 40 HJAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)cc1 224389633 NYEOLIUQUUXZMT-FCHUYYIVSA-N 415.497 4.584 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 224773580 KYNVRJFDLJKWCP-NRFANRHFSA-N 418.940 4.601 0 40 HJAB CSc1ccc([C@H](CC(=O)O)NC(=S)Nc2ccc3sncc3c2)cc1 225214967 OJMLZRPUSIMYMU-HNNXBMFYSA-N 403.554 4.521 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 225486484 OHMMIGLPPSBTOM-PGRDOPGGSA-N 414.977 4.995 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C 225577256 RHGBLRXALBUAEH-GMAHTHKFSA-N 424.585 4.713 0 40 HJAB CCc1ccccc1NC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225818608 FSSFMXHKVREOJH-UHFFFAOYSA-N 400.276 4.633 0 40 HJAB C[C@H]1C[C@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NC3CCCCC3)n2)C1 226009352 FHATVRFDCSKFSB-STQMWFEESA-N 415.529 4.597 0 40 HJAB CCc1n[nH]c(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c1C 257285198 PGBPDCDQZNCCDR-LJQANCHMSA-N 412.921 4.880 0 40 HJAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 408662057 MLZAOKIYOBGKOG-HNNXBMFYSA-N 415.917 4.995 0 40 HJAB CCc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)cc1 408775341 GRIJWANIDZKODZ-UHFFFAOYSA-N 416.587 4.804 0 40 HJAB COc1ccc(Cl)cc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 409005020 YSDJQINCPPMCCF-GOSISDBHSA-N 416.905 4.649 0 40 HJAB O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1scnc1C1CC1 534056140 KQWZOEFUZKQHIB-GOSISDBHSA-N 409.580 4.611 0 40 HJAB O=C(C1CCCC1)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 643550498 INPJILMTLZVXSX-KRWDZBQOSA-N 408.933 4.946 0 40 HJAB O=C([C@H]1CC[C@@H]1c1ccc(Cl)cc1F)N1CC(OCCCc2ccccc2)C1 1137119143 VYFBINHHMWFSFB-CTNGQTDRSA-N 401.909 4.833 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 840002 BSVAZWLCTDVIEU-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCC(C)C)c(Cl)c3N2)cc1 867053 WCPYRTAOJUYXQH-KGLIPLIRSA-N 414.859 4.891 0 40 HJAB Cc1ccc(-c2nsc3c(SCC(=O)N(C)C4CCCCC4)ncnc23)cc1 1358706 IRAPLRHKJXSCTN-UHFFFAOYSA-N 412.584 4.945 0 40 HJAB COc1cccc(N2C(=O)c3cc(C)nc(SCc4ccc(F)cc4)c3C2=O)c1 1405791 IBTLFUDCCRUUIJ-UHFFFAOYSA-N 408.454 4.631 0 40 HJAB C[C@H](O)CNc1nc(SCc2ccccc2)nc2sc3c(c12)CC(C)(C)OC3 2233090 HRPMLBIJENTGDL-ZDUSSCGKSA-N 415.584 4.628 0 40 HJAB CCOP(=O)(OCC)[C@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl 2257359 PRKKMPHCQFZXIT-ZDUSSCGKSA-N 402.642 4.687 0 40 HJAB CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3ccc(F)cc3)cc2oc1=O 2265578 OSVVIJPQYYUNAQ-UHFFFAOYSA-N 418.848 4.969 0 40 HJAB O=C(Nc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccc2c(c1)OCO2 2930979 FTYUGUIBISXCJP-UHFFFAOYSA-N 403.369 4.524 0 40 HJAB CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1OC 3401349 ZEXZVMIGYQSOBN-CYBMUJFWSA-N 416.934 4.746 0 40 HJAB CCOc1ccc(NC(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1 4046695 RYYUUEOKTKFKGT-UHFFFAOYSA-N 415.445 4.876 0 40 HJAB biogenic CCOc1ccc(C(=O)N2CCN=C2SCc2cc(C)ccc2C)cc1OCC 4120310 NAFFPMWRTAHDAO-UHFFFAOYSA-N 412.555 4.846 0 40 HJAB COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)N(C(=O)CC(C)C)c3ncnn32)cc1 4816770 UBRWMZYVDYHFOL-FGZHOGPDSA-N 404.514 4.709 0 40 HJAB O=C(COC(=O)c1cccc(Br)c1)Nc1c(Cl)cccc1Cl 5397808 CJXPTESRJHKJPK-UHFFFAOYSA-N 403.059 4.551 0 40 HJAB O=C(CCCCC(=O)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 5898680 OFONMFBTHJRNRJ-UHFFFAOYSA-N 412.618 4.717 0 40 HJAB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NC(c1ccccc1)c1ccccc1 6384090 BSNNTNMUXMWUGO-GOSISDBHSA-N 412.489 4.548 0 40 HJAB COc1ccc(-c2noc(CN(C(=O)COc3ccc(C(C)C)cc3)C(C)C)n2)cc1 6736995 FFQNUTPKPYFLPW-UHFFFAOYSA-N 423.513 4.685 0 40 HJAB Cc1cccc(-c2noc(CN(C(=O)[C@H](C)Oc3cccc(Cl)c3)C(C)C)n2)c1 6737009 AGXIMHYNVZYQPY-INIZCTEOSA-N 413.905 4.903 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 6790843 KPIRUJBFCUEPRI-UHFFFAOYSA-N 420.962 4.719 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 6812347 JNFDJZVCOWVELG-MRXNPFEDSA-N 413.905 4.903 0 40 HJAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)Cc3ccc(F)cc3)n2)cc1 7780012 IXWUWBASQCFFGV-AWEZNQCLSA-N 412.486 4.625 0 40 HJAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2cccc(Br)c2)C1=O 8156975 NYXUFAVGICWLGU-NRFANRHFSA-N 409.283 4.570 0 40 HJAB C[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2cccc(Br)c2)C1=O 8156976 NYXUFAVGICWLGU-OAQYLSRUSA-N 409.283 4.570 0 40 HJAB CCOc1cc2c(cc1CNCc1cc(Cl)c3c(c1)OCCCO3)O[C@@H](C)C2 8345231 ORXRJPGNZGMECK-AWEZNQCLSA-N 403.906 4.513 0 40 HJAB Cc1ccc(NC(=O)Nc2nc(C)c(C(=O)NCc3c(F)cccc3F)s2)cc1 8771621 ZPPVAORYADKQMA-UHFFFAOYSA-N 416.453 4.612 0 40 HJAB COc1cccc(-c2nc([C@@H]3Nc4ccccc4C(=O)N3C[C@@H]3CCCO3)cs2)c1 9471078 JPKUJHFHQQGRKQ-LAUBAEHRSA-N 421.522 4.564 0 40 HJAB Cc1ccc2nc(NC(=O)CSc3nnc(C4CC4)n3-c3ccccc3)sc2c1 9836058 PXKVBYZTHQTEIC-UHFFFAOYSA-N 421.551 4.794 0 40 HJAB CCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 10361539 VAPPXXJWSYUDAX-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB O=C(NCCCCOc1ccc(Cl)cc1)c1cc(F)ccc1Br 11085181 WYNKKGXKIRSXEQ-UHFFFAOYSA-N 400.675 4.831 0 40 HJAB CCCCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1C(C)C 11565913 CDBXFVUNJDWZFB-UHFFFAOYSA-N 405.516 4.878 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1nnc(SCc2ccccc2Cl)s1 12371623 IVHXOCRYBCFWGV-UHFFFAOYSA-N 421.931 4.753 0 40 HJAB CCOc1ccc(/C=C(/C(=O)NCc2ccc(F)cc2)c2nc3ccccc3[nH]2)cc1 12566912 BFIWVJJWRAZOJE-RCCKNPSSSA-N 415.468 4.958 0 40 HJAB CC(C)Cn1c(-c2ccccc2F)nn(CN2CCc3sccc3C2)c1=S 12924910 NZAVRMRAAPYQBB-UHFFFAOYSA-N 402.564 4.953 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 12971965 KRKXHNSEOKGBNF-KBPBESRZSA-N 419.312 4.561 0 40 HJAB COc1cccc(CN(C)Cc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)[nH]2)c1 12984418 FCIVHIHTZJMJAI-UHFFFAOYSA-N 419.550 4.909 0 40 HJAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1c(Cl)cccc1Cl 13039279 SRYHKJJZEJDPQG-UHFFFAOYSA-N 418.324 4.601 0 40 HJAB Clc1cccc(N2CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)c1 13330658 KKWJQNXAPRTZAD-UHFFFAOYSA-N 413.930 4.514 0 40 HJAB C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(-c2ccccc2)cc1 14117236 BTHONSQMEAWTIX-SFHVURJKSA-N 413.521 4.535 0 40 HJAB COc1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c(OC)c1 14359893 DQJGBNXZWLMRSX-UHFFFAOYSA-N 419.506 4.774 0 40 HJAB CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)c12 16042434 WNKHATFLYYUMCW-VBKZILBWSA-N 417.502 4.509 0 40 HJAB biogenic COc1ccc(CN(C(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)C2CC2)cc1 16496679 BDZLGRMWMSJARR-UHFFFAOYSA-N 424.522 4.641 0 40 HJAB CCCCn1nnc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1 17083315 HRUHLMKAKBRRHG-FNORWQNLSA-N 406.273 4.692 0 40 HJAB O=C(NCc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1)[C@H]1C[C@H]1c1ccccc1 17094055 GURVXEIOYUGWNL-POYMRFPPSA-N 424.544 4.526 0 40 HJAB COc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c(O)cc(=O)[nH]c23)c(OC)c1 18181671 HPEICIGLBWLNLO-UHFFFAOYSA-N 422.384 4.546 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2cccc(F)c2)n1 19525586 IMBKMLLVMUAHFE-NRFANRHFSA-N 404.489 4.998 0 40 HJAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2C(=O)Cc2csc(C)n2)n1 19687002 OBAADKVTTZVGNX-JOCHJYFZSA-N 409.530 4.791 0 40 HJAB O=C1S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1CN1CCCCC1 19911696 MIEUGUIQMWTOAG-RCCKNPSSSA-N 408.523 4.745 0 40 HJAB CC[n+]1c(/C=C/c2c3ccccc3c3n(C)c(=O)c4c(n23)CCC4)oc2ccccc21 27232665 PRQCQJVPVDVRQY-UHFFFAOYSA-N 410.497 4.504 0 40 HJAB COc1ccccc1CN(Cc1cccs1)C(=O)c1cnn(-c2ccccc2)c1 30476642 SEYMJLZKDCRYNF-UHFFFAOYSA-N 403.507 4.785 0 40 HJAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 30871330 WGDORQGARIOSRD-UHFFFAOYSA-N 400.522 4.757 0 40 HJAB COc1cccc(Cn2nc(C)c(NC(=O)c3ccc(Br)cc3)c2C)c1 32609741 JEPQKKVIBGRWHM-UHFFFAOYSA-N 414.303 4.572 0 40 HJAB CCOc1cc(CN(C(=O)Nc2ccc3c(c2)OCO3)C2CC2)ccc1OC(F)F 32869828 ZYKPAMSJFIWCOI-UHFFFAOYSA-N 420.412 4.612 0 40 HJAB c1cncc(-c2nnc(Sc3nc(-c4ccncc4)nc4ccccc34)n2C2CC2)c1 32899823 GARWBHATAMQTSJ-UHFFFAOYSA-N 423.505 4.831 0 40 HJAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc(Br)ccc1Cl 32983803 ORHWCNLOWJVJKQ-SFHVURJKSA-N 407.739 4.669 0 40 HJAB Cc1ccc(N2CCN(c3nccn4nc(-c5ccc(Cl)cc5)cc34)CC2)cc1 33266342 UJWQMHORCPGNHE-UHFFFAOYSA-N 403.917 4.685 0 40 HJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2F)cc1 40155085 LCBCEYFAOZZEHW-XNTDXEJSSA-N 424.497 4.895 0 40 HJAB O=c1cc(-c2ccccn2)nc2n(Cc3c(F)cccc3Cl)c3ccccc3n12 40484992 UPRNSUPPSFARPW-UHFFFAOYSA-N 404.832 4.552 0 40 HJAB O=C(Nc1ccc(Br)cc1)c1cc(-c2ccc(Br)cc2)[nH]n1 44837429 BCIZSAMBTDKMAM-UHFFFAOYSA-N 421.092 4.854 0 40 HJAB CCOc1ccc(CNC(=O)c2ccc(CN3CCCCCC3)cc2)cc1OCC 44905195 NBRNUWHEEVPICV-UHFFFAOYSA-N 410.558 4.790 0 40 HJAB CCOC(=O)[C@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)C1 45887660 QBUXEATUSGELPH-LBPRGKRZSA-N 419.264 4.718 0 40 HJAB C[C@@H](C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c1)n1cccn1 46007145 DPLPYFXLWBGHPW-HNAYVOBHSA-N 409.515 4.513 0 40 HJAB CC(C)[C@@H](NC(=O)Nc1cc2c(cc1Br)OCCO2)c1cccs1 48314689 KQOCENVPJHGTNN-MRXNPFEDSA-N 411.321 4.801 0 40 HJAB COC(=O)c1nc(NC(=O)c2sc(C)nc2C)sc1-c1ccccc1Cl 72404196 IKIWHNMAHFIHMN-UHFFFAOYSA-N 407.904 4.576 0 40 HJAB NC(=O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2Cl)o1 73638302 BJBWXXSHXYEWEX-DUXPYHPUSA-N 405.473 4.624 0 40 HJAB C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(N2CCCC2=O)c1 95951103 NCUBPDQHVYNQMT-KRWDZBQOSA-N 415.493 4.610 0 40 HJAB CO[C@H]1CCN(c2ccc(NC(=O)NC(c3ccccc3)c3ccccc3)cc2)C1 96122336 CDSPDQCENKRBRM-QHCPKHFHSA-N 401.510 4.823 0 40 HJAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc(Br)c(C(F)(F)F)c1 98072878 ZXNVSXDDONYJKF-UHFFFAOYSA-N 414.630 4.922 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219684961 INHGVLNJUIBJCQ-SUMWQHHRSA-N 404.304 4.635 0 40 HJAB Cc1ccc(CSCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223720685 WIPUKKKAPCJGQH-FQEVSTJZSA-N 424.610 4.704 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCCC3)cc2)cc1 223995621 QEBAVPZFZDOMHB-UHFFFAOYSA-N 418.584 4.662 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224120078 HNMZRRQSYHKULD-UHFFFAOYSA-N 422.550 4.943 0 40 HJAB CCOc1ccc(CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OC 224988874 ZHRCMBPVFCRVPY-UHFFFAOYSA-N 405.922 4.654 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)NCC(C)C 225340669 NMCCRNSOIOAEGC-QHCPKHFHSA-N 408.542 4.747 0 40 HJAB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OC)c2)CCC(C)CC1 225856433 MJSFQOSKZDYCPX-WCCYLALTSA-N 405.535 4.965 0 40 HJAB CCn1ncc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)c1C 253370746 VKRFPVDWWWRUGS-RYXOTWDWSA-N 410.602 4.889 0 40 HJAB Cc1ccc2[nH]c(C(=O)N(CCc3ccccc3)CC(=O)O)c(-c3ccccc3)c2c1 257225464 FGHQZPNLYUOGSD-UHFFFAOYSA-N 412.489 4.913 0 40 HJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 257241615 HYTPZIBXUFMUJQ-UHFFFAOYSA-N 403.526 4.946 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1 408584295 NWRXWWMVIFHGKE-UHFFFAOYSA-N 416.587 4.767 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)o2)C1=O)Nc1cccc(F)c1 409220885 HHJJDHFBXKFMIZ-XDHOZWIPSA-N 422.437 4.761 0 40 HJAB O=C(NC[C@@H]1CCN(C2CC2)C1)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 503290841 XZWYTUAMXDIOIY-BTYIYWSLSA-N 419.352 4.714 0 40 HJAB O=C(NCC(=O)N1CCc2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1 522400454 YQJWAFPHZMEXTL-UHFFFAOYSA-N 424.422 4.692 0 40 HJAB O=C(NCCC1CCN(C(=O)c2sccc2Cl)CC1)c1sccc1Cl 552588626 JESUHTLCALPTAX-UHFFFAOYSA-N 417.383 4.789 0 40 HJAB O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc(-c2ccsc2)cc1 585304581 AWIKMVIMLVHVGX-GOSISDBHSA-N 417.456 4.838 0 40 HJAB CN1C(=O)CCc2cc(C(=O)Nc3ccc(Cl)cc3[C@H](O)c3ccccc3)ccc21 1639300829 DHOLVIZURVHQBU-HSZRJFAPSA-N 420.896 4.583 0 40 HJAB Nc1c(C(=O)Nc2cccc(F)c2)sc2nc(-c3ccc4c(c3)OCO4)ccc12 661475 FKQKCQMJPYLATM-UHFFFAOYSA-N 407.426 4.666 0 40 HJAB CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)Nc3cccnc3Cl)cc2N1 1009271 MAEAIWSKYLJDKN-RYUDHWBXSA-N 401.820 4.518 0 40 HJAB COc1ccc(OCCCC(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1 1904158 MZSCSPOBXREATD-UHFFFAOYSA-N 420.461 4.817 0 40 HJAB CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(C(C)(C)C)cc1 2463421 MRKDQAIPKLSDRN-SJLPKXTDSA-N 400.544 4.586 0 40 HJAB COC[C@H](C)n1c(S[C@@H](C)C(=O)c2cccc(Cl)c2)nc2ccccc2c1=O 2665000 QRFPELOWMLTXQO-KBPBESRZSA-N 416.930 4.621 0 40 HJAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 3034967 ZHKBCFFMQKTHBO-QGZVFWFLSA-N 409.269 4.787 0 40 HJAB CC(C)OP(=O)(OC(C)C)[C@@H](Cc1ccccc1)NC(=O)Cc1ccccc1 3078146 DDVZEUOZAMWQKR-QFIPXVFZSA-N 403.459 4.957 0 40 HJAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cc1 3458912 IIDDEGYFBDQGQL-JTQLQIEISA-N 407.854 4.657 0 40 HJAB C[C@H]1CN(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)C[C@H](C)O1 3492368 GCFMGQVXAOKFMY-IRXDYDNUSA-N 408.523 4.737 0 40 HJAB Nc1c(C(=O)Oc2ccccc2)sc2sc(C(=O)Oc3ccccc3)c(N)c12 3850671 POJJXRIHELNNTA-UHFFFAOYSA-N 410.476 4.566 0 40 HJAB biogenic NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1cccc(C(F)(F)F)c1 4177687 AQZLVGBFJQPSFE-KQWNVCNZSA-N 411.177 4.545 0 40 HJAB O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc(Cl)cc3)c(=O)n1C2 4237111 PFMAIDAYKZCLKO-QFBILLFUSA-N 410.945 4.695 0 40 HJAB biogenic,in-vitro O=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)N1CCCC1 4292767 QDEIKPLXEXUVMZ-UHFFFAOYSA-N 419.472 4.818 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1ccncc1)N(C(=O)Cc1cccs1)c1ccccc1 4847977 MEXHEPBBKXQOKS-HSZRJFAPSA-N 419.550 4.519 0 40 HJAB CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccc(Br)cc12 5125579 JRCPLKQXOKLJES-UHFFFAOYSA-N 416.271 4.858 0 40 HJAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2OC)cc1 5186065 RBPXPQXCSJAWJI-LCUIJRPUSA-N 400.434 4.935 0 40 HJAB COc1ccc(-c2c(C)nn3c(NCCc4ccccc4)cc(C)nc23)cc1OC 5243503 QHPPGCHSQSGIJY-UHFFFAOYSA-N 402.498 4.685 0 40 HJAB COC(=O)CSc1c(Cc2ccccc2)c(C)nc2c(-c3ccccc3)c(C)nn12 5563011 FQWINNFWTSVBLF-UHFFFAOYSA-N 417.534 4.869 0 40 HJAB CN(C(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1)C1CCCCC1 6164595 IJDMOXIEXZKIKW-UHFFFAOYSA-N 421.493 4.960 0 40 HJAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(Cl)s1 6325062 VMLLALJYBSKREK-DJKKODMXSA-N 410.724 4.709 0 40 HJAB COCCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1ccc(Cl)cc1 6743321 LTBAPOKHFOZDEH-HXUWFJFHSA-N 411.885 4.645 0 40 HJAB Cc1ccc(N2C(=O)CS[C@]23C(=O)N(Cc2cccc(F)c2)c2ccccc23)cc1 6997185 CEROAPRWZXVENQ-XMMPIXPASA-N 418.493 4.614 0 40 HJAB O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1ccc(F)cc1 7545028 HHEQEHVMSANJMW-GOSISDBHSA-N 415.468 4.775 0 40 HJAB COc1ccc(Cl)cc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 7655428 OZYAKURDBOMIIE-IBGZPJMESA-N 408.885 4.849 0 40 HJAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NCc1ccc2c(c1)OCO2 7753947 WMFSDKIUJDEURB-UHFFFAOYSA-N 416.452 4.952 0 40 HJAB O=C(N[C@H]1CCSc2ccccc21)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 8312034 KYYRAXBQTLPSKD-LPHOPBHVSA-N 414.958 4.546 0 40 HJAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 8562873 IARFENMLCQGNSY-IBGZPJMESA-N 414.505 4.996 0 40 HJAB O=C([C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)c2ccccc2O1)N1CCCCC1 8899643 INSXUERQXNJLGR-NRFANRHFSA-N 424.884 4.507 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 10677910 NPHSAMNWVXJGFA-CQSZACIVSA-N 404.297 4.605 0 40 HJAB COc1ccc(CCNc2ncc(-c3cc(C)no3)c(-c3cccs3)n2)cc1OC 12154273 VQHDYOIAEBEDBA-UHFFFAOYSA-N 422.510 4.840 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1nc(CSCc2ccc(F)cc2)cs1 12230243 BMEHCMUSKYNMRB-UHFFFAOYSA-N 418.515 4.985 0 40 HJAB CSCC[C@H](NC(=O)CCC(=O)c1ccc(C)s1)c1nc2ccccc2[nH]1 12544277 MNNLPMXBTPHRFR-INIZCTEOSA-N 401.557 4.506 0 40 HJAB CC(=O)c1ccc(N2CCN(Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)c(F)c1 12556326 RRWCPLUIQHWLBT-UHFFFAOYSA-N 413.880 4.659 0 40 HJAB Cc1cc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c2nc3n(c2n1)CCCCC3 12824077 RLEPDDAJCCRDII-UHFFFAOYSA-N 419.529 4.703 0 40 HJAB CCc1cc2cc3c(cc2nc1SCC(=O)c1ccc(NC(C)=O)cc1)OCCO3 13503653 DCDFCEVMMNDVMS-UHFFFAOYSA-N 422.506 4.502 0 40 HJAB O=C(COC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)Nc1ccc(Cl)cc1 13578978 CWDCCVUJUUMHTL-UHFFFAOYSA-N 423.856 4.780 0 40 HJAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 13685693 PAHKUSXIYFPSSK-IBGZPJMESA-N 402.494 4.639 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccccc1F 13757782 HVUFVBBWSSEYOL-QHAWAJNXSA-N 422.843 4.530 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)cc1 14154769 AIDILKMFOVHAIN-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(C)c(Cl)c3)cs2)cc1 15881016 VVONMMRHIAGDQZ-UHFFFAOYSA-N 415.902 4.547 0 40 HJAB COc1ccc(NC(=O)CCc2csc3nc(-c4ccccc4)cn23)c(OC)c1 16848719 TZHACFPPTIEIFF-UHFFFAOYSA-N 407.495 4.651 0 40 HJAB CC(=O)NC1(c2ccccc2F)CCN(Cc2cccc(OC3CCCC3)c2)CC1 19021125 GXJGBHKLRCUOGX-UHFFFAOYSA-N 410.533 4.775 0 40 HJAB OC1(Cn2ccc3ccncc32)C[C@@H]2CC[C@H](C1)N2Cc1ccc(Cl)c(Cl)c1 19292826 DJDIFVMYVHWIBW-VSOVRNOCSA-N 416.352 4.901 0 40 HJAB Cc1cc(Oc2ccc(NC(=O)Cc3ccsc3)cc2)cc(C2CCNCC2)n1 19570467 AZUOVDPKVSEDEF-UHFFFAOYSA-N 407.539 4.892 0 40 HJAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)Cc2csc(C)n2)n1 19687000 OBAADKVTTZVGNX-QFIPXVFZSA-N 409.530 4.791 0 40 HJAB O=C(C[C@@H]1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 19817407 BZZYAIBNJLUXRJ-HXUWFJFHSA-N 422.916 4.939 0 40 HJAB Cc1sc(NC(=O)c2ccco2)c(CN2CCN(Cc3ccccc3)CC2)c1C 20192525 VUDAAHGTVVULMQ-UHFFFAOYSA-N 409.555 4.528 0 40 HJAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)c12 22320229 LELSDHDINKQKFU-UHFFFAOYSA-N 412.453 4.776 0 40 HJAB O=C(/C=C/c1ccc2ccccc2c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23001948 FTVXKKXQVMYXDO-UXBLZVDNSA-N 411.427 4.616 0 40 HJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 24460528 IKQZQNCSLDFTIO-KGLIPLIRSA-N 409.313 4.658 0 40 HJAB Cc1ccc(C(=O)c2ccccc2C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1 24863148 SKSWQVLMQWTKRW-UHFFFAOYSA-N 414.505 4.554 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2C)cc1C 30755401 KRFKTKHSXREPDK-UHFFFAOYSA-N 414.571 4.817 0 40 HJAB Cc1ccc(-c2noc([C@@H](C)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2)cc1F 32901384 JJEGBUXDECEGPF-SJLPKXTDSA-N 408.477 4.596 0 40 HJAB COc1ccc(-c2cc(C(=O)N3CCCc4cc(C)ccc43)c3cnn(C)c3n2)cc1 36613540 LUQZFDXAALEKCA-UHFFFAOYSA-N 412.493 4.545 0 40 HJAB Cc1ccc([C@H](CNCc2ccc(-c3nc4ccccc4s3)o2)N2CCOCC2)o1 40017175 KILLCUMVJKXZKH-IBGZPJMESA-N 423.538 4.621 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2CC)sc2c1CCCC2 44842686 TZANFPIZMIHVEV-CQSZACIVSA-N 401.528 4.772 0 40 HJAB O=S(=O)(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cc(Cl)ccc1Cl 44892157 FFTOAGUSWOPZDF-OAHLLOKOSA-N 412.298 4.522 0 40 HJAB O=C(CCc1ccco1)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 45211287 SQSMBCLFXHSESJ-UHFFFAOYSA-N 400.950 4.568 0 40 HJAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCC([C@H](O)c4ccccc4)CC3)cc12 48273456 CAGLWFKCTJGCMO-OAQYLSRUSA-N 411.571 4.648 0 40 HJAB CCc1cccc(NC(=O)CSc2nccn3nc(-c4ccccc4OC)cc23)c1 57511130 XNRPNAPAYRBZRT-UHFFFAOYSA-N 418.522 4.698 0 40 HJAB COc1cccc(OCCNC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 58158771 ZIUQVVSLXQQBCM-UHFFFAOYSA-N 420.469 4.540 0 40 HJAB O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccccc1 72341436 JUNUIEZXUONSIU-CTNGQTDRSA-N 409.530 4.666 0 40 HJAB CC(=O)Nc1ccc(CN2CCC(c3cncc(-c4ccccc4C)n3)CC2)cc1 72359717 FSKPXVWCANWAPS-UHFFFAOYSA-N 400.526 4.790 0 40 HJAB O=C(Nc1cnc(Br)cn1)[C@H](Sc1ccccc1)c1ccccc1 78899462 SJFUXDKQGDVOKW-QGZVFWFLSA-N 400.301 4.711 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 95482459 UVNPTOIOWYQKDK-QGZVFWFLSA-N 420.296 4.859 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)C1(c2cc(F)ccc2F)CCC(CCO)CC1 95642058 LIBSHEAFIYMJFX-UHFFFAOYSA-N 414.901 4.860 0 40 HJAB CCn1c(-c2c(C)oc3ccccc23)cs/c1=N/S(=O)(=O)c1ccc(F)cc1 100972682 MZTRRQIELACNMX-LSDHQDQOSA-N 416.499 4.720 0 40 HJAB CCn1cc(-c2cc(C(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c3ccccc3n2)c(C)n1 101596808 APRSLILKLAXMSM-ZCDKGFTFSA-N 402.542 4.981 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 102531320 LQOPOFPJRSVIOF-HOTGVXAUSA-N 416.399 4.637 0 40 HJAB COc1ccc(CN2C(=O)/C(=C\Nc3ccc(C)cc3C)c3ccccc3C2=O)cc1 105010941 WBPYDVJUOPWJAG-HAHDFKILSA-N 412.489 4.948 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 222530742 JWWDGRALZFQFJA-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 223254392 SNTIJXNGEMZETR-HSZRJFAPSA-N 424.585 4.713 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1c(F)cccc1Cl)[C@H](C)C(=O)NCC(C)C 224142475 GZOLYYJYBGEVLO-QGZVFWFLSA-N 418.940 4.520 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1COCc1ccccc1 224749841 QHJYYTQTIXYHIW-UHFFFAOYSA-N 419.477 4.841 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 225482501 DVCXQBVYNGCMHT-OFNKIYASSA-N 424.585 4.713 0 40 HJAB COc1cc2c(cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1)CCCC2 225533985 VMEQBKYBOHUJEL-UHFFFAOYSA-N 421.562 4.965 0 40 HJAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCCC4)cc3)CCOCC2)c1 225567066 BVRLUECDKBQJPI-UHFFFAOYSA-N 422.569 4.547 0 40 HJAB COc1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c(OC)c1 225609233 SUZISSKIMNECII-UHFFFAOYSA-N 410.992 4.967 0 40 HJAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 225697588 ICZPHIJOVXJGOQ-NRFANRHFSA-N 416.565 4.757 0 40 HJAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccc(Cl)c(C(F)(F)F)c1 225734636 NAOCNWGEMBSCRL-UHFFFAOYSA-N 415.198 4.966 0 40 HJAB CCCO[C@]1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OCC)c2)CCC[C@H](C)C1 225854101 UGRGAJDWRVMGCA-GAJHUEQPSA-N 405.535 4.965 0 40 HJAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3cc4c(nc3O)CCC4)C2)n1 257225924 FIKWRTUXVNPAAD-FQEVSTJZSA-N 413.521 4.666 0 40 HJAB O=C(O)c1cnc(N2CCCC[C@H]2Cc2ccccc2)nc1CCc1ccc(F)cc1 257265137 LXLPDHCCAOOAAD-NRFANRHFSA-N 419.500 4.701 0 40 HJAB O=C(c1ccnc(-c2cncnc2)c1)N1CCC[C@H](Cc2cccc3cccnc23)CC1 257315395 VBDBAAINPQYNAI-IBGZPJMESA-N 423.520 4.572 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCCCC2)cc1 408626276 WAGNKLUWUHSBIH-UHFFFAOYSA-N 400.544 4.639 0 40 HJAB CCOc1cc(Br)c(/C=C2/SC(=O)N(C(C)C)C2=O)cc1OCC 409023309 XRMPZOYZIDIWFV-OVCLIPMQSA-N 414.321 4.691 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)ccc2C)c1 409368032 LSTUIPQZTCXUJM-GOSISDBHSA-N 408.523 4.595 0 40 HJAB O=C(c1cccc(O)c1)N1CC2(CCOCC2)c2cc(-c3cccc(F)c3)ccc21 585105837 SGNPWRURWDBSHX-UHFFFAOYSA-N 403.453 4.907 0 40 HJAB CC(C)(CNc1nc(C(F)(F)F)nc2ccccc12)N1CCc2ccccc2C1 1184750516 OJOWGIBEVHRORA-UHFFFAOYSA-N 400.448 4.897 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@H](O)c1cc(-c2ccco2)cs1 1775968680 KUIBXDBWIRXWST-INIZCTEOSA-N 405.903 4.669 0 40 HJAB O=C1CN(c2ccc(Cl)c(Cl)c2)C(=O)CN1c1ccc(Cl)c(Cl)c1 873034 LBJZPGKWQVGQGH-UHFFFAOYSA-N 404.080 4.680 0 40 HJAB COC(=O)c1cc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)oc1C 1428251 JTXAQSFVPSIABI-UHFFFAOYSA-N 424.453 4.505 0 40 HJAB CC[C@]1(C(=O)c2ccccc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)Nc1ccccc1 1442588 OEJZGHBJYQRMAI-BYXVTNLJSA-N 411.457 4.607 0 40 HJAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)n2)c(C)c1 1518530 NOJFEVKKTFPIGQ-UHFFFAOYSA-N 419.506 4.641 0 40 HJAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1ccc(F)cc1F 2091711 OXOBUTJLUBWGMQ-UHFFFAOYSA-N 407.372 4.756 0 40 HJAB biogenic O=c1[nH]c(-c2ccc(OCCOc3ccccc3)cc2)nc2sc3c(c12)CCCC3 2298522 YWJFGXDXWGHODD-UHFFFAOYSA-N 418.518 4.988 0 40 HJAB COC(=O)c1ccc(COC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)o1 2658293 ZGCMDQGOOMPUSV-UHFFFAOYSA-N 401.418 4.947 0 40 HJAB O=S(=O)(c1ccccc1)c1cnc(-c2ccccn2)nc1-c1ccc(Cl)cc1 3125519 ZEKVJVOCYLQQHB-UHFFFAOYSA-N 407.882 4.692 0 40 HJAB O=C(O)c1ccc(/C=C2\CCC(C(=S)Nc3ccccc3)=C2N2CCOCC2)cc1 3180254 RSSZPLNSBYBGAU-KNTRCKAVSA-N 420.534 4.588 0 40 HJAB COc1ccc(C(C)(C)C)cc1NC(=O)COc1ccc(F)cc1Br 3287672 ULPBPGHIQHQWBB-UHFFFAOYSA-N 410.283 4.912 0 40 HJAB CCN(CC)CCOC(=O)c1cccc(-c2ccccc2)c1OCCN(CC)CC 4416993 WFUKEIRQJYEHNN-UHFFFAOYSA-N 412.574 4.573 0 40 HJAB CC(C)c1ccc(Cc2nnc(NCCc3c[nH]c4ccc(Cl)cc34)[nH]c2=O)cc1 4818470 HKJIATGRGMKOQI-UHFFFAOYSA-N 421.932 4.668 0 40 HJAB COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)c2ccccc2)cc1 4871439 SYZMDNSLXOPPRV-JOCHJYFZSA-N 416.477 4.704 0 40 HJAB CC(C)CCC[C@H](C)NC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 5554376 RYTRTBGHTVYRJW-INIZCTEOSA-N 419.529 4.753 0 40 HJAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 6330323 LMWJKRTVEQKHOC-MMDVMMEASA-N 409.294 4.578 0 40 HJAB COc1ccc(N2C(=O)C[C@]2(C(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 6719823 RXRUEKGTMXUFRY-RUZDIDTESA-N 400.478 4.583 0 40 HJAB COc1cc(OC)cc(C2=NC3(CCCC3)N=C2SCC(=O)Nc2ccccc2)c1 6818793 FQOULGPJTLYRRE-UHFFFAOYSA-N 423.538 4.547 0 40 HJAB CCOc1ccc(-n2c(SCC(=O)c3ccco3)nnc2-c2ccccc2)cc1 6822232 PDCQJSQTVDJTAJ-UHFFFAOYSA-N 405.479 4.901 0 40 HJAB COc1ccccc1-c1nnc(S[C@H](C)c2nnc(-c3ccc(F)cc3)o2)n1C 7151478 XWIBXWGOGBCLDX-GFCCVEGCSA-N 411.462 4.533 0 40 HJAB O=C(NCCSCc1ccccc1F)c1cc(Br)ccc1Cl 7637851 CDEINWLDPQLWCP-UHFFFAOYSA-N 402.716 4.905 0 40 HJAB Fc1ccc(-c2csc3ncnc(Sc4nnc(CN5CCCC5)o4)c23)cc1 8201028 NSHNKDKQUZGQFF-UHFFFAOYSA-N 413.503 4.627 0 40 HJAB Cc1ccc(NC(=O)Nc2nc(C(=O)N[C@H](C)CCc3ccccc3)cs2)cc1 9317833 VSVLOZNRSPBISN-MRXNPFEDSA-N 408.527 4.847 0 40 HJAB O=C(CSc1nnc(Nc2ccc(F)cc2)s1)N[C@H]1CCCc2ccccc21 9365957 GAQUJJZZPBMMEK-KRWDZBQOSA-N 414.531 4.707 0 40 HJAB Brc1ccccc1-c1nnc(SCc2nc(-c3cccs3)no2)o1 9496212 AKNRWZGLFZGCKX-UHFFFAOYSA-N 421.301 4.903 0 40 HJAB Cc1cc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)no1 9581401 GAYLKGIHBWLNAY-UHFFFAOYSA-N 421.840 4.647 0 40 HJAB Cc1sc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc1-c1ccccc1 9581722 FAKSZVOZIHABLF-OAHLLOKOSA-N 411.914 4.764 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 9753929 CZPJOSNYWKAEIN-VGSWGCGISA-N 422.916 4.580 0 40 HJAB Cc1ccc(C(=O)NCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 10041707 IYHFSUBTEFBWFD-HSZRJFAPSA-N 421.880 4.546 0 40 HJAB COc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)c(OC)c1 10119477 WLLIEHFTFRVDRO-UHFFFAOYSA-N 404.422 4.778 0 40 HJAB CCOc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cc1 11239028 DZTAKSYYKFFWCK-UHFFFAOYSA-N 414.509 4.789 0 40 HJAB Cc1cc(I)ccc1S(=O)(=O)Oc1ccc2ccccc2c1 11613891 PIMNHCUQTWEJCT-UHFFFAOYSA-N 424.259 4.521 0 40 HJAB CCCCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1C(C)C 12408934 LKGLWWSMRONSSF-UHFFFAOYSA-N 406.548 4.656 0 40 HJAB CC[C@H](C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1C)c1ccccc1 12441192 AMWMAEGCGOINFJ-IBGZPJMESA-N 400.482 4.846 0 40 HJAB CCCCc1noc(CSc2nc3ccccc3c(=O)n2-c2ccccc2F)n1 12735092 OPCFRRQWVWLBCU-UHFFFAOYSA-N 410.474 4.543 0 40 HJAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12746289 MFWPQFWXIXVXQK-QGZVFWFLSA-N 407.388 4.724 0 40 HJAB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(Br)o1 13016259 KDOKZZURQADCHJ-UHFFFAOYSA-N 417.650 4.682 0 40 HJAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)c1ccc(Br)cc1 14137250 XSVGTCVPDXGHOP-UHFFFAOYSA-N 417.250 4.722 0 40 HJAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3ccccc3O)cc2)c1C 14405367 MXWWWEKUKSWYRM-UHFFFAOYSA-N 406.486 4.510 0 40 HJAB COc1ccccc1Cn1ccnc1SCC(=O)Nc1ccc(C)c(Cl)c1 15825678 SXXFPFLVUFBFTG-UHFFFAOYSA-N 401.919 4.633 0 40 HJAB CCOC(=O)/C(=C/Nc1cccc(OCc2ccccc2)c1)NC(=O)c1ccccc1 17126200 ZSLCIIZWVBDBCU-QJOMJCCJSA-N 416.477 4.512 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nccn2nc(-c3ccccc3)cc12 17315985 HSUAXWIUMDVJDQ-UHFFFAOYSA-N 404.495 4.526 0 40 HJAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)CC2CCCC2)cc1 19694361 MJPJDZIBEUXWHH-QFIPXVFZSA-N 422.573 4.852 0 40 HJAB COc1cc(NC(=O)c2ccc3nc(C(F)(F)F)sc3c2)cc(OC)c1OC 20730433 JMAZUSDMNCWFEX-UHFFFAOYSA-N 412.389 4.593 0 40 HJAB CCc1ccc2nc(Nc3nc(C)c(Cc4cccc(Cl)c4)c(=O)[nH]3)nc(C)c2c1 20797976 DUYXUNIGLZUEHL-UHFFFAOYSA-N 419.916 4.880 0 40 HJAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cc(-c2cccs2)on1 21805447 WSORETWKEXYVDF-QGZVFWFLSA-N 401.919 4.623 0 40 HJAB CCN1CCN(CC(=O)c2cc(C)n(C(c3ccccc3)c3ccccc3)c2C)CC1 22784534 NXCJCBIYRIQWFQ-UHFFFAOYSA-N 415.581 4.563 0 40 HJAB COc1ccc(-n2c(C)nc3ccc(NC(=O)c4ccccc4Cl)cc3c2=O)cc1 23143831 JIWHHLAHNRAJPQ-UHFFFAOYSA-N 419.868 4.608 0 40 HJAB Cc1ccc(-n2c(S[C@@H](C)c3nc(C(C)(C)C)no3)nnc2N2CCCC2)cc1 24047910 SPKRARVFIJYPGE-HNNXBMFYSA-N 412.563 4.710 0 40 HJAB Cc1nn(-c2ccc(NC(=O)c3ccc(F)cc3F)cc2)c(C)c1Br 27924686 QYYJLIMBMLYRDC-UHFFFAOYSA-N 406.230 4.782 0 40 HJAB C[C@@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@@H]1c1ccccc1 28048109 XEWCVMZHDIPLMD-MWTRTKDXSA-N 420.896 4.678 0 40 HJAB C[C@@H](Sc1ncnc2cc(-c3ccc(Br)cc3)sc12)C(=O)N(C)C 29970932 ZRVMRJXRRLHERE-SNVBAGLBSA-N 422.373 4.690 0 40 HJAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(N2CCCCC2)nc1 32883903 IVLUCINKWJYCPY-UHFFFAOYSA-N 400.548 4.679 0 40 HJAB CC(C)CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 32983464 FIMDGSGECCBHMV-UHFFFAOYSA-N 418.419 4.963 0 40 HJAB Cc1ccccc1NC(=O)Nc1ccccc1SCc1cc(=O)n2ccccc2n1 33026584 AIEXBPUNONJIFD-UHFFFAOYSA-N 416.506 4.939 0 40 HJAB Cc1ccc(NC(=O)CSc2nc(N3CCCCC3)nc3ccccc23)cc1C 33114722 HAPYOMPFCRAVCK-UHFFFAOYSA-N 406.555 4.968 0 40 HJAB Cc1csc(NC(=O)CSc2nc(-c3ccccc3)c3nc(C)sc3n2)n1 35682635 CNCKTHOZKWKGER-UHFFFAOYSA-N 413.553 4.557 0 40 HJAB COc1cc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c(OC)cc1Cl 39758899 LGSZVIPGBUYLCA-UHFFFAOYSA-N 423.340 4.861 0 40 HJAB CC[C@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1 40141234 XEOFVTWKGATFJN-QHCPKHFHSA-N 407.535 4.850 0 40 HJAB CC(=O)c1cn(CCC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c2ccccc12 40309621 JCVYTKBDSZSULV-UHFFFAOYSA-N 407.901 4.728 0 40 HJAB biogenic O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCC[C@H]1c1ccsc1 47674501 YFLFQZVCTNCLQL-INIZCTEOSA-N 407.421 4.717 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)c(C)c1 57426020 RELYHUBOXSYSEU-UHFFFAOYSA-N 415.584 4.852 0 40 HJAB CCN(CC)CCNC(=O)c1ccc(NC(=S)Nc2cccc(Cl)c2C)cc1 71761781 IBGUBBJKGCPCJI-UHFFFAOYSA-N 418.994 4.529 0 40 HJAB CCN(C(=O)C1CCN(C(=O)OCC(C)C)CC1)[C@@H](Cc1ccc(F)cc1)C(C)C 72303433 KMJMJFVZKPIGMI-QFIPXVFZSA-N 420.569 4.746 0 40 HJAB O=C(NCc1ccccc1C(F)(F)F)c1cn[nH]c1-c1cccc(Br)c1 72329065 QDFWYUQMWCNXBX-UHFFFAOYSA-N 424.220 4.788 0 40 HJAB O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 72341435 ZGFPMJITQAXRLK-FPOVZHCZSA-N 409.530 4.666 0 40 HJAB COc1ccc([C@@H]2N=C(c3ccccc3O)C[C@H](c3cc(OC)ccc3OC)N2)cc1 80325083 XLOIZIFVKKWIGH-RCZVLFRGSA-N 418.493 4.641 0 40 HJAB Cc1sc2nc([C@@H](C)OC(=O)c3ccc(F)c(C(F)(F)F)c3)[nH]c(=O)c2c1C 84064848 BUGIQNDPDNTYEW-MRVPVSSYSA-N 414.380 4.677 0 40 HJAB O=C(c1ccco1)N1N=C(c2cccc(Cl)c2)C[C@H]1c1ccc2nccnc2c1 89774589 IRXFRIZERKYGCQ-FQEVSTJZSA-N 402.841 4.868 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 98072806 RAJDXNMUECLCAZ-UHFFFAOYSA-N 408.239 4.886 0 40 HJAB O=C(COc1cccc(C(F)(F)F)c1)N1CCS[C@@H](c2cccs2)CC1 219526259 KNXUVCUKCVWVQC-MRXNPFEDSA-N 401.475 4.853 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1nccs1 222908322 VTSFDJZNYBVDGW-MOPGFXCFSA-N 411.600 4.574 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl 223132409 MCTOQXBJFMXKES-IAGOWNOFSA-N 418.940 4.744 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 223976060 UYLKIZNKWWQXOX-DEOSSOPVSA-N 424.585 4.578 0 40 HJAB S=C(NCC1(c2ccccc2)CCOCC1)Nc1ccc(Oc2ccccc2)nc1 224014150 NAULTYLYHJEPLP-UHFFFAOYSA-N 419.550 4.909 0 40 HJAB CCCc1ccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 224537491 XSMDPQHVIRAOSQ-UHFFFAOYSA-N 414.977 4.700 0 40 HJAB COc1cc2c(cc1S(=O)(=O)NCCCc1cccc3ccccc13)CCCC2 224776493 OQOKEVJOLRNKAU-UHFFFAOYSA-N 409.551 4.638 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)C)cc1 225534521 GPJGEJMCRODUAK-INIZCTEOSA-N 421.368 4.786 0 40 HJAB Nc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc(C(F)(F)F)c3c(c12)CCCC3 257173490 OVABDFUXAIXZSD-UHFFFAOYSA-N 420.412 4.736 0 40 HJAB CCn1cc(CN2CCO[C@H](c3cc(Cc4ccccc4Cl)cc(C)n3)C2)c(C)n1 257268230 MKTPYVZSPYEMRB-DEOSSOPVSA-N 424.976 4.733 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cc(Cl)ccc2Cl)cc1C 408663928 PCUSLSKJOIXPBA-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CN(C)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 408960062 IWCSZVACFTWCMM-STZFKDTASA-N 421.497 4.919 0 40 HJAB CCc1ccc(NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1 409027055 UPELYWCDQHSMPX-UHFFFAOYSA-N 422.550 4.645 0 40 HJAB O=C(O)COc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1Cl 539574359 ZWCUCZONRBBDMM-UHFFFAOYSA-N 411.841 4.635 0 40 HJAB CC(C)(C)NC(=O)C(C)(C)N(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1 575443654 GRAXZNVNIHDCNM-UHFFFAOYSA-N 405.542 4.546 0 40 HJAB COc1ccccc1OCc1cc([C@H]2CCN(Cc3cccc(OC(C)C)c3)C2)n[nH]1 607854666 IJWCHRWXVLOVFM-FQEVSTJZSA-N 421.541 4.774 0 40 HJAB O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)c1cccc(-c2nc[nH]n2)c1 1137320393 ULWSPPFTHUQIKW-UHFFFAOYSA-N 406.848 4.861 0 40 HJAB COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)Nc3ccccc3)cc2c1 1327331 DJVKJTLBFONEAJ-UHFFFAOYSA-N 419.506 4.833 0 40 HJAB CCCn1nc(NC(=O)c2ccccc2OCC)c2cc3cc(OC)ccc3nc21 2194076 DFKNPZFWMFBOQT-UHFFFAOYSA-N 404.470 4.654 0 40 HJAB CCCCn1nc(NC(=O)Cc2ccc(OC)cc2)c2cc3cccc(C)c3nc21 2406069 PUXUUBQTBJBTDP-UHFFFAOYSA-N 402.498 4.883 0 40 HJAB S=C(NCCc1ccccc1)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 2782103 YGJCVWMWSLMCGV-UHFFFAOYSA-N 405.354 4.767 0 40 HJAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC4CCCCC4)c3N2)cc1 3012825 INFKBITWMJUEPP-ROUUACIJSA-N 406.452 4.914 0 40 HJAB CN(Cc1ccccc1)C(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 3248164 VZHOWRQGOXADAK-UHFFFAOYSA-N 416.502 4.779 0 40 HJAB CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 3864275 IDLBJAWSPQZDTF-HOTGVXAUSA-N 415.511 4.810 0 40 HJAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CSC3)cc1OCC 4087612 ZOQNCPOTFGQXPY-UHFFFAOYSA-N 423.538 4.977 0 40 HJAB CC(C)Cn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccccc1F 4469195 DPAFCYHTVDQVNV-YJBOKZPZSA-N 404.555 4.527 0 40 HJAB CC(=O)N1c2ccc(Br)cc2[C@H](N(C(C)=O)c2ccccc2)C[C@H]1C 4599586 SZFKGQPECYJXGT-ZUOKHONESA-N 401.304 4.688 0 40 HJAB C[C@H](c1ccccc1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 5723169 ZQWJZRLWGALBIQ-MWTRTKDXSA-N 401.462 4.782 0 40 HJAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 5926566 PFUVSRLNCCIWJN-WOJGMQOQSA-N 403.887 4.984 0 40 HJAB CSc1nc2ccc(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)cc2s1 6508663 PDHWHXYOSXNGOR-SECBINFHSA-N 401.538 4.703 0 40 HJAB CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 6596073 GMTAVZRWGGDTOB-QFIPXVFZSA-N 415.445 4.839 0 40 HJAB O=C(Nc1ccccc1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 7073319 GMUMKMRWCSIXMA-VQHVLOKHSA-N 403.309 4.884 0 40 HJAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2c(c1)OCO2 7597880 QFXIMSFBXAJXMR-UHFFFAOYSA-N 413.433 4.529 0 40 HJAB C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1)c1ccc(F)cc1 7763701 CZPUARBYHCSNNY-QWHCGFSZSA-N 416.547 4.839 0 40 HJAB CC(=O)Nc1ccc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 8330617 YLKVEIZJASWOSL-UHFFFAOYSA-N 412.511 4.807 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)CCN2C(=O)CSc3ccccc32)cc1 8394267 SRJOVFOXXIQGQA-FQEVSTJZSA-N 424.566 4.668 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC=C(C)C[C@H]2C1=O 8473231 NRYDBUUBOSIRNT-TZIWHRDSSA-N 416.521 4.909 0 40 HJAB CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(C)cc1 9002248 PQWBHPCEFCIRIY-UHFFFAOYSA-N 401.509 4.701 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 9038398 QANNUBMZJYLMDX-UHFFFAOYSA-N 420.896 4.799 0 40 HJAB O=C(Nc1ccnn1Cc1ccccn1)c1cccnc1Sc1ccccc1Cl 9127172 ZQZROGALAOLLMY-UHFFFAOYSA-N 421.913 4.778 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)[C@H]1CCCN1C(=O)c1cccs1 9254281 ZXRDIVZZPRWDCA-GOSISDBHSA-N 423.563 4.604 0 40 HJAB Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc(-c2ccccc2)o1 9305402 SWNPMIPWVWXCLB-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB COc1cccc(NC(=O)COc2ccc(C(=O)N[C@@H](C)c3ccccc3C)cc2)c1 9512468 PRLYRUCTAYCVHK-SFHVURJKSA-N 418.493 4.512 0 40 HJAB C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)Nc1ccc2ccccc2c1 9995919 HPZVGFNWKLIEIG-ZDUSSCGKSA-N 423.929 4.585 0 40 HJAB COc1ccc(C(=O)N2c3ncnn3[C@H](c3ccc(C)cc3)C[C@H]2c2ccccc2)cc1 10060305 ZIFDXUHKYVVKFM-ZEQRLZLVSA-N 424.504 4.976 0 40 HJAB COc1cc(OC)c(C2=CCN(C(=O)[C@@H](C)Sc3ccccc3)CC2)c(OC)c1 11918395 UENPCEKYUIVSBM-MRXNPFEDSA-N 413.539 4.509 0 40 HJAB CCN1CCN(c2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc2)CC1 11947697 HDCDFXVVQLORAT-UHFFFAOYSA-N 413.565 4.989 0 40 HJAB COC(=O)c1cccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)c1 12733267 OPKJQYGRZRUZPT-UHFFFAOYSA-N 411.461 4.637 0 40 HJAB CCc1ccc(NC(=O)CSC2=N[C@H](C(F)(F)F)C[C@@H](c3ccccc3)N2)cc1 12848163 PQUAZNYYMOYQGO-ROUUACIJSA-N 421.488 4.942 0 40 HJAB COc1ccc(OCCC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 12913994 BMFYZIVSPXZKQX-UHFFFAOYSA-N 408.479 4.650 0 40 HJAB Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3ccc(F)c(F)c3)s2)cc1 13014799 CGLUPQLRTSPJPQ-ZSOIEALJSA-N 405.857 4.792 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 14232881 LTGLKYFUVRAZDK-JOCHJYFZSA-N 406.482 4.546 0 40 HJAB CCC1=Nc2ccccc2N=C(NC(=O)CSc2ncccn2)[C@@H]1c1ccccc1 14608067 VVBOMLUGYBYHSP-OAQYLSRUSA-N 415.522 4.695 0 40 HJAB CCc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ccc(C)cc2)cc1 15824788 QZLAVTGKESPDMJ-UHFFFAOYSA-N 422.550 4.659 0 40 HJAB C[C@H](NC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)c1ccccc1 15880682 MPTQFIJXPVPJEV-ZDUSSCGKSA-N 414.918 4.860 0 40 HJAB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3c(c2)OCO3)c1 16018687 ZLWIHVLDHMUANN-UHFFFAOYSA-N 413.433 4.529 0 40 HJAB COc1c(Br)cc(Br)cc1CNCCc1ccccc1F 16194490 PUNFGGGLXQPWSP-UHFFFAOYSA-N 417.116 4.692 0 40 HJAB CC(=O)Nc1ccc(NC(=O)Cc2csc(Nc3cccc(Cl)c3)n2)cc1 16850368 LJKUMEVPSKPVJQ-UHFFFAOYSA-N 400.891 4.680 0 40 HJAB S=C(NC[C@H]1CCC[C@@H](CNC(=S)Nc2ccccc2)C1)Nc1ccccc1 18146087 LGRUFGOYKVRLQQ-HDICACEKSA-N 412.628 4.766 0 40 HJAB CCCOc1ccc(/C=C2\N=C(c3ccc(Br)o3)OC2=O)cc1OCC 19117765 SUIBOUFPYNCUMD-RAXLEYEMSA-N 420.259 4.574 0 40 HJAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCCN1Cc1ccc(F)c(F)c1 19239787 IGOBVXQWDYTMOJ-JOCHJYFZSA-N 423.511 4.918 0 40 HJAB CC1=C(C(=O)OC(C)(C)C)C(c2cccc(F)c2)C(C(=O)OC(C)(C)C)=C(C)N1 19594039 BATAEQIQTYAMSW-UHFFFAOYSA-N 403.494 4.744 0 40 HJAB Cc1cc(OC[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)ccc1C(C)C 19901738 YDFMJETZFJIHFH-OAQYLSRUSA-N 416.993 4.642 0 40 HJAB Cc1sc2ncnc(N3CCC(C(=O)Nc4cccc5ncccc45)CC3)c2c1C 22423776 XMDGEDXFEOLEFQ-UHFFFAOYSA-N 417.538 4.711 0 40 HJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(I)cc1 22532058 MHKNQQVAKINHSA-MRXNPFEDSA-N 409.267 4.704 0 40 HJAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCc3coc(-c4cccs4)n3)c12 23195247 OBGQTTHNPRFZEJ-UHFFFAOYSA-N 416.462 4.845 0 40 HJAB O=C(NCCc1ccccc1F)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 25928337 CHACPRZVKSQEFR-UHFFFAOYSA-N 411.786 4.656 0 40 HJAB COc1ccccc1CN(Cc1cccs1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 30476521 LLWIAFBFOAUMRF-IBGZPJMESA-N 424.497 4.551 0 40 HJAB CC(C)(C)c1ccc(S(=O)(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1 32610024 JJLKWZFLAMCGAS-UHFFFAOYSA-N 421.925 4.822 0 40 HJAB CCCn1nnc(NCc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)n1 32617026 WEILWXRXRCGVBO-UHFFFAOYSA-N 422.316 4.590 0 40 HJAB Cc1[nH]c2ccc(C(=O)N[C@@H]3CC4(CCN(C)CC4)Oc4ccccc43)cc2c1C 32676302 VBFIQBHMPRZFCW-JOCHJYFZSA-N 403.526 4.503 0 40 HJAB CN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@@H]1CCCc2ccccc21 32718836 PDFDLFUYRKIJQZ-QGZVFWFLSA-N 411.552 4.535 0 40 HJAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1n[nH]c2ccccc12 32904857 FUKXHMSYDFVTMW-UHFFFAOYSA-N 401.904 4.612 0 40 HJAB COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccccc3C)n2)c1 33327284 MYFHQFQKPADESS-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(C)Cc1ccc(Cl)cc1Cl 36726640 LNVOLZDTCFKLRD-HXUWFJFHSA-N 403.309 4.916 0 40 HJAB CCOc1ccccc1CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 38772026 OOFICTTZYMLNEI-UHFFFAOYSA-N 411.523 4.789 0 40 HJAB CCOc1cccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 44911277 LFXFPGGKYZJFFH-UHFFFAOYSA-N 417.347 4.699 0 40 HJAB C[C@@]1(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2F)CC1(Cl)Cl 58367903 WMLCTOIZUWIOSN-XLIONFOSSA-N 421.299 4.696 0 40 HJAB CC(C)n1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(Cl)cc3)c2c1=O 65113621 SEWGPJZCPWBSGU-UHFFFAOYSA-N 420.900 4.738 0 40 HJAB CCN(C(=O)c1oc2c(Cl)cccc2c1C)c1ccccc1S(=O)(=O)CC 72313701 OCHWKGOTAKJGFA-UHFFFAOYSA-N 405.903 4.855 0 40 HJAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 95883181 FVSCORJZWBTFIU-OAHLLOKOSA-N 407.539 4.865 0 40 HJAB O=C(NC[C@H]1CCCN2CCCC[C@H]12)c1cc2cc(Br)ccc2s1 96345477 DYWSESICKUPINO-CZUORRHYSA-N 407.377 4.658 0 40 HJAB CCOCCn1/c(=N/C(=O)C2CCCCC2)sc2cc(Br)ccc21 100873405 IXNMTEYLJGJNQZ-ZZEZOPTASA-N 411.365 4.509 0 40 HJAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)o2)c1 216060299 SBPHDNCTPIISGR-UHFFFAOYSA-N 417.918 4.958 0 40 HJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1cccc2ccccc12 219051376 PAIXRQQEQGBBMG-HNNXBMFYSA-N 407.495 4.767 0 40 HJAB Cc1cccc(N([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 220118639 HETVWBFWAYWMJM-GOSISDBHSA-N 424.522 4.581 0 40 HJAB Cc1cc(C(=O)NC(C)(C)CC(C)(C)C)ccc1NS(=O)(=O)c1ccccc1 224088611 NLPXJCNRTOETII-UHFFFAOYSA-N 402.560 4.740 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 224139215 DTVSXBQNAKQBTH-XMMPIXPASA-N 406.570 4.794 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224288620 LTEBIIATMXPXNC-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCC3CCCCC3)c2)cc1 224401903 ZVRRKMRBZWSNFI-UHFFFAOYSA-N 420.962 4.759 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225011101 UBXFJJVYPRKTFA-HZPDHXFCSA-N 421.368 4.868 0 40 HJAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)cc1C 225148109 RTGDICYMJSWZEB-NHCUHLMSSA-N 422.579 4.977 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 225655891 VHYIGVFCTJJENO-IERDGZPVSA-N 418.940 4.744 0 40 HJAB CCc1cccc(CC)c1NC(=O)Cn1ccc(=O)c2ccc(Br)cc21 225742232 CZEFGMMCZFTUHU-UHFFFAOYSA-N 413.315 4.528 0 40 HJAB CC(C)c1ccc(NC(=O)CN2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1 257222291 DSSITBDOODWRMY-AZGAKELHSA-N 422.569 4.589 0 40 HJAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3ccccn3)CC2)n1 257228918 FVWOABZOMDAMQN-KESTWPANSA-N 415.541 4.761 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C(=O)NC1CCCCC1 408559378 WSOAEBWWYKZYTR-UHFFFAOYSA-N 424.925 4.651 0 40 HJAB COc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3C)n2)c1 408697423 HHIYWSKJWXMQLG-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O 409165159 UANXKASCCZNYBS-KFURHSOJSA-N 406.507 4.925 0 40 HJAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OC(C)C)cc3)C2=O)cc1 409183970 VJDSNSMSOBVUJK-MOSHPQCFSA-N 424.522 4.711 0 40 HJAB COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)cn1 549186910 ZCFPPHLIJNFCBX-QGZVFWFLSA-N 421.501 4.634 0 40 HJAB COc1ccc(-n2ncc3c(N)c4c(nc32)C[C@H](c2ccc(Cl)cc2)CC4=O)cc1 618257155 SKYICFURWIDUFF-AWEZNQCLSA-N 418.884 4.577 0 40 HJAB Cc1c(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@](C)(O)C2)oc2ccc(F)cc12 1848357402 YYHCMVSXKHVUGU-UGKGYDQZSA-N 417.864 4.578 0 40 HJAB O=C(CSc1nnc(-c2cccc(O)c2)o1)N(c1ccccc1)c1ccccc1 976136 JRUSYLLFWSGPTF-UHFFFAOYSA-N 403.463 4.899 0 40 HJAB Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)c3ccc(C)s3)c3ccccc32)c1 1320435 IDTDUPFIHKXHIP-DEOSSOPVSA-N 405.519 4.681 0 40 HJAB CCCCC(=O)NC(=S)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1 2052103 WSIAYQDEPCBMNH-UHFFFAOYSA-N 403.511 4.577 0 40 HJAB COc1cc(OC)c([C@@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)c(OC)c1 2146017 XMQWMTWBFQYAMD-DQEYMECFSA-N 420.461 4.614 0 40 HJAB CCCCOC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc12 2375267 VOUYRQJUVRXYDX-UHFFFAOYSA-N 412.852 4.905 0 40 HJAB CCCCc1nc2sc3c(NC[C@H](C)O)nc(SC)nc3c2c2c1CCC2 2441141 QUQFUOGIUQKXQI-NSHDSACASA-N 402.589 4.585 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2Cc2ccco2)c1 2447722 JIGFSLKWYRBUKD-UHFFFAOYSA-N 422.485 4.765 0 40 HJAB COC(=O)c1cc(Br)ccc1NC(=O)C1(c2ccccc2)CCCC1 2512700 NEFNSPVHIWOOEH-UHFFFAOYSA-N 402.288 4.686 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)c(C)n1C 2619835 ZRAQNANUTMFJTP-UHFFFAOYSA-N 422.579 4.985 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1cc(Cl)c(=O)n(Cc2cccc(Cl)c2)c1 3041786 BHKADTLDFDQQEV-UHFFFAOYSA-N 409.219 4.734 0 40 HJAB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 3363097 LDBSQQHOZIUEEI-NSHDSACASA-N 423.325 4.702 0 40 HJAB COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@]32CCOC(C)(C)C2)c1 4029773 UFIMLKDNTIHZMN-RDPSFJRHSA-N 408.498 4.533 0 40 HJAB biogenic C[C@@H](Sc1nnc(NC(=O)c2cc3ccccc3oc2=O)s1)c1ccccc1 4088060 YXCNTKILRPUHBF-GFCCVEGCSA-N 409.492 4.750 0 40 HJAB Cc1ccc(C(=O)n2nc(NCc3cccs3)nc2NCc2cccs2)cc1 4723827 NGIAJJBOPOYBIV-UHFFFAOYSA-N 409.540 4.622 0 40 HJAB Cc1cccc(Nc2nnc(SCC(=O)NCc3ccc(Cl)cc3)s2)c1 4838456 BIEARLWOWHIICG-UHFFFAOYSA-N 404.948 4.652 0 40 HJAB Cc1nc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2n1-c1ccccc1 4902733 JHJMSLUJTANESB-UHFFFAOYSA-N 424.548 4.728 0 40 HJAB Cc1ccc(Cn2cc(C(=O)c3ccc4c(c3)OCO4)c(=O)c3cc(C)ccc32)cc1 4937035 SBMQNKDKZPJNJY-UHFFFAOYSA-N 411.457 4.626 0 40 HJAB aggregator CCc1nc2c3c(-c4ccc(OC)cc4)c(-c4ccc(OC)cc4)oc3ncn2n1 5347476 YMSFNAUIDPFKJY-UHFFFAOYSA-N 400.438 4.784 0 40 HJAB CC(C)(C)c1ccc(OCc2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)cc1 6075459 CUUNCPOZXOHVHW-SFHVURJKSA-N 422.510 4.575 0 40 HJAB COc1cccc(C2=N/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C(=O)O2)c1 6259048 GOCBPDYUZJIXND-FYJGNVAPSA-N 415.445 4.627 0 40 HJAB COc1ccc(NC(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)cc1 6271547 WSESJZMKUSCFFT-UHFFFAOYSA-N 410.857 4.618 0 40 HJAB Cc1c(Cl)cccc1NC(=O)[C@H](C)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 6767259 WFKPPWVLPSQHOA-INIZCTEOSA-N 421.928 4.951 0 40 HJAB COc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)cc1 8297901 MSPXIXOUYWVJDB-UHFFFAOYSA-N 408.527 4.829 0 40 HJAB CC(C)CNC(=O)CSc1nnc(-c2cc(-c3cccs3)nc3ccccc23)o1 9585355 LBQBDYRGLYXSPX-UHFFFAOYSA-N 424.551 4.878 0 40 HJAB CC(=O)NCc1ccc(C(=O)CSc2nc3cc(Cl)cc(Cl)c3[nH]2)s1 9635263 QYFPDDGHRPYRFD-UHFFFAOYSA-N 414.339 4.542 0 40 HJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@H]3CCOc4ccccc43)cc12 9643027 CZLCGAMZFMJAPO-IBGZPJMESA-N 421.497 4.847 0 40 HJAB CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(=O)Nc1ccccc1Cl 9767574 AYTNPGOIPXOKKO-UHFFFAOYSA-N 423.900 4.641 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCc4ccccc43)ccc2C)c(C)c1 10112429 OFUWSCVHKIVIKH-UHFFFAOYSA-N 420.534 4.616 0 40 HJAB COc1ccc(OC)c2sc(N(Cc3ccncc3)C(=O)c3cccc(F)c3)nc12 10254335 JOLLVXXYLMVCIT-UHFFFAOYSA-N 423.469 4.695 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)Nc1nonc1-c1ccc(OC(C)C)cc1 12111451 NHKLHVKTZTWAKA-UHFFFAOYSA-N 401.850 4.503 0 40 HJAB CC(=O)c1ccccc1NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC(C)C 12323264 DGYCZVPMZUTAJT-UHFFFAOYSA-N 407.466 4.663 0 40 HJAB biogenic Cc1nc(COc2cccc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)c2)cs1 12559403 GJFQTHIOOYDHNP-INIZCTEOSA-N 418.522 4.707 0 40 HJAB C[C@@H]1CN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C[C@@H](C)O1 12561499 MUDFBKCKCRBPPG-WHSLLNHNSA-N 424.368 4.570 0 40 HJAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc(Oc2ccccc2Cl)cc1 12797209 XLAUFVORFLDULU-UHFFFAOYSA-N 411.870 4.542 0 40 HJAB COc1cc(C(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)cc(Cl)c1OC 12942267 CNQUJIXVSRHLOY-CHWSQXEVSA-N 423.966 4.544 0 40 HJAB COc1cc(OC)c(NC(=O)c2cccc(OCc3csc(C)n3)c2)cc1Cl 12995709 DSVSCIRJQALFGF-UHFFFAOYSA-N 418.902 4.953 0 40 HJAB CCCc1cc(-c2nc(C)c(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)ccn1 13731477 BQDQISQNOLXJRF-UHFFFAOYSA-N 424.545 4.568 0 40 HJAB CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2ON1c1ccccc1 13752260 NJBXYNKCLWDUAR-HWHRFOGPSA-N 406.526 4.890 0 40 HJAB O=C(CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)Nc1ccc(F)cc1 13955651 DVIVITPXSBQELK-XMMPIXPASA-N 413.452 4.881 0 40 HJAB CN(Cc1ccc(Br)cc1)Cn1nc(-c2ccccc2F)n(C)c1=S 14229580 NBRXSWKPUYKYNI-UHFFFAOYSA-N 421.339 4.609 0 40 HJAB COc1ccc(CCC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 16953678 LTTLUFPIZDNWQY-UHFFFAOYSA-N 414.505 4.860 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)c1 17091080 UBUHSMNXTNLERM-UHFFFAOYSA-N 417.490 4.944 0 40 HJAB CC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 17987466 URZCERNAARKDSN-SFTDATJTSA-N 403.478 4.659 0 40 HJAB Cc1nccn1CCCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 19288129 OVKAUZDUMPVPEQ-UHFFFAOYSA-N 408.449 4.677 0 40 HJAB CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)[C@@H]4CC45CCC5)CC3)noc2n1 19522034 YWOGEQHATIGNPJ-HNNXBMFYSA-N 407.436 4.700 0 40 HJAB Cc1cccn2c(=O)c(C(=O)Nc3cccc(-c4nc5ccccc5s4)c3)cnc12 19714692 CSNMGGHZIZJONO-UHFFFAOYSA-N 412.474 4.532 0 40 HJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 20106111 VTRCKGRNLAPXJD-GOSISDBHSA-N 420.475 4.747 0 40 HJAB O=C(c1cccnc1SCCC(F)=C(F)F)N1CCN(Cc2ccccc2)CC1 20405341 FPMCPISYKHYSPS-UHFFFAOYSA-N 421.488 4.599 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)c1 21579100 JBLVJLVTZRWDSH-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB COc1ccc2nc(NC(=O)COc3ccccc3C3SCCS3)sc2c1 24761243 MOWGSEKOOIZTKT-UHFFFAOYSA-N 418.565 4.801 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@](C)(C3=O)C4(C)C)cc2)cc1 27531099 BYFBCOKCUCFFQU-NBGIEHNGSA-N 420.509 4.653 0 40 HJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ncc(I)cc2C)cc1 32125439 DICISJNLXQZCNZ-GFCCVEGCSA-N 424.282 4.526 0 40 HJAB Cc1cc2occ(CC(=O)NCc3ccccc3Cn3ccnc3)c2cc1C(C)C 32860007 UCXSUQCDSZNSHF-UHFFFAOYSA-N 401.510 4.968 0 40 HJAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccc(-c2ccccc2)o1 32981991 ZQXVTNVGBJNHLE-UHFFFAOYSA-N 415.493 4.553 0 40 HJAB O=C(O[C@H](C(=O)NCc1cccs1)c1ccc2ncccc2c1)c1cccs1 35292252 XNNSIXGLGGZDAI-IBGZPJMESA-N 408.504 4.572 0 40 HJAB O=C(Cc1csc(-n2cccc2)n1)Nc1cccc(-c2nc3ccccc3o2)c1 35598488 KMEBKSQRZSYXGW-UHFFFAOYSA-N 400.463 4.923 0 40 HJAB COC(=O)CN[C@H](c1ccccc1)c1cc(C)ccc1NC(=O)c1cccc(Cl)c1 36379704 PLXOOIZVUGWKPU-HSZRJFAPSA-N 422.912 4.753 0 40 HJAB Cc1ccc2[nH]cc(CCn3ccc4c(cnc5c(-c6ccccc6)cnn54)c3=O)c2c1 40387740 GWDXUNTUVSFOLS-UHFFFAOYSA-N 419.488 4.744 0 40 HJAB Cc1cc(OCC(=O)NCc2ccc(Cl)cc2Cl)ccc1Br 44836817 YEFWSXRQJIEYMY-UHFFFAOYSA-N 403.103 4.760 0 40 HJAB CC(C)OC(=O)C[C@@H](NC(=O)CCC(=O)c1cccs1)c1ccccc1Cl 49622777 JIIPNMJJWSJEDV-MRXNPFEDSA-N 407.919 4.564 0 40 HJAB COc1ccc(-n2ncc3c2CCCN(Cc2ccc(C(F)(F)F)cc2)C3)cc1 57743547 DMGNQYSRIYZVAS-UHFFFAOYSA-N 401.432 4.848 0 40 HJAB COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cc(OC)c(OC)c(OC)c1)CC2 60383004 DNCGVWXMTZCZNU-PTNGSMBKSA-N 405.450 4.534 0 40 HJAB Cc1ccc(S(=O)(=O)C2(C(=O)N(C)Cc3cccc4ccccc34)CCC2)cc1 69323557 IEJGVFWGNHZWTO-UHFFFAOYSA-N 407.535 4.503 0 40 HJAB CC(C)Oc1ccc(CN2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 72398592 DNRLMGSKDNJJNY-URXFXBBRSA-N 423.601 4.984 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)Cc3ccc(F)cc3)CC2)on1 100743622 HCEVRNOBWMNEMT-KDURUIRLSA-N 422.504 4.520 0 40 HJAB CCc1ccc(N(CCCC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 113962057 XWVGPPHCRBINJV-UHFFFAOYSA-N 402.560 4.557 0 40 HJAB Cc1cccc(CN(C(=O)CCSc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222714897 MZIWBBGNHJGIQV-IBGZPJMESA-N 412.599 4.809 0 40 HJAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 222762744 ZBXSXOSEGJMBDI-HSZRJFAPSA-N 413.539 4.923 0 40 HJAB COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CC(C)C 222910945 QSFCQJAXFQPDKT-YADHBBJMSA-N 406.555 4.509 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 223141001 FPBAYOJMBGWDCI-OAQYLSRUSA-N 424.585 4.831 0 40 HJAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 224621408 JDFPCLISZFWCKM-PKTZIBPZSA-N 412.518 4.755 0 40 HJAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)s2)cc1 225463649 HYCUYZGJZFWACR-GFCCVEGCSA-N 403.891 4.582 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 225666689 XMHACKUXHFLTBX-IERDGZPVSA-N 418.940 4.744 0 40 HJAB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c2ccccc12 225781744 YTRMGELXSQQSRE-UHFFFAOYSA-N 405.494 4.934 0 40 HJAB OCc1ccccc1CN(Cc1ccccc1)Cc1cnn(-c2ccc(F)cc2)c1 257247991 JBOGUFUDERFBNT-UHFFFAOYSA-N 401.485 4.706 0 40 HJAB CCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1-c1ccc(OC)cc1 409205147 MRUBITDKFTVJST-BZZOAKBMSA-N 410.583 4.968 0 40 HJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccc(OC(F)(F)F)cc1 585147838 BNJVMFJVNZZZQJ-CYBMUJFWSA-N 413.442 4.839 0 40 HJAB Nc1c2c(nc3c1cnn3-c1cccc(F)c1)C[C@H](c1ccc(Cl)cc1)CC2=O 618256954 OYSLWPZHFCJZAX-ZDUSSCGKSA-N 406.848 4.708 0 40 HJAB CCCc1cnc(Nc2cccc([C@H]3CN(C(=O)OC(C)(C)C)CCO3)n2)s1 2037836284 XDKVLHJNKCKRKV-MRXNPFEDSA-N 404.536 4.543 0 40 HJAB COc1ccccc1-n1c(-c2ccccc2Br)nc2ccccc2c1=O 1307577 RHXOTOUOLISTAN-UHFFFAOYSA-N 407.267 4.824 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccccc2)sc2c1CC[C@H](C)C2 2080074 XPVQTZGUOLVFTK-YOEHRIQHSA-N 401.528 4.846 0 40 HJAB O=C(Nc1ccc(Cl)cn1)NC(Oc1ccccc1)(C(F)(F)F)C(F)(F)F 2268440 VERHSUSVDPLCKH-UHFFFAOYSA-N 413.705 4.756 0 40 HJAB Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)o2)c1 3406979 KABXKAZHXHKGRX-UHFFFAOYSA-N 421.881 4.789 0 40 HJAB COc1ccc(C(=O)N(CCCN(C)C)c2nc(-c3ccc(F)cc3)cs2)cc1 4215045 DTODTOOILQSSBA-UHFFFAOYSA-N 413.518 4.556 0 40 HJAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)cc1 4662656 BTRXSUBINBEVPR-RUZDIDTESA-N 419.908 4.698 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 5212068 ZFMDFIWEWSAFSI-MHECFPHRSA-N 412.445 4.941 0 40 HJAB Cc1ccccc1OCCCCn1c(CCNC(=O)C(C)(C)C)nc2ccccc21 5235883 INBGJRIMOSVPCF-UHFFFAOYSA-N 407.558 4.909 0 40 HJAB CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cccc(C)c1C)S2 6812230 ZZNTWNLYBQRVBK-RTWAWAEBSA-N 421.570 4.554 0 40 HJAB N=c1sccn1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 6890238 CTYGUUKYAJRQNQ-QFIPXVFZSA-N 412.518 4.560 0 40 HJAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc(-c2ccccc2)cs1 7288492 FPIHBCPLXJIUSD-UHFFFAOYSA-N 412.536 4.680 0 40 HJAB CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 7649279 ICWLSEZDIRWAFP-UHFFFAOYSA-N 402.494 4.700 0 40 HJAB COc1cccc(CSc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)c1 7802623 OLDIUIKRQXMXRI-UHFFFAOYSA-N 404.491 4.695 0 40 HJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(Cl)cc2c1OCOC2 8152286 KIDBOTJZCSESFB-UHFFFAOYSA-N 415.704 4.584 0 40 HJAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1 8237135 FBIGFAIYHAYGQN-UHFFFAOYSA-N 416.525 4.890 0 40 HJAB Cc1cc(-c2csc(NC(=O)c3ccc(CN4CCCC4=O)cc3)n2)c(C)s1 8707983 JUGLNARONIMRHQ-UHFFFAOYSA-N 411.552 4.863 0 40 HJAB O=C([C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)c2ccccc2O1)N1CCCCC1 8899637 INSXUERQXNJLGR-OAQYLSRUSA-N 424.884 4.507 0 40 HJAB CSc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1N 9220876 QXHAXNARIBKEDK-HNNXBMFYSA-N 422.506 4.967 0 40 HJAB COc1cc(C(=O)Nc2ccccc2N2CCCC2=O)ccc1OCc1ccccc1 9314948 MFVHPCODVSIYRQ-UHFFFAOYSA-N 416.477 4.653 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1F 9496791 KHTVJCMLGAZXAS-UHFFFAOYSA-N 422.485 4.765 0 40 HJAB CN(C)C(=O)[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1 9742834 JLJHYVUTJAQGAM-LJQANCHMSA-N 420.563 4.917 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1sc2nc(-c3ccccc3)ccc2c1N 9970605 PTLFSSMHIROZKR-UHFFFAOYSA-N 403.463 4.584 0 40 HJAB COc1ccc2c(c1)NC1(CCN(CC3=Cc4ccccc4OC3)CC1)c1cccn1-2 12117295 XNPBFPLEYSPOCP-UHFFFAOYSA-N 413.521 4.679 0 40 HJAB Cc1cc(C(F)F)n2ncc(C(=O)N3[C@H]4CC[C@@H]3CC(c3ccc(F)cc3)C4)c2n1 12181047 PADIMFSDVDRAMR-ZXFUBFMLSA-N 414.431 4.665 0 40 HJAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 12293615 PDVZPDYYEXQMRW-DNQXCXABSA-N 403.522 4.532 0 40 HJAB Cc1ccc(N2C(=O)N(CN3CCC[C@@H]3c3nc4ccccc4s3)C(=O)[C@@H]2C)cc1 12799146 OVKNLOHSZNDDEI-QFBILLFUSA-N 420.538 4.556 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 13551761 BNSWUAICNHZPIT-YOEHRIQHSA-N 412.820 4.567 0 40 HJAB O=C1C[C@@H](c2ccccc2)Cc2nc3nc(SCc4cccc(Cl)c4)nn3cc21 13634234 LFXILRVSLRNJSY-INIZCTEOSA-N 420.925 4.983 0 40 HJAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@H]2COc3ccccc3O2)cc1 14866809 YTFAPANCYSAVCI-OAQYLSRUSA-N 411.841 4.919 0 40 HJAB COc1ccc([C@@H]2C[C@@]3(CC(C)(C)N=C(SC)N3)Oc3cc(O)cc(C)c32)cc1 15974240 AUXILRFLUXGQNZ-MBSDFSHPSA-N 412.555 4.811 0 40 HJAB CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5)oc4C)ccn3n2)cc1 16840094 KOCHNVHULRZWFF-UHFFFAOYSA-N 410.477 4.737 0 40 HJAB O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc2c(c1)OCCO2 17091230 CNJAEWLCCHQKBE-UHFFFAOYSA-N 417.701 4.545 0 40 HJAB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1c(F)c(F)c(F)c(F)c1F 17092897 NENSARYAKUPPKO-UHFFFAOYSA-N 422.288 4.507 0 40 HJAB O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1 19370375 RUFPBGWSYMMBBG-ATIYNZHBSA-N 417.528 4.533 0 40 HJAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2C(=O)c2ccccc2)n1 19694425 KUVMBAHLYPKDMK-NRFANRHFSA-N 404.489 4.716 0 40 HJAB Cc1nc([C@@H]2CCN(Cc3cccc(F)c3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19766187 HOUFXFALKASUAZ-QGZVFWFLSA-N 424.907 4.819 0 40 HJAB S=C(c1ccccc1OCc1ccccc1)N1CCN(Cc2ccccc2)CC1 19842624 MSSLADNTQGZPQX-UHFFFAOYSA-N 402.563 4.759 0 40 HJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 20107176 WNNMAYXZRDVQCB-JOCHJYFZSA-N 410.514 4.508 0 40 HJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(I)cc2)c1 20453981 PBAWERKRUJJTCO-AWEZNQCLSA-N 409.267 4.622 0 40 HJAB CC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 20454133 UGGBROYYZSXTRR-NRFANRHFSA-N 408.523 4.677 0 40 HJAB CN(c1ccc(-c2csc(-c3cccc(Br)c3)n2)cc1)S(C)(=O)=O 20673195 VFAHRLMZNCNDJS-UHFFFAOYSA-N 423.357 4.635 0 40 HJAB COc1ccc(-c2noc(-c3cccc(NC(=O)c4cccc(OC)c4)c3)n2)cc1 20900031 AHUJPNSJAJAWTQ-UHFFFAOYSA-N 401.422 4.673 0 40 HJAB CC(C)(C)c1ccc(CS[C@@H]2CCCC[C@H]2OC(=O)CCN2CCOCC2)cc1 22002192 MRDDPWUIISWEEG-FGZHOGPDSA-N 419.631 4.794 0 40 HJAB COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 22502715 XQFOWWYYNPTFOO-UHFFFAOYSA-N 401.894 4.928 0 40 HJAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 23663246 CPNITCXYCUPMDK-PXNSSMCTSA-N 419.550 4.941 0 40 HJAB COc1ccccc1CN(Cc1cccs1)C(=O)COc1ccc(F)cc1F 24682818 AOKWPYPSKWUWNM-UHFFFAOYSA-N 403.450 4.643 0 40 HJAB C[C@H](NC(=O)C1(c2ccc(Br)cc2)CC1)c1ccccc1OC(F)F 25300595 OPOMJVCNDMIGTO-LBPRGKRZSA-N 410.258 4.960 0 40 HJAB CCN(CC)C(=O)[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1 32741632 OGGILTZNWBQONM-HXUWFJFHSA-N 406.555 4.847 0 40 HJAB CCc1cc(C(=O)NCCc2ccccc2)c2c(C3CC3)nn(Cc3ccccc3)c2n1 36621730 CSKAEYFBECXINF-UHFFFAOYSA-N 424.548 4.892 0 40 HJAB Cc1ccn2cc(CNC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3C)nc2c1 40157622 UWHPTEDXFOEQRW-UHFFFAOYSA-N 421.504 4.734 0 40 HJAB CC(=O)c1c(C)cc(C)c(CSc2nc(O)c3cnn(-c4ccccc4)c3n2)c1C 71844647 QPNZLJUHGCPRPG-UHFFFAOYSA-N 418.522 4.941 0 40 HJAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(C[C@H]4CC=CCC4)CC3)C1)c1cccn1-2 72327227 JVEMOIKCJXZBLI-FNZWTVRRSA-N 419.569 4.718 0 40 HJAB COc1ccccc1Cc1cccc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 72349613 PQIYOBSSPUTOMR-UHFFFAOYSA-N 418.512 4.769 0 40 HJAB O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 72359178 HBDBUIYIZNMLGN-SFHVURJKSA-N 407.464 4.761 0 40 HJAB CCCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(OC)c(O)c2)cc1OCC 84756750 UOZMEWQFHRFPBP-UHFFFAOYSA-N 407.894 4.514 0 40 HJAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(Br)cc1F 97992387 SGKFAICGAZKLMV-KPKJPENVSA-N 405.292 4.921 0 40 HJAB O=C(COc1ccccc1)Nc1nc(C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cs1 101024347 WXMDGVMKMHDJPE-VKFLQFAXSA-N 402.947 4.990 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 136532706 DXMFSLPCPTXQAY-OYRHEFFESA-N 404.510 4.743 0 40 HJAB CCc1cccc(CC)c1NC(=O)[C@H](CC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220569968 AZXSPEHIIYOHSK-NRFANRHFSA-N 416.587 4.612 0 40 HJAB Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1 222535180 NWSHXWIRJAAKFJ-IBGZPJMESA-N 422.550 4.620 0 40 HJAB CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 222932718 YBJUBXSALIQBKW-DHIUTWEWSA-N 420.582 4.900 0 40 HJAB Cc1ccccc1CSCCNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225362647 SEDQCXJLJMHJJS-UHFFFAOYSA-N 413.612 4.650 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 225544883 WRVBLVDAJPZHPK-ZJSXRUAMSA-N 408.586 4.876 0 40 HJAB C[C@@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccccc2Cl)n1 225938802 KYPPWSOHJBKWEL-GFCCVEGCSA-N 410.374 4.649 0 40 HJAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)C1(c2ccc(Cl)cc2)CCCC1 245180758 ZJOPVXQYHXCLNK-QFIPXVFZSA-N 415.942 4.859 0 40 HJAB CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CC(C)C)CC1 257323129 WIWFSXLYTCLCPZ-UHFFFAOYSA-N 406.570 4.687 0 40 HJAB CC(C)Cn1cc2c(n1)-c1ccccc1OC21CCN(C(=O)CC2CCCC2)CC1 306143329 XZASYPLSPVCUTB-UHFFFAOYSA-N 407.558 4.997 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)Nc1ccccc1Cl 409241139 RMZXKICEJDUEKW-OQLLNIDSSA-N 407.278 4.668 0 40 HJAB O=C(N[C@@H](c1c[nH]c2ccccc12)C(F)(F)F)c1ccc(CN2CCCC2)cc1 553152139 BXTSTUPUDGDUSJ-FQEVSTJZSA-N 401.432 4.797 0 40 HJAB Cc1ccc(Cc2ccccn2)cc1NC(=O)NCCc1c[nH]c2ccc(F)cc12 555042499 USNVSFSSNHBDAE-UHFFFAOYSA-N 402.473 4.965 0 40 HJAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCC(c6nc[nH]n6)CC5)(C4)C2)C3)cc1C 674367327 HDLYRTNFIULHEJ-WSQGFLFRSA-N 418.585 4.666 0 40 HJAB O=C(c1ccoc1)N1CCC(C(=O)N2CC[C@@H](c3ccccc3)c3ccccc32)CC1 1615054915 CKZVZTAPVAFFAN-QFIPXVFZSA-N 414.505 4.701 0 40 HJAB Cc1cn(C(=O)c2ccccc2)c(=S)n1-c1ccc(I)cc1 687881 XUOAUMNFXZPPQO-UHFFFAOYSA-N 420.275 4.610 0 40 HJAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nnc1C1CCCCC1 793615 MIVBOGKGHNGXPN-HNNXBMFYSA-N 400.548 4.668 0 40 HJAB CC(C)(C)NC(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F 865925 CMXCWUCIFUSPMD-WPRPVWTQSA-N 406.861 4.787 0 40 HJAB Cc1ccc(-n2c(SCC(=O)OC3CCCCC3)nnc2-c2cccnc2)cc1 875821 KBUMFPCOMNTFPK-UHFFFAOYSA-N 408.527 4.606 0 40 HJAB CCc1ccc2nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)c(C)cc2c1 932930 CCBCLYIDQLVULA-UHFFFAOYSA-N 424.566 4.574 0 40 HJAB COc1cc(CNc2cccc(Cl)c2C)cc(I)c1OC 982685 XZDHQJOBWZUEKH-UHFFFAOYSA-N 417.674 4.882 0 40 HJAB CCOc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)COC)cc2c1 1367882 RRNHYUKVKPLWHH-UHFFFAOYSA-N 404.919 4.524 0 40 HJAB CCOC(=O)c1ccc(-n2c(-c3ccc(OC)cc3)nc3nc4ccccc4nc32)cc1 2224517 NZFGJFBQWAULER-UHFFFAOYSA-N 424.460 4.821 0 40 HJAB CCOc1ccc([C@@H]2NC(=O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)cc1 2493014 QRRBVSHUWZGZDW-JOCHJYFZSA-N 419.550 4.559 0 40 HJAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N1CCCc2ccccc21 3215724 KUONJQSQCMEUKU-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB CSc1ccccc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 3271756 QPSRURVGMWCIBF-UHFFFAOYSA-N 405.475 4.828 0 40 HJAB CCOC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc(Oc2cccc(C(F)(F)F)c2)c1 4107667 JWGRBTOHSQCPKQ-SFHVURJKSA-N 419.399 4.938 0 40 HJAB CCOC(=O)c1[nH]c(C)c(C(=O)NCCC(c2ccccc2)c2ccccc2)c1C 4162875 IKUOEJVFMZUPLU-UHFFFAOYSA-N 404.510 4.760 0 40 HJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 4777207 CSKOCUXMDFKYKB-UHFFFAOYSA-N 411.461 4.832 0 40 HJAB Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccccc2Cl)cc1 4816456 UXKWTBWGRHTNCO-UHFFFAOYSA-N 403.873 4.603 0 40 HJAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)C12CC3CC(CC(C3)C1)C2 5444426 VCTNFVJYQRNEQU-UHFFFAOYSA-N 407.583 4.856 0 40 HJAB CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2)c2c[nH]c3ccccc23)cc1 5638013 VYHMZAPCIMMMTG-QHCPKHFHSA-N 413.521 4.561 0 40 HJAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c1 6271180 DNZQLYLJIHZWFK-FQEVSTJZSA-N 422.978 4.749 0 40 HJAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(O[C@@H](C)CC)cc2)cc1 6386403 BHGAKBDCZVDWGJ-HNNXBMFYSA-N 413.543 4.729 0 40 HJAB Cn1c(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)nnc1-c1ccccc1 7329756 GGQVOLFMJSGGMZ-UHFFFAOYSA-N 421.570 4.593 0 40 HJAB COc1cc(CNC(=O)Cc2c[nH]c3ccccc23)ccc1OCc1ccccc1 7648907 JFSNULPDGPPOMS-UHFFFAOYSA-N 400.478 4.614 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 7881148 ODRCBEVBSUPZMK-UHFFFAOYSA-N 414.571 4.683 0 40 HJAB Cc1ccc(C)c(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(F)cc2)c1 8476704 SDKXBIXPAQDIED-UHFFFAOYSA-N 400.457 4.620 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1cccs1 8895504 USYRXXLXCFRKNC-OAHLLOKOSA-N 424.551 4.617 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 9234863 UJUQQODABHOKOZ-UHFFFAOYSA-N 422.868 4.696 0 40 HJAB Cc1ccc2c(COC(=O)c3c(C)nn(Cc4ccccc4)c3Cl)cc(=O)oc2c1 9631245 GGVWJIPYGUSXAT-UHFFFAOYSA-N 422.868 4.665 0 40 HJAB Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2ccc(F)cc2)no1 10233018 JKWPPPXBQKOMLY-LJQANCHMSA-N 424.815 4.940 0 40 HJAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(Br)cc1 12062887 TUBBCUGKRLMKFI-SFHVURJKSA-N 412.283 4.819 0 40 HJAB COc1ccc(CCNc2ncc(-c3cc(C)no3)c(-c3ccoc3C)n2)cc1OC 12251484 QPNDAGWOYBUYLD-UHFFFAOYSA-N 420.469 4.680 0 40 HJAB CCOc1ccccc1Nc1nnc(S[C@@H](C(=O)N(C)C)c2ccccc2)s1 12550802 ABWJIYSYWAPFSF-QGZVFWFLSA-N 414.556 4.602 0 40 HJAB CC[C@H](C)c1ccccc1NC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1 12568251 CGEPMAGNJAXILZ-KRWDZBQOSA-N 417.575 4.552 0 40 HJAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1csc(-c2ccccc2)n1 12793210 RXLCTINPYNYXFD-UHFFFAOYSA-N 421.444 4.779 0 40 HJAB O=C(OCc1ccccc1Oc1ccccc1)C1CCN(c2ccc(Cl)nn2)CC1 12854225 XZCYFHWLFMJFBJ-UHFFFAOYSA-N 423.900 4.882 0 40 HJAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1 12914938 FTUJSOQFSHVHCT-KBXCAEBGSA-N 406.429 4.568 0 40 HJAB COc1ccc(C)cc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 13002203 QEPQWGJCDHZXDU-UHFFFAOYSA-N 402.903 4.874 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccco1 13512073 NGPMXOPETZZJRD-UHFFFAOYSA-N 422.510 4.835 0 40 HJAB CC(C)Sc1nc2c3c(sc2c2nnc(SCCCN(C)C)n12)CCCC3 13691010 DJCKHMBPSYEOCS-UHFFFAOYSA-N 421.661 4.762 0 40 HJAB C[C@H](Oc1ccccc1F)c1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)o1 14112937 HYSNZGSUFZIYHH-WDEREUQCSA-N 422.869 4.516 0 40 HJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NC(c1ccccc1)c1ccccc1 15583121 LDMABUHALLUWBY-UHFFFAOYSA-N 401.441 4.714 0 40 HJAB O=c1oc2ccccc2cc1-c1csc(SC[C@H]2COc3ccccc3O2)n1 16525676 MKAXMYIUSQRXHP-CQSZACIVSA-N 409.488 4.849 0 40 HJAB C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccc(-n2cncn2)cc1 18159781 XAYOSJCSTVBRKK-CYBMUJFWSA-N 409.902 4.535 0 40 HJAB O=C(Nc1cccc(F)c1)OCC[C@H]1CCCCN1C(=O)Nc1cccc(F)c1 19075446 CIGCMTCTCODFAW-LJQANCHMSA-N 403.429 4.990 0 40 HJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 20107178 WNNMAYXZRDVQCB-QFIPXVFZSA-N 410.514 4.508 0 40 HJAB COc1ccc(NC(=O)COc2c(C)cc(C)cc2Cl)cc1-c1ccc(CO)o1 20144405 HOMMPBWBQODYKS-UHFFFAOYSA-N 415.873 4.735 0 40 HJAB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1cccc2ccccc12 20611578 QAFAGJTVGIVPOB-UHFFFAOYSA-N 411.299 4.691 0 40 HJAB CCN(Cc1cccs1)C(=O)c1cnn(-c2ccc(Br)cc2)c1C 25344025 VLIYDHSLYDVHSP-UHFFFAOYSA-N 404.333 4.667 0 40 HJAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC(F)F 25457345 AZOFHEWRUYRENR-OAHLLOKOSA-N 419.472 4.726 0 40 HJAB Cc1cccc(Cn2cc(Br)c(NC(=O)[C@H]3C[C@@H]3c3ccccc3)n2)c1 27917551 RYKBAPBYXDEQSM-MSOLQXFVSA-N 410.315 4.745 0 40 HJAB COc1cc(OC)cc(-c2noc(CSc3ccc(-c4ccc(F)cc4)nn3)n2)c1 33022061 BGFSYRXUPWFNBG-UHFFFAOYSA-N 424.457 4.642 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 38772046 XFZVUIWJHJWFRK-HNNXBMFYSA-N 406.320 4.721 0 40 HJAB CN(Cc1ccccc1Br)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 40104632 JKABZFLVFHAFOA-UHFFFAOYSA-N 418.335 4.641 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1cccc(F)c1 40135344 ZZFNVGLNNXUAMV-GASCZTMLSA-N 417.912 4.933 0 40 HJAB C[C@H]1C[C@H](C)n2nccc2N1C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 40146277 CWQSBZRIVHMVKS-STQMWFEESA-N 420.460 4.954 0 40 HJAB Cc1cccc(NC(=O)Nc2ccc(SCc3cc(=O)n4oc(C)cc4n3)cc2)c1 41089721 AAVHPYZIUAFVFE-UHFFFAOYSA-N 420.494 4.841 0 40 HJAB O=C(NCCc1ccccc1)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078771 SEDNGPFTIZHVAM-UHFFFAOYSA-N 418.924 4.906 0 40 HJAB CCc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 49545602 WKICFQMMHXPUTN-HSZRJFAPSA-N 420.553 4.776 0 40 HJAB Cn1c2c(sc1=O)[C@@H](c1ccccc1)CC(=O)N2c1cccc(OC(F)(F)F)c1 49550112 IQEYPSJBNKETJI-OAHLLOKOSA-N 420.412 4.546 0 40 HJAB CCc1ccc(NC(=O)CSC2=NN(CC)CC(Oc3ccccc3)=N2)cc1CC 57401500 HBPXNKZDEQCBII-UHFFFAOYSA-N 424.570 4.567 0 40 HJAB COc1ccccc1-c1nnc(SC(c2ccc(F)cc2)c2ccc(F)cc2)n1N 58423581 CXGWQKOWBMEDEK-UHFFFAOYSA-N 424.476 4.827 0 40 HJAB Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3F)n2)c1 64579573 AFZHYBOVAVMPEU-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3F)n2)cc1 64579627 SLLJDMMPLZRPEO-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1C[S@](=O)Cc1cc(-c2ccccc2)on1 64811953 ZBWYSBFMPPSUSF-NDEPHWFRSA-N 411.914 4.938 0 40 HJAB C[C@H]1CCCCN1C(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 65519613 VALOPHBMHXOAGE-AWEZNQCLSA-N 402.336 4.528 0 40 HJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(F)cc(F)c2)nc1 67294325 SYHGQLIKPHNMAS-ROMGYVFFSA-N 407.376 4.605 0 40 HJAB Cc1ccc(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)c(OCc2ccccc2)c1 71839163 DAYNQJDOSHLXPQ-UHFFFAOYSA-N 400.434 4.775 0 40 HJAB CCN(C[C@@H]1CCN(C(=O)CCSc2ccc(C)c(C)c2)C1)CC(F)(F)F 72311405 MOAUOWRFLVVQNK-KRWDZBQOSA-N 402.526 4.518 0 40 HJAB Cc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)c(C)c1 98212664 LIEGTOURBJZVGJ-UHFFFAOYSA-N 408.933 4.746 0 40 HJAB O=C(COc1ccccc1)Nc1nc(C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)cs1 101024346 WXMDGVMKMHDJPE-LDSOLPTJSA-N 402.947 4.990 0 40 HJAB COc1ccccc1N1C(=O)/C(=C\Nc2ccc(C(C)=O)cc2)c2ccccc2C1=O 101189138 AFJIAMBFTVSTBA-QNGOZBTKSA-N 412.445 4.538 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C 222483980 NCBLSPUJSRCADX-GBXCKJPGSA-N 424.585 4.577 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 223109111 FACSEERZDKLUIJ-FQEVSTJZSA-N 418.990 4.684 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 223440602 CAJDIFGRYUWUHQ-QFIPXVFZSA-N 412.549 4.707 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 223695518 KNWAKBHFLJTBBR-MIDMBNTASA-N 402.494 4.853 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC3CCCCCC3)c2)cc1 224026737 LVMJSZVUXYONFJ-UHFFFAOYSA-N 414.571 4.886 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 225189786 OKCCLWRSBBWAJC-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(C)cc2C)c1 225337230 VAVDPVZICWCLGY-IQJJTXKVSA-N 402.494 4.853 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1F 225379146 CWLUTMYVUPHXRM-XMMPIXPASA-N 424.560 4.667 0 40 HJAB Nc1nnc(/C=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)o1 226338575 JGKDOZIMFPPZKN-XBXARRHUSA-N 406.667 4.817 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(OC)c(OC)cc3Cl)N21 260772358 NKQQZKHJKSDOBJ-HQOQDVMHSA-N 403.935 4.732 0 40 HJAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(OC(C)C)cc3)C2=O)c1 409360332 ZXPUWAXUVVBRQN-NDENLUEZSA-N 424.522 4.766 0 40 HJAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c(C)c1 409372306 DEACQUCPYYOMOG-LICLKQGHSA-N 414.914 4.940 0 40 HJAB O=C(c1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)nc1)N1CCC[C@H]1C1CCCC1 563671353 URXJUJPIDVCWMH-XZOQPEGZSA-N 409.574 4.671 0 40 HJAB O=C(Nc1nc([C@@H]2CCCN2Cc2ccc(Cl)cn2)cs1)c1ccc(F)cc1 585295214 QFSCQLSEGIMIRA-SFHVURJKSA-N 416.909 4.920 0 40 HJAB Cc1csc(N2CCN(C(=O)c3cc(C)c(-c4ccc(F)cc4)s3)CC2)n1 588084413 PRFIZFNEVHEBQN-UHFFFAOYSA-N 401.532 4.590 0 40 HJAB FC(F)(F)c1ccc(N2CC[C@@H](Nc3ccc4nnc(-c5ccccc5)n4n3)C2)cc1 604379548 RWOMKJQHQPDZRM-QGZVFWFLSA-N 424.430 4.501 0 40 HJAB CCOc1cc(S(=O)(=O)Oc2cccc3ccccc23)ccc1Br 1889291919 XFJAVPKFOLKEQK-UHFFFAOYSA-N 407.285 4.769 0 40 HJAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(O)cc1 676223 XFQRQCNNXBOBDH-UHFFFAOYSA-N 423.325 4.708 0 40 HJAB O=C(NC1CCCC1)[C@H](c1cccs1)N(Cc1cccs1)C(=O)C(F)(F)F 800232 SDPFWEICGHLAHR-HNNXBMFYSA-N 416.490 4.501 0 40 HJAB Cc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1N1C(=O)c2ccccc2C1=O 992759 JDMYYLJLQDSVEU-UHFFFAOYSA-N 405.837 4.806 0 40 HJAB CC(C)(C)C(=O)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCCC1 1340168 DGHDSYDGDNSTOI-UHFFFAOYSA-N 401.576 4.571 0 40 HJAB CCn1c(SCC(=O)OC)nnc1-c1sc2cc(Cl)ccc2c1Cl 1473132 PIJNUCGOYYDLJB-UHFFFAOYSA-N 402.328 4.752 0 40 HJAB CCOc1ccc(OCCSc2nc(-c3ccccc3Br)n[nH]2)cc1 2622778 VTKGLUBEHKNJDU-UHFFFAOYSA-N 420.332 4.804 0 40 HJAB Cc1cc(NC(=O)COC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)no1 2657610 DDMYPQBITXESKK-UHFFFAOYSA-N 419.359 4.541 0 40 HJAB NC(=O)COc1cc2c(-c3cc4ccccc4o3)cc(=O)oc2cc1-c1ccccc1 4586251 QEVPKUKJUDGYQK-UHFFFAOYSA-N 411.413 4.737 0 40 HJAB biogenic Cc1c(CCC(=O)NCc2ccco2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 4743878 AOZBWQDBFBCQJH-UHFFFAOYSA-N 407.466 4.987 0 40 HJAB Cn1c(CNC(=O)c2ccccc2-c2ccccc2)nnc1SCc1ccccc1 5001698 WRIOTKDJEZVQPJ-UHFFFAOYSA-N 414.534 4.704 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C 5036694 KOUZZMSGYHCZRV-UHFFFAOYSA-N 409.555 4.790 0 40 HJAB O=C(COc1ccc2ccccc2c1)NCCc1csc(-c2ccc(F)cc2)n1 5137368 KZYCORHAKVCSLF-UHFFFAOYSA-N 406.482 4.840 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1Br 5560910 HHZYFECFDXAWNJ-UHFFFAOYSA-N 407.264 4.973 0 40 HJAB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1 5833443 SOLDESXEIFJAHV-UHFFFAOYSA-N 409.507 4.739 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2ccccc2F)s1 6237367 QAQPVKYKJRFMEX-UHFFFAOYSA-N 409.895 4.884 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1cccc(F)c1 6831392 SGFSKKBECYTDCU-UHFFFAOYSA-N 410.499 4.866 0 40 HJAB O=C(CCc1nc(-c2ccccc2)no1)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 8061158 XGXJMIPDXYYBFT-UHFFFAOYSA-N 416.408 4.645 0 40 HJAB Cc1ccccc1OCC(=O)NCc1ccc(-c2ccc(Br)cc2)o1 8071631 VIFUNVASCLOGNR-UHFFFAOYSA-N 400.272 4.713 0 40 HJAB Cc1ccccc1NC(=O)Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S 8571393 GHVDUVKKYDLZHG-UHFFFAOYSA-N 409.511 4.611 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](NCc1cn2ccccc2n1)c1ccccc1 8746629 SMOPSNBJTQYGDF-OAQYLSRUSA-N 424.426 4.823 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1Cl 9192467 KXAWJFBXUTVJEV-UHFFFAOYSA-N 419.912 4.555 0 40 HJAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4cccc(Cl)c4C)ncnc32)cc1 9233443 GNGNEEQRUMJSOV-UHFFFAOYSA-N 423.929 4.817 0 40 HJAB O=C(c1sccc1-c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9460004 WMTQZKWSWXVGPQ-UHFFFAOYSA-N 403.507 4.535 0 40 HJAB C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1 9515260 JQBGXJFVNSXMJJ-FQEVSTJZSA-N 416.521 4.520 0 40 HJAB COc1cc(-c2nc3cc(NC(=O)/C=C/c4ccco4)ccc3o2)cc(OC)c1OC 10120248 URJSYTHLOZNCGA-VQHVLOKHSA-N 420.421 4.766 0 40 HJAB CCc1ccc(NC(=O)[C@@H]2Sc3ccc(C)n3N[C@@H]2c2ccc(OC)cc2)cc1 11117563 GPXHILFORWSJLA-FGZHOGPDSA-N 407.539 4.765 0 40 HJAB COc1cc(OC)c(C2=CCN(C(=O)[C@H](C)Sc3ccccc3)CC2)c(OC)c1 11918394 UENPCEKYUIVSBM-INIZCTEOSA-N 413.539 4.509 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccn4c3NC(C)(C)C)C2)no1 12088138 HROUOTWZSBMFPD-MRXNPFEDSA-N 409.534 4.676 0 40 HJAB Cc1nc(NC(=O)COc2ccc(Br)cc2F)c(Cl)cc1Cl 12991901 KVIKGAMKKPAUQH-UHFFFAOYSA-N 408.054 4.616 0 40 HJAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 13673735 VQZFTFCTNLRBEV-GOSISDBHSA-N 408.523 4.595 0 40 HJAB CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3cccc(C)c3)C(=O)[C@H]2ON1c1ccccc1 13752121 QGBCDYBRZMPPGI-HWHRFOGPSA-N 406.526 4.890 0 40 HJAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 13999713 GCTUWIROTVZSOB-MOPGFXCFSA-N 402.494 4.892 0 40 HJAB COc1ccccc1CCC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl 14093338 JOBSGNGRNWKYAN-UHFFFAOYSA-N 404.297 4.818 0 40 HJAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)Cc3ccccc3)c2)c1C 14405382 HWCBTXNJZSEAED-UHFFFAOYSA-N 404.514 4.734 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2Cl)cc1 20042809 WVDOAWJIPSMFLH-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(OC(C)C)cc4)c3)nn12 20609647 CXJOSAOVBGBGHU-UHFFFAOYSA-N 421.526 4.845 0 40 HJAB CCn1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(=O)c2cc(OC)ccc21 22235816 CLTKDKVFPXFREP-UHFFFAOYSA-N 424.806 4.955 0 40 HJAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)Nc1ccc2c(c1)OCO2 22507630 FWJSPFOMXNHXEV-UHFFFAOYSA-N 415.449 4.539 0 40 HJAB CC(C)c1noc(COC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)n1 22751467 SCNJKGAYCIHHIS-UHFFFAOYSA-N 411.487 4.604 0 40 HJAB CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccc(OC2CCCC2)c(OC)c1 22931894 NNBDWDGNSHBVGR-HSZRJFAPSA-N 423.601 4.898 0 40 HJAB O=C(CCn1c(=O)oc2ccccc21)N[C@H](c1ccccc1)c1cc2ccccc2o1 24709337 KURJRHDDHDCNDS-XMMPIXPASA-N 412.445 4.637 0 40 HJAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 25897080 UTLHKNODJQDGBS-UNMCSNQZSA-N 420.559 4.725 0 40 HJAB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)NCC1(c2ccccc2)CC1 26514035 ULWZONMWGDPQBC-UHFFFAOYSA-N 417.456 4.589 0 40 HJAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 30847956 LOTWXPBQIUEMRA-GOSISDBHSA-N 402.494 4.585 0 40 HJAB COc1cccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4cccc(Cl)c4)nn32)c1 32096142 DCIQVLQHPSOEIV-KRWDZBQOSA-N 410.861 4.692 0 40 HJAB Cc1ccc(C(=O)NCc2nnc(SCc3ccc(Cl)cc3Cl)n2C)cc1 34687537 DTMCESJVEAJDMO-UHFFFAOYSA-N 421.353 4.653 0 40 HJAB COc1ccc2nc(CN(Cc3ccncc3)C3CC(C)(C)NC(C)(C)C3)ccc2c1 36740559 FVTNPUGAEMJXCZ-UHFFFAOYSA-N 418.585 4.950 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 44855712 PKURWUSWWPZKCX-FDDCHVKYSA-N 422.569 4.959 0 40 HJAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c(C)c1 44912003 LDXJDORDRVRHRF-IBGZPJMESA-N 414.933 4.676 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCCN1CCCC[C@H]1C 48236771 KIMUKFSJTQCZTO-CQSZACIVSA-N 407.917 4.827 0 40 HJAB COc1ccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc23)cc1OC 49005199 ABEQPFCQRZSIEY-MRXNPFEDSA-N 420.513 4.714 0 40 HJAB Cc1nc(-c2ccccc2)sc1CC(=O)N1CCN(C/C=C/c2ccccc2)CC1 49026975 CLCJQBBFRWAHOP-DHZHZOJOSA-N 417.578 4.519 0 40 HJAB CC(C)Sc1nnc(CCCCCN2C(=O)c3cccc4cccc(c34)C2=O)o1 54363673 BAPILBKISJCESF-UHFFFAOYSA-N 409.511 4.732 0 40 HJAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1cc(Cl)ccc1N1CCCCC1 58014248 PWSXXFWOKAKSBG-LJQANCHMSA-N 403.958 4.763 0 40 HJAB O=C(CCc1ccc(-c2ccccc2)o1)NC[C@@H]1CCCN(Cc2ccccc2)C1 58175724 OFUZKJCDGUJRKA-QFIPXVFZSA-N 402.538 4.908 0 40 HJAB O=S(=O)(c1cccc(Cl)c1)N(Cc1ccccc1)Cc1ccnc(Cl)c1 58182761 JDAVJNZRBISKRO-UHFFFAOYSA-N 407.322 4.780 0 40 HJAB Cc1ccc(C)c(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C(C)C)c(=O)c32)c1 65113606 WNOVBIWFAUOSIJ-UHFFFAOYSA-N 414.509 4.701 0 40 HJAB COc1ccc(-n2c(SCc3cc(F)ccc3F)nc3ccccc3c2=O)cc1 67258867 ZVOMXLMNURPLNF-UHFFFAOYSA-N 410.445 4.965 0 40 HJAB O=C(NCC1CCN(c2nc3ccccc3s2)CC1)c1cc(-c2ccccc2)on1 70931658 PXMPUXODTBZPBB-UHFFFAOYSA-N 418.522 4.598 0 40 HJAB O=C(CSc1ncnc2c(-c3ccc(F)cc3)c[nH]c12)Nc1cc(F)ccc1F 71328179 YJNRNGNRZXUTAC-UHFFFAOYSA-N 414.412 4.773 0 40 HJAB CCOc1ccc(-c2cc3c(=O)n(Cc4cc(F)cc(F)c4)ccn3n2)cc1Cl 72329619 QBURGTCVCOTKHE-UHFFFAOYSA-N 415.827 4.542 0 40 HJAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccs1 72330406 LUQCUPUKHROZKV-GCJKJVERSA-N 409.530 4.666 0 40 HJAB CC(=O)N1CCC(N2CCC[C@@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)CC1 72350216 DAMHNSDVUWQNGX-HXUWFJFHSA-N 411.977 4.516 0 40 HJAB O=C(CCc1ccc(F)cc1)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 72359179 AIZRUKHHTHVSJT-LJQANCHMSA-N 407.464 4.761 0 40 HJAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 96053464 SDYTWPCIBBZWED-HXUWFJFHSA-N 412.599 4.908 0 40 HJAB CCSC1=NC2(CCN(C(=O)Nc3cccc(C)c3)CC2)N=C1c1ccccc1 96399271 XISLFPNPEOSYEJ-UHFFFAOYSA-N 406.555 4.974 0 40 HJAB Cc1cc(Br)ccc1N1C(=O)[C@H]2[C@@H]3C[C@H](C[C@H]3c3ccccc3)[C@H]2C1=O 102835327 QTUXOXRRJXFRKM-BEUFEYIVSA-N 410.311 4.687 0 40 HJAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O)Nc1ccccc1 106709345 CLEMHVOJULOOGC-UNOMPAQXSA-N 422.437 4.761 0 40 HJAB O=C(Nc1ccc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1)C1CCCCC1 112287706 SMFDOCSDADSDIS-HXUWFJFHSA-N 408.523 4.630 0 40 HJAB CCN(c1ccc2sc(C(=O)NCC(C)C)cc2c1)S(=O)(=O)c1ccccc1 223393079 VBLHVJYNIOIPAE-UHFFFAOYSA-N 416.568 4.502 0 40 HJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(C(=O)OC)ccc3C)ccc21 223839012 WPQHJEQXKHPMCH-UHFFFAOYSA-N 422.506 4.710 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 223877352 VMTMFNYTKKCSMZ-MRXNPFEDSA-N 421.368 4.706 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 225543633 WCFITJKODVSSAB-URXFXBBRSA-N 424.585 4.713 0 40 HJAB CCCOc1ccc(N2C[C@H](C(=O)NC3CCC(C(C)(C)CC)CC3)CC2=O)cc1 408709064 WUZIGQXFMOKPJT-XEVCZEQESA-N 414.590 4.940 0 40 HJAB Cc1ccc(OCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 848350 GRECPJXEDYQMLC-UHFFFAOYSA-N 417.328 4.822 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)c3c(C)c(C)cc(C)c3C)o2)c(OC)c1 929441 GIXXOKGIKFJKMG-UHFFFAOYSA-N 412.511 4.962 0 40 HJAB O=c1[nH]c(-c2ccc(Br)s2)nc2c1sc(=S)n2-c1ccccc1 1444479 GJRZJWVHWMGMPF-UHFFFAOYSA-N 422.354 4.996 0 40 HJAB O=C(Nc1ccccc1Cl)c1cc(Br)cc(Br)c1O 1606577 FHSUQICSJNEUKE-UHFFFAOYSA-N 405.473 4.823 0 40 HJAB C[C@H](OC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)C(=O)NC1CCCC1 2640553 LJUJCTCFOSTOEQ-AWEZNQCLSA-N 405.416 4.977 0 40 HJAB CCCc1oc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2c1C(=O)OCC 2685443 AWAAGMJNLWGJDK-UHFFFAOYSA-N 419.474 4.810 0 40 HJAB COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 2703663 DPYXFZKTWQSHPN-QFIPXVFZSA-N 412.445 4.563 0 40 HJAB CCOc1ccccc1NC(=O)COc1ccccc1CNc1cccc(OC)c1 3285649 PDHQZXDQQGLTFE-UHFFFAOYSA-N 406.482 4.724 0 40 HJAB O=C(NC1CCCCCCC1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O 3293745 XLWPWHFDXWEFOR-UHFFFAOYSA-N 410.901 4.983 0 40 HJAB Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1 3359970 NXEVGLPLJDSFHB-UHFFFAOYSA-N 401.462 4.807 0 40 HJAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3ccc(SC)cc3)N2C1=O 3636759 JOXGTVRRBSEHJW-FUHWJXTLSA-N 418.584 4.646 0 40 HJAB C[C@]12CC[C@@H]3c4ccc(OC(=O)CCN5CCCCC5)cc4CC[C@H]3[C@@H]1CCC2=O 4028099 KBZHXUQCKRKJLU-ONJIFJTESA-N 409.570 4.893 0 40 HJAB biogenic CCOc1ccc(CC(=O)N2CCN=C2SCc2c(F)cccc2Cl)cc1 4120167 HCSRRQJCJUBAQF-UHFFFAOYSA-N 406.910 4.552 0 40 HJAB CCN(CC)CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccccc1 4231189 VAMKWELWOBBHFI-UHFFFAOYSA-N 420.557 4.603 0 40 HJAB COc1cc(OC)cc(-c2nnc(NC(=O)c3ccc(Cc4ccccc4)cc3)o2)c1 4276129 UZXMWSXSRWSZLO-UHFFFAOYSA-N 415.449 4.597 0 40 HJAB CC(C)(C)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 4469875 COKGLMDSDSTJBU-PEZBUJJGSA-N 418.493 4.776 0 40 HJAB CCOc1ccc(-c2noc(CCCC(=O)Nc3ccc(C)c(C)c3)n2)cc1OC 4488197 QVUMVGDYKGLHDD-UHFFFAOYSA-N 409.486 4.722 0 40 HJAB C[C@H](NC(=O)CCC(=O)NCCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 4681292 YKUUQAWZZFLRLF-QNHAZURESA-N 416.993 4.500 0 40 HJAB CCC(C)(C)n1nnnc1[C@@H](c1cccc(C(F)(F)F)c1)N1CCc2ccccc21 4925120 MUABTSQNCMRAFS-LJQANCHMSA-N 415.463 4.989 0 40 HJAB Cc1ccccc1Nc1nc(N)nc(CSc2nc(C)c(C)n2C2CCCC2)n1 5090327 PKXZVVCRCSHMCM-UHFFFAOYSA-N 409.563 4.727 0 40 HJAB CCc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(C)c(Br)c2)cc1CC 5556991 HPCUKENXULVLKS-IBGZPJMESA-N 418.331 4.828 0 40 HJAB Cc1cc(NC(=O)COC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)no1 5987724 REYRSZSCACFBRC-UHFFFAOYSA-N 416.886 4.724 0 40 HJAB CC[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1)C(=O)OC 6387927 PQRHSZWQVCTIMF-GOSISDBHSA-N 410.474 4.598 0 40 HJAB COc1ccc2[nH]c(S[C@H](C(=O)NCc3ccccc3)c3ccccc3)nc2c1 8018964 WSMIBHKAFLZBQD-NRFANRHFSA-N 403.507 4.721 0 40 HJAB Cc1c(O)ccc2c(CN3CCC(c4nc5ccccc5s4)CC3)cc(=O)oc12 8201944 BYGPHWHQLFQYMG-UHFFFAOYSA-N 406.507 4.796 0 40 HJAB COc1cccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 8229605 CIWGTOFJWGXRFU-UHFFFAOYSA-N 403.507 4.599 0 40 HJAB COc1ccc([C@H]2C[C@@H](c3ccccc3)N(C(=O)c3cccc(C)c3)c3ncnn32)cc1 9289007 JAOXREPSAXXEDK-BJKOFHAPSA-N 424.504 4.976 0 40 HJAB O=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1ccc(Br)cc1F 9436268 KDDZDKVWCAZFKK-UHFFFAOYSA-N 423.213 4.538 0 40 HJAB Cc1cccc(-n2c(C)nnc2SCC(=O)N2CC[C@@H](C)Sc3ccccc32)c1 9728408 BFAKLAIYNSQGCG-MRXNPFEDSA-N 424.595 4.894 0 40 HJAB Cc1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 10371624 DEPOFBIIFQBNBE-IBGZPJMESA-N 422.550 4.547 0 40 HJAB O=S(=O)(NCc1coc(-c2cccs2)n1)c1ccc(Cl)cc1C(F)(F)F 10683726 GJEGAYSGBIRCMJ-UHFFFAOYSA-N 422.837 4.554 0 40 HJAB CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)Cc2ccc(Cl)cc2)n1 11057710 QCNOQGCMRLACHU-UHFFFAOYSA-N 403.866 4.742 0 40 HJAB CC[C@H](C)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(N)cc2OC)cc1 11458266 WOAPZPMRQAXNGW-QWHCGFSZSA-N 404.894 4.628 0 40 HJAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)Nc1cccc(Br)c1 11865842 VBJFAVDMWNNZJE-MRXNPFEDSA-N 405.317 4.724 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@H](c3c(OC)ccc4ccccc34)C2)cc1OC 12420724 ISAVBNKXOYLGQH-FQEVSTJZSA-N 404.466 4.563 0 40 HJAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(Br)cc1Cl 12895861 RVZCKGSGDGKCTK-UHFFFAOYSA-N 412.696 4.785 0 40 HJAB CSc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 13228272 ISZICNUEWDIEFY-OAQYLSRUSA-N 414.486 4.968 0 40 HJAB Cc1cc2ncc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C)n2n1 14184176 NTMZYUPWEPQHCS-UHFFFAOYSA-N 402.298 4.636 0 40 HJAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc2ccccc2c1 14291287 RAVMBGRXEDZDGS-UHFFFAOYSA-N 415.478 4.575 0 40 HJAB Cc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 15822770 ALFFIRWAVMVFIK-OAHLLOKOSA-N 404.919 4.744 0 40 HJAB CCSc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)s1 16752587 YCWIKSIDHSEHMK-INIZCTEOSA-N 421.503 4.506 0 40 HJAB COc1ccc(-n2c(SCc3c(F)cccc3F)nnc2-c2ccccn2)cc1 16789517 AACZRWVDRXWHNX-UHFFFAOYSA-N 410.449 4.908 0 40 HJAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(OC)c(Cl)c2)cc1 17094142 YNNXFURVICTNCC-UHFFFAOYSA-N 424.884 4.767 0 40 HJAB Cc1ccc(CC(=O)NCc2ccc(-c3nc(C)ncc3-c3cc(C)no3)cc2)cc1 19210082 ZCSXETZRVNAVCJ-UHFFFAOYSA-N 412.493 4.583 0 40 HJAB Cc1nccn1-c1ccc(CN2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)cc1 19288268 RPSRPDQWIDKGRT-HXUWFJFHSA-N 422.916 4.579 0 40 HJAB Cc1sc(NC(=O)CCCc2nc(-c3cccnc3)no2)nc1-c1ccc(F)cc1 19555551 OIZAIFONIJITTE-UHFFFAOYSA-N 423.473 4.664 0 40 HJAB COc1cccc(C(=O)N2CCC(c3ccc(Cc4cccc(F)c4)cn3)CC2)c1 19690276 OVMCBRVIAJNGFY-UHFFFAOYSA-N 404.485 4.840 0 40 HJAB Cc1c(C(=O)N2CCO[C@@H](c3nccnc3-c3cccc(F)c3)C2)oc2ccccc12 19693116 XDLZIMAOUDLXES-HXUWFJFHSA-N 417.440 4.551 0 40 HJAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2C(=O)c2ccccc2)n1 19694426 KUVMBAHLYPKDMK-OAQYLSRUSA-N 404.489 4.716 0 40 HJAB O[C@](CN1CCN(c2cccc(Cl)c2)CC1)(c1ccccc1)c1ccc(F)cc1 20366002 QLXVNUMUFFAXIR-XMMPIXPASA-N 410.920 4.537 0 40 HJAB CCSC1=NC2(CCN(C(=O)Nc3cccc(OC)c3)CC2)N=C1c1ccccc1 20578204 HUNUNODODUYIGC-UHFFFAOYSA-N 422.554 4.674 0 40 HJAB CCn1c(=O)c2ccccc2n2c(COc3ccc4oc5ccccc5c4c3)nnc12 26776910 YLMPIDYHEFYVBJ-UHFFFAOYSA-N 410.433 4.543 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1ccc(Cn2cc(Br)cn2)cc1 27969898 OAMNMCATKADNMZ-UHFFFAOYSA-N 420.694 4.608 0 40 HJAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cccc(OCc2cscn2)c1 32195451 BFJZMOKHRYNRBV-UHFFFAOYSA-N 413.587 4.641 0 40 HJAB CN(C)[C@H](CNC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1)c1cccc(F)c1 32216914 NAIMYMVTKUYIQI-CTDFXDFQSA-N 413.493 4.521 0 40 HJAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(SC3CCCC3)cc2)no1 32809468 TXZKSBDAPRUTGO-CQSZACIVSA-N 419.572 4.717 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C3CCC(C)CC3)c2)cc1F 32845417 SSLAJUZRDIZVAF-UHFFFAOYSA-N 418.534 4.586 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1Cn1ccnc1 32859993 MTRIOLALGNZOIW-UHFFFAOYSA-N 424.863 4.617 0 40 HJAB CC(=O)c1ccc(OCCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 32899709 CBYAMDWXLMEGOT-UHFFFAOYSA-N 405.479 4.673 0 40 HJAB COc1ccccc1NC(=O)CCSc1nnc(Nc2ccccc2F)s1 40025042 BVTPBUBYXFZESB-UHFFFAOYSA-N 404.492 4.550 0 40 HJAB CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1O 43079161 WBDAPGGYDYULBA-NVNXTCNLSA-N 415.287 4.716 0 40 HJAB COc1ccc(-c2csc(CCNC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 48326853 PMEJHAOBMDVKDN-UHFFFAOYSA-N 406.429 4.810 0 40 HJAB CCCCOc1ccc(NC(=O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 57711503 WAGMUPVMAVPADB-UHFFFAOYSA-N 415.965 4.588 0 40 HJAB C[C@@H](Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)C(=O)NC(C)(C)C 65975492 COGYKWWWBPIYCR-OAHLLOKOSA-N 413.949 4.535 0 40 HJAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)n1 72334723 QNMYECPYXQZAPB-KRWDZBQOSA-N 422.916 4.609 0 40 HJAB CN(Cc1csc2ccccc12)S(=O)(=O)c1ccccc1OC(F)(F)F 83867708 LNJFDAIASBRMEM-UHFFFAOYSA-N 401.431 4.621 0 40 HJAB O=C(Nc1cccc(C2SCCS2)c1)C(=O)N1CCC[C@@H]1c1cccs1 95954001 RXCXAAXGBBHUCB-OAHLLOKOSA-N 404.582 4.529 0 40 HJAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21 96053460 CDGACEMIRWHYIY-LJQANCHMSA-N 412.599 4.908 0 40 HJAB O=C(CSC1=N[C@@H]2Nc3ccccc3[C@@H]2N=N1)c1ccc(Br)cc1 96191567 IAFNBRWCIVSKTH-HOTGVXAUSA-N 401.289 4.680 0 40 HJAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4ccccc4C)C3=C(O)C2)c(OC)c1 102316502 WJMJNNQUNMHWHS-NPMXOYFQSA-N 416.481 4.669 0 40 HJAB Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1 107879462 IUPRWEPKJDCHBU-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1cccc(N2CCCC2=O)c1 219208779 VEGPGFRKARWKRK-UHFFFAOYSA-N 423.365 4.783 0 40 HJAB CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222626420 JCASXQISTDQUOH-SSKFGXFMSA-N 404.539 4.860 0 40 HJAB Cc1cccc(N(CCCC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)c1C 222633001 WCWBROOPGCSYQT-UHFFFAOYSA-N 416.587 4.920 0 40 HJAB CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(OC)c(C)c1 222859073 IBYWQEXFPZTURF-QGZVFWFLSA-N 402.343 4.881 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 223592844 BDLPMDZRLHBOLT-XMMPIXPASA-N 424.585 4.878 0 40 HJAB CC(C)(C)c1ccc(OCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 223656820 CIWMTNGYFAKEBB-FQEVSTJZSA-N 412.549 4.530 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccc(C)cc1 225443518 AQZZIFBVRQDIDQ-VXKWHMMOSA-N 424.585 4.529 0 40 HJAB Cc1cccc(CN(C(=O)CCSCc2ccccc2)[C@H](C)C(=O)NC(C)C)c1 225510433 YRMUQMCYOVGVIO-HXUWFJFHSA-N 412.599 4.560 0 40 HJAB CCCOc1ccccc1CCCNC(=S)Nc1cccc(C(=O)OCC)c1 225625798 UPABFRBEMCAIPN-UHFFFAOYSA-N 400.544 4.571 0 40 HJAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccc(Br)cc1F 225793835 LIPPTIHEDNSWBP-UHFFFAOYSA-N 400.251 4.530 0 40 HJAB COc1ccc(CN(CC(=O)O)C(=O)c2ccccc2Oc2ccc(C)cc2)cc1 257224276 FBBVPEVDRFUKGS-UHFFFAOYSA-N 405.450 4.523 0 40 HJAB C[C@]1(O)CCN(C(=O)c2cc3cc(Cl)ccc3o2)C[C@@H]1Oc1cccc(Cl)c1 257288152 PTCFAZLYOULEAZ-FPOVZHCZSA-N 420.292 4.784 0 40 HJAB COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(F)cc2)cc1 408628125 UOZQRNKEVUWGGJ-UHFFFAOYSA-N 405.878 4.883 0 40 HJAB CCCN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)C1=O 409345874 LSHZBBSMBYVHCV-MOSHPQCFSA-N 424.522 4.767 0 40 HJAB C[C@@](O)(CCc1ccccc1)C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 513215235 VPUQTIHNQWMEBB-HSZRJFAPSA-N 410.901 4.636 0 40 HJAB CC1=CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)CSc4ccccn4)cc3cc21 575473313 YGIBIPUSNWNXML-UHFFFAOYSA-N 406.507 4.795 0 40 HJAB C[C@H](CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1nc(-c2ccccc2)no1 1152967749 NMLYEEQIVFKQAD-LLVKDONJSA-N 409.795 4.942 0 40 HJAB CO[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21)c1ccccc1C(F)(F)F 1538165939 ZBBRRSPGGJDGEX-WMZOPIPTSA-N 411.395 4.951 0 40 HJAB Cn1cc(-c2ccc(CCNC(=O)C3c4ccccc4Oc4ccccc43)cc2)cn1 1889302878 LTYPKMSGSNNSKV-UHFFFAOYSA-N 409.489 4.684 0 40 HJAB Cc1ccc(CSc2nnc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)s2)cc1 702358 YBCFQHLJVIKPIA-CYBMUJFWSA-N 403.504 4.684 0 40 HJAB Cc1ccc(-c2nnc3sc(COc4ccc(Br)cc4)nn23)cc1 1016544 AHLCQDSVYALSFF-UHFFFAOYSA-N 401.289 4.503 0 40 HJAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(I)cc1 1775884 BWBTWRMRQLGIED-UHFFFAOYSA-N 415.658 4.742 0 40 HJAB CCOc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)cc1 3012995 IAFZDGIFIHPFSK-WBVHZDCISA-N 420.391 4.787 0 40 HJAB O=C(Nc1ccc(SC(F)F)cc1)c1ccc(I)cc1 3231059 YOUBQAQRETZOBK-UHFFFAOYSA-N 405.207 4.858 0 40 HJAB CCOc1ccccc1NC(=O)[C@@H](Oc1ccc2ccc(=O)oc2c1)c1ccccc1 4579991 ARTNGRKVLKOEAN-DEOSSOPVSA-N 415.445 4.951 0 40 HJAB C[C@H](NC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 4588129 VBDCJUGKEMKKLI-IBGZPJMESA-N 402.494 4.862 0 40 HJAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OC 4680072 SKYQQFQATRCHQR-WOJGMQOQSA-N 403.887 4.984 0 40 HJAB COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)ccc1O 4733934 SFCXFZCZBLZQHJ-UHFFFAOYSA-N 409.829 4.841 0 40 HJAB aggregator C[C@@]1(C(=O)Nc2cc(Cl)ccc2Cl)CC1(Br)Br 4740693 HIXCTRLMZHESCM-JTQLQIEISA-N 401.913 4.828 0 40 HJAB Cc1cccc(Nc2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)s2)c1 4838069 ATQKOJIADFDWOK-GOSISDBHSA-N 410.568 4.876 0 40 HJAB O=C(CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 5218911 ARYCMISIZKOYJP-PMVMPFDFSA-N 416.924 4.786 0 40 HJAB Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN23)cc1 5603172 KVRHKXLTAFXWKC-YKSBVNFPSA-N 402.425 4.839 0 40 HJAB CCCCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC(C)(C)C)cc1 6273292 JIXHDZUFPREGIB-IBGZPJMESA-N 404.576 4.780 0 40 HJAB CCCCc1ccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 6652999 QKNQGZKWACLNMF-UHFFFAOYSA-N 410.539 4.587 0 40 HJAB O=C(COC(=O)COc1ccc2ccccc2c1)Nc1cc(Cl)ccc1Cl 6886319 KKTHBTXXIOUNBU-UHFFFAOYSA-N 404.249 4.707 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(N2CCCCCC2)cc1 7239942 AKVUYIBLQSOJAS-DEOSSOPVSA-N 403.526 4.970 0 40 HJAB C[C@H](NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1 7939898 PGFWZMNWHFBOMA-AWEZNQCLSA-N 410.297 4.573 0 40 HJAB O=C(CNc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(N2CCCC2)cc1 8156932 KGKAVMQMPSLHRQ-UHFFFAOYSA-N 414.509 4.590 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)c4cnc5sccn5c4=O)cc3)sc2c1 9381284 WUNFYZIOKJWZPQ-UHFFFAOYSA-N 418.503 4.593 0 40 HJAB CC(C)c1ncc2c(n1)C1(CCN(Cc3cccc(Cl)c3Cl)CC1)OCC2 12407130 VRBMJGKWUDYOON-UHFFFAOYSA-N 406.357 4.971 0 40 HJAB Brc1cncc(-c2nn3c(Cc4cccc5ccccc45)nnc3s2)c1 12408074 JPAMKHNYZDADQM-UHFFFAOYSA-N 422.311 4.754 0 40 HJAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)NCCc1ccc(Cl)cc1 12537549 DBCAPAMCGKPDHM-UHFFFAOYSA-N 419.912 4.628 0 40 HJAB CCOC(=O)c1c(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)sc(C)c1C 12634702 VOJJKJHXZNLGIX-UHFFFAOYSA-N 423.947 4.802 0 40 HJAB Cc1ccc(CN(CCc2ccccc2)Cc2cc(=O)n3c(C)cccc3n2)s1 12772294 NQRDPWHINMJBSN-UHFFFAOYSA-N 403.551 4.618 0 40 HJAB COc1cc(CSc2nc(CC(=O)Nc3cccc(C)c3)cs2)cc(OC)c1 13010325 LUPXWBZGVBZBQA-UHFFFAOYSA-N 414.552 4.942 0 40 HJAB COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](c1cccc(Cl)c1)C3 13639370 VKAYLAUOFKEVHB-INIZCTEOSA-N 418.884 4.504 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cc(Cl)ccc1OC 14084710 IDVHOJHQXWABOI-UHFFFAOYSA-N 416.934 4.666 0 40 HJAB O=C(Nc1ccc(OC(=O)c2cc3ccccc3oc2=O)cc1)c1ccccc1Cl 15540821 HGOSKVAIUDEHAI-UHFFFAOYSA-N 419.820 4.918 0 40 HJAB CCOC(=O)c1cc(OCC(=O)Nc2ccc(Cl)cc2)c2cc(Cl)ccc2n1 15829024 LKAXMRPVZPZKNS-UHFFFAOYSA-N 419.264 4.736 0 40 HJAB CN(C)C(=S)S[C@@H]1C(=O)c2cc(Br)ccc2O[C@@H]1c1ccccc1 16163084 CGJPGHHUDOQHAA-IAGOWNOFSA-N 422.369 4.714 0 40 HJAB C[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccc(Cl)cc1Cl 17579056 INJCALNFZOUQRN-JEOXALJRSA-N 407.322 4.800 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccs2)C1 19449621 JCJHGZRDGGXCMW-VWLOTQADSA-N 419.594 4.770 0 40 HJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)nc(C(F)(F)F)n4C)cc2)n1 19659963 NNIQGABSPFIFEN-UHFFFAOYSA-N 413.403 4.647 0 40 HJAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3ccccc3N3CCCC3)c2)n1 19718328 GCTUEOGJXHNKHJ-UHFFFAOYSA-N 408.933 4.673 0 40 HJAB CCCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H]3c3cc(C)ccc3C)[nH]n2)c1C 19719292 IOOARIUSKPCYTB-JOCHJYFZSA-N 405.546 4.894 0 40 HJAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@H](C)c1cccc(Br)c1 20030039 XWVYTWCJAUCHSW-CYBMUJFWSA-N 412.349 4.621 0 40 HJAB CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 20453834 CQIFDGRPTMKXLJ-UHFFFAOYSA-N 414.914 4.956 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCc1ccco1 20459243 CAKYMMNIBVMALX-IBGZPJMESA-N 412.873 4.659 0 40 HJAB Cc1nn(-c2ncccn2)c2c1[C@H](c1cccc(OC3CCCC3)c1)SCC(O)=N2 20735468 KPLYQFAPYJWZCV-FQEVSTJZSA-N 421.526 4.716 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 20765635 OVGWMOYOYTVVBI-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB C[C@H](N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1nc2ccccc2c(=O)[nH]1 23908317 BKTBVAMVIJFEDD-BTYIYWSLSA-N 421.447 4.965 0 40 HJAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Cn2cc(Cl)cn2)o1 28225384 GBNPEXWHDIAVMF-UHFFFAOYSA-N 405.841 4.661 0 40 HJAB Cc1ccc2oc(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)N3CCOCC3)c(C)c2c1 28291651 ZWBSJFWEGXCOCS-QHCPKHFHSA-N 420.553 4.976 0 40 HJAB CC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(-c4ccccc4)s3)CC2)s1 30450324 JFBZRHBXXDANJQ-UHFFFAOYSA-N 410.564 4.637 0 40 HJAB COc1ccc(Br)cc1CN(C)C(=O)c1occc1-c1ccccc1 30917452 VNEZGMNUYRMWSP-UHFFFAOYSA-N 400.272 4.990 0 40 HJAB CC[C@@H](C)N(Cc1ccccc1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 32678984 UVORJUJWQACHSZ-IBUXMESJSA-N 404.554 4.766 0 40 HJAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1ccc(-c2ccccc2)cc1 32753867 UWHHXEOJSCJBFE-GOSISDBHSA-N 407.535 4.519 0 40 HJAB CCOc1ccc([C@@H](NC(=O)c2cc(=O)c3ccccc3o2)C(C)C)cc1OCC 33239312 IKYMSUQYGHIXMX-QHCPKHFHSA-N 409.482 4.718 0 40 HJAB O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCO2 38667829 GLOTUHVKZBVMGO-UHFFFAOYSA-N 401.875 4.556 0 40 HJAB Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3C)n3c2nc2ccccc23)cc1 40372443 JBZVQVZCZMUJQT-HSZRJFAPSA-N 424.504 4.770 0 40 HJAB COc1cc(Cl)c(C)cc1Nc1c(C(=O)N2CCCC2)cnc2nc(C)ccc12 49004623 OJNRYUKCNLVQID-UHFFFAOYSA-N 410.905 4.888 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)N1CCC(COCc2ccccc2)CC1 49028705 MUKPQKFCTGPJGF-UHFFFAOYSA-N 408.325 4.828 0 40 HJAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2)cc1 57487385 UWQINBBBXZFQII-UHFFFAOYSA-N 421.547 4.795 0 40 HJAB CCCc1nc(C(C)(C)NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)no1 65407578 XNOQAZZQGFIYNI-UHFFFAOYSA-N 404.923 4.773 0 40 HJAB O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1cccc(Cl)c1F 67298143 SBJOVMMJYVTDJL-NKFKGCMQSA-N 415.833 4.872 0 40 HJAB CCOc1cc(C(=O)OC)cc(NC(=S)Nc2cc(C)ccc2F)c1OCC 71325944 ZMKSWRMAZKDRHF-UHFFFAOYSA-N 406.479 4.527 0 40 HJAB CCN(C(=O)CN1C(=O)C(c2ccccc2)=NC12CCC(C)CC2)c1cccc(C)c1 71327856 NUQISSYOBDYDOG-UHFFFAOYSA-N 417.553 4.586 0 40 HJAB COc1ccccc1NC(=O)CSc1ncnc2c(-c3cccc(C)c3)c[nH]c12 71328134 GZQABRMSCOFDAZ-UHFFFAOYSA-N 404.495 4.673 0 40 HJAB CCS[C@@H]1CC[C@H](NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 72303479 QGFNZSOHVYRCAT-RBUKOAKNSA-N 415.555 4.687 0 40 HJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)CCc2ccc(F)cc2)n1 72354936 MRIQQRQSFBJDMW-HXUWFJFHSA-N 424.907 4.815 0 40 HJAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCCc1csc(-c2ccccc2)n1 95409570 ZUWUPOBYAJZEJG-ZDUSSCGKSA-N 404.894 4.729 0 40 HJAB Cc1c(C(=O)N(C)c2ccc3oc(C(C)C)nc3c2)nnn1-c1ccccc1Cl 95465475 NRECUCXSJBLBQS-UHFFFAOYSA-N 409.877 4.770 0 40 HJAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3ccccn3)CC2)n1 100739090 FVWOABZOMDAMQN-PUZFROQSSA-N 415.541 4.761 0 40 HJAB COc1ccc([C@H]2CC3=Nc4nonc4N[C@H](c4cccc(F)c4F)C3=C(O)C2)cc1 102735696 OPGRRHOGBQABHO-FKIZINRSSA-N 424.407 4.985 0 40 HJAB COc1cccc([C@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c1OC 102740694 LKOILKYLAUZILG-ADLMAVQZSA-N 424.482 4.777 0 40 HJAB Fc1ccc(Cl)cc1-c1nnc2sc(-c3csc(Br)n3)nn12 107602394 AIFLHKQXXPYYLS-UHFFFAOYSA-N 416.688 4.531 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 223403039 UYAVTTJRDZCZPC-FQEVSTJZSA-N 418.940 4.744 0 40 HJAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223537818 HGMWNYOLMBXSAA-PGRDOPGGSA-N 414.977 4.995 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 223817870 YDBXNIBHDSIBEM-NRFANRHFSA-N 418.940 4.745 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1 223941477 PYZOYZGJIASGSO-HSZRJFAPSA-N 420.534 4.603 0 40 HJAB S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(Sc2ncccn2)nc1 223974742 IYHQVIUMXVPRAS-UHFFFAOYSA-N 421.595 4.821 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 224173575 GXXLDQJPGDHRGN-DEOSSOPVSA-N 408.586 4.995 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 224842516 YWRYXEFXZXHBFP-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB CCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225389061 NJTUKLYKMPVZTP-HSZRJFAPSA-N 410.533 4.625 0 40 HJAB Cc1cc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)ccc1N1CCCC1=O 225578826 LRVCEWWCBYTOMI-GOSISDBHSA-N 409.555 4.711 0 40 HJAB CC(C)(C)c1ccc(COc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 245226286 OWYZSHZFJJDXCL-ZRGHVXQMSA-N 401.506 4.875 0 40 HJAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)NC[C@H]4CCCOC4)CCOCC3)cc2)c1 257301401 RYHOXOJASJIJFG-HSZRJFAPSA-N 421.581 4.853 0 40 HJAB CCCOc1ccccc1-c1ccc(C(=O)N(C)CCO)c(CCc2ccccc2)c1 257318204 VMYBXJFZUPKMFY-UHFFFAOYSA-N 417.549 4.992 0 40 HJAB Cc1cccc2nc(C(=O)N3CCC[C@H]3c3ncc(Cc4ccc(Cl)cc4)o3)cn12 257333761 YCXYWRMFXWXWQV-FQEVSTJZSA-N 420.900 4.852 0 40 HJAB Cc1ccc(CNC(=S)Nc2nc(N3CCCC[C@H]3C)cc(C(F)(F)F)n2)cc1 260710291 GNLWMADJOVPVKZ-CQSZACIVSA-N 423.508 4.669 0 40 HJAB CCOc1ccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccc(OC)cc2)cc1 408628303 WHCKDBAVFUGGHG-UHFFFAOYSA-N 411.523 4.798 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC[C@H](C)C[C@H]2C1=O 408671854 LRNDWIYNZVSONC-YSVLISHTSA-N 410.901 4.826 0 40 HJAB CCOC(=O)N[C@@H](CC(=O)Nc1c(C)cc(Br)cc1C)c1ccccc1 408979684 OAEGXBNKJFPIDZ-KRWDZBQOSA-N 419.319 4.882 0 40 HJAB O=C1N/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N1Cc1ccccc1F 409076343 AUXIGMLUHUPGHM-FYJGNVAPSA-N 420.415 4.637 0 40 HJAB CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2c(C)cccc2CC)cc1 409104893 KSVLZBBXSLDBEL-UHFFFAOYSA-N 410.543 4.576 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C 715689 BWXPJNOKMARMAT-UHFFFAOYSA-N 412.511 4.648 0 40 HJAB Cc1cc(C)c2cc(CN(C[C@H]3CCCO3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 874812 VHGZSVPLOONRDV-HXUWFJFHSA-N 421.566 4.523 0 40 HJAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)CC1 1263782 PIJBNQPMXQGTDS-VGOFMYFVSA-N 419.569 4.767 0 40 HJAB O=C(CCCCCNC(=O)c1ccccc1)NC(c1ccccc1)c1ccccc1 2276431 CYWXUHXVFKHQJP-UHFFFAOYSA-N 400.522 4.883 0 40 HJAB c1coc(-c2nc3sc4c(NC[C@H]5CCCO5)ncnc4c3c3c2CCCC3)c1 2282846 HMSPLHJLDJASAW-CYBMUJFWSA-N 406.511 4.969 0 40 HJAB CCOC(=O)[C@H]1CCCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)C1 3350192 IEROZIFUPDBBCF-AWEZNQCLSA-N 401.919 4.791 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)N[C@H]3CCCc4ccccc43)s2)cc1 3469742 GMTVFJPHGZFZFG-SFHVURJKSA-N 410.568 4.876 0 40 HJAB CCc1cccc(C)c1-n1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SC 4059408 FQBSNASNPGBBCD-UHFFFAOYSA-N 424.614 4.693 0 40 HJAB Cc1cccc(-c2nc(C)c(CCNS(=O)(=O)c3c(C)cc(C)cc3C)s2)c1 4392388 PZCALTYQSTVLOJ-UHFFFAOYSA-N 414.596 4.873 0 40 HJAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)NCC1CCCCC1 4596937 JFNRMGRGKJCZDK-AWEZNQCLSA-N 402.539 4.596 0 40 HJAB COc1ccc(OC)c([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(C)c(C)c2)c1 5256356 RAYINTOXCUUOJM-HSZRJFAPSA-N 405.498 4.759 0 40 HJAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1cccs1 5627242 LJJDJUOAWRMBJG-UHFFFAOYSA-N 405.932 4.882 0 40 HJAB Nc1nnc(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)s1 5636798 ONEKGMCDLONYDJ-ZDUSSCGKSA-N 410.446 4.611 0 40 HJAB C[C@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)NCc1ccco1 6364795 MXVLPAHLNUPRMK-LBPRGKRZSA-N 413.499 4.887 0 40 HJAB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cc(Br)cs1 6476048 QHKUIOJLTGBTDI-SRZZPIQSSA-N 410.296 4.770 0 40 HJAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cc3ccccc3o2)cc1 6630394 XKDQIVRJESSAMU-UHFFFAOYSA-N 400.434 4.852 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CN(C)Cc1csc(-c2ccc(C)cc2)n1 8092840 ORHIZCCGTVPIMV-UHFFFAOYSA-N 415.946 4.851 0 40 HJAB COc1ccc(CNC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)cc1 8854328 YQRXNZZPQFHLQM-UHFFFAOYSA-N 418.971 4.956 0 40 HJAB O=c1/c(=C/c2ccc(OCc3ccccc3Cl)cc2)sc2nc3ccccc3n12 9190968 DBCWZDSPNFPPDI-BKUYFWCQSA-N 418.905 4.689 0 40 HJAB CCCCNc1nnc(SCc2nc3scc(-c4ccco4)c3c(=O)[nH]2)s1 9754645 XVQWVCNFALPILQ-UHFFFAOYSA-N 419.557 4.600 0 40 HJAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(C(F)(F)F)c1 11265261 RCEQYAFJVSEKSY-UHFFFAOYSA-N 408.401 4.618 0 40 HJAB COc1ccc(NC(C)=O)cc1NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C 11659017 PENMIFDCXWKBPV-UHFFFAOYSA-N 415.902 4.991 0 40 HJAB COc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 11694434 ANMZQOHSMYJGBX-UHFFFAOYSA-N 417.440 4.851 0 40 HJAB O=C(COC(=O)c1cccc(-n2cccc2)c1)N[C@@H](Cc1ccccc1)c1ccccc1 12568406 BHGJYMFLRPLPCK-VWLOTQADSA-N 424.500 4.734 0 40 HJAB Cc1cc(NC(=O)CN[C@@H](c2ccc(F)cc2)c2cccs2)n(-c2ccccc2)n1 12796051 RYSXJEYLVAPLNE-QHCPKHFHSA-N 420.513 4.699 0 40 HJAB CC(=O)N1CCN(c2nc(-c3cccs3)nc3scc(-c4ccccc4)c23)CC1 13134890 IPJRSQFRRVAIDJ-UHFFFAOYSA-N 420.563 4.755 0 40 HJAB CCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2OC)cc1 15352421 BJJJTCPGSOKDQO-UHFFFAOYSA-N 424.522 4.619 0 40 HJAB Cc1cc(C)c2oc(C(=O)N(Cc3ccc(F)cc3)c3ccccn3)cc(=O)c2c1 15669871 DHBJGQHXYKBVCK-UHFFFAOYSA-N 402.425 4.791 0 40 HJAB COc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1Cc1ccccc1 16274508 HFWCVZAOSQPSAO-UHFFFAOYSA-N 414.505 4.661 0 40 HJAB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 16408584 JHWDJPBNVWYRQN-KPKJPENVSA-N 421.678 4.665 0 40 HJAB Cc1cccc(NC(=O)CCc2csc(NC(=O)NC3CCCCC3)n2)c1C 16978805 FTLZZTLZWSKTMB-UHFFFAOYSA-N 400.548 4.785 0 40 HJAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2F)c1 17248524 KBSSYFVVWBLYSM-UHFFFAOYSA-N 408.458 4.622 0 40 HJAB Cc1ccccc1-n1c(/C=C2\C(=O)N(C(C)C)c3ccccc32)nc2ccccc2c1=O 18207500 YZPZEMOKLRMIHY-PGMHBOJBSA-N 421.500 4.990 0 40 HJAB COc1cccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c1OC 19565064 HBTJLUIHIQXSQQ-UHFFFAOYSA-N 417.456 4.866 0 40 HJAB O=C(Nc1cccc(-n2cccn2)c1)c1ccc(Cl)c(NCc2ccccn2)c1 19714935 JOEAUCQVNCTXJZ-UHFFFAOYSA-N 403.873 4.785 0 40 HJAB CC(C)NC(=O)c1cc([C@H]2CCN(C(=O)CCC3CCCC3)C2)nc2ccccc12 19761781 PLIHVVFHPWGZPB-IBGZPJMESA-N 407.558 4.659 0 40 HJAB CCOc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19809047 HZBSTKQZRLGIDI-UHFFFAOYSA-N 400.522 4.633 0 40 HJAB CCC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CC=C(c2ccc(F)cc2)CC1 20098393 HFGUZPUSTSLYOX-HXUWFJFHSA-N 411.550 4.898 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c(C)c1 20482515 DTDSISRSDBHREU-IBGZPJMESA-N 422.550 4.904 0 40 HJAB Cn1ncc2c(SCc3nc4cc(Cl)ccc4n3Cc3ccccc3)ncnc21 25593988 CBEVHFRLMWBJKU-UHFFFAOYSA-N 420.929 4.707 0 40 HJAB CCc1ccccc1NC(=O)CN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 26457773 MFZUPAPNXDOZHY-IBGZPJMESA-N 420.340 4.597 0 40 HJAB O=C(NCc1cnn(-c2ccccc2)c1)N[C@H](c1ccc(F)cc1)c1cccs1 32795357 MFVMWKZUTCHJOK-OAQYLSRUSA-N 406.486 4.662 0 40 HJAB Cc1cccc(C(=O)Nc2nnc(SCc3cc(=O)c4cc(C)ccc4[nH]3)s2)c1 33063902 RYLZFKQIICPHMU-UHFFFAOYSA-N 422.535 4.541 0 40 HJAB Cc1ccc(-c2nc(N3CCOCC3)sc2C(=O)Nc2cc(C)cc(C)c2)cc1 36293436 CTGAGFPEVKQGLB-UHFFFAOYSA-N 407.539 4.824 0 40 HJAB CCCc1nnsc1C(=O)Nc1nc2ccc3nc(SC)sc3c2s1 36709437 HNXKOZNAEODTCX-UHFFFAOYSA-N 407.571 4.684 0 40 HJAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 50037723 RUYKWNYEIZVJCA-FQEVSTJZSA-N 418.459 4.952 0 40 HJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(F)cc3Cl)n2)cc1 57486833 FKKZSHRAUWVXBF-UHFFFAOYSA-N 410.836 4.945 0 40 HJAB CC(=O)c1ccc(N2CCN(Cc3csc(-c4ccc(Cl)cc4)n3)CC2)cc1 58165217 RUZSMTHDVKMROZ-UHFFFAOYSA-N 411.958 4.988 0 40 HJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1[nH]nc(C2CC2)c1Br 71844371 GBZNRRJITPGESL-HOTGVXAUSA-N 402.336 4.848 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3nc2N2CCCC2)c(Cl)c1 72273503 KBDYABTVJBGDOI-UHFFFAOYSA-N 408.889 4.699 0 40 HJAB CC1=C[C@@H](CNS(=O)(=O)C(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 72320850 MIVIYWITWWGLSN-UFYCRDLUSA-N 417.619 4.596 0 40 HJAB biogenic,in-vitro COc1cccc(CN2CC=CC[C@@H](C3CCN(Cc4ccc(F)cc4)CC3)C2=O)c1 72371052 LNMVFAZDEVWPQE-VWLOTQADSA-N 422.544 4.651 0 40 HJAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cc2ccccc2n1Cc1ccccc1 79188386 RECRTMMMTVTQFB-XZOQPEGZSA-N 401.554 4.684 0 40 HJAB biogenic COc1ccc2c(c1)c(C(=O)NC1(c3noc(C)n3)CCCC1)c(C)n2C1CCCC1 84026940 LQBFVOJULICQNN-UHFFFAOYSA-N 422.529 4.964 0 40 HJAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 95350584 OOJVYNZDMWIELO-SFHVURJKSA-N 423.557 4.700 0 40 HJAB O=C(O)C/C(=C/c1ccc(O)c(F)c1)c1nc2cc(Br)ccc2s1 95974990 NIZMLJIWDMLNSZ-YHYXMXQVSA-N 408.248 4.919 0 40 HJAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccccc2Cc2nc(-c3ccco3)no2)cc1 96119718 VUWYQQXFDOOJTB-WYMLVPIESA-N 421.478 4.641 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c(C)c1 98072925 PTXYNQPCTZBZNP-UHFFFAOYSA-N 408.239 4.886 0 40 HJAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc(Cl)cc1 101147839 XXXJSYIFOAVBLI-KDOFPFPSSA-N 423.694 4.881 0 40 HJAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118927915 BNXKKGNFJUFIND-NUYHECPUSA-N 404.591 4.775 0 40 HJAB CC(=O)O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@H](OC(C)=O)C1 118928052 YXLMKYPZOPOZEL-OGWZGQQJSA-N 416.558 4.628 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NC(C)C)cc1 222403233 SNYMHWLDBFSQQB-XMMPIXPASA-N 408.586 4.822 0 40 HJAB CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222626360 JCASXQISTDQUOH-WQTXXOFMSA-N 404.539 4.860 0 40 HJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Br)ccc3OC)N21 222669042 AMINKMHMRLYVKD-MORSLUCNSA-N 418.360 4.832 0 40 HJAB O=C(NCCOc1cccc2ccccc12)C1CCN(Cc2ccccc2Cl)CC1 223554940 MFQYVBBAYUSGSM-UHFFFAOYSA-N 422.956 4.900 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1-n1ccnc1C 223740277 ZPVMOWIHLHPIDK-DEOSSOPVSA-N 403.526 4.533 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 225041521 URIQIKGQBFDOAG-RBBKRZOGSA-N 424.585 4.631 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 225120761 WPYWLBIYBIPOKT-SFTDATJTSA-N 424.585 4.829 0 40 HJAB CCOc1ccc(CCCNC(=S)Nc2ccc(Br)cc2F)cc1 225622588 DANMIGMGFUWMBT-UHFFFAOYSA-N 411.340 4.906 0 40 HJAB Cc1cc(C)nc(Nc2ccccc2C(=O)N2CCc3cc(Br)ccc32)n1 225915994 NYXHWHVIDVUKFW-UHFFFAOYSA-N 423.314 4.802 0 40 HJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)O)c3)o2)S1 260772287 NGJCAHJBVGQSGX-CAYVGHNUSA-N 405.479 4.629 0 40 HJAB CC1=Nc2ccccc2/C1=C/C=C1/Sc2ccccc2N1CCCS(=O)(=O)O 334157187 WAHAEPAEUPBHCX-HQGSEVQBSA-N 412.536 4.908 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)Nc4cccc(Cl)c4C)cc3)C(=O)[C@H]21 408672149 LYBQVOZLKIYWRX-AXNOTKAXSA-N 420.896 4.602 0 40 HJAB CCOc1ccccc1NC(=O)C(=O)c1c(-c2ccc(OC)cc2)cc2ccccn12 408679997 XMWCXCJNLHFEJR-UHFFFAOYSA-N 414.461 4.835 0 40 HJAB O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccc(-n2cnc3ccccc32)cc1 524187084 VRSZXPKREDOWHM-UHFFFAOYSA-N 414.856 4.716 0 40 HJAB CCOC(=O)c1sc2ncnc(SCC(=O)Nc3ccc(C)cc3C)c2c1C 1889085103 RVROZQDIHUJQHU-UHFFFAOYSA-N 415.540 4.524 0 40 HJAB O=C(NCc1cccs1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 865672 SQOWGZOEORXAOR-GDBMZVCRSA-N 406.433 4.535 0 40 HJAB CCOc1cc(NC(=O)C(F)(F)F)c(OCC)cc1NC(=O)c1ccccc1C 1223673 WAUVBHNBGROEPU-UHFFFAOYSA-N 410.392 4.546 0 40 HJAB Cc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccco2)c1C 1379928 AZKWTMFUMOOERA-QFIPXVFZSA-N 406.482 4.936 0 40 HJAB C[C@H](O)CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 1447711 PTNQJRSQSNRCRH-AWEZNQCLSA-N 423.314 4.643 0 40 HJAB O=C(c1ccccc1Cl)N1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 1458414 LBHKKZAEUWJNLY-NRFANRHFSA-N 424.972 4.674 0 40 HJAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3cc(C)cc(C)c3)[C@@H]21 2094981 QVZFMJZZEOVFGY-HSZRJFAPSA-N 414.461 4.640 0 40 HJAB biogenic Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)c1 2352121 SSDZQZNXIWQCCI-UHFFFAOYSA-N 424.551 4.996 0 40 HJAB CCCCCOC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 2406163 UBMXBDWQUVBNBG-UHFFFAOYSA-N 406.461 4.701 0 40 HJAB O=C(Nc1ncc2c(n1)C[C@@H](c1ccc(Cl)cc1)CC2=O)c1cccc(Cl)c1 2409662 GPLKFZBMJHJZKA-CQSZACIVSA-N 412.276 4.948 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1C 2447993 QAAJUVCKHIOPOX-UHFFFAOYSA-N 408.483 4.527 0 40 HJAB O=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 2777408 LHGVMKHTOBSBEI-UHFFFAOYSA-N 407.034 4.990 0 40 HJAB O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1ncc(Cl)cc1Cl 3260862 ARHHDFYMFCMWHM-UHFFFAOYSA-N 421.305 4.816 0 40 HJAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C(C)C)cc2)N2C(=O)[C@@H](C)SC2=N1 3636563 GQWPDVZXUMZGNF-BEFAXECRSA-N 400.544 4.658 0 40 HJAB CC(C)Cn1c([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21 4033379 CXROERRRNBFSKY-OAHLLOKOSA-N 412.331 4.975 0 40 HJAB Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)c1C 4558301 PXYCJFUXUMOVTF-UHFFFAOYSA-N 401.528 4.826 0 40 HJAB CCCOC(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1N1CCOCC1 4711596 PINNKMYWQWWFNY-UHFFFAOYSA-N 424.541 4.640 0 40 HJAB CCCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)cc1 4816785 LEOMQMKFSSWYCJ-UXHICEINSA-N 410.905 4.808 0 40 HJAB CSCC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 6016729 ODQIMSBYXICHKL-INIZCTEOSA-N 424.353 4.859 0 40 HJAB aggregator Cc1ccc(S(=O)(=O)NC(=O)O[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 6214487 WRIONJCJSPINNC-HXUWFJFHSA-N 415.898 4.853 0 40 HJAB O=C(COc1ccc(NC(=O)c2ccccc2Cl)cc1)NCCCc1ccccc1 6507905 UVYXMLFLVHWCAC-UHFFFAOYSA-N 422.912 4.720 0 40 HJAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)C1=O 6656670 PWIYDDKIVBDQJR-UDWIEESQSA-N 408.479 4.592 0 40 HJAB Cc1ccc(Sc2ccc(N[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)cc2)c(C)c1 7243479 IDTSXPBKPXISDH-KRWDZBQOSA-N 419.550 4.993 0 40 HJAB O=C(Cc1c(F)cccc1Cl)N(C[C@H]1CCCO1)c1nc2ccccc2s1 7670556 ZZFIJNSWDZCHJD-CYBMUJFWSA-N 404.894 4.844 0 40 HJAB O=C(COc1ccc(Br)cc1)N(Cc1cccc(F)c1)Cc1ccco1 8916229 HAXMVXROPDYMLE-UHFFFAOYSA-N 418.262 4.789 0 40 HJAB CCc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3OC)c3ccccn23)cc1 9316676 SITHVFFHJNSTCO-UHFFFAOYSA-N 413.477 4.576 0 40 HJAB CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccco2)cc1 9459193 HNNWXCUGUBXJAC-UHFFFAOYSA-N 402.450 4.675 0 40 HJAB Cc1ccc(NC(=O)N[C@@H](C)c2ccccn2)cc1NC(=O)N[C@H](C)c1ccccn1 9979087 UZVYVWPMAMTIJX-DLBZAZTESA-N 418.501 4.550 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2Cl)c(C)c1 10112562 MQRADDSUEXVCJP-OAHLLOKOSA-N 420.962 4.630 0 40 HJAB Cc1cc(C(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)c(C)n1C1CC1 11424116 SPZWNBRFHAITEM-UHFFFAOYSA-N 413.591 4.578 0 40 HJAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1cccc(C(F)(F)F)c1 11867223 DRWQDCRFPGDCOZ-UHFFFAOYSA-N 403.404 4.614 0 40 HJAB C[C@@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCC[C@@H]1c1cccn1C 12788609 XGOLHSORZMIRMQ-HNAYVOBHSA-N 404.539 4.888 0 40 HJAB COc1ccc([C@@H](C)NCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1F 12993649 VXDIDZVOBMCZFW-OAHLLOKOSA-N 414.477 4.555 0 40 HJAB COc1cc2cc(CNc3ccc(N4C[C@@H](C)C[C@H](C)C4)cc3)c(=O)[nH]c2cc1OC 13563115 DZJRJALLTABBSH-IRXDYDNUSA-N 421.541 4.640 0 40 HJAB Cc1ccccc1-n1nnnc1SCCOC(c1ccccc1)c1ccccc1 14069269 FSULEPROHLMIKQ-UHFFFAOYSA-N 402.523 4.869 0 40 HJAB O=C(Cn1cc(C(=O)COc2ccccc2)c2ccccc21)Nc1ccc(F)cc1 14135904 VPDDGYZOLUBXBR-UHFFFAOYSA-N 402.425 4.681 0 40 HJAB COC(=O)c1ccccc1S(=O)(=O)N(Cc1ccccc1)c1ccccc1Cl 14390486 QOUIYYQNHBDXDP-UHFFFAOYSA-N 415.898 4.522 0 40 HJAB CC1(C)CC(N(Cc2ccncc2)Cc2ccc(N3CCCC3=O)cc2)CC(C)(C)N1 19460997 FXPGHRWTHZZVND-UHFFFAOYSA-N 420.601 4.520 0 40 HJAB CC(=O)Nc1c(C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)[nH]c2ccccc12 19717794 ZEWNBUFVYIZABD-AWEZNQCLSA-N 403.486 4.548 0 40 HJAB COc1ccc(-c2nn3c(=O)cc(COc4ccc(C(C)(C)C)cc4)nc3s2)cc1 20859105 WATOXBXSHXQBDZ-UHFFFAOYSA-N 421.522 4.703 0 40 HJAB Clc1cc(Cl)cc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1 22857461 BJKJZQPFNOVZTG-UHFFFAOYSA-N 407.349 4.903 0 40 HJAB COc1ccccc1[C@@H](CNC(=O)CCc1ccc(-c2ccccc2)o1)N1CCCC1 24830395 YSZYVJDIYYPSTR-HSZRJFAPSA-N 418.537 4.841 0 40 HJAB COc1ccc(CN(C2CC2)S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 26356936 UTLIMSOQOAINJY-UHFFFAOYSA-N 419.852 4.721 0 40 HJAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1ccc(F)cc1F 32578497 LAVCGZMNGWFFJC-UHFFFAOYSA-N 407.376 4.699 0 40 HJAB O=C(Nc1ccc(F)c(F)c1)c1ccccc1OCc1nc(-c2ccccc2)no1 32578530 VZHGKNRMVVHJMY-UHFFFAOYSA-N 407.376 4.846 0 40 HJAB CC(C)C(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2cccc(Br)c2)c1 32795589 NVGFCGHDZRRDRO-AWEZNQCLSA-N 418.335 4.604 0 40 HJAB CN1c2ccc(C(=O)Nc3cccc4ccccc34)cc2-c2ccccc2S1(=O)=O 33088649 USOYZFXBZRVNAM-UHFFFAOYSA-N 414.486 4.898 0 40 HJAB CCN(CC(=O)Nc1cccc2ncccc12)Cc1ccc(Br)s1 37133355 KOHYRMNXDDCUIG-UHFFFAOYSA-N 404.333 4.519 0 40 HJAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c1 40117406 UGRCVTDKGFPNDC-IBGZPJMESA-N 409.910 4.544 0 40 HJAB O=C(CN1CCC[C@@H](COCc2ccccc2)C1)Nc1ccccc1C(F)(F)F 56908443 GTEBYFPFRNCTFQ-GOSISDBHSA-N 406.448 4.573 0 40 HJAB CCN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2ccc(C(C)C)cc2)=N1 57401648 NOOUPIPWEFVLFY-UHFFFAOYSA-N 410.543 4.566 0 40 HJAB COc1ccc(-n2c(SCc3cccc(F)c3)nc3ccccc3c2=O)c(OC)c1 67258904 MVVQJOYMSWEYGY-UHFFFAOYSA-N 422.481 4.834 0 40 HJAB Cc1cccc(Cn2cnc3sc(-c4nc(-c5cccs5)no4)c(C)c3c2=O)c1 67260372 DJJFABDIFZZVHU-UHFFFAOYSA-N 420.519 4.902 0 40 HJAB CCOc1ccc(-c2nc(C(=O)N[C@H](C)c3nc(C4CCCC4)no3)cs2)cc1 72303700 SBZDOBNOANJQCV-CYBMUJFWSA-N 412.515 4.740 0 40 HJAB Cn1cc(CN2CCC[C@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)cn1 72349966 HJYMUBYBIWVZGP-SFHVURJKSA-N 400.448 4.881 0 40 HJAB COC(=O)c1c(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)sc(C)c1C 84061999 IRTKZFGQUOZOQE-UHFFFAOYSA-N 415.540 4.903 0 40 HJAB O=C(COc1nnc(-c2ccccc2)o1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 84569205 AEWOFHFSDOZBRP-QGZVFWFLSA-N 418.280 4.786 0 40 HJAB CCOC(=O)c1noc(NC(=O)c2ccc(C(F)(F)F)cc2)c1-c1ccccc1 103920457 YXOSMNKNFIAFMN-UHFFFAOYSA-N 404.344 4.789 0 40 HJAB CC[C@@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1 222537868 LGCVGPGPIRLFTN-HSZRJFAPSA-N 422.550 4.701 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1ccncc1 222908102 CVCNYHKNGDTGFK-XZOQPEGZSA-N 419.598 4.572 0 40 HJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 222956156 SYDRVNBFUHXUEO-OAQYLSRUSA-N 400.950 4.771 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 222995741 XTDVDXVVIQEWNK-HSZRJFAPSA-N 408.586 4.779 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3C)cc2)cc1 223971910 QKBBSEGUWWCKQN-SFHVURJKSA-N 408.523 4.595 0 40 HJAB Fc1ccc(C2(CNC(=S)Nc3ccc(Br)cn3)CCCC2)cc1 223980605 WEEPCFBDFSKGCG-UHFFFAOYSA-N 408.340 4.782 0 40 HJAB COc1ccc(CN2CCN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1OCc1ccccc1 224086603 ZZVRTZNHXPQCIY-CAOCKLPOSA-N 418.581 4.604 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 224183636 SQOBAYIWYIGIFK-JOCHJYFZSA-N 412.599 4.729 0 40 HJAB CCOC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCCCC1 225709237 HITIMQYROAGYIV-BGYRXZFFSA-N 402.579 4.721 0 40 HJAB CCOc1ccc2c(c1)OC1(CCN(C(=O)Nc3ccc(Cl)cc3)CC1)CC2=O 225820771 LRDCOJVTMFKLLM-UHFFFAOYSA-N 414.889 4.771 0 40 HJAB NC(=O)c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 226364429 BHDIAQBUETVCMR-UHFFFAOYSA-N 419.500 4.543 0 40 HJAB Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Br)cc2Cl)CC1=O 408647855 XQBWFVBKGGYZDU-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 408680391 RRXZPTVAYYZEQP-JOCHJYFZSA-N 424.522 4.592 0 40 HJAB COc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1 408949260 AJBHXOIWAWQPRD-MOSHPQCFSA-N 408.454 4.862 0 40 HJAB C[C@H](NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1)c1ccccc1 409008012 UOMPWBBRGAZPLH-INIZCTEOSA-N 419.506 4.771 0 40 HJAB CCCN1C(=O)/C(=C\c2cc(OCC)c(O)cc2Br)c2ccccc21 409119721 QNJDWXOJXSLZMC-GDNBJRDFSA-N 402.288 4.851 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)Nc1ccccc1 409380742 HIDKTSARZXVALJ-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1cc(Br)cs1 585147870 FCSGRQDNDAUMRT-JTQLQIEISA-N 414.371 4.764 0 40 HJAB C[C@H]1[C@H]2CC[C@H]3[C@H](C[C@@H]4[C@@H]3C[C@H](O)[C@@H]3C[C@H](O)CC[C@]34C)[C@H]2CN2C[C@H](C)CC[C@H]12 1857789198 NEMWYOKGHGSVSC-LLWUCEQZSA-N 415.662 4.563 0 40 HJAB CC(C)(C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 647014 HOXRFAJAFIGRLR-VXGBXAGGSA-N 400.832 4.725 0 40 HJAB COC(=O)c1c(NC(=O)c2ccccc2C)sc(C(=O)Nc2cccc(C)c2)c1C 871294 HKUZUXHPWBOFCZ-UHFFFAOYSA-N 422.506 4.965 0 40 HJAB Cc1nc(SCC(=O)N2c3ccccc3C[C@H]2C)c2c3c(sc2n1)CCCC3 1223146 JBTIPPLEEBVFSU-CYBMUJFWSA-N 409.580 4.948 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ncccc2-c2nc3ccccc3[nH]2)cc1 1352411 GSURPRZVZTVEMZ-OAHLLOKOSA-N 416.506 4.947 0 40 HJAB CCOP(=O)(OCC)c1nc(Cc2ccccc2)oc1NCc1ccccc1 2300330 ZGURJGRWCOLQPF-UHFFFAOYSA-N 400.415 4.769 0 40 HJAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)cc(OC)c1OC 2747113 QKPZMZNRHYBICF-HSZRJFAPSA-N 404.466 4.792 0 40 HJAB COc1ccc([C@]2(CCNCc3ccc(OC)c(OC)c3)CCOC(C)(C)C2)cc1 4026470 PAVGOLAQPWUAGA-RUZDIDTESA-N 413.558 4.719 0 40 HJAB biogenic CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cc1cccs1 4076718 PCMWZQUVHYXVHK-NRFANRHFSA-N 404.601 4.608 0 40 HJAB CCc1cccc(CC)c1NC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 4130146 LVHUCURIRMSPQL-UHFFFAOYSA-N 409.490 4.501 0 40 HJAB Cc1c([C@@H](C)[C@H]2NC[C@@H](C)C[C@H]2O)ccc2c1C[C@H]1[C@@H]2CC=C2C[C@@H](O)CC[C@@]21C 4429988 MALFODICFSIXPO-UPQGLUTDSA-N 409.614 4.595 0 40 HJAB in-vitro CCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(C)cc23)cc1C(C)C 4727235 PFNXEIUHMSKSTO-UHFFFAOYSA-N 414.571 4.828 0 40 HJAB CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc(OC)c(Cl)c2)cs1 5279720 ILNLJUZFQMYYNX-UHFFFAOYSA-N 418.902 4.888 0 40 HJAB Cc1cccc(C)c1/N=c1\scc(-c2cccs2)n1CCCN1CCOCC1 5299009 PHRNXSYTNBGMBL-FCQUAONHSA-N 413.612 4.850 0 40 HJAB CC1=C(CC/C(C)=C\CCC2=CC[C@@H](C3=CC(=O)O[C@@H]3O)O[C@H]2O)C(C)(C)CCC1 5663740 FGJIDQWRRLDGDB-URDHJAOPSA-N 416.558 4.855 0 40 HJAB Cc1cc(C)cc(-n2ccnc(SCC(=O)Nc3cc(Cl)ccc3C)c2=O)c1 6915463 UZFCSPKXLSGCEB-UHFFFAOYSA-N 413.930 4.542 0 40 HJAB CC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 7814763 ONYORJZGRXKDBH-IBGZPJMESA-N 402.479 4.891 0 40 HJAB COc1ccc2cc(CN(C)C(=O)COCc3nc4ccccc4s3)ccc2c1 8360995 XAULYJWTVXRVHC-UHFFFAOYSA-N 406.507 4.633 0 40 HJAB COc1ccc(CN(C)Cc2nc(O)c3c(-c4ccccc4)csc3n2)cc1OC 8692946 KYJGANMMKPHTHR-UHFFFAOYSA-N 421.522 4.713 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1NCc1ccco1 8844616 XTJQIQFNKVSIER-UHFFFAOYSA-N 404.831 4.626 0 40 HJAB CCN1C(=O)c2cc(NS(=O)(=O)c3cc(C)ccc3C)ccc2Oc2ccccc21 8961142 PEZDTFYFRPJMHD-UHFFFAOYSA-N 422.506 4.877 0 40 HJAB COc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)cc1 9071737 PPKBVGOFGIGNBR-UHFFFAOYSA-N 413.477 4.771 0 40 HJAB COc1ccc2c(c1)CCc1cc(C(=O)NC[C@H](c3ccco3)N3CCCC3)sc1-2 9253070 QQPLCLVBAHRFSI-HXUWFJFHSA-N 422.550 4.682 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)c3cccc(C)c3)c3ncnn32)cc1 9289003 JAOXREPSAXXEDK-ZEQRLZLVSA-N 424.504 4.976 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc2sc3ccccc3n12 9545401 YLQCQHMJGDNJFP-UHFFFAOYSA-N 418.931 4.645 0 40 HJAB CN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)[C@@H]1CCCc2ccccc21 9818445 COAFQRHGQHLSFD-GOSISDBHSA-N 424.595 4.970 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c(C)c1 10009636 WIPMSABAOGUGGO-UHFFFAOYSA-N 414.552 4.751 0 40 HJAB COc1ccccc1[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(C)c2)c2ncnn21 10060403 LHPTXKOBYJDALC-PKTZIBPZSA-N 424.504 4.976 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2C)cc1 10361294 OZJZEAHEMLYVBR-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB COc1ccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1F 10482781 IMEGYUNJEQPMNI-UHFFFAOYSA-N 415.468 4.676 0 40 HJAB O=S(=O)(N[C@H](c1cccs1)C1CC1)c1ccc(Br)cc1Cl 10683176 BMAZHALUGDLPDN-AWEZNQCLSA-N 406.754 4.594 0 40 HJAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1)c1cccs1 11150275 ILUMZAJRBDHADF-OAHLLOKOSA-N 403.504 4.525 0 40 HJAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)NCc1ccc(Cl)cc1Cl 11865925 NVZAYSZQRNHLCJ-QGZVFWFLSA-N 409.338 4.946 0 40 HJAB O=S(=O)(c1ccc2ccccc2c1)N1CCn2cccc2[C@@H]1c1ccc(F)c(F)c1 12361499 RJAHLBCQJDKJPB-QHCPKHFHSA-N 424.472 4.713 0 40 HJAB O=C(COc1cc(Cl)ccc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 12519865 MMKAKRGDNLRKTN-UHFFFAOYSA-N 404.297 4.655 0 40 HJAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1cccc(Cl)c1 12691012 KBUVQMFOYWTVQR-UHFFFAOYSA-N 420.296 4.859 0 40 HJAB C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CCCC1)c1ccc2ccccc2c1 13069833 PAFCNNYHQSQOQP-SFHVURJKSA-N 415.537 4.802 0 40 HJAB O=C(COc1cccc2ccccc12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13074285 OZJWVMSWZZXHPH-UHFFFAOYSA-N 414.427 4.586 0 40 HJAB O=C(CSc1ncnc2ccccc12)N1N=C(c2cccs2)C[C@@H]1c1ccco1 13117028 CQKYYQKFQREYIM-QGZVFWFLSA-N 420.519 4.754 0 40 HJAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cc(F)c(F)c(F)c2F)cc1 14117567 BKTZKVZOOVTKGZ-UHFFFAOYSA-N 416.374 4.734 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC 14412547 BMGNCQAARDDEBP-UHFFFAOYSA-N 419.886 4.950 0 40 HJAB Cc1cc(C)c2c(=O)cc(C(=O)NC[C@H](c3ccc(C)o3)N3CCC(C)CC3)oc2c1 15860518 WEZDWBWYWZHIHK-LJQANCHMSA-N 422.525 4.514 0 40 HJAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(F)cc2)CC1 19236861 RLPNGMULMKPSHG-RUZDIDTESA-N 417.528 4.912 0 40 HJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3cccnc3)cc2N1 19451202 JUTOOXQUJUOQCQ-CGTJXYLNSA-N 421.467 4.589 0 40 HJAB O=C(c1cccc2cccnc12)N1CCO[C@@H](c2ccc(-c3ccccc3F)cn2)C1 19692627 IGKYXQANHWMTAA-HSZRJFAPSA-N 413.452 4.650 0 40 HJAB Cc1nccn1Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1 19717169 BBPUYPHXUCEMED-UHFFFAOYSA-N 405.889 4.546 0 40 HJAB Cc1ccc(CCC(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)c(C)s2)cc1 19820129 PRLPWMOCDHLQKG-AWEZNQCLSA-N 421.522 4.718 0 40 HJAB CCCN1C(=O)COc2ccc(-c3csc(NC(=O)CCc4ccccc4)n3)cc21 19820279 WXHGVFXURZUDEE-UHFFFAOYSA-N 421.522 4.517 0 40 HJAB Cc1cc(NC(=O)c2ccc(I)cc2)ccc1Br 20298600 XMFWDLGZBYAITQ-UHFFFAOYSA-N 416.056 4.614 0 40 HJAB Cc1ccc(-c2n[nH]c(SCc3ccc(I)cc3)n2)cc1 20765122 WLHFACQNQBKSGK-UHFFFAOYSA-N 407.280 4.677 0 40 HJAB COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4)ccc3o2)c1 21579528 UVJSAOOGTSJSHY-UHFFFAOYSA-N 403.463 4.630 0 40 HJAB CCc1ccccc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 22273968 WHCCDUQPHMVZIA-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB CCOc1cc(CN(C(=O)c2[nH]c(C)c(C(C)=O)c2C)C2CC2)ccc1OC(F)F 24310085 IEFWBQCSCVVQFJ-UHFFFAOYSA-N 420.456 4.639 0 40 HJAB CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2nc(-c3ccccc3)cs2)cc1 26040246 ZLDYLNUPZFXUFX-HNNXBMFYSA-N 410.564 4.852 0 40 HJAB CCCCOc1ccccc1C(=O)Nc1nc(-c2ccc(OC)c(OC)c2)ns1 27662370 SUTXIKYXKWGCII-UHFFFAOYSA-N 413.499 4.654 0 40 HJAB O=C(c1cc2ccc(Br)cc2[nH]1)N1CCN(c2ccccc2Cl)CC1 32759281 LDHFFMQZOSSHEO-UHFFFAOYSA-N 418.722 4.546 0 40 HJAB CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)Cn2ncc3ccccc3c2=O)cc1 32907330 DIBKFKDNYZFAHA-HXUWFJFHSA-N 408.542 4.550 0 40 HJAB COCCCNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccc(C)cc3)c12 36618352 VIHMRWJRWGFTLI-UHFFFAOYSA-N 407.495 4.693 0 40 HJAB O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 43983567 VSPFQZVZOKPYRF-UHFFFAOYSA-N 407.297 4.634 0 40 HJAB CC(C)CCn1c(SCC(=O)Nc2cc(F)cc(F)c2)nc2ccsc2c1=O 57426074 GJFSVLPMLQOVDW-UHFFFAOYSA-N 423.510 4.513 0 40 HJAB CSc1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)c(C)c3)nc2)c1 62006680 IVUDGPCZORRLSA-UHFFFAOYSA-N 412.536 4.505 0 40 HJAB CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)o1 72313377 KEHGDPAAGLOSGA-UHFFFAOYSA-N 417.490 4.959 0 40 HJAB COc1ccccc1[C@@H](CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OC 96384761 AFARZGKVFWGDRS-MRXNPFEDSA-N 421.337 4.850 0 40 HJAB COc1cccc(-c2cccc(CN3C[C@H]4CCC[C@H](C3)C4(O)c3ccccn3)c2)c1 100149140 LBNDXIJOECADRH-DNQXCXABSA-N 414.549 4.877 0 40 HJAB CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@H](C)C2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 102060651 UVIDMRLTCLAOKX-SVFFBNIWSA-N 411.329 4.989 0 40 HJAB COc1cccc([C@H]2Nc3nonc3N=C3C[C@H](c4ccc(F)cc4)CC(O)=C32)c1 102832935 XKLBJSKLYOXXKU-VBKZILBWSA-N 406.417 4.846 0 40 HJAB Cc1ccc(-c2csc3ncnc(OCC(=O)N[C@H](C)[C@@H]4C[C@@H]5CC[C@@H]4C5)c23)cc1 103126287 FTDWRQXZJBSTKC-RWQQGDIJSA-N 421.566 4.986 0 40 HJAB O=C(NCc1ccc([C@@H](O)c2ccco2)s1)C1c2ccccc2Oc2ccccc21 206684978 WFSJYQCAYWEMTC-QHCPKHFHSA-N 417.486 4.977 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 223410201 UYCRSXYZRYSXLK-QFIPXVFZSA-N 410.901 4.729 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C 223596685 MXZLKPQAKNXFOW-HSZRJFAPSA-N 424.585 4.714 0 40 HJAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)s2)c1 224827583 VYYORAIYDAFYOI-WOJBJXKFSA-N 411.552 4.646 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 225574992 QCWFYLABGXFKFP-OAHLLOKOSA-N 422.953 4.513 0 40 HJAB Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 225581901 GFKATHCBXRPDNF-UHFFFAOYSA-N 422.960 4.708 0 40 HJAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C(=O)OC 225686155 VWCRLDBQEWEQRQ-UHFFFAOYSA-N 401.890 4.976 0 40 HJAB O=S(=O)(N[C@H](c1ccsc1)c1cccs1)c1ccccc1OC(F)(F)F 390831314 RERGWVUHFZFAJM-OAHLLOKOSA-N 419.471 4.776 0 40 HJAB Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1S(=O)(=O)N1CCCCCC1 408560632 ZZSQTWFSMQDGRO-UHFFFAOYSA-N 422.550 4.965 0 40 HJAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(F)cc2)cc1 408699538 XRRYOKORXUPTDR-UHFFFAOYSA-N 420.419 4.864 0 40 HJAB Cc1ccc(OC(=O)c2ccc3nc(N4C(=O)c5ccccc5C4=O)sc3c2)cc1 408976159 PUOFDZWNJGWTJC-UHFFFAOYSA-N 414.442 4.625 0 40 HJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@H]32)c1OC 408994792 JFDPWODHHIQJQK-OIBXWCBGSA-N 401.462 4.873 0 40 HJAB Cc1ccc(CN2C(=O)S/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C2=O)cc1 409107183 QSUQEYDMIRDTFB-MOSHPQCFSA-N 418.474 4.720 0 40 HJAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@@H]3CCCOc4ccccc43)c12 504705738 BOLQXNTXUMHDKO-HXUWFJFHSA-N 412.493 4.587 0 40 HJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1ccccc1N1CCCC1 619566860 NQHTZGUPYOXEBC-UHFFFAOYSA-N 422.960 4.732 0 40 HJAB O=C(NCc1ccccc1Cl)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 3012868 JBLSBWGLXZEMBZ-HOCLYGCPSA-N 424.810 4.720 0 40 HJAB COc1ccc(OCCOC(=O)/C(=C/c2cccc(OC)c2)c2ccccc2)cc1 3294358 YWVMGJGGHKYXID-HKOYGPOVSA-N 404.462 4.867 0 40 HJAB CN1CCC(N(C)C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CC1 4058082 QCAAUEVLUCJMOG-UHFFFAOYSA-N 405.514 4.911 0 40 HJAB COC(=O)c1c(NC(=O)COc2ccc(C(C)(C)C)cc2)sc2c1CCCC2 4657053 MZHRKNHOMYRECM-UHFFFAOYSA-N 401.528 4.729 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)N(C(=O)CC(C)C)c3ncnn32)cc1 4816771 UBRWMZYVDYHFOL-VXKWHMMOSA-N 404.514 4.709 0 40 HJAB CCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(C(C)=O)cc4)csc3n2)cc1 5146994 AJZHJXNMDSCACJ-UHFFFAOYSA-N 419.506 4.845 0 40 HJAB COc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1cccc(C)c1 5223388 SJKSCCRRHXCAPY-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB CCn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1cccs1 5471252 VDBFYSLNZPHIOQ-SFHVURJKSA-N 412.584 4.872 0 40 HJAB Cc1nnc(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)n1-c1ccccc1 6110600 QPIJMSCMYPNRPC-GFCCVEGCSA-N 406.433 4.714 0 40 HJAB Cc1cc(C)c(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)c(C)c1 6681702 DVKOGMIFMSMZJV-UHFFFAOYSA-N 400.525 4.726 0 40 HJAB Cc1nn(-c2ccc(Cl)c(Cl)c2)c(N)c1[C@H]1Sc2ccccc2NC1=O 6784441 YYJFINRNPRQFOD-MRXNPFEDSA-N 405.310 4.855 0 40 HJAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)Nc1ccc(C)cc1 6960810 GWMLEPQEJVNGPE-UHFFFAOYSA-N 412.555 4.573 0 40 HJAB Cn1c(SCc2cn(-c3ccccc3)nc2-c2ccccc2)nnc1C(F)(F)F 7180681 LOMLBHFHIBTMGT-UHFFFAOYSA-N 415.444 4.979 0 40 HJAB Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCCc1ccccc1 8771835 BCMWDXMORHEIIP-UHFFFAOYSA-N 414.918 4.721 0 40 HJAB COc1ccc(CC(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)cc1 8959924 VQHPDVACSFWTKA-UHFFFAOYSA-N 424.541 4.674 0 40 HJAB CCCCn1nc(NS(=O)(=O)c2ccc(Cl)cc2)c2cc3ccccc3nc21 9013462 RQUJDFYUDSDPPL-UHFFFAOYSA-N 414.918 4.839 0 40 HJAB C[C@H]1CSC(N(C(=O)c2ccc3c(c2)NC(=O)CS3)c2ccc(Cl)cc2)=N1 9125659 YFXHHBZIJIMAHC-NSHDSACASA-N 417.943 4.522 0 40 HJAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccc(-c2ccccc2)cc1 9283710 YGNGEDAYFPGHPG-UHFFFAOYSA-N 422.506 4.786 0 40 HJAB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 9669860 OUCGKGZYRDRREY-NSHDSACASA-N 423.325 4.702 0 40 HJAB COc1ccccc1[C@@H]1CC(=O)c2nnc3c(-c4ccccc4)c(C(C)C)nn3c2C1 10156950 CPRKDTVSZUDFRB-KRWDZBQOSA-N 412.493 4.836 0 40 HJAB CC(C)OCCCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2ccccc2c1=O 12859764 MBFHUZADIVGBGS-OAHLLOKOSA-N 416.547 4.571 0 40 HJAB COc1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1Cl 12877050 UFEIHVLKLGPQAX-UHFFFAOYSA-N 422.912 4.993 0 40 HJAB COc1ccc(OCCCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 14582641 MQYBXTVLHQEDLH-UHFFFAOYSA-N 415.540 4.637 0 40 HJAB C[C@H](OC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)C(=O)N1CCCC1 14679514 PYMBXJMTFXWXPX-AWEZNQCLSA-N 406.404 4.617 0 40 HJAB O=C(/C=C/c1ccco1)Nc1ccc2nc(NC(=O)/C=C/c3ccco3)sc2c1 16430071 PVHJWKHDRDCDEB-KZZDLZNXSA-N 405.435 4.786 0 40 HJAB Cc1ccccc1Cc1c(C)nc2nc(SCc3ccc(Cl)cc3)nn2c1O 18029818 ZQZVPGWOTOPEGQ-UHFFFAOYSA-N 410.930 4.983 0 40 HJAB Cc1noc(C)c1CCC(=O)N1CC[C@@H](c2nc(C3CCC3)n3c(C)csc23)C1 19240484 SOIYKHKSMWZCCS-QGZVFWFLSA-N 412.559 4.525 0 40 HJAB C[C@@H]1C[C@@H]1C(=O)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 19462914 JXUSBFUBPTVGAD-UTKZUKDTSA-N 413.525 4.644 0 40 HJAB COc1ccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CCN(C4CCCCC4)C[C@H]23)cc1 19557679 VJIBYBLUQLPELO-TWJOJJKGSA-N 418.581 4.958 0 40 HJAB COc1cccc(CN2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1OC 19574889 DUKYJCGHBONDFU-RPVQJOFSSA-N 424.467 4.545 0 40 HJAB COc1cccc(CN[C@@H](Cc2cc(N(C)C)nc(C3CC3)n2)c2ccccc2)c1 19584271 SHSBWCGWVJZANV-QHCPKHFHSA-N 402.542 4.502 0 40 HJAB COCCc1ncc(CN2CCC[C@@H]2c2cc(Cc3ccccc3C)cc(C)n2)cn1 19691927 OTDIJZRJJPGKRS-RUZDIDTESA-N 416.569 4.605 0 40 HJAB CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCCCC2)CC1 19700271 REXHRRXBVKRVSZ-UHFFFAOYSA-N 418.581 4.831 0 40 HJAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1cnn(Cc2ccccc2F)c1 19719124 SDJZHIZHKSFOLN-UHFFFAOYSA-N 410.836 4.940 0 40 HJAB COc1ccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1OCc1ccccc1 19900066 ZZVRTZNHXPQCIY-PZUNEJSGSA-N 418.581 4.604 0 40 HJAB O[C@@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 20218771 KOVGKDUYQCEDNO-DEOSSOPVSA-N 406.957 4.781 0 40 HJAB Cc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(F)cc2)c1 20449430 YNVOXTTYEFIQJD-MRXNPFEDSA-N 424.497 4.526 0 40 HJAB C[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(F)cc1 20491602 PNYRWQQPRYWRER-IQMFZBJNSA-N 424.497 4.684 0 40 HJAB CCCCOc1c(Cl)cc(C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1OCC 24032945 OIOBOGTWHULXNV-UHFFFAOYSA-N 416.909 4.760 0 40 HJAB Cc1ccc(-n2c(SCC(=O)N3[C@@H](C)CCC[C@H]3C)nnc2-c2ccncc2)cc1 26966519 PGQXZEUVVWEKMU-HDICACEKSA-N 421.570 4.519 0 40 HJAB C[C@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@H]1c1ccccc1 28048115 XEWCVMZHDIPLMD-QMHKHESXSA-N 420.896 4.678 0 40 HJAB CC(C)c1ccc2c(c1)[C@]1(CC(O)=Nc3c1cnn3Cc1ccccc1Cl)C(=O)N2 32100639 JJBBLEPOXFACIW-QHCPKHFHSA-N 420.900 4.938 0 40 HJAB CN(C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)CCCC3)on1)c1ccc(Cl)cc1 32622659 BICLBWDKSNZBFH-QFIPXVFZSA-N 423.944 4.907 0 40 HJAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 33594734 ATYGLDKCNZYMHU-BUHHDHKDSA-N 414.433 4.586 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1OCC 39763683 DTLWROKSKAOXTQ-FQEVSTJZSA-N 424.585 4.882 0 40 HJAB CCCCc1ccc(NC(=O)COc2ccc(I)cc2)cc1 40159237 PUGKXHLHVNQJEE-UHFFFAOYSA-N 409.267 4.651 0 40 HJAB O=C(CCSc1ccccc1)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 43990298 NUJYYLRLUCIOFQ-UHFFFAOYSA-N 422.550 4.584 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(CN2CCCCC2)cc1 44873239 RAKSFANCMJRKQL-UHFFFAOYSA-N 407.341 4.675 0 40 HJAB CCCCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC)cc1 57425059 AWHNHWDFLAIQPW-UHFFFAOYSA-N 401.557 4.551 0 40 HJAB C[C@H]([C@H]1CC[C@@H](C)CN1)[C@H]1[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 70691657 IRRHFODGOMSPEE-DGIAWFMJSA-N 415.662 4.921 0 40 HJAB biogenic CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 96237063 KRUZNWIBWHRQQO-KRWDZBQOSA-N 401.919 4.919 0 40 HJAB COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H]1O[C@@H]2[C@@H](C)[C@H]1C 101933901 RNIZTMIJCBCDBR-IXERHHOTSA-N 414.454 4.515 0 40 HJAB O=CN(CCCC[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1)c1ccccc1 102679335 HSUJEVIVQKZGOF-LIONHTAISA-N 404.554 4.908 0 40 HJAB C[C@H](NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1)[C@H]1C[C@@H]2CC[C@@H]1C2 103100094 QLKRCHVENNKNSU-TVKQPGBESA-N 403.950 4.636 0 40 HJAB CCCC[Sn](CCCC)(CCCC)C1(O)CCN(C)CC1 195776393 KVOJRMXVDXTEML-UHFFFAOYSA-N 404.227 4.831 0 40 HJAB CC(C)C[C@@H](NC(=O)COc1ccc(I)cc1)c1ccccc1 219835389 CVLQQPSJHQPLRJ-GOSISDBHSA-N 423.294 4.574 0 40 HJAB CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220558829 WQLSBXGNHWYZOK-OAQYLSRUSA-N 402.560 4.610 0 40 HJAB Cc1ccc(CN(C(=O)COc2ccccc2C(C)C)[C@H](C)C(=O)NC(C)(C)C)cc1 222781912 FLGOVHIVJYZYDL-HXUWFJFHSA-N 424.585 4.829 0 40 HJAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 223026180 IPBCJRVWJUHGOK-PMACEKPBSA-N 413.930 4.614 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1C1CCCCC1 223089627 LNQAZSACRSGDRL-XZOQPEGZSA-N 417.582 4.632 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 223267212 PLLVGUTVGATOGY-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)c1 224224514 NJUTXZPMHYFONH-XZOQPEGZSA-N 411.534 4.753 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 224593953 ODROVFKQCYNVFG-JOCHJYFZSA-N 412.599 4.667 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)N[C@@H](C)CC)cc1 225124466 ATNAGHLWQQXLFO-LEWJYISDSA-N 408.586 4.822 0 40 HJAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](CC)c3ccc(C)cc3C)ccc21 225733901 ZNEROIDSHBEGON-SFHVURJKSA-N 418.584 4.519 0 40 HJAB CC1(C)CCC[C@]2(C)c3c4c(c(=O)oc(=O)c3=CC[C@H]12)=CC[C@@H]1C(C)(C)CCC[C@]41C 253390522 PQBGHKAAUMZKEQ-SJWRPRNESA-N 422.609 4.536 0 40 HJAB biogenic,in-vitro Cc1cc(Nc2nccs2)cc([C@@H]2CCN(C(=O)COc3c(C)cccc3C)C2)n1 257239546 HPURMOUZYUNYRC-GOSISDBHSA-N 422.554 4.602 0 40 HJAB Cc1ccccc1CN1CCCC[C@H]1c1n[nH]cc1C(=O)N(C)Cc1ccccc1 257298201 RKPPATMXPDPCNO-QHCPKHFHSA-N 402.542 4.718 0 40 HJAB O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)Nc1cccc2ccccc12 408625005 HPMSFYCSUSFAOV-UHFFFAOYSA-N 414.486 4.654 0 40 HJAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1 408625912 GBWODUPCMHWBSK-HNNXBMFYSA-N 401.963 4.775 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 408639622 GCJDZPRCWMRVBP-YOEHRIQHSA-N 415.331 4.560 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(Cl)c2)cc1 408699787 WGATYIURHDHCNU-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB CC(=O)N1CC2=C(C1=O)[C@H](c1ccsc1)c1cn(CCC(C)C)c3cccc(c13)N2 524734643 XUKGJMFNLGPZPU-OAQYLSRUSA-N 419.550 4.949 0 40 HJAB Cc1cccc([C@@H](C)C(=O)N[C@H]2CC[C@H](NC(=O)[C@H](C)c3cccc(C)c3)CC2)c1 532813906 MJLSQQHYKHKXDW-FAYOUJPWSA-N 406.570 4.754 0 40 HJAB Cc1cccc(C(=O)N2CCCCN(C)C(=O)c3ccccc3OC[C@@H]2CC(C)C)c1 643584628 QSTQUFCSVWIVCK-QFIPXVFZSA-N 422.569 4.797 0 40 HJAB CN(C(=O)c1cc(-c2ccc(Cl)cc2)nn1C)c1ccc(Br)cc1F 1116311247 RFIACLNFJSPQBU-UHFFFAOYSA-N 422.685 4.919 0 40 HJAB Cc1cccc2[nH]cc(CCNC(=O)c3cc4c(OC(F)(F)F)cccc4[nH]3)c12 1627068330 BTQCWLSUPBWFNC-UHFFFAOYSA-N 401.388 4.829 0 40 HJAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)Nc2ccccc2C(F)(F)F)nn1 1775975929 QPKQMMAFNMHRKS-YIONKMFJSA-N 421.467 4.994 0 40 HJAB CC1(C)C[C@]2(CCCN2C(=O)c2cnccc2C(F)(F)F)CN1c1cccc(F)c1 2037988420 FSFBYZRZNXUQIV-OAQYLSRUSA-N 421.438 4.903 0 40 HJAB CCc1c2c(nc3sc(C(=O)Nc4ccc(F)cc4)c(N)c13)CC(C)(C)CC2=O 630188 YDANHZYMUXCDQA-UHFFFAOYSA-N 411.502 4.987 0 40 HJAB Cn1c(SCc2ccc(Br)cc2)nc2sc3c(c2c1=O)CCCC3 658330 GQNXBMFBVQPIAE-UHFFFAOYSA-N 421.385 4.929 0 40 HJAB CCOc1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 1012760 RUBUJRQBXBTOOM-CNHKJKLMSA-N 417.870 4.704 0 40 HJAB CC(C)n1c(SCc2cc(=O)oc3cc4c(cc23)CCC4)nc2ccccc2c1=O 3568528 UXZFPIQMZHQAQP-UHFFFAOYSA-N 418.518 4.865 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1NC(=O)[C@@H](C)Oc1ccccc1 4666215 SVQJUIXIDYANDZ-RBUKOAKNSA-N 418.493 4.807 0 40 HJAB Cc1ccc(-c2noc(CN(C(=O)c3cccc(Br)c3)C(C)C)n2)cc1 4958704 UEJBJAZXRPPTKE-UHFFFAOYSA-N 414.303 4.858 0 40 HJAB Clc1ccc(C2=Nc3ccc(Br)cc3C(c3ccncc3)=NN2)cc1 6444795 DBEUTQZGKUMUHP-UHFFFAOYSA-N 411.690 4.931 0 40 HJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)OCc2cc(Cl)cc3c2OCOC3)c1 6881858 RHRKHXVLVLAFHB-UHFFFAOYSA-N 419.861 4.911 0 40 HJAB COc1cc(OC)cc(C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 8108155 NIEWXYRWVJNAHS-UHFFFAOYSA-N 400.327 4.674 0 40 HJAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(COc2ccccc2)cc1 8293058 XEQRQQYPCIYKLU-UHFFFAOYSA-N 408.885 4.630 0 40 HJAB O=C(CSc1ccc2ccccc2n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8447849 UQKMTGRUDIUFFV-FQEVSTJZSA-N 420.534 4.852 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)c1 8810824 IYYYACKEBSVEQH-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB COc1ccc(C(=O)CSc2nnc(C)n2C2CCCCC2)cc1Br 8943061 CNAYMALOCUDVNH-UHFFFAOYSA-N 424.364 4.838 0 40 HJAB Cc1cnc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 8992613 DNHXXLAWXCOOML-UHFFFAOYSA-N 405.523 4.609 0 40 HJAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1C(F)(F)F 9283398 AMEUBCPBIXNJBK-UHFFFAOYSA-N 424.806 4.955 0 40 HJAB O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2nccnc2c1 12420897 WHTMBBUANOKVCP-HXUWFJFHSA-N 402.841 4.868 0 40 HJAB C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1cnc2ccccc2n1 12553608 BQYJOLDIVMCAQN-QGZVFWFLSA-N 407.477 4.802 0 40 HJAB COc1ccc(-c2cc(CNC(=O)c3c(-c4ccccc4Cl)noc3C)no2)cc1 12638239 BVIZTPLOGRPDLN-UHFFFAOYSA-N 423.856 4.897 0 40 HJAB O=C(CCc1nnc(-c2ccsc2)o1)NCc1ccc(-c2ccc(Cl)cc2)o1 12920863 SWPZPYXBYUSBCB-UHFFFAOYSA-N 413.886 4.961 0 40 HJAB COC(=O)c1ccc(C)c(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)c1 12986231 VOVFMZRBAXDHEQ-UHFFFAOYSA-N 410.495 4.686 0 40 HJAB CCc1ccc(OCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1 13631093 LKRBZSKWUKKVJH-UHFFFAOYSA-N 402.494 4.838 0 40 HJAB COc1cccc(OC)c1OCCCN1CCC(c2nc3ccccc3s2)CC1 13691540 UWPMJFGNOXNTKK-UHFFFAOYSA-N 412.555 4.962 0 40 HJAB CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]2ON1c1ccccc1 13757846 ZWVOJGSNYJKDCJ-HWHRFOGPSA-N 406.526 4.890 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)N1CCCCCC1 13945775 FFYZOSBBLVMDJW-VWLOTQADSA-N 415.537 4.814 0 40 HJAB Cc1nn(Cc2cccc(F)c2)c(C)c1NS(=O)(=O)c1ccc(C(C)C)cc1 14231624 IQMZDCDUQISYQS-UHFFFAOYSA-N 401.507 4.612 0 40 HJAB Clc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2cccc(Cl)c2)cc1 16399049 KVMWEYQVKMOILO-UHFFFAOYSA-N 409.280 4.971 0 40 HJAB O=C(CCCCCCCC(=O)OCCC[C@H]1CCCO1)OCCC[C@@H]1CCCO1 17784148 IDUZRQQUVSIVCT-OYRHEFFESA-N 412.567 4.722 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)N2CCC[C@H]2c2nnc(-c3ccsc3)o2)cc1 19084510 SSFLTZDTOKNRGQ-SFHVURJKSA-N 411.527 4.838 0 40 HJAB COc1ccc(C)cc1CC(=O)N1CCCC[C@@H]1c1nc(O)cc(-c2ccsc2)n1 19133044 UZVLWIQUBUAHLO-LJQANCHMSA-N 423.538 4.524 0 40 HJAB CC(C)n1c(CN2CC[C@H](c3cc(COc4ccccc4)[nH]n3)C2)nc2ccccc21 19704710 KNNAHSVSPXTPMT-IBGZPJMESA-N 415.541 4.909 0 40 HJAB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc(Cl)c2)CC1 20412497 PSHDEFZHLGJJIN-UHFFFAOYSA-N 420.340 4.550 0 40 HJAB COc1ccc(OC)c(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 20447915 BXADWXUANWCHJQ-UHFFFAOYSA-N 409.869 4.769 0 40 HJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C)cc4)cc3n2)cc1 20611246 OLBLFQWIJCBGBZ-UHFFFAOYSA-N 400.482 4.617 0 40 HJAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 21966852 ORTQIFHTSSAIJM-UHFFFAOYSA-N 422.868 4.696 0 40 HJAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCc1c(F)cccc1Cl 22474440 JBEOQTCCAYAUKX-UHFFFAOYSA-N 413.946 4.554 0 40 HJAB CCN(C(=O)C1CCN(c2ccc(-c3ccccc3OC)nn2)CC1)C1CCCCC1 22493543 NRGPBBRKJYBZRF-UHFFFAOYSA-N 422.573 4.550 0 40 HJAB C[C@]1(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)CC1(Cl)Cl 22993464 AICZYKGRTISHHF-QGZVFWFLSA-N 413.736 4.847 0 40 HJAB CCN(C(=O)Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O)c1ccccc1 23126785 ZTVOPAYVPQZONG-UHFFFAOYSA-N 423.925 4.832 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc(C)c3cnn(-c4ccc(F)cc4)c23)c1 23137660 FEABGMYPBLAGIV-UHFFFAOYSA-N 421.501 4.611 0 40 HJAB Cc1nc2sccn2c1-c1nnc(SCc2ccc(C(F)(F)F)cc2)n1C 23141439 STHFDKOOWMFQLV-UHFFFAOYSA-N 409.462 4.811 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(C)n(Cc2ccco2)c1C 30546846 IUCHJGDVFMUHBD-UHFFFAOYSA-N 416.525 4.538 0 40 HJAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(-c2ccccc2F)s1 32196963 XUXZQPGSUYNXND-UHFFFAOYSA-N 409.530 4.867 0 40 HJAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nc2ccccc2c(=O)[nH]1 32752745 XGSMMFFCLTZEKP-UHFFFAOYSA-N 414.483 4.746 0 40 HJAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc(Br)ccc1Cl 32983802 ORHWCNLOWJVJKQ-GOSISDBHSA-N 407.739 4.669 0 40 HJAB CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3OC)sc2c1 33000702 NAHDNSVNLYQKGL-UHFFFAOYSA-N 415.540 4.774 0 40 HJAB COc1ccc([C@@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)cc1 36616812 HSYVPMHGBUSYPB-OAHLLOKOSA-N 418.472 4.676 0 40 HJAB O=C(Nc1cccc(Br)c1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 38833932 JZOXUMKJFLECCL-HNNXBMFYSA-N 407.739 4.953 0 40 HJAB O=C(NCCSCc1cccc(Cl)c1)C1CCN(Cc2ccccc2)CC1 39772905 YXWITJUJWDCNIA-UHFFFAOYSA-N 402.991 4.602 0 40 HJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(SCc2cccnc2)cc1 40104333 YFIZUIWAMAAPEM-NRFANRHFSA-N 422.554 4.926 0 40 HJAB CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccco1 45890632 NRGWRCDVJSIESE-UHFFFAOYSA-N 402.086 4.510 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1nc(C(C)(C)C)no1)CC2 48355786 WQGQRYLBEIWWML-FQEVSTJZSA-N 413.543 4.594 0 40 HJAB CCn1c(-c2ccc(OC)cc2)nn(CN2CCc3sccc3[C@@H]2C)c1=S 52583956 MLMQDKQOQROCSM-AWEZNQCLSA-N 400.573 4.748 0 40 HJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccc(F)cc3Cl)n2)cc1 57486893 RSIZSKXKEMPKLM-UHFFFAOYSA-N 424.863 4.622 0 40 HJAB O=C(CSc1ccc(NCc2ccccc2)nn1)Nc1ccc(C(F)(F)F)cc1 64944776 IERILIKTUKYGHI-UHFFFAOYSA-N 418.444 4.838 0 40 HJAB COc1ccc(-n2c(SCc3ccccc3F)nc3ccccc3c2=O)c(OC)c1 67258903 NWEPWNCNSQLPIA-UHFFFAOYSA-N 422.481 4.834 0 40 HJAB O=C1c2ccccc2C(=O)N1CCCSCc1nc2cccc3cccc([nH]1)c32 68732078 RUYYZPVXIANRDE-UHFFFAOYSA-N 401.491 4.636 0 40 HJAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)c(OC)c1OC 71288504 HXJCHNZDWCYJKT-SFHVURJKSA-N 403.504 4.616 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H]1Cc3ccccc31)CC2 72296559 ZJKYVDDBQCZGTP-WMZHIEFXSA-N 405.519 4.579 0 40 HJAB CCCc1ccc(C(=O)N2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)o1 72340827 XPEWZVNQNQNEQP-UHFFFAOYSA-N 420.435 4.622 0 40 HJAB COc1cccc(NC(=O)COc2ccc3occ(C(=O)c4ccccc4)c3c2)c1 96184210 VLEHURPKIBAAJU-UHFFFAOYSA-N 401.418 4.690 0 40 HJAB O=C(NCc1ccco1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344048 OGGPEVFESHSURA-QFIPXVFZSA-N 406.526 4.781 0 40 HJAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c(Cl)c1 98211407 APMUXRPNEFNCQW-UHFFFAOYSA-N 410.836 4.945 0 40 HJAB Cc1cc(C(=O)NC[C@H]2CC[C@H](c3nc(C(C)C)ncc3-c3ccncc3)CC2)on1 100739098 POQZSHPWUSOECS-IZAXUBKRSA-N 419.529 4.662 0 40 HJAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1c1ccc2c(c1)OCO2 102729325 JYVYXUSAHQGRSE-UHFFFAOYSA-N 411.870 4.959 0 40 HJAB Cc1ccc(-c2csc3ncnc(OCC(=O)N[C@@H](C)[C@@H]4C[C@@H]5CC[C@@H]4C5)c23)cc1 103126283 FTDWRQXZJBSTKC-ISARSNTHSA-N 421.566 4.986 0 40 HJAB Cc1cc(Br)cc(Cl)c1OCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 105696490 OOGNZOFNGJOZQA-OSFYFWSMSA-N 400.744 4.731 0 40 HJAB C[C@@H]1CC[C@@H]2[C@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43CO)N2C1 118936394 NMFWDNZLNHRNAT-WQTXETNISA-N 413.646 4.627 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)COc2cc(C)c(Cl)c(C)c2)CC1 218919583 AMIHKWOAHZGWJF-UHFFFAOYSA-N 407.341 4.646 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 222985674 ZDDWVGCCEBVYAI-HNNXBMFYSA-N 421.368 4.868 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 224137087 KQNVKZBZPWKWOV-FQEVSTJZSA-N 418.990 4.684 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1COc1ccccc1 224364833 GHDPAIZFYZXLNC-UHFFFAOYSA-N 405.450 4.703 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 225066109 KBYQEWWYBJCQMH-DEOSSOPVSA-N 424.560 4.933 0 40 HJAB CCn1c(=O)sc2cc(NC(=O)c3ccc(CN4CCC[C@@H](C)C4)cc3)ccc21 225105293 KJCKFEUDLLRYJZ-MRXNPFEDSA-N 409.555 4.567 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@H](C)C1 225715136 GMQQFSBSJNCBED-GBXCKJPGSA-N 402.579 4.721 0 40 HJAB COc1ccc([C@H](C)NC(=O)CCc2nc(-c3cccc4ccccc34)no2)cc1 225830340 VPUGUEQVTBWVOH-INIZCTEOSA-N 401.466 4.708 0 40 HJAB CN(C)C(=O)c1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1 225871398 QTKOXJVFYFPXJB-UHFFFAOYSA-N 401.963 4.798 0 40 HJAB COc1ccc(NC(=O)c2ccc(-c3ccc(C)cc3Br)o2)cc1N 226764350 OPGBXTDKLHOXSG-UHFFFAOYSA-N 401.260 4.861 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 408639619 GCJDZPRCWMRVBP-RHSMWYFYSA-N 415.331 4.560 0 40 HJAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1C 408661680 GVDAVPVWZFHMIU-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(F)cc2)cc1 408696312 ZPBWSZLVLUYJQF-UHFFFAOYSA-N 420.419 4.864 0 40 HJAB CC(C)[C@@H](NC(=O)c1cc(=O)n(C)c2ccccc12)c1nc2ccccc2n1C(C)C 504772150 VBHXPPDWLSVOIV-HSZRJFAPSA-N 416.525 4.596 0 40 HJAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccncc3C(F)(F)F)cc2s1 507767254 QJIYFWCPGDJCKM-UHFFFAOYSA-N 408.405 4.701 0 40 HJAB CC(=O)N1CC2=C(C1=O)[C@@H](c1ccsc1)c1cn(CC(C)C)c3cccc(c13)N2 524732118 YFCDUVDBVUOLNB-FQEVSTJZSA-N 405.523 4.559 0 40 HJAB biogenic Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cn(C)nc1-c1ccccc1 541072037 UPTFBZXVMDKAER-UHFFFAOYSA-N 406.873 4.634 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 646538 QKPDZKMZTWBXRN-LBPRGKRZSA-N 419.428 4.825 0 40 HJAB COc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)cc1 995199 PFBPKIQENRFPRX-AWEZNQCLSA-N 401.528 4.628 0 40 HJAB CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 1087765 BCNQCXMFBBNJKP-CYBMUJFWSA-N 407.297 4.772 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1cccn(Cc2c(Cl)cccc2Cl)c1=O 1391143 NFEZGIKTCAAZLG-UHFFFAOYSA-N 409.219 4.734 0 40 HJAB CCOc1ccc(N2C3=[N+](CCCCC3)[C@H](C)[C@@]2(O)c2ccc(OCC)cc2)cc1 1823492 KHAGOYMERVMYHY-KBMIEXCESA-N 409.550 4.523 0 40 HJAB CCOc1cc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)ccc1OC(=O)CC 2058422 YEZUIWFWFQAVMS-MOSHPQCFSA-N 415.445 4.898 0 40 HJAB Cc1nnc(S[C@H](C)C(=O)c2ccc(Br)cc2)n1Cc1ccccc1 2664957 RIJVUXLJEZTHMY-CYBMUJFWSA-N 416.344 4.761 0 40 HJAB Cc1c(OCc2ccc(F)cc2)c(=O)ccn1-c1ncc(C(F)(F)F)cc1Cl 3128607 SZLONMLATQMYSD-UHFFFAOYSA-N 412.770 4.931 0 40 HJAB COc1ccccc1NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 3247100 GYHYYZUMNXQQKW-UHFFFAOYSA-N 418.474 4.767 0 40 HJAB O=C1c2ccccc2C(=O)N1CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3346838 UASOOHDBSVCDEO-UHFFFAOYSA-N 424.485 4.551 0 40 HJAB CCOc1ccc(-c2nc(NC(=O)c3cc4ccccc4oc3=O)sc2C)cc1 4279320 CSAZQTXLECXHBX-UHFFFAOYSA-N 406.463 4.876 0 40 HJAB Cc1cnc(NC(=O)CSc2nnc3scc(-c4ccc(C)c(C)c4)n23)s1 4967194 KRLDTMZPIDRCES-UHFFFAOYSA-N 415.569 4.570 0 40 HJAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)NCc1cccc(Cl)c1 5185935 SJVGJQBDHWPJCM-UHFFFAOYSA-N 405.885 4.585 0 40 HJAB CCOc1ccc(C(=O)OCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1OCC 5414147 AQRRVTTUADGEHZ-POAQFYNOSA-N 406.519 4.645 0 40 HJAB CCOC(=O)N1N=C(c2ccccc2)O[C@@]2(N3CCCC3)CC[C@@H](C(C)(C)C)C[C@H]12 5496890 VGGJUABZLUJXJR-NMMYMHLASA-N 413.562 4.844 0 40 HJAB CC(C)[C@@H](C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 6049452 NATGEPLGJWFSED-YYAZDPENSA-N 403.950 4.708 0 40 HJAB Cc1cc(I)cnc1NC(=O)c1cccc(Cl)c1Cl 6572497 JUOGBPFATCMQSL-UHFFFAOYSA-N 407.038 4.554 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)sc(C)c1C 6811428 UEPOYFGWGJDSDK-UHFFFAOYSA-N 405.859 4.554 0 40 HJAB CN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1nc2ccccc2s1 7689196 MJAKZWSVCWPCFP-UHFFFAOYSA-N 415.518 4.598 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(Nc3cccc(F)c3)s2)c1C 7826300 LAWZTAQMCVQAST-LBPRGKRZSA-N 418.519 4.932 0 40 HJAB CC(C)[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 8002947 PESJAXPKKIRFBL-DEOSSOPVSA-N 401.510 4.864 0 40 HJAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cccc(CN2CCCC2=O)c1 8327904 CJODZKVVVYCHBU-UHFFFAOYSA-N 418.468 4.670 0 40 HJAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 8374444 HCMBMUHXEHNBAF-UHFFFAOYSA-N 416.399 4.985 0 40 HJAB CCC(=O)Nc1ccc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 8429466 OKAHDJCFTWQBCJ-UHFFFAOYSA-N 420.538 4.527 0 40 HJAB Cc1ccc(C(=O)CSc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)cc1 9242830 JXCNRVRGHYFZIU-UHFFFAOYSA-N 416.955 4.999 0 40 HJAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(SCC(=O)c2ccccc2)s1 9324340 DFGPYWRIRZVLDN-UHFFFAOYSA-N 404.904 4.811 0 40 HJAB CCCSc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4 9362746 GZHIBFKIYSEODH-UHFFFAOYSA-N 424.595 4.729 0 40 HJAB COc1ccc2c(c1)c(C(=O)O[C@H](C)C(=O)Nc1ccccc1F)c(C)n2C1CC1 9469007 RDBWQRYZDDAXOC-CQSZACIVSA-N 410.445 4.616 0 40 HJAB Cc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1NC(=O)c1ccco1 9605739 WKUCYKXJBCTEAT-UHFFFAOYSA-N 401.466 4.615 0 40 HJAB COc1ccc(S(=O)(=O)NCCSCc2ccccc2C)c(Cl)c1Cl 9763316 RPENRHSDBLHXDG-UHFFFAOYSA-N 420.383 4.522 0 40 HJAB O=C(COc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 10964827 CVWICCMBKCSWRZ-UHFFFAOYSA-N 404.344 4.568 0 40 HJAB Cc1ccc(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1C 11667130 YLANQKWBVPCSMI-UHFFFAOYSA-N 403.482 4.597 0 40 HJAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 12881579 GLBCAZHUUSJIAB-UHFFFAOYSA-N 420.896 4.590 0 40 HJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cncc(Br)c1 12908352 DZVFNLPDXVSWCB-UHFFFAOYSA-N 408.708 4.797 0 40 HJAB CC(C)C(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)C1 13007156 ROWSYSJYWNASAV-IBGZPJMESA-N 411.571 4.522 0 40 HJAB CCCCn1c(SCc2nnsc2Cl)nc2sc(C)c(C)c2c1=O 13012013 CHQMZCUDZYJFMN-UHFFFAOYSA-N 400.982 4.672 0 40 HJAB CN1C(=O)CS[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 13115483 NEJIOSMZHAIONS-LJQANCHMSA-N 414.328 4.506 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 13121418 IDPCCKQDLIQGNE-QLFBSQMISA-N 402.539 4.689 0 40 HJAB COc1cc([C@@H]2N(C)c3ccccc3-c3nc4ccccc4n32)cc(OC)c1OC 13714353 GJLDBYOMTSXIKC-XMMPIXPASA-N 401.466 4.726 0 40 HJAB Clc1ccccc1COc1ccc(Br)cc1CNC[C@H]1CCCO1 16449951 CTMVKODOQQDHQS-QGZVFWFLSA-N 410.739 4.950 0 40 HJAB CCOc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1 17307863 MTCJGDCZPMSOIY-UHFFFAOYSA-N 404.495 4.526 0 40 HJAB C[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccc(Cl)cc1Cl 17579050 INJCALNFZOUQRN-WLRWDXFRSA-N 407.322 4.800 0 40 HJAB COc1cc(CN2CCCC[C@@H]2c2nnc(-c3cccs3)o2)cc(OC)c1OC 19549789 XAKXDKWAPJSKCN-OAHLLOKOSA-N 415.515 4.551 0 40 HJAB COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1OCc1ccccc1 19823072 VKCYPBRWTQBKPB-UHFFFAOYSA-N 402.538 4.592 0 40 HJAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)CCC(=O)c1ccc(Cl)cc1 24855133 PAROPQQOPOYKQS-UHFFFAOYSA-N 408.885 4.553 0 40 HJAB S=C(NCc1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 25394022 ZZWCBFIWQOTHCW-UHFFFAOYSA-N 407.608 4.530 0 40 HJAB CC1(C)CC2=NN(c3ccccc3)[P@](=O)(c3ccccc3)C2=C(N2CCOCC2)C1 25514582 IURWHCHBKAPEDT-PMERELPUSA-N 421.481 4.830 0 40 HJAB COc1ccc2cc([C@@H](C)C(=O)N[C@H](c3ccc(F)cc3)c3nccn3C)ccc2c1 32830711 FBUADDGIKLEDFL-WAIKUNEKSA-N 417.484 4.730 0 40 HJAB O=C(Cc1coc(-c2ccccc2)n1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32836724 HQUVWBZGZBXUGA-UHFFFAOYSA-N 404.466 4.584 0 40 HJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 32854636 QYWNHVJNOXIKEG-HNNXBMFYSA-N 412.873 4.577 0 40 HJAB O=C(NCCCc1ccccc1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 35527904 QIYPSNIASSWSJM-UHFFFAOYSA-N 416.525 4.622 0 40 HJAB O=C(O)C/C(=C/c1cc2c(cc1Br)OCO2)c1nc2ccccc2s1 35684977 JULFHGQDVLTXGG-WZUFQYTHSA-N 418.268 4.803 0 40 HJAB Cc1cc(C)cc(NC(=O)c2sccc2S(=O)(=O)N(C)c2cccc(C)c2)c1 38652901 GYMWGOXXLKHPFM-UHFFFAOYSA-N 414.552 4.751 0 40 HJAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)Cc1cccc(Cl)c1Cl 40103815 GZPBUIDCDQWNSB-UHFFFAOYSA-N 421.372 4.718 0 40 HJAB O=S(=O)(c1ccc(N2CCC(c3nc4ccccc4s3)CC2)cc1)C(F)F 43272548 WRZJCDOPSJMUPI-UHFFFAOYSA-N 408.495 4.677 0 40 HJAB Cc1cccc(N2CCN(c3nc4c(-c5ccccc5)csc4c(=O)[nH]3)C[C@@H]2C)c1 44169303 OCPSQZDYNHXNCQ-KRWDZBQOSA-N 416.550 4.675 0 40 HJAB O=C(NC[C@@H]1CCCc2ccccc21)c1cccc(CS(=O)(=O)c2ccccc2)c1 44473483 JNHMZBYHLNBBHA-QFIPXVFZSA-N 419.546 4.510 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2ccccc2C(C)C)nc2ccsc2c1=O 57426303 MKGPIOZZLMRGGC-UHFFFAOYSA-N 415.584 4.968 0 40 HJAB CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cc2cc(OC)c(OC)cc2nc1Cl 58161644 KXJVVTABNNZTBR-MRXNPFEDSA-N 413.861 4.586 0 40 HJAB CCN(CC)C(=O)[C@H](c1ccccc1)N(C)Cc1c(C)nn(-c2ccccc2)c1C 58169943 KSZSJULFRQFJHY-DEOSSOPVSA-N 404.558 4.531 0 40 HJAB Cc1ccc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)Cc2cccs2)cc1 58425232 LSIVAGVNPHMENL-UHFFFAOYSA-N 421.566 4.538 0 40 HJAB Cc1ccc2oc(C(=O)Nc3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cc2c1 72004429 VCFHQEKEBGDXBT-UHFFFAOYSA-N 413.499 4.743 0 40 HJAB O=C(Nc1ccc(C(=O)Nc2ncccc2OCC2CCCCC2)cc1)NC1CC1 95393441 ZCGYSEGOBWIUHU-UHFFFAOYSA-N 408.502 4.577 0 40 HJAB COc1ccc([C@H](C)NCc2cc(Cl)c3c(c2)OCCO3)cc1Br 96971476 PCMWUKQAFAHCAG-NSHDSACASA-N 412.711 4.733 0 40 HJAB CCc1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(Br)c1 218866458 ZFKXPVPHHRQEFM-KRWDZBQOSA-N 418.331 4.809 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cccc(OC(C)C)c2)cc1 222638112 WSTTUNQRDFTMSL-JCMHNJIXSA-N 404.466 4.785 0 40 HJAB CCCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 222926493 JHAKCCJTJBDRQJ-KRWDZBQOSA-N 418.940 4.745 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2nccs2)c1C 222953186 ACFUEOUUYFHHJZ-OALUTQOASA-N 411.600 4.718 0 40 HJAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 223477197 HASRECXBKDPESQ-VWLOTQADSA-N 418.512 4.665 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1Cc1ccncc1 223491386 AIAPOKHUOGAODC-FCHUYYIVSA-N 403.555 4.566 0 40 HJAB Cc1cccc(CN(C(=O)CCSc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 223794249 YFBAQRSTFBVPHF-HXUWFJFHSA-N 424.610 4.953 0 40 HJAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)COc1ccccc1 225035137 HHGMARRHWSUJNY-XMMPIXPASA-N 422.569 4.630 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 225210283 KXRGEWLMMOHUHP-QZTJIDSGSA-N 416.562 4.558 0 40 HJAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCCN3CCCC3)c2)cc1 225434379 JHMHBMHBNWCTDM-UHFFFAOYSA-N 423.626 4.987 0 40 HJAB COc1cccc(N(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c1 225907700 YMWJZKFUKVEKSH-MRXNPFEDSA-N 407.341 4.877 0 40 HJAB Cc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1O 226243601 HYZXSDLJIZUBDD-UHFFFAOYSA-N 421.360 4.887 0 40 HJAB Nc1nnc(/C=C/c2ccc(OCc3cccc(Br)c3)c(Cl)c2)o1 226338813 IRJWAUGMSYWFHW-FNORWQNLSA-N 406.667 4.817 0 40 HJAB O=C1N(Cc2ccc(F)cc2)CC=CCC12CCN(Cc1ccc3[nH]ccc3c1)CC2 257241811 HZRSJBUWBJLRAT-UHFFFAOYSA-N 417.528 4.878 0 40 HJAB CC(C)n1nccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)[C@H]2Cc1ccccc1 257313616 UTJCESUCDICFCU-TYUWDEHNSA-N 420.601 4.553 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 408584672 SUZHSVXNLOFTNJ-UHFFFAOYSA-N 416.587 4.624 0 40 HJAB O=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408706585 BXGRKQFRHCYMSX-HXUWFJFHSA-N 418.924 4.641 0 40 HJAB COc1cccc(NC(=O)c2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)c1 408980090 UOUFSZBEGVFARJ-UHFFFAOYSA-N 409.449 4.881 0 40 HJAB O=C(Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1)N1CCCCCC1 409126133 GXSFXVWNLCFLJM-UHFFFAOYSA-N 420.494 4.505 0 40 HJAB COCCN1C(=O)S/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)C1=O 409199250 AQQVOIHFNYWPNO-WOJGMQOQSA-N 421.877 4.741 0 40 HJAB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1NC(=O)c1ccccc1 409209125 FYDBDWGBWQPQLZ-ZHZULCJRSA-N 417.490 4.730 0 40 HJAB CC(C)c1ccc(-n2nc3cc(Br)c(N)c(Br)c3n2)cc1 575415169 WKZKUBCHOCRXQS-UHFFFAOYSA-N 410.113 4.651 0 40 HJAB O=C(C[C@H](CN1Cc2ccccc2C1=O)c1ccc(Cl)cc1)N1CCCCCC1 1565525061 ZGLFBGJBYGUMHS-HXUWFJFHSA-N 410.945 4.872 0 40 HJAB CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 819300 VBRXAEHZTVKBES-UHFFFAOYSA-N 404.476 4.966 0 40 HJAB Cc1cccc2cc(CN(C(=O)NCc3ccccc3)C3CCCCC3)c(=O)[nH]c12 1378164 GBCSXFGNQSIWGK-UHFFFAOYSA-N 403.526 4.881 0 40 HJAB CC[C@@H](COC(=O)Nc1ccccc1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 2266333 OEOUKJYIXQKSIE-PKOBYXMFSA-N 404.919 4.941 0 40 HJAB COc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc1 2639669 XNGSIAYNQXAHNX-KRWDZBQOSA-N 402.446 4.663 0 40 HJAB COc1ccc(OC)c([C@@H]2c3cccn3CCN2C(=S)Nc2cccc(C)c2)c1 4059447 IIQBXIMPAIVUDQ-JOCHJYFZSA-N 407.539 4.616 0 40 HJAB COc1ccccc1CNC(=O)Cc1c(C)c2c(cc(C)c3c(C)c(C)oc32)oc1=O 4090165 VFONUYMJFOSRHK-UHFFFAOYSA-N 419.477 4.640 0 40 HJAB biogenic O=C(CCCSc1nnnn1-c1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 4525418 GALQKSXXKYPSKI-UHFFFAOYSA-N 412.518 4.989 0 40 HJAB Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1ccc(F)cc1Cl 4882558 JAVDLAFKBREMLN-UHFFFAOYSA-N 414.889 4.672 0 40 HJAB CC[C@H]1CCCCN1C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 5079488 DSLAVKMUKIELPA-SFHVURJKSA-N 413.901 4.519 0 40 HJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(OC)ccc3OC)ccc21 5126702 BDVADHAVTYSASV-UHFFFAOYSA-N 410.495 4.632 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 5448490 WXYRBARTNXTRNF-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB CCOc1ccc(-c2nnc(S[C@H](C(=O)N3CCCCC3)c3ccccc3)o2)cc1 5561322 ZBPDTLCSOSQEBP-FQEVSTJZSA-N 423.538 4.981 0 40 HJAB COc1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 5712172 ZTLNUHUPYFJNPH-UHFFFAOYSA-N 412.445 4.706 0 40 HJAB Cc1ccc(C)c(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c1 6063265 LZUANALJVWJTHC-UHFFFAOYSA-N 402.317 4.826 0 40 HJAB O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCN(c2ccccc2)CC1 6507666 OLQKNLXOEZRJDY-UHFFFAOYSA-N 400.400 4.928 0 40 HJAB CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 6752782 DFRWDARHSKDZIP-QHCPKHFHSA-N 415.449 4.519 0 40 HJAB O=C(CSc1nnc(COc2ccccc2)o1)Nc1cc(Cl)ccc1Cl 6885422 HJNBJYAOYCJEJZ-UHFFFAOYSA-N 410.282 4.686 0 40 HJAB Cc1noc(C)c1COc1ccc(CC(=O)N2CC=C(c3ccccc3)CC2)cc1 7988203 ANGPOMVBCNMLJW-UHFFFAOYSA-N 402.494 4.729 0 40 HJAB Cn1ccnc1[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(F)cc1 8215987 BAQGGLURQGPFEV-JOCHJYFZSA-N 401.441 4.871 0 40 HJAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21 8959648 PQELCCLVWKMPHD-UHFFFAOYSA-N 400.906 4.683 0 40 HJAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 8961236 JOGQGDBQHBUVCP-UHFFFAOYSA-N 414.870 4.807 0 40 HJAB CCN1C(=O)S/C(=C\c2cn(CCOc3ccccc3OC)c3ccccc23)C1=O 9805853 ZGPGKYJXTDMNRQ-STZFKDTASA-N 422.506 4.785 0 40 HJAB CCc1ccc(NC(=O)[C@@H]2Sc3ccc(C)n3N[C@H]2c2ccc(OC)cc2)cc1 11117532 GPXHILFORWSJLA-FCHUYYIVSA-N 407.539 4.765 0 40 HJAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)o1 12983192 WIQDWFXQZDPGIF-MPGHIAIKSA-N 419.522 4.622 0 40 HJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 13063462 JDLJJQMBFUEMRZ-UHFFFAOYSA-N 413.392 4.772 0 40 HJAB CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1cccc(C)c1 14082086 SNMCEDRLBYMRIE-UHFFFAOYSA-N 409.540 4.614 0 40 HJAB COc1ccc(OCC(=O)N(C)[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 15670864 FDZVQRWWWPSSRY-RUZDIDTESA-N 400.478 4.803 0 40 HJAB COc1ccc(-c2nc(CNC(=O)COc3cc(C)ccc3C(C)C)cs2)cc1 15832751 BELOSROBAGOGCU-UHFFFAOYSA-N 410.539 4.946 0 40 HJAB COc1cccc([C@@H]2CN(C(=O)C3CC3)[C@H]3CCN(Cc4ccccc4Cl)C[C@H]32)c1 19566158 XJXBKMASPNMTQD-FIXSFTCYSA-N 424.972 4.575 0 40 HJAB O=C(c1cnn2c(-c3ccccc3)ccnc12)N(Cc1ccccn1)C1CCCCC1 19716835 NRKRWHWOEXWZAF-UHFFFAOYSA-N 411.509 4.766 0 40 HJAB CC[C@H](Oc1cccc(C)c1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 19932189 OOFUKPVDVVPBFQ-FQEVSTJZSA-N 406.448 4.520 0 40 HJAB Cc1nc(NC(=O)Cc2c(F)cccc2Cl)sc1-c1nccn1C(F)F 22753469 AMTKFUHKUVPHCN-UHFFFAOYSA-N 400.813 4.684 0 40 HJAB COc1ccc([C@H](CNCc2csc(-c3ccc(Cl)cc3)n2)N(C)C)cc1 22816514 LMXSAPUBLJNPOH-FQEVSTJZSA-N 401.963 4.865 0 40 HJAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2OCc2c(C)noc2C)c1 28429778 VPSOCVQDYGPCED-UHFFFAOYSA-N 421.497 4.605 0 40 HJAB Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4cccs4)C3)n2)cc1 32759892 RTCNNWYACAGGBN-INIZCTEOSA-N 411.552 4.671 0 40 HJAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)OCc1ccccc1 32906623 PHHIFHBEILDIMZ-UHFFFAOYSA-N 414.505 4.902 0 40 HJAB Cc1cccc(OCc2nc(-c3ccccc3OCC(=O)Nc3ccccc3)no2)c1 33324951 VVJAWVIMYCLJBE-UHFFFAOYSA-N 415.449 4.642 0 40 HJAB O=C(COc1ccccc1-c1noc(-c2ccccc2Cl)n1)N1CCCCCC1 33325275 AUJCNUGCRFPNDC-UHFFFAOYSA-N 411.889 4.838 0 40 HJAB C[C@H]1CN([C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(Cl)(Cl)Cl)C[C@H](C)O1 33909682 MHYOKXMLWSCKNE-DCGLDWPTSA-N 421.796 4.519 0 40 HJAB O=C(Cc1cccs1)N1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1 38535194 ZYGZRPNCMYMTGD-UHFFFAOYSA-N 407.461 4.598 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 41191194 VVKQNGIKYUFFRR-AWEZNQCLSA-N 414.836 4.651 0 40 HJAB Cc1ccc(-c2nn(CN(C)Cc3csc(Br)c3)c(=S)[nH]2)cc1 57995703 FSUAWIKMTMMCJE-UHFFFAOYSA-N 409.378 4.830 0 40 HJAB COc1ccc(Cn2ncc(C)c2NC(=O)Cc2cccc3ccccc23)cc1OC 58102545 UMGGTLXYZLBAQO-UHFFFAOYSA-N 415.493 4.591 0 40 HJAB COc1ccc([C@H](NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 58158047 DYZQQHXIDHBYBB-BXKMTCNYSA-N 408.929 4.905 0 40 HJAB CCc1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC 64762058 MIJGKWQVUZDDSF-UHFFFAOYSA-N 406.507 4.697 0 40 HJAB CC[C@@H](C)n1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc2cc(C)[nH]c2c1=O 67238698 MGPUZLSMDVLPDO-CYBMUJFWSA-N 418.950 4.697 0 40 HJAB COc1ccc(OC)c([C@@H](C)Nc2ncc(-c3cc(C)no3)c(-c3ccco3)n2)c1 72338432 NOXSAPWKTXFEGW-CQSZACIVSA-N 406.442 4.890 0 40 HJAB Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5cccc(F)c5)cn34)n2)cn1 96038122 AUZWUTUBFSCIRE-UHFFFAOYSA-N 411.440 4.887 0 40 HJAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCC(=O)Nc3cccc4ccccc34)nnc12 100251741 CYLLYYISCWKXSS-HJPURHCSSA-N 404.539 4.931 0 40 HJAB C[C@H](Oc1ccc(Br)cc1Br)C(=O)N1[C@@H](C)CCC[C@@H]1C 102282737 LNYSSRAAGKDGSC-SRVKXCTJSA-N 419.157 4.768 0 40 HJAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4ccccc4C)C3=C(O)C2)cc1OC 102656890 NZCIRJWRJSEJSZ-WAIKUNEKSA-N 416.481 4.669 0 40 HJAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2ccco2)C[C@@H](c2ccccc2)C1 102668258 BWJXPGMHBFROEJ-SJKOYZFVSA-N 400.360 4.955 0 40 HJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)OC(C)=O)[C@@]4(C)CC(=O)[C@@H]32)C1 123201931 YFQHKGUJGTVODY-MHKGIOLZSA-N 418.574 4.708 0 40 HJAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCC[C@H](C)C4)cc3)n2)cc1 219241533 ONUZZISHNZVTER-IBGZPJMESA-N 418.541 4.549 0 40 HJAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222795868 DNGMLLQNJQLVPL-MOPGFXCFSA-N 416.472 4.884 0 40 HJAB Cc1cc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)ccc1Cl 222858490 XYXNJIATWMLHNR-ZDUSSCGKSA-N 420.296 4.778 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1NC(=O)C(C)C 223086321 NVUCZRFOIOTKRC-UHFFFAOYSA-N 422.572 4.591 0 40 HJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 223746630 CAPNJUQZQCGTGL-MSOLQXFVSA-N 401.944 4.982 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 224107644 FRZUANBLQPSBNM-NRFANRHFSA-N 416.565 4.962 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 224151922 UAAZELSZWDUFTE-UHFFFAOYSA-N 400.950 4.808 0 40 HJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)c1 224227064 CKMXNBVPEONVDI-GOTSBHOMSA-N 411.534 4.753 0 40 HJAB COC(=O)c1cc2cc(NC(=O)c3ccc(OC)c(COC(C)C)c3)ccc2s1 224432500 FKFHSOQEWMQLPN-UHFFFAOYSA-N 413.495 4.874 0 40 HJAB COC(=O)c1ccc(C)c(NC(=S)NCCSCc2cccc(Cl)c2)c1 225299429 JNKZFDKOPXXETO-UHFFFAOYSA-N 408.976 4.655 0 40 HJAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225591301 PYLSUKDXRXDOAA-OAHLLOKOSA-N 404.913 4.577 0 40 HJAB Fc1ccccc1-c1noc(-c2cncnc2NCc2ccccc2C(F)(F)F)n1 240178517 YYHPUDCIVNFEBN-UHFFFAOYSA-N 415.350 4.964 0 40 HJAB C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@H]3CN2C1 252461639 NEMWYOKGHGSVSC-PMIGCPTASA-N 415.662 4.563 0 40 HJAB biogenic O=C(O)c1cccc(CN2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)c1 257342790 ZQEBGCCSHPDFNC-LJQANCHMSA-N 410.901 4.997 0 40 HJAB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2ccc(C)c(C)c2)c2ccccc2)cc1 408979025 KVOTXDPDLCIVMV-HSZRJFAPSA-N 422.550 4.660 0 40 HJAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c12 512514110 ITLFXINNYAVNCI-UHFFFAOYSA-N 400.526 4.642 0 40 HJAB O=C(Nc1cccc2cccnc12)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)o1 526052270 NTGBFLOEPTUEON-UHFFFAOYSA-N 412.854 4.566 0 40 HJAB O=S(=O)(c1ccc(Cl)cc1)C1(c2nc([C@@H]3CCCc4ccccc43)no2)CC1 680679666 VVYIURNRQCNETC-GOSISDBHSA-N 414.914 4.654 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 648729 IJLGZIQHFDJSEP-UHFFFAOYSA-N 400.935 4.737 0 40 HJAB COc1cc(C=O)cc(Br)c1OCc1ccccc1Br 717116 ZUEWQKKULVQKID-UHFFFAOYSA-N 400.066 4.612 0 40 HJAB biogenic,in-vitro Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)Cc4ccccc4)cc3n2)cc1 848697 SHZIVJQGJZIELH-UHFFFAOYSA-N 424.426 4.996 0 40 HJAB Cc1cc(NC(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)no1 848743 VTKLHEYKDDUUPI-UHFFFAOYSA-N 421.766 4.617 0 40 HJAB CCn1c(S[C@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1cccnc1 917234 WKVKXPBYHQJETB-OAHLLOKOSA-N 403.511 4.633 0 40 HJAB O=S(=O)(c1ccccc1)c1cnc2cc(-c3ccccc3)nn2c1-c1cccs1 988009 LXRRJDHVGNGBRD-UHFFFAOYSA-N 417.515 4.958 0 40 HJAB COc1ccc(N2C3=[N+](CCCCC3)C[C@]2(O)c2ccc(Cl)c(Cl)c2)cc1 1744517 ZDJLACGBNDDTIR-NRFANRHFSA-N 406.333 4.652 0 40 HJAB CCCNC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F 2088273 BQHRKHFEYMCXRR-OLZOCXBDSA-N 400.832 4.645 0 40 HJAB CCOC(=O)CCc1c(C)c2ccc(OCc3c(F)cccc3Cl)cc2oc1=O 2096344 XOHNUBRHJOIBPH-UHFFFAOYSA-N 418.848 4.969 0 40 HJAB biogenic Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1F 2328909 MTGSGDJTLKRBPG-UHFFFAOYSA-N 414.487 4.683 0 40 HJAB CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@](C)(CC)OC3 2346749 USLDDZLDXSMSOT-OAQYLSRUSA-N 400.569 4.860 0 40 HJAB C[C@@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 2633481 LVNUBVWVUNXFBY-CYBMUJFWSA-N 400.887 4.576 0 40 HJAB C[C@@H](OC(=O)c1cccnc1Cl)C(=O)N(Cc1ccccc1)Cc1ccccc1 3397061 RTSMQPITFNOGSG-QGZVFWFLSA-N 408.885 4.509 0 40 HJAB CC[C@](C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)Cc1cccs1 3625969 IZEXJVNTAJPJDP-JOCHJYFZSA-N 418.628 4.999 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccccc1Br 4194491 AFCDBRRCBBEBPY-UHFFFAOYSA-N 403.257 4.554 0 40 HJAB O=C1CS[C@H](c2ccccc2F)N1c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4269010 QMDYOJBQMYMBHG-IWGLNFRWSA-N 415.559 4.924 0 40 HJAB O=C(c1ccco1)N1CCN(CCCCCCOc2cccc3ccccc23)CC1 4821869 QJUINLJHKUJWGD-UHFFFAOYSA-N 406.526 4.830 0 40 HJAB Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 5156389 KQNRBRFHDRLEGL-FQEVSTJZSA-N 402.837 4.900 0 40 HJAB COc1cccc([C@H]2c3cc4c(cc3O[C@H](Nc3ccccc3)[C@@H]2C)OCO4)c1O 5551026 BEOMZXKHEQYFOO-QQFWFLOESA-N 405.450 4.728 0 40 HJAB COc1cc(/C=C/C(=O)Nc2ccccc2Cc2ccccc2)cc(OC)c1OC 6084240 CKRYXKOIQJPNCV-BUHFOSPRSA-N 403.478 4.955 0 40 HJAB CCc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 8936249 IBMATVPRGQMDRH-UHFFFAOYSA-N 416.525 4.836 0 40 HJAB C[C@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccc(-c2ccccc2)cc1 9253376 RJNYLLRMTMXQLS-SFHVURJKSA-N 402.494 4.676 0 40 HJAB C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1cccc(C(F)(F)F)c1 10224565 VECAZTCGBVRDGW-BBRMVZONSA-N 424.850 4.585 0 40 HJAB Cc1ccc(C)c(OCCSc2nc3ccccc3n2CC(=O)N2CCCCC2)c1 12062287 XGZFVWITAOKTNY-UHFFFAOYSA-N 423.582 4.837 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2ccc(Br)cc2)c1 12761040 ZPWRWNVCWSOMHR-UBIUBJKMSA-N 416.315 4.843 0 40 HJAB O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H](c1ccccc1Cl)N1CCCC1 12803980 SKRKVXRSODDMQO-OAQYLSRUSA-N 423.944 4.881 0 40 HJAB Cc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)cs2)cc1 13000927 YQMVCRWYGSBNPN-UHFFFAOYSA-N 407.539 4.754 0 40 HJAB COc1cccc(-c2csc(N3CCN(C(=S)Nc4cccc(C)c4)CC3)n2)c1 13556108 DUDCSMCZJQVQAG-UHFFFAOYSA-N 424.595 4.646 0 40 HJAB CCc1nn2c3c(nnc2c1-c1ccc(OC)cc1)C(=O)C[C@H](/C=C/c1ccccc1)C3 13610889 QPLDSYNZGYZYRR-QZEKMECESA-N 424.504 4.821 0 40 HJAB COc1ccc(-c2cc(OC(=O)c3ccncc3)c3c(C)oc(C)c3c(=O)c2)cc1 13629027 NHTLZONQSXGXAO-UHFFFAOYSA-N 401.418 4.700 0 40 HJAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714636 YQKWZNSFSPKJNA-LJQANCHMSA-N 422.978 4.648 0 40 HJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)c1C 14126278 OTTVMXWVGZRMCH-UHFFFAOYSA-N 424.570 4.865 0 40 HJAB C[C@H](NC(=O)[C@@H](C)OC(=O)c1cccnc1Sc1ccccc1)c1ccc(F)cc1 15127410 QLAJTAHBLUEALX-JKSUJKDBSA-N 424.497 4.795 0 40 HJAB COc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2cccc(C)c2C)cc1 15413226 PAGGDTNADAPYSB-RUZDIDTESA-N 414.505 4.742 0 40 HJAB CCOCc1ccc(C(=O)N2CCC[C@H]2c2nc(C)ncc2-c2ccncc2C)cc1 19531259 MGOQFAUQCDLATR-QHCPKHFHSA-N 416.525 4.669 0 40 HJAB COc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1-c1ccc(CO)o1 20144243 CUHOGEQABBGKEF-UHFFFAOYSA-N 422.264 4.772 0 40 HJAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(Oc2ccccc2)cc1 21285865 BXXNBQPZOPPITQ-UHFFFAOYSA-N 401.510 4.791 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccc1OC[C@@H]1CCCO1 22192265 FDNVFNSRBAVUMI-KRWDZBQOSA-N 422.506 4.555 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2ccccc2C)cc1 22275167 KFBUSVSVZJKMQQ-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc21 22509555 JRDLDDZOWSVKDV-UHFFFAOYSA-N 417.893 4.764 0 40 HJAB O=S(=O)(CCN1CCc2sccc2[C@H]1c1ccccc1)c1ccc(Cl)cc1 23039903 SQDJMLSBKIWBSL-OAQYLSRUSA-N 417.983 4.823 0 40 HJAB COc1ccc([C@H](CNC(=O)c2cccc(OC)c2)c2c[nH]c3ccccc23)cc1 23573167 AJVSQVXQCTVFFY-QFIPXVFZSA-N 400.478 4.747 0 40 HJAB biogenic Cc1nc(COc2cccc(C(=O)OCc3ccc(-n4cccn4)cc3)c2)cs1 24359764 SYBNQXCTGKPGIW-UHFFFAOYSA-N 405.479 4.573 0 40 HJAB O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCN(c2ccccc2O)CC1 26526362 RGUFQYMERKCTQM-UHFFFAOYSA-N 422.912 4.587 0 40 HJAB CCSc1nc2n(n1)[C@H](c1ccco1)C(C(=O)Nc1cccc(C)c1C)=C(C)N2 28250516 UENBGIJDNIIGKH-GOSISDBHSA-N 409.515 4.528 0 40 HJAB Cc1ccc(Cn2cccc/c2=N\C(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 28973283 CFGGSUBEHLOTBJ-YYDJUVGSSA-N 402.885 4.629 0 40 HJAB CCc1ccc(NC(=O)c2sc3ncn(Cc4ccccc4)c(=O)c3c2C)cc1 35672066 FRIFMYJKYCTJJQ-UHFFFAOYSA-N 403.507 4.629 0 40 HJAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(O)c(-c2nc3cnccc3o2)c1 36357486 JMDSJGZIQUSFNB-UHFFFAOYSA-N 411.870 4.980 0 40 HJAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H]1Cc2ccccc2S1 36394680 PHDZVXXFNZDJMB-GOSISDBHSA-N 423.365 4.888 0 40 HJAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3nc4ccccc4n3C)c12 36616148 MBGKRDLTXUMPHN-UHFFFAOYSA-N 422.492 4.745 0 40 HJAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 39984270 YKKBNSVRSCMYCN-UHFFFAOYSA-N 422.485 4.514 0 40 HJAB Cc1ccc(Cn2ccc3c(cnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)cc1 40397250 UXDXZOLAUAJRBH-UHFFFAOYSA-N 400.869 4.721 0 40 HJAB CCOC(=O)c1c(O)c(NC(=O)c2ccc(Cl)cc2)c2sc3ccccc3n12 41155002 FUFKTWPZBUHMBN-UHFFFAOYSA-N 414.870 4.942 0 40 HJAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 48066057 DJRKKQCHDFUZNU-GPZRYRNASA-N 418.497 4.551 0 40 HJAB Fc1ccc(OCc2noc(CN3Cc4ccccc4[C@H](c4ccccc4)C3)n2)cc1 48280302 ONCJWFFNVVVOIA-QHCPKHFHSA-N 415.468 4.935 0 40 HJAB COCCn1cc(C(=O)N2CCC(CCc3ccc(OC)cc3)CC2)c2ccccc21 48313295 IRMRWZRWHBHHPP-UHFFFAOYSA-N 420.553 4.781 0 40 HJAB CC(=O)Nc1cccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc23)c1 49005312 SWNIRMGAPMFESC-INIZCTEOSA-N 417.513 4.655 0 40 HJAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(Br)o2)cc1 57991745 KIMHEPPASLZVPT-UHFFFAOYSA-N 413.315 4.701 0 40 HJAB COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(N(C)C)cc2)cc1 67259065 VEYMTNLOGSWTLE-UHFFFAOYSA-N 417.534 4.753 0 40 HJAB COc1ccccc1NC(=O)N[C@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1 77200388 LUUNDJUCJKZMJW-IRXDYDNUSA-N 401.438 4.516 0 40 HJAB C[C@H]1CN(Cc2ccccc2)c2ccccc2N(C(=O)CCCNC(=O)C(C)(C)C)C1 84715212 DMZFTYSJNCYSAT-FQEVSTJZSA-N 421.585 4.618 0 40 HJAB Cc1nnc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)s1 95480593 QURRIASVYAUZCP-UHFFFAOYSA-N 411.483 4.504 0 40 HJAB O=C(NCc1cc(Br)ccc1F)c1cccc(OCc2cscn2)c1 95948647 ZOWARJOCEWZODK-UHFFFAOYSA-N 421.291 4.554 0 40 HJAB FC(F)(F)c1ccc(CNC[C@H]2Cn3c(-c4cccc(Cl)c4)cnc3CO2)cc1 96269357 RFVRMFHIXVOSNZ-SFHVURJKSA-N 421.850 4.911 0 40 HJAB biogenic,in-vitro O=C1[C@@H]([C@H](O)c2c(Cl)cccc2Cl)C(C(F)(F)F)=NN1c1ccccc1 100355199 FFQYGZXPGZSGTG-UONOGXRCSA-N 403.187 4.608 0 40 HJAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3cccnc3)CC2)n1 100739088 GAYJDZZEGOKBID-PUZFROQSSA-N 415.541 4.761 0 40 HJAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 101495239 BPUGHZMUSVNPKN-OKZBNKHCSA-N 413.562 4.546 0 40 HJAB COc1cc([C@@H]2C=C(c3ccccc3)Nc3ncnn32)ccc1OCc1ccccc1 101514560 HKFCTZDRZFDJCR-QFIPXVFZSA-N 410.477 4.922 0 40 HJAB Cc1nn(C)c(C)c1/C=C1/C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O 118916010 RPEZSVJLASPKQK-YWMBRACWSA-N 410.602 4.715 0 40 HJAB COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O 214369435 BZGVWMGYSUPWQZ-CXUHLZMHSA-N 422.275 4.833 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccnc1 222909742 MZVGDEFMUGNCLQ-VXKWHMMOSA-N 405.571 4.513 0 40 HJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 223178863 NTHMSZKCEZUFPC-GOSISDBHSA-N 400.950 4.888 0 40 HJAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 223482162 NBHOTAUKLGQSCR-HSZRJFAPSA-N 408.473 4.605 0 40 HJAB CCc1cc(S(=O)(=O)N(C)Cc2cccc(Oc3ccccc3)c2)ccc1OC 223752266 QAUBVNZSOTXWNW-UHFFFAOYSA-N 411.523 4.871 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C 224591494 ONEBWQPPOAEDGI-HSZRJFAPSA-N 424.585 4.570 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 224592006 JHMSKNZPZFWDIJ-QFIPXVFZSA-N 414.977 4.771 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 225050158 UMLJIWIKGZDQSM-SFTDATJTSA-N 424.585 4.829 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 225486515 OHMMIGLPPSBTOM-GCJKJVERSA-N 414.977 4.995 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 225697567 ICZPHIJOVXJGOQ-OAQYLSRUSA-N 416.565 4.757 0 40 HJAB C[C@H](NC(=S)Nc1nc(N2CCCC[C@@H]2C)cc(C(F)(F)F)n1)c1ccccc1 225963531 NZRKTHNEIRDGHJ-KBPBESRZSA-N 423.508 4.922 0 40 HJAB CC1CCN(c2cc(Oc3ccccc3)nc(NC(=S)NC3CCCC3)n2)CC1 226005901 QVLQDXFNFJPFBH-UHFFFAOYSA-N 411.575 4.734 0 40 HJAB Cc1ccccc1COc1c(Cl)cc(CCc2nnc(N)o2)cc1Br 226342478 QJRQBXRBFNOOTA-UHFFFAOYSA-N 422.710 4.740 0 40 HJAB CCCCC[C@]1(O)CCN(CC(=O)Nc2ccccc2CC)C[C@@H]1Oc1ccccc1 257209611 BRCBNFJENGNQQQ-AHWVRZQESA-N 424.585 4.652 0 40 HJAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257233700 GQHVJUCWLKWZGO-IBGZPJMESA-N 406.873 4.772 0 40 HJAB Cc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CCN(C(=O)C3CC3)CC2)c1 257263903 LRYPOWXWDSUBIZ-UHFFFAOYSA-N 418.581 4.748 0 40 HJAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(Cl)cc4F)OCC[C@@]31C2 257329061 XIFLNUBMGKZFKR-NTQHEYMJSA-N 409.929 4.514 0 40 HJAB Cc1cc(C(=O)N2CCN(c3cc(C(F)F)nc4ccc(Cl)cc34)CC2)c(C)o1 561677322 VEFQVQNYKCHHNB-UHFFFAOYSA-N 419.859 4.998 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(Cl)c(Cl)c2)n2ncnc2N1 646440 FQCGWLVNTBSFFZ-SFHVURJKSA-N 414.296 4.821 0 40 HJAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C(N)=O)CCCCCC2 668333 VNPYAIBNSJFNTB-LBPRGKRZSA-N 406.935 4.565 0 40 HJAB Cc1ccc2cc(C)c3nnc(SCC(=O)N4c5ccccc5C[C@H]4C)n3c2c1C 903197 TXLJOFKIIJENKA-MRXNPFEDSA-N 416.550 4.878 0 40 HJAB CCC(=O)Nc1cc(NC(=O)CSc2ncnc3sc(C)c(C)c23)ccc1C 917823 WMRCOXJOFIJXRF-UHFFFAOYSA-N 414.556 4.696 0 40 HJAB CCCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cccnc1 1361274 PAYIJOVWHJOVBI-UHFFFAOYSA-N 403.511 4.634 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(SC)ccc2Cl)c1C 2620175 XCCVOJFEZFAZIF-LBPRGKRZSA-N 423.918 4.612 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)c2cc(C)n(C)c2C)nnc1-c1cccnc1 2622420 RPFWIPCXJMWVCS-UHFFFAOYSA-N 417.538 4.568 0 40 HJAB Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)cc1Cl 3441263 XDLISNZUMLMUPB-KRWDZBQOSA-N 423.738 4.804 0 40 HJAB CC[C@H](C)Sc1nc2c(c(=O)n1-c1ccc(OC(F)(F)F)cc1)SCC2 4358883 HQHKVTKPKWFBMW-JTQLQIEISA-N 402.463 4.670 0 40 HJAB COc1ccc(Cl)c(NC(=O)c2sc3nc(-c4cccnc4)ccc3c2N)c1 4372116 DUZGBEMSNIGWOH-UHFFFAOYSA-N 410.886 4.855 0 40 HJAB CCCCOc1cccc(OCCCC)c1C(=O)NC[C@H]1COc2ccccc2O1 4438302 WOQVOMSCNMBJJV-SFHVURJKSA-N 413.514 4.614 0 40 HJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(C(=O)c2ccccc2)CC1 4545282 FLKDZLRIAAMCEA-UHFFFAOYSA-N 410.823 4.850 0 40 HJAB O=C1Nc2c(C(F)(F)F)cccc2[C@@]12Nc1ccccc1-c1nc3ccccc3n12 4625913 LBGJYVCNBVTCJE-NRFANRHFSA-N 406.367 4.801 0 40 HJAB O=C(NCc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(Br)cc1 4854394 FIDNMPZUGJMUJS-FQEVSTJZSA-N 410.315 4.565 0 40 HJAB Cc1cc(C(=O)CSc2nnc(C)n2Cc2ccccc2)c(C)n1Cc1ccco1 4984940 IUKMOIONGBOSMC-UHFFFAOYSA-N 420.538 4.669 0 40 HJAB O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12)c1ccccc1 5107124 QPSZFRXWBANUKK-UHFFFAOYSA-N 414.417 4.709 0 40 HJAB CCOc1ccc(-c2cn3c(CC(=O)N[C@@H](C)c4ccccc4)csc3n2)cc1 5147029 LYEXZCCDJPBOJX-INIZCTEOSA-N 405.523 4.881 0 40 HJAB Cc1oc2cc(OCC(=O)N[C@H]3CCCC[C@H]3C)ccc2c(=O)c1-c1ccccc1 5497980 RDUQITYXBDNZHB-IERDGZPVSA-N 405.494 4.842 0 40 HJAB C[C@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)N1CCCCC1 6364834 VVJDERHXECVEMM-ZDUSSCGKSA-N 401.532 4.991 0 40 HJAB Fc1ccccc1OCCSc1nnc(-c2ccncc2)n1Cc1ccccc1 6510869 VHGXCNYEYOGFGP-UHFFFAOYSA-N 406.486 4.699 0 40 HJAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C(c1ccccc1)c1ccccc1 6543677 UKTHYQTXJJWLPA-UHFFFAOYSA-N 408.448 4.584 0 40 HJAB O=C(Oc1ccc(Br)cc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7929082 GERYRPNRMZZOQV-HNNXBMFYSA-N 410.267 4.561 0 40 HJAB O=C(CNc1ccc(Cl)cc1F)N1N=C(c2cccs2)C[C@H]1c1ccco1 8192075 OUOHMSCOKDRQQG-INIZCTEOSA-N 403.866 4.923 0 40 HJAB CCOC(=O)c1ccccc1NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C 8611103 UCXNINCQXPVXEI-UHFFFAOYSA-N 423.469 4.939 0 40 HJAB Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCc1ccc(F)cc1 8771790 YCFCQRYWNZLKOR-UHFFFAOYSA-N 418.881 4.818 0 40 HJAB O=c1cc(CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)nc2sccn12 9128113 FETJXCGMFUEFQJ-UHFFFAOYSA-N 424.985 4.678 0 40 HJAB Cc1nc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(F)cc2)sc1C 9592275 MFSHAGSMIDOTOD-GOSISDBHSA-N 424.428 4.894 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)Nc1c2c(nn1-c1ccccc1)CSC2 11667075 OSGDBSLSVVLYEJ-UHFFFAOYSA-N 420.321 4.943 0 40 HJAB CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCc4ccccc4C3)c(O)n2n1 12341915 ILKNPSBKDWVQAQ-LJQANCHMSA-N 424.957 4.860 0 40 HJAB CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](c3ccc(N(C)C)cc3)[C@H]1[C@H]2C 12656671 MATUOSYEEAMWHP-RUSOLKKISA-N 400.563 4.793 0 40 HJAB biogenic CCCCc1noc(CSc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)n1 12737241 BBTAOAGDCOIMAK-UHFFFAOYSA-N 406.939 4.724 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C)c1-c1csc(CC(=O)Nc2ccc(CC)cc2)n1 12816342 FQMDBIHYGAZCSL-UHFFFAOYSA-N 411.527 4.675 0 40 HJAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCCc4ccccc43)o2)cc1 12863346 FPFKBVYBQFBAID-OAHLLOKOSA-N 409.511 4.595 0 40 HJAB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2\C(=O)N(C)c3ccccc32)cs1 13056313 VSWKXMLZKFPRRD-WQRHYEAKSA-N 409.898 4.998 0 40 HJAB CCc1ccc(-c2nc(SCC(=O)NC[C@H]3CCCO3)c(-c3ccccc3)[nH]2)cc1 13365802 SQFDLIHBNQVALY-HXUWFJFHSA-N 421.566 4.693 0 40 HJAB COc1ccc(-c2nnc3sc(COc4ccc5ccccc5c4)nn23)cc1OC 13495730 SGFJBGRNBHPNSI-UHFFFAOYSA-N 418.478 4.602 0 40 HJAB CCC[C@@H](NC(=O)Cn1c(-c2ccc(Cl)cc2)n[nH]c1=S)c1ccccc1 14196939 LFMWLSAUHRAXAJ-QGZVFWFLSA-N 400.935 4.919 0 40 HJAB Cc1oc(-c2ccccc2)nc1COC(=O)c1cccc(I)c1 14730886 ABMDFOUIONLLSO-UHFFFAOYSA-N 419.218 4.612 0 40 HJAB CCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 17316845 ALKMWNYNMHSHIL-IBGZPJMESA-N 423.517 4.765 0 40 HJAB CC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1 17987463 URZCERNAARKDSN-NHCUHLMSSA-N 403.478 4.659 0 40 HJAB COc1cccc(Nc2nnc(SCCC(=O)Nc3ccccc3F)s2)c1 24758653 LMGCZUCWJNTGMA-UHFFFAOYSA-N 404.492 4.550 0 40 HJAB Cc1cc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)c(C)n1Cc1ccccc1 25634926 UDSZLCRWPJBYKI-UHFFFAOYSA-N 416.521 4.746 0 40 HJAB O=C(NCc1ccc(N2CCCC2)nc1)[C@@H](Sc1ccccc1)c1ccccc1 30296790 KUJOQGJZEGJLME-QHCPKHFHSA-N 403.551 4.832 0 40 HJAB Cc1cc(NC(=S)NC(=O)c2ccco2)ccc1NC(=O)c1cc2ccccc2o1 32112090 CEFMOXJVCFDXJV-UHFFFAOYSA-N 419.462 4.713 0 40 HJAB CCOC(=O)N1CCC(NC(=O)/C(=C/c2ccccc2)c2ccc(Cl)cc2)CC1 32907940 DVKJEGSMGRXXSY-LTGZKZEYSA-N 412.917 4.618 0 40 HJAB CCOc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)cc1 36615840 SGANIZVJMHTKOE-UHFFFAOYSA-N 404.445 4.827 0 40 HJAB Cc1cc(F)ccc1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 40710600 JIJRUMUJHWYHLC-QHCPKHFHSA-N 419.452 4.669 0 40 HJAB COc1ccc(-n2c(SCc3ccc(OC)c(F)c3)nc3ccccc3c2=O)cc1 58171447 PGPMEZUQIKYTHU-UHFFFAOYSA-N 422.481 4.834 0 40 HJAB CCC(CC)(NC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1)c1ccc(Cl)cc1 58250621 RFUXXKWSKRKYGT-AWEZNQCLSA-N 423.966 4.528 0 40 HJAB CC(C)c1ccc(-c2cc3c4nn(Cc5ccc(Cl)cc5)c(=O)n4ccn3n2)cc1 67260586 CJIPVFIBVLYRBJ-UHFFFAOYSA-N 417.900 4.636 0 40 HJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C)c(F)c2)nc1 67294386 SQHPTYGMGJWYTR-RWEWTDSWSA-N 403.413 4.774 0 40 HJAB COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)cc1Cl 67299331 QUWQKNLEKRLDMG-LVWGJNHUSA-N 424.840 4.556 0 40 HJAB C[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccccc1NC(=O)c1cc(F)cc(F)c1 95451277 WHBNAVWAOFJPKQ-LBPRGKRZSA-N 416.374 4.986 0 40 HJAB Cc1cc(F)cc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 98072943 KRCANSKEIGPVFP-UHFFFAOYSA-N 412.202 4.716 0 40 HJAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)c1C 138760644 PVTLQWBLQCFYBL-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB Cc1ccc2c(c1)[C@H](NC(=O)COc1ccc(Br)cc1)CC(C)(C)O2 218818578 UEDAHMUUNAAIBJ-QGZVFWFLSA-N 404.304 4.555 0 40 HJAB COc1ccc(CCCNC(=O)COc2ccc(C(C)C)cc2Br)cc1 218874365 WTWGWNJXJJSLAB-UHFFFAOYSA-N 420.347 4.709 0 40 HJAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 223891430 GSSCKOMFJJPMIF-VXKWHMMOSA-N 419.598 4.881 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 224410559 SPFQVRLTVNOHQV-UHFFFAOYSA-N 422.550 4.630 0 40 HJAB Cc1ccc(CN(C(=O)COc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)cc1 224732204 MQACDFQMQDOXAI-NRFANRHFSA-N 422.569 4.548 0 40 HJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 224760001 MSMGFZLNCURUAS-GOSISDBHSA-N 412.961 4.749 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl 225167210 PRKJAWDAZVAPCE-INIZCTEOSA-N 421.368 4.870 0 40 HJAB CC[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(S(C)(=O)=O)cc1 225723032 YQIFHSCEMJNCTO-INIZCTEOSA-N 416.490 4.547 0 40 HJAB CCN(c1ccccc1C(=O)O)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 226855687 XVHFHOQHFJKYAW-UHFFFAOYSA-N 408.690 4.560 0 40 HJAB CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 227486500 RBODANZUSHIBEF-SBUREZEXSA-N 404.422 4.649 0 40 HJAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)C1(c2ccc(Cl)cc2)CCCC1 253472916 QPVNVOYLLMQRQF-QFIPXVFZSA-N 415.942 4.859 0 40 HJAB COc1ccc2[nH]c(C(=O)N3CCC[C@@H](c4ncc(Cc5ccccc5)o4)C3)cc2c1 257264665 LVNJDDMOMCRNAT-GOSISDBHSA-N 415.493 4.775 0 40 HJAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)CN(C(=O)CC1CCCC1)CCO2 257265869 MARVXZMTMQZUOY-XWGVYQGASA-N 403.538 4.737 0 40 HJAB CN(C)c1cncc([C@H]2CCCN2C(=O)C2(c3c(F)cccc3Cl)CCCC2)n1 257277092 NWJFIJBSIILGCV-GOSISDBHSA-N 416.928 4.511 0 40 HJAB Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)s1 257277762 NZGGHUTZLLXXRB-SFHVURJKSA-N 415.946 4.898 0 40 HJAB FC(F)(F)c1ccccc1Cc1cccc([C@H]2CN(Cc3ccccn3)CCO2)n1 257302604 SDNSHCGSYBCPGH-JOCHJYFZSA-N 413.443 4.660 0 40 HJAB CCOc1ccccc1-c1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1 408528309 VSMJYSUMODWZMC-UHFFFAOYSA-N 423.325 4.908 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1NC(=O)c1ccccc1 408556285 HKIXCWMWPOGQIB-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB Cc1nc(S/C(=C\c2ccc(Sc3nc4ccccc4s3)o2)C(=O)O)n[nH]1 409194593 PLCOPPYBYFRWQZ-JYRVWZFOSA-N 416.509 4.685 0 40 HJAB COc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1 409382220 QCOKQELNJQVMHF-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB O=C(c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCC[C@H]2C[C@H]21 672129755 GDJJLTXCXFMZNS-SWLSCSKDSA-N 418.444 4.639 0 40 HJAB CC[C@H](Cc1ccc(C(F)(F)F)cc1)NCc1ccc(S(C)(=O)=O)c(Cl)c1 1659450735 CTHLHYSGJXHUJX-MRXNPFEDSA-N 419.896 4.873 0 40 HJAB COc1ccc(C[C@@H]2CN(CCc3ccccc3)CC[C@H]2OCc2ccncc2)cc1 2055754762 OFNITLHTQJSRLS-XNMGPUDCSA-N 416.565 4.783 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)c(C)c1 1263849 XMRDOBSXASIIJV-UHFFFAOYSA-N 417.490 4.944 0 40 HJAB O=C(c1cccc(Cl)c1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 1349252 GPTFQTKNMDKNSL-UHFFFAOYSA-N 401.894 4.565 0 40 HJAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)Nc4nccs4)c23)C1 1377330 IDZISWCZZCVJJQ-JTQLQIEISA-N 416.597 4.881 0 40 HJAB COc1ccc(-c2c(NC(=O)C3CCCCC3)n(-c3ccccc3)nc(C)c2=O)cc1 2360130 CGHSAHVJHCNKPX-UHFFFAOYSA-N 417.509 4.735 0 40 HJAB Cc1nn(-c2ccccc2)c2sc(C(=O)NCCc3c[nH]c4ccccc34)cc12 3216612 PYIWQIBXMFNTQD-UHFFFAOYSA-N 400.507 4.849 0 40 HJAB COc1ccc([C@H]2NC(=O)N(c3ccccc3)C(C)=C2C(=O)Nc2ccccc2)cc1 3273110 NOALKSYJQCKHRI-HSZRJFAPSA-N 413.477 4.879 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 3483949 GUBFGXFVMDSYFC-ROUUACIJSA-N 406.555 4.816 0 40 HJAB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 3498797 OAISUPQYWVYMKU-KRWDZBQOSA-N 415.522 4.757 0 40 HJAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)[C@@H]1COc2ccccc2O1 4224287 GUMFMBKWCBBOHQ-INIZCTEOSA-N 407.278 4.895 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1ccc(-c2ccc3c(c2)OCO3)nn1 4356683 RRNWJWKEKDAHQH-UHFFFAOYSA-N 413.886 4.565 0 40 HJAB CCCCc1ccc(C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)cc1 4374815 SZVZHZMATGMWFT-UHFFFAOYSA-N 422.529 4.912 0 40 HJAB C[C@@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1 4690412 ZPANJEKALVVQIO-ABDJAZHISA-N 414.461 4.558 0 40 HJAB Cc1cccc(C)c1NC(=O)NC1(C(=O)Nc2ccc3c(c2)OCCO3)CCCCC1 4982202 CSMRBQBVIYEOJB-UHFFFAOYSA-N 423.513 4.538 0 40 HJAB CCC(CC)COC(=O)c1c(N)n(-c2ccc(F)cc2)c2nc3ccccc3nc12 5029868 MKDFYVGZCVRSSA-UHFFFAOYSA-N 406.461 4.888 0 40 HJAB COc1ccc(C)cc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(C)cc1 5223670 HMQMNHTVLHLPDB-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB Cc1cccc(OCc2nc3ccccc3n2C[C@@H](O)COc2c(C)cccc2C)c1 5589776 WTAPALCONWWMNJ-OAQYLSRUSA-N 416.521 4.980 0 40 HJAB O=C(/C=C/c1ccc(Br)o1)OCc1nnc(-c2ccc(Cl)cc2)o1 6066048 AGEOFQAFPXYHQM-SOFGYWHQSA-N 409.623 4.502 0 40 HJAB CCOc1ccc(Oc2ccc(NC(=O)c3cc(=O)[nH]c4ccccc34)cc2)cc1 6153998 KEKAYSDKFMLBDW-UHFFFAOYSA-N 400.434 4.971 0 40 HJAB NC(=O)c1c(NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 6282319 PKZNWDWBTBCKBQ-UHFFFAOYSA-N 406.507 4.557 0 40 HJAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1Cl 6882155 YZQHZOWQEUHELX-KRWDZBQOSA-N 407.297 4.540 0 40 HJAB CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)NC1=S 6888422 WGOKSFZHKUHSAE-CXUHLZMHSA-N 407.322 4.650 0 40 HJAB CCOc1ccc(C[C@@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 6964437 JHNLIMRUYQJACY-SFHVURJKSA-N 405.903 4.949 0 40 HJAB CN(C)C(=O)[C@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 6993540 KTPPUSACNHWIIO-OAQYLSRUSA-N 414.534 4.856 0 40 HJAB Cc1ccc(CN2C(=O)[C@]3(SCC(=O)N3c3ccc(C)cc3)c3ccccc32)cc1 6997123 UWFDCFRLYPRGOG-RUZDIDTESA-N 414.530 4.783 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)c(Cl)c1 7387984 CMZSTRSNMGIMLQ-UHFFFAOYSA-N 413.949 4.595 0 40 HJAB CN(C)c1nc2ccc(OC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc2s1 7512665 PMJPZYRIEVFPFJ-UHFFFAOYSA-N 402.475 4.813 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 7608184 NZWPZKUYTJKTHY-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@H]1c1ccc(F)cc1 8022936 HKUNZLARNTZTGU-VTJDKEBTSA-N 423.484 4.619 0 40 HJAB COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1cccc(F)c1)c1ccccc1 8138166 FAFSRTHANADTMC-KGENOOAVSA-N 405.425 4.557 0 40 HJAB COc1cccc(Nc2nc(N3CCC[C@H](C)C3)nc3c2cnn3-c2ccccc2)c1 9573618 KHBINRYRWKSEKN-KRWDZBQOSA-N 414.513 4.804 0 40 HJAB Cc1ccc(N2C(=O)N(Cc3cccc(F)c3)c3ccccc3S2(=O)=O)cc1C 10273007 FXWAUIYSSKSXEB-UHFFFAOYSA-N 410.470 4.778 0 40 HJAB Cc1ccc(N2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)cc1F 10273477 WCLSIMJWONJDJV-UHFFFAOYSA-N 414.433 4.609 0 40 HJAB Cc1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 10371628 DEPOFBIIFQBNBE-LJQANCHMSA-N 422.550 4.547 0 40 HJAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc(C(=O)Nc2ccccc2)cc1 11011509 FZVSWGKBNCKURQ-LJQANCHMSA-N 411.509 4.713 0 40 HJAB Cc1ccc(OCCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1 11667186 TXVVSWOOXXSCKY-UHFFFAOYSA-N 403.482 4.727 0 40 HJAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCc1ccccc1Cn1ccnc1 12535848 XNHRHUKOSIWNTN-UHFFFAOYSA-N 422.941 4.567 0 40 HJAB Cc1cccc(N(Cc2ccccc2)C(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)c1 12552984 CIVGHDHTDNYBIC-GOSISDBHSA-N 423.538 4.585 0 40 HJAB C[C@@H]1CCN(C(=O)CSc2nc(-c3ccccc3F)n[nH]2)c2ccccc2S1 12568437 PQGODQCUCAEYQA-CYBMUJFWSA-N 414.531 4.620 0 40 HJAB O=C1c2ccccc2N[C@H](c2cc(Cl)c3c(c2)OCCCO3)N1CC(F)(F)F 12600506 KKPQMTFOTANZMX-KRWDZBQOSA-N 412.795 4.630 0 40 HJAB CCN(C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]21)C[C@@](C)(O)c1ccccc1 12659888 JTMYRQKZNPTWKI-ZLZPBVFJSA-N 411.586 4.674 0 40 HJAB biogenic Cc1ccccc1[C@H](Sc1nnc(N2CCOCC2)n1C1CC1)c1ccccc1 12908304 DMBCEJOAKXMTSL-OAQYLSRUSA-N 406.555 4.640 0 40 HJAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1Cl 13148756 KYQXYPBRNAVLND-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB COCCCN(Cc1ccccn1)C(=S)Nc1cc(C(F)(F)F)ccc1Cl 13728132 OYNRADPAOAFWBR-UHFFFAOYSA-N 417.884 4.989 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCc1nnc2sc(-c3cccs3)nn12 13736156 VRXDESYRUKHYMP-UHFFFAOYSA-N 406.540 4.502 0 40 HJAB O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCC(c2nc3ccccc3o2)CC1 14249366 ORYVSPPUFMKEFC-UHFFFAOYSA-N 420.900 4.746 0 40 HJAB COc1ccc(CC(=O)N2CC[C@H](c3nc(C4CCC4)n4c(C)csc34)C2)cc1 19240497 IKZPHAAPQYWGQK-SFHVURJKSA-N 409.555 4.539 0 40 HJAB CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2nnc(-c3cccs3)o2)cc1 19426286 MIRSVOGUJQANNY-UHFFFAOYSA-N 401.444 4.502 0 40 HJAB Cc1n[nH]c(C)c1Cc1c(C(=O)N[C@@H](C)c2cc3cc(Cl)ccc3o2)noc1C 19579084 YFOYHALEEFNONH-LBPRGKRZSA-N 412.877 4.804 0 40 HJAB CC[C@@H](NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 20454847 ITNGQJOZIDLBOZ-HSZRJFAPSA-N 422.550 4.534 0 40 HJAB Cc1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CC[C@H](C)C4)cc1 24574217 CGUDYQJMNCBUFA-INIZCTEOSA-N 409.555 4.749 0 40 HJAB Cc1cccc(CSc2nnc(Nc3cc(C)ccc3C)c(=O)n2-n2cccc2)c1 28535101 NFHDCGRFPVUSHE-UHFFFAOYSA-N 417.538 4.712 0 40 HJAB C[C@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 33039566 ORJHHNSALVKOQC-KBPBESRZSA-N 403.313 4.857 0 40 HJAB CC1(C)C[C@H]2C[C@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)C1 36351196 UAENYAGEVSRORJ-ROOHIHILSA-N 405.336 4.957 0 40 HJAB COc1ccc(C2=NN3[C@H](c4cccc(OC)c4)Oc4c(OC)cccc4[C@H]3C2)cc1 36352245 MRGNQPRYOOUDBA-RDGATRHJSA-N 416.477 4.955 0 40 HJAB Cc1cc(C(=O)Nc2ccc3oc(-c4cc(F)ccc4Br)nc3c2)on1 49733327 FHAWPYKZYIPGTI-UHFFFAOYSA-N 416.206 4.945 0 40 HJAB CCc1ccc2c(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc(=O)oc2c1 58160460 RIOULLJPXOHEBY-UHFFFAOYSA-N 416.443 4.696 0 40 HJAB CN1CCN(C(=O)c2ccc3oc(-c4cc(Cl)c(Cl)c(Cl)c4)nc3c2)CC1 59843000 FDWGVZVVPRRGQQ-UHFFFAOYSA-N 424.715 4.843 0 40 HJAB COc1cccc(CN2CC=CC[C@H](C3CCN(CCc4ccccc4)CC3)C2=O)c1 72371055 FGBDFEIETZYPPX-AREMUKBSSA-N 418.581 4.555 0 40 HJAB COCCn1ccc2ccc(NC(=O)c3c(C)nn(-c4ccc(F)cc4F)c3C)cc21 95458079 JZINIMNZQGBPTO-UHFFFAOYSA-N 424.451 4.621 0 40 HJAB CCN(CC)CCCNC(=O)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 96037804 NXZSJBLQVLAREL-UHFFFAOYSA-N 418.497 4.612 0 40 HJAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@H](O)COc2ccc(C(=O)c3ccccc3)cc2)C1 106097202 TYDNJEMKVWACPU-AOJNWGRGSA-N 407.554 4.558 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C)C=CC[C@H]2C1=O 136688320 LQBMTJCZGXAEID-NQYLQCIDSA-N 408.885 4.602 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 222940507 QKLCGMFVFXYRJA-QFIPXVFZSA-N 414.977 4.647 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1C1CCCCC1 223082814 XLQRLHSXPPOUEJ-FGZHOGPDSA-N 403.555 4.573 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 223184363 BIVAAUPBVMEXGL-FQEVSTJZSA-N 418.990 4.517 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 223404226 IHSARIOVQRHABH-OAQYLSRUSA-N 414.977 4.913 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 224262169 CMZVBMDCIZFKKF-NRFANRHFSA-N 400.950 4.525 0 40 HJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C(C)C)c(OC)c1 224813306 KUZZHXPDAFKWGK-FCHUYYIVSA-N 422.554 4.658 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 224859461 UQLWFAQPTABAHV-UHFFFAOYSA-N 413.905 4.859 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1C 224866455 HLLMTXQNZPBKEY-PMACEKPBSA-N 412.946 4.573 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 225001012 KUWCEMJNUNNTFQ-PMACEKPBSA-N 412.599 4.642 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 225164194 FZOCHGGHTNBKLQ-JOCHJYFZSA-N 412.599 4.729 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(C)cc2C)c1 225337197 VAVDPVZICWCLGY-MIDMBNTASA-N 402.494 4.853 0 40 HJAB S=C(NCCSCc1c(Cl)cccc1Cl)Nc1ccc2c(c1)OCO2 225364327 ZIZPBOQIWIKNIK-UHFFFAOYSA-N 415.367 4.942 0 40 HJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225623151 MMBVSYDTAFZLBV-REHUZNOOSA-N 404.595 4.967 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225719429 PGTHBMFZOFNDFR-HXUWFJFHSA-N 421.368 4.868 0 40 HJAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc(Br)cc1F 225808486 AUYHGSMQOOBFDS-UHFFFAOYSA-N 424.657 4.863 0 40 HJAB CC(C)Cn1nc(-c2cc(F)c(F)cc2OCC(=O)O)cc1-c1ccc(F)cc1 257266271 MCGGYDPLYSQRHO-UHFFFAOYSA-N 404.388 4.754 0 40 HJAB CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 257270139 MSXYKCKYWVLBFZ-GHTZIAJQSA-N 424.610 4.747 0 40 HJAB Cc1cccc(N(CC(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)c1C 408621403 RRKNNOMTFJHBCJ-UHFFFAOYSA-N 424.522 4.500 0 40 HJAB Cc1ccc(OCC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1C 408714479 ROBBCJPGCYCJFL-UHFFFAOYSA-N 407.514 4.688 0 40 HJAB Cc1c(F)cccc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 409001551 JAXRZVHHNUIWCG-HSZRJFAPSA-N 418.468 4.836 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 409410793 PZYBWDOAFGHZAR-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB COc1ccc(CN2CCC[C@@H](c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)cc1 585289455 GVMPUAYGMGQJAJ-MRXNPFEDSA-N 418.419 4.539 0 40 HJAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=S)NCc3ccco3)C3CCCC3)cc12 878666 JGKTZPPIGZHUNX-UHFFFAOYSA-N 409.555 4.557 0 40 HJAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c(OC)c1OC 998340 KVSCJEGLDLJQDQ-QFIPXVFZSA-N 408.429 4.623 0 40 HJAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cccc(Cl)c1C 2230592 MSJQQENPXJZFBS-UHFFFAOYSA-N 406.964 4.643 0 40 HJAB CCCCNC(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 2262450 WOVQHEGCERNOTF-KOLCDFICSA-N 406.861 4.788 0 40 HJAB COc1ccc([C@@H](NC(=O)Cc2cccs2)C(=O)Nc2ccc(C(C)C)cc2)cc1 3615586 BHWHHFQPJFSNNC-HSZRJFAPSA-N 422.550 4.919 0 40 HJAB O=C(COc1ccc2ccccc2c1)Nc1cccc(-c2cn3c(n2)SCC3)c1 4249032 AWDPDFFHJMKNAV-UHFFFAOYSA-N 401.491 4.827 0 40 HJAB CCOc1cccc2sc(N(CCN(CC)CC)C(=O)c3cccs3)nc12 4359471 JKCGZJCHYUXLAQ-UHFFFAOYSA-N 403.573 4.745 0 40 HJAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2)c1 4660023 SUACEHFWSHLFRZ-KRWDZBQOSA-N 404.466 4.744 0 40 HJAB COc1cc(C(F)(F)F)ccc1C(=O)Nc1ccccc1C(=O)N1CCCC[C@H]1C 4783879 NZDIHMFEOJAYGN-CQSZACIVSA-N 420.431 4.981 0 40 HJAB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2cccc(Cl)c2)NC(=S)N1 4953301 OPRTZLIOFSRZEQ-KRWDZBQOSA-N 406.338 4.733 0 40 HJAB CCc1cccc(C)c1NC(=O)[C@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O 5183269 UUZYJFUDWSFFTR-HNNXBMFYSA-N 418.522 4.591 0 40 HJAB COc1cc(CSc2nnc(NC(=O)Nc3cccs3)s2)cc(OC)c1 5253743 SERDYMCHZPEUHQ-UHFFFAOYSA-N 408.530 4.553 0 40 HJAB O=C(CSc1ccc(Br)cc1)OCC(=O)c1ccc(Cl)s1 7783924 HBQFKDPZNLUEAI-UHFFFAOYSA-N 405.722 4.682 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 8498682 GGAPVSJTFNKOEQ-HXUWFJFHSA-N 400.906 4.762 0 40 HJAB CCCCC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 9062350 CJGGEGRWRCKQNQ-UHFFFAOYSA-N 410.499 4.595 0 40 HJAB Cc1cccc(CN2CCC(C(=O)NCCSCc3cccc(Cl)c3)CC2)c1 9063011 WKIHOAPVYTYKEU-UHFFFAOYSA-N 417.018 4.910 0 40 HJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C)cccc1CC 9664969 DOBVOKJMWXYWHO-UHFFFAOYSA-N 408.571 4.881 0 40 HJAB O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)c1ccc2c(c1)OCCO2 9671673 NMBLAWXLBQGMFW-UHFFFAOYSA-N 420.512 4.549 0 40 HJAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccc(Br)o1 9708237 FEQNUVTUXBVTKW-OAHLLOKOSA-N 417.328 4.637 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 10372096 CHZPDCKTBZIZQO-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccnc4)=NN23)cc1 12196176 RDLMHPQQKYHADS-QPPBQGQZSA-N 401.466 4.731 0 40 HJAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N[C@@H](C)c1ccccc1 12754304 XSOFXIKKICSYDB-ZDUSSCGKSA-N 415.415 4.568 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(Br)cc1F 12825279 OEPOZQZLSKIUOO-UHFFFAOYSA-N 419.275 4.899 0 40 HJAB COc1ccc([C@H](CNC(=O)c2oc3c(Cl)cccc3c2C)N2CCCC2)cc1 12912129 WYVLMOUKDSTUQV-FQEVSTJZSA-N 412.917 4.970 0 40 HJAB C[C@H](Sc1nnc([C@@H](C)Oc2ccccc2F)o1)C(=O)N(C)C1CCCCC1 12997646 VKOJWUTWUZIXFK-KGLIPLIRSA-N 407.511 4.620 0 40 HJAB C/C(=C\C(=O)Nc1ccc(SCC(=O)Nc2ccc3ccccc3c2)cc1)C(=O)O 13579146 KDRUOLCRHXEOJY-NTCAYCPXSA-N 420.490 4.540 0 40 HJAB CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714143 BECYCHFQPWOUQH-IBGZPJMESA-N 408.951 4.647 0 40 HJAB COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)c1 13776444 IFYAVGLOSMGHLU-YKSBVNFPSA-N 400.434 4.666 0 40 HJAB O=C1Nc2ccc(F)cc2[C@]12Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 15320327 ZDKMMHCNQMTIRP-REWPJTCUSA-N 419.843 4.828 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2cccc(C)c2)cc1 16309838 JNFBDFVLOUGVOM-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB COc1cc(NC(=O)c2ccccc2OC)ccc1NC(=O)c1ccccc1Cl 17088684 ZEFJTNPMRADHGF-UHFFFAOYSA-N 410.857 4.862 0 40 HJAB CC[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 18153413 QLMMNSJQXNKLBY-INIZCTEOSA-N 405.464 4.627 0 40 HJAB CCC(CC)C(=O)N1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1 19500084 AHEPKKKOCQKSNM-BHYGNILZSA-N 414.516 4.969 0 40 HJAB Cc1cc(Cc2ccccc2)cc(C2CCN(C(=O)CCc3c(C)n[nH]c3C)CC2)n1 19687065 SXVKWLHQDQSPEK-UHFFFAOYSA-N 416.569 4.660 0 40 HJAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4scnc4C)CC3)c2)cc1 19691082 AMQWYMWWMOVREH-UHFFFAOYSA-N 407.539 4.850 0 40 HJAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)c2ccccc2)cc1 19694424 GCDHPOIGCWNBFH-JOCHJYFZSA-N 416.525 4.586 0 40 HJAB O=C(C1c2ccccc2Oc2ccccc21)N1CCN(C/C=C/c2ccccc2)CC1 20508662 VUFIPFVYYTYBLM-DHZHZOJOSA-N 410.517 4.782 0 40 HJAB CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C)cc4C)cc3n2)cc1 20610201 KCYKRJCSVAENGD-UHFFFAOYSA-N 400.482 4.617 0 40 HJAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc2c(s1)-c1ccccc1CC2 24714690 MCKABKNQIKQUGR-MRXNPFEDSA-N 414.534 4.928 0 40 HJAB COc1ccc([C@H]2CCCN2Cn2nc(NC(C)(C)C)sc2=S)c(OC)c1 24758173 UETOTXFCCQINPT-OAHLLOKOSA-N 408.593 4.696 0 40 HJAB C[C@H](NC(=S)Nc1ccc(Cl)cc1Cl)[C@H](c1ccccc1)N1CCOCC1 25329187 BIFGJZQFTVKJMP-IFXJQAMLSA-N 424.397 4.742 0 40 HJAB O=C(NC1CC1)[C@H](NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1ccccc1 25692412 QOSGHZVUQZOJMJ-FBLNZBNDSA-N 408.545 4.893 0 40 HJAB O=C(CSc1ccc(F)c(F)c1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 26364640 GJHVXIKHFGPYKZ-CYBMUJFWSA-N 420.506 4.879 0 40 HJAB CCCNC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CCCC2 27021216 DLGKINSMFIKBMZ-UHFFFAOYSA-N 421.360 4.782 0 40 HJAB Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)cc1C 27663862 CEKJRCXEROJXCZ-QFIPXVFZSA-N 400.950 4.679 0 40 HJAB C[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1cccc(NC(=O)c2ccccc2)c1 32925171 KAFNBVOOSSNGAW-MRXNPFEDSA-N 412.445 4.536 0 40 HJAB COc1cc2cc([C@@H]3CC(c4cccs4)=NN3C(C)=O)c(Cl)nc2cc1OC 32934837 BTYUWMDMIRDZSH-INIZCTEOSA-N 415.902 4.665 0 40 HJAB O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 38833992 MUNLQWGYVMXBNU-HNNXBMFYSA-N 407.739 4.953 0 40 HJAB CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(C)cc2C)C1 44803676 PCPXBNOGXXBYQZ-SFHVURJKSA-N 404.514 4.500 0 40 HJAB O=C(NCc1ccccc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078856 LDCLHBPCDYZPQQ-UHFFFAOYSA-N 404.897 4.863 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCOc1ccccc1Br 54430210 VBIBWNMIVRPMSZ-UHFFFAOYSA-N 414.303 4.659 0 40 HJAB CSc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)c1 57426248 VDQMPRPALDVZRN-UHFFFAOYSA-N 419.597 4.567 0 40 HJAB CCc1ccc(-c2cc3c(SCC(=O)Nc4cccc(F)c4)nccn3n2)cc1 57511110 WXCKPSFXTBSDNI-UHFFFAOYSA-N 406.486 4.829 0 40 HJAB COc1cccc(CN2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c1 72330410 KRJQTASYDODNQU-CVDCTZTESA-N 421.566 4.535 0 40 HJAB COc1ccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)cn1 79015362 GZZRVSRMWLZLTL-UHFFFAOYSA-N 402.907 4.541 0 40 HJAB Cc1ccccc1Nc1nnc(SCc2cc(=O)n3cc(Cl)ccc3n2)s1 89690665 BKSQYQWDQQZBHR-UHFFFAOYSA-N 415.931 4.544 0 40 HJAB O=C(C[C@@H]1CCOc2ccccc21)N(c1nccs1)[C@@H]1CCCc2cccnc21 95997593 IHDIIHDSCCGJCR-PKOBYXMFSA-N 405.523 4.905 0 40 HJAB COC1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1 96104504 SMAZXHALRHQEKC-UHFFFAOYSA-N 409.313 4.626 0 40 HJAB COc1ccc(CCNC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccc(OC)cc2)(C4)C3)cc1 100775057 FZMKJSRFWAQFQB-CUFNRJLSSA-N 419.565 4.901 0 40 HJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1Cc1ccccc1 222826283 NENWEYNQHCHQKK-DHIUTWEWSA-N 404.583 4.929 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1C[C@@H]1CCCO1 223316625 YCHPSNAKELJTJI-NYVOZVTQSA-N 410.587 4.540 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1C 224111452 NHVGCGDLXWRPGH-QHCPKHFHSA-N 422.550 4.701 0 40 HJAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)ccc1N1CCCC1=O 224375638 OCKWHZBLGHPMRY-UHFFFAOYSA-N 420.490 4.822 0 40 HJAB CCOc1ccc(CNC(=O)CSCc2ccc(Cl)cc2F)cc1OCC 225053609 ZHTOVOXXBDHDOX-UHFFFAOYSA-N 411.926 4.826 0 40 HJAB COc1ccccc1CC(=O)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257306507 SUNGTANJFWJXOS-FQEVSTJZSA-N 410.901 4.834 0 40 HJAB CC(C)n1nccc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257313104 URBFPHPSUBHZKU-QGZVFWFLSA-N 412.921 4.716 0 40 HJAB CC(C)[C@@H]1C[C@@]2(CCCN(C(=O)Cc3ccc(O)cc3)C2)CO[C@H]1c1ccccc1 257313402 USGGVCVYTGUAEX-AYRHNUGRSA-N 407.554 4.977 0 40 HJAB COc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)cn1 257324319 WODAMBMSAMUHGS-LJQANCHMSA-N 411.889 4.690 0 40 HJAB O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccccc2)cc1 408627149 KUJYUPGVSSNBEE-UHFFFAOYSA-N 400.459 4.587 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(C)C)cc3)C2=O)cc1 409169480 RBKNHALRWPMZSX-NDENLUEZSA-N 424.522 4.705 0 40 HJAB COc1ccc(-n2ncc3c(N)c4c(nc32)C[C@@H](c2ccc(Cl)cc2)CC4=O)cc1 618257156 SKYICFURWIDUFF-CQSZACIVSA-N 418.884 4.577 0 40 HJAB COc1ccccc1-c1cccc(C[C@@]2(C(=O)O)CCN(C(=O)OC(C)(C)C)C2)c1 953043893 GTOZJLWHRNRFNV-DEOSSOPVSA-N 411.498 4.617 0 40 HJAB CSc1ccccc1NC(=O)N1CCC[C@]2(CCCN(Cc3ccccn3)C2)C1 2056223240 SOGRWQNNSQRFRR-QHCPKHFHSA-N 410.587 4.714 0 40 HJAB CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 2067597 AHRKKPZTYTVPKS-OVKIHRCZSA-N 409.485 4.872 0 40 HJAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4cccc(F)c4)nc3C2)cc1 2380737 QPHDHDRNIAEWKP-SFHVURJKSA-N 403.457 4.904 0 40 HJAB COc1cc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)ccc1OC(C)C 2414005 KFEOJWUZCJWSPS-OSVJCPFSSA-N 406.526 4.510 0 40 HJAB Cc1sc2ncnc(OCC(=O)NC(c3ccccc3)c3ccccc3)c2c1C 2641258 JLJZNCLNUYSCJC-UHFFFAOYSA-N 403.507 4.593 0 40 HJAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3coc4cc(OC)ccc34)n2)c1 3559288 SEDDPJUVKMSQDQ-UHFFFAOYSA-N 424.478 4.763 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)c1 4491958 VWPVSRJYAVLWPM-JOCHJYFZSA-N 407.514 4.717 0 40 HJAB biogenic COc1ccc(-c2cn3nc(COc4ccccc4)n4c3c2CCCC4)cc1OC 4518356 BTLAUEKZZIVEND-UHFFFAOYSA-N 403.482 4.735 0 40 HJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1cccc(OC)c1 4937180 UPECWBATRXCFIY-UHFFFAOYSA-N 413.473 4.688 0 40 HJAB CC(C)NC(=O)c1ccc2c(c1)N(Cc1c(Cl)cccc1Cl)C(=O)C(C)(C)O2 4965830 MRFBFRWXCWTRFY-UHFFFAOYSA-N 421.324 4.836 0 40 HJAB Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3cc(Cl)ccc3Cl)c(=O)c12 7424052 BWCYVZUBWCRYBK-UHFFFAOYSA-N 413.264 4.581 0 40 HJAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 7718949 PDSBTNLSOIXPNS-XMMPIXPASA-N 410.473 4.595 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H](C)c1ccccc1Br 8022112 RABAACQOYJWQKI-CQSZACIVSA-N 412.331 4.672 0 40 HJAB O=C(CCc1nc2ccccc2s1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 8075985 MLAYIZKCKITPOY-UHFFFAOYSA-N 417.538 4.853 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2CC)cc1 8086178 FQSXONDLRIVDDC-INIZCTEOSA-N 410.543 4.731 0 40 HJAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCC[C@H](c2nc3ccccc3s2)C1 8103497 JRXMGOQVUHDIDP-CKDFRHGISA-N 420.534 4.877 0 40 HJAB COc1ccc(CC(=O)Nc2nnc(S[C@H](C)c3ccccc3)s2)cc1OC 8794620 YIWIOKDKHUNTMO-CYBMUJFWSA-N 415.540 4.590 0 40 HJAB CCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CC)cc1OCC 8845835 QUPBNEBVQKKLBF-HSZRJFAPSA-N 421.497 4.535 0 40 HJAB O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)C(O)(c1ccccc1)c1ccccc1 9256194 CVQNNVLKGQYAAK-UHFFFAOYSA-N 419.864 4.974 0 40 HJAB O=C(COc1ccc(Cl)cc1)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 9391595 CJEIKXWLQZWPAZ-UHFFFAOYSA-N 420.321 4.943 0 40 HJAB CC(C)Oc1cccc(CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 10543290 YCYWJZOQBFSEAY-UHFFFAOYSA-N 416.370 4.833 0 40 HJAB O=C(/C=C/c1ccc(-c2ccccc2)s1)Nc1ccccc1C(=O)N1CCOCC1 12915226 VTXBBOVTJCZVJM-ACCUITESSA-N 418.518 4.539 0 40 HJAB CC(=O)N(c1nc(COc2ccc(-c3nnco3)cc2)cs1)c1ccccc1F 12981101 VXPPAELEZGZIKJ-UHFFFAOYSA-N 410.430 4.596 0 40 HJAB Cc1ccc(C(=O)c2ccccc2C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 12990063 WHPPLMCHSFFUPF-UHFFFAOYSA-N 414.505 4.520 0 40 HJAB COc1ccc(CCNC(=S)Nc2cc(Cl)ccc2N2CCCCC2)cc1 14068443 WFBRAYXPKYUXHT-UHFFFAOYSA-N 403.979 4.868 0 40 HJAB O=C(COc1ccccc1C(=O)NC1CCCCC1)Nc1cccc(C(F)(F)F)c1 14095494 YMEXWFJKRONAGL-UHFFFAOYSA-N 420.431 4.785 0 40 HJAB COc1ccc(OC)c(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1 14169709 LBHIJCMARMFOFH-OAQYLSRUSA-N 400.478 4.747 0 40 HJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 14665379 IQOMPMCKXATVQK-QGZVFWFLSA-N 420.509 4.913 0 40 HJAB O=C([C@H](Sc1nnc(/C=C/c2ccc(F)cc2)[nH]1)c1ccccc1)N1CCCCC1 14897970 HFGUSCKOOFSGMP-QGFLDLQWSA-N 422.529 4.960 0 40 HJAB COc1ccc(CCNC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(OC)cc2)(C4)C3)cc1 15581503 FZMKJSRFWAQFQB-FTRDYKAISA-N 419.565 4.901 0 40 HJAB CSc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 16035441 OGZIVNRCDOIZDC-KRWDZBQOSA-N 421.444 4.694 0 40 HJAB O=C(c1cnc2ccccc2c1Nc1ccc(Cl)c(Cl)c1)N1CCOCC1 16840163 OXGWGEXCZFJCHM-UHFFFAOYSA-N 402.281 4.758 0 40 HJAB Cc1ccc(C2(CNC(=O)c3cc(Br)ccc3Cl)CCOCC2)cc1 16970453 XUMDWTYKGFSBOU-UHFFFAOYSA-N 422.750 4.889 0 40 HJAB O=C(N[C@H]1CCCc2c1cnn2Cc1cccc(Cl)c1)c1cc(-c2ccco2)on1 19293441 CGWZVXZZDWTDHI-KRWDZBQOSA-N 422.872 4.640 0 40 HJAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3cc(C4CC4)on3)on2)cc1 19558069 PSHQJRGKXIEEPP-HXUWFJFHSA-N 407.470 4.973 0 40 HJAB Cc1nc2ccc(NC(=O)c3cc(-c4cnn(C)c4C)nc4ccccc34)cc2nc1C 19664302 VUSGADIEXDHXHL-UHFFFAOYSA-N 422.492 4.756 0 40 HJAB Cc1ccc2[nH]c(C(=O)N[C@H](C)Cc3c(C)nn(C)c3C)c(-c3ccccc3)c2c1 19716825 BZIZLDCGAPXODJ-MRXNPFEDSA-N 400.526 4.855 0 40 HJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)C1(c2ccccc2)CCCC1 20096471 UDXCKMKXCWALNU-UHFFFAOYSA-N 404.466 4.991 0 40 HJAB CN(Cc1ccccc1N1CCCCC1)C(=O)NCc1ccccc1OC(F)F 22881960 KCTINJMYBQMALU-UHFFFAOYSA-N 403.473 4.620 0 40 HJAB COc1cccc([C@@H](CNC(=O)c2cccnc2Sc2ccc(C)cc2)N(C)C)c1 23187199 LKCNECBQWIPZCV-JOCHJYFZSA-N 421.566 4.583 0 40 HJAB COc1ccc(OCCn2c(=N)n(Cc3ccccc3Cl)c3ccccc32)cc1 23504998 ZBJAFOMXHIBFEN-UHFFFAOYSA-N 407.901 4.712 0 40 HJAB Cc1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CC[C@@H](C)C4)cc1 24574213 CGUDYQJMNCBUFA-MRXNPFEDSA-N 409.555 4.749 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2ccnc(Cl)c2)c2c[nH]c3ccccc23)cc1 24993232 FULUWTOEBUOYAS-LJQANCHMSA-N 405.885 4.787 0 40 HJAB CCCOc1cccc(C(=O)Nc2nc(-c3ccc(OCC)c(OC)c3)ns2)c1 27994853 PCJQOVOSZRFCHV-UHFFFAOYSA-N 413.499 4.654 0 40 HJAB COc1ccc([C@H]2Cc3cc(OC)c(OC)cc3[C@H](c3ccccc3)N2)cc1OC 31795257 CKZCETURDAJQBM-NLFFAJNJSA-N 405.494 4.697 0 40 HJAB C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 32622712 XSNKRZCHRJNKKU-HNNXBMFYSA-N 403.413 4.949 0 40 HJAB O=S(=O)(c1ccc(C2CCCCC2)cc1)N(Cc1ccccn1)[C@@H]1CCSC1 32935861 MYHKFOJCTAXBTE-OAQYLSRUSA-N 416.612 4.826 0 40 HJAB CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1cccc2ccccc12 34714237 NFMNJXPULYKNDN-BKUYFWCQSA-N 404.491 4.956 0 40 HJAB Nc1ccc(C(=O)OCCCCCCCCCCOC(=O)c2ccc(N)cc2)cc1 35586039 PDFLBOGQDBGJTF-UHFFFAOYSA-N 412.530 4.986 0 40 HJAB CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 36104809 JXOOTDTXDUCOPV-DCGLDWPTSA-N 404.967 4.780 0 40 HJAB Cc1cccc(CN2CCC(C(=O)NCc3cccc(CN4CCCCC4)c3)CC2)c1 38831228 PXQSNWYHLMMJJA-UHFFFAOYSA-N 419.613 4.509 0 40 HJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1ccc(Cn2cncn2)cc1 40067922 XUMSRTGXCQABQN-AWEZNQCLSA-N 418.328 4.536 0 40 HJAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1cccnc1Nc1cccc(F)c1 53368611 ALEYKQUIDPMBSU-UHFFFAOYSA-N 401.401 4.799 0 40 HJAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(OC)cc4OC)ccc3o2)cc1 57315734 XMABSBNBQOPMFZ-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB CC[C@H](NC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccc(Br)cc1 57987348 FTNBMEMZFROOBL-HNNXBMFYSA-N 423.307 4.748 0 40 HJAB COc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)NCc5cccc(OC)c5)(C4)C2)C3)cc1 58098254 KLJBSDSFPLCKJM-ADXLDGDMSA-N 405.538 4.858 0 40 HJAB CC(C)(C)c1cc(NC(=O)c2cc(Br)cnc2Cl)n(C(C)(C)C)n1 60365051 MNEWRRWFAJZSOX-UHFFFAOYSA-N 413.747 4.999 0 40 HJAB NC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1 67294487 BMUDINCJSSPLBA-VYIQYICTSA-N 417.852 4.670 0 40 HJAB COc1ccccc1NC(=O)CSc1ncnc2c(-c3cccc(F)c3)c[nH]c12 71328160 BTQWAOVCJUILFS-UHFFFAOYSA-N 408.458 4.503 0 40 HJAB CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3Cl)[nH]n2)cc1 72331564 BYQZYQBGQYUIOG-UHFFFAOYSA-N 401.869 4.978 0 40 HJAB Cc1ccccc1-n1nc(C)c(CN2CCC([C@]3(C)CCCCN(C)C3=O)CC2)c1C 72371999 PSJYNJCFGSXIHL-SANMLTNESA-N 422.617 4.658 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 98072995 NKFZJYGBWKEPJC-UHFFFAOYSA-N 408.239 4.886 0 40 HJAB C[C@H](c1cccnc1)N(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C1CC1 108144673 VCMTWPFZVRWBHK-OXQOHEQNSA-N 420.538 4.639 0 40 HJAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1ccccc1OC(C)C 222744568 KTFSMSWBWNTECE-QNGOZBTKSA-N 404.466 4.785 0 40 HJAB O=C(Nc1nnc(SCc2ccccc2)s1)C1CCN(Cc2ccccc2)CC1 222791558 FQWRMKVRYQWSNT-UHFFFAOYSA-N 424.595 4.681 0 40 HJAB CC[C@@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccccc1C 224257443 GWNFDIRAOLKFKR-HSZRJFAPSA-N 422.550 4.701 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCc1ccccc1 224606076 ARDNHWOVLDEOMI-DEOSSOPVSA-N 406.570 4.528 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 224698087 DASIHOBQDQSLIC-NRFANRHFSA-N 408.586 4.995 0 40 HJAB Cc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCCC2)cc1 224758585 GIPDHZMXZXHIDE-OAQYLSRUSA-N 406.570 4.712 0 40 HJAB COc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1Cl 224874641 MXEUKTVZONYXBV-UYRXBGFRSA-N 410.857 4.660 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1nccs1 225008144 RUKQKPVXGXBVQT-VQTJNVASSA-N 423.611 4.861 0 40 HJAB COc1ccc(CCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1OC 225317207 LWFPCPGRUWAAFJ-UHFFFAOYSA-N 400.544 4.554 0 40 HJAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccc(S(C)(=O)=O)cc1 225691303 YQRCDCMIZJGHLZ-UTKZUKDTSA-N 417.571 4.557 0 40 HJAB Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1O 226243237 LIGUUNOBRREJRV-UHFFFAOYSA-N 405.075 4.787 0 40 HJAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC[C@@H](Oc2cccc3cccnc23)C1 245130850 VAPRLRYBNFXRSP-HXUWFJFHSA-N 401.441 4.663 0 40 HJAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(F)c(F)c2)C1 257243442 IGZKGPQUOBHWQR-VWPQPMDRSA-N 407.432 4.608 0 40 HJAB CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3F)o2)[nH]n1 257250986 JOVZVNCANCSTOA-LJQANCHMSA-N 410.493 4.793 0 40 HJAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cn(C)c3ccccc23)C1 257283684 OZJKIJXVMAEPKQ-INIZCTEOSA-N 403.551 4.742 0 40 HJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)Cn2cc(C=O)c3ccccc32)c1 408600244 XHLOLTQBYOREAX-UHFFFAOYSA-N 411.461 4.653 0 40 HJAB COc1ccc2c(-c3ccccc3)c(C(=O)Nc3cccc(-c4nn[nH]n4)c3)oc2c1 508805499 GGBTVTNPHBRKLH-UHFFFAOYSA-N 411.421 4.541 0 40 HJAB CC1(C)C[C@@H]2CN(C(=O)c3cccnc3C(F)(F)F)CC[C@@H]2N1c1cccc(F)c1 2037988466 LMAHMXRMSNRRTR-KDOFPFPSSA-N 421.438 4.759 0 40 HJAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccccc2F)cc1 2241929 QAPNIDARNAIRPF-UHFFFAOYSA-N 413.452 4.908 0 40 HJAB CCCCn1nc(NC(=O)Cc2ccc(OC)cc2)c2cc3cc(C)ccc3nc21 2394607 RYCAZQTYBXJBKA-UHFFFAOYSA-N 402.498 4.883 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1c(F)cccc1F)CC2 3282963 HAOBBDDKMHZRLU-NRFANRHFSA-N 415.461 4.831 0 40 HJAB Cc1nc(CSc2nc3scc(-c4ccc(F)cc4)c3c(=O)n2C)cs1 3341657 PDWHCSXEIJJZFT-UHFFFAOYSA-N 403.529 4.858 0 40 HJAB CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1 4325592 LRWZFZCDVORJGF-UHFFFAOYSA-N 408.523 4.538 0 40 HJAB COc1ccc(CCNc2ncc3c(n2)C[C@@H](c2cccc(Cl)c2)CC3=O)cc1 4741302 VYOBORMSNLOFTJ-QGZVFWFLSA-N 407.901 4.706 0 40 HJAB C[C@H](NC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)c1ccccc1 4742855 KLEJPCWSIFJSAQ-SSOJOUAXSA-N 409.489 4.591 0 40 HJAB COc1ccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(Cl)cc2)cc1 4890738 FSBWEPFXEIVOOH-UHFFFAOYSA-N 401.919 4.658 0 40 HJAB Cc1ccc(C(=O)CSc2nnc(-c3ccccn3)c(-c3ccccn3)n2)c(C)c1 5059591 PLTAEPNRNMUPNV-UHFFFAOYSA-N 413.506 4.587 0 40 HJAB CCCn1nc(NC(=O)c2cc(OC)cc(OC)c2)c2cc3cc(C)ccc3nc21 5072292 YAKVELUTEVMVCL-UHFFFAOYSA-N 404.470 4.572 0 40 HJAB COCc1c(C(=O)O[C@@H](C)C(=O)NCCC2=CCCCC2)sc2cccc(F)c12 5563686 QWVWQYPYAKKBNV-AWEZNQCLSA-N 419.518 4.739 0 40 HJAB COC(=O)c1cc(C(C)C)cc(Cc2cc(C(C)C)cc(C(=O)OC)c2O)c1O 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UKBBIYBOBYRRCU-UHFFFAOYSA-N 402.372 4.967 0 40 HJAB Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)cc1 8915788 FAWBZOHIQSIZQK-LJQANCHMSA-N 408.325 4.888 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)c1C 9284706 DVQNPVNLIYGLCW-UHFFFAOYSA-N 421.544 4.925 0 40 HJAB Cc1nc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)nn1-c1ccc(Cl)cc1 9337464 JQEYAAYDTNVEAR-QGZVFWFLSA-N 423.929 4.816 0 40 HJAB Cc1ccc(-n2cnnc2SCC(=O)N[C@H](c2cccs2)C(C)C)cc1Cl 10601033 IONNQDQYASJLSZ-SFHVURJKSA-N 420.991 4.896 0 40 HJAB O=C(NCCc1ccc(Br)s1)c1ccc2c(c1)C(=O)c1ccccc1-2 11381515 JWGWDZJBTIMMMT-UHFFFAOYSA-N 412.308 4.695 0 40 HJAB CC(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)C[C@@H]3CCCO3)cc2)n1 12220523 OXNVRUUJNZZILZ-FQEVSTJZSA-N 416.525 4.514 0 40 HJAB Cc1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)c1 12414516 RIADVLBINXETBJ-UHFFFAOYSA-N 421.859 4.803 0 40 HJAB O=C(CSc1ccc(-c2ccc3ccccc3c2)nn1)Nc1ccc2c(c1)OCO2 12845649 MVKGBCFXZKGYSD-UHFFFAOYSA-N 415.474 4.756 0 40 HJAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(Cl)c2)N1Cc1ccco1 13126946 SUBFUFJBWSGAKT-OAQYLSRUSA-N 405.841 4.774 0 40 HJAB Brc1ccc(-c2nn3c(-c4ccc5ccccc5n4)nnc3s2)cc1 13720209 KDMSMKZXBVCWEP-UHFFFAOYSA-N 408.284 4.831 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(Cl)c1 14669219 RIYCYIWWSNUVEZ-CQSZACIVSA-N 420.962 4.630 0 40 HJAB O=C(CSCc1nc2ccccc2[nH]1)N1CCC[C@H]1c1nc2ccccc2s1 15589896 CMKCDYCQNHGMCY-KRWDZBQOSA-N 408.552 4.770 0 40 HJAB CCOc1ccccc1Nc1nnc(SCc2cc(F)cc3c2OCOC3)s1 16618285 QGUOJGPPNFFYFC-UHFFFAOYSA-N 419.503 4.978 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3)no2)cc1 16846419 WMAJXOQJRBDBPK-UHFFFAOYSA-N 411.508 4.599 0 40 HJAB CCCCCOc1ccc(/C=C/C(=O)NCCc2nc3ccccc3[nH]2)cc1OC 17355372 ZSCFROUBSMKYPQ-ACCUITESSA-N 407.514 4.513 0 40 HJAB FC(F)(F)c1cccc(OCCc2cc([C@@H]3CCCN3Cc3ccncc3)n[nH]2)c1 19703675 JOTWNPOFKVETLN-NRFANRHFSA-N 416.447 4.782 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNCC1(c2cccc(F)c2)CCOCC1 19715474 QBEZYKYMDICWAC-UHFFFAOYSA-N 411.496 4.605 0 40 HJAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3cccc(Br)c3)n2)C1 22293789 DQKQNFJFJHXCPR-BETUJISGSA-N 408.365 4.636 0 40 HJAB Cc1nn(C)c(C)c1CC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 22511271 YBGPSFQTWXNAPD-UHFFFAOYSA-N 409.342 4.572 0 40 HJAB C[C@H](c1nnc(-c2cccs2)o1)N1CCN(Cc2cccc3ccccc23)CC1 22803578 RNBAIKXAUGFMFG-QGZVFWFLSA-N 404.539 4.830 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)N(C)Cc1nc2ccccc2s1 28024194 ZRGMCVUANBSRLB-UHFFFAOYSA-N 424.551 4.861 0 40 HJAB Cc1cc(F)ccc1NC(=O)CSc1nnc(Cc2ccccc2)n1CC(C)C 32579569 AVWRAJFFOLDDIR-UHFFFAOYSA-N 412.534 4.703 0 40 HJAB Cc1cc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)no1 32850740 NMKQLUZHLUZXQF-UHFFFAOYSA-N 413.359 4.502 0 40 HJAB O=C(CN1CCc2ccccc2C1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 35515118 WVFCHOPPDJONJW-JOCHJYFZSA-N 419.912 4.669 0 40 HJAB Cc1nnsc1C(=O)N(Cc1ccccc1)c1nc2c(Cl)cccc2s1 36711825 HUFPPOQXHPDCPL-UHFFFAOYSA-N 400.916 4.957 0 40 HJAB Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N(C)Cc2ccccc2)[nH]n1 38651923 UJGYMYBFPFXCCW-UHFFFAOYSA-N 406.486 4.920 0 40 HJAB Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H](C)n3cnc4ccccc43)cn2)c1 40112467 GRELPDODZMWZOT-GOSISDBHSA-N 400.482 4.718 0 40 HJAB CCN(CC)Cc1ccc(C(=O)NCc2cccc(COCc3ccccc3)c2)o1 48333457 DDRVYBSUXUQEOR-UHFFFAOYSA-N 406.526 4.768 0 40 HJAB COc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc23)cc1OC 49004693 MVPGPICTLOIZPV-UHFFFAOYSA-N 420.513 4.715 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1SCC(O)=Nc2c1cnn2C(C)(C)C 49549806 WLBWQEXABNRTOZ-FQEVSTJZSA-N 409.559 4.924 0 40 HJAB CCCCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC)cc1 57425317 DIOVGFQTQLXSIS-UHFFFAOYSA-N 415.584 4.941 0 40 HJAB Cc1cnn(-c2ccc(C(=O)Nc3ccc(Sc4nc(C)cc(C)n4)cc3)cc2)c1 58423433 RYQQCEPCUUHRHJ-UHFFFAOYSA-N 415.522 4.991 0 40 HJAB Cc1cc(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)c2nc3n(c2n1)CCCCC3 65474900 FNOQDPZQGYDAIL-UHFFFAOYSA-N 409.509 4.702 0 40 HJAB COc1ccc(-c2noc(C3(c4cccc(C(F)(F)F)c4)CCOCC3)n2)cc1 69968782 BPQZRWAUBKUXEB-UHFFFAOYSA-N 404.388 4.861 0 40 HJAB C[C@@H]1CN(c2ccccc2NC(=O)CSc2nc3ccccc3s2)C[C@@H](C)O1 70040164 YGLNTWROKBJIFJ-HUUCEWRRSA-N 413.568 4.641 0 40 HJAB Cc1sc2nc(-c3cccs3)nc(N3CCCN(c4cccnn4)CC3)c2c1C 84065501 QXZPMGNMHJIORK-UHFFFAOYSA-N 422.583 4.543 0 40 HJAB CCc1cc(=O)c2cc(NC(=O)c3ccccc3C(=O)c3ccc(C)cc3)ccc2[nH]1 95465574 DBWSJXHISQFSIP-UHFFFAOYSA-N 410.473 4.882 0 40 HJAB COc1cccc(-c2ccc(C(=O)Nc3ccc(N4CC[C@@H](OC)C4)cc3)cc2)c1 96122238 RCSKPNQFQSFOJO-XMMPIXPASA-N 402.494 4.840 0 40 HJAB C[C@@H](NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)[C@H]1C[C@@H]2CC[C@@H]1C2 101988258 DVINDJUGXNNONL-AAVRWANBSA-N 418.419 4.563 0 40 HJAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 102223709 CQUVHIVQIVAWJC-HRCADAONSA-N 418.946 4.906 0 40 HJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccccc1Br 219453666 KILYDVAHLQCQNX-UHFFFAOYSA-N 409.283 4.981 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1cccc2ccccc12 222580606 WEUISHWKOQXREG-QGZVFWFLSA-N 408.929 4.589 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 224616781 FIAXCRBPRABMGP-XMMPIXPASA-N 408.586 4.816 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 224632958 GWYVMVAYNZXVDG-KRWDZBQOSA-N 418.990 4.517 0 40 HJAB Cc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(I)c1 225028825 AXOSOPNAVMZTPS-INIZCTEOSA-N 421.278 4.632 0 40 HJAB CC(C)CSc1nnc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)s1 225062068 KRZOIQPHYYCTAH-UHFFFAOYSA-N 412.389 4.535 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 225193491 UTTPIMDTCNHMTO-OAQYLSRUSA-N 418.940 4.664 0 40 HJAB COC(=O)c1cccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c1 225610115 YIJBJHZXABSHGB-UHFFFAOYSA-N 408.976 4.737 0 40 HJAB COC(=O)c1c(C)n(C(=O)c2cc(Br)ccc2Cl)c2ccccc12 226366862 UPUWZXCHTSQXNI-UHFFFAOYSA-N 406.663 4.841 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)n(C)n1 257241413 HXYUOJUWUJJHNT-LJQANCHMSA-N 412.921 4.753 0 40 HJAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)COc3ccccc3F)o2)c1 257296239 RBWAJZPWZPYGJD-OAQYLSRUSA-N 424.472 4.546 0 40 HJAB O=C1CCc2cc(C(=O)N3CCC[C@@H](c4cccc(C(F)(F)F)c4)C3)c(F)cc2N1 570522008 UHHTUYDPHMFISJ-OAHLLOKOSA-N 420.406 4.749 0 40 HJAB Cc1ccc(CN2C(=O)CC[C@]23CCCN(c2ncnc4ccsc24)CC3)cc1 585100083 FHKORIRMPZMWNO-QHCPKHFHSA-N 406.555 4.551 0 40 HJAB COC1CCC(C(=O)N2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)CC1 643550517 JIFKRGDSXZDJTG-UHFFFAOYSA-N 414.575 4.501 0 40 HJAB Cc1nc(-c2cccc(C(=O)Nc3nc(-c4ccc5ccccc5n4)n[nH]3)c2)cs1 647772414 UNKGOYUCERVWIB-UHFFFAOYSA-N 412.478 4.704 0 40 HJAB Cc1ccc([C@H](NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)c2ccccn2)cc1 685841306 VMLNOMLPYJLUAV-XXBNENTESA-N 405.929 4.776 0 40 HJAB Cc1cc(C)c2cc(C(=O)N[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3)[nH]c2c1 1543441917 MXSQVTIKBSQXOM-MRXNPFEDSA-N 401.432 4.812 0 40 HJAB CCS(=O)(=O)Nc1ccc(NC(=O)NCC[C@@H]2C[C@H](C)CC(C)(C)C2)cc1C 1668316339 IDXYWSCWDVXJLH-DOTOQJQBSA-N 409.596 4.731 0 40 HJAB COc1ccc(C(=O)c2sc3nc4c(c(-c5cccnc5)c3c2N)CCC4)cc1 663669 XOGHRIMDOQEKNQ-UHFFFAOYSA-N 401.491 4.669 0 40 HJAB CCOC(=O)c1sc(NC(=O)CSc2nc3c(C)cccc3cc2C)nc1C 875718 WOFSGVFDNLDOTL-UHFFFAOYSA-N 415.540 4.524 0 40 HJAB Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1Cc1ccccc1 2437529 ABBDZPMYYJDWCI-UHFFFAOYSA-N 400.482 4.705 0 40 HJAB Cc1cccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 2447521 YUAYUXGHUCUBGL-UHFFFAOYSA-N 409.902 4.508 0 40 HJAB CCOc1ccc(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 2626917 YRGTWPYFMZEHKA-UHFFFAOYSA-N 405.479 4.901 0 40 HJAB CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cccc(Br)c3)cc12 3165571 SLSNSDOBMBPZJW-UHFFFAOYSA-N 416.271 4.645 0 40 HJAB biogenic CCc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 3216471 OKLAAFUGQDAYPH-UHFFFAOYSA-N 421.880 4.929 0 40 HJAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ccc(OC(F)F)cc1 3361285 KEAPFLGQUWCHLB-UHFFFAOYSA-N 411.813 4.952 0 40 HJAB COc1ccccc1OCC(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 3655398 DUQMDZHIDQDORF-UHFFFAOYSA-N 401.418 4.690 0 40 HJAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H](C(=O)O)[C@@H]([C@@]3(C)CCCC[C@H]3C(=O)O)CC[C@]12C 3850285 BWPVHESSENIYDR-MSAOFXRQSA-N 422.562 4.912 0 40 HJAB O=C1OC(c2ccccc2Br)=N/C1=C\c1cccc(Br)c1 4589090 RCYPJFHWFIXEPZ-ZROIWOOFSA-N 407.061 4.556 0 40 HJAB O=C(CCCc1ccccc1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc(Cl)cc1 4832226 KPMIBWVQJRFUJA-IBGZPJMESA-N 410.823 4.659 0 40 HJAB COC(=O)c1cccc(CSc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)c1 5237620 WTXSYKGUHSDVHT-UHFFFAOYSA-N 408.504 4.731 0 40 HJAB Clc1ccc2c(c1)C1=C([C@@H](c3ccccc3)O2)[C@@H](c2cccnc2)N2NC=NC2=N1 5516448 BCWVHXCPRQTUQB-FGZHOGPDSA-N 413.868 4.539 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc(F)c(F)c1 5887371 JGPLWFYBUFGIAD-UHFFFAOYSA-N 412.421 4.536 0 40 HJAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 6414823 DSKWRBCBNYTZJV-YLJYHZDGSA-N 406.555 4.721 0 40 HJAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(CN(CC)CC)cc2)c1 6629139 ZBFLYWTUIUUNBX-UHFFFAOYSA-N 413.587 4.834 0 40 HJAB CCc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3)c2=O)cc1 6739265 FBYWHVPSONUXIT-UHFFFAOYSA-N 412.514 4.978 0 40 HJAB CC(C)(C)c1ccc(OCCSc2nnc(-c3ccccc3Cl)n2N)cc1 6906446 VTUAIOHYCAEUDF-UHFFFAOYSA-N 402.951 4.781 0 40 HJAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1cccc(C(F)(F)F)c1 8709157 RYEZPJVOTCOPDF-UHFFFAOYSA-N 416.852 4.548 0 40 HJAB CC(C)c1ccc(NC(=O)[C@H](NC(=O)N2CC(O)=Nc3ccccc32)C(C)C)cc1 8738667 YIKAIPQGIUBTPT-OAQYLSRUSA-N 408.502 4.591 0 40 HJAB O=C(Nc1ccc(-c2nc3ncccc3o2)c(Cl)c1)c1ccc2c(c1)OCCO2 8993688 CFGRBTJHKSEWDH-UHFFFAOYSA-N 407.813 4.567 0 40 HJAB Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@@H](c2ccccc2)N(Cc2cccnc2)C3=O)c1 9111038 ZWRCQWRYRKPGEW-HSZRJFAPSA-N 410.477 4.540 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1NC(=O)c1ccc(C)cc1 10059475 UUAFZCOMWUCDIO-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)cc1C 10325168 UAALYZJTDWCNMA-SFHVURJKSA-N 420.534 4.696 0 40 HJAB CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 11566019 CHFGYVPVQNTHCW-UHFFFAOYSA-N 405.516 4.796 0 40 HJAB COc1cc(CNc2ncc(-c3cc(C)no3)c(-c3ccc(C)o3)n2)cc(OC)c1 12185981 PEGKNWTZXLOFRF-UHFFFAOYSA-N 406.442 4.638 0 40 HJAB CN(C)c1ccc(-c2nnc3sc(C(C)(C)Oc4ccc(Cl)cc4)nn23)cc1 13842969 KNKFUPASQCREAZ-UHFFFAOYSA-N 413.934 4.886 0 40 HJAB Cn1cc(CN2CCCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)cn1 19083336 GLIYEULSAYDNTI-FGTMMUONSA-N 424.515 4.678 0 40 HJAB C[C@@H](NC(=O)Cn1c(-c2ccccn2)nc2ccccc21)c1nc2ccccc2s1 19459874 VEBFEVNPYLMJHH-OAHLLOKOSA-N 413.506 4.585 0 40 HJAB O=C(O)c1ccc(Cl)cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 20267970 POEBNJMAJFJJES-UHFFFAOYSA-N 414.188 4.511 0 40 HJAB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 20366223 PWBRHLZBEAGJCT-DTQAZKPQSA-N 412.533 4.623 0 40 HJAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C)cc2)n1 23012640 DLAWMWKLZYTMJO-UHFFFAOYSA-N 415.522 4.991 0 40 HJAB COc1ccc(OC)c(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1 24991584 BMMTVDKWXXLDJS-KRWDZBQOSA-N 418.493 4.789 0 40 HJAB CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 28206564 IHRJPMVUQWWLJV-UHFFFAOYSA-N 420.534 4.814 0 40 HJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(OCC)c4ncccc34)no2)cc1 32622561 AKCBFPHDDUDSTK-UHFFFAOYSA-N 403.438 4.940 0 40 HJAB COc1ccccc1[C@@H](CNC(=O)c1ccc2c3c(cccc13)CC2)N1CCCC1 32902427 XWXDSGLHHBQHAZ-HSZRJFAPSA-N 400.522 4.514 0 40 HJAB COCc1nn2c(C)c(C(=O)Nc3ccccc3)cnc2c1-c1cccc(Cl)c1 38829809 OSNRTZFZUCGXRZ-UHFFFAOYSA-N 406.873 4.757 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1OCC 39753492 LRSOPVNOSSPRIE-LJQANCHMSA-N 410.558 4.573 0 40 HJAB CN(CCOc1ccccc1F)C(=O)CCc1nc2ccccc2n1-c1ccccc1 39998482 QLALSUUZCRPDNB-UHFFFAOYSA-N 417.484 4.635 0 40 HJAB O=C(Nc1ccncc1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 44893217 CZIKRQYZUSSVGF-JOCHJYFZSA-N 403.526 4.905 0 40 HJAB CC(C)Oc1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44916455 SLMZOWVSDVZZCP-QFIPXVFZSA-N 412.549 4.574 0 40 HJAB CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 45767924 RUOYVROGPDHYGU-PMACEKPBSA-N 405.325 4.924 0 40 HJAB Cc1cc(-c2cc(C(=O)N(Cc3ccccn3)C(C)C)c3c(C)noc3n2)c(C)o1 48277584 KZKBYMIGZVXEFX-UHFFFAOYSA-N 404.470 4.854 0 40 HJAB COc1ccc(-c2c(C)c3ccc4c(c3oc2=O)CN(Cc2ccncc2)CO4)cc1 54313565 PIGUMLRAUDONQW-UHFFFAOYSA-N 414.461 4.524 0 40 HJAB biogenic O=C(Cc1ccc(F)cc1)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C12CCCCC2 57773927 JCJRDRMQBOUQLG-ISKFKSNPSA-N 406.545 4.662 0 40 HJAB Cc1cc(C)cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c1 67292757 PAFBBDBULNEGOU-HGFVNXKRSA-N 410.901 4.844 0 40 HJAB Cc1ccccc1-n1nc(C)c(CN2CCC([C@@]3(C)CCCCN(C)C3=O)CC2)c1C 72372000 PSJYNJCFGSXIHL-AREMUKBSSA-N 422.617 4.658 0 40 HJAB Cc1cc(C)c(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c(C)c1 98211328 NJDSOFUMBIYJJR-UHFFFAOYSA-N 404.445 4.908 0 40 HJAB CCn1/c(=N/C(=O)c2ccc(Br)s2)sc2c(C)ccc(OC)c21 100823915 YWFHYYIDFHMRGA-VLGSPTGOSA-N 411.346 4.605 0 40 HJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 216342167 SITMLMVOYMIYPU-QHCPKHFHSA-N 420.484 4.594 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1Cc1ccccn1 223551584 DYZFTPBDWVDEDX-DHIUTWEWSA-N 412.518 4.909 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1Cc1ccccn1 223557921 PSCQEFCCERNXMU-DHIUTWEWSA-N 417.582 4.956 0 40 HJAB Cc1cccc(CN(C(=O)COc2ccccc2C(C)C)[C@H](C)C(=O)NCC(C)C)c1 224173216 XWFGGOKXQOWOLB-OAQYLSRUSA-N 424.585 4.687 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 224420783 NFGPWXNODQOTMW-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccccc1OC 224583677 NOCLNTOKDTUXBA-UHFFFAOYSA-N 409.457 4.742 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 224734907 LGANMUNAWHVRKW-OAQYLSRUSA-N 408.586 4.995 0 40 HJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)s2)c(OC)c1 224794772 QEWRLNWFGXJSLH-WOJBJXKFSA-N 411.552 4.646 0 40 HJAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)c1 224829826 XTYWVHYSOIMCCT-VXKWHMMOSA-N 422.554 4.658 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1cc(Br)ccc1Cl 225069377 KGJQPHLUGSKOJQ-UHFFFAOYSA-N 407.695 4.591 0 40 HJAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)cc1 225566997 UNZIFTNIJNCZTR-GOSISDBHSA-N 400.950 4.523 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 225641889 VCSNLTMVMFDAEG-IERDGZPVSA-N 418.940 4.744 0 40 HJAB Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1N1CCCC[C@@H]1C 226330391 FFAZJTSFTRCCKE-AWEZNQCLSA-N 402.336 4.971 0 40 HJAB COc1ccc([C@H]2C[C@@H](NC(C)=O)CC3(CCCCC3)O2)cc1CN1CCCCC1 257217936 DBEPACHNRFTYNT-ISKFKSNPSA-N 414.590 4.740 0 40 HJAB Cc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)c2c(C)noc2n1 257271624 MZCCCGCOMBPHCN-IBGZPJMESA-N 420.444 4.535 0 40 HJAB Cc1ccc(Cc2ccc([C@H]3CCCN3C(=O)COc3ccc(F)cc3)nc2)cc1 257332293 XWQQECPUALPMCR-XMMPIXPASA-N 404.485 4.862 0 40 HJAB O=C(c1ccsc1)N1C[C@@]2(CCN(Cc3ccc(Cl)cc3)C2)c2ncccc21 306133815 MWZUCQGTFQYNSJ-QFIPXVFZSA-N 409.942 4.601 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1NC(=O)c1ccc(C)cc1 408559009 VALDUQGNUHCZEL-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CCCN1C(=O)/C(=C\c2cc(Br)c(O)c(OCC)c2)c2ccccc21 409120033 SNDLGTHKLWWHQD-GDNBJRDFSA-N 402.288 4.851 0 40 HJAB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccccc3)o2)C1=O 409203879 ZNQNTLQHCZDNPX-VBKFSLOCSA-N 417.508 4.810 0 40 HJAB CCC(CC)C(=O)N1CCCCN(CC)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21 643550499 AQSHAPFBAPHXEZ-GGAORHGYSA-N 414.590 4.897 0 40 HJAB COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCCCCC4)c3N2)c1 884175 DIJVYYCCNRBEMD-MSOLQXFVSA-N 422.451 4.568 0 40 HJAB COc1ccc(NC(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 1353112 SQYDLKGYMUPHRT-UHFFFAOYSA-N 417.465 4.672 0 40 HJAB CCCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCCC2 2736294 SDHULOMOZARWNC-CSKARUKUSA-N 413.495 4.574 0 40 HJAB C[C@H](NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1 3275219 RDIWFDXHVFGTFU-INIZCTEOSA-N 416.502 4.998 0 40 HJAB CN(C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1)c1ccccc1 3293186 GKDQCFZRGHTFCD-UHFFFAOYSA-N 418.497 4.829 0 40 HJAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(OC(F)F)cc2)s1 3313852 BWVKYGRTGHWNLJ-UHFFFAOYSA-N 422.482 4.922 0 40 HJAB CCn1c(COc2ccccc2C(C)C)nnc1SCC(=O)NC1CCCCC1 4736378 IWWCTAJQADVFSX-UHFFFAOYSA-N 416.591 4.541 0 40 HJAB Cc1ccc2sc(N(CCN(C)C)C(=O)CSc3ccc(F)cc3)nc2c1C 5239680 GBPMLEFQKIQVPZ-UHFFFAOYSA-N 417.575 4.739 0 40 HJAB CCCCCCOc1ccc(NC(=O)c2c(O)n(CC)c3ccccc3c2=O)cc1 5733052 DEHOMQLDNGYRMG-UHFFFAOYSA-N 408.498 4.938 0 40 HJAB O=C(Nc1ccccc1)c1cc(Cl)ccc1OCC(=O)N1CCc2ccccc21 6126939 RKFWQVFEVPCIJT-UHFFFAOYSA-N 406.869 4.560 0 40 HJAB O=C(CSc1ncnc2ccccc12)N[C@H](c1ccc(F)cc1)c1cccs1 7151885 LOLBPMHTZMATNF-HXUWFJFHSA-N 409.511 4.828 0 40 HJAB COc1ccccc1CN(C)C(=O)c1ccccc1CSc1nc(C)cc(C)n1 7737621 VZKGOIOREWBFGQ-UHFFFAOYSA-N 407.539 4.667 0 40 HJAB C[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(-n2ccnc2)cc1 7989078 MBNULLOTUCDEPM-MRXNPFEDSA-N 416.506 4.677 0 40 HJAB COc1cc(CNn2cn[nH]c2=S)cc(Cl)c1OCc1ccccc1Cl 8470444 VYBUUUHERAKGAM-UHFFFAOYSA-N 411.314 4.579 0 40 HJAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2)cc1 8496591 JKOTYRFFGNLEMR-UHFFFAOYSA-N 418.522 4.939 0 40 HJAB Cc1ccc([C@H](NC(=O)CSc2nnc(C3CC3)n2C2CC2)c2cccs2)cc1 8936379 CREUCENJRLIAMA-FQEVSTJZSA-N 424.595 4.858 0 40 HJAB COc1ccc(-c2cc(OC(=O)COc3ccc(C)cc3)cc3sc(=O)oc23)cc1 9430705 SXBCVYWTSJRZKD-UHFFFAOYSA-N 422.458 4.823 0 40 HJAB CSc1ncc(Cl)c(C(=O)Nc2nnc(SCc3ccccc3C)s2)n1 9431756 FEKJNWHWODAOGB-UHFFFAOYSA-N 423.976 4.556 0 40 HJAB Cc1ccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)cc1 9569456 MPCFJFWJVAPAAX-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1 12293482 KAJQPPIXJILCML-DNQXCXABSA-N 403.522 4.532 0 40 HJAB Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1 12441139 XVGRVBRPASHXDZ-UHFFFAOYSA-N 416.308 4.944 0 40 HJAB C[C@@H](Sc1nnc2n1CCCCC2)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 12686143 QTMJPBBRJIXLRM-CYBMUJFWSA-N 423.567 4.823 0 40 HJAB CC(=O)c1c(C)nc(C)nc1SCCCc1nc(-c2ccc(C)c(F)c2)no1 12763782 PERFDVKVUUYUGH-UHFFFAOYSA-N 400.479 4.518 0 40 HJAB CC[C@H](OC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)C(=O)Nc1ccc(F)cc1 12872022 DZRJBVXSDGBLFQ-IBGZPJMESA-N 409.413 4.862 0 40 HJAB Cc1ccc(NC(=O)c2ccsc2)cc1S(=O)(=O)Nc1ccccc1Cl 12973296 BRQVWUIWAIHYJO-UHFFFAOYSA-N 406.916 4.763 0 40 HJAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(Cl)c2)N1Cc1ccco1 13126945 SUBFUFJBWSGAKT-NRFANRHFSA-N 405.841 4.774 0 40 HJAB COc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)c1OC 15081528 GPERPDKXLVXDHU-AWEZNQCLSA-N 409.463 4.605 0 40 HJAB CCOc1ccc(NC(=O)CSc2nccn2Cc2ccccc2Cl)cc1 15825481 BVGQLIILRXTBMF-UHFFFAOYSA-N 401.919 4.714 0 40 HJAB COc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)c1OC 16960747 RLLBHKFPJFDZPO-UHFFFAOYSA-N 422.506 4.611 0 40 HJAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2)n2nc(-c3cccc(C)c3)nc2N1 17135539 IKNVPFSIVRVUQL-QFIPXVFZSA-N 422.492 4.576 0 40 HJAB COc1ccc(CN2CCC[C@@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c(F)c1 19116893 VKWWRXWMISLRJJ-QGZVFWFLSA-N 408.399 4.541 0 40 HJAB Cc1cnccc1CN1CCC[C@H]([C@H]2C[C@@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 19239514 HQGVALUAZOPNKE-OTWHNJEPSA-N 417.548 4.787 0 40 HJAB O=C(c1cc2ccccc2nc1C1CCN(Cc2ccc(F)cc2)CC1)N1CCCC1 19376240 IDGJUDXEKRRDMH-UHFFFAOYSA-N 417.528 4.990 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCN2C(=O)c2ccc(COC)cc2)n1 19525676 CERYFJQQBKCHIM-QFIPXVFZSA-N 416.525 4.615 0 40 HJAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2ccccc2Cl)C1 19591742 ILBLIFNHCVMFIW-RUZDIDTESA-N 419.956 4.583 0 40 HJAB COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2cc(C3CC3)nc3ccccc23)cc1 19663509 NWIQRNGTEQFWOF-VWLOTQADSA-N 424.504 4.632 0 40 HJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)Cc1ccc(Br)cc1 20137195 UTRASEMDGHDCIM-UHFFFAOYSA-N 400.272 4.691 0 40 HJAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCC(c4noc5cc(F)ccc45)CC3)c2c1 20729885 APHRVQCJLDDDGL-QFIPXVFZSA-N 407.445 4.762 0 40 HJAB COc1c(C)cc(Br)cc1C(=O)Nc1c(Cl)ccc2nsnc12 21595769 OIPDHLAUZAPFEF-UHFFFAOYSA-N 412.696 4.677 0 40 HJAB COc1ccc(-c2nc3cc(NC(=O)c4ccc5nsnc5c4)ccc3o2)cc1 21595843 DDWJTLAATCYIDX-UHFFFAOYSA-N 402.435 4.760 0 40 HJAB Clc1ccccc1COc1ccc2ccccc2c1CNCCCN1CCOCC1 22074038 INJIEKXNCXACLS-UHFFFAOYSA-N 424.972 4.884 0 40 HJAB CC1CCN([C@H](c2ccccc2F)c2sc3nc(-c4ccco4)nn3c2O)CC1 22852109 CVCOZPUTGUPQMY-QGZVFWFLSA-N 412.490 4.717 0 40 HJAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2coc(-c3ccc(C)cc3C)n2)C1=O 24764070 ZJMVDGUHUPZDKB-HSZRJFAPSA-N 423.900 4.969 0 40 HJAB Cc1ccc([C@H](CNC(=O)COc2cccc(Cl)c2)N2CCCCCC2)cc1 27584119 YZJJWJQOXDBQMZ-QFIPXVFZSA-N 400.950 4.761 0 40 HJAB C[C@H](Sc1nnc(-c2ccncc2)o1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 28085624 WAIPFKZRXWGDEQ-JTQLQIEISA-N 423.479 4.543 0 40 HJAB CCCn1c(SCC(=O)c2ccc(CNC(C)=O)s2)nc2cc(Cl)ccc21 31711799 CHOCTCGKAXILPB-UHFFFAOYSA-N 421.975 4.772 0 40 HJAB Cc1nn(CC(C)C)c2sc(C(=O)O[C@@H](C)C(=O)Nc3c(F)cccc3F)cc12 32776173 XHIPGAYTSUBMGS-LBPRGKRZSA-N 421.469 4.524 0 40 HJAB Cc1nc(SCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)sc1CC(N)=O 32871344 OEZRLCWSDYFLSE-UHFFFAOYSA-N 421.547 4.603 0 40 HJAB COc1cc(CN(C)C(=O)c2ccc(-c3ccccc3)nc2C)ccc1OC(F)F 36623042 NPXICQWMTQYWIC-UHFFFAOYSA-N 412.436 4.939 0 40 HJAB O=C(c1ccc(-n2cc[nH]c2=S)cc1)N1CCC(c2nc3ccccc3o2)CC1 40119542 WRKOUUUFPZUBIV-UHFFFAOYSA-N 404.495 4.696 0 40 HJAB COCCN(C(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2)c1nc2ccccc2s1 44469235 QOOXACBTTBPILS-UHFFFAOYSA-N 412.511 4.646 0 40 HJAB CN(Cc1nc2ccccc2n1C(F)F)Cn1nc(-c2cccs2)[nH]c1=S 48310554 UAAFWWIYGJQZJH-UHFFFAOYSA-N 406.487 4.503 0 40 HJAB COc1cc(Nc2cc(C(=O)N3CCCCC3)nc3c(OC)cccc23)cc(OC)c1 49003012 RFWFEWLQYRHPKQ-UHFFFAOYSA-N 421.497 4.630 0 40 HJAB CC(C)(C)OC(=O)NC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 52450253 DENZKSMZADASCI-UHFFFAOYSA-N 410.543 4.852 0 40 HJAB Cc1ccccc1-n1ncc(C(=O)Nc2cccc(CN3CCSCC3)c2C)c1C 58112716 QKEBKLFFOIHVFP-UHFFFAOYSA-N 420.582 4.599 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)c3ccc4c(c3)OCO4)s2)cc1Cl 58203155 NALZZGLUOTUZBZ-UHFFFAOYSA-N 419.915 4.947 0 40 HJAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2C(=O)CCc2ccccc2)n1 72376906 IQHGVFQVSFNXFG-NRFANRHFSA-N 404.489 4.551 0 40 HJAB CN(C)c1ncccc1C(=O)Nc1ccc(Nc2ccc(F)cc2)c2ccncc12 83852408 BGQFTOMUJMTQPA-UHFFFAOYSA-N 401.445 4.831 0 40 HJAB CN(C)c1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c(C(F)(F)F)c1 83854241 NEVGFEYQLINNSA-UHFFFAOYSA-N 405.420 4.541 0 40 HJAB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)Cc1csc(-c2ccccc2Cl)n1 84637066 GXAWVBNAJRJYGA-LIRRHRJNSA-N 400.931 4.634 0 40 HJAB C[C@@H](CNC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)CN1CCCC1=O 84638452 WVLUNMPDSXQXRA-JTQLQIEISA-N 418.868 4.562 0 40 HJAB C[C@H]1CN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)c2ccccc21 84715170 WMYCCIJQCYIBJG-JKSUJKDBSA-N 414.347 4.609 0 40 HJAB CN(CCc1cccc2ccccc12)C(=O)NC1CCN(Cc2ccccc2)CC1 89346454 NDERPWGSKMGDMC-UHFFFAOYSA-N 401.554 4.688 0 40 HJAB Cc1c(Br)ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C[C@@H]3C[C@@H]2c2ccccc2)c1C 100394387 QFCWVRAAUSWKHF-PIOPFGHZSA-N 424.338 4.995 0 40 HJAB CCOCCn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2ccccc21 100873342 JJATUJJSERFEET-QPLCGJKRSA-N 416.546 4.999 0 40 HJAB Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C1=O 102729687 FSNRYIANYKCYPE-BHIFYINESA-N 418.880 4.700 0 40 HJAB CCOc1cccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c1 106738702 KMZYGQYMMCPDOA-WSVATBPTSA-N 417.870 4.704 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118914750 RPBAJJRDQPLSHK-XECPOYIRSA-N 406.607 4.566 0 40 HJAB S=C(Nc1cccc2ncccc12)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 208215363 PVKAJFSHLMPSIT-PLXZFBFJSA-N 418.610 4.827 0 40 HJAB CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 220005369 XIEXCWJYIURCQN-UHFFFAOYSA-N 414.571 4.846 0 40 HJAB CC[C@@H](C(=O)Nc1cccc2ccccc12)N(c1cc(C)ccc1C)S(C)(=O)=O 220530929 LPMVLSIUVBJWIB-NRFANRHFSA-N 410.539 4.640 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)cc1 222540530 FSBVITSEGIDNMG-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)n1-c1cccnc1 223090195 LQHMRTPWOISNKW-PKTZIBPZSA-N 417.582 4.881 0 40 HJAB C[C@@H](NC(=S)Nc1ncc(Br)cc1Br)c1ccccc1 223954446 RCYHZCIIYGWELC-SECBINFHSA-N 415.154 4.654 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 224223977 IVPXXGHIEHICKS-FQEVSTJZSA-N 421.368 4.788 0 40 HJAB Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC2CCCC2)cc1 225375038 YTUJCKPJGJRXDK-DHIUTWEWSA-N 418.566 4.919 0 40 HJAB Cc1ccc([C@H](NC(=S)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc2)cc1 225512394 TYTZIIUFOJXBJP-JOCHJYFZSA-N 403.551 4.773 0 40 HJAB CO[C@]1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225636696 KNHXFUCDABLGTH-YOSAUDMPSA-N 402.579 4.721 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccccc3C)no2)cc1 225816887 DYXUEIYQDDJXAN-UHFFFAOYSA-N 407.470 4.573 0 40 HJAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(Cc2noc(C(C)C)n2)cc1 226094530 XHJOORXFACIPRX-UHFFFAOYSA-N 419.510 4.863 0 40 HJAB Cc1cccc(-c2nc3sc(=Cc4ccc(-c5cccc(Cl)c5)o4)c(=O)n3n2)c1 254483144 UNHRHGKVJXSSRD-UHFFFAOYSA-N 419.893 4.588 0 40 HJAB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)o1 408638614 SVOZGNIBAKKKBH-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(C)C)cc3)C2=O)c1 409160098 XLKSYGJNODMNDM-NDENLUEZSA-N 424.522 4.705 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3)ccc2C)c1 409380741 HGQQHVJLZSXONE-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB C[C@H](NC(=O)CN(C)Cc1ccccc1N1CCCC1)c1ccc2ccccc2c1 514715158 KOOYXAAVAPBCFM-FQEVSTJZSA-N 401.554 4.749 0 40 HJAB Cc1cc(Br)ccc1NC(=O)CNCc1cccc(-c2ccncc2)c1 561438515 UFLRMWXYHJMZCO-UHFFFAOYSA-N 410.315 4.548 0 40 HJAB COc1ncc(-c2ccc3c(c2)CN(C(C)C)CCCCCCCN3C(C)=O)cn1 643578743 ORXYPCPNQMLWTK-UHFFFAOYSA-N 410.562 4.680 0 40 HJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)ccc2C)cc1 2640787 YRFXVUDFLPEXSS-UHFFFAOYSA-N 408.523 4.771 0 40 HJAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccccc1Cl 3219301 YMIJIQBWGVPZTP-UHFFFAOYSA-N 406.825 4.944 0 40 HJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)[C@@H](C)[C@H](O)c3ccccc3)cc12 3235864 SNCBQDISOXPOKY-KKSFZXQISA-N 405.523 4.590 0 40 HJAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1cc(C(F)(F)F)ccc1Cl 3317189 IENBKQMNAYJJGI-UHFFFAOYSA-N 408.763 4.703 0 40 HJAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(I)cc1 3437865 SCOMGMAJEHWELR-UHFFFAOYSA-N 420.077 4.870 0 40 HJAB Cc1ccc(S(=O)(=O)Oc2ccc3oc(=O)c(-c4ccccc4)c(C)c3c2)cc1 4340678 WIJAPPUMJUDTLS-UHFFFAOYSA-N 406.459 4.845 0 40 HJAB biogenic CC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1C 4870659 UMIUYFGHTSGQNR-UHFFFAOYSA-N 401.890 4.725 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1cc(Cl)ccc1F 5359828 MEJGDRAWYVYNTC-UHFFFAOYSA-N 408.911 4.865 0 40 HJAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)n(C2CCCCC2)c1C 6973356 NZVXQAGFBYGEQG-HNNXBMFYSA-N 401.532 4.853 0 40 HJAB Cc1nc(-c2ccc(NC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cc2)cs1 9114572 MGGVBGLYTQXCDI-BEFAXECRSA-N 405.523 4.667 0 40 HJAB CCN1C(=O)c2cc(NC(=O)COc3ccc(F)cc3)ccc2Oc2ccccc21 9134732 ASGMWACSXAOASO-UHFFFAOYSA-N 406.413 4.616 0 40 HJAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)C(=O)c1ccc2ncsc2c1 9387834 JJVMRCSHNPWLPU-GOSISDBHSA-N 402.903 4.716 0 40 HJAB O=C(CSc1ccc(-c2ccncc2)nn1)Nc1cc(C(F)(F)F)ccc1Cl 10221045 CRLMZXCGDCCYPB-UHFFFAOYSA-N 424.835 4.942 0 40 HJAB COc1ccc(Cc2nnc(S[C@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cc1 11649188 KNJARVXSXZFXFL-LLVKDONJSA-N 421.881 4.581 0 40 HJAB O=C(Nc1ccc2c(c1)OCO2)c1cccnc1Nc1cccc(C(F)(F)F)c1 12428828 HMWBEYYMVUNEDJ-UHFFFAOYSA-N 401.344 4.825 0 40 HJAB CC(C)n1ncc2cc(C(=O)Nc3ncc(Cc4ccc(F)c(F)c4)s3)cnc21 12777927 QGJYRFVGBSHLPF-UHFFFAOYSA-N 413.453 4.590 0 40 HJAB Cc1cc(Br)ccc1NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 13012460 PWRWPRRRPUNSHP-UHFFFAOYSA-N 418.287 4.520 0 40 HJAB CCN1CCc2c(sc(NC(=O)c3cc(C)no3)c2-c2nc3ccccc3s2)C1 13595637 RENMUIDKFUNGCO-UHFFFAOYSA-N 424.551 4.952 0 40 HJAB O=C(Nc1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCO2 14181649 GCJNLSRJIMDIFE-UHFFFAOYSA-N 418.840 4.569 0 40 HJAB Cc1c(-c2ccccc2)sc(NC(=O)CC(C)(C)C)c1C(=O)N1CCOCC1 14389857 KTLSJMABKAJVSX-UHFFFAOYSA-N 400.544 4.571 0 40 HJAB CCOc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1 16841462 OFKFVPHEMAUBNF-UHFFFAOYSA-N 422.485 4.665 0 40 HJAB CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc(Cl)cc1 16843824 IQRKFDKLTCOLIS-UHFFFAOYSA-N 415.877 4.605 0 40 HJAB Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5C)oc4C)ccn3n2)cc1 17051467 VYQPHGQJEPNLJF-UHFFFAOYSA-N 410.477 4.792 0 40 HJAB CCC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 17088152 NGJQWVPKBLRUTJ-OAHLLOKOSA-N 408.951 4.676 0 40 HJAB Cc1nc2ccccn2c1CC(=O)N1CCC(c2ccc(Cc3ccccc3)cn2)CC1 19690466 SUNVCZRBBNOESG-UHFFFAOYSA-N 424.548 4.577 0 40 HJAB Cc1nn(C)cc1-c1csc(NC(=O)c2sc(-c3ccccc3F)nc2C)n1 19714487 DTHSDSOUHXJQGR-UHFFFAOYSA-N 413.503 4.675 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CCN(c2ccccn2)CC1 20375012 CPJXNUFCCLRDAJ-RUZDIDTESA-N 410.521 4.618 0 40 HJAB Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(F)cc2)C4)cc1 20671480 LUBBXTOGAASGHU-QGZVFWFLSA-N 418.497 4.777 0 40 HJAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 22512894 IWBGZUNJUKLDER-INIZCTEOSA-N 413.495 4.536 0 40 HJAB COc1cc(CNC[C@H](Cc2ccccc2)N(C)C)ccc1OCc1cccs1 23247705 HWFLBKLRFUUAHJ-NRFANRHFSA-N 410.583 4.598 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccc(OC(F)(F)F)cc1 25214193 JLHRFKMHZHDWDN-LLVKDONJSA-N 402.800 4.995 0 40 HJAB CCCOc1ccccc1C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCCC1 27793808 DPAJZFOUGYEPLZ-HSZRJFAPSA-N 410.558 4.831 0 40 HJAB biogenic O=C(c1ccc(CNC(=O)C2(c3cccc(Cl)c3)CCCC2)cc1)N1CCCC1 32058007 VVZXYDZKAAHLLE-UHFFFAOYSA-N 410.945 4.704 0 40 HJAB O=C(CSc1nc2ccccc2s1)Nc1cccc(OC[C@H]2CCCO2)c1 32776630 DXFWCQXSZOFTHR-MRXNPFEDSA-N 400.525 4.585 0 40 HJAB O=C(c1ccc(Br)cc1)c1nc(-c2ccc(Br)cc2)c[nH]1 34585023 ULCKEQUOKSHXJR-UHFFFAOYSA-N 406.077 4.833 0 40 HJAB Cc1nc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)cc(-n2cccn2)n1 35597363 VHMHOHUAIRQLNW-UHFFFAOYSA-N 422.851 4.759 0 40 HJAB O=c1[nH]c(Nc2ccc(Oc3ccccc3)cc2)nc2nccc(-c3cccnc3)c12 36353676 HGOWZQBPRHEOLU-UHFFFAOYSA-N 407.433 4.916 0 40 HJAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1 40128878 ZRCREHXMNFLEHN-UHFFFAOYSA-N 420.943 4.898 0 40 HJAB Cc1cccc(NC(=O)Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)n1 40143999 ORDWNPUGGBRYQN-UHFFFAOYSA-N 424.298 4.586 0 40 HJAB CC(=O)N(CCC(C)C)c1nc(C)c(C(=O)Nc2nc3ccccc3s2)s1 40283987 ZUIJPPJKTYHFGG-UHFFFAOYSA-N 402.545 4.713 0 40 HJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)[C@H](C#N)c1nc2ccccc2s1 41504710 GRAXGQHSRMTOOZ-HNNXBMFYSA-N 406.898 4.993 0 40 HJAB Cc1cc(CN2CCC(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)c(C)o1 43972820 QFRVPNXIDFIFIV-UHFFFAOYSA-N 418.965 4.736 0 40 HJAB Cc1ccc(OCCC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c(C)c1 48299972 MQCUAOYLEVMHRI-JOCHJYFZSA-N 403.526 4.511 0 40 HJAB O=C1c2ccccc2C(=O)N1CCCCSCc1cccc(Br)c1 58157779 WBYMEEIQTDFHPZ-UHFFFAOYSA-N 404.329 4.759 0 40 HJAB COc1ccc(-c2nc(C)cc(SCC(=O)NCc3ccc(Cl)cc3)n2)cc1 67257673 UIHMZPDNBJYGHD-UHFFFAOYSA-N 413.930 4.523 0 40 HJAB Cc1ccc(CSc2ncc3c(n2)-c2ccc(Cl)cc2N(C)S3(=O)=O)cc1 67260193 XAADNCKLGINGRW-UHFFFAOYSA-N 417.943 4.536 0 40 HJAB Brc1ccc(Cc2nnc(Cc3ccc(Br)cc3)o2)cc1 73634406 XOLCYAKXIVPWFO-UHFFFAOYSA-N 408.093 4.776 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177439 VZBRPWKXDQVNEC-HNNXBMFYSA-N 420.513 4.774 0 40 HJAB Cc1ccnc([C@H](Nc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)C2CC2)n1 95446202 IRWJLKYSWRHWSO-LJQANCHMSA-N 414.538 4.904 0 40 HJAB FC(F)Oc1ccccc1[C@H]1C=C(c2cccc(Br)c2)Nc2ncnn21 101641777 MSIZLPNHZFECQM-OAHLLOKOSA-N 419.229 4.698 0 40 HJAB CCOc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1OC 102606858 RIMSCSPMGBPCQV-SBUREZEXSA-N 416.481 4.751 0 40 HJAB CCOc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 108050678 VBGNCHSOIDTUKD-QHCPKHFHSA-N 422.506 4.705 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1O 214718783 HSOIZBHMSSQHCE-LZYBPNLTSA-N 410.278 4.944 0 40 HJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 222775471 SBVPRIWFOPXJNK-RBUKOAKNSA-N 400.910 4.657 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C 224664564 IOKVSABMDKXKNP-HSZRJFAPSA-N 424.585 4.570 0 40 HJAB CC(C)OCCCNC(=O)Cc1ccc2c(c1)C[C@@](C)(Cc1ccc(Cl)cc1)O2 257313298 URSNEIWZWKHRBF-XMMPIXPASA-N 415.961 4.750 0 40 HJAB O=C(c1ccsc1)N1CCC[C@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 306124939 CCRFICFRUWPMJS-KRWDZBQOSA-N 406.486 4.617 0 40 HJAB CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 409107431 PPIWRMDEUBOBAS-UHFFFAOYSA-N 414.962 4.909 0 40 HJAB O=C(NCCc1ccccc1Cl)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 1676159895 PSYRGJLLUMFUFH-OAQYLSRUSA-N 414.958 4.889 0 40 HJAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2cccnc2)cc1 873212 AOTHRAHRVWTJQZ-UHFFFAOYSA-N 415.522 4.677 0 40 HJAB Cc1nc(SCC(=O)N2c3ccccc3C[C@@H]2C)c2c3c(sc2n1)CCCC3 1223147 JBTIPPLEEBVFSU-ZDUSSCGKSA-N 409.580 4.948 0 40 HJAB COc1ccc2c(C)cc(SCC(=O)c3cc(OC)c(OC)c(OC)c3)nc2c1 1465774 OUPFSPZFXCJYGG-UHFFFAOYSA-N 413.495 4.553 0 40 HJAB CC[C@@]1(C)Cc2c(sc3nc(SCc4ccc5c(c4)OCO5)nc(N)c23)CO1 2296905 KUMARUNLCYIFMT-FQEVSTJZSA-N 415.540 4.536 0 40 HJAB O=C(N[C@@H](Nc1nc2ccccc2s1)C(Cl)(Cl)Cl)c1cccs1 2374342 WUONLEDDHHKSHC-LBPRGKRZSA-N 406.747 4.896 0 40 HJAB Cc1cccc(N2CCN(C(=O)COc3ccc(-c4ccccc4)cc3)CC2)c1C 2658218 IKQKKBHUVXIFLZ-UHFFFAOYSA-N 400.522 4.698 0 40 HJAB FC(F)[C@@H]1C[C@@H](c2ccccc2)Nc2c(-c3nc4c5ccccc5ncn4n3)cnn21 2806318 YSZSLBOOIXMFIT-ROUUACIJSA-N 417.423 4.504 0 40 HJAB O=C(NCCc1cccc(Cl)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 3816442 UBMPZPKMTBCPIW-UHFFFAOYSA-N 411.786 4.656 0 40 HJAB COc1cc(NC(=O)COc2ccc(C)cc2C)ccc1NC(=O)c1cccs1 4487835 PSILUVHBFQNUDW-UHFFFAOYSA-N 410.495 4.643 0 40 HJAB O=C(COc1ccc(Cl)cc1)n1nc(-c2ccco2)nc1NCc1cccs1 4783730 URBHUOUQUMWEKT-UHFFFAOYSA-N 414.874 4.584 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)N1C[C@@H](C)C[C@H](C)C1 4815603 KXGHORBXHRQSGF-TZPNTHKFSA-N 415.537 4.526 0 40 HJAB CCN(CC)CCN(C(=O)c1ccccc1OC)c1nc2c(F)cc(F)cc2s1 5122212 FYKHWFCIKVQGII-UHFFFAOYSA-N 419.497 4.572 0 40 HJAB CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Nc1cccc(C(F)(F)F)c1 5383638 FCRLCVXYXQVJFU-SFHVURJKSA-N 419.447 4.579 0 40 HJAB CCCN1C(=O)S[C@H](Cc2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 6879257 KEMVYURBNBLJMN-LJQANCHMSA-N 419.930 4.944 0 40 HJAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccnn3C3CCCC3)s2)cc1 7758399 VRDDJGZXIXSAPX-UHFFFAOYSA-N 414.560 4.633 0 40 HJAB O=C(CSc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2nccs2)c1 8191239 LGLXAJNSWVDFRH-UHFFFAOYSA-N 403.916 4.780 0 40 HJAB CCc1ccc(CN(C(=O)Nc2ccccc2OC)c2nnc3n2CCCCC3)cc1 8337940 SSVIVRUFHAEVEM-UHFFFAOYSA-N 419.529 4.814 0 40 HJAB CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc(C)cc2)CC1=O 8710275 XPONBWRYXAFAJW-HXUWFJFHSA-N 405.542 4.930 0 40 HJAB CCOC(=O)c1cnc2nc(SCc3cccc(Cl)c3)nn2c1-c1ccccc1 9304059 FXFOOMFHRXNGIS-UHFFFAOYSA-N 424.913 4.914 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)c1 9414846 VIQHFWZBSPWNMA-UHFFFAOYSA-N 423.929 4.792 0 40 HJAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2cc(F)ccc2F)s1 9508319 BNNUMAIFYYRCNE-UHFFFAOYSA-N 422.482 4.689 0 40 HJAB CCCn1cc(C(=O)Nc2ccc(C(C)C)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 9661521 GFJZMYHBQHDDOZ-UHFFFAOYSA-N 414.509 4.925 0 40 HJAB Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 9944365 JNSMFTLZJYGNDX-AWEZNQCLSA-N 420.648 4.701 0 40 HJAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1 12407549 HPELYNILAXGBMD-UHFFFAOYSA-N 419.408 4.869 0 40 HJAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc2ccccc2c1=O 12776638 PUVAAZRGGJKZSB-LBPRGKRZSA-N 421.444 4.555 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 13013820 XMLSMIJTZAQZBH-ROUUACIJSA-N 410.514 4.506 0 40 HJAB Cc1c(Cl)cccc1NC(=O)[C@H](Sc1ncnc2[nH]cnc12)c1ccccc1 13578856 XDDGPPCKTIQMTN-QGZVFWFLSA-N 409.902 4.787 0 40 HJAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21 15243269 MGNMQTICBVTCCS-UHFFFAOYSA-N 422.506 4.579 0 40 HJAB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCC[C@@H]1c1ccc(Cl)cc1 15835858 SSCYFBYJQXJCFH-MRXNPFEDSA-N 411.855 4.798 0 40 HJAB COc1cc(OC)c(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1OC 16963624 FFQPSNKOUNJBJF-QFIPXVFZSA-N 409.507 4.562 0 40 HJAB COC(=O)C1[C@H](c2ccccc2)C(C(=O)OCc2ccccc2)[C@@H]1c1ccccc1 17824678 XGDIQUYLBYNUFA-KFGJODCASA-N 400.474 4.716 0 40 HJAB COc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1NC(=O)c1ccco1 20096495 KTQKUGITSZFUEC-UHFFFAOYSA-N 404.466 4.991 0 40 HJAB COc1ccc(-c2[nH]nc3nc(-c4ccc(OC(F)F)cc4)cc(C(=O)O)c23)cc1 20134902 QYRSTLMPYAKESS-UHFFFAOYSA-N 411.364 4.600 0 40 HJAB CC(C)Oc1ccc(CNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 22514066 BQPSSPFDVCZTRJ-UHFFFAOYSA-N 400.522 4.967 0 40 HJAB COc1ccc([C@@H](NC(=O)CSc2ncnc3sccc23)c2ccccc2)cc1 25607194 CAKMMTWYSCPDGQ-FQEVSTJZSA-N 421.547 4.698 0 40 HJAB CC(=O)Nc1ccc(/C=C/C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 25903179 JAZUIENTLMYCPR-LUFJGRFYSA-N 402.519 4.894 0 40 HJAB Cc1ccc([C@H](CNC(=O)c2ccccc2Br)N2CCCCC2)cc1 27583985 YDAOTXXHHXQNFM-FQEVSTJZSA-N 401.348 4.715 0 40 HJAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1Cl 35826882 NOOBOISCKLSBGC-UHFFFAOYSA-N 408.885 4.573 0 40 HJAB C[C@H]1Cc2cc(-c3cc(CNC(=O)c4ccccc4C(F)(F)F)no3)ccc2O1 38751349 QSDBMPWALTZSNY-LBPRGKRZSA-N 402.372 4.614 0 40 HJAB CCn1c(Sc2nc(C)nc3sc4c(c23)CCC4)nnc1-c1ccccc1OC 40020252 GTGYKNWJMCQFKA-UHFFFAOYSA-N 423.567 4.927 0 40 HJAB O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(/C=C/c3ccc(Cl)cc3)c12 40388525 AZDPARNEBPMMIW-VMPITWQZSA-N 414.896 4.705 0 40 HJAB COCc1nn2c(ncc3c(=O)n([C@@H]4CCCC[C@H]4C)ccc32)c1-c1ccc(F)cc1 40397114 XUWDEYRBQBFSHM-FOIQADDNSA-N 420.488 4.748 0 40 HJAB O=c1cc(-c2ccncc2)nc2n(Cc3cccc(C(F)(F)F)c3)c3ccccc3n12 40484671 OONWYPPCBLGRDW-UHFFFAOYSA-N 420.394 4.778 0 40 HJAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2C)C12CCCCC2 49546119 HMXGKHPPCRZPQV-JOCHJYFZSA-N 406.526 4.522 0 40 HJAB COc1ccccc1N1CCN(CC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 58121387 CMRDBYBFYSJLDC-UHFFFAOYSA-N 409.574 4.703 0 40 HJAB COc1cc(-c2nn(CNc3ccc(C)c(Cl)c3)c(=S)o2)cc(OC)c1OC 59488493 WUNBURDEZTXVCH-UHFFFAOYSA-N 421.906 4.930 0 40 HJAB CCN1CCN(c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)cc2N)CC1 72229161 ZWAFSMQMFQJLKV-UHFFFAOYSA-N 414.981 4.614 0 40 HJAB CC(C)c1ccc(CCC(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 79068750 FRFFQAKQGASVPY-SFHVURJKSA-N 412.549 4.720 0 40 HJAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccc(C)o3)CC2)Oc2ccccc21 96053468 KUSMOGYYEIQHIE-HXUWFJFHSA-N 410.558 4.747 0 40 HJAB C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)N1[C@@H](C)CCC[C@@H]1C 102547399 JVQMYTVWBQRPME-AVGNSLFASA-N 423.380 4.504 0 40 HJAB COc1ccc(CNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 113952722 RBEBTJQWUYHZFC-UHFFFAOYSA-N 407.341 4.530 0 40 HJAB CC(C)c1ccc(OCC(=O)NCCCc2ccc(F)cc2)c(Br)c1 218874064 GDNADAQONUOKNP-UHFFFAOYSA-N 408.311 4.839 0 40 HJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1C 222716879 OUHXFAPKQNPSJX-UHFFFAOYSA-N 402.494 4.619 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 222815488 FWIQITYGQPRMAA-GOSISDBHSA-N 414.977 4.831 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccncc2)c1C 222953005 PPNQUDSCDYIXNM-PKTZIBPZSA-N 419.598 4.716 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 223028041 YSTYXFKEQIAZHN-IRXDYDNUSA-N 418.990 4.764 0 40 HJAB C[C@@H]1Cc2cc(Br)cc3c(=O)c(C(=O)Nc4cccc(Cl)c4)cn1c23 223104048 GTVOPGUPJPXYGB-SNVBAGLBSA-N 417.690 4.787 0 40 HJAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(OC4CCCC4)cc3)ccc2O1 223668029 GEZPLAYCHXAWEB-UHFFFAOYSA-N 401.528 4.912 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 223745979 OYGORRKKTAGDDT-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223894056 QWYUWMYKEBQTLI-ZHRRBRCNSA-N 409.526 4.760 0 40 HJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)cc1 224192256 LFMNLKFPNSAGNJ-XZOQPEGZSA-N 411.534 4.753 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccc(C)c(C)c1 224291865 QDWGOJGCKRLWIA-UHFFFAOYSA-N 405.450 4.872 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccccc1C 224375053 YXOQDIGEPGXJEI-UHFFFAOYSA-N 405.450 4.954 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 225491350 VQEQSYFSXSQMCB-DYESRHJHSA-N 400.950 4.605 0 40 HJAB O=C(COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1)N1CCCCC1 225519686 UOHKUCSKUCMSEO-UHFFFAOYSA-N 424.516 4.668 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 225714627 UZIVCLCVJNZNJE-QHCPKHFHSA-N 410.558 4.521 0 40 HJAB COc1cccc(-c2noc(CCC(=O)NC(c3ccccc3)c3ccccc3)n2)c1 225825254 DTIBNKXYYBOBOB-UHFFFAOYSA-N 413.477 4.584 0 40 HJAB CCCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OC)c2)CCC[C@@H](C)C1 225853639 MMVOCTBWAGBLHR-UZUQRXQVSA-N 405.535 4.822 0 40 HJAB CCOC(=O)c1cc(NC(=S)NC2(c3ccncc3)CCCC2)ccc1Cl 225866264 WDOVFZVYTAQRBR-UHFFFAOYSA-N 403.935 4.668 0 40 HJAB Nc1cc(-c2nc3cc(Br)cc(Br)c3[nH]2)ccc1Cl 226343846 LVHSMBXISFZJCE-UHFFFAOYSA-N 401.489 4.991 0 40 HJAB CCCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc1 408583580 INJQSGKVKXGZHR-UHFFFAOYSA-N 403.548 4.608 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl 408706432 RUHBQUYPZZUDKG-LBPRGKRZSA-N 402.318 4.949 0 40 HJAB Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)N[C@@H](C)[C@H]1CCCOC1 504861165 IVDSIZHEJZCVOA-ZFWWWQNUSA-N 417.347 4.728 0 40 HJAB Cc1ccc(C)c(NC(=O)CN2CCC[C@@H]2Cc2c(C(=O)O)sc3ccccc23)c1 585266039 NSNJHNHIFUGXDV-QGZVFWFLSA-N 422.550 4.862 0 40 HJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1ccc(OC(F)(F)F)cc1 1775978967 WQTRULYBTLJSKZ-QGZVFWFLSA-N 407.413 4.777 0 40 HJAB COc1ccc(Br)c(OCOc2cc(OC)ccc2Br)c1 2362803836 RGNNXXTXUPWYRB-UHFFFAOYSA-N 418.081 4.644 0 40 HJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc(Cl)cc1C 812086 ZDFUTZHDDUQLDM-UHFFFAOYSA-N 414.845 4.520 0 40 HJAB Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccnc4)cc3)oc2cc1C 977585 KTHOGPYMSJHKSD-UHFFFAOYSA-N 402.479 4.633 0 40 HJAB COC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CC[C@@H](C(C)(C)C)C2 997375 IWCAIVZPALPMSQ-CYBMUJFWSA-N 401.528 4.947 0 40 HJAB Cc1nc(SCC(=O)Nc2ccccc2F)c2c3c(sc2n1)C[C@H](C)CC3 1326217 DZVNFSOQRDLNHP-LLVKDONJSA-N 401.532 4.994 0 40 HJAB COc1cccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccc(SC)cc4)C3)n2)c1 1360331 DBPRXHWBWFFIBA-INIZCTEOSA-N 424.526 4.879 0 40 HJAB O=C(N[C@@H](CSC(c1ccccc1)c1ccccc1)C(=O)O)OCc1ccccc1 1873081 DETYTTPLYPPXAB-NRFANRHFSA-N 421.518 4.889 0 40 HJAB CCc1cccc2c([C@@H](CC(=O)c3ccc(Br)cc3)C(=O)O)c[nH]c12 2555604 KLXYVIOGRJNDNV-MRXNPFEDSA-N 400.272 4.934 0 40 HJAB Cc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccccc2)cc1Cl 2643312 DFHKZOUZDRVELF-JOCHJYFZSA-N 404.897 4.854 0 40 HJAB CC[C@@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(OC)cc1 2706312 IRJGGSGPTQZDRP-OAHLLOKOSA-N 415.588 4.866 0 40 HJAB CC(C)CCNC(=O)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[nH]c2c1 3043804 UZMJCJACEKGDCL-UHFFFAOYSA-N 415.946 4.537 0 40 HJAB COc1ccc(N(Cc2ccc(Cl)s2)S(=O)(=O)c2ccc(F)cc2)cc1 3412607 VDCMJNNVMCKDTC-UHFFFAOYSA-N 411.907 4.945 0 40 HJAB COc1cccc(-c2nnc(SCC(=O)OC(C)C)n2-c2ccc(Cl)cc2)c1 4541681 WUSMUCNJMQEYMK-UHFFFAOYSA-N 417.918 4.640 0 40 HJAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(Cl)cc3)c3ccccn23)cc1 4585238 ZMPFZOZVQBGKQQ-UHFFFAOYSA-N 403.869 4.967 0 40 HJAB COc1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC23CCC(C)CC3)cc1OC 4891991 HPQSOBNQDHQVCN-UHFFFAOYSA-N 422.550 4.883 0 40 HJAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 6226738 PEXISFZQTIABDE-UHFFFAOYSA-N 421.950 4.937 0 40 HJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1I 6249149 INYINQNSNOFMTE-UHFFFAOYSA-N 406.267 4.534 0 40 HJAB C[C@@H]1CCc2c(C(=O)OCC(=O)N3CCC(Cc4ccccc4)CC3)csc2C1 6468287 UBQSZBQMLXNDRI-QGZVFWFLSA-N 411.567 4.511 0 40 HJAB CCCOc1cccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 6636343 DUUAOUCMWDSJQG-UHFFFAOYSA-N 400.434 4.528 0 40 HJAB COc1ccc(NC(=O)c2ccc(Br)cc2)c(NC(=O)c2ccco2)c1 6924509 BPXRQOKSPNIXMC-UHFFFAOYSA-N 415.243 4.555 0 40 HJAB Cc1nc2ccc(C(=O)OCc3nc(-c4ccc(C(C)C)cc4)no3)cc2nc1C 7616359 MNOFZWCLVITSHM-UHFFFAOYSA-N 402.454 4.777 0 40 HJAB COc1cc(CNn2cn[nH]c2=S)ccc1OCc1ccc(Cl)c(Cl)c1 8471442 DOXLHAKCBUGQJZ-UHFFFAOYSA-N 411.314 4.579 0 40 HJAB COc1ccc(CCNCc2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1OC 8550140 BDZMXHBAWGRTAO-UHFFFAOYSA-N 421.537 4.932 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1F)c1ccc(F)cc1 8810832 UGVMVQDZIHVKKA-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB CC(C)[C@@H]1C[C@@](CC(=O)NCc2cccnc2)(Cc2ccccc2Cl)CCO1 8991409 FANDUUSCAJXVCM-GMAHTHKFSA-N 400.950 4.805 0 40 HJAB COc1ccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@@H]4c2ccccc2)cc1 9192069 PVEJPBSHLJODER-NRFANRHFSA-N 422.444 4.791 0 40 HJAB CCc1sc2nc(S[C@H]3CCC(=O)C3)n(Cc3ccc(C)cc3)c(=O)c2c1C 9218475 YEEMXGHJEUDZQW-KRWDZBQOSA-N 412.580 4.899 0 40 HJAB O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1ccc(F)cc1 9366812 UEVPEEHDLTWCMS-UHFFFAOYSA-N 424.320 4.984 0 40 HJAB Cc1c(O)ccc2c(CSc3nnc(-c4ccccc4F)n3C3CC3)cc(=O)oc12 9636661 IZLWIGLUSXHLIY-UHFFFAOYSA-N 423.469 4.832 0 40 HJAB Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)c1C 9883264 WESSVNOBCYZDAO-AWEZNQCLSA-N 421.513 4.747 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2CC)cc1 13842277 WUCWNFBUQJNRHM-UHFFFAOYSA-N 424.570 4.787 0 40 HJAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccccc1SCc1ccccc1 14083639 JKRUISPEJQJFFJ-UHFFFAOYSA-N 418.518 4.733 0 40 HJAB FC(F)(F)c1nnc2ccc(Oc3ccc4ccccc4c3Br)nn12 14210128 MJJHVNKRZBOUPD-UHFFFAOYSA-N 409.165 4.851 0 40 HJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14400400 AQSVOFOVZITBBA-JKSUJKDBSA-N 402.922 4.891 0 40 HJAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 16051122 UHDQKXJSULREJJ-UHFFFAOYSA-N 406.482 4.570 0 40 HJAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3cccc(Br)c3)no2)cc1 16339317 YXKRMPYKUWYCRK-SFHVURJKSA-N 414.303 4.845 0 40 HJAB COc1cccc(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)c1 17227260 MPAZKUWBOATTHO-UHFFFAOYSA-N 421.478 4.541 0 40 HJAB C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(Cl)cc1 17959481 BJWJCBFABFBRAF-CYBMUJFWSA-N 411.855 4.848 0 40 HJAB Cc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1 20151553 KNCGEXTUAYFKOM-UHFFFAOYSA-N 400.887 4.528 0 40 HJAB CCCCCNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CCN(C)C3 20357471 WTAZIEHLCVYPOP-UHFFFAOYSA-N 416.978 4.691 0 40 HJAB O[C@H](COCc1ccccc1Cl)CN1CCC(c2nc3ccccc3s2)CC1 21275575 RPVBGIFWEUYWOT-SFHVURJKSA-N 416.974 4.707 0 40 HJAB CCCCOc1ccc(-c2nonc2NC(=O)c2ccc(OC)c(Cl)c2)cc1 27580527 QNDWJHGVBAWACR-UHFFFAOYSA-N 401.850 4.830 0 40 HJAB COc1ccccc1O[C@@H](C)C(=O)Nc1cc(-c2ccc(Br)cc2)no1 27793713 JREIQDXFILSMLT-LBPRGKRZSA-N 417.259 4.519 0 40 HJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1 32931494 PQIAJQKVORNUHO-OAQYLSRUSA-N 422.456 4.883 0 40 HJAB CCOc1ccccc1NC(=O)c1sc2nc3cc(OC)c(OC)cc3cc2c1N 35288902 ZIAPZSHLFLBIQH-UHFFFAOYSA-N 423.494 4.700 0 40 HJAB CSc1cccc(NC(=O)Nc2ccc(Nc3cc(-n4cccn4)ncn3)cc2)c1 35597395 CLVHXPAXSPDRBG-UHFFFAOYSA-N 417.498 4.772 0 40 HJAB C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]([C@@H]2CC[C@@H]3CCCC[C@]3(C)[C@@H]2C(=O)O)[C@@]1(C)C(=O)O 36372186 YNMXEGGDGUBZKG-GNNGXEGXSA-N 422.562 4.912 0 40 HJAB O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 38833993 MUNLQWGYVMXBNU-OAHLLOKOSA-N 407.739 4.953 0 40 HJAB O=C(Nc1ccsc1C(=O)NCc1ccccc1)c1ccc(Br)cc1 40115339 GIDJWMHNGKETFT-UHFFFAOYSA-N 415.312 4.693 0 40 HJAB NC(=O)c1c(NC(=O)c2cc3occc3n2Cc2ccccc2)sc2c1CCCC2 40287267 PMPJNLFFHHPOLP-UHFFFAOYSA-N 419.506 4.574 0 40 HJAB CCc1nc(C)c2c(C)c(C(=O)NCc3ccc(F)cc3C(F)(F)F)sc2n1 48263289 JHNMJSGMTIMKNX-UHFFFAOYSA-N 411.424 4.958 0 40 HJAB CCOC(=O)/C=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 62715520 DMLCHTKCDKLTLN-MDZDMXLPSA-N 405.288 4.921 0 40 HJAB CCOc1ccc2ccccc2c1C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70640038 DMOOBMGUNFPFSE-SFHVURJKSA-N 403.400 4.721 0 40 HJAB COc1ccc2c(c1)c(CN1C[C@@H]3[C@@H](CC[C@@]3(O)c3ccc(C)cn3)C1)cn2C(C)C 72392571 BHNYQRDOEZLXMC-CNPGNWEMSA-N 419.569 4.664 0 40 HJAB CC(C)(C)C1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2cccc(Br)c2)C1 95116630 VIMOHKNKFMNIAI-QGZVFWFLSA-N 421.360 4.987 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1nc(-c2ccccc2Cl)no1 95482370 ZAAPRHZVYNTBKH-HNNXBMFYSA-N 406.269 4.517 0 40 HJAB Cc1c(Br)ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)c1C 100394384 QFCWVRAAUSWKHF-RMEVAOCFSA-N 424.338 4.995 0 40 HJAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2ccccc2)C[C@H](c2ccco2)C1 102315222 ZRUUHKDLWPMVIM-YVEFUNNKSA-N 400.360 4.955 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219326260 INOQOXMFIJNRIK-QGZVFWFLSA-N 420.296 4.859 0 40 HJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1nc(-c2cccc(C)c2)no1 219341730 URTOOXPHYJRVCB-FQEVSTJZSA-N 401.466 4.672 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222863373 GNKSSSHSSMQDGU-SFHVURJKSA-N 414.977 4.831 0 40 HJAB CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc2c(c1)CCCC2 223023614 TULHPBMEXPAYPB-AXDNMFEOSA-N 409.526 4.872 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 223298963 NYBJEUODQRQMFK-QHCPKHFHSA-N 424.585 4.713 0 40 HJAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 223982602 TWEOTEFTOPBFRH-YADHBBJMSA-N 419.554 4.600 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 224097450 KZGHUJNXQNFCLV-MRXNPFEDSA-N 403.891 4.663 0 40 HJAB Cc1ccccc1CN(C(=O)COc1ccccc1C(C)C)[C@H](C)C(=O)NCC(C)C 224141179 MMTNXNSKRAKETD-OAQYLSRUSA-N 424.585 4.687 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccccc1Cl 224525192 WMDGAOCVMWPTHQ-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OC)c(Br)c1 224881853 KYQOFBRFGHKFRY-UHFFFAOYSA-N 418.740 4.635 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 224945462 LMFQNSMMCUMMPW-INIZCTEOSA-N 421.368 4.788 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 225208668 PIEGWBXIXRUZLC-RTBURBONSA-N 414.977 4.831 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 225454312 CFCFMQXLDMPZOQ-QGZVFWFLSA-N 418.990 4.515 0 40 HJAB CC(C)Oc1cccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)c1 225821250 RLBFBXWTFHTYBC-UHFFFAOYSA-N 402.907 4.664 0 40 HJAB COc1ccc(NC(=O)c2ccc(-c3ccc(Br)c(C)c3)o2)cc1N 226764236 ORHLVIIDRYURKI-UHFFFAOYSA-N 401.260 4.861 0 40 HJAB COCCC(=O)N[C@@H]1C[C@H](c2ccc(-c3ccccc3OC)cc2)O[C@@H]2CCC[C@@H]12 257292206 QKLPUKXNBQZXAK-XWVZOOPGSA-N 409.526 4.514 0 40 HJAB CC(C)c1ccc(OCCNc2ncc(C(=O)O)c(CCCc3ccccc3)n2)cc1 257315770 VCSGBIUJHINRCR-UHFFFAOYSA-N 419.525 4.964 0 40 HJAB Cc1nc(O)c(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1-c1ccccc1 532079487 ODLXINPXGMSYAQ-UHFFFAOYSA-N 406.392 4.683 0 40 HJAB Cc1nc(-c2ccccc2F)sc1[C@H](C)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 540158025 RHGUDTXOXJYKTP-RVHYNSKXSA-N 417.594 4.676 0 40 HJAB O=C(NC[C@H](c1ccsc1)n1cccn1)C1c2ccccc2Oc2ccccc21 575613477 HWYJRPCIGIGZBR-LJQANCHMSA-N 401.491 4.588 0 40 HJAB Cc1cccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2ccco2)c1C 800092 MENSDUULYNHUPQ-IBGZPJMESA-N 422.447 4.982 0 40 HJAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl 851596 CUFKZEZYSBHPFX-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@H](C)CC4 929583 BCMZSPYHKKWOKW-GFCCVEGCSA-N 423.567 4.503 0 40 HJAB Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3c(Cl)cccc3Cl)ccc12 2148387 XTQLJFAKQDWLNA-UHFFFAOYSA-N 407.249 4.923 0 40 HJAB biogenic O=C(O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 2396718 MPYFDCPGUPNQDK-IBGZPJMESA-N 414.436 4.950 0 40 HJAB CC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(CSc2ncccn2)c1 2639065 CASNTMIPKIGKDA-UHFFFAOYSA-N 421.522 4.606 0 40 HJAB COc1cc(/C=C/C(=O)OCc2csc(-c3ccccc3)n2)cc(OC)c1OC 2649774 YOKZINSPGOSKEU-MDZDMXLPSA-N 411.479 4.593 0 40 HJAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ccccc1OC(F)F 3246727 RYCAJPIRZRXDPC-UHFFFAOYSA-N 411.813 4.952 0 40 HJAB C[C@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)[C@H](C)C1 4164399 RITNIPPOVKZPDM-MMNPAVHPSA-N 406.452 4.804 0 40 HJAB Cc1cccc(OCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1C 4910785 WZKNBUBOAMSIHF-LJQANCHMSA-N 405.542 4.847 0 40 HJAB COc1ccc(-c2ccc(SCC(=O)Nc3cccc(Cl)c3)nn2)cc1OC 5107794 WMRYGSSJIYGEOZ-UHFFFAOYSA-N 415.902 4.545 0 40 HJAB Cc1ccc(C(=O)N(Cc2cccnc2)c2nc3cc4c(cc3s2)OCO4)cc1 5142224 NHAJRGMPBGVQGI-UHFFFAOYSA-N 403.463 4.575 0 40 HJAB Cc1c(CC(=O)NC2CC2)c(=O)oc2c(C)c3occ(-c4ccc(F)cc4)c3cc12 5352240 BPJMZWQXXUATGI-UHFFFAOYSA-N 405.425 4.783 0 40 HJAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1 6035398 ZCRAGQPNGXTNJM-NSHDSACASA-N 413.553 4.776 0 40 HJAB Cc1c(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cccc1C(=O)O 6571313 TWSZQWMORWLYED-UHFFFAOYSA-N 414.870 4.733 0 40 HJAB COCc1c(C(=O)OCc2cc(=O)oc3cc(C)ccc23)sc2cccc(F)c12 6850990 PDCUGICAZZNRPC-UHFFFAOYSA-N 412.438 4.959 0 40 HJAB COc1ccc(Br)cc1CN(C)C(=O)c1cc(F)c(F)cc1Cl 6993522 DPRANIUXBHFLDU-UHFFFAOYSA-N 404.638 4.662 0 40 HJAB Cc1nnc(S/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)O)o1 7365696 ICLOPCUVCLCOMB-APSNUPSMSA-N 407.854 4.796 0 40 HJAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1c2ccccc2Oc2ccccc21 7706179 SFDDUFMVWJSUEC-KRWDZBQOSA-N 410.477 4.725 0 40 HJAB O=C(CSc1nc(-c2cccs2)n[nH]1)c1ccc(NC(=O)c2ccccc2)cc1 8965722 ACYRHZGHBZAPMV-UHFFFAOYSA-N 420.519 4.761 0 40 HJAB COc1ccc(-c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)nn1 9292438 CBBIPPMPJCRTQG-UHFFFAOYSA-N 417.490 4.620 0 40 HJAB CCCOc1ccccc1OCC(=O)Nc1c(/C=C/c2ccc(OC)cc2)noc1C 9592408 DNYKKAZWUSHRKN-SDNWHVSQSA-N 422.481 4.968 0 40 HJAB COc1ccc(C(=O)Nc2nc(CSCc3ccc(F)cc3)cs2)cc1OC 12230200 SLSIDKFWIGCKHK-UHFFFAOYSA-N 418.515 4.985 0 40 HJAB CCCCn1c(SCc2nc(-c3ccc(OC)cc3)no2)nc2ccccc2c1=O 12415715 KFJCFIPDLWLHJX-UHFFFAOYSA-N 422.510 4.548 0 40 HJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1SCc1cscn1 12537362 UJEDCPGSSDIVGB-UHFFFAOYSA-N 411.552 4.524 0 40 HJAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCC[C@@H]2CCCC[C@@H]21 12798399 WIADKBODMBAOFZ-REWPJTCUSA-N 400.526 4.788 0 40 HJAB CC(=O)Nc1cccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)c1 12879089 AFMODMYOGQQKDM-UHFFFAOYSA-N 401.304 4.858 0 40 HJAB O=C(CCC(=O)c1cccs1)NCCC(=O)Nc1ccccc1Oc1ccccc1 12952105 HGROQWLHRGRYJY-UHFFFAOYSA-N 422.506 4.648 0 40 HJAB COc1ccc2cc([C@@H](C)C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)ccc2c1 12980594 HIEKIXADIKPKQQ-GOSISDBHSA-N 404.510 4.632 0 40 HJAB Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccccc4F)c(=O)c23)cc1 12983765 NQYLNJIKPGNGQS-UHFFFAOYSA-N 407.470 4.601 0 40 HJAB COc1cccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 13048345 RFJFWTOVDASART-UHFFFAOYSA-N 401.510 4.634 0 40 HJAB CCOc1ccc(-c2nc(CN(C)CC(=O)Nc3ccccc3Cl)cs2)cc1 13063506 JFBINNXHEIEIEU-UHFFFAOYSA-N 415.946 4.933 0 40 HJAB COc1ccc2[nH]c(C)c(-c3csc(NC(=O)c4ccc(OC)c(OC)c4)n3)c2c1 13552394 VADNIUZZCLTYAS-UHFFFAOYSA-N 423.494 4.878 0 40 HJAB O=S(=O)(Nc1ccc(Br)cc1F)c1cc(Cl)sc1Cl 14118315 FHPITGVFVXGKRM-UHFFFAOYSA-N 405.097 4.757 0 40 HJAB COc1ccc([C@@H]2C[C@]3(CC(C)(C)N=C(SC)N3)Oc3cc(O)cc(C)c32)cc1 15974242 AUXILRFLUXGQNZ-FDDCHVKYSA-N 412.555 4.811 0 40 HJAB COc1ccc([C@H]2CCCN2Cc2nc(-c3cccc(Br)c3)no2)cc1 16339318 YXKRMPYKUWYCRK-GOSISDBHSA-N 414.303 4.845 0 40 HJAB CC(C)C(=O)N1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 19085570 BVUYYYXGTIIWTE-OFQRWUPVSA-N 412.481 4.924 0 40 HJAB Cc1cc(C)cc(C2(C(=O)N[C@@H](C)Cc3cn(C)c4ccc(F)cc34)CCOCC2)c1 19662045 SKGIZDXIVLQNOS-IBGZPJMESA-N 422.544 4.730 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)C[C@@H]2CC(C)(C)OC2=O)n1 19691301 QOZHFQOZXADEHJ-WIYYLYMNSA-N 410.489 4.591 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCO[C@@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19692844 LLVPEQRAYJUSKC-HSZRJFAPSA-N 424.903 4.608 0 40 HJAB O=C(c1ccccc1Cl)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 20611981 WHXBHRZYTHIMPT-UHFFFAOYSA-N 424.972 4.674 0 40 HJAB COC(=O)c1cc2ccccc2cc1OC(=O)CCc1ncc(-c2ccccc2)o1 21436557 QRUXPMLQVKQMHP-UHFFFAOYSA-N 401.418 4.820 0 40 HJAB CC[C@H](Sc1nc(C)c(Cc2ccc(O)cc2)[nH]1)C(=O)N[C@H](C)c1ccccc1 23279071 XOIGCDYQKRQSOE-VFNWGFHPSA-N 409.555 4.763 0 40 HJAB Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 24865712 RIJNLWATXHOQIC-ZDUSSCGKSA-N 421.353 4.852 0 40 HJAB Cc1ccc(-c2csc(=S)n2CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 26990598 RBJATIYTYSEYMQ-UHFFFAOYSA-N 423.563 4.785 0 40 HJAB COc1ccc(Cl)cc1NC(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1 27933366 RHCCZJXMOSJUMC-UHFFFAOYSA-N 416.831 4.653 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cnn(Cc2cccc(F)c2)c1 28220450 NRWRSPNZRTWDFI-LBPRGKRZSA-N 408.260 4.783 0 40 HJAB O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCC[C@@H]1c1nnc2ccccn12 29072107 LLCAJBMFFSGMMI-GOSISDBHSA-N 400.507 4.534 0 40 HJAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccccc1OC(F)F 29138531 UECNZQDRPAVODZ-ZDUSSCGKSA-N 404.388 4.892 0 40 HJAB Cn1cnnc1-c1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 31806611 JPMGOSWTSILWMA-UHFFFAOYSA-N 405.461 4.950 0 40 HJAB CC(=O)c1cccc(NC(=O)Nc2c(C)nn(COc3ccc(F)cc3F)c2C)c1 32610169 LTQRJUQKBQCOKH-UHFFFAOYSA-N 414.412 4.661 0 40 HJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 32909023 WHTSXNVQOLRNPH-HSZRJFAPSA-N 416.477 4.635 0 40 HJAB CC1CCN(C(=O)COc2ccccc2-c2noc(-c3cccc(Cl)c3)n2)CC1 33325219 OMXQQBNORJKSRC-UHFFFAOYSA-N 411.889 4.694 0 40 HJAB CCOCCCNC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 35311599 PBIUVBOGIISKMJ-UHFFFAOYSA-N 415.946 4.585 0 40 HJAB CCc1nc2ccccc2n1C[C@@H](C)C(=O)Nc1nnc(-c2ccccc2F)s1 35322631 IIDYOMPYRHRWRF-CYBMUJFWSA-N 409.490 4.531 0 40 HJAB Cc1ccccc1CN1CCC(C(=O)NCc2ccc(CN3CCCCC3)cc2)CC1 38831199 ACJKAXLRMOJKOC-UHFFFAOYSA-N 419.613 4.509 0 40 HJAB COc1ccccc1[C@H](C)N(C)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 40121792 PCHBIBOVPVYHID-BBWFWOEESA-N 415.509 4.673 0 40 HJAB CCc1cc(=O)n(CC(=O)Nc2ccc(C(C)C)cc2)c(-c2cccc(Cl)c2)n1 57527584 HJIXBFLVBFBUGO-UHFFFAOYSA-N 409.917 4.888 0 40 HJAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CCN(c2cccc(C)c2C)CC1 59409628 DMBWJACGBGGCRK-HINZLTGWSA-N 422.613 4.884 0 40 HJAB biogenic CCOc1ccc([C@H](CNC(=O)[C@@H](CC)OCC)c2c[nH]c3ccccc23)cc1OC 60032202 COPBLVUGOXFIHG-SIKLNZKXSA-N 424.541 4.638 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C(C)C)cc1 65322271 NOGPJKJHYFPAEU-UHFFFAOYSA-N 406.530 4.864 0 40 HJAB Clc1cccc(-c2nnc(Cc3nc(-c4ccc(Br)cc4)no3)o2)c1 67246234 OFVXTIVAAATDHW-UHFFFAOYSA-N 417.650 4.793 0 40 HJAB O=C(NCc1ccc(Cl)cc1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 67261707 RIORLDBPDNSFRC-UHFFFAOYSA-N 424.291 4.566 0 40 HJAB O=C(CN1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1)Nc1ccc(F)cc1Cl 72305170 LHFGDVHYBLLJGX-LJQANCHMSA-N 416.859 4.784 0 40 HJAB O=C(CCc1ccccc1)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 72371268 XRETYXOFEJCVSK-LJQANCHMSA-N 423.944 4.633 0 40 HJAB O=S(=O)(c1cc(F)c(F)cc1F)N(Cc1cccs1)Cc1cccs1 78555267 WHXDTWONQNKBRI-UHFFFAOYSA-N 403.472 4.618 0 40 HJAB COCCCOc1cccc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)c1 84240809 GRVJHFXSRZDCBH-UHFFFAOYSA-N 414.502 4.630 0 40 HJAB O=C(c1cccc2ccccc12)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607542 JFPFEXDROFIMID-UHFFFAOYSA-N 400.400 4.937 0 40 HJAB O=C(Nc1nnc(/C=C/c2ccco2)s1)c1ccnc(OCc2ccccc2)c1 95450918 OVBLLFLHAVVMFX-CMDGGOBGSA-N 404.451 4.528 0 40 HJAB COc1cccc(CC(=O)Nc2ccc(CN(C[C@H]3CCCCO3)C(C)C)cc2)c1 95986091 QICXKHUKZFNHFC-XMMPIXPASA-N 410.558 4.656 0 40 HJAB O=C(C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21)N1CCCC1 96053209 RQEHUXHSPBIKGB-HXUWFJFHSA-N 410.583 4.662 0 40 HJAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccc2OC)C12CCCC2 96344615 DMKWCHNIBJFTNH-HSZRJFAPSA-N 420.553 4.664 0 40 HJAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCSc1ccc(Cl)cc1 222393890 ORVCKYITSAJENF-QGZVFWFLSA-N 418.990 4.684 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12 223147024 LTMPRQFFVQRMIQ-QHCPKHFHSA-N 422.956 4.979 0 40 HJAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2SC)cc1 223439978 GMDUJTJPIIMHLY-UHFFFAOYSA-N 413.948 4.820 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)cc1 224080818 VPQUUCWZWQXKIA-GOSISDBHSA-N 412.549 4.653 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(F)cc3)cc2C)cc1 224207620 OMZBHCYODMMARA-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 224346470 YYGZCGZMIZFPHK-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 224423569 YSPIURSTILCELQ-VXKWHMMOSA-N 415.497 4.584 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCCC1 224847974 LUNOMFRLXSALED-LJQANCHMSA-N 410.533 4.543 0 40 HJAB Cc1ccc(SCc2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2)cc1 225238811 DKZREEHBFJEIOL-HXUWFJFHSA-N 405.519 4.857 0 40 HJAB CCCCc1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1 225730970 DKEIVIBONNWWCI-UHFFFAOYSA-N 413.315 4.745 0 40 HJAB S=C(NCc1ccc(Cl)cc1)Nc1nc(Cl)cc(N2CCCCCC2)n1 225936210 HIAJMUGMYUBKLY-UHFFFAOYSA-N 410.374 4.650 0 40 HJAB Cc1cc(N2CCCCC2)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 225983852 LTUXNVQWLQGIPO-UHFFFAOYSA-N 423.630 4.964 0 40 HJAB Cc1nc2ccccn2c1-c1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 227142906 YGIABYFNIWBXRN-UHFFFAOYSA-N 401.282 4.783 0 40 HJAB CC(C)(C)C(=O)N1CCC[C@H]1c1nc(COc2ccc(Cl)cc2)c(C(=O)O)s1 257296202 RBRUHRIRMDOLNG-HNNXBMFYSA-N 422.934 4.783 0 40 HJAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)c1 408576954 ZCDHZTFETBYNEV-ZDUSSCGKSA-N 407.499 4.591 0 40 HJAB COc1ccc(OC)c(-c2nc(Nc3cccc4ccccc34)sc2CC(=O)O)c1 408889945 LNXISVVLJPCZMD-UHFFFAOYSA-N 420.490 5.351 0 40 HJAB Cc1ccc(-c2nn(CC(=O)Nc3ccc(Br)cc3C)c(=S)o2)cc1 409155381 QYKWPDMAVHRMLC-UHFFFAOYSA-N 418.316 4.891 0 40 HJAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCCN2C(=O)/C=C/c2ccco2)n1 585292091 JWRUHTHNDLMGIE-GFOMBABLSA-N 409.515 4.654 0 40 HJAB O=C(Nc1cc(C(F)(F)F)c2cn[nH]c2c1)c1cnn(Cc2ccccc2Cl)c1 1558444824 RYJIQNXZAWECOR-UHFFFAOYSA-N 419.794 4.732 0 40 HJAB Cc1cccc2c1OC[C@H](NC(=O)NCCc1ccc(Oc3ccc(F)cc3)cc1)C2 1633508616 AWLOORIBVHEFED-OAQYLSRUSA-N 420.484 4.772 0 40 HJAB COc1cccc(-c2ccc3c(N)c(C(=O)c4ccc5c(c4)OCO5)sc3n2)c1 803886 WUPHXYMJKZYEFN-UHFFFAOYSA-N 404.447 4.514 0 40 HJAB Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CCc1ccccc1 2291459 ZOEVZRHVHRIMIY-UHFFFAOYSA-N 407.477 4.662 0 40 HJAB CCC(C)(C)c1ccc(Oc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1 2350568 LBRDBNCYEXLDPX-UHFFFAOYSA-N 420.509 4.964 0 40 HJAB biogenic CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)ccc1C 2656473 NIMVKAFQPPGRKT-UHFFFAOYSA-N 404.713 4.610 0 40 HJAB COc1ccc(C(=O)N[C@@H](Nc2ccc(C)cc2C)C(Cl)(Cl)Cl)cc1 3118655 FSHZOOLNAFFFAY-QGZVFWFLSA-N 401.721 4.850 0 40 HJAB COc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OCc1ccccc1Cl 3334859 GVAFCJJJTSTYBJ-GZTJUZNOSA-N 409.825 4.865 0 40 HJAB CCCCO[C@@H]1C[C@@H](c2ccc(OCc3ccc(OC)cc3)c(OC)c2)N(C)O1 4002175 KHROVKCHSKLFGG-REWPJTCUSA-N 401.503 4.734 0 40 HJAB CCCCNC(=S)N(Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCCC1 4133066 HTGHNIHTZMIPFT-UHFFFAOYSA-N 415.603 4.736 0 40 HJAB O=C1c2ccccc2C(=O)N1c1cc(-c2c[nH]c3ccccc23)n(-c2ccccc2)n1 4525230 QEVFEIJEIMSZKA-UHFFFAOYSA-N 404.429 4.821 0 40 HJAB COc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1 4568545 MDQLTEUWMOMBGB-UHFFFAOYSA-N 413.264 4.988 0 40 HJAB O=C(/C=C/c1ccccc1)n1nc(-c2cccnc2)nc1NCc1ccc(Cl)cc1 4732423 YMVULPJXQDPXQL-JLHYYAGUSA-N 415.884 4.959 0 40 HJAB Cc1ccc(C)c(NC(=O)O[C@@H](C)CNC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1 4833022 ICXMOYCZBCELQD-ZQIUZPCESA-N 413.345 4.948 0 40 HJAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 4849311 BYPQKPWISSOSBK-UHFFFAOYSA-N 421.566 4.673 0 40 HJAB Cc1cc(C(=O)COC(=O)c2ccc3ccccc3n2)c(C)n1Cc1cccs1 5079653 RFEAYOWXCNSUQJ-UHFFFAOYSA-N 404.491 4.803 0 40 HJAB COc1ccc(Cl)c2sc(N(CCCN(C)C)C(=O)c3cccs3)nc12 5256927 BDEGWPAXTQMXFZ-UHFFFAOYSA-N 409.964 4.618 0 40 HJAB Cc1c(CCC(=O)NCc2cccnc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 5345895 SSMLTWJJSZPSNS-UHFFFAOYSA-N 418.493 4.789 0 40 HJAB O=C(CSc1ccccc1C(=O)NCc1ccccc1)NC1CCCCCCC1 5557782 LBOUHRIONKHUNE-UHFFFAOYSA-N 410.583 4.938 0 40 HJAB COc1ccc(-c2oc3ccc(OC)cc3c(=O)c2C(=O)Nc2ccccc2)cc1 5917664 JENDEBRPWHHFHZ-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB CSCC[C@H](NC(=O)COc1cc(C)ccc1C(C)C)c1nc2ccccc2[nH]1 6506556 HMHQPHCJWOIIIS-FQEVSTJZSA-N 411.571 4.984 0 40 HJAB COc1ccccc1CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 6553450 PFDOUNCMUBBTLU-UHFFFAOYSA-N 404.466 4.527 0 40 HJAB O=c1c2ccccc2n2c(-c3ccc(Cl)cc3)nnc2n1Cc1ccc(F)cc1 6781180 YKLQZZWAFKSMQO-UHFFFAOYSA-N 404.832 4.552 0 40 HJAB Cc1cc(-c2nnc(CSc3nnc(C4CC4)n3Cc3ccccc3)o2)c(C)o1 7218594 WYNWWJASRVRBLU-UHFFFAOYSA-N 407.499 4.756 0 40 HJAB COc1ccc(CNC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1 7604389 FCDLKRRBBRPXJA-UHFFFAOYSA-N 418.880 4.767 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)NCCSCc1ccc(Br)s1 7649164 DBDUINJJALJCEU-UHFFFAOYSA-N 409.374 4.584 0 40 HJAB CCCCn1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1Cl 7989685 ODJRYSGBCLNLAB-UHFFFAOYSA-N 418.906 4.750 0 40 HJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3)s2)cs1 8901958 WQMKUCVVLRAFNM-UHFFFAOYSA-N 423.519 4.955 0 40 HJAB Cc1cccc(C)c1NC(=O)CN1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 8981428 RAPRFNYZSAFSBJ-LJQANCHMSA-N 420.553 4.902 0 40 HJAB Cc1ccc(-n2c(C)nnc2SCC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 9127087 YLNNICZUPRFABH-INIZCTEOSA-N 424.595 4.894 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(SCc2ccccc2)n[nH]1 9910143 ZJQWIXXUQQOGHK-UHFFFAOYSA-N 402.907 4.547 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(O)c1)N(c1nccs1)C3=O 10233044 MSHOIOZMJULBSZ-KRWDZBQOSA-N 424.865 4.667 0 40 HJAB O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)O)ON(c2ccccc2)[C@H]1c1ccccc1 12376112 FMFPITJUNAVUGJ-PCCBWWKXSA-N 422.868 4.541 0 40 HJAB O=C(COc1cccc(Oc2ccccn2)c1)Nc1cccc(OC(F)(F)F)c1 12536903 NVEWYCMXACNGLD-UHFFFAOYSA-N 404.344 4.790 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 12798356 VHFLOEFBKVDMTO-OALUTQOASA-N 408.542 4.978 0 40 HJAB Cc1cccc(NC(=O)CN(C)C(=O)c2csc(-c3ccc(Cl)cc3)n2)c1C 12821662 PEVFXNAKNJTTJQ-UHFFFAOYSA-N 413.930 4.791 0 40 HJAB COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@@H]3c3ccc(Cl)cc3)c2c1 13569866 QOQLESSYDQFWSR-QFIPXVFZSA-N 420.900 4.649 0 40 HJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2C)CC1=O 14095533 LCQSTZDGZLJOEH-FQEVSTJZSA-N 405.542 4.930 0 40 HJAB Cc1noc2nc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)cc(C(F)F)c12 19563950 DQTGCJNEUPNSGZ-AWEZNQCLSA-N 403.404 4.557 0 40 HJAB Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)c4sc(C)nc4C)C3)noc2n1 19568745 JHJYEFQAPAHHKO-LBPRGKRZSA-N 424.448 4.643 0 40 HJAB Cc1nc([C@]2(O)CCCN(C(=O)c3ccccc3)CC2)sc1COc1ccccc1 19705273 SWMUHBDCWASXDN-DEOSSOPVSA-N 422.550 4.544 0 40 HJAB Cc1cc(C)cc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1 19947350 MLCSYQKMPUJEBT-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB CCCCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 20636575 VFOQDOILVPBIPL-AREMUKBSSA-N 411.505 4.754 0 40 HJAB Cc1ccccc1C(=O)N[C@H](C(=O)N(C)Cc1cccc(Cl)c1Cl)C(C)C 23489730 MAGXJEWLCVYNCH-IBGZPJMESA-N 407.341 4.715 0 40 HJAB COc1cc(OC)c(NC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1Cl 23688788 OYYDWQQVEBLFOU-UHFFFAOYSA-N 406.847 4.516 0 40 HJAB CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 26504557 RYMZZMVNJRMUDD-CROHETRMSA-N 418.574 4.586 0 40 HJAB in-vitro O=S(=O)(c1ccc(C2CCCCC2)cc1)N(Cc1ccccn1)[C@H]1CCSC1 32935863 MYHKFOJCTAXBTE-NRFANRHFSA-N 416.612 4.826 0 40 HJAB CC(C)c1ccc(-n2nnnc2C2(Nc3ccc4c(c3)OCCO4)CCCCC2)cc1 35622306 MGNSKGQGLXDCII-UHFFFAOYSA-N 419.529 4.828 0 40 HJAB Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)nc1-c1ccc(Cl)cc1Cl 35897678 ZYJKAIFSLASNEB-MMDVMMEASA-N 423.321 4.887 0 40 HJAB COc1ccccc1Oc1ccc(NC(=O)NC[C@@H](c2cccs2)N(C)C)cc1 40104321 MKBSNNXMNDXJAJ-SFHVURJKSA-N 411.527 4.973 0 40 HJAB O=C(NCc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1)c1cccs1 40131585 XYKZMDSUEBZTCH-UHFFFAOYSA-N 408.498 4.622 0 40 HJAB COc1cc(Nc2cc(C(=O)N3CCCCC3)nc3ccc(C)cc23)cc(OC)c1 44168071 PLMKBVKCJLTVCC-UHFFFAOYSA-N 405.498 4.930 0 40 HJAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)cc1 48332550 ZUQKCWISAMTZLP-PBAKHKOTSA-N 424.497 4.649 0 40 HJAB CCc1ccc(Cl)c(CC)c1NC(=O)N1CCCN(C(=O)OCC(C)C)CC1 65540582 GTOUNEIXCRVZPS-UHFFFAOYSA-N 409.958 4.797 0 40 HJAB O=C(NCC1CCN(c2nc3ccccc3s2)CC1)c1ccccc1C(F)(F)F 70931665 UEHTXFOWPKPHJN-UHFFFAOYSA-N 419.472 4.962 0 40 HJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 72354699 AVHPOQHYQQHXSY-FQEVSTJZSA-N 406.917 4.676 0 40 HJAB CCOc1ccc(CN2CCC[C@@H]2c2cccc(Nc3ncccc3C)n2)cc1CO 72375813 VDVIIUIFCAMUDZ-JOCHJYFZSA-N 418.541 4.757 0 40 HJAB C[C@H](CNC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)CN1CCCC1=O 84638453 WVLUNMPDSXQXRA-SNVBAGLBSA-N 418.868 4.562 0 40 HJAB COc1ccccc1CN1CCC(NC(=O)CCc2ccc3ccccc3c2)CC1 95367580 ZXWOWHGFNCJKLP-UHFFFAOYSA-N 402.538 4.562 0 40 HJAB Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)N2CCCC2)c2ccccc2O3)s1 96053217 FVMNEOFYOQXFAR-FQEVSTJZSA-N 424.610 4.970 0 40 HJAB Cc1cc(C(F)F)n2ncc(C(=O)N3[C@H]4CC[C@H]3CC(c3ccc(F)cc3)C4)c2n1 100166465 PADIMFSDVDRAMR-IRXDYDNUSA-N 414.431 4.665 0 40 HJAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4cc(F)cc(F)c4)C3=C(O)C2)cc1 102699450 BUFYLCGNQBHVOI-YEJXKQKISA-N 408.408 4.630 0 40 HJAB Fc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCCO4)=NN21 106617380 NMQFIBJTBABNOV-GBXCKJPGSA-N 402.425 4.839 0 40 HJAB O=S(=O)(CCc1ccc(C(F)(F)F)cc1)CCc1ccc(C(F)(F)F)cc1 198798307 AUQYQQXFPSOAHK-UHFFFAOYSA-N 410.379 4.924 0 40 HJAB O=C(NCc1nc(-c2ccccc2)no1)c1ccc(OCc2ccccc2Cl)cc1 218992460 UFQNPXVVJRNFPG-UHFFFAOYSA-N 419.868 4.899 0 40 HJAB CCOc1c(Cl)cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222573609 WWVRPNXBGKDWQG-IGNZVWTISA-N 403.935 4.732 0 40 HJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 222937863 UZVXWXOTODHQBW-LEWJYISDSA-N 421.522 4.668 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 223653833 SBLYDZZJFAAEEV-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224189034 NJTDVAXJAZROQX-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2C)cc1 224304007 WZCPXGKOQGQZJQ-IBGZPJMESA-N 422.550 4.620 0 40 HJAB CC(C)c1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)cc1 224405501 LTDQZVUYDCJOTO-UHFFFAOYSA-N 422.550 4.883 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 224703504 FURALFGHJCGCDY-INIZCTEOSA-N 421.368 4.788 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 224777677 MMAMVELZJKUIGS-KRWDZBQOSA-N 418.990 4.684 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)c1 225175677 FQLFVHHEHKIUPF-LJQANCHMSA-N 410.533 4.543 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)N[C@H](C)CC)cc1 225577380 AXHBYWMEXYRELH-HYBUGGRVSA-N 424.585 4.658 0 40 HJAB NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncnc2scc(-c3ccc(Cl)cc3)c12 245225007 KHMRTKOBQZNUBE-XKQJLSEDSA-N 412.946 4.635 0 40 HJAB CCCC(=O)N1CCC(Cc2cccc(-c3cccs3)c2)(C(=O)NC(C)C)CC1 257231590 GHJQORBZQBNUMI-UHFFFAOYSA-N 412.599 4.891 0 40 HJAB Cc1cccc(Nc2ccc([C@@H]3CN(CCCOc4ccccc4F)CCO3)nc2)n1 257253789 KAHUXKHCYNTGBN-QHCPKHFHSA-N 422.504 4.510 0 40 HJAB CCN1CCN(C(=S)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)CC1 408574339 LXLJNZVTTBIYTN-UHFFFAOYSA-N 409.382 4.885 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccc3sc(C(=O)N4CCCCC4)cc3c2)c1 408713306 RYYSHPHRDBOROT-UHFFFAOYSA-N 424.522 4.797 0 40 HJAB CCOc1cc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)ccc1OC(C)=O 408975455 KNVNQEVCLSRPLN-DJKKODMXSA-N 409.482 4.523 0 40 HJAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O 409009456 ACBADLTXCGOAMZ-KWWJGWKXSA-N 417.508 4.727 0 40 HJAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 409154373 GZDBQUZGHFSFCA-MHWRWJLKSA-N 400.887 4.632 0 40 HJAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1 409253578 ZWNYULWPEWHBFA-OEAKJJBVSA-N 416.452 4.806 0 40 HJAB CN1C(=O)S/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)C1=O 409346311 JXKFOIUJQRPUHQ-OVCLIPMQSA-N 415.833 4.881 0 40 HJAB CC1(C)CC[C@@H]2C[C@@H](NC(=O)Nc3cccc(N4CCNC4=O)c3)c3cccc1c32 538437447 BNHMMOQWEHXMEW-FOIQADDNSA-N 404.514 4.638 0 40 HJAB O=C(NC[C@H](O)CCc1ccccc1)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 1682121555 JBZRAQNMKZLZGB-CEMLEFRQSA-N 400.950 4.659 0 40 HJAB O=C(N[C@@H](Nc1ccc(Br)cc1)C(=O)c1ccccc1)c1cccs1 631736 XBAIFYWOFPYBPX-GOSISDBHSA-N 415.312 4.562 0 40 HJAB O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)Nc1ccccc1F 1100451 UVLGMCMLYLUBQX-UHFFFAOYSA-N 418.906 4.981 0 40 HJAB CCc1nc(SCC(=O)c2cc(OC)ccc2OC)c2c(C)c(C)sc2n1 1372127 YQOPYMYNEKQAFS-UHFFFAOYSA-N 402.541 4.863 0 40 HJAB CCc1ccc(NC(=O)[C@@H](CC)Sc2nc3ccccc3c3nc(C)nn23)cc1 2969564 FVACVOFKKDDSCP-LJQANCHMSA-N 405.527 4.658 0 40 HJAB O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccc(Br)o1 3263974 GCGPBZFNOKMSLO-UHFFFAOYSA-N 412.324 4.693 0 40 HJAB COc1ccccc1NC(=S)NCCn1c2ccccc2c2c(C)cc(C)nc21 3765459 YQBYLQOUNLPYTR-UHFFFAOYSA-N 404.539 4.802 0 40 HJAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N(C(C)C)C(C)C)cc1 4357982 DLWXWNJZAOUPCS-UHFFFAOYSA-N 422.598 4.904 0 40 HJAB CCCCN[C@@H](C)[C@H](O)c1ccc(-c2ccc([C@H](O)[C@@H](C)NCCCC)cc2)cc1 4430023 HLQCZIGONWBKKO-SSVHHLKVSA-N 412.618 4.977 0 40 HJAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2CC[C@H]1C2=C(C)C 4651465 KMGHPDNJIREZLH-DECQCQTCSA-N 419.543 4.680 0 40 HJAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCCc4ccccc4)c(C)c3cc12 4743852 YIQBRYALYIFPAY-UHFFFAOYSA-N 403.478 4.756 0 40 HJAB O=C(CN1CCCCC1)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Cl 4907286 UARULYQGELQFIJ-UHFFFAOYSA-N 406.313 4.670 0 40 HJAB COc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3ccc(F)cc3c2=O)cc1 4936973 KSFGZAJDSUAAHH-UHFFFAOYSA-N 405.400 4.568 0 40 HJAB COc1cccc(-c2cc3nccc(C4CCN(C(=O)OC(C)(C)C)CC4)n3n2)c1 5007095 CMKIUCUINHGICJ-UHFFFAOYSA-N 408.502 4.519 0 40 HJAB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc2c(c1)OCO2)c1ccco1 5325398 RDCLDGPYVCWHDL-UHFFFAOYSA-N 409.781 4.687 0 40 HJAB Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)n(-c2nc3ccccc3[nH]2)n1 5343501 VVEXIIRIPWBAOX-UHFFFAOYSA-N 403.461 4.647 0 40 HJAB CCCOc1c(Br)cc(C(=O)Nc2cccc(OC)c2)cc1OCC 6138760 WSDQIKQNEWOFDD-UHFFFAOYSA-N 408.292 4.898 0 40 HJAB O=C(COC(=O)/C=C/c1ccco1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 6226082 YLZVXIBKDHPBPB-ONEGZZNKSA-N 407.266 4.512 0 40 HJAB Cc1c(C)n(CCCN(C)C)c2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c12 6662828 MQFUZOSKPAMJHR-UHFFFAOYSA-N 417.344 4.621 0 40 HJAB COc1ccc(-c2nnc([C@@H](C)Sc3nncn3-c3cccc(Cl)c3)o2)cc1 7020122 PNEFFBOQZQVRIB-GFCCVEGCSA-N 413.890 4.833 0 40 HJAB Cc1ccc2sc(N(CCCn3ccnc3)C(=O)COc3ccccc3)nc2c1C 7424810 WOXXAIXPQYEDBB-UHFFFAOYSA-N 420.538 4.612 0 40 HJAB CCc1ccc2nc(N3CCN(C(=O)c4cccc5ccccc45)CC3)sc2c1 7513048 MBAFJXGMWRCIQJ-UHFFFAOYSA-N 401.535 4.974 0 40 HJAB Fc1ccc(COc2ccc(Br)cc2CNCc2ccccn2)cc1 8436756 SNIZHHGRFJJPFQ-UHFFFAOYSA-N 401.279 4.852 0 40 HJAB Cc1cc(NC(=O)c2cncc(Br)c2)cc(-c2nc3ccccc3o2)c1O 9486713 FRTCLJNNBRQZBN-UHFFFAOYSA-N 424.254 4.919 0 40 HJAB CCCCn1c(SCc2nc(-c3ccc(C)cc3)no2)nc2ccccc2c1=O 10021196 FSDROFUCYWCKPT-UHFFFAOYSA-N 406.511 4.847 0 40 HJAB CSc1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 10314315 FZHYBWYYGODROK-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB CCCOc1cc(Nc2ccc(NC(=O)c3ccc(OCC)cc3)cc2)nc(C)n1 11613260 DXWOVEPOZFWPOE-UHFFFAOYSA-N 406.486 4.968 0 40 HJAB Cc1cc(C)cc(-c2ccccc2CC2(C(=O)NC[C@H]3CCCOC3)CCOCC2)c1 12231663 RHNVXIXZUOZSKM-JOCHJYFZSA-N 421.581 4.853 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2cc(C)c3cc(C)cc(C)c3n2)cc1 12251428 IUCZHBGELIACHZ-UHFFFAOYSA-N 420.538 4.763 0 40 HJAB CC(=O)c1ccc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 12772504 MAJVAHSVTRZBTH-MRXNPFEDSA-N 408.523 4.672 0 40 HJAB COc1ccc2c(C)c(CC(=O)Nc3cc(Cl)cc(Cl)c3)c(=O)oc2c1OC 13575881 QEAWVZNFKDIVRF-UHFFFAOYSA-N 422.264 4.607 0 40 HJAB CSCC[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1nnc2ccccn12 15972700 MMUQQQWKGBQNDD-HXUWFJFHSA-N 418.522 4.746 0 40 HJAB O=S(=O)(c1cccs1)N(CCc1c[nH]c2ccc(F)cc12)Cc1cccs1 16957290 YCIZGJQHATXIHH-UHFFFAOYSA-N 420.556 4.864 0 40 HJAB Cc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c(C)c1 17090077 HLZWAEUHCBQTBH-OAHLLOKOSA-N 414.571 4.632 0 40 HJAB CC(C)(C(=O)N[C@H](Cc1cc(O)nc(C2CC2)n1)c1ccccc1)c1ccc(F)cc1 19085057 SCVIVCWFFOVHLZ-OAQYLSRUSA-N 419.500 4.577 0 40 HJAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCN(c2cc(Cl)ccc2C)CC1 20807220 HRBNXKDGOLTHFX-GHTZIAJQSA-N 416.993 4.724 0 40 HJAB COc1cc(CNc2ccc(Br)cc2C)cc(Br)c1O 21042790 BPYRPHUETKDQLB-UHFFFAOYSA-N 401.098 4.846 0 40 HJAB CC[C@@H](C)N(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22257141 SEMVCJZONDKTHD-OAHLLOKOSA-N 419.572 4.911 0 40 HJAB Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(C)s1 23399800 MJXRELWWAYJIDS-UHFFFAOYSA-N 401.513 4.810 0 40 HJAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC(F)F 25457339 AZOFHEWRUYRENR-HNNXBMFYSA-N 419.472 4.726 0 40 HJAB COc1ccccc1CN(C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 26475577 VRQXLJQCENXGBT-LBPRGKRZSA-N 400.828 4.826 0 40 HJAB C[C@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@@H]1c1ccccc1 28048111 XEWCVMZHDIPLMD-HJPURHCSSA-N 420.896 4.678 0 40 HJAB O=C(Nc1cccc(C(=O)N(CCc2ccccc2)CCc2ccccc2)c1)C1CC1 30547618 NSQVXSJJVSKCKG-UHFFFAOYSA-N 412.533 4.963 0 40 HJAB COC(=O)c1cc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)ccc1Cl 31057872 QELYUMWOGVQLQZ-UHFFFAOYSA-N 418.877 4.655 0 40 HJAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 32882772 KXIVGGHBWPWHLK-UHFFFAOYSA-N 400.434 4.887 0 40 HJAB CCOc1ccccc1NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1 36615879 YIXWVMZKJFEBGP-UHFFFAOYSA-N 404.445 4.827 0 40 HJAB Cc1nc(-c2ccc(CCNC(=O)CCc3nc(-c4cccs4)no3)cc2)cs1 40005433 DYDDCCNNWMHWOV-UHFFFAOYSA-N 424.551 4.522 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(F)c3)c(Cl)c2)cc1 44883492 VISHMXTYNXZTDA-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Cc1ccc(C(=O)C2CCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)CC2)c(C)c1 48272927 IQPKRENRZCDMGC-UHFFFAOYSA-N 405.473 4.568 0 40 HJAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 48312756 HLKVLLWANYFECA-OAQYLSRUSA-N 406.482 4.938 0 40 HJAB CC(=O)c1cccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc23)c1 49005426 XDHDZBXYCKCOHW-UHFFFAOYSA-N 402.498 4.757 0 40 HJAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(Br)c1 49005587 UXAWNMIQZJEJFW-UHFFFAOYSA-N 413.319 4.926 0 40 HJAB C[C@@H]1c2ccsc2CCN1C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 49581380 AFJYENDFSFYNKZ-MJGOQNOKSA-N 418.562 4.899 0 40 HJAB C[C@H](c1nnc(-c2cccs2)o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 57718063 CPHFZLPQLUJFSY-CYBMUJFWSA-N 408.449 4.700 0 40 HJAB O=C(CNc1ccc(SC(F)F)cc1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 57866518 IYLPYKZVQSBPRF-MRXNPFEDSA-N 417.437 4.977 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)Nc1ccccc1 58158669 FGRFJUIFPARBHU-UHFFFAOYSA-N 418.497 4.863 0 40 HJAB O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)CC1 59323033 YRBZKYXCUHEXAH-UHFFFAOYSA-N 409.382 4.571 0 40 HJAB COc1ccccc1C[C@H](C)Nc1cc(Cn2c(C)nc3ccccc32)nc(C)n1 72373230 DRPDUAAIZNPDCM-INIZCTEOSA-N 401.514 4.543 0 40 HJAB Cc1nc(-c2cccc(C(=O)N3CCC[C@@H]3Cn3cnc4ccccc43)c2)cs1 89712620 ZOKSRNDXNNEQBG-LJQANCHMSA-N 402.523 4.773 0 40 HJAB Cc1cc(C)n(CC2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)n1 90560613 RQTMPWDFVBMNIP-UHFFFAOYSA-N 402.542 4.711 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cccc(OC(F)F)c2)S1 96117957 HLYYHQLIGMENQV-CZUORRHYSA-N 423.485 4.794 0 40 HJAB O=C(N(Cc1ccccc1)c1ccccc1)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 102834239 DNYUJLWTCIEYGH-URFUVCHWSA-N 412.537 4.807 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 222395844 MLNTZNRYPHRIDE-XMMPIXPASA-N 424.585 4.794 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCCOc1ccc(C)cc1 222931054 MWFRWJYQNLWNRB-DEOSSOPVSA-N 424.585 4.529 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C 222944812 KWEIDNMLCXDKBH-HSZRJFAPSA-N 424.585 4.563 0 40 HJAB CCc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 223228529 JBXSERKVFZWJLW-GOSISDBHSA-N 422.550 4.849 0 40 HJAB Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1C 223779803 MRNSHSHQSKEDCW-NRFANRHFSA-N 406.570 4.630 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 224140442 JRYYBAFFEZYODU-XMMPIXPASA-N 422.569 4.548 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(I)c1 225019919 QQVCNMILVVVDPL-UHFFFAOYSA-N 405.157 4.871 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(F)cc1 225128337 MFBSMXQGCYYTGV-DEOSSOPVSA-N 424.560 4.933 0 40 HJAB CCCOC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@H](C)C3)cc2)CCCC1 225654887 HRAXQZMRMFMLKH-PMACEKPBSA-N 402.579 4.721 0 40 HJAB Cc1cc(OC(=O)COCC(=O)Oc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl 247873779 MXCJXZXEKWLADY-UHFFFAOYSA-N 411.281 4.755 0 40 HJAB O=C(CCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@H]21 257199331 ZXJAOWMVDHPZJN-MIUUGJTFSA-N 403.570 4.522 0 40 HJAB Cc1nccn1Cc1ccccc1C(=O)N1C[C@H]2CC[C@H](Cc3cccc(F)c3)[C@H]2C1 257216246 CTRUHKHKYZZNJH-QFZWGZQFSA-N 417.528 4.720 0 40 HJAB Cc1ccc(N2CCC(N(CCC(=O)O)CCc3cccc(Cl)c3)CC2)cc1 257227129 FNVGHSZYEXEYBA-UHFFFAOYSA-N 400.950 4.637 0 40 HJAB CCCn1cc(CCC(=O)N(CCC(=O)O)CCc2ccccc2)c2ccccc21 257293520 QPVSGHGUFFZFKE-UHFFFAOYSA-N 406.526 4.530 0 40 HJAB O=C(c1ccsc1)N1C[C@]2(CCN(Cc3cccc(Cl)c3)C2)c2ncccc21 306136825 QEMAVTSWHAIFMT-JOCHJYFZSA-N 409.942 4.601 0 40 HJAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 408559358 WPDRHLKFRUNBHA-UHFFFAOYSA-N 422.812 4.728 0 40 HJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)ccc2C)cc1C 409101466 UDADDVFREDKKDC-UHFFFAOYSA-N 400.935 4.885 0 40 HJAB CCCN1C(=O)/C(=C\c2cc(Br)c(OC)cc2OC)c2ccccc21 409112769 BUZOMIJXKPCCEL-GDNBJRDFSA-N 402.288 4.764 0 40 HJAB CC(C)OC(=O)NC1CC2(CCN(Cc3ccc(F)c(C(F)(F)F)c3)CC2)C1 585103641 QJKXXAOWXKOQCK-UHFFFAOYSA-N 402.432 4.724 0 40 HJAB FC(F)(F)c1nnc2sc(-c3cnn(-c4ccccc4)c3-c3ccccc3)nn12 632889 JEJUOYUMNDIYEQ-UHFFFAOYSA-N 412.400 4.724 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1I 675383 PFTBZRDUOYHROV-UHFFFAOYSA-N 416.056 4.614 0 40 HJAB COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)c(OC)c1 691601 OKBPZHLYQPJJKP-UHFFFAOYSA-N 411.527 4.807 0 40 HJAB COc1cc(-c2nc(-c3ccc(-c4ccccc4)nc3OC)no2)cc(OC)c1OC 812423 RWEJYIQILBVRBD-UHFFFAOYSA-N 419.437 4.500 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cc(OC)c(OC)c(OC)c1Br 951409 DNZDIYVBNATDQH-UHFFFAOYSA-N 422.319 4.852 0 40 HJAB O=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1cccc(C(=O)O)c1 977004 JSFNAZLAZZIAAM-UHFFFAOYSA-N 415.474 4.726 0 40 HJAB O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N1CCCc2ccccc21 1329228 HYQBESCVBAKAIJ-UHFFFAOYSA-N 400.507 4.696 0 40 HJAB Cc1oc2cc(OCC(=O)OCc3ccccc3)ccc2c(=O)c1-c1ccccc1 1447914 JGTVKYPORYWTBV-UHFFFAOYSA-N 400.430 4.891 0 40 HJAB biogenic COc1cc(C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc(OC)c1OC 1509972 VKBPNMUMXPFJDC-UHFFFAOYSA-N 405.450 4.504 0 40 HJAB CCCOc1ccc(Nc2c(C(=O)OCC)cnc3ccc(C(=O)OC)cc23)cc1 1778657 ZUBSVZOIMCBELA-UHFFFAOYSA-N 408.454 4.731 0 40 HJAB Cc1cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)c2c(-c3ccccc3)cc(=O)oc2c1 2227805 YZJMJBUZMMLBIY-HNNXBMFYSA-N 423.465 4.587 0 40 HJAB biogenic COc1ccccc1C(=O)Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 2253699 BYOCCQOHMNJGBP-UHFFFAOYSA-N 421.460 4.719 0 40 HJAB COc1ccccc1-c1nc(-c2ccc(Br)cc2)c(CC(=O)O)s1 2955989 JVTPTFHQBUDXCQ-UHFFFAOYSA-N 404.285 4.875 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cccc(N(C)C)c1)CC2 3224984 WZTBHMXQJORCDD-HSZRJFAPSA-N 422.550 4.619 0 40 HJAB Cc1cc(C)n2nc(C(=O)Nc3ccc(N(c4ccccc4)C(C)C)cc3)nc2n1 3370831 PVNOVSJRRHESNH-UHFFFAOYSA-N 400.486 4.540 0 40 HJAB CCOCCCn1c(SCc2nc3ccccc3s2)nc2ccccc2c1=O 3500248 GUXPDSLNXQVYEN-UHFFFAOYSA-N 411.552 4.725 0 40 HJAB C[C@]12C(=O)N(c3ccc(Cl)cc3Cl)C(=O)N1CCc1c2[nH]c2ccccc12 4073451 BCKRSRBBHCVHGP-FQEVSTJZSA-N 400.265 4.715 0 40 HJAB biogenic CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1 4120355 SVOWHEMLUMFZME-UHFFFAOYSA-N 401.510 4.541 0 40 HJAB COc1cc(-c2nc3cc(C)ccn3c2Nc2ccc3c(c2)OCCO3)ccc1O 4126258 VJWBJOLLMBQFPR-UHFFFAOYSA-N 403.438 4.539 0 40 HJAB CC(C)CCn1c(N)c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc21 5030571 JBTSDVLRDVPJDH-UHFFFAOYSA-N 415.541 4.575 0 40 HJAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 6128748 OLKBAHMKWDMYFQ-IERDGZPVSA-N 418.566 4.819 0 40 HJAB COc1ccc(CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 6378076 YFMNUVZBHASGFZ-UHFFFAOYSA-N 409.486 4.532 0 40 HJAB CCC(=O)Nc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 6386325 BPXMRLFJTFLFHZ-UHFFFAOYSA-N 417.534 4.680 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3Cl)cc2)cc1 6478794 BDTUMSFQXZKEKZ-UHFFFAOYSA-N 407.853 4.940 0 40 HJAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCC[C@@H]1c1cccs1 6654199 CGPYTSCNBHSOTD-LJQANCHMSA-N 400.507 4.973 0 40 HJAB CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)[C@H](C)CCC3 6728084 ZRAPOAPLIFUBCB-CYBMUJFWSA-N 414.552 4.542 0 40 HJAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(C1CC(C)(C)NC(C)(C)C1)CO3 6756564 ZHPGKICOCHOTCV-UHFFFAOYSA-N 404.938 4.524 0 40 HJAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNC(C)(C)CC(C)(C)C)o2)c1 6857399 OJMPYGMLCWUKFB-UHFFFAOYSA-N 401.503 4.824 0 40 HJAB Cc1cc(OCC(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)ccc1Cl 7699136 JILNXZOINZVYIE-UHFFFAOYSA-N 418.902 4.761 0 40 HJAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 8203050 KYIZNUHYTXJTKD-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c(C)c1 8495704 PWTUCFDGVMBFTQ-FQEVSTJZSA-N 416.521 4.682 0 40 HJAB CC(C)c1nc2sc3c(=O)n(CC(=O)c4ccccc4)cnc3c2c2c1CCC2 9423833 AXDPKQWSCBVCEL-UHFFFAOYSA-N 403.507 4.501 0 40 HJAB Cc1ccc(S(=O)(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCCC2)cc1 9431070 NILSNDNZHMMNPR-UHFFFAOYSA-N 424.566 4.669 0 40 HJAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)Nc1ccc(F)c(Cl)c1 10273433 HJSWZRXJABHXJC-UHFFFAOYSA-N 421.859 4.975 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccccc3)c2C)cc1 10356788 XULYJKJHRBNRPU-GOSISDBHSA-N 408.523 4.595 0 40 HJAB Cc1cc2c(cc1Cl)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(Cl)cc3)CC1)O2 12329839 LDSKHFAHKGVVLZ-UXHICEINSA-N 422.352 4.686 0 40 HJAB CSc1nncn1-c1cccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1 12536551 WUPZXIODRXPRNX-SOFGYWHQSA-N 405.310 4.948 0 40 HJAB O=C(OCCOc1ccccc1Cl)c1cccc(NC(=O)c2cccs2)c1 12693036 ODFRICWILWFACZ-UHFFFAOYSA-N 401.871 4.890 0 40 HJAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1 13689586 BPUGHZMUSVNPKN-WWDZGPRUSA-N 413.562 4.546 0 40 HJAB COc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 15880645 HKIVQGSLDMOULM-UHFFFAOYSA-N 416.890 4.630 0 40 HJAB CCCCC1CCC(C(=O)N(Cc2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)CC1 16741449 HLGNTJGJKCQXPG-VTLFHKLASA-N 405.604 4.507 0 40 HJAB COc1ccc(OC)c(NC(=O)CSc2ncc(-c3cccc(Cl)c3)o2)c1 16841020 OTCNFTCWCPNDLN-UHFFFAOYSA-N 404.875 4.743 0 40 HJAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 17011440 UTAYHGYVSMVVRB-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(CC4=CCCOC4)C3)noc2n1 19452093 NZECHMPIQYPGTM-OAHLLOKOSA-N 409.452 4.891 0 40 HJAB Cc1nc(NC(=O)CCc2c[nH]c3ccccc23)sc1-c1nccn1C(F)F 22472649 LNDOSZXKCNJPAT-UHFFFAOYSA-N 401.442 4.763 0 40 HJAB O=C(Nc1ccccc1Sc1ccccc1)c1cccc(CN2CCOCC2)c1 22510342 MWLMYMIWLQNRMT-UHFFFAOYSA-N 404.535 4.922 0 40 HJAB CC[C@@H](Sc1nc(C)c(Cc2ccc(O)cc2)[nH]1)C(=O)N[C@H](C)c1ccccc1 23279068 XOIGCDYQKRQSOE-QVKFZJNVSA-N 409.555 4.763 0 40 HJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 24460534 IKQZQNCSLDFTIO-KBPBESRZSA-N 409.313 4.658 0 40 HJAB CCn1c(SCc2ccc(OC)cc2)nnc(Nc2cccc(Cl)c2C)c1=O 28537471 DIOORIDAJFGBBY-UHFFFAOYSA-N 416.934 4.665 0 40 HJAB CCCCC(=O)Nc1ccc(NC(=O)COc2cccc3ccccc23)cc1OC 32114844 JCPKVHNPDGZPKF-UHFFFAOYSA-N 406.482 4.995 0 40 HJAB CCN(Cc1ccco1)C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C 32251322 XRLHQMBGTQDNQR-UHFFFAOYSA-N 406.313 4.980 0 40 HJAB CC(=O)Nc1cccc(-n2c(C3CC3)nn(CN(C3CCCC3)C3CC3)c2=S)c1 36391052 VUUSEMVMBKKHMK-UHFFFAOYSA-N 411.575 4.604 0 40 HJAB O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Cl)cc1 40059729 WGNAUUVPRLUWOD-UHFFFAOYSA-N 408.885 4.668 0 40 HJAB CCOC(=O)c1cc2cc(NC(=O)CSCc3c(C)noc3C)ccc2s1 40082333 BGEFQPNTBIWLPE-UHFFFAOYSA-N 404.513 4.555 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2nnc(-c3ccco3)o2)CC1 49372059 GQHMNVDNFOHDRC-UHFFFAOYSA-N 406.364 4.760 0 40 HJAB COc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OCN(CCCOC(C)C)C4)cc1 54333075 BXHFGLNJXCCXIL-UHFFFAOYSA-N 423.509 4.744 0 40 HJAB biogenic O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2ccccc2c1 57291793 RFXGDVGAXFBBQE-UHFFFAOYSA-N 413.443 4.619 0 40 HJAB CCCN(Cc1cc(=O)n2cc(C)ccc2n1)[C@@H](C)c1ccccc1Br 59121809 UAGKGYJEOPKBLT-INIZCTEOSA-N 414.347 4.739 0 40 HJAB O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3ccccn3)sc2c1 59417552 FLNXZXJBOFVABG-UHFFFAOYSA-N 403.488 4.784 0 40 HJAB COc1ccnc(COC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c1 62639901 RWFGASWOCWAKHR-UHFFFAOYSA-N 404.397 4.908 0 40 HJAB Cc1cc2c(cc1CNC(=O)c1ccc(OCc3ccccc3)cc1)OCCCO2 64986989 UJYGEOOJCFQRSY-UHFFFAOYSA-N 403.478 4.665 0 40 HJAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)cc1F 67293021 WHXPHRHRHUOSNZ-LYYOGKFUSA-N 414.864 4.675 0 40 HJAB OC1(c2cccnc2F)CCN(Cc2ccc(-c3ccc(F)c(Cl)c3)o2)CC1 72339998 VSVJCXDONCDDGK-UHFFFAOYSA-N 404.844 4.757 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cc1 72349574 GLIRMOVFDVIECK-OAQYLSRUSA-N 418.512 4.769 0 40 HJAB COc1cccc(C(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1OC 79352330 SCNVSWGBMPFFRN-IBGZPJMESA-N 409.461 4.600 0 40 HJAB COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)Nc5cccc(O)c5)n4)n3c2)c1 96155467 FDZBYDXMERGDPT-UHFFFAOYSA-N 424.460 4.759 0 40 HJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccccc1Cl 96236468 ZBDSZRYHOJFQAC-UHFFFAOYSA-N 407.948 4.733 0 40 HJAB COC(=O)c1cc(Nc2nnc(-c3ccccc3)c3ccccc23)cc(C(=O)OC)c1 96305862 KEPBTKBBQWMQSM-UHFFFAOYSA-N 413.433 4.614 0 40 HJAB COc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)NCCc5ccccc5OC)(C4)C2)C3)cc1 103136336 QMSAWVDGAMDNCW-LNXYEHLSSA-N 419.565 4.901 0 40 HJAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 223109169 FACSEERZDKLUIJ-HXUWFJFHSA-N 418.990 4.684 0 40 HJAB Cc1ccccc1[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224127141 GIBFRQDNXZGSSA-IBGZPJMESA-N 422.550 4.620 0 40 HJAB CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1 224741785 KVMWJEAMMZGWBP-UHFFFAOYSA-N 424.360 4.986 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 225170703 AZINWWDJLCEGBF-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C2CCCC2)CC1 257335854 YMEKAMVRCDIJIB-UHFFFAOYSA-N 418.581 4.831 0 40 HJAB COc1ccccc1-c1cc(C(=O)Nc2ccccc2-c2cn3cccc(C)c3n2)n[nH]1 390827387 GTDCVVVBRWDKSY-UHFFFAOYSA-N 423.476 4.961 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)CCc2ccccc2)cc1 408617719 IUMXLVCDBGHUPP-LJQANCHMSA-N 422.550 4.547 0 40 HJAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1 409164238 FIWGQYAJISTOGF-UYRXBGFRSA-N 424.522 4.767 0 40 HJAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccccc1Oc1cccnc1 596011815 CFNGAQISGZYRDC-UHFFFAOYSA-N 411.465 4.721 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1C 702331 WCOJRAAYXJFNQZ-AWEZNQCLSA-N 417.531 4.992 0 40 HJAB COc1ccc(Cc2nnc(NC(=O)c3c(Cl)cccc3Cl)s2)cc1OC 804666 RENDFPNXQPMVKD-UHFFFAOYSA-N 424.309 4.705 0 40 HJAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)c1ccccc1C 882163 CINGYDOOCFKFME-UHFFFAOYSA-N 402.479 4.633 0 40 HJAB O=C(Nc1ccc(Cl)cc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 1359305 BRBNNTPMPPOLCQ-UHFFFAOYSA-N 400.841 4.941 0 40 HJAB O=S(=O)(NC[C@H](Nc1ccc(F)cc1)c1ccccc1)c1ccc(Cl)cc1 1428847 SGLQALGHWKZXNB-FQEVSTJZSA-N 404.894 4.611 0 40 HJAB CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4ccc(C)c(C)c4)cc3n2)cc1 1517069 TUICAWHCCCOIJF-UHFFFAOYSA-N 400.482 4.973 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)Nc1cccc(Cl)c1 2263967 NBUVRJXKOYHEGB-UHFFFAOYSA-N 414.874 4.564 0 40 HJAB O=C(O)c1ccccc1Nc1nc(Nc2ccccc2C(=O)O)c2ccccc2n1 2294009 AGDFIADADHXMTR-UHFFFAOYSA-N 400.394 4.513 0 40 HJAB C[C@@H](c1nc2c3c4c(sc3ncn2n1)CCC4)n1nc(C(F)(F)F)cc1C1CC1 2788842 RILQZTVFCNUBTO-VIFPVBQESA-N 418.448 4.530 0 40 HJAB O=C1c2cccc3c(Br)ccc(c23)N1S(=O)(=O)c1ccc(Cl)cc1 3186641 OSFXVPPLXGYNEC-UHFFFAOYSA-N 422.687 4.605 0 40 HJAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 3227944 SLZQDYFZSMZIMB-UHFFFAOYSA-N 407.853 4.675 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)Nc1ccc2c(c1)CCC2 3396851 OTCGYGWVVVAFTG-UHFFFAOYSA-N 408.502 4.639 0 40 HJAB CC(=O)Oc1cc(OC(C)=O)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)CC2=O 4027633 ZWTXAHLNCWXTAY-FQEVSTJZSA-N 408.450 4.752 0 40 HJAB biogenic,in-vitro COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(C)cc2)c1 4518115 MWDPHCACBSUOGR-UHFFFAOYSA-N 405.502 4.560 0 40 HJAB Cc1cccc(C)c1NC(=O)[C@H](NC(=O)c1ccccc1O)c1ccc(Cl)cc1 4592611 IKUKKMPLIJUADU-OAQYLSRUSA-N 408.885 4.772 0 40 HJAB CCOC(=O)c1c(C)nc2sc3c(c2c1-c1ccccc1)NC1(CCCC1)NC3=O 4666735 SZJBLXGGKOFBOT-UHFFFAOYSA-N 421.522 4.874 0 40 HJAB CCCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(OC)cc1 4816704 JWDFMWRRUKCZLV-VQTJNVASSA-N 410.905 4.808 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 4980939 NCMXLZBQFZUUHH-VSKRKVRLSA-N 418.880 4.700 0 40 HJAB CCOc1ccccc1NC(=O)[C@@H](Oc1ccc(-c2nnco2)cc1)c1ccccc1 5429309 UYNJUGVORJAXPN-QFIPXVFZSA-N 415.449 4.894 0 40 HJAB Cc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4Cl)cc3n2)cc1 6234071 NRYRXPXYRLPGIB-UHFFFAOYSA-N 406.873 4.708 0 40 HJAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(Br)cc1 6615747 LBCZBNHWWNUPFA-UHFFFAOYSA-N 418.360 4.566 0 40 HJAB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)N1N=NN(c3ccccc3)C1=N2 6831382 LRKCKYZHIKIHLT-NRFANRHFSA-N 406.453 4.771 0 40 HJAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1 7408366 HMGBAORQDIOLDE-UHFFFAOYSA-N 400.569 4.900 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCn1cnc2ccccc21 8174111 XVANXSQLZXBUEA-UHFFFAOYSA-N 412.852 4.612 0 40 HJAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O 8396219 HLVPHXAROIRXIE-NTEUORMPSA-N 423.899 4.684 0 40 HJAB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2)n1 8664935 ZQFGSIHMIKZNOP-FQEVSTJZSA-N 402.837 4.900 0 40 HJAB Cn1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nnc1-c1ccccc1 9834234 QORJXWBWUSSZRC-UHFFFAOYSA-N 408.527 4.654 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2C(=O)c2ccccc2)cc1 10060330 VMZVNQDGAGWEKX-BJKOFHAPSA-N 424.504 4.976 0 40 HJAB O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccc(-c2ccccc2)cc1 10509439 VGKSRFYQJIEKTQ-UHFFFAOYSA-N 413.452 4.759 0 40 HJAB CCN(C(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O)c1ccccc1C 10665392 DQEDFJDAJFBBBR-UHFFFAOYSA-N 423.563 4.856 0 40 HJAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc4ccccc4c3)ccc21 12033897 CERWRPVORQWICV-UHFFFAOYSA-N 408.523 4.585 0 40 HJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3ccccn3)cc2N1 12182365 IFBWRYALKPYCER-RYQLBKOJSA-N 421.467 4.589 0 40 HJAB COc1ccc(-n2cnn(CN(C)[C@H](C)c3nc4ccccc4s3)c2=S)cc1 12551312 NHGBHZKUGGTQGA-CQSZACIVSA-N 411.556 4.672 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2c(Cl)ccc(C)c2Cl)c(C)c1 12698016 MXQREDBHPGYFHH-UHFFFAOYSA-N 422.356 4.736 0 40 HJAB Cc1ccc2c(C)c(CCC(=O)Nc3ccc(Br)cc3)c(=O)oc2c1 12790657 QWQBOZMKCIMCEP-UHFFFAOYSA-N 400.272 4.744 0 40 HJAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc(OC)c1OC 12982742 LJIQPRNHUBFIRP-SXSDINLZSA-N 424.522 4.699 0 40 HJAB CSc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 13679282 LHQINGMIYGAXJR-UHFFFAOYSA-N 418.565 4.547 0 40 HJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 14582604 PCFIRQQGIJIPAB-GFCCVEGCSA-N 405.932 4.890 0 40 HJAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccccc1 14666354 WJCGKNWDGUWZCA-UHFFFAOYSA-N 416.521 4.932 0 40 HJAB CC[C@H](C)n1c(SCc2cc(=O)oc3c(C)c(O)ccc23)nc2ccccc2c1=O 16046353 NOVMCIATHNLCRS-ZDUSSCGKSA-N 422.506 4.780 0 40 HJAB CCn1c(SCC(=O)Nc2ccccc2)nc2c(-c3ccccc3)csc2c1=O 16845101 KMVXZUMIBWMOTN-UHFFFAOYSA-N 421.547 4.876 0 40 HJAB CC(C)c1cc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)no1 19452666 LSXMJXHOJODJEL-UHFFFAOYSA-N 404.510 4.586 0 40 HJAB Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)c(C)c1Cl 19578095 PXABJQLLDUQODE-MGPUTAFESA-N 410.949 4.744 0 40 HJAB CCC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(C(F)(F)F)cc1 19694486 QSDNUNRMYKZSSJ-KRWDZBQOSA-N 406.452 4.692 0 40 HJAB C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(OCc2ccccc2)cc1 24829058 IJGXTYBWDSJKSV-SFHVURJKSA-N 418.493 4.866 0 40 HJAB CC(C)c1ccccc1OC[C@@H](O)COc1ccccc1C(=O)Nc1ccccc1 24829592 YPOUBQZOVOVGRZ-HXUWFJFHSA-N 405.494 4.881 0 40 HJAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1-c1nnnn1C1CC1 24842650 IVWBEKDXAHUYRM-UXBLZVDNSA-N 400.269 4.634 0 40 HJAB O=C(CSc1nnc(-n2cccc2)n1Cc1ccccc1)Nc1cccc(Cl)c1 28534738 LHYKRFDQXHYBMX-UHFFFAOYSA-N 423.929 4.501 0 40 HJAB CC1CCN(CCC(=O)C[C@H](c2ccccc2)c2c(O)c3ccccc3oc2=O)CC1 31841659 KVSDYLTUWJAGOT-JOCHJYFZSA-N 419.521 4.712 0 40 HJAB Cc1nc2cc(NC(=O)c3cnn(-c4ccccc4F)c3-n3cccc3)ccc2o1 32451781 BACXSSKHIHMTQB-UHFFFAOYSA-N 401.401 4.504 0 40 HJAB O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)NCCC1=CCCCC1 33325971 YCBLZVBBTLPYSD-IBGZPJMESA-N 411.571 4.747 0 40 HJAB C[C@]1(C(=O)Nc2ccc(Cl)cc2)CCC(=O)N1Cc1ccc(C(F)(F)F)cc1 33434016 RYUJEVPHCJOCBT-LJQANCHMSA-N 410.823 4.879 0 40 HJAB OCc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 44198736 MUQMQLFDASOHAU-UHFFFAOYSA-N 406.501 4.936 0 40 HJAB CCCCOc1ccc2oc(C)c(C(=O)NCCc3ccc(OC)c(OC)c3)c2c1 46086380 GAXWFAGPCDVEMS-UHFFFAOYSA-N 411.498 4.910 0 40 HJAB O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccc(Cl)cc1F 67298152 YMHCDBSGABZILW-NKFKGCMQSA-N 415.833 4.872 0 40 HJAB COc1ccc(-c2nnc(N3CCc4c(nc(C(C)C)n4C)C3)c3ccccc23)cc1 96006387 XLEJANWQZWCBTK-UHFFFAOYSA-N 413.525 4.725 0 40 HJAB Cc1ccc([C@@H](F)[S@@](=O)(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 100258995 QYIORVVFWWAAOH-RXFWQSSRSA-N 403.500 4.879 0 40 HJAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2)C1=O 214479948 QUMIHXXUTVGUNZ-DQPIFXJKSA-N 410.495 4.539 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 223084160 VCBNKAXLNUWANW-OALUTQOASA-N 414.977 4.831 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 223270843 NEVCCCKVYUWUSI-OAQYLSRUSA-N 412.599 4.809 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 223809212 GXLVTQYWPBROIP-OAQYLSRUSA-N 418.940 4.745 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 224243210 BZKAVWFQQVZWTN-IBGZPJMESA-N 414.977 4.689 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 224761267 GXUKGHMPFZEBQJ-QHCPKHFHSA-N 412.549 4.646 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 224912321 SEBCCBOBFHEWNU-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 224976999 AVQIFHPPGBOYCE-VQTJNVASSA-N 412.599 4.809 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 225096316 MFZVNYAZMKJOND-VQTJNVASSA-N 412.599 4.809 0 40 HJAB CC(C)n1c(=O)sc2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 225147703 UBLBPMJSSKJBMV-UHFFFAOYSA-N 417.339 4.752 0 40 HJAB O=C(COc1ccccc1F)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257199901 ABEQQECFRFHABE-HXUWFJFHSA-N 412.436 4.676 0 40 HJAB CN(C)c1cc([C@@H]2CCCN(Cc3ccccc3OCc3ccccn3)C2)ccn1 257233004 GNIFMUBSJALMLF-OAQYLSRUSA-N 402.542 4.501 0 40 HJAB COc1cccc(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)c1 257307775 TUBUZYZDQLDNMT-QFIPXVFZSA-N 408.473 4.709 0 40 HJAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CN(C(=O)C(C)C)CCO2)n1 257332246 XWKDVTFUXOMNBJ-HXUWFJFHSA-N 406.448 4.556 0 40 HJAB Cc1nc(-c2ccc(S(=O)(=O)N[C@H](c3ccsc3)c3cccs3)cc2)co1 390830605 MDSGFFSKIMUUFI-LJQANCHMSA-N 416.549 4.841 0 40 HJAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1NC(=O)c1ccccc1C 408556578 IPYXCEXTYXAXBZ-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CCOC(=O)CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1 408583861 XWUVVCICHTWWIG-UHFFFAOYSA-N 421.238 4.580 0 40 HJAB CCOc1ccc(Cl)cc1C(=O)Nc1ccc(I)cc1 408587090 PYKXSPXBVAXQOV-UHFFFAOYSA-N 401.631 4.596 0 40 HJAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1C 408663782 NTOFOIPTZIMDSI-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2cc3c(cc2Cl)OCO3)S1 408800790 RABLESCYFGDMAR-UHFFFAOYSA-N 408.286 4.794 0 40 HJAB COc1ccc(CCCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2)cc1 409015931 PRBDYEJKSBJAGL-UHFFFAOYSA-N 411.527 4.601 0 40 HJAB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)cc(Br)c1OC 409116646 OJGQYJVZTIIDBP-GDNBJRDFSA-N 402.288 4.764 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(C)c(C)c2)cc1 409175580 ZYYAPMNDSPJNJP-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB O=C(c1cc2c(Cl)cccc2[nH]1)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 409414564 MUMOMJJBRFKSKD-IFOZNXLVSA-N 409.961 4.857 0 40 HJAB Cc1cc(C(=O)NCc2cccc3c2OCCCO3)c(C)n1[C@H](C)c1ccccc1 1150101970 WRVWRKAQZMMGHU-GOSISDBHSA-N 404.510 4.806 0 40 HJAB CCS(=O)(=O)Nc1ccc(NC(=O)NCC[C@H]2C[C@H](C)CC(C)(C)C2)cc1C 1668316341 IDXYWSCWDVXJLH-RDJZCZTQSA-N 409.596 4.731 0 40 HJAB COc1ccc(Cl)cc1-c1nc(-c2ccc(NC(=O)c3ccccn3)cc2)no1 623076 STOXVBQHQFYJSE-UHFFFAOYSA-N 406.829 4.713 0 40 HJAB Cc1ccc(-c2csc(NC(=O)c3cccc(I)c3)n2)cc1 706983 ILYBJEVRKGAJDS-UHFFFAOYSA-N 420.275 4.975 0 40 HJAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Br)cc1 2264036 ZFWMWIUCNBPDOG-HOYKHHGWSA-N 412.264 4.535 0 40 HJAB COc1cc2c(cc1OC)-c1cc(Oc3ccc(Cl)cc3Cl)nc(=O)n1CC2 2328799 WAYGTLUGNABCDB-UHFFFAOYSA-N 419.264 4.583 0 40 HJAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2Cl)N2C(=O)[C@@H](C)SC2=N1 2701709 YQXRMLNCJYTHIF-BMIGLBTASA-N 413.326 4.594 0 40 HJAB CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2 2739276 HLGXDMJKCJBAAC-UHFFFAOYSA-N 401.528 4.774 0 40 HJAB Cc1ccc(C(=O)[C@H](c2ccc(C)cc2)N2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 3375845 MQXMUVPYLWHCEN-BKMJKUGQSA-N 412.489 4.695 0 40 HJAB CC(C)(C)N1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CC1=O 4386044 VOASJAFOCIRSDJ-MRXNPFEDSA-N 411.933 4.883 0 40 HJAB CC1(C)C[C@@H](NC(=O)c2ccccc2F)C[C@@](C)(CNC(=O)c2ccccc2F)C1 4628622 AIQJSODFQSVULY-VOIUYBSRSA-N 414.496 4.710 0 40 HJAB COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(C)cc3)o2)cc1C 4699166 RVBHINOVWQCHCI-UHFFFAOYSA-N 411.527 4.601 0 40 HJAB Cc1ccc(S(=O)(=O)N2c3ccccc3N(C(=O)c3ccccc3)[C@@H]2C(C)C)cc1 4778675 AGFJMPNGBCAUNB-QHCPKHFHSA-N 420.534 4.833 0 40 HJAB O=S(=O)(c1ccc2ccccc2c1)N1CCn2cccc2[C@H]1c1ccc(F)cc1 4853915 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JSHCCVALKWZBEJ-UHFFFAOYSA-N 414.469 4.701 0 40 HJAB Cc1ccccc1-n1cnnc1SCC(=O)N[C@H](c1ccccc1)c1cccs1 9208455 UVUMSTRRXBMRSD-OAQYLSRUSA-N 420.563 4.635 0 40 HJAB CC(C)c1ccc([C@@H](NC(=O)Cc2n[nH]c(=O)c3ccccc23)c2cccs2)cc1 10102431 RCSFEEOYXDVRQU-HSZRJFAPSA-N 417.534 4.556 0 40 HJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10446979 HEKBDXXOAMCCPU-OAHLLOKOSA-N 402.947 4.698 0 40 HJAB COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cccc(Cl)c1C 11613725 WNZJAXNRGYJREJ-UHFFFAOYSA-N 404.713 4.529 0 40 HJAB CN(Cc1nc2ccccc2n1CCOc1ccccc1Cl)C(=O)c1ccco1 11667125 FZCVECKCICHNQM-UHFFFAOYSA-N 409.873 4.634 0 40 HJAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)CSc3ccncc3)no2)cc1 12143922 BNWUBPKLLFWRQZ-NRFANRHFSA-N 423.538 4.981 0 40 HJAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)[C@@H]3CC=CCC3)cc2n1 12230145 HTAFZCVTEOOLPE-RHSMWYFYSA-N 406.452 4.720 0 40 HJAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCc2ccco2)cc1 12419616 DSCNWSDWRSWOSI-UHFFFAOYSA-N 400.481 4.749 0 40 HJAB COc1cc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc(Cl)c1OC(C)C 12541487 XYLJKWBCILKLIB-HNNXBMFYSA-N 413.905 4.813 0 40 HJAB CCC[C@H](CNC(=O)COc1ccc(CC(=O)O)cc1)c1ccc(Cl)cc1Cl 12756152 TXRKTMVCOPPPLX-OAHLLOKOSA-N 424.324 4.699 0 40 HJAB CCOC(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 12894609 ZBGGKJIFPPMNEZ-UHFFFAOYSA-N 418.375 4.712 0 40 HJAB CCOc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1OCC 12974593 DSVGQOVXINXDAE-UHFFFAOYSA-N 407.426 4.841 0 40 HJAB O=C(Cc1noc2ccccc12)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 14504780 BYTCFIFXAQGPJM-UHFFFAOYSA-N 422.488 4.599 0 40 HJAB Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)c1 15882137 SJRVNDABZJWNNR-UHFFFAOYSA-N 422.554 4.633 0 40 HJAB Cc1ccc(NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)Nc1cccc(Cl)c1 15913442 FNRPHUNYNNIJIV-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB O=C(Nc1ccc2c(c1)ncn2C1CCCCC1)c1cccc(CN2CCCC2=O)c1 19660470 UAARJOTWDPIXGW-UHFFFAOYSA-N 416.525 4.916 0 40 HJAB COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1Br 19679063 VYEVATXDLJEHIL-UHFFFAOYSA-N 403.045 4.612 0 40 HJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 20152894 CEKMZYGKSSTEOY-UHFFFAOYSA-N 424.522 4.661 0 40 HJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OC)c(OC)c1 21580346 CSXSZHSNVCOGHQ-UHFFFAOYSA-N 403.438 4.508 0 40 HJAB COc1ccc(-c2cnc3cc(-c4ccc(C(C)(C)C)cc4)nn3c2N)cc1OC 21728676 INKVYCWNJBVITO-UHFFFAOYSA-N 402.498 4.960 0 40 HJAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccccc2C)cc1 22275164 NAIJMWMYXZSWJM-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(C)C)c(Br)c1 23074364 SGQWGYJFTMRJNW-ZDUSSCGKSA-N 420.303 4.765 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(Cl)c3cccnc23)c1 24458792 CCGGSZJISSVZSU-UHFFFAOYSA-N 409.902 4.756 0 40 HJAB O=C(Nc1ccccc1C(=O)NC1CC1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 24979570 TVDJMGMLULRLMI-DEOSSOPVSA-N 424.504 4.525 0 40 HJAB CCCN(Cc1coc(-c2cccc(F)c2)n1)S(=O)(=O)c1ccc(Cl)cc1 26777319 NRUDYEKKUXGUIM-UHFFFAOYSA-N 408.882 4.735 0 40 HJAB NC(=O)Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1 32046636 PUTNTNKNGYZHAR-UHFFFAOYSA-N 415.880 4.835 0 40 HJAB CSCc1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 32930124 MZXALPIOWGKMGQ-UHFFFAOYSA-N 412.536 4.603 0 40 HJAB CN1c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2-c2ccccc2S1(=O)=O 33088682 SKJVIHFEAZOFNI-UHFFFAOYSA-N 416.861 4.537 0 40 HJAB Cc1ccc(-n2nc3c(c2NC(=O)/C=C\c2ccc4c(c2)OCO4)CSC3)cc1C 35306142 ZEALJEHYUHRFEY-YVMONPNESA-N 419.506 4.617 0 40 HJAB O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 35414105 SFYQCAPQRZATRN-RUZDIDTESA-N 423.516 4.550 0 40 HJAB COC(=O)c1ccc(-c2nc3ccc(C)cn3c2Nc2ccc(OC)c(OC)c2)cc1 35616461 QIZXFWCNTVJFDB-UHFFFAOYSA-N 417.465 4.857 0 40 HJAB Cc1c(C(=O)Nc2ccccc2)cnc2c(-c3ccc(Br)cc3)cnn12 38829609 VKXFIBIFXYHDDF-UHFFFAOYSA-N 407.271 4.720 0 40 HJAB Cc1nc(-c2ccccc2)ccc1C(=O)NCc1cccc(NC(=O)c2cccnc2)c1 40071888 IBNYOZVUWZJWAJ-UHFFFAOYSA-N 422.488 4.634 0 40 HJAB O=C(NCc1cccc(C(F)(F)F)c1)Nc1ccc(NC(=O)c2ccco2)cc1 40104463 DHFPCSNJVOFNAK-UHFFFAOYSA-N 403.360 4.872 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 44848862 FEPCQMIPXHDLPG-UHFFFAOYSA-N 400.478 4.678 0 40 HJAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)N[C@H](C)c3ccccc3)n2)cc1 46012201 YFKSJMPGXMVKFD-GOSISDBHSA-N 413.477 4.968 0 40 HJAB O=C(Nc1cccnc1N1CCSCC1)c1ccc(C2SCCCS2)cc1 51988936 NSCRSICSGIXOKN-UHFFFAOYSA-N 417.625 4.756 0 40 HJAB COc1cc(NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c(OC)cc1Cl 56560046 NBAZVLQXODFWTC-SFHVURJKSA-N 411.285 4.616 0 40 HJAB CCN(CC)c1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cn1 58438444 GLTVNVQXAYHKNY-UHFFFAOYSA-N 403.486 4.824 0 40 HJAB CN(C)c1ccc(-n2c(SCc3ccccc3F)nc3ccccc3c2=O)cc1 67259072 HRIJWVGOZGURSR-UHFFFAOYSA-N 405.498 4.883 0 40 HJAB O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(F)ccc1F 67292928 YHHUATHEMYIGCH-UZGAPFOWSA-N 418.827 4.506 0 40 HJAB O=C(C1CC1)N1CCCCC[C@H]1C1CCN(Cc2ccccc2Br)CC1 70040909 FUKFDNWVUQHSMQ-NRFANRHFSA-N 419.407 4.842 0 40 HJAB COc1ccc(C)cc1CN1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 72330773 FFUFRNCBEZQEJL-CVDCTZTESA-N 409.574 4.514 0 40 HJAB c1ccc(-c2cnc3c(c2)[C@@H](N2CCCC2)n2nc(-c4ccncc4)nc2S3)cc1 72396298 YCWUUZVUOSVNAS-QFIPXVFZSA-N 412.522 4.509 0 40 HJAB COc1cc(NC2=NC(=O)S/C2=C\c2cccc3cccnc23)cc(OC)c1OC 72400762 KABSGDUCHUNQTF-ZDLGFXPLSA-N 421.478 4.979 0 40 HJAB COCCn1ccc2c(NC(=O)Cc3csc(-c4cccc(OC)c4)n3)cccc21 72401590 FQVGZPCAXQVYTB-UHFFFAOYSA-N 421.522 4.601 0 40 HJAB CCn1c(C2CC2)nn(CN2C[C@H](c3ccccc3Cl)OCC2(C)C)c1=S 83836819 YBJHOYAIMHQOMJ-QGZVFWFLSA-N 406.983 4.774 0 40 HJAB COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3OC)C2)c(OC)c1 95945318 AGDIWEMYBCDYOA-IBGZPJMESA-N 422.506 4.765 0 40 HJAB COCCn1c(C(=O)NCc2ccccc2OC)cc2c1c1ccccc1n2C(C)C 96037316 FZLAZUBWNBKADR-UHFFFAOYSA-N 419.525 4.762 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cccc(OC(F)F)c2)S1 96117958 HLYYHQLIGMENQV-XJKSGUPXSA-N 423.485 4.794 0 40 HJAB Fc1cc2c(Br)cc(C(F)(F)F)nc2cc1I 96171874 IAGOXEVHKNDTML-UHFFFAOYSA-N 419.941 4.760 0 40 HJAB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102702855 XDFUWSLMORUIPV-RBZQAINGSA-N 412.489 4.663 0 40 HJAB COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C1CC1)[C@H](C)c1ccc2c(c1)OCCCO2 107047410 YJIBVAVZLRYIHI-TYCQWZJGSA-N 407.510 4.712 0 40 HJAB C[C@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219050973 XLTIZAYVUBZPSH-HNNXBMFYSA-N 421.884 4.969 0 40 HJAB Cc1ccc(N2CCC(C(=O)N(C)Cc3nc(-c4ccccc4Cl)no3)CC2)cc1 219866727 WAGITBPVRGERLI-UHFFFAOYSA-N 424.932 4.573 0 40 HJAB Cc1ccc(CN(C(=O)CCCOc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222769978 DKXRJJZOSVEQBY-OAQYLSRUSA-N 424.585 4.794 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(OC(C)C)cc2)c1 223619465 XGUZNDTYQIEZIA-JCMHNJIXSA-N 404.466 4.785 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 224095007 UQIKOFOHVWCEEG-FQEVSTJZSA-N 418.990 4.517 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 224394964 XZVASTNXKTVPPM-XMMPIXPASA-N 424.560 4.851 0 40 HJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 224553240 RTUPKMULEYNNCS-INIZCTEOSA-N 403.504 4.766 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NCC(C)C)cc1 224656944 IHHVLXRGNUSIMR-XMMPIXPASA-N 424.585 4.516 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 224740167 WCGCXOLQZQLKGF-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 225092008 DCWDKDKUOROOGE-IAGOWNOFSA-N 418.940 4.662 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 225194713 LUACCGIECMWAJN-HXUWFJFHSA-N 418.990 4.766 0 40 HJAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1CCOc1ccccc1 229979889 USFKMDZKSWXSFB-FATVKVNYSA-N 423.512 4.804 0 40 HJAB O=C(COc1ccc(F)cc1F)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257225382 FFYKPDUSTKMFJW-FQEVSTJZSA-N 412.436 4.676 0 40 HJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260816836 QZYRBDFGIZBLAJ-GBXCKJPGSA-N 404.595 4.967 0 40 HJAB COc1cc(C(=S)N2CCOCC2)cc(Cl)c1OCc1ccc(Cl)cc1 408571351 BFEPAYLKMAOICI-UHFFFAOYSA-N 412.338 4.589 0 40 HJAB COc1c(F)c(F)c(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c(F)c1F 408624525 XQEIVYWURNCUAC-UHFFFAOYSA-N 402.775 4.758 0 40 HJAB CSCc1c(C(=O)N2CCN[C@@H](c3ccccc3Cl)C2)oc2ccccc12 619777504 DGGRNJWBGAFGAA-GOSISDBHSA-N 400.931 4.736 0 40 HJAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@H](O)c1ccc(-c2cccs2)o1 1889084205 CQWNTEGVYLPEFY-HNNXBMFYSA-N 409.429 4.809 0 40 HJAB COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3ccccc3)cc2c1 931535 GLFBELCATJWMKG-UHFFFAOYSA-N 419.506 4.529 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccccc1 948679 WBZJZXUARJADRL-UHFFFAOYSA-N 420.412 4.759 0 40 HJAB COc1cccc(N2C(=O)c3cc(C)nc(SCc4ccccc4F)c3C2=O)c1 1405642 DLDZMMZHJURNJR-UHFFFAOYSA-N 408.454 4.631 0 40 HJAB CC(C)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 1410963 ONVDMPRTNOBDLZ-UHFFFAOYSA-N 408.523 4.644 0 40 HJAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccccc1)N1C(=N2)C(O)=Nc2ccccc21 2260989 SEVATUANDXGNGN-OAQYLSRUSA-N 406.449 4.817 0 40 HJAB CSc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2407276 DRXFIQWANYJXMJ-FQEVSTJZSA-N 421.449 4.992 0 40 HJAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1Cc1ccco1 2409682 HVKIZNNKQOYDFR-LJQANCHMSA-N 409.800 4.924 0 40 HJAB CCCCc1nc2sc3c(NCCN(C)C)nc(SC)nc3c2c2c1CCC2 2426053 OADRGDFOTLDEFA-UHFFFAOYSA-N 415.632 4.766 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1 3114504 IJWFSHRVLFTAGS-MHWRWJLKSA-N 419.300 4.564 0 40 HJAB CCN(CC)[P@@]1(=O)OC(c2ccc(F)cc2)=Nc2c1c(C)nn2-c1ccccc1 3171709 PVCUUNMOQBREEG-LJAQVGFWSA-N 412.405 4.589 0 40 HJAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1OC(F)F 3281708 CBOCKVYYYXVENE-SOFGYWHQSA-N 416.207 4.790 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](Nc1ccc2c(c1)OCCO2)c1ccccc1 3332677 LICQMFPOSRUHQC-QHCPKHFHSA-N 404.466 4.567 0 40 HJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)c1c(C)[nH]c2ccccc12 3375621 GCRBSUNMOGXWKY-UHFFFAOYSA-N 421.884 4.723 0 40 HJAB CCN(CC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 3483288 MJVBMPCHZTZOBT-UHFFFAOYSA-N 414.962 4.857 0 40 HJAB COC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC 3658724 FXKQHHWIDCWPAT-OAHLLOKOSA-N 419.506 4.750 0 40 HJAB COc1cc(-c2nnc(CSc3nc4ccccc4s3)o2)cc(OC)c1OC 4195266 ZLCSGICJWKGNJV-UHFFFAOYSA-N 415.496 4.664 0 40 HJAB Cc1ccc2sc(N(CCN(C)C)C(=O)CCSc3ccccc3)nc2c1C 4359389 BBXHUNYCYUILHZ-UHFFFAOYSA-N 413.612 4.990 0 40 HJAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(Cl)c2)n1 5157639 KZKFAAPIFUQNGD-HXUWFJFHSA-N 402.837 4.900 0 40 HJAB Fc1ccc(N2CCN(C(=S)c3ccc(OCc4ccccc4)cc3)CC2)cc1 5590856 MIUAWIKCURJQPJ-UHFFFAOYSA-N 406.526 4.902 0 40 HJAB O=C(Nc1ccccc1Cl)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCCC1 5626485 PSDXCHRRNJYKNO-UHFFFAOYSA-N 410.905 4.943 0 40 HJAB CCCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2cc(OC)ccc2OC)n1 5826168 XCMYNESIQOQCKI-UHFFFAOYSA-N 403.482 4.930 0 40 HJAB biogenic Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(N4CCCCC4)cc3)o2)cc1 5864536 FTSYNJOSJNVWKJ-UHFFFAOYSA-N 408.527 4.766 0 40 HJAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)N(Cc2ccccc2)c2ccccc23)cc1F 6997033 IXNIICQIVOEAIR-DEOSSOPVSA-N 418.493 4.614 0 40 HJAB CCc1ccc(NC(=O)[C@H](C)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 7243524 OBDYPDSHIMUBPG-KRWDZBQOSA-N 403.530 4.673 0 40 HJAB Cc1sc2nc(SCC(=O)N(C)C3CCC(C)CC3)n(C(C)C)c(=O)c2c1C 7437092 QZMMQJWWMVZFCE-UHFFFAOYSA-N 421.632 4.785 0 40 HJAB COc1cccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 7609885 KVDNLPCWVWNROM-OAQYLSRUSA-N 408.885 4.849 0 40 HJAB O=C(N[C@@H]1CCOc2ccccc21)c1cc(-c2ccccc2)c(N2CCOCC2)s1 7808496 BRZAXXGSYCPHGV-HXUWFJFHSA-N 420.534 4.505 0 40 HJAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)NC(c1ccccc1)c1ccccc1 8132860 YTGVTBKIEZVQLG-LJQANCHMSA-N 413.521 4.520 0 40 HJAB CCOc1cc(CNn2c(CC)n[nH]c2=S)ccc1OCc1ccc(Cl)cc1 8339169 XWWVYRNSWUEBND-UHFFFAOYSA-N 418.950 4.878 0 40 HJAB CCn1c(SCc2cc3c(cc2Br)OCO3)nnc1-c1ccccc1 9779911 XIYGJKZDHLHZFQ-UHFFFAOYSA-N 418.316 4.749 0 40 HJAB NC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)c1cccs1 10493258 HRHGMMRHHLSPSA-INIZCTEOSA-N 415.902 4.932 0 40 HJAB CN(Cc1ccccc1)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1 12419567 QACGHDMLVLOMLC-UHFFFAOYSA-N 410.520 4.872 0 40 HJAB COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(C)cc1C 12520939 JBBXKEFDNVOLJY-UHFFFAOYSA-N 404.713 4.529 0 40 HJAB O=C(NCc1nc(-c2ccccc2Cl)no1)C(c1ccccc1)c1ccccc1 12654987 QUOFUMVCLOZSPH-UHFFFAOYSA-N 403.869 4.838 0 40 HJAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)NCCCOC(C)C)cc1 12728461 WISBOUKUSXPGLX-UHFFFAOYSA-N 412.505 4.847 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4cccc(C)c4C)c(=O)c23)s1 12747377 JKAZWURITRSELG-UHFFFAOYSA-N 409.536 4.750 0 40 HJAB CC[C@@H](CNC(=O)[C@@H](C)Sc1nnc(-c2ccc(C)cc2)n1C)c1ccccc1 12908013 UDXVNEPBGYLFEI-MSOLQXFVSA-N 408.571 4.581 0 40 HJAB COc1ccc(CNC(=O)[C@@H](C)Sc2cc(C)c3cccc(C)c3n2)cc1OC 12934249 KQAPNBSOMGZBTK-MRXNPFEDSA-N 410.539 4.666 0 40 HJAB CCc1cccc(C)c1NC(=O)[C@H](Sc1ncnc2nc[nH]c12)c1ccccc1 13572713 KHQNWRBFWWDWBH-LJQANCHMSA-N 403.511 4.696 0 40 HJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)c1 13711851 CZNJUCWEUUULRC-FSSWDIPSSA-N 418.880 4.700 0 40 HJAB O=C(CSc1ccc(Br)cc1)Nc1nnc(-c2ccccc2)s1 18702798 ZYBZGZZKDGZFFB-UHFFFAOYSA-N 406.330 4.698 0 40 HJAB COc1ccccc1N1CCN(Cc2ccc(C(=O)Nc3ccc(C)cc3)cc2)CC1 20241843 ULONFGAEAAPTEP-UHFFFAOYSA-N 415.537 4.578 0 40 HJAB O=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1cccc2ccccc12 20664727 DKXYHGGFZWIXTJ-UHFFFAOYSA-N 403.526 4.596 0 40 HJAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 22356732 BIONPQFARKGSAM-UHFFFAOYSA-N 422.706 4.543 0 40 HJAB O=C(Nc1ccc(OC2CCCC2)cc1)C1(S(=O)(=O)c2ccccc2)CCCC1 23056649 PJYYIYKYLYOODK-UHFFFAOYSA-N 413.539 4.733 0 40 HJAB C[C@@H](c1ccccc1)N1CCn2c(nc3cc(C(=O)NC4CCCCC4)ccc32)C1 23411559 DUJFDWIASAFYOB-SFHVURJKSA-N 402.542 4.676 0 40 HJAB CCC[C@]1(c2ccccc2)NC(=O)N(Cc2coc(-c3ccc(C)cc3C)n2)C1=O 24764083 HOCLGOTUYXINRB-XMMPIXPASA-N 403.482 4.706 0 40 HJAB COC(=O)c1occc1CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 24972806 JGIHWHLBJZESBW-UHFFFAOYSA-N 423.469 4.804 0 40 HJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 25144428 UARVJLRWIFPMFV-OCCSQVGLSA-N 401.816 4.560 0 40 HJAB CCCCOc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c2ccccc12 28252170 YWTBPKNUFNCRCH-UHFFFAOYSA-N 418.603 4.606 0 40 HJAB O=C(Cc1ccc(Br)cc1)Nc1cnn(Cc2c(F)cccc2Cl)c1 28574327 MHENZKUKXVZYRE-UHFFFAOYSA-N 422.685 4.668 0 40 HJAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccccc1OC(F)F 29138529 UECNZQDRPAVODZ-CYBMUJFWSA-N 404.388 4.892 0 40 HJAB CCc1ccc(OCC(=O)Nc2nc(-c3ccc(Br)s3)ns2)cc1 32594241 IPWQESNEMNZBHI-UHFFFAOYSA-N 424.345 4.609 0 40 HJAB Cc1ccc(S(=O)(=O)c2ncn(Cc3ccccc3)c2NCc2ccccc2)cc1 32617732 CFZZCJXZGRGYDE-UHFFFAOYSA-N 417.534 4.685 0 40 HJAB Cc1cccn2c(=O)cc(CSc3ccccc3NC(=O)c3cccs3)nc12 33026014 HDHPWLZAEBEOGV-UHFFFAOYSA-N 407.520 4.609 0 40 HJAB O=C1N=C(O)/C(=C\c2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccco1 34880096 XWLRHUQIJVGKMO-LDADJPATSA-N 420.396 4.500 0 40 HJAB O=C(NCCSCc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38848546 JDTGIFPLIHJTAG-LJQANCHMSA-N 420.981 4.741 0 40 HJAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 44852979 JGRIOVAOKKKOIR-NRFANRHFSA-N 414.549 4.751 0 40 HJAB Cc1nc2ccc(NC(=O)C[C@@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)cc2o1 58357852 UDLZZJVXDLAJMN-INIZCTEOSA-N 421.400 4.597 0 40 HJAB Fc1cccc(CNc2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)c1 72339475 VSSXSUBJLGMCFW-UHFFFAOYSA-N 400.413 4.686 0 40 HJAB O=C(Nc1cnc(Br)cn1)[C@@H](Sc1ccccc1)c1ccccc1 78899459 SJFUXDKQGDVOKW-KRWDZBQOSA-N 400.301 4.711 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)(C)C 222823297 ANANUOHZEIKOMB-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB CCCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 222840637 AQCMQESWKBWNFP-GOSISDBHSA-N 400.950 4.606 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccnc1 222909680 MZVGDEFMUGNCLQ-FCHUYYIVSA-N 405.571 4.513 0 40 HJAB COc1ccc(-c2nnc(NC(=O)CSCc3ccc(Cl)cc3)s2)cc1 223171037 GYFCHQMCSVEDCR-UHFFFAOYSA-N 405.932 4.739 0 40 HJAB Cc1ccccc1[C@@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224201689 GUPFPHGSNPNZGF-LJQANCHMSA-N 422.550 4.620 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 224223924 IVPXXGHIEHICKS-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB CCC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224320685 DWKFSXNXEIJCPZ-HXUWFJFHSA-N 400.950 4.605 0 40 HJAB Cc1cccc(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)c1 224731765 RZWUCCWPNQWZJL-NRFANRHFSA-N 406.570 4.712 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 225155917 ICBWSKSLJNFXKX-QHCPKHFHSA-N 424.585 4.633 0 40 HJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225324494 XDOOVGBLLSLNQW-INIZCTEOSA-N 403.891 4.663 0 40 HJAB O=C(Nc1ccc(OCCCN2CCCCC2)cc1)C1(c2ccccc2)CCOCC1 225561656 HREHBWLXWCTHED-UHFFFAOYSA-N 422.569 4.628 0 40 HJAB O=C(CNC(=O)c1ccc(COc2ccc(Cl)cc2)o1)Nc1ccccc1Cl 408563373 VOEHBVCQRYWLPW-UHFFFAOYSA-N 419.264 4.534 0 40 HJAB CCOc1cc([C@H]2NC[C@@H](C(=O)O)S2)ccc1OCc1cccc2ccccc12 408979819 SLIDDRUMJAGKAK-VXKWHMMOSA-N 409.507 4.606 0 40 HJAB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 408980485 RHLHWNLJRJSENY-HSZRJFAPSA-N 422.550 4.660 0 40 HJAB COc1ccc(CN2CCOCCOc3ccc(F)cc3Cc3cccc(c3)C2)cc1 643563047 HPZWDPYJXSQGKN-UHFFFAOYSA-N 421.512 4.836 0 40 HJAB Cc1nc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)ccc1Br 679551 FMAYTRFGPZXEGC-UHFFFAOYSA-N 419.131 4.586 0 40 HJAB COc1cc(C(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)cc(OC)c1OC 800803 HNTDGRQGVCNEMQ-UHFFFAOYSA-N 417.465 4.588 0 40 HJAB CCC(CC)COC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2393344 MAFVYWOYHIODQI-UHFFFAOYSA-N 402.498 4.808 0 40 HJAB O=C(CCc1ccccc1)Nc1ncc2c(n1)C[C@@H](c1ccc(Cl)cc1)CC2=O 2408269 SQITVINFYFFMDR-QGZVFWFLSA-N 405.885 4.614 0 40 HJAB COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2N=CNC2=N3)cc1 2915198 RYTVXORPJAHTBO-LOSJGSFVSA-N 422.488 4.808 0 40 HJAB COc1ccc(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 3244068 UOGYGWDYLHAKHX-UHFFFAOYSA-N 408.837 4.619 0 40 HJAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3c(Cl)cccc3Cl)cc2)n1 3321433 XGKCMRPSDYYKID-UHFFFAOYSA-N 418.280 4.591 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1NC(=O)[C@H](C)Oc1ccccc1 4666214 SVQJUIXIDYANDZ-MOPGFXCFSA-N 418.493 4.807 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc34)n2C)cc1C 4700379 YGVNKKVGAYWVMT-UHFFFAOYSA-N 416.550 4.907 0 40 HJAB COc1cccc(-c2cc(C(=O)NCCN3CCCCC3)c(C)n2-c2ccccc2)c1 4780965 YIZHNBHLWSTGIQ-UHFFFAOYSA-N 417.553 4.677 0 40 HJAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)c1csnn1)c1ccc(C)cc1 4964647 GNCATWHPGYJEDW-HXUWFJFHSA-N 422.554 4.539 0 40 HJAB Cc1cc(C)c(S(=O)(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1C 5137229 GBOBAVUTDWWOOQ-UHFFFAOYSA-N 418.559 4.704 0 40 HJAB COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)c(OC)c1 5256101 CNDFZXVIGAFFHY-OAQYLSRUSA-N 411.889 4.796 0 40 HJAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1ccc(NC(=O)CC(C)C)cc1 5537809 SXWWISDSTMVTCQ-UHFFFAOYSA-N 420.465 4.674 0 40 HJAB CCOCCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccccc1 5980102 CUJFNTVAGLDKND-UHFFFAOYSA-N 407.514 4.606 0 40 HJAB COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3cccc4ccccc34)n2)cc1 6141778 YDVJXYZOVIZVIY-AWEZNQCLSA-N 404.495 4.753 0 40 HJAB COc1ccc(Br)c(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1 6931574 ORVOMJCEAPQRBF-AWEZNQCLSA-N 420.303 4.567 0 40 HJAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccccc1F 8090465 IWHMEWNXRAPWLT-UHFFFAOYSA-N 420.513 4.912 0 40 HJAB Cc1ccccc1-n1c(SCc2ccc3c(c2)OCO3)nnc1-c1cccnc1 8780111 CWLVFIQYSYAXBC-UHFFFAOYSA-N 402.479 4.659 0 40 HJAB Cc1ccc(Nc2nc(Nc3ccc(C(C)C)cc3)nc(N3CCOCC3)n2)cc1 9708926 VSCAUQYAZCIELR-UHFFFAOYSA-N 404.518 4.627 0 40 HJAB O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccco1 9949207 AJYIMUOZFOMYGM-UHFFFAOYSA-N 424.865 4.833 0 40 HJAB COc1cc(Cl)c(NC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1OC 10591415 RFJUYVUPWQVUFV-UHFFFAOYSA-N 418.902 4.953 0 40 HJAB CCc1ccc(NC(=O)CN2c3ccc(CC)cc3-c3ccccc3S2(=O)=O)cc1 11118819 NXTLYUAQYXTIOR-UHFFFAOYSA-N 420.534 4.626 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)NCC2(c3ccccc3)CCCC2)c1 12101383 JRBFFGXLDWNFCJ-UHFFFAOYSA-N 406.555 4.544 0 40 HJAB COC(=O)CC[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 12402839 ZHUOOEGSSFNTNP-ZCHDSUBTSA-N 406.607 4.566 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)[C@]3(C)CC3(Cl)Cl)ccc21 12545453 CZESNKGQUPWQGV-FQEVSTJZSA-N 419.308 4.880 0 40 HJAB C[C@H]1CN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C[C@@H](C)O1 12561502 MUDFBKCKCRBPPG-MRUHUIDDSA-N 424.368 4.570 0 40 HJAB COc1ccc(CNC(=O)[C@H](C)Sc2cc(C)c3cccc(C)c3n2)cc1OC 12934256 KQAPNBSOMGZBTK-INIZCTEOSA-N 410.539 4.666 0 40 HJAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1ccccc1Br 12980832 CRAGPYZGAUEIDZ-LLVKDONJSA-N 402.317 4.767 0 40 HJAB O=c1cc(CSc2nnc(COc3cccc4ccccc34)o2)c2ccccc2[nH]1 13763886 NLOJTGPJACOMRF-UHFFFAOYSA-N 415.474 4.936 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccccc1Cl 14068093 GOUHRFSQPUTRFH-UHFFFAOYSA-N 414.918 4.552 0 40 HJAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2cccc3ccccc23)n1C 14121189 KXSAQXCZWVIBLH-UHFFFAOYSA-N 418.522 4.587 0 40 HJAB Cc1ccc2c(CC(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)coc2c1C 14128687 CSGNEMIFEXMTLO-UHFFFAOYSA-N 421.522 4.677 0 40 HJAB CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccccc1OC 15953513 MSNAJPITWAXSRH-QFZRFWILSA-N 409.526 4.602 0 40 HJAB biogenic O=C(OCc1ccccc1)N1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1 16480284 ORCZNEJKFSJOPS-UHFFFAOYSA-N 424.353 4.645 0 40 HJAB Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cccc(Cl)c2C)c2c(C)nn(C)c2n1 17093359 DGCKSBCXRPKEGO-UHFFFAOYSA-N 422.920 4.508 0 40 HJAB Cc1cc(C)c2c(C3CCN(C(=O)c4ccc(F)cc4)CC3)nn(CC(C)C)c2n1 19118891 GSPKZISJEILBRR-UHFFFAOYSA-N 408.521 4.863 0 40 HJAB Cc1cc(OCC(=O)N2CCC[C@@H](c3cc4ncccc4cn3)C2)cc(C)c1Cl 19569917 BLJIVRDSWRSRKH-GOSISDBHSA-N 409.917 4.685 0 40 HJAB C[C@@H](c1ccccc1)n1c(SCc2nccn2C(F)F)nc2ccccc2c1=O 24718536 KYMXEESCDCAIHJ-AWEZNQCLSA-N 412.465 4.890 0 40 HJAB Cc1cc2occ(CC(=O)NCc3ccc(Cn4ccnc4)cc3)c2cc1C(C)C 30220016 CFTCVKFXZTZQEK-UHFFFAOYSA-N 401.510 4.968 0 40 HJAB CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)N3CCCCC3)no2)cc1 32622954 XNRWTUYEYULIEY-QHCPKHFHSA-N 419.525 4.697 0 40 HJAB Cn1ccnc1C(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 32721699 IWBOXYFFFLGNRN-UHFFFAOYSA-N 409.445 4.527 0 40 HJAB CC(=O)NCCc1ccc(-c2csc(NC(=O)[C@H]3CCCc4ccccc43)n2)cc1 32760077 JHPPNEYEZBMNMM-NRFANRHFSA-N 419.550 4.547 0 40 HJAB Cc1cc(C)c2nc(SCC(=O)Nc3ccc(C(=O)N(C)C)cc3)cc(C)c2c1 32957528 QHYLFIIMQPJWSR-UHFFFAOYSA-N 407.539 4.593 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 33088673 YYIUJHKRDNCDIZ-UHFFFAOYSA-N 412.898 4.706 0 40 HJAB CSc1ccccc1C(=O)N(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C1CC1 36730296 ZAICIGUHEHIDGX-UHFFFAOYSA-N 422.472 4.505 0 40 HJAB NC(=O)c1ccc(NC(=O)CCCCc2ccc(Br)cc2)cc1Cl 40133419 BQUMSQNTZFGVHH-UHFFFAOYSA-N 409.711 4.553 0 40 HJAB Cc1cccc(C)c1NC(=O)Cn1c2ccccc2n2c(=O)cc(-c3ccccc3)nc12 40484861 QUIMNAXLRIMPSF-UHFFFAOYSA-N 422.488 4.572 0 40 HJAB COc1ccc([C@H](C)NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1OC 44839331 KGLJOWXYRCERGI-HNNXBMFYSA-N 401.466 4.738 0 40 HJAB CN(Cc1ccc2ccccc2c1)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 51865183 PZZUNRSSBLTDAY-QFIPXVFZSA-N 401.510 4.742 0 40 HJAB CCCCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC)cc1 57472436 YNBYIVATXIWKOD-UHFFFAOYSA-N 409.555 4.880 0 40 HJAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1c(C)noc1C 62580081 LKRZQVPWJXUQLZ-UHFFFAOYSA-N 407.854 4.958 0 40 HJAB Cc1nc(CCNC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cs1 65492832 PGNOUTKFYNHLLO-UHFFFAOYSA-N 420.991 4.846 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)N(C)c2ccccc2)nc2ccsc2c1=O 67209172 CCUJELASROAQAD-UHFFFAOYSA-N 421.547 4.511 0 40 HJAB Cc1ccc(C[C@H](C(=O)O)[C@H](C)C(=O)Nc2ccc(C)c(Br)c2)cc1 71405934 QGIOWNHMLJCGGK-YOEHRIQHSA-N 404.304 4.584 0 40 HJAB CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C[C@H](C)c2ccccc2)C1 72388973 KVVHGIDFPXOQHE-IDISGSTGSA-N 413.565 4.533 0 40 HJAB Cc1ccc(-c2ocnc2C(=O)N2CCc3cc(Br)sc3C2)cc1 95445835 WMQODZACXBHLRM-UHFFFAOYSA-N 403.301 4.673 0 40 HJAB O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccc2ncsc2c1 96357674 PNRAQCKVEBGMCD-UHFFFAOYSA-N 402.435 4.782 0 40 HJAB OC1(Cn2ccc3ccncc32)C[C@@H]2CC[C@@H](C1)N2Cc1ccc(Cl)c(Cl)c1 100146025 DJDIFVMYVHWIBW-ROUUACIJSA-N 416.352 4.901 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1c(O)c2ccccc2n(CCC(C)C)c1=O 100678069 OYMDYDAVHSOKQX-UHFFFAOYSA-N 414.889 4.668 0 40 HJAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)C1 101419405 LSXPEPGBDZECDM-KPZWWZAWSA-N 413.374 4.555 0 40 HJAB Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 107986261 WIPUMRZLYGYATR-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222626239 JCASXQISTDQUOH-KNXBSLHKSA-N 404.539 4.860 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1cccnc1 222907847 LYXPKHFAEPVAAB-XZOQPEGZSA-N 419.598 4.572 0 40 HJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 224074236 HZOGTDOHRBOEGH-QFIPXVFZSA-N 414.977 4.649 0 40 HJAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)c1C 224168078 RLUIPHXUSCKAOQ-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB CCCC[C@@H](CC)CNC(=O)CCCN(c1ccc(Cl)cc1C)S(C)(=O)=O 224767638 NJSNJJOJBDCGFV-QGZVFWFLSA-N 417.015 4.527 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)CCc3c(Cl)cccc3Cl)n2)c1 225364302 SIUIDFXTSMUVTP-UHFFFAOYSA-N 404.297 4.943 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)ccc1OCC(C)C 225832131 WBZCJMWUXBULKF-SBUREZEXSA-N 405.535 4.822 0 40 HJAB COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)cc1Br 226268765 GSLXFOTXRLSTEP-UHFFFAOYSA-N 418.335 4.529 0 40 HJAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)N[C@H]4CCCOC4)CCOCC3)cc2)c1 257297435 RHFVFLIIKNOPHP-DEOSSOPVSA-N 407.554 4.605 0 40 HJAB CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(CCCc2ccccc2)c(C(=O)O)s1 257331808 XUIOCURUZCZLON-QGZVFWFLSA-N 400.544 4.726 0 40 HJAB Cc1nnc(S/C(=C\c2ccc(Sc3nc4ccccc4s3)o2)C(=O)O)o1 408630488 AHQRDBAMBUEZJM-JYRVWZFOSA-N 417.493 4.950 0 40 HJAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CSCN1C(=O)OCc1ccccc1 408736801 IEGJZPICXLWQBU-INIZCTEOSA-N 411.310 4.644 0 40 HJAB COc1cc(OC)c(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OC)c1 409242834 WCGYZHFOHCSAOF-VCHYOVAHSA-N 419.886 4.602 0 40 HJAB O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2)CCCNc2ccccc2C1 643588617 HTFMGRAABALNMQ-UHFFFAOYSA-N 417.528 4.786 0 40 HJAB CCCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1cccc2c(N(C)C)cccc12 1659787378 VPJGZHICSKPQDL-HSZRJFAPSA-N 408.567 4.994 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(F)c(Cl)c1 724048 CIANHAMSJHYETJ-UHFFFAOYSA-N 407.681 4.678 0 40 HJAB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1cccc(Cl)c1 849797 GJGKNBWIDXWFEV-UHFFFAOYSA-N 424.707 4.883 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cc3ccccc3cc2O)o1 862978 IRKYYSHYZGDJIJ-UHFFFAOYSA-N 405.479 4.943 0 40 HJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCN1CCC(C)CC1 948786 JYNKODULKLPKHI-UHFFFAOYSA-N 400.544 4.652 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)cc1 995892 UFUGZFINAOHGLG-UHFFFAOYSA-N 416.506 4.679 0 40 HJAB Cc1sc2ncn3nc(-c4cc(C(F)(F)F)n(C)n4)nc3c2c1-c1ccccc1 2791795 PNTFUUATRWQBNL-UHFFFAOYSA-N 414.416 4.734 0 40 HJAB COc1cc2ccccc2cc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 3190826 JKCKNGWCNJRELU-UHFFFAOYSA-N 422.440 4.901 0 40 HJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1cccc(Br)c1 3248174 WDUIODVQTOVMSJ-UHFFFAOYSA-N 424.294 4.916 0 40 HJAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 3336686 KZJWFCFLJQZGSA-UHFFFAOYSA-N 401.862 4.713 0 40 HJAB O=C(CSc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NC[C@@H]1CCCO1 4060773 MCALVEIYFVINBC-SFHVURJKSA-N 414.958 4.730 0 40 HJAB CCOc1ccc(C(=O)N(CCCN(C)C)c2nc3c(Cl)cccc3s2)cc1 4359790 OIOIKRPAXRFYBH-UHFFFAOYSA-N 417.962 4.947 0 40 HJAB O=C(/C=C/c1ccccc1)NCCCCCCCCNC(=O)/C=C/c1ccccc1 4646656 ZCCQDLOCHSARDX-XPWSMXQVSA-N 404.554 4.986 0 40 HJAB Cc1c(CC(=O)NCc2ccncc2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 5347591 FFNRDSWKBKQPNZ-UHFFFAOYSA-N 418.493 4.707 0 40 HJAB COc1ccc(-c2c(C)oc3cc(OCCN4CCC(C)CC4)ccc3c2=O)cc1 6760452 GNEPTQPTZVLCPP-UHFFFAOYSA-N 407.510 4.888 0 40 HJAB biogenic CCOc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC 6876133 AOOFTHWJNWYICF-CYBMUJFWSA-N 412.313 4.827 0 40 HJAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cc(Br)ccc1Cl 7593820 CNNXQBIKTVLZLN-UHFFFAOYSA-N 408.708 4.797 0 40 HJAB CCOc1ccccc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)[nH]1)C(=O)O 7603313 XFEBSRQHFPCCPQ-WJDWOHSUSA-N 401.875 4.742 0 40 HJAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 8428339 VVCBVZUQCJIAFI-UHFFFAOYSA-N 418.975 4.610 0 40 HJAB Cc1ccccc1-n1c(SC[C@@H]2COc3ccccc3O2)nnc1-c1cccnc1 8724343 AHGPQXYVNGJLSK-SFHVURJKSA-N 416.506 4.570 0 40 HJAB COC(=O)[C@H](C)Sc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 8893338 HDGUNRHCGOSLEX-LBPRGKRZSA-N 424.364 4.866 0 40 HJAB Cc1nnsc1C(=O)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12 9250902 VCDTWARGENDADS-UHFFFAOYSA-N 412.858 4.751 0 40 HJAB C[C@H](Sc1nnc2n1CCCCC2)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 9765027 QTMJPBBRJIXLRM-ZDUSSCGKSA-N 423.567 4.823 0 40 HJAB O=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCc2[nH]c3ccccc3c2C1 9902775 WRBGBLQRYHYZNT-UHFFFAOYSA-N 422.488 4.593 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(COc2ccccc2)o1 9951085 SPTVELVGKRJRFW-UHFFFAOYSA-N 420.446 4.963 0 40 HJAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccccc2s1 10215073 XOVUBXGODSQYIR-INIZCTEOSA-N 406.598 4.686 0 40 HJAB Cc1cccc(N(Cc2ccc(C(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)c1 10331800 XVXSHVUJUNTKBB-UHFFFAOYSA-N 422.550 4.830 0 40 HJAB CC(C)Oc1cccc(CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 10543266 RBQAGNPDPRGWGW-UHFFFAOYSA-N 402.343 4.692 0 40 HJAB Cc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1C 12062352 TUVBHNHJIRMSHM-IBGZPJMESA-N 423.582 4.917 0 40 HJAB COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c(C)c4)c3)cn2n1 12441248 MNQJGCXXCRMMCV-UHFFFAOYSA-N 406.873 4.927 0 40 HJAB COc1ccccc1C(=O)COC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 12805483 HPLQYDQIHIZGRR-CVEARBPZSA-N 407.491 4.781 0 40 HJAB CN1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 12915786 XQPHYNAMXQQKTA-UHFFFAOYSA-N 416.587 4.612 0 40 HJAB CC(=O)c1ccc(C(=O)N[C@H](C)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)s1 12932088 ZJFMCZWVMBWNBC-LLVKDONJSA-N 421.444 4.955 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2Cl)c1 14154887 WIIIQRGVFGPYJI-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Cc1ccc(C)c(C(=O)COC(=O)/C=C/c2c(C)nn(Cc3ccccc3)c2Cl)c1 14360907 POHZCEPNNCOSLI-VAWYXSNFSA-N 422.912 4.949 0 40 HJAB O=C1c2ccccc2CC[C@H]1[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 15081781 KGRYFFCIRSPHFM-PXDATVDWSA-N 417.892 4.520 0 40 HJAB Cc1ccc(C)c(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)c1 15882852 JGYASWSWOYKCKT-UHFFFAOYSA-N 400.400 4.785 0 40 HJAB O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Br)cc1 16840586 RUSFCEYMJVFIAZ-UHFFFAOYSA-N 407.264 4.974 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 17093791 INOBAKBPIIXXEE-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB COc1ccc(Nc2nc(N3CCC[C@@H](C)C3)nc3c2cnn3-c2ccccc2)cc1 17245752 CKGFYTIVOUWRHJ-QGZVFWFLSA-N 414.513 4.804 0 40 HJAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 18115186 XEOJKJSFQYKKMW-UHFFFAOYSA-N 419.481 4.582 0 40 HJAB CCC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 18135532 WIWDMNQQTQAREC-QFIPXVFZSA-N 408.523 4.759 0 40 HJAB O=C(c1ccc(F)cc1)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 19331932 YFTMRSKKGYXAQY-UHFFFAOYSA-N 402.473 4.575 0 40 HJAB CC(=O)Nc1c(C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)[nH]c2ccccc12 19717793 ZEWNBUFVYIZABD-CQSZACIVSA-N 403.486 4.548 0 40 HJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 20488647 CDLZIOWLDXUTIY-SFHVURJKSA-N 406.482 4.541 0 40 HJAB CCc1ccc(OCC(=O)N[C@H](CC)c2ccc(OC)cc2)c(Br)c1 20495157 OHQIJKLPNRYHEI-GOSISDBHSA-N 406.320 4.666 0 40 HJAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 25060155 ZYAHZXZHIMGZQJ-INIZCTEOSA-N 409.917 4.635 0 40 HJAB CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1C 27746714 XOBVUZZPFYFIQU-CQSZACIVSA-N 415.877 4.812 0 40 HJAB COc1ccc(Br)cc1CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 28925258 VEWRIBHYTRHXAB-ZDUSSCGKSA-N 403.320 4.657 0 40 HJAB O=C(COC(c1ccccc1)c1ccccc1)Nc1nnc(Cc2ccccc2)s1 32674427 FADMMPPMMFIZJR-UHFFFAOYSA-N 415.518 4.874 0 40 HJAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(-c4ccno4)cc3)c12 36616596 OPWZYSDYTGFPDL-UHFFFAOYSA-N 415.478 4.913 0 40 HJAB O=C(C(=O)N1CCCCC1)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 36646357 FGERTFLXFNIJKV-UHFFFAOYSA-N 414.427 4.904 0 40 HJAB CCc1nn2c(=O)cc(CNc3ccccc3SCc3ccccc3)nc2s1 40012088 QTZHJFIPCJPDDK-UHFFFAOYSA-N 408.552 4.618 0 40 HJAB CC(=O)N1CCc2cc(NC(=O)Cc3csc(-c4ccc(C)cc4C)n3)ccc21 40012950 PSTROILMBCALGT-UHFFFAOYSA-N 405.523 4.517 0 40 HJAB COc1cc(CCC2CCN(C(=O)[C@H]3Cc4ccccc4S3)CC2)cc(OC)c1 40033975 OHKBTFBRKMCKDT-HSZRJFAPSA-N 411.567 4.592 0 40 HJAB COc1ccc(NC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)cc1 40143015 AAFUSFSGFWYDJC-UHFFFAOYSA-N 400.276 4.513 0 40 HJAB O=C(CSc1ccc(-n2cnc(-c3ccccc3)c2)nn1)Nc1ccc(Cl)cc1 49401216 IXLWILPMEWKWSK-UHFFFAOYSA-N 421.913 4.714 0 40 HJAB CC1CCN(C(=O)[C@@H](NC(=O)Nc2ccc(Cl)cc2F)c2ccccc2)CC1 58330215 FSFKMAZYEZMHSU-IBGZPJMESA-N 403.885 4.600 0 40 HJAB O=C(NC(=S)Nc1c(Cl)ccc2nsnc12)c1ccc(Cl)c(Cl)c1 59294315 CLVAISQSXLUJDH-UHFFFAOYSA-N 417.730 4.778 0 40 HJAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cccc(SC)c3)n2)cc1 67257619 BSDJZVMSJNZSJN-UHFFFAOYSA-N 411.552 4.913 0 40 HJAB C[C@H](Nc1ncc(-c2cnccn2)c(-c2cccs2)n1)c1ccc2c(c1)OCCO2 72338762 ANFRUWMPXJOIFQ-AWEZNQCLSA-N 417.494 4.606 0 40 HJAB Cc1nc([C@@H]2CCCN2Cc2ccc(F)cc2)nc2c1CCCN2Cc1ccccn1 72372962 NYMJCZLACRYKPR-QHCPKHFHSA-N 417.532 4.609 0 40 HJAB C[S@](=O)c1ccc(CNc2ccc(OC(F)(F)F)cc2Br)cc1 95996675 VEJHKRCLKJLJBD-HSZRJFAPSA-N 408.239 4.697 0 40 HJAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3CC3CC3)n2-c2ncccn2)cn1 96037434 GBPIWUDKPUDJQY-UHFFFAOYSA-N 422.492 4.741 0 40 HJAB COc1ccc(C(=O)[C@H](C(=O)C(F)(F)F)C23CC4CC(CC(C4)C2)C3)cc1OC 100127462 KQHPQHSKJKPGGW-IWGLNFRWSA-N 410.432 4.851 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(NC(=S)N[C@H]3C[C@H]4CC[C@H]3C4)cc2)cc1 102274141 ROAQTZWYGALKOS-WJPUGNRLSA-N 409.555 4.813 0 40 HJAB O=C(Cn1ccc2ccccc21)Nc1cc(Br)ccc1Br 107850623 GZIIZVASTDNUHO-UHFFFAOYSA-N 408.093 4.805 0 40 HJAB CCc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 115097762 SBNPZGKAAHZLBP-KRWDZBQOSA-N 408.523 4.541 0 40 HJAB O=C(CCCC(=O)Nc1ccc(OCCC2CCCCC2)cc1)NCc1ccccn1 199429926 KTKOXJDKPFNJQX-UHFFFAOYSA-N 423.557 4.856 0 40 HJAB C[C@H](Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)O)c1ccccc1 217610475 IKXVPCRAVNLGBP-IRXDYDNUSA-N 424.522 4.597 0 40 HJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 222918483 SLDPBQOZYDMNJL-NRFANRHFSA-N 401.915 4.725 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C(C)C 223492778 OYQUTADMCCWHBY-VXKWHMMOSA-N 405.571 4.649 0 40 HJAB CCCC[C@H](CC)CNC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 224049484 HRTACOQMEYMNDB-KRWDZBQOSA-N 417.015 4.527 0 40 HJAB CCN(Cc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1)S(=O)(=O)c1ccccc1 224443674 HTABSPXNCQGKGC-UHFFFAOYSA-N 422.550 4.767 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1C 224866370 HLLMTXQNZPBKEY-UXHICEINSA-N 412.946 4.573 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Oc3nccs3)cc2)CC1 225637692 DLMMNXHMQDWSQS-UHFFFAOYSA-N 413.930 4.860 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253499917 RNFUORZCJMHGLE-IOIXJJKASA-N 416.631 4.567 0 40 HJAB biogenic Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@@H](Cc2cccc3ncccc23)C1 257239575 HPYMDZGHCFNVBH-NRFANRHFSA-N 424.548 4.883 0 40 HJAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@@H](Cc2cccc3ncccc23)C1 257287843 PRSMSDTZXCABQT-IBGZPJMESA-N 424.504 4.912 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3cccc(C(=O)O)c3)N21 260762665 HAXKPWABYPLQIA-CZAAIQMYSA-N 418.522 4.550 0 40 HJAB Cc1cccc(NC(=O)COc2ccc(CNc3cccc(C(=O)O)c3)cc2Cl)c1 408605354 GQKCDPCLNFKPQX-UHFFFAOYSA-N 424.884 4.976 0 40 HJAB Cc1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)ccc1NC(=O)c1ccccc1 408617071 CEBNNZPZLOIDRU-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1 408695601 ROXOSJVSOCLUML-UHFFFAOYSA-N 404.857 4.849 0 40 HJAB CCCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1 409097286 LVHLYYZGMZQJPW-UHFFFAOYSA-N 404.898 4.878 0 40 HJAB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)c(Br)cc1O 409109830 MGMPXISXMMTJFY-NVNXTCNLSA-N 402.288 4.707 0 40 HJAB Cc1cc(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)c(C)n1[C@@H]1CCCOC1 1177616575 WBTVNOQIHYQCFJ-GOSISDBHSA-N 423.479 4.789 0 40 HJAB Cc1nc(O)c2ccc(C(=O)N3CCC[C@H](c4cccc(C(F)(F)F)c4)C3)cc2n1 1525743664 XWHYZAMAMBBBHD-INIZCTEOSA-N 415.415 4.682 0 40 HJAB Cc1nc2ccc(NC(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(Cl)cc1 1363136 ROGVBXCVQVIADQ-UHFFFAOYSA-N 403.869 4.659 0 40 HJAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc(Cl)c2)N1Cc1ccco1 2409681 HVKIZNNKQOYDFR-IBGZPJMESA-N 409.800 4.924 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1F)N(Cc1ccco1)C3=O 2418192 MIRAQJVUKXIPQT-NRFANRHFSA-N 403.409 4.887 0 40 HJAB COc1ccc(C)cc1-n1nnnc1SCC(=O)c1ccc(-c2ccccc2)cc1 2628539 JJGSLGDSJALFTO-UHFFFAOYSA-N 416.506 4.621 0 40 HJAB Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)s1 2703611 NDBISLBWPPVECX-LJQANCHMSA-N 417.490 4.826 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)c1c[nH]c2ccccc12 3343042 GQHXJUAIOJEYRL-UHFFFAOYSA-N 412.804 4.964 0 40 HJAB COc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1OC 4998179 VGPNKYUMCCQXKA-AWEZNQCLSA-N 409.486 4.542 0 40 HJAB CCc1cccc2sc(N3CCN(C(=O)c4cccc5ccccc45)CC3)nc12 5181618 RIGCAEXASVBPCX-UHFFFAOYSA-N 401.535 4.974 0 40 HJAB C=C1c2cc3c(cc2CCN1C(=O)C1(c2cccc(F)c2)CCCC1)OCCCO3 5429121 NDKNJODUIXCWRU-UHFFFAOYSA-N 407.485 4.854 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 5443048 NIPVDCFCYJEBAG-UHFFFAOYSA-N 420.962 4.809 0 40 HJAB COc1ccc(/C=c2\sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 5891474 BBDIGXVOROOTTB-PGMHBOJBSA-N 410.498 4.646 0 40 HJAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccccc1I 6152996 YPUWREUCGNXVHB-UHFFFAOYSA-N 406.050 4.779 0 40 HJAB COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c(OC)c1 6390953 ZFCHMXFQHASDFH-UHFFFAOYSA-N 410.495 4.707 0 40 HJAB CC1CCN(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 6395529 UYDDDRNMARCHQJ-UHFFFAOYSA-N 404.539 4.556 0 40 HJAB COc1cccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1 7789687 YYCJCAQRWJQMIH-UHFFFAOYSA-N 419.510 4.501 0 40 HJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc2c(c1)OCO2 8009866 VTWRXZRYHVDPMW-UHFFFAOYSA-N 411.461 4.540 0 40 HJAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1cccc(Cl)c1 8131499 QCDYCUZKKBQKIA-UHFFFAOYSA-N 406.898 4.958 0 40 HJAB NS(=O)(=O)c1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 9239223 COZPANXOPSHMJZ-UHFFFAOYSA-N 414.530 4.738 0 40 HJAB COc1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1Cl 9245126 XJAZGQNHUUEALG-UHFFFAOYSA-N 421.884 4.916 0 40 HJAB CCOc1cccc2cc(-c3cc(=O)oc4cc(OC(=O)C(C)C)ccc34)c(=O)oc12 9517233 LPXZUPPRHYSFFW-UHFFFAOYSA-N 420.417 4.527 0 40 HJAB biogenic CC(C)(C)C1=NN(S(=O)(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)C1 9781689 SLFDUPAKWWBXIX-KRWDZBQOSA-N 421.360 4.987 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(=O)n(Cc2ccccc2F)c1 10187915 ZORLTGRQTJAJLW-UHFFFAOYSA-N 424.781 4.960 0 40 HJAB O=C(c1ccc(F)cc1)N1CCCC[C@H](Sc2ccc(C(F)(F)F)cn2)C1=O 10348364 XCVGYKJKDOBOCW-HNNXBMFYSA-N 412.408 4.553 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)/C=C/c1ccc(Br)o1 12311491 FYOSXYPMNZEHJT-FIOODESASA-N 413.308 4.603 0 40 HJAB CC1(C)C[C@@H](NCc2cc3cc4c(cc3nc2OCc2cccnc2)CCC4)CCO1 12455247 CQQNMXXMJGWIQZ-QHCPKHFHSA-N 417.553 4.745 0 40 HJAB O=C(c1ccccc1I)N(c1ccccn1)C1CCCCC1 12615302 HCQHLEZHHAJMFC-UHFFFAOYSA-N 406.267 4.666 0 40 HJAB NC(=O)Nc1cccc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)c1 12777241 DBZQLYQOFVFIRS-UHFFFAOYSA-N 411.408 4.622 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccccc1C(=O)c1ccccc1 12810475 GSFIKFPGNSLIFU-UHFFFAOYSA-N 423.516 4.992 0 40 HJAB C[C@H]1CCCN(Cc2csc(NC(=O)c3cc(F)ccc3Br)n2)C1 12916380 YTQFVYISIOGDAE-NSHDSACASA-N 412.328 4.529 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1cc2n(n1)[C@H](C(F)(F)F)[C@H]1CCCC[C@H]1N2 13124504 XRRSYUJZJFMCFN-IETSOEAISA-N 400.351 4.501 0 40 HJAB O=C(COc1cccc2ccccc12)Nc1ccccc1C(=O)NC1CCCCC1 13684134 YJHZSEDBGLHJAU-UHFFFAOYSA-N 402.494 4.920 0 40 HJAB O=C(Nc1ccccc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12)c1ccco1 13691153 IWSUTXDSXDHLEK-UHFFFAOYSA-N 407.857 4.639 0 40 HJAB COc1cc(CNC(C)(C)CC(C)(C)C)ccc1Oc1nnnn1-c1ccccc1 13717763 HUZQHFFFIIQIPO-UHFFFAOYSA-N 409.534 4.768 0 40 HJAB COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)COc1cc(C)cc(C)c1 13777793 KXRIDRCWFZINNE-DNRSQYFGSA-N 423.553 4.586 0 40 HJAB Cc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccccc3)n2)cc1 16846395 VAPWPYIMAQXOTA-UHFFFAOYSA-N 411.508 4.599 0 40 HJAB COc1c(F)c(F)c(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c(F)c1F 17091372 JGKQWDNEEFZYEC-UHFFFAOYSA-N 418.346 4.756 0 40 HJAB Cc1csc(C(=O)N2CCC(c3cc(C(=O)Nc4ccc(C)cc4C)on3)CC2)c1 19132632 JVULAWUGBPZBFG-UHFFFAOYSA-N 423.538 4.933 0 40 HJAB CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(C(C)=O)cc2)[C@@H]1c1ccc(OC)cc1 19165549 BFXBNYSUNSMMGG-UPVQGACJSA-N 422.525 4.616 0 40 HJAB Cc1cnccc1CN1CCC[C@@H]([C@H]2C[C@@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 19239513 HQGVALUAZOPNKE-QRVBRYPASA-N 417.548 4.787 0 40 HJAB O=C(C1CC1)N1CCC[C@H](c2cc(Nc3cccc(F)c3)nc(-c3cccnc3)n2)C1 19294182 AZFOHRQXCMCZJW-SFHVURJKSA-N 417.488 4.537 0 40 HJAB C[C@H]1CN([C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(Cl)(Cl)Cl)C[C@@H](C)O1 19315925 MHYOKXMLWSCKNE-AHIWAGSCSA-N 421.796 4.519 0 40 HJAB CCc1oc(C(=O)N2CCC(Oc3ccccc3F)CC2)cc1CN1CCCCC1 19521494 GASYEUAXGCZCRC-UHFFFAOYSA-N 414.521 4.651 0 40 HJAB C[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)CCc4ccccc4)CC3)cc2N1 19574996 OZJZMCOKUYOWJW-DNVCBOLYSA-N 420.479 4.529 0 40 HJAB COCC(=O)N1CCc2sccc2[C@@H]1c1ccc(NCc2ccccc2F)cc1 19592940 CJJDKEYHHOZJOR-QHCPKHFHSA-N 410.514 4.620 0 40 HJAB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccc(C)cc2)n2c1nc1ccccc12 20675529 IQAMBJJBENNXBY-FCHUYYIVSA-N 419.525 4.650 0 40 HJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccc(F)cc3)n2)cc1 22460759 RGKICAUJWOENSC-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB COc1ccc([C@H](CC(=O)NC(C)(C)C)c2cc(Br)ccc2O)cc1 27517441 BDSMLGCPBIYUPW-INIZCTEOSA-N 406.320 4.600 0 40 HJAB Cc1ccccc1-n1c(SCc2noc(C(C)(C)C)n2)nnc1-c1cccnc1 28009167 GCDATMOVKGQIHG-UHFFFAOYSA-N 406.515 4.611 0 40 HJAB C[C@]1(C(=O)Nc2nnc(C3CCCCC3)s2)CC(c2ccccc2Cl)=NO1 35316818 XLPPVSWHDMHIPM-LJQANCHMSA-N 404.923 4.761 0 40 HJAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3cnn(-c4ccc(F)cc4)c3C)c12 36392916 JGSQEZCVDNWZLX-LBPRGKRZSA-N 419.460 4.533 0 40 HJAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 40103699 LEBBPIVZHXGDDT-LLVKDONJSA-N 402.850 4.561 0 40 HJAB CCN(CCNC(=O)c1cccnc1SCc1c(C)noc1C)c1ccccc1C 40112700 RUSSJDZTNPAFBH-UHFFFAOYSA-N 424.570 4.543 0 40 HJAB CN([C@@H](c1ccccc1)c1ccccn1)S(=O)(=O)c1cccc(C(F)(F)F)c1 40135507 RQVMSLFQSYUEOY-IBGZPJMESA-N 406.429 4.511 0 40 HJAB CCOc1cccc(CNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 44919804 BUKCWFWSGWYSOM-UHFFFAOYSA-N 421.368 4.921 0 40 HJAB O=C(/C=C/c1ccccc1Cl)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 49030342 UYIXJBCCGVZMBD-VEGGFIAOSA-N 410.901 4.769 0 40 HJAB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(Cl)c(Cl)c3)nn12 57314001 ITBZMLMJFXPDRI-UHFFFAOYSA-N 404.282 4.720 0 40 HJAB Cc1ccc2[nH]c(=O)c(-c3noc(CCC(=O)Nc4ccccc4C(C)C)n3)cc2c1 64789969 IMCPNTJAFZXLEG-UHFFFAOYSA-N 416.481 4.581 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(I)cc2C)cc1C 64982601 CQFXSBYGUUFISY-AWEZNQCLSA-N 409.267 4.622 0 40 HJAB Cc1cc(=O)c(C(=O)Nc2ccc(NC3CCCCC3)cc2)nn1-c1ccccc1F 65492247 IHXYGETZTAZTGP-UHFFFAOYSA-N 420.488 4.677 0 40 HJAB Cc1ccc(-c2cc3c(N4CCN(c5ccc(C)cc5C)CC4)nccn3n2)c(C)c1 67285115 HSRYEVBIEPAKBW-UHFFFAOYSA-N 411.553 4.957 0 40 HJAB CC(C)n1cnc2c(-c3cnn(C)c3)nc(C3CCN(Cc4ccsc4)CC3)cc21 96100046 VQOCIMBMNJCIBR-UHFFFAOYSA-N 420.586 4.854 0 40 HJAB Cc1ccc(CN2CCC(c3cc4c(ncn4C(C)C)c(-c4cnn(C)c4)n3)CC2)o1 96100048 RWRJDNGVSNPKMV-UHFFFAOYSA-N 418.545 4.694 0 40 HJAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)c1 216060165 GCLVOXREXIPOKE-UHFFFAOYSA-N 417.918 4.958 0 40 HJAB C[C@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222769215 BCZOALYUWAXNEH-LJQANCHMSA-N 420.940 4.616 0 40 HJAB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1c(C)noc1C 223250608 ITDBNZCOLHTJMG-UHFFFAOYSA-N 408.863 4.547 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSc1ccccc1 223675377 JIXBCBBKUCPPDI-NRFANRHFSA-N 412.599 4.543 0 40 HJAB C[C@H](NC(=S)Nc1ncc(Br)cc1Br)c1ccccc1 223954498 RCYHZCIIYGWELC-VIFPVBQESA-N 415.154 4.654 0 40 HJAB Cc1ccc(C(=O)Nc2cccc(F)c2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224052300 NUIHEDKHVSBHSJ-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 224477091 LDGDPFALQVGWED-HXUWFJFHSA-N 421.368 4.788 0 40 HJAB O=C(CSCc1ccc(Cl)cc1F)NCc1ccc(CN2CCCC2)cc1 224517638 IIRXUCMCJQJTAX-UHFFFAOYSA-N 406.954 4.625 0 40 HJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)cc1Cl 224947681 GUJHJCZKORRSBY-MSOLQXFVSA-N 401.944 4.982 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 225254291 IXEBKRPRFJZKIR-OAQYLSRUSA-N 416.562 4.560 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C 225455415 VIJLCGXVFXOLJB-SFTDATJTSA-N 424.585 4.563 0 40 HJAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3-c3ccccc3)ccc21 225692078 QBSXLTWWEZSKTC-UHFFFAOYSA-N 410.520 4.551 0 40 HJAB Cc1cccc(C(=O)Nc2cc(Br)ccc2-c2ccc(C(=O)O)o2)c1 226356678 FHUTTYIHAAXHRQ-UHFFFAOYSA-N 400.228 4.968 0 40 HJAB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 253498537 HSVJCMLFGCXOCJ-HSYIEMPASA-N 402.575 4.935 0 40 HJAB CCN1CCN(C(=S)c2ccc(OCc3c(Cl)cccc3Cl)cc2)CC1 408573172 IRDSFIKWAZVJEB-UHFFFAOYSA-N 409.382 4.885 0 40 HJAB Cc1cc(Br)c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1C 408595100 KNDJRWNGBADYBA-UHFFFAOYSA-N 411.752 4.775 0 40 HJAB COC(=O)c1ccc([C@@H]2Nc3c(ccc(C(=O)OC)c3C)[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 408621367 LXHLZRVWGSNMFG-AFOWIFMISA-N 405.494 4.865 0 40 HJAB COCCCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O 409220988 IVMAEDZGYLFPIG-CPNJWEJPSA-N 417.914 4.992 0 40 HJAB Cc1cc(Nc2ncccn2)cc(C2CCN(Cc3ccnc4ccccc34)CC2)n1 585176604 SBIDIDSOTWOZDS-UHFFFAOYSA-N 410.525 4.851 0 40 HJAB COc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(OC)c1 1416743 SBEMGXPHQUARQN-CAOOACKPSA-N 407.850 4.733 0 40 HJAB COC(=O)c1c(NC(=O)COc2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](C)C2 1808617 RKBYUOYPSJSRAJ-CQSZACIVSA-N 415.555 4.975 0 40 HJAB CCCCCSc1nnc2c(n1)O[C@@H](c1cccnc1)N(C(C)=O)c1ccccc1-2 2103882 UQRBZNCMODVUDC-NRFANRHFSA-N 421.526 4.660 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc1 2246928 XJWOZPIZRLGBQP-UHFFFAOYSA-N 417.490 4.944 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(F)cc2)N1c1nccs1 2400255 HNTFMKPNYPDJBX-MRXNPFEDSA-N 412.829 4.792 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2F)N1c1ccc(Cl)cn1 2413553 MCTKBAZTJZCDAX-LJQANCHMSA-N 406.800 4.730 0 40 HJAB Fc1ccc(NC(=S)Nc2cccc(I)c2)cc1Cl 2643361 CNANKBCVZDNADV-UHFFFAOYSA-N 406.651 4.893 0 40 HJAB CN(C(=O)c1cc(=O)c2ccccc2o1)[C@@]1(c2ccccc2Cl)CCCCC1=O 3229856 ULIVATPEBVWDDD-HSZRJFAPSA-N 409.869 4.557 0 40 HJAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(Cl)ccc1Cl 3246821 HSQKGRLWZDHFBM-UHFFFAOYSA-N 406.309 4.632 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1C 4122484 QUPWYTVORPMEND-UHFFFAOYSA-N 416.506 4.942 0 40 HJAB COc1cccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc(C(C)(C)C)cc2)c1 4481231 BLPZIJMXWCQMFC-NRFANRHFSA-N 420.431 4.602 0 40 HJAB O=C(CN1c2ccccc2Sc2ccccc21)N1CCN(c2ccccc2)CC1 4749284 QDHWOSTYLSKDNH-UHFFFAOYSA-N 401.535 4.638 0 40 HJAB COc1cc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccccc2)cc(OC)c1 4890862 POTAJFXBDMQQNG-UHFFFAOYSA-N 423.538 4.547 0 40 HJAB CC(C)C(=O)N1CCCc2cc(NC(=O)c3ccccc3Br)ccc21 5099480 DKBAUFQTNXUILG-UHFFFAOYSA-N 401.304 4.637 0 40 HJAB Cc1noc(C)c1CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1 6083058 VHWONPBNVLRIFN-MRXNPFEDSA-N 404.923 4.675 0 40 HJAB CC(C)(C)[C@@H]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(S)n32)C1 6166853 PPOYNLBIOQUTIK-GFCCVEGCSA-N 410.568 4.535 0 40 HJAB CCCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 6265018 FZEXNBUOALOSDQ-UHFFFAOYSA-N 405.932 4.865 0 40 HJAB COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)ccc1O 7065530 YQITXDDUZAGSSZ-LEOXJPRUSA-N 401.934 4.923 0 40 HJAB biogenic,in-vitro Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2F)s1 8267190 KLMXWSLZFNGWMZ-UHFFFAOYSA-N 410.495 4.870 0 40 HJAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)NCc1ccccc1Cl 8311137 UOTRYSBUJVCSIC-UHFFFAOYSA-N 405.885 4.585 0 40 HJAB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 8767292 FWTRPYDCAPHLHD-MRXNPFEDSA-N 410.301 4.564 0 40 HJAB O=C(NCc1ccccc1CN1CCCC1)c1ccccc1C(=O)c1cccs1 9460364 GWHWNFRIECIBHD-UHFFFAOYSA-N 404.535 4.505 0 40 HJAB Cn1/c(=N\C(=O)c2ccc(Br)s2)sc2ccc3ccccc3c21 11847358 BVDSUYIKRJJKOB-HTXNQAPBSA-N 403.326 4.958 0 40 HJAB C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 12785795 COIVFQAXEVUIRM-ZDUSSCGKSA-N 401.293 4.754 0 40 HJAB C1CCC2(CC1)OC[C@@H]([C@@H]1OC3(CCCCC3)O[C@@H]1[C@@H]1COC3(CCCCC3)O1)O2 13302447 WGMZNGZBEGHRHH-XSDIEEQYSA-N 422.562 4.582 0 40 HJAB COc1cc(OC)c(N[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1Cl 14075917 AQXRQOAKRBANKX-QFIPXVFZSA-N 410.901 4.827 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 14155054 UKYRTPVFXVIXCZ-OAQYLSRUSA-N 414.433 4.584 0 40 HJAB COc1ccc(-c2c(C)nn3c4c(nnc23)C(=O)C[C@H](/C=C/c2ccccc2)C4)cc1 14607725 UOZGERDGDIFDIZ-GFOMBABLSA-N 410.477 4.567 0 40 HJAB CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 15509191 CGGGWIYEUCPXHZ-UHFFFAOYSA-N 406.935 4.500 0 40 HJAB O=C(c1ccccc1SCc1cccs1)N1CCN(Cc2ccccc2)CC1 15629466 AXTGLHHRZPMTPP-UHFFFAOYSA-N 408.592 4.998 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2-n2cccc2)c1 15882538 UCNKXRZMCBQICF-UHFFFAOYSA-N 423.929 4.751 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2nc3c(C)ccc(C)c3s2)cc1Cl 17083296 FJEJGMNKRCHLGT-UHFFFAOYSA-N 405.932 4.702 0 40 HJAB NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CC1(CC(=O)O)CCCC1 17092501 WMPPSSCIMAKQMN-UHFFFAOYSA-N 420.918 4.531 0 40 HJAB O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1 17094162 ICXGSVUBVYIDRK-UHFFFAOYSA-N 424.909 4.683 0 40 HJAB O=C(NC1CCCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20488610 OIZKDTWYTSVEMD-UHFFFAOYSA-N 406.935 4.593 0 40 HJAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCCC1)c1cc(-c2ccccc2)on1 21805387 QUPUOQUVOKJILD-NRFANRHFSA-N 409.917 4.952 0 40 HJAB CCCOc1ccc2ccccc2c1CN(C)C(=O)CSc1nc(C)cc(C)n1 23929113 RVPUCJSBBUNRKN-UHFFFAOYSA-N 409.555 4.786 0 40 HJAB O=C(/C=C/c1ccc2c(c1)CCO2)Nc1nnc(SCc2ccc(F)cc2)s1 24881768 NKZVXNMESATSOD-XBXARRHUSA-N 413.499 4.556 0 40 HJAB Cc1c(C(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)[nH]c2c1C(=O)CCC2 25710328 DZUXIYYVLSDIMC-UHFFFAOYSA-N 422.868 4.967 0 40 HJAB Cn1c(=O)n(C)c2cc(Sc3ccccc3)c(NC(=O)c3ccc(Cl)cc3)cc21 28049115 LDTYQZAGEAIUTP-UHFFFAOYSA-N 423.925 4.934 0 40 HJAB CC(=O)N[C@@H](CC(=O)Nc1cccc(COc2cccc(F)c2)c1)c1ccccc1 31397558 XHEOCCUZBTVDSL-QHCPKHFHSA-N 406.457 4.611 0 40 HJAB COc1cccc(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)c1 32127473 QBPFUGCEXBACFO-UHFFFAOYSA-N 412.323 4.739 0 40 HJAB Cc1cc(C(=O)N[C@@H]2CCCc3ccccc32)c2c(C)nn(Cc3ccccc3)c2n1 36616601 AUFLCIODVHMQRL-HSZRJFAPSA-N 410.521 4.904 0 40 HJAB Cc1cccc(C)c1NC(=O)Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O 38486539 PSHZHJSIQLIRBO-UHFFFAOYSA-N 407.470 4.520 0 40 HJAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cnc2ccccc2c1C(F)(F)F 40050169 XGGJJCOMQMRKSK-UHFFFAOYSA-N 410.399 4.712 0 40 HJAB O=S(=O)(Nc1cccnc1Oc1ccccc1)c1ccccc1OC(F)(F)F 40146667 CRFPRRJTKRUZBP-UHFFFAOYSA-N 410.373 4.573 0 40 HJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 44844407 JNCZLOCERXVOAL-QFIPXVFZSA-N 410.514 4.554 0 40 HJAB Cc1nn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)ccnc2c1-c1ccc(F)cc1 57729218 QZDWIBXBSYQWEB-QGZVFWFLSA-N 410.493 4.958 0 40 HJAB C[C@@H](CNC(=O)COC(=O)c1cccc(Cl)c1Cl)c1nc2ccccc2s1 57991458 AOBJRNZSNBMUNS-NSHDSACASA-N 423.321 4.680 0 40 HJAB Nc1nc(COC(=O)c2cc3ccccc3n2Cc2ccccc2)nc2ccccc12 61509741 PMGIYQTYKNFOGM-UHFFFAOYSA-N 408.461 4.572 0 40 HJAB CC[C@@H]1c2cc(CO)ccc2N(Nc2ncc(C(F)(F)F)cc2Cl)N1S 64220218 WACSWDQOWLGNOW-CYBMUJFWSA-N 404.845 4.606 0 40 HJAB COc1cccc(Cn2c(SCCc3ccccc3)nc3ccccc3c2=O)c1 67258750 PRIARZYWMYOXNR-UHFFFAOYSA-N 402.519 4.788 0 40 HJAB CC(=O)N1CCCCC[C@@H]1Cc1c(C(=O)Nc2c(C)n[nH]c2C)sc2ccccc12 72370772 YWRCZAZWTCSWDX-QGZVFWFLSA-N 424.570 4.827 0 40 HJAB Cc1ccc(C2=NO[C@@H](CC3(C(=O)Nc4ccc(C)cc4C)CCOCC3)C2)cc1 72389753 BPRCQANHULCNRA-OAQYLSRUSA-N 406.526 4.930 0 40 HJAB CCCc1ncc(-c2ccncc2C)c([C@@H]2CCCN2C(=O)c2cc(CCC)on2)n1 72390638 SAPJAIBXBIOZRU-NRFANRHFSA-N 419.529 4.717 0 40 HJAB Cn1/c(=N/C(=O)CCc2ncc(-c3ccccc3Cl)o2)[nH]c2cc(Cl)ccc21 84311143 GYFCFYCVUWQOEN-UHFFFAOYSA-N 415.280 4.528 0 40 HJAB CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)c2cnn(Cc3ccccc3)c2)s1 89289881 ROZNBPFFQPWVRW-RDJZCZTQSA-N 411.575 4.722 0 40 HJAB CCCc1nnc(CN(CCC)CC(=O)Nc2ccc(Cl)cc2Cl)s1 89960559 BQDCYTZZRTWBAU-UHFFFAOYSA-N 401.363 4.648 0 40 HJAB Cn1cc(-c2cccs2)nc1CCNC(=O)C(c1ccccc1)c1ccccc1 90606968 KMLBGSKBZMYQRA-UHFFFAOYSA-N 401.535 4.639 0 40 HJAB O=C(Cn1c(=O)c(-c2ccccc2)nc2ccccc21)Nc1ccccc1C(F)(F)F 90610102 LNNGUKYRZHXPQR-UHFFFAOYSA-N 423.394 4.721 0 40 HJAB Cc1ccc2nc(CO[C@H]3CN(Cc4ccc(C(F)(F)F)cc4)C[C@H]3F)[nH]c2c1 96112315 YIEPTGZDHRUYHX-APWZRJJASA-N 407.411 4.629 0 40 HJAB biogenic,in-vitro O=C(c1ccccc1)N1C[C@H]2Cc3nn(CC4CC4)c(-c4ccc(F)cc4)c3[C@H]2C1 96145673 CHKMGRTWWKDPPE-CTNGQTDRSA-N 401.485 4.511 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1N/C=C1\N=C(c2ccccc2)OC1=O 100209410 UMQZDOVUKZEAJS-AQTBWJFISA-N 418.474 4.849 0 40 HJAB N=c1c2c(ncn1CCCO)Oc1c(ccc3ccccc13)[C@H]2c1ccccc1Cl 101366823 RSGKKKBXQMVJDT-HXUWFJFHSA-N 417.896 4.837 0 40 HJAB C[C@]12CC[C@H]3c4ccc(OC(=O)CCN5CCCCC5)cc4CC[C@@H]3[C@H]1CCC2=O 105366104 KBZHXUQCKRKJLU-WOLJRWFJSA-N 409.570 4.893 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)=O 108143540 LFCRIXURJKBHES-WQRHYEAKSA-N 417.870 4.905 0 40 HJAB Cc1cc(C)c(OCC(=O)n2c(C)c(CO)c3ccccc32)c(Br)c1 216815702 JKFHVEGJLAKJGC-UHFFFAOYSA-N 402.288 4.541 0 40 HJAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 222527789 KMDQNHYVHZHGET-KRWDZBQOSA-N 400.950 4.559 0 40 HJAB CN(c1ccc2sc(C(=O)Nc3cccc4ccccc34)cc2c1)S(C)(=O)=O 223071814 PLNVQVYMUDVPBD-UHFFFAOYSA-N 410.520 4.703 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C 223700265 FTLLBWNJMYGOFB-QHCPKHFHSA-N 424.585 4.714 0 40 HJAB C[C@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 223840826 MEKODHPYMZBYTG-LWJGVMBGSA-N 405.519 4.508 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 223965005 ONTUVAOTRCSGNV-INIZCTEOSA-N 421.368 4.706 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 225104301 GARPMBYIIBDVOH-QFIPXVFZSA-N 412.599 4.811 0 40 HJAB COC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccccc2Cl)c1 225296288 JKVNPSMLEDMNQB-UHFFFAOYSA-N 408.976 4.655 0 40 HJAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225657550 FITCGVHQACQVJO-UHFFFAOYSA-N 419.543 4.885 0 40 HJAB COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C(C)C 225680329 LHRMHOKAQDWZJH-UHFFFAOYSA-N 423.947 4.791 0 40 HJAB CCCCc1ccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1 225742059 MTPOYVPZTMIVIG-UHFFFAOYSA-N 413.315 4.745 0 40 HJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)c3ccccc3F)CC2)on1 257212673 CELLFMSXTQTNFD-QAQDUYKDSA-N 408.477 4.591 0 40 HJAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1cccc(F)c1F 257314117 UVKCUNZZGDFTDC-OAQYLSRUSA-N 424.495 4.687 0 40 HJAB Cc1cccc(N2CCN(C(=O)CSCc3c(F)cccc3Cl)CC2)c1C 408562673 FDYNXOHWALWNES-UHFFFAOYSA-N 406.954 4.678 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OCC 408680556 NKPADOUDZKMABB-UHFFFAOYSA-N 423.840 4.957 0 40 HJAB COc1ccc(OC)c(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccccc3)n2)c1 408697873 MDCMUVCESBATPH-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB CC[C@@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703984 HUJOLTKVIXYITP-SPLOXXLWSA-N 402.947 4.643 0 40 HJAB Clc1ccc(OCc2nnc(SCc3ccc4c(c3)OCO4)o2)c(Cl)c1 408864127 SKTQTEATBRMMKK-UHFFFAOYSA-N 411.266 4.976 0 40 HJAB CN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccc(F)cc1 614930259 USASYFOEXABZDU-CQSZACIVSA-N 409.288 4.648 0 40 HJAB Cc1ccc(Cl)cc1Oc1ccccc1CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 1153706998 FMFWFAJBYDIKNX-MRXNPFEDSA-N 409.917 4.927 0 40 HJAB Cc1cc(Nc2ncc(Cl)s2)nc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 2037836108 QTLXGHANVDVCGK-UHFFFAOYSA-N 409.943 4.753 0 40 HJAB CCN1CCN(c2ccc(NC(=O)c3c(-c4ccc(Cl)cc4)noc3C)cc2)CC1 2037849978 AMMFEKFXOGWMIU-UHFFFAOYSA-N 424.932 4.698 0 40 HJAB O=C(Nc1ccc(F)cc1F)[C@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl 706618 RGVBSWONSNTLDM-WDEREUQCSA-N 424.658 4.914 0 40 HJAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1cccc(C(=O)OC)c1 955739 CJVLHLVRBFFNBU-UHFFFAOYSA-N 418.371 4.961 0 40 HJAB O=C(OC[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)c1ccccc1Cl 1406647 WJDOZGUZOCRTDI-IBGZPJMESA-N 405.881 4.764 0 40 HJAB Nc1nc(-c2ccc(Cl)cc2)cc(-c2cc(-c3ccc(Cl)cc3)nc(N)n2)n1 1588360 IKVOOHVMSYAIBG-UHFFFAOYSA-N 409.280 4.739 0 40 HJAB CCCCCOC(=O)CSc1nc(CC)nc2sc3c(c12)CC(C)(C)OC3 2239302 BHDVXMRFWOPTNQ-UHFFFAOYSA-N 408.589 4.931 0 40 HJAB CCc1ccc(-n2c(N)c(C(=O)OC[C@@H](C)CC)c3nc4ccccc4nc32)cc1 2395882 KHACGQINSLUFIM-HNNXBMFYSA-N 402.498 4.921 0 40 HJAB Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)nc1 2493297 NHXOKEXCWWWXMU-HXUWFJFHSA-N 402.837 4.900 0 40 HJAB O=C(CCCSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccccc1 2638249 NSHVQHVKKXWTAE-QGZVFWFLSA-N 413.568 4.941 0 40 HJAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnnn1-c1ccccc1)c1ccccc1 3320921 AFSPJGKFYCZBKT-JOCHJYFZSA-N 411.490 4.860 0 40 HJAB Cc1nc2ccccc2nc1CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 3410604 ILIXJJSIIVNDNZ-HNNXBMFYSA-N 423.567 4.730 0 40 HJAB CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1 3499010 LGJWOVKJFNPAMV-AWEZNQCLSA-N 400.935 4.588 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N 3529258 WQMGKUQDTGRVAI-UHFFFAOYSA-N 423.586 4.558 0 40 HJAB Cc1ccc(NC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)cc1Cl 4700075 BRMUZJOKGHACNG-UHFFFAOYSA-N 401.677 4.549 0 40 HJAB Cc1ccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(C(=O)O)cc2)cc1 4928666 WHEACYVMMJXYPE-HSZRJFAPSA-N 409.445 4.833 0 40 HJAB COc1ccc([C@@H]2CC(c3ccccc3OC(=O)c3ccccc3)=NN2C(C)=O)cc1 5164760 LGTZARJXHZLZRV-QHCPKHFHSA-N 414.461 4.612 0 40 HJAB Cc1ccc(CN(C)C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)o1 5421332 TTXFGTCNBZMXAU-NRFANRHFSA-N 410.901 4.761 0 40 HJAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2Cl)NC(=O)N1 5784067 GHPLLMIHFNGHNH-INIZCTEOSA-N 409.795 4.625 0 40 HJAB O=C1Nc2ccccc2[C@@]12Oc1ccc(Cl)cc1[C@@H]1CC(c3ccccc3)=NN12 6222876 YMXKFGTUEGSIIW-NZQKXSOJSA-N 401.853 4.689 0 40 HJAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1cccc2ccccc12 6281906 FXZYBUHUVMXWNV-HHHXNRCGSA-N 407.469 4.847 0 40 HJAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2cccc(Cl)c2)NC(=O)N1 7089761 KGRLABSKWMWBCK-INIZCTEOSA-N 409.795 4.625 0 40 HJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc2ccccc2c1 7759269 IDGUEAKKQCRAQA-UHFFFAOYSA-N 407.857 4.581 0 40 HJAB O=C(Nc1ccc(Br)cc1F)c1cc(C2CC2)nn1-c1ccccc1 8075858 NNPDUZLPFLNLSR-UHFFFAOYSA-N 400.251 4.904 0 40 HJAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)C1=Cc2cc(Cl)ccc2OC1 8129020 SADGOQYTWKDKKS-UHFFFAOYSA-N 420.900 4.739 0 40 HJAB COc1ccc(Br)cc1CN(C)C(=O)/C=C/c1ccc2ccccc2n1 8707416 BFTURIMUJXHACZ-ZRDIBKRKSA-N 411.299 4.678 0 40 HJAB COc1cc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)ccc1NC(=O)C(C)C 9291138 ZQXICYHDMNBNKH-UHFFFAOYSA-N 413.543 4.540 0 40 HJAB O=c1c(Cl)c(N2CCC[C@@H](c3nc4ccccc4s3)C2)cnn1-c1ccccc1 9727794 RAOBUZRNUHAYND-OAHLLOKOSA-N 422.941 4.880 0 40 HJAB O=C(CSc1nnc(NC(=O)Nc2ccccc2)s1)Nc1ccc(Cl)cc1 9744152 RTUBCUXESDOJDO-UHFFFAOYSA-N 419.919 4.566 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3cc(C)ccc3C)cc2)cc1 10112634 KUGYOEJSPHYCLD-IBGZPJMESA-N 422.550 4.904 0 40 HJAB COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1 10233180 LUOQIKKQMHXGGD-LJQANCHMSA-N 418.474 4.625 0 40 HJAB Cc1c(C(=O)N(C)c2ccccc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 12274447 ZZYBZCWRCZWVDI-UHFFFAOYSA-N 409.449 4.661 0 40 HJAB CCN(CC)c1ccc(-c2nnc(SCc3cn4cccc(C)c4n3)n2C)cc1 12531307 IVTFTGDJJBNLMU-UHFFFAOYSA-N 406.559 4.577 0 40 HJAB O=C(Cc1noc2ccccc12)Nc1ncc(Cc2ccc(F)c(Cl)c2)s1 12862944 BPMDDBWVLLJPHQ-UHFFFAOYSA-N 401.850 4.849 0 40 HJAB Cc1nc(C2(NC(=O)/C=C/c3ccc(SC(F)(F)F)cc3)CCCCC2)no1 12892588 PTGDNUAGIPNJKM-JXMROGBWSA-N 411.449 4.979 0 40 HJAB C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N(C)Cc1ccc2c(c1)OCO2 12897983 JETQNSUEVZOAGV-NSHDSACASA-N 414.811 4.547 0 40 HJAB CCc1ccc(CN(Cc2cccnc2)Cc2cnc(N3CCCCC3)nc2)cc1 13569119 OONSHWNUFYZMQB-UHFFFAOYSA-N 401.558 4.627 0 40 HJAB COc1ccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 14397360 BIRRXKSIWWPTNG-ZDUSSCGKSA-N 414.354 4.819 0 40 HJAB COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccc(Cl)cc2)ccc1O 15023407 HAZRINAWSLTYFD-UEVCKROQSA-N 401.934 4.923 0 40 HJAB CSc1ccc(Cl)c(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)c1 15027629 LKMQCDSEPBZMBC-UHFFFAOYSA-N 424.275 4.971 0 40 HJAB O=C(Cc1csc(-c2ccccc2)n1)NCc1ccc(CN2CCCCC2)cc1 15614262 DALJWHLIMXQSLC-UHFFFAOYSA-N 405.567 4.655 0 40 HJAB CCOc1ccc(N2CCn3c(SCc4c(F)cccc4Cl)nnc32)cc1 17307775 BSXKRKAYUWNYLT-UHFFFAOYSA-N 404.898 4.913 0 40 HJAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccccc1Cn1ccnc1 19349679 ZHNZTCFXDIZZJH-UHFFFAOYSA-N 408.914 4.884 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2ccccn2)C1 19449558 WFUPEHJVMOGTTL-RUZDIDTESA-N 419.594 4.770 0 40 HJAB CCC(=O)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19498754 BQJLMYCPFHERBF-KRWDZBQOSA-N 405.477 4.537 0 40 HJAB CCOC(=O)CSc1nc2ccc(NC(=O)c3ccc(OCC)cc3)cc2s1 20895289 DTKVTYGIVZFSMU-UHFFFAOYSA-N 416.524 4.603 0 40 HJAB O=C1CCSc2ccc(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)cc2N1 22877044 RVHCDGATZVPUML-UHFFFAOYSA-N 404.894 4.718 0 40 HJAB CCc1ccc(NC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)cc1 23126783 MUGKKYJLJBATMN-UHFFFAOYSA-N 423.925 4.980 0 40 HJAB C[C@@H](OCCCNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 24775596 JYCADHZJOINEQF-LJQANCHMSA-N 402.494 4.837 0 40 HJAB CC(=O)Nc1cccc(NC(=O)C2(c3cccc(Br)c3)CCCC2)c1 29461901 UHEPTXQGLZOIOP-UHFFFAOYSA-N 401.304 4.858 0 40 HJAB O=C(NCc1ccc(COCC(F)(F)F)cc1)NC1CCC(C(F)(F)F)CC1 29725819 KACPGNXQZNGLKF-UHFFFAOYSA-N 412.374 4.686 0 40 HJAB O=C1CCc2cc(C(=O)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)ccc2N1 32836607 NRUHMWOFLKUFNR-NRFANRHFSA-N 409.489 4.615 0 40 HJAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)c(C)c1 33088691 HDFBVONMUZCNQL-UHFFFAOYSA-N 406.507 4.670 0 40 HJAB COc1ccccc1CNC(=O)c1cc(-c2sc(-c3ccc(F)cc3)nc2C)n[nH]1 38652167 ODVJVAUWRWHZPU-UHFFFAOYSA-N 422.485 4.586 0 40 HJAB CCN1CCN(C(=O)c2cc(-c3ccc(C)cc3C)nc3ccc(Cl)cc23)CC1 55054012 HGGWVYHOQATRJK-UHFFFAOYSA-N 407.945 4.950 0 40 HJAB C[C@@H]1CCc2c(sc3nc([C@@H](C)N4CC=C(c5ccccc5)CC4)[nH]c(=O)c23)C1 58143661 FSEMFGGOALFGIN-HZPDHXFCSA-N 405.567 4.960 0 40 HJAB Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)CC2)c1C 59409637 FUQREJMZEDWYJM-QHGPSCLWSA-N 422.613 4.740 0 40 HJAB biogenic COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)c(OC)c1 67297354 UISQZMRNPLBXQF-LCUIJRPUSA-N 400.434 4.935 0 40 HJAB CCc1cc(=O)n2nc(N[C@@H]3CCCC[C@H]3c3ccc(C(F)(F)F)cc3)sc2n1 72310221 NRMIPQRDCKHRJQ-JKSUJKDBSA-N 422.476 4.871 0 40 HJAB Cn1cc(CN2CCC[C@@H]2c2cccc(Nc3ncccn3)n2)c2cc(F)ccc21 72375751 IYRWMIWPMHDKCN-OAQYLSRUSA-N 402.477 4.583 0 40 HJAB C[C@H]1CN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)c2ccccc21 84715165 WMYCCIJQCYIBJG-HOTGVXAUSA-N 414.347 4.609 0 40 HJAB COc1ccccc1C(=O)N1CCN([C@H](c2ccccc2)c2cc(C)ccc2C)CC1 96183767 QNSBKAKYRHZJFS-AREMUKBSSA-N 414.549 4.859 0 40 HJAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1c[nH]c2ccccc12 102181845 WAADURFMGZPDHQ-RKOMNEFPSA-N 416.315 4.628 0 40 HJAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2)C(=O)N1c1cccc2ccccc12 102925374 LWGQZJYYCUEDKM-CCDWMCETSA-N 420.468 4.891 0 40 HJAB COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c1 205657184 AOVDZZZXEUVZPU-CAOOACKPSA-N 407.850 4.733 0 40 HJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(N(C)C)cc2)S1 222623446 YNDQMVXMFNNXHA-HVETUWLQSA-N 403.555 4.528 0 40 HJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccn(-c4ccc(OC)cc4)c3)N21 222719160 FQVHLDJHDHTFCU-BULFRSBZSA-N 404.539 4.860 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 224629484 BIGJFXCFCNFFND-JOCHJYFZSA-N 414.977 4.771 0 40 HJAB COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225051160 NCENKWSJMQTBFF-UHFFFAOYSA-N 424.305 4.515 0 40 HJAB CC(C)(C)[C@@H]1CCC(=O)[C@H]([C@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)C1 227056172 IYEKJECYTDIWBW-CVBYOTHMSA-N 409.501 4.592 0 40 HJAB S=C(Nc1cccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1)N[C@H]1C[C@H]2CC[C@H]1C2 254813356 IDCCYCFBXABYHM-IGVQRDAMSA-N 414.644 4.637 0 40 HJAB COc1ccccc1CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257297965 RJNUYNWAMYUNLN-NRFANRHFSA-N 408.473 4.709 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1cccc(Cl)c1 408664830 KQMBFTJOZUPEIG-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1C 408999795 SBSPVNZLCWULGP-KWOQKUFVSA-N 406.570 4.654 0 40 HJAB CCOc1c(Br)cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OC 409015473 ZVZGMMXKENQLGO-GMROUXNLSA-N 414.321 4.691 0 40 HJAB O=C1CCc2cc(-c3nc(-c4ccc(Cn5cnc6ccccc65)cc4)no3)ccc2N1 504801766 FJCFELFRAOFUCL-UHFFFAOYSA-N 421.460 4.686 0 40 HJAB CC1=C2C[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@H]2C[C@@H]2O[C@@H]3C[C@@H](C)CN[C@@H]3[C@H](C)[C@H]12 584578773 AROKXPQLAKZWRT-BQMYXNPLSA-N 411.630 4.858 0 40 HJAB COCC(=O)N1CCCCCCCN(CC2CC2)Cc2cc(-c3ccncc3)ccc21 643563644 IKJSPDDODIXHAS-UHFFFAOYSA-N 421.585 4.904 0 40 HJAB CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)[C@@H]1Oc1ccccc1 1219574380 UYIKMFBKKKQWIE-KSZLIROESA-N 412.383 4.591 0 40 HJAB CC(C)=CC(=O)OC[C@]1(O)C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]3O 1615811900 HGXSLFHBGBEREA-SBEHTTFISA-N 404.591 4.631 0 40 HJAB biogenic CN(CCc1ccccc1)c1ncc(C(=O)O)c(CCc2ccc(C(C)(C)C)cc2)n1 2037873242 CAFSFJHHMSXGPJ-UHFFFAOYSA-N 417.553 4.936 0 40 HJAB Cc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccc(F)c1 752790 AWVBEXVNORJREE-UHFFFAOYSA-N 414.440 4.824 0 40 HJAB COC(=O)c1ccccc1N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 990332 VDCCYRUBCLOSAV-UHFFFAOYSA-N 419.047 4.887 0 40 HJAB CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCC2)cc1 1443549 CWIDYEIWBSOKPO-QFIPXVFZSA-N 419.525 4.666 0 40 HJAB O=C(Oc1ccc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1)c1ccccc1 2190289 GSUQLRBFEZORCY-HXUWFJFHSA-N 404.491 4.700 0 40 HJAB Cc1cccc(-n2c(SCc3cc(=O)n4ccsc4n3)nc3ccccc32)c1 2616180 VMCWRPDYMGLLED-UHFFFAOYSA-N 404.520 4.696 0 40 HJAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1cccc(Oc2ccccc2)c1 2632382 PBBQPSOTVBDRLU-UHFFFAOYSA-N 409.463 4.685 0 40 HJAB CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 2704347 NLIURDXSTUQKIW-SFHVURJKSA-N 403.463 4.518 0 40 HJAB O=C(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1ccc(F)cc1C(F)(F)F 3069908 QDHMLVSDSQRJPT-UHFFFAOYSA-N 402.558 4.957 0 40 HJAB O=C1c2ccccc2-c2nn(C(=O)c3cccc(Br)c3)c3cccc1c23 3206826 UUBQRYCIWXOUIC-UHFFFAOYSA-N 403.235 4.699 0 40 HJAB Cc1ccccc1-n1c(SC[C@H]2COc3ccccc3O2)nnc1-c1ccncc1 3363103 KUMYAXRTXAFSKI-GOSISDBHSA-N 416.506 4.570 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)o1)NC(c1ccccc1)c1ccccc1 3602703 AQDPDKSGAKFFRT-UHFFFAOYSA-N 401.491 4.735 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2-n2cccc2)c1 4586086 SYDBCMDEOKBTLC-UHFFFAOYSA-N 417.538 4.714 0 40 HJAB Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1cccs1)N1NC=NC1=N2 5055147 VTYVIMHYEBTTCM-RTWAWAEBSA-N 402.454 4.691 0 40 HJAB C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 5358231 HVDNMMUOPSHQJX-OAHLLOKOSA-N 412.584 4.571 0 40 HJAB CCN(CC)c1ccc(-c2nn3c(-c4cc(-c5ccccc5)n[nH]4)nnc3s2)cc1 5458800 PZAMSJDWXZQJIM-UHFFFAOYSA-N 415.526 4.756 0 40 HJAB O=C(c1ccccc1)N1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 5930661 JYUMFIVBSHDHGU-UHFFFAOYSA-N 417.534 4.634 0 40 HJAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)c1 6200676 MJXPHRCMSMTARO-UHFFFAOYSA-N 417.962 4.854 0 40 HJAB O=C(NC(=S)Nc1ccc(CN2CCCC2)cc1)c1cccc(Cl)c1Cl 6547954 KCBJKANTANXWLJ-UHFFFAOYSA-N 408.354 4.716 0 40 HJAB Cc1occc1-c1nnc(S[C@@H](C(=O)N(C)C)c2ccccc2)n1-c1ccccc1 6830492 SNKRSXZYZRIVCZ-HXUWFJFHSA-N 418.522 4.757 0 40 HJAB CN(C)C(=O)[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 7084931 OPDQGIWFVLOUJP-HXUWFJFHSA-N 418.522 4.508 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CC[C@@H]2CCCC[C@H]2C1 7329477 PTPRABSHDNQHCT-ROUUACIJSA-N 422.554 4.658 0 40 HJAB COc1ccc(-c2cc(NC(=O)c3cnn(Cc4ccccc4)c3)ccc2OC)cc1 8241677 WOOIGMRHEHZNLG-UHFFFAOYSA-N 413.477 4.868 0 40 HJAB COc1ccccc1CCNC(=O)c1ccccc1Cc1nc2ccccc2s1 8267473 VAIJEPUSLHMAER-UHFFFAOYSA-N 402.519 4.868 0 40 HJAB CC1=C(C(=O)Nc2cc(C)ccc2C)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 8369884 AIGCLSSSSHMQAP-GOSISDBHSA-N 404.297 4.877 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1F)c1cccc(Cl)c1 8810176 SISRWUQGCNNEHW-UHFFFAOYSA-N 424.925 4.733 0 40 HJAB CC1(C)COc2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2NC1=O 9173793 CWEMAEFYJCKVAC-UHFFFAOYSA-N 422.506 4.512 0 40 HJAB O=C1S/C(=C/c2coc3ccccc3c2=O)C(=O)N1Cc1ccc(F)cc1Cl 9233275 VPEZCXOOVUQNDS-REZTVBANSA-N 415.829 4.822 0 40 HJAB CCOc1ccc([C@H]2NC(=S)NC3=C2CCc2ccccc23)cc1Br 9317346 ILMIVQSZGNQUCQ-GOSISDBHSA-N 415.356 4.724 0 40 HJAB Cc1ccc(C)c(-c2nn([C@H](C)C(=O)N3CCc4ccccc43)c(=O)c3ccccc23)c1 9366038 ZKUQOEYCHNVHOM-LJQANCHMSA-N 423.516 4.831 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)cc1 9885420 NHPCDUKKNBQTDD-LBPRGKRZSA-N 417.332 4.662 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2Cl)c1C 10112560 FQNUMKHWJYCQDT-CQSZACIVSA-N 420.962 4.630 0 40 HJAB Cc1ccc(C(=O)NC2CCCCCCC2)cc1NS(=O)(=O)c1ccccc1 10314590 YOUSAATUJZCIJE-UHFFFAOYSA-N 400.544 4.639 0 40 HJAB CCOc1ncccc1C(=O)N(Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1 11088962 YHAOWOXHXFJZCB-GOSISDBHSA-N 417.509 4.842 0 40 HJAB COc1cccc2c(C)cc3nnc(SCC(=O)Nc4cc(C)cc(C)c4)n3c12 11903254 FSPHYCBKSUWNJH-UHFFFAOYSA-N 406.511 4.547 0 40 HJAB Cn1ncc(Cl)c1[C@@H]1CCCCCN1C(=O)c1cc(-c2ccc(F)cc2)no1 12119582 QRAFBNMBZOGASD-KRWDZBQOSA-N 402.857 4.625 0 40 HJAB CC(=O)N[C@@H](CC(=O)OCc1csc(-c2ccc(Cl)cc2)n1)c1cccs1 12175487 WJHFBTLAJAHOJD-INIZCTEOSA-N 420.943 4.836 0 40 HJAB COC(=O)c1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 12196899 SLFWKXJAVLHQBD-CVDCTZTESA-N 418.449 4.626 0 40 HJAB O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2nccnc2c1 12420898 WHTMBBUANOKVCP-FQEVSTJZSA-N 402.841 4.868 0 40 HJAB O[C@H](COCc1ccccc1Cl)CSc1nnc(Nc2ccccc2)s1 12517158 OWMMDLJERUFBTO-OAHLLOKOSA-N 407.948 4.605 0 40 HJAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CN1Cc1ccc(F)cc1 12539658 YAKNPLSUKVTHCX-IBGZPJMESA-N 417.459 4.879 0 40 HJAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCC(=O)c2ccc[nH]2)cc1 12701002 KCMLQIFJPZIXDM-UHFFFAOYSA-N 402.450 4.530 0 40 HJAB COC(=O)C[C@@H](NC(=O)c1sc(-c2ccsc2)nc1C)c1ccccc1Cl 12859664 SMVUBLBVHIWARB-OAHLLOKOSA-N 420.943 4.868 0 40 HJAB O=C(CSc1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13074283 DQJNJPDXUZTQIG-UHFFFAOYSA-N 414.880 4.800 0 40 HJAB Cc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)O)cc2c1 13809731 XGVUBLMIZBPBLT-HXUWFJFHSA-N 421.884 4.739 0 40 HJAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 14397737 FDNWBVMJWIGETQ-GFCCVEGCSA-N 402.318 4.949 0 40 HJAB C[C@H]1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)c2ccccc2S1 15554074 PCIVPBPCYUCREY-HNNXBMFYSA-N 402.947 4.768 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)/C=C/c1cccs1)CC2 16002299 LDPCVTMQYSSUSX-NFPSEPLVSA-N 405.519 4.953 0 40 HJAB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H]1CC=CC[C@@H]1Cc1ccccc1 16035158 RXFUGJQYDAQJPM-AEFFLSMTSA-N 406.457 4.857 0 40 HJAB FC(F)(F)c1cc(SCc2cn3ccccc3n2)nc2cc3c(cc12)OCO3 16545914 LPCKGRXLMMYNRO-UHFFFAOYSA-N 403.385 4.922 0 40 HJAB CC(=O)Nc1cccc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1 16705641 DDRFPXCSZHYLJG-UHFFFAOYSA-N 415.902 4.895 0 40 HJAB Cc1ccc(N2C(=O)/C(=C/Nc3ccc4c(c3)OCO4)c3ccccc3C2=O)cc1C 17440290 ZOTGZILUJKHCTL-FYJGNVAPSA-N 412.445 4.672 0 40 HJAB COc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 18174516 WRQOQXAQBGPLIA-JOCHJYFZSA-N 424.522 4.954 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCCC3)n1 19691314 SBDDOPHTNXEFIC-JOCHJYFZSA-N 404.489 4.775 0 40 HJAB O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccccn2)C1 20503197 CPMFUXQEZPPEGB-PKOBYXMFSA-N 413.546 4.744 0 40 HJAB biogenic,in-vitro O=C(NC1CCCC1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20719839 BOSSERKFFLBDSO-QHCPKHFHSA-N 402.538 4.798 0 40 HJAB CCC(CC)C(=O)Nc1ccccc1SCc1cc(=O)n2cc(C)sc2n1 21535948 FDADVFQPEUZDQX-UHFFFAOYSA-N 401.557 4.731 0 40 HJAB CCn1cc(C(=O)NCc2ccc(Cl)cc2Cl)c(=O)c2cc(Cl)ccc21 22234848 PKXKNTSOSLUTSX-UHFFFAOYSA-N 409.700 4.912 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1ccsc1 22594221 PSGSDGKOKPUTLQ-UHFFFAOYSA-N 406.916 4.763 0 40 HJAB C[C@H](c1ccccc1)n1c(SCc2nccn2C(F)F)nc2ccccc2c1=O 24718538 KYMXEESCDCAIHJ-CQSZACIVSA-N 412.465 4.890 0 40 HJAB Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccc(OCC(F)(F)F)cc1 25535729 XXFMPSVAOHQHOA-UHFFFAOYSA-N 402.416 4.652 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NCc1ccccc1C(F)(F)F 27977315 KJCCZTZTXSVPLT-UHFFFAOYSA-N 401.432 4.757 0 40 HJAB O=C(NCc1cccnc1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 28200519 FCRKMIMLSUSLON-UHFFFAOYSA-N 402.885 4.577 0 40 HJAB CCSCn1nnc(-c2cccs2)c1C(=O)Nc1ccc(Br)cc1 32611793 ZEYRCHHXCJIGAB-UHFFFAOYSA-N 423.361 4.732 0 40 HJAB Cc1ccc(-c2csc(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)n2)cc1 32668417 GXRMXCJKCWNUMQ-OAHLLOKOSA-N 423.563 4.975 0 40 HJAB COc1ccc(Cn2cnc3c4ccccc4n(Cc4ccccc4F)c3c2=O)cc1 35400200 NEFLJGPXJRSPQG-UHFFFAOYSA-N 413.452 4.596 0 40 HJAB CCN(C(=O)Cc1ccc(N2CCCC2=O)cc1)c1nc2cc(Cl)ccc2s1 36390508 DKLIVOXLIWQIBO-UHFFFAOYSA-N 413.930 4.672 0 40 HJAB CCn1nc(C)c2c(C(=O)Nc3cc(C)nn3Cc3cccc(Cl)c3)cc(C)nc21 36614299 AGPKAQWRNDGDML-UHFFFAOYSA-N 422.920 4.527 0 40 HJAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2ccccc2Cl)CC1 58020079 DOIQTBXTFQGCSY-AWEZNQCLSA-N 403.313 4.927 0 40 HJAB COc1ccc(Cn2c(SCc3ccccc3F)nc3ccccc3c2=O)cc1 67258831 MOJOLSULISGVGK-UHFFFAOYSA-N 406.482 4.885 0 40 HJAB CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)c2cnn(Cc3ccccc3)c2)s1 89289880 ROZNBPFFQPWVRW-DOTOQJQBSA-N 411.575 4.722 0 40 HJAB CC(C)(C)CN(C[C@H](O)c1ccccc1)C(=O)CCCc1nnc(-c2ccccc2)o1 95451256 HKZHGLWYPRPWRR-NRFANRHFSA-N 421.541 4.668 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(I)cc1 216305465 ALUSSULFRDQJGW-OAHLLOKOSA-N 415.658 4.741 0 40 HJAB COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CC(C)C 222911059 QSFCQJAXFQPDKT-VXKWHMMOSA-N 406.555 4.509 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 223191116 KHPVAOMXNULNJH-INIZCTEOSA-N 421.368 4.870 0 40 HJAB Fc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccco1 223355882 HNDBXFJFGSKZDV-FCHUYYIVSA-N 418.497 4.777 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 224664309 OHIHHKKPXSNGDN-FQEVSTJZSA-N 402.538 4.716 0 40 HJAB O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1ccc(OC(F)(F)F)cc1 224874878 WCXAVLLFHCJWDJ-UHFFFAOYSA-N 400.205 4.834 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 225055960 XYBVEPPKOPFQDG-VQTJNVASSA-N 412.599 4.809 0 40 HJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1Cl 225064352 XPFVEYWNHZGYOL-UHFFFAOYSA-N 408.885 4.921 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1F 225379123 CWLUTMYVUPHXRM-DEOSSOPVSA-N 424.560 4.667 0 40 HJAB COC(=O)c1c(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)sc2c1CCCC2 225452623 YXVSNULMMLXABA-AWEZNQCLSA-N 413.539 4.698 0 40 HJAB CN1CCC(Oc2ccc(CNC(=S)Nc3cccc(C(F)(F)F)c3)cc2)CC1 225772251 YHZINJZOFPZLGN-UHFFFAOYSA-N 423.504 4.665 0 40 HJAB C[C@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCCCc2ccc(F)cc2)n1 225969899 XJSWXSPTUHCTKR-AWEZNQCLSA-N 421.973 4.567 0 40 HJAB Cc1c(Br)cc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1Br 226273220 IDEZQUZNBTVANS-JTQLQIEISA-N 413.109 4.826 0 40 HJAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(Cl)c5c(c4)OCCCO5)OCC[C@@]31C2 257241554 HYMIIGUHMHLFFV-DXANDOGBSA-N 419.949 4.520 0 40 HJAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)no2)o1 257258514 KUIMMFDGKAKFBT-IBGZPJMESA-N 409.486 4.753 0 40 HJAB Cc1ccc(Oc2ccccc2C(=O)N(CCCc2ccccc2)CC(=O)O)cc1 257262705 LMMNOIRHZZYHTL-UHFFFAOYSA-N 403.478 4.947 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(F)F 408545125 YVKXURMHMSUNHT-UHFFFAOYSA-N 402.470 4.557 0 40 HJAB COc1ccccc1NC(=O)COc1ccc(CNc2ccc(C)c(C)c2)cc1OC 408553791 BWPOZDNJHXMYDG-UHFFFAOYSA-N 420.509 4.950 0 40 HJAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 409173829 KQIYIIMQLFOANJ-SMEDBKPVSA-N 424.522 4.847 0 40 HJAB Cc1nc(O)cc(-c2ccc(NC(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@@H]43)cc2)n1 513530088 HIFOPWASNBXHLT-XJUOHMSHSA-N 414.509 4.958 0 40 HJAB Cc1ccc2nc(C(=O)N3CCC[C@@H](NC(=O)c4ccc5ccccc5c4)C3)ccc2c1 551552196 HEULOSMJGVIVHF-HSZRJFAPSA-N 423.516 4.731 0 40 HJAB C[C@H](NC(=O)N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccc(-c2ccccc2)cc1 592340811 YOZCCUWYNKJHTC-PGRDOPGGSA-N 407.558 4.751 0 40 HJAB O=C(NC[C@H](CO)Cc1ccccc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 605391668 RUQBCPAJOKQCOB-GOSISDBHSA-N 413.439 4.953 0 40 HJAB CC1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(Cl)c2)CC1 1505840634 JJRLYNZFUZAFRV-AEJJIKPWSA-N 416.924 4.971 0 40 HJAB Cc1cc(F)ccc1NC(=O)c1sc2nc(-c3ccc4c(c3)OCO4)ccc2c1N 661442 DYYWNRMQANIWTL-UHFFFAOYSA-N 421.453 4.974 0 40 HJAB COc1ccc(C(=O)CSc2nnc(COc3ccc(C(C)(C)C)cc3)o2)cc1 876016 FHLHDGNMSBVQJM-UHFFFAOYSA-N 412.511 4.930 0 40 HJAB COc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c(C)c1 919400 CFHKMMUPTWZBEA-WMLDXEAASA-N 420.391 4.706 0 40 HJAB Fc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5F)CC4)c23)cc1 1094861 FHAFJGFNPBGTFN-UHFFFAOYSA-N 408.477 4.963 0 40 HJAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)NCc3ccccc3)cc2c1 1353129 AOCGXHZUBWRUNR-UHFFFAOYSA-N 417.534 4.810 0 40 HJAB Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1C1CCCCC1 2239818 KKSFAGVHCKDMFT-UHFFFAOYSA-N 406.511 4.505 0 40 HJAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2cc(C)ccc2C)cc1 2407859 QMRMWHQBABTUIB-DNRSQYFGSA-N 422.569 4.619 0 40 HJAB CCOC(=O)c1c(NC(=S)NC(=O)CCC2CCCC2)sc2c1CC[C@H](C)C2 2637919 DGBBKIFRZHHRJJ-ZDUSSCGKSA-N 422.616 4.833 0 40 HJAB CC[C@H](C)c1ccc(-c2csc(CN3C(=O)c4ccccc4S3(=O)=O)n2)cc1 2659310 GMACFUCKNYZHRT-AWEZNQCLSA-N 412.536 4.668 0 40 HJAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 2703556 CVXZTFRIVLCTMI-QHCPKHFHSA-N 411.457 4.590 0 40 HJAB CCc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)Nc2nccs2)cc1 2951396 ZIUOXELHZQWUSI-FLFQWRMESA-N 405.479 4.945 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)c(OC)c1 4037639 VRFITYPURADBAC-RDPSFJRHSA-N 408.498 4.533 0 40 HJAB biogenic COc1ccccc1[C@]1(CCNCc2ccc3c(c2)OCO3)CCO[C@@H](C(C)C)C1 4046906 NMPJHGCISZRRPQ-JWQCQUIFSA-N 411.542 4.677 0 40 HJAB biogenic O=C(COC(=O)c1ccc(OC(F)F)cc1)Nc1ccccc1Cc1ccccc1 4436576 JFXYWDNSNYGGMF-UHFFFAOYSA-N 411.404 4.674 0 40 HJAB CCOc1cccc2c1O[C@@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccco3)C[C@H]21 4715681 NSHDOYBCZMSNMP-XXBNENTESA-N 418.449 4.707 0 40 HJAB CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1ccc(OC)cc1OC 4849384 SGAIJSCEXGCIFN-UHFFFAOYSA-N 412.511 4.554 0 40 HJAB CC[C@H](C(=O)N(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(C)C)c1ccccc1 4943782 PAWXIAIRIKHLCK-IBGZPJMESA-N 423.513 4.685 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1C 4976915 LXUKLKRRKKKBBS-UHFFFAOYSA-N 400.935 4.581 0 40 HJAB O=C(COc1ccccc1)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 5264923 UUQOHAMMZGDBOE-UHFFFAOYSA-N 409.898 4.957 0 40 HJAB O=C1/C(=C/N[C@H]2CCCc3ccccc32)c2ccccc2C(=O)N1Cc1ccccc1 6344369 RWXIOJWNXYQIPD-NJXRFNICSA-N 408.501 4.877 0 40 HJAB COc1cc(CNCc2ccncc2)cc(Br)c1OCc1ccccc1 7274913 ZHNVLFSXRXIKNT-UHFFFAOYSA-N 413.315 4.722 0 40 HJAB O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCCSc2ccccc21 7717596 NECNULMXWUISMI-UHFFFAOYSA-N 413.502 4.528 0 40 HJAB Cc1ccc(C)c(NC(=O)COC(=O)CCCC(=O)Nc2cccc3ccccc23)c1 7939914 CZLMYWITUHEGRV-UHFFFAOYSA-N 418.493 4.747 0 40 HJAB COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc(Cl)c1OC 8103211 XGSZRXGXUUPYOD-CYBMUJFWSA-N 416.930 4.987 0 40 HJAB CCOc1ccccc1NC(=O)[C@H](Sc1nnnn1C1CCCC1)c1ccccc1 8230768 LOOZHVVEQNSQOR-HXUWFJFHSA-N 423.542 4.659 0 40 HJAB C[C@@H]1Oc2c(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cccc2[C@H]1C 8312285 SDXXGNSWZADFCS-HOTGVXAUSA-N 402.498 4.808 0 40 HJAB Cc1ccc(C(=O)C[C@@H](C(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 8475330 AQHNYCHVLFDWMU-QHCPKHFHSA-N 406.503 4.602 0 40 HJAB CCOC(=O)c1ccccc1NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O 8477467 QOJMETLTEOMXHN-UHFFFAOYSA-N 419.433 4.514 0 40 HJAB biogenic Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@@H](C)CCc3ccco3)c(C)c12 8764529 QZYYRKCQPLZJFQ-HNNXBMFYSA-N 407.466 4.737 0 40 HJAB biogenic Cc1c(CC(=O)NCc2ccncc2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8792051 VPDCKDSBIFYAFF-UHFFFAOYSA-N 424.456 4.769 0 40 HJAB biogenic Cc1ccc(OCC(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)cc1 8959993 WFUWZCIWCQHDRR-UHFFFAOYSA-N 424.541 4.810 0 40 HJAB O=C(Nc1ccc(-c2ccccc2)cc1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 9535792 MPFLPZMRFFCHED-HXUWFJFHSA-N 423.559 4.885 0 40 HJAB Fc1ccc(-c2nn3c(CCc4ccccc4)nnc3s2)cc1Br 9576513 MNNUKYPJDGOWGL-UHFFFAOYSA-N 403.280 4.540 0 40 HJAB COc1ccccc1[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(C)cc2)c2ncnn21 10060386 TUOQOYOPYCEZCS-XZOQPEGZSA-N 424.504 4.976 0 40 HJAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(C)cc2)cc1 10326560 JMHAMDSVYUMIRR-GOSISDBHSA-N 420.534 4.696 0 40 HJAB Cn1nc(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c2ccccc2c1=O 11512840 OUDVDJLZGJQOKO-UHFFFAOYSA-N 419.868 4.560 0 40 HJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 13844481 JTGFFCQPPQPKHP-JOCHJYFZSA-N 404.466 4.744 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 14007010 SSCOXQBNYIJSPE-HNNXBMFYSA-N 400.906 4.809 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)c1 14069817 NSNPNZOTTWKCIP-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB O=C(Cc1csc(-c2cccc(F)c2)n1)NCCc1ccc(C(F)(F)F)cc1 14095441 FMEKTLJVEAKVQV-UHFFFAOYSA-N 408.420 4.869 0 40 HJAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ncccc3O)o2)cc1Cl 17089713 FJYNZGXFYDYLQZ-VQHVLOKHSA-N 413.886 4.535 0 40 HJAB Cc1ccc2oc(CN[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C(C)C)c(C)c2c1 19220512 JMBUHPSKSACYBA-QHCPKHFHSA-N 402.498 4.682 0 40 HJAB O=C(CCc1nc(-c2cccs2)no1)Nc1ncc(Cc2ccccc2F)s1 19349661 IWNSAVAHFJZDFE-UHFFFAOYSA-N 414.487 4.556 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3ccnn3C(C)C)CC2)n1 19690634 PEVYLOZWCZFWJZ-UHFFFAOYSA-N 406.505 4.993 0 40 HJAB COc1ccc(/C=C(/C(=O)NCc2ccccc2-n2ccnc2)c2ccccc2)cc1 20112374 VFVOMDRSMULXLC-JJIBRWJFSA-N 409.489 4.738 0 40 HJAB COc1ccc(-c2nc3c4c(C)c(C)n(-c5cccc(C)c5)c4ncn3n2)cc1OC 21801161 PPTZZXWSLJUMBY-UHFFFAOYSA-N 413.481 4.678 0 40 HJAB Cc1nc(CSc2ccc(C(=O)N(C)Cc3ccc4c(c3)OCO4)cc2)cs1 22414274 RFPLRGCESAARQO-UHFFFAOYSA-N 412.536 4.745 0 40 HJAB Brc1cc2c(cc1CSc1nnc(C3CCCCC3)o1)OCCO2 22892117 PKZYLIDXBPWFAV-UHFFFAOYSA-N 411.321 4.943 0 40 HJAB CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)cc1 27662368 ATSSGFAKDACZTD-UHFFFAOYSA-N 413.499 4.654 0 40 HJAB Cc1ccc(Nc2nnc(SCc3cccc(C(F)(F)F)c3)n(C)c2=O)cc1 28526884 TWTCTUVMFRRJLV-UHFFFAOYSA-N 406.433 4.538 0 40 HJAB CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c1 30755113 VTIZBUXVZHIMEF-UHFFFAOYSA-N 422.717 4.765 0 40 HJAB COc1ccc(S[C@@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)cc1OC 30757836 ZRSQAGCCZWUSIX-KRWDZBQOSA-N 417.571 4.721 0 40 HJAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1ccc(C(C)(C)C)cc1 31246177 DNYWRCJWMUKALB-UHFFFAOYSA-N 406.448 4.548 0 40 HJAB C[C@@H](NC(=O)c1cc(Cl)ccc1I)c1ccc(F)cc1F 32483386 MKGGNETYXFRKKU-MRVPVSSYSA-N 421.612 4.714 0 40 HJAB CC[C@H]1c2ccsc2CCN1CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 32784166 GQLQRMILJAIZBK-YSJWXEPDSA-N 403.592 4.542 0 40 HJAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N1CCc2sccc2C1 32883756 FIOLNQAMILECND-UHFFFAOYSA-N 404.944 4.564 0 40 HJAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Cn2cnc3ccccc3c2=O)o1 36355027 YPNMCSPFXWSPQP-UHFFFAOYSA-N 414.248 4.597 0 40 HJAB COc1cccc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c1 36611683 YDQPHLSENSSIAI-INIZCTEOSA-N 400.482 4.537 0 40 HJAB CCOc1ccc(Oc2ccc(NCc3cc(=O)n4nc(CC)sc4n3)cc2)cc1 39990537 AQVLFNSTCLRFNH-UHFFFAOYSA-N 422.510 4.517 0 40 HJAB Oc1nc2sc3c(c2c2nc(-c4ccc(Br)cc4)nn12)CCCCC3 40162315 UZJLXMHUFULPBU-UHFFFAOYSA-N 415.316 4.743 0 40 HJAB O=C(/C=C/c1ccccc1Cl)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 49510865 QFYPALFVORLFDD-CSKARUKUSA-N 406.869 4.783 0 40 HJAB COc1ccc(S(=O)(=O)N(c2ccc3[nH]ccc3c2)[C@H](C)CC(C)C)cc1OC 58202926 KRUXGOXUDDQVMH-MRXNPFEDSA-N 416.543 4.815 0 40 HJAB Cc1nc2cc(C(=O)N3CCC[C@@H]3c3ccnc(-c4ccc(Cl)cc4)n3)ccc2[nH]1 72355858 IRVPRAQGZVOQFT-OAQYLSRUSA-N 417.900 4.959 0 40 HJAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cnn(C)c4C)C3)c(-c3ccncc3)c2c1 72396783 DWMGXQVLEOHIRC-IBGZPJMESA-N 413.525 4.600 0 40 HJAB O=C(Nc1ccccc1SCc1ccsc1)C(=O)N1CCC[C@@H]2CCC[C@H]21 78948029 IQKQPURULIHEKS-FUHWJXTLSA-N 400.569 4.770 0 40 HJAB Cc1cccn2c(=O)c3cc(C(=O)N4CCCC[C@H]4c4ccccc4)sc3nc12 96347316 SAYHBCPAIQPEAJ-SFHVURJKSA-N 403.507 4.585 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(OC)c1 222976982 FPJOCBVWKRHUGA-FCHUYYIVSA-N 406.555 4.654 0 40 HJAB CC(C)C[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccccc1 223148887 IEDGVKJMYFXKOP-IWQUUTMOSA-N 402.494 4.954 0 40 HJAB CC(C)CCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224067707 MZTBSDTXGFXMDY-UHFFFAOYSA-N 415.342 4.570 0 40 HJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCCC1 224257567 JUARXPOASKJRFX-GOSISDBHSA-N 406.526 4.598 0 40 HJAB CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 224738109 VZFGHTATSQZSFS-UHFFFAOYSA-N 402.313 4.941 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCSc1ccccc1 225169699 RIAMSSIKFJYNKA-GOSISDBHSA-N 416.562 4.642 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C 225554457 UNQLABRGSYMHAZ-REWPJTCUSA-N 424.585 4.713 0 40 HJAB C[C@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccc(Cl)cc3)n2)C1 225936125 YWPIDUZKCDKBIS-BETUJISGSA-N 424.401 4.752 0 40 HJAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc(Cl)c1OC 260788375 ZLUTUYGNNNJSBN-NXOUGTEYSA-N 403.935 4.732 0 40 HJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1 260818195 XEQZWZBCQYAAAV-MZLICYQSSA-N 404.595 4.823 0 40 HJAB Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1NC(=O)c1ccccc1 408607753 ODDCDMDBBKDYJJ-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(OC)cc2)cc1 408674930 FCLZKOVTXOBOBB-UHFFFAOYSA-N 414.461 4.835 0 40 HJAB Cc1cc(Br)ccc1NCN1C(=O)S/C(=C/c2ccccc2)C1=O 408728073 VGGOQJROXJXETD-MHWRWJLKSA-N 403.301 4.863 0 40 HJAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1CNc1ccc(Br)cc1 408822366 MIQQRLNRTDWLJO-OQLLNIDSSA-N 407.264 4.694 0 40 HJAB O=C(C[C@H](c1cccc2ccccc12)n1cccc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 575443368 QOWFWBDEKGRBJK-QQSVUBKYSA-N 402.538 4.774 0 40 HJAB Cc1ccnc(Nc2cc([C@@H]3CCCN(Cc4ccc(F)c(F)c4)C3)nc(C)n2)c1 585169385 HOKDXDXBHZQWFB-GOSISDBHSA-N 409.484 4.890 0 40 HJAB C[C@H]1COc2ccccc2CCCCC2(CCN(Cc3cccc(F)c3)CC2)C(=O)N1 643563691 MFDXVKCYJSLCSK-FQEVSTJZSA-N 424.560 4.718 0 40 HJAB Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CCC[C@@H]4C[C@@H]43)c12 672127667 ZJJMOPVBYQXAKV-DYVFJYSZSA-N 401.388 4.842 0 40 HJAB Cc1cc(C(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)c(C)n1[C@H]1CCCOC1 1177616576 WBTVNOQIHYQCFJ-SFHVURJKSA-N 423.479 4.789 0 40 HJAB COc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCC3)cc1 722336 BBKGAHRUOWFQOA-UHFFFAOYSA-N 406.507 4.679 0 40 HJAB CC(=O)Nc1ccc(N2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)cc1 841784 VYYNBYGHSVOKPU-UHFFFAOYSA-N 413.477 4.589 0 40 HJAB CCOc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)CC)cs1 1366661 DOWRFICEUKEWNA-UHFFFAOYSA-N 421.522 4.760 0 40 HJAB Clc1cccc(N2CCN(c3ncnc4c(-c5ccccc5)nsc34)CC2)c1 1370711 NYHOIKRGBVUJIH-UHFFFAOYSA-N 407.930 4.733 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccn(Cc2c(F)cccc2Cl)c1=O 1396459 TUAHJEYUHQIDJC-UHFFFAOYSA-N 424.781 4.960 0 40 HJAB COc1ccc([C@@H](CNC(=O)CCc2ccccc2)Cc2ccccc2)cc1OC 1443439 INNSDJMZTMNEQI-HSZRJFAPSA-N 403.522 4.779 0 40 HJAB O=C(COC(=O)c1cccc(Br)c1)Nc1cc(Cl)ccc1Cl 1943846 CFUZVZSQJZEEAL-UHFFFAOYSA-N 403.059 4.551 0 40 HJAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 2636002 WYLQRHJYPJNZEM-UHFFFAOYSA-N 414.188 4.511 0 40 HJAB Cc1ccc(Nc2nc(CSc3nnc(C4CCCCC4)n3N)cs2)cc1 2641313 FHHGKONADIJYMV-UHFFFAOYSA-N 400.577 4.840 0 40 HJAB CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 3325083 IOTZKOLJMYCTGF-UHFFFAOYSA-N 416.223 4.972 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Nc3ccccc3F)s2)c1C 3360299 FEGXRTBICMMOSY-UHFFFAOYSA-N 404.492 4.543 0 40 HJAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCC3)n2-c2ccccc2)cc1 3457886 RXHBZIYVWMDGTP-UHFFFAOYSA-N 420.582 4.946 0 40 HJAB Cc1ccc2c(CSc3ncnc4c3cnn4-c3ccccc3)cc(=O)oc2c1 3518338 GKYMYIIBPNCIKB-UHFFFAOYSA-N 400.463 4.523 0 40 HJAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 3636561 GQWPDVZXUMZGNF-KXBFYZLASA-N 400.544 4.658 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cccc(O)c1 4161122 QXVBPRZQCQKGKB-UHFFFAOYSA-N 414.490 4.642 0 40 HJAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cccc(OC(C)C)c4)c3)nn12 4556510 LZAYVEXNYBLTHA-UHFFFAOYSA-N 421.526 4.763 0 40 HJAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)C1 4755811 JHHYNSRRIQGYKY-PKMBRYCHSA-N 402.538 4.885 0 40 HJAB Cc1cccc(N2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)c1C 5094354 JWSXKGCYRWPJMV-UHFFFAOYSA-N 407.739 4.682 0 40 HJAB COc1ccc(OC)c([C@H]2c3cccn3CCN2C(=O)Nc2cccc(Cl)c2)c1 5256315 NDZGMXBLVFUINC-NRFANRHFSA-N 411.889 4.796 0 40 HJAB COc1ccc(C(=O)Nc2ccccc2-c2nnc3c4ccccc4c(C)nn23)cc1 5323761 GVOKFJKCMVWQNJ-UHFFFAOYSA-N 409.449 4.514 0 40 HJAB COc1ccc(-c2cc(C(=O)Nc3ncc(C)s3)c3ccccc3n2)cc1OC 5855480 DVSSABXAYPFCMD-UHFFFAOYSA-N 405.479 4.936 0 40 HJAB COc1ccccc1-c1noc(CSc2nnc(C3CC3)n2Cc2ccccc2)n1 7218553 SORBDFSBUPUQHB-UHFFFAOYSA-N 419.510 4.555 0 40 HJAB Cc1cccc(N2C(=O)C3=C(C2=O)[C@@H](c2cccc(O)c2)Nc2ccccc2S3)c1 7496289 NYZPAZAYJMZGTR-OAQYLSRUSA-N 414.486 4.787 0 40 HJAB O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1cccnc1Cl 8435649 PGIMUXZPNHJQAO-UHFFFAOYSA-N 424.835 4.942 0 40 HJAB COc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2cccc(Cl)c2)cc1 8476317 HPCVEOHDVCCHDC-UHFFFAOYSA-N 410.905 4.659 0 40 HJAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Cl)cc3)cc21 8959737 MXJXAIPISRGCNK-UHFFFAOYSA-N 400.906 5.000 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 9063181 FXNWYVQFNMPFCG-UHFFFAOYSA-N 408.542 4.803 0 40 HJAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)[C@@H]1COc2ccccc2O1 9391421 ZUQMWACXWFZLOG-LBPRGKRZSA-N 413.307 4.957 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)Nc1nc(-c2ccc3c(c2)OCO3)cs1 9404064 YJVCMLBEEHTQOW-UHFFFAOYSA-N 423.277 4.863 0 40 HJAB O=S(=O)(Nc1ccccc1SCc1ccsc1)c1ccc2c(c1)OCCO2 9467951 WZRXGKMFZFVUQO-UHFFFAOYSA-N 419.549 4.612 0 40 HJAB COCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](c1ccccc1)C3 10156924 SJKDMRDRYDMCRL-INIZCTEOSA-N 418.884 4.504 0 40 HJAB COc1cccc2c1O[C@@H](c1ccc3c(c1)OCO3)N1N=C(c3cccs3)C[C@H]21 10216115 YTNPAFNRCZQCGT-ZHRRBRCNSA-N 406.463 4.728 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCC3=CCCCC3)ccc2C)cc1 10371398 BMQINWYDIMEBBQ-UHFFFAOYSA-N 412.555 4.725 0 40 HJAB O=S(=O)(c1ccccc1)c1[nH]c(-c2ccccc2)nc1SCc1ccncc1 11694972 CWFLJLFHGXCTSO-UHFFFAOYSA-N 407.520 4.597 0 40 HJAB COc1cccc(-c2nc(CSCC(=O)Nc3c(F)cccc3F)cs2)c1 12853755 OEIMYDFGEINRDV-UHFFFAOYSA-N 406.479 4.969 0 40 HJAB CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 13477690 AHRKKPZTYTVPKS-XIGIHCPSSA-N 409.485 4.872 0 40 HJAB CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 13946132 XCPCPIZHVZXGBS-UHFFFAOYSA-N 423.900 4.521 0 40 HJAB COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc(OC)c1O 15016171 XZRWLORIUTVVOV-OPAMFIHVSA-N 408.479 4.713 0 40 HJAB Cc1nc(NC(=S)NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1Br 17091376 MRDVBPHPEQWNHY-IZZDOVSWSA-N 418.360 4.802 0 40 HJAB Cc1cccn2cc(C(=O)N3CCC[C@@H](c4nc5ccccc5n4C(C)C)C3)nc12 19718844 NPGZKFYZXGIFJF-GOSISDBHSA-N 401.514 4.593 0 40 HJAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC(C)C)c4)cc3n2)cc1 20611266 VQRZIYGZJWESTC-UHFFFAOYSA-N 416.481 4.777 0 40 HJAB O=C(CSc1ncnc2ccsc12)Nc1nc(-c2ccc(F)c(F)c2)cs1 22188209 VIJKGYLXQNEKOC-UHFFFAOYSA-N 420.491 4.824 0 40 HJAB CN(Cc1ccc(Cl)s1)C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 23221592 RWBWTYVDUBHCPX-UHFFFAOYSA-N 417.889 4.809 0 40 HJAB COc1ccc(Cc2nc(-c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)no2)cc1 28222175 ATRFOYGWPHSBMS-UHFFFAOYSA-N 421.403 4.867 0 40 HJAB c1ccc(-c2noc(CCCSc3nc(C4CC4)n(-c4ccccc4)n3)n2)cc1 32745227 CMUGGOROCLTVHA-UHFFFAOYSA-N 403.511 4.920 0 40 HJAB Cc1cccc(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1Cl 33828483 ABHHXJOYEXDAGJ-SFHVURJKSA-N 418.921 4.697 0 40 HJAB CC(C)[C@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1ccccc1 40131607 RAXRXAHFWDZUAH-QHCPKHFHSA-N 407.535 4.788 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)Nc2ccccc2)c1 47156174 SQOOEESTRWMWOQ-UHFFFAOYSA-N 420.412 4.759 0 40 HJAB COc1cc(CN(C)C(=O)[C@H](C)Oc2ccc(Br)cc2)ccc1SC 58218017 PSWUZGHCFNQJEJ-ZDUSSCGKSA-N 424.360 4.606 0 40 HJAB CN(C)[C@H](CNC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1cccs1 62580826 TXWDBRGBWAWUCZ-NQIIRXRSSA-N 411.596 4.770 0 40 HJAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349608 KEALCWBBQKPXIG-FQEVSTJZSA-N 406.476 4.899 0 40 HJAB COc1cccc([C@@H]2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccccc2)c1 89632095 BFKGQDVDVDXSKZ-QHCPKHFHSA-N 406.507 4.544 0 40 HJAB CC(C)C[C@H]1[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2ON1c1ccccc1 101087548 VWOCTRMVELYDAU-ZRBLBEILSA-N 400.478 4.564 0 40 HJAB CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 216439831 HKHCINDGVCPWTR-UHFFFAOYSA-N 414.914 4.956 0 40 HJAB CCOC(=O)c1ccc(NC(=O)COc2cc(C)c(Br)c(C)c2)c(C)c1 218841796 RMPXUQRZHKDTJK-UHFFFAOYSA-N 420.303 4.569 0 40 HJAB Cc1cccc(CSCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222671623 WNJLSFOUXPZZPF-IBGZPJMESA-N 412.599 4.560 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 224100221 CKAOHZWYRNMIRK-HXUWFJFHSA-N 424.585 4.552 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 224109069 TVWMINMXEDITNS-HXUWFJFHSA-N 424.585 4.552 0 40 HJAB Cc1cccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)c1 224267065 NRJSIJFFKDFEMZ-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CC(C)C(NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1)C(C)C 224269525 RSPPNZQWNGEDBU-UHFFFAOYSA-N 422.978 4.576 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 225080986 PQZDZPZBIBJQKW-RBBKRZOGSA-N 424.585 4.631 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 225255128 KIRYEWMOEZRZMU-NRFANRHFSA-N 416.562 4.642 0 40 HJAB COc1ccc([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)cc1 225468873 UIWQYWJTJAKTPU-JVDNRXPZSA-N 420.534 4.713 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 225667626 WLXVSAZUKMKJAM-AUSIDOKSSA-N 412.549 4.707 0 40 HJAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)ccc1OCC 225753563 BOYOFEVNSZDZOP-UHFFFAOYSA-N 411.498 4.721 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)CCc2nc(-c3cccc(C)c3)no2)cc1 225814710 UDJMZOCOZWEFPI-UHFFFAOYSA-N 407.470 4.573 0 40 HJAB O=C(NCC1CCN(C2CCSCC2)CC1)C1(c2ccc(Cl)cc2)CCCC1 244950857 FOWMXADYYODULG-UHFFFAOYSA-N 421.050 4.876 0 40 HJAB CC(C)N1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3ccc4ncccc4c3)c2)C1 257264544 LUXQBGCXUSIEGZ-OAQYLSRUSA-N 412.541 4.830 0 40 HJAB COc1ccc(C(=O)N[C@H]2C(C)(C)[C@@H]3C[C@@H]4[C@@H](c5ccccc5)OCC[C@@]42C3)cc1O 257319920 VUPDRRVXBSELDY-MMMUJPEDSA-N 421.537 4.713 0 40 HJAB Cc1cccnc1Nc1cncc(C2CCN(Cc3ccc4ncccc4c3)CC2)n1 257342791 ZQECRNJBZMVERR-UHFFFAOYSA-N 410.525 4.851 0 40 HJAB Cc1csc2nc(SCC(=O)Nc3c(Cl)cccc3Cl)nc(O)c12 408597835 CJBBRKFYPYQEMH-UHFFFAOYSA-N 400.312 4.743 0 40 HJAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 408665092 TYYLLSNWZQMUTA-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB COc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 408698230 MMSOVSVBUUHQBF-UHFFFAOYSA-N 404.857 4.849 0 40 HJAB COc1cc(C[C@@H]2SC(=O)N(CC(C)C)C2=O)ccc1OCc1ccc(C)cc1 409145109 MUKCMPDNFANGIN-NRFANRHFSA-N 413.539 4.845 0 40 HJAB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c1 409173788 KEFWLJZTWSPSMN-CXUHLZMHSA-N 418.927 4.737 0 40 HJAB Cc1ccc(CN2C(=O)CC[C@@]23CCCN(c2ncnc4ccsc24)CC3)cc1 585100082 FHKORIRMPZMWNO-HSZRJFAPSA-N 406.555 4.551 0 40 HJAB Cc1cnc(N=c2[nH]c([C@@H]3CCCCN3C(=O)OC(C)(C)C)cn3cccc23)s1 2037838528 MCECUUGROZPQQB-INIZCTEOSA-N 413.547 4.727 0 40 HJAB CC(=O)N1CCCCCCCN(C(=O)c2c(F)cccc2F)Cc2ccccc21 2037885017 PVLYEEMMNCAAMP-UHFFFAOYSA-N 400.469 4.924 0 40 HJAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)cc1 3312591 ZXVJYTBMIBKAMG-UHFFFAOYSA-N 420.490 4.592 0 40 HJAB COc1ccc(Br)cc1CN(C)CC(=O)Nc1ccccc1C(C)C 3540874 SYRSDSHSEYNVAE-UHFFFAOYSA-N 405.336 4.652 0 40 HJAB COc1ccc2cc(CN(C(=O)c3cccc(Cl)c3)C3CCCC3)c(=O)[nH]c2c1 4231075 QHPIWYGTHRWIMV-UHFFFAOYSA-N 410.901 4.775 0 40 HJAB Cn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1ccccc1Cl 4685315 QJRRQEQUSYGIBS-UHFFFAOYSA-N 418.975 4.633 0 40 HJAB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1 4928689 UADHLQCUBKDLGB-HSZRJFAPSA-N 409.445 4.833 0 40 HJAB CC[C@@H]1CCCCN1C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 5506228 GMGIKUOYOMRXLW-MRXNPFEDSA-N 408.523 4.911 0 40 HJAB COc1ccc([C@H]2c3cc4c(cc3O[C@]3(N5CCCC5)CCC[C@H]23)OCO4)c(OC)c1 5554766 NYLWYKVNXOZERE-BTZRARBUSA-N 423.509 4.549 0 40 HJAB CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)N(C)C1=S 6638208 STOMBCZMHHMEGF-JYRVWZFOSA-N 400.809 4.648 0 40 HJAB CC(=O)c1ccc(N2CCN(C(=O)/C=C/c3c(Cl)cccc3Cl)CC2)cc1 6981587 YQPGEUWDAQHSNX-MDZDMXLPSA-N 403.309 4.558 0 40 HJAB CC(C)(C)C(=O)NCc1ccc(C(=O)COc2cc(Cl)ccc2Cl)s1 7426821 NZXOGCIUELWXNV-UHFFFAOYSA-N 400.327 4.979 0 40 HJAB CN(c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(F)cc1 7985494 LOKOUJDPKOKQON-UHFFFAOYSA-N 405.878 4.883 0 40 HJAB O=C(CCc1nc2ccccc2s1)Nc1cccc(-c2nnc3n2CCCCC3)c1 8237328 CFPQNXUOOHXNOD-UHFFFAOYSA-N 417.538 4.853 0 40 HJAB CCCN(CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1nnc(-c2ccco2)o1 8243416 BKCNYGWRFPERTE-UHFFFAOYSA-N 416.481 4.847 0 40 HJAB Cc1cc(C)cc(NC(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)c1 8335698 LSNRPQUSJQATKY-UHFFFAOYSA-N 423.538 4.919 0 40 HJAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)Nc3ccccc3)cc2c1 8686531 VCUDGOCHAKDLOW-NRFANRHFSA-N 421.566 4.523 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)c1 8810655 MXFFSKFRZLOOGL-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 8959092 JVXZLOLKPBNROV-UHFFFAOYSA-N 402.441 4.625 0 40 HJAB Cc1cc(C)n2nc(SCc3cc(F)cc4c3O[C@H](c3ccccc3)OC4)nc2n1 9282931 IJERIBSVHSKEPS-HXUWFJFHSA-N 422.485 4.780 0 40 HJAB CC[C@@H](C)Oc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1 9306809 HOIYZDSQXHTABX-MRXNPFEDSA-N 401.466 4.997 0 40 HJAB COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 10060348 SSDGRVLHMXLRET-DNQXCXABSA-N 424.504 4.976 0 40 HJAB Cc1ccc(S(=O)(=O)CCCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 10218571 KAWYVSXYCPHRFX-UHFFFAOYSA-N 421.562 4.778 0 40 HJAB C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)N[C@H](C)c1ccccc1 11398463 NBZRNBJXUYDXBC-SJORKVTESA-N 414.461 4.918 0 40 HJAB COc1cccc(NC(=O)N2CC3(CCCC3)c3cc4c(cc3[C@H]2C)OCCO4)c1 11562832 UJXMZQUYFNSPSC-MRXNPFEDSA-N 408.498 4.887 0 40 HJAB Cc1cc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)n(-c2ccccc2)n1 11691649 HPAIKCRQSFBXFZ-UHFFFAOYSA-N 417.701 4.909 0 40 HJAB COc1ccc(OC)c(CNc2ncc(-c3cc(C)no3)c(-c3ccc(C)o3)n2)c1 12185977 KIFDXLALMKVGCD-UHFFFAOYSA-N 406.442 4.638 0 40 HJAB O=c1c2c3c(sc2nc(SCc2cccnc2)n1Cc1ccco1)CCCC3 12537621 UWIWUBSODALCEW-UHFFFAOYSA-N 409.536 4.665 0 40 HJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1cccnc1 12757958 CCXZFTFZZUTDTP-UHFFFAOYSA-N 402.885 4.860 0 40 HJAB O=C(NCc1ccccc1OC(F)(F)F)c1cccc(OCc2cscn2)c1 12988700 QQEUMXBSVLQENC-UHFFFAOYSA-N 408.401 4.551 0 40 HJAB CC(C)COC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)OCC(C)C 13511436 RKFQXNUDFLXOKP-ULBZPVTCSA-N 406.522 4.908 0 40 HJAB COc1ccc(Br)cc1CN(C)C(=O)c1ccc2c3c(cccc13)CC2 14775115 KDILNGZSSRSBFN-UHFFFAOYSA-N 410.311 4.982 0 40 HJAB CCSc1cccc(C(=O)N2CCN(c3nc4c(F)cc(F)cc4s3)CC2)c1 15882503 JBHDNCXMGSLJIJ-UHFFFAOYSA-N 419.522 4.649 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H]([C@H]1CCCN(Cc3ccccn3)C1)N2 19083911 IGCPSBXJPFOGDX-WDYCEAGBSA-N 421.511 4.775 0 40 HJAB COc1ccc2c(C)c(C(=O)N(Cc3cccnc3)Cc3ccccc3OC)oc2c1 19565732 KOMKHWUGRAOLFJ-UHFFFAOYSA-N 416.477 4.996 0 40 HJAB Cc1cc(C)c2nc(C)c(C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)cc2c1 19715330 OYNIECJIOGPYEJ-UHFFFAOYSA-N 401.510 4.957 0 40 HJAB COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccc(C)cc5)c4ncn3n2)cc1OC 21801199 VWRVZEBECKLRKD-UHFFFAOYSA-N 413.481 4.678 0 40 HJAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 25274468 FVKAGGCUROXDOQ-UHFFFAOYSA-N 404.470 4.742 0 40 HJAB CCn1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c2ccccc21 27552218 JMBLUNQJQDTXLX-WOJGMQOQSA-N 424.298 4.517 0 40 HJAB O=C(NCc1ccc(COCC(F)(F)F)cc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 29725829 OIFHRDWRZIUYNC-CABCVRRESA-N 412.374 4.686 0 40 HJAB CC(=O)N1CCc2cc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)ccc21 32905460 KYABOKVECALSLC-UHFFFAOYSA-N 418.880 4.732 0 40 HJAB O=C(COc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)Nc1ccc(F)cc1 33327342 PSPCKGNNZZMAJS-UHFFFAOYSA-N 407.376 4.699 0 40 HJAB Cc1cc(C(=O)N[C@H]2CCCc3ccccc32)c2c(C)nn(Cc3ccccc3)c2n1 36616602 AUFLCIODVHMQRL-QHCPKHFHSA-N 410.521 4.904 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@@H](C)SCc2nc(-c3ccccc3Cl)no2)cc1 40067447 FFYHKXPQHKBTFU-CYBMUJFWSA-N 415.902 4.853 0 40 HJAB Cc1cccc(OC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c1 41077659 VUMLAAIHNTZPAE-UHFFFAOYSA-N 405.273 4.505 0 40 HJAB Cc1ccc(C)c(N2CCN(C(=O)c3cc(-c4cccc5ccccc45)[nH]n3)CC2)c1 44838781 ZLRBKYUZGNLOMT-UHFFFAOYSA-N 410.521 4.809 0 40 HJAB CCc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1 57487311 WKPOXDNNRGSNTN-UHFFFAOYSA-N 420.900 4.737 0 40 HJAB Cc1nn2c(C3CCN(C(=O)OC(C)(C)C)CC3)ccnc2c1-c1ccc(F)cc1 57729239 VDINBPWHTHBXBQ-UHFFFAOYSA-N 410.493 4.958 0 40 HJAB CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc(-c2ccccc2)cs1 58357245 KIKUZFCBMBPDMN-OAQYLSRUSA-N 419.550 4.748 0 40 HJAB O=C(O[C@@H]1CCCCC1=O)c1ccc(COc2ccccc2Br)cc1 61756699 WBQSANHXHWZWKI-LJQANCHMSA-N 403.272 4.697 0 40 HJAB COc1ccc(C2(c3nnc(Cc4cccc5ccccc45)o3)CCOCC2)cc1 71889893 MKCNIHXZZWYIME-UHFFFAOYSA-N 400.478 4.919 0 40 HJAB CC(C)c1nc(CN2CCC[C@@H]2c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)no1 72308663 LOCQBESIVPMJGJ-MRXNPFEDSA-N 405.424 4.939 0 40 HJAB Cc1cc(-c2cc(=O)n(Cc3c(F)cccc3Cl)nc2-c2cccs2)on1 72337011 GOGULDUAVIHBRP-UHFFFAOYSA-N 401.850 4.776 0 40 HJAB Cc1noc(C)c1CC(=O)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 72350228 RDGZHHOYSGUDNM-UHFFFAOYSA-N 423.944 4.879 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c1 72353905 KPWAMLOBKCEYQM-DEOSSOPVSA-N 414.549 4.938 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)N(CC)Cc1nc(-c2cccs2)no1 95482376 WCULXHMLXKRASE-AWEZNQCLSA-N 405.907 4.658 0 40 HJAB O=C(CSCc1ccc(Cl)cc1Cl)NCc1nc(-c2ccccc2)no1 95482469 AEPOWVOZLMVUQY-UHFFFAOYSA-N 408.310 4.593 0 40 HJAB COc1ccc(/C=C/c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1OC 96193958 PFBBQZMHKUARNU-CSKARUKUSA-N 404.451 4.787 0 40 HJAB O=C(NCc1ccco1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344046 OGGPEVFESHSURA-JOCHJYFZSA-N 406.526 4.781 0 40 HJAB CC(C)(C)c1ccccc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 96814911 FJLXPLUTSFPMFA-LTGZKZEYSA-N 413.481 4.867 0 40 HJAB O=C1O/C(=C\Nc2nc(SCc3c(Cl)cccc3Cl)n[nH]2)c2ccccc21 100403904 WLYNOLOPFCOHQL-NVNXTCNLSA-N 419.293 4.985 0 40 HJAB CC(C)(C)CNC[C@H]1CC[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)CC1 100658077 RQIIRQBBYLMPDB-BGYRXZFFSA-N 423.601 4.617 0 40 HJAB CCCc1cc(C(=O)OCC)c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)s1 222498368 UURQRNAEFYOBCJ-BODMPHMZSA-N 419.543 4.509 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C)cc1 222532136 QSLFXCRYXNJKKM-HYBUGGRVSA-N 424.585 4.658 0 40 HJAB Cc1cccc(CN(C(=O)Cc2c(F)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 222747326 KREWZRYOFUYLJT-INIZCTEOSA-N 418.940 4.662 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSc1ccc(Cl)cc1 223844164 LLGRXDYSDAZSMP-HNNXBMFYSA-N 422.953 4.515 0 40 HJAB Cc1ccc(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 224665745 JBMZKMIAOHJCFJ-SFHVURJKSA-N 412.961 4.667 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 225081056 PQZDZPZBIBJQKW-UNMCSNQZSA-N 424.585 4.631 0 40 HJAB CCOc1ccc(-c2noc(CNC(=O)CCc3ccc(Cl)cc3Cl)n2)cc1 225381265 DZSRFZAQQBOTIN-UHFFFAOYSA-N 420.296 4.691 0 40 HJAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(C)C 225495784 NIBXOUHSUOCQDW-INIZCTEOSA-N 421.368 4.786 0 40 HJAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)c1 225498977 LGXMJHGHWSAGRR-HXUWFJFHSA-N 400.544 4.864 0 40 HJAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 225845247 CHZHGXNIFTZJSC-UHFFFAOYSA-N 420.600 4.929 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@H](Oc2cccc3cccnc23)C1 244983805 IRUBTJYDLFYREN-KRWDZBQOSA-N 401.388 4.939 0 40 HJAB CC[C@H](Oc1ccccc1)C(=O)N(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1 408714025 GUUMLJZRQPOCAA-FQEVSTJZSA-N 407.514 4.850 0 40 HJAB CCOc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)c2c(OCC)cccc12 409081616 QLYCLJVSWUXWDK-CYVLTUHYSA-N 408.498 4.863 0 40 HJAB Cc1cccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2ccco2)c1C 800093 MENSDUULYNHUPQ-LJQANCHMSA-N 422.447 4.982 0 40 HJAB Cc1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1C 835089 QXDJELUKPWRPIM-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB Cc1cccc([C@H]2C[C@@]3(CC(C)(C)NC(=S)N3)Oc3cc(O)c(Cl)cc32)c1 881882 NBAYWFCTEMAGSW-VFNWGFHPSA-N 402.947 4.611 0 40 HJAB Cc1cc2cc(CN(Cc3cccs3)C(=S)NCC(C)C)c(=O)[nH]c2cc1C 884686 ZRVVGLBJKBRSHL-UHFFFAOYSA-N 413.612 4.739 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(C)c1 1266736 GUHQTTISUGXBBR-UHFFFAOYSA-N 400.507 4.974 0 40 HJAB Cc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2c(=O)n1Cc1ccc(Cl)cc1 1363158 RAKCFGWLJGFYQR-UHFFFAOYSA-N 421.859 4.798 0 40 HJAB NC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C(Cl)=C(Cl)Cl 2150717 MNFIFYSKSZMJFB-UHFFFAOYSA-N 410.109 4.991 0 40 HJAB FC(F)Oc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2ncnn21 2918025 SZXKPFSKBAPSFR-GJZGRUSLSA-N 421.245 4.788 0 40 HJAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)sc2c1CCCC2 4558262 MBHVYPOFHFRFGE-LBPRGKRZSA-N 407.919 4.781 0 40 HJAB C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccco1)C(=S)N2c1ccc(F)cc1 4821876 CMUQPQFUNNJOLD-JTSKRJEESA-N 408.454 4.906 0 40 HJAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCc4cc(OC(=S)N(C)C)ccc4[C@@H]3CC[C@]12C 5064984 GQZNFJMIFMSYRX-ANZUNKEZSA-N 401.572 4.700 0 40 HJAB O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc2ccccc2n1 5079611 PYDDDEKNTMIFNQ-JOCHJYFZSA-N 400.409 4.911 0 40 HJAB COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)COc1cc(C)cc(C)c1 5164830 KXRIDRCWFZINNE-RZFJZAQRSA-N 423.553 4.586 0 40 HJAB O=C(Nc1ccccc1)N1CN(C2CCCCC2)CN=C1Nc1nc2ccccc2o1 5905379 GBWSVKIAHFPRAD-UHFFFAOYSA-N 418.501 4.693 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2F)ccc1C 6214010 FGQXKDUMUVNZAD-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB Cn1c(SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)nc2ccccc21 7138440 VYJMWZKZAXPBHN-UHFFFAOYSA-N 401.491 4.801 0 40 HJAB CC(=O)c1cccc(OCC(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)c1 7988298 SVADOWNSQFYOHR-NRFANRHFSA-N 418.518 4.759 0 40 HJAB Cn1ccnc1[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 8118058 KVEDPIZIKKEBTH-GOSISDBHSA-N 408.716 4.829 0 40 HJAB C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)c1ccccc1 8191548 ADEYIFVRUGWELT-KRWDZBQOSA-N 400.507 4.752 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 8310299 JFZUEQPQCXWPCW-IBGZPJMESA-N 400.906 4.585 0 40 HJAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccc4c(c3)CCCC4)n2)cc1 8428247 QKHHSKWTPRHCHN-UHFFFAOYSA-N 419.550 4.506 0 40 HJAB CCn1c(SCCCOc2c(C=O)cccc2OC)nnc1-c1ccc(C)cc1 8731812 FXFBUFTVJCYNBU-UHFFFAOYSA-N 411.527 4.656 0 40 HJAB Cc1ccccc1N1O[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]1c1cccs1 8741693 VXIZPLTWUXWILF-VAMGGRTRSA-N 424.909 4.761 0 40 HJAB Cc1c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)oc2c(Cl)cccc12 8880590 UXAJJPKRJHATIU-UHFFFAOYSA-N 420.899 4.660 0 40 HJAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccc(Br)cc3)ccc21 9137666 NWSTZMJGDWFNQM-UHFFFAOYSA-N 401.304 4.637 0 40 HJAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)Nc1ncc(Cl)cc1Cl 9372992 JWPFKTQUUZIPPK-DUXPYHPUSA-N 420.079 4.890 0 40 HJAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(-c2cccnc2)nc2ccccc12 9377153 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ILUXCZMFMKHYEC-HUTHGQBESA-N 424.389 4.846 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(Cl)ccc1F 15610734 IZWWZMBHBSKMON-UHFFFAOYSA-N 402.775 4.599 0 40 HJAB CC(C)n1ncc2c(C(=O)N(Cc3ccccn3)C3CCCC3)cc(C3CC3)nc21 19454708 QAFSKUOAKQDLBP-UHFFFAOYSA-N 403.530 4.870 0 40 HJAB CCn1ncc(-c2cc(C(=O)N3CCc4sccc4[C@@H]3c3ccccc3)no2)c1C 19524041 BBKCKFISOIUHAV-QFIPXVFZSA-N 418.522 4.716 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C 20061767 ADYJFWNKVSOGHN-UHFFFAOYSA-N 420.962 4.630 0 40 HJAB c1ccc(-c2oc3ncnc(NCCCN4CCOCC4)c3c2-c2ccccc2)cc1 20533307 MOAYQPPWNLQINH-UHFFFAOYSA-N 414.509 4.691 0 40 HJAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3n2)cc1 20610579 TWMMIRHUEWDAOL-UHFFFAOYSA-N 414.465 4.567 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3ccc(Cl)cc3)nnc2c1-c1ccc(F)cc1 20672717 AQNPTPZSGJMKLB-UHFFFAOYSA-N 409.852 4.707 0 40 HJAB Cc1ccccc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 22273830 PWKZPCNXAKTVSA-UHFFFAOYSA-N 422.550 4.952 0 40 HJAB O[C@@]1(c2ccc(OC(F)F)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 22408763 FHUHDILKEGEALP-OAQYLSRUSA-N 407.868 4.592 0 40 HJAB O=C(NCCCc1ccccc1)c1cnn(-c2ccccc2Cl)c1-n1cccc1 22575840 DASWCLFEHGFTBV-UHFFFAOYSA-N 404.901 4.679 0 40 HJAB COc1ccc2c(C)cc3nnc(SCc4noc(-c5ccc(C)cc5)n4)n3c2c1 25045888 VHHYEDDMIBYLIW-UHFFFAOYSA-N 417.494 4.850 0 40 HJAB O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccc2c(c1)OCO2 28227691 JQSUHSRBTCZFCK-UHFFFAOYSA-N 403.257 4.554 0 40 HJAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(N2CCc3sccc3C2)nc1 29816706 NQQOFCNCYQAREV-UHFFFAOYSA-N 422.535 4.604 0 40 HJAB CC(C)c1ccccc1OC[C@@H](O)COc1cccc(C(=O)NCc2ccccc2)c1 30597184 QJJZLBLPKRIWHW-QFIPXVFZSA-N 419.521 4.559 0 40 HJAB O=C1S/C(=C\c2ccccc2F)C(=O)N1CNc1cccc(Br)c1 33318253 DRTARYRKIYKUKQ-NVNXTCNLSA-N 407.264 4.694 0 40 HJAB COc1ccc(F)cc1-c1csc(NC(=O)c2ccccc2Br)n1 40111268 MRIQLQKZXLIONW-UHFFFAOYSA-N 407.264 4.973 0 40 HJAB Cc1cnc(NC(=O)c2ccc(Oc3ccc(F)cc3Br)nc2)s1 40140522 CTWPKZLXNVOWQF-UHFFFAOYSA-N 408.252 4.793 0 40 HJAB CN(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1Cl 44899940 HNBUWFABNKIFML-UHFFFAOYSA-N 403.103 4.793 0 40 HJAB COc1cccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)c[nH]c23)c1 71328173 AAVSTSJPIIQINX-UHFFFAOYSA-N 408.458 4.503 0 40 HJAB Cc1nc(-c2ccccc2)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)s1 72402641 GGGIAPKBMROIFM-UHFFFAOYSA-N 412.942 4.896 0 40 HJAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)cc1 95457261 RSDJUUSLMFAHSC-YWZLYKJASA-N 424.488 4.649 0 40 HJAB CCS(=O)(=O)Nc1ccc(N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1OC 95467447 OIPSTFXLHXLWPC-GOSISDBHSA-N 404.507 4.644 0 40 HJAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1 101136934 AFZQLWRVIQBPGG-VSKRKVRLSA-N 418.880 4.700 0 40 HJAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 102093654 VWUDQRBJMAYMFX-GLDUVZCJSA-N 409.869 4.840 0 40 HJAB Cc1ccccc1Nc1nnc(SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)s1 102181073 VDCHBYQJBWBFOF-FXUDXRNXSA-N 402.589 4.623 0 40 HJAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C 123301633 FFNJULBVNGBVGK-RETDQCSPSA-N 418.574 4.565 0 40 HJAB O=C(Nc1cccc(F)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 197514277 KPNAINORXKDLEY-QHCPKHFHSA-N 406.482 4.852 0 40 HJAB O=C(Cn1cccn1)Nc1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1 208007348 WOVOYZQGPPFXPA-UHFFFAOYSA-N 411.437 4.667 0 40 HJAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCS[C@@H](c2cccs2)CC1 219548428 CZWCJIGHMVRSED-OAHLLOKOSA-N 407.504 4.636 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1 222536650 ZULQYRAGGAPUGR-RDPSFJRHSA-N 424.585 4.577 0 40 HJAB CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 222932778 YBJUBXSALIQBKW-PKTZIBPZSA-N 420.582 4.900 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(OC)cc1 222977257 OSXMSDKKTPMPPF-FCHUYYIVSA-N 406.555 4.654 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 223816333 ONVKPYDQROKEIX-QHCPKHFHSA-N 412.549 4.709 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 223880631 AYGYMCKSJKIBMD-IBGZPJMESA-N 412.549 4.825 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC3CCCCC3)ccc2Cl)cc1 223962339 JCHOKPQENKUSJC-UHFFFAOYSA-N 420.962 4.759 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2C)cc1 224057176 KZHMGCNIVIHOSJ-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB Cc1ccc(SCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 224077866 ASOVJTJXYNEMHF-HXUWFJFHSA-N 424.610 4.606 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCSc2ccc(C)cc2)c1 225588304 AALUFZDRLKMPSD-UHFFFAOYSA-N 402.585 4.949 0 40 HJAB COC(=O)c1cc(NC(=S)NCCCSC2CCCCC2)ccc1Cl 225591094 WJZNPQFJQPZHHN-UHFFFAOYSA-N 400.997 4.869 0 40 HJAB CCOc1cc(CNC(=S)Nc2ccc(Br)c(C)c2)ccc1OC 225770406 HJHRSGSWVZBUPB-UHFFFAOYSA-N 409.349 4.651 0 40 HJAB CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)cc1C(=O)OC 225853728 HHIQLGUTPHHEGM-HXOBKFHXSA-N 405.535 4.966 0 40 HJAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)c(Cl)cc1O 257263144 LOPPSBQRQKIQEA-SNFLOIBZSA-N 421.965 4.709 0 40 HJAB COc1ncccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257330384 XODPUFFRTUEVBM-IBGZPJMESA-N 411.889 4.690 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccc(N(C)C)cc3)N21 260755942 CKSCOSJHZYSXLO-VSDWSMLSSA-N 417.582 4.918 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccn(-c4ccc(OC)cc4)c3)N21 260759283 FQVHLDJHDHTFCU-WTNAPCKOSA-N 404.539 4.860 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)Nc1ccccc1 409412149 SCRDAPPUVBHXKO-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CSCc1cc(C(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)ccc1F 598791766 LNBNXWYEZQMASS-QGZVFWFLSA-N 401.425 4.561 0 40 HJAB FC(F)(F)c1ccc([C@H]2CN(Cc3nc(-c4cccc(Cl)c4)no3)CCO2)cc1 679871500 UTIUTDUNCABCMH-QGZVFWFLSA-N 423.822 4.982 0 40 HJAB c1ccc2c(c1)CC[C@H](c1noc(C3CCN(c4nc5ccccc5o4)CC3)n1)C2 680771045 YFZADVPGXNXITD-IBGZPJMESA-N 400.482 4.867 0 40 HJAB COC(=O)c1c(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)sc2c1CCC2 673308 BDZXRISHPZRZCX-UHFFFAOYSA-N 417.380 4.512 0 40 HJAB Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n12 929785 PXIYPAFPWNKDMI-UHFFFAOYSA-N 419.554 4.605 0 40 HJAB Cc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@@H]2CCCO2)cc1 1224123 PFDJCFXQYNPKNS-NRFANRHFSA-N 421.566 4.523 0 40 HJAB O=C(Nc1ccc(Cl)cc1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 1337214 CFOMGBSCFWFLTJ-UHFFFAOYSA-N 416.909 4.957 0 40 HJAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3cccc(Cl)c3)c(=O)[nH]c2c1C 1359428 RMECCIDPXNPDIO-OAQYLSRUSA-N 424.928 4.620 0 40 HJAB Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)c1ccc(F)cc1 1361059 CQLNXCBWKVABPR-UHFFFAOYSA-N 400.494 4.730 0 40 HJAB Cc1cccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2ccco2)c1 1365927 VGDNCFRKMWCPGK-GOSISDBHSA-N 408.420 4.674 0 40 HJAB Cc1ccccc1-n1c(=O)c2c3c(sc2n2c(S)nnc12)C[C@H](C(C)(C)C)CC3 2209299 SZNLGUSYINQWDT-CYBMUJFWSA-N 424.595 4.843 0 40 HJAB Cc1cc(C)n(CCCn2c(SCc3ccccc3C)nc3ccccc3c2=O)n1 2733814 SIZJRRJCWWVZLX-UHFFFAOYSA-N 418.566 4.901 0 40 HJAB CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(Oc4ccccc4)c3)sc2c1 3216018 QWXDGBCYIQEEQE-UHFFFAOYSA-N 424.503 4.744 0 40 HJAB Cc1cc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c(C)n1CCC(C)C 3442561 IAJQADCECKGBRM-UHFFFAOYSA-N 419.451 4.706 0 40 HJAB CCCCNC(=S)N(Cc1cccs1)Cc1cc2cc(CC)ccc2[nH]c1=O 4134107 STMPVJULBBIHLI-UHFFFAOYSA-N 413.612 4.829 0 40 HJAB O=C(NCCCc1nc2ccccc2n1CCOc1ccccc1)C1CCCCC1 4384997 RMRJEPVMLHJTGQ-UHFFFAOYSA-N 405.542 4.744 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 4523837 GCLCRSANQZEFIQ-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccco2)N1c1nc2ccccc2s1 5322706 WFYASABIUMLSFK-SFHVURJKSA-N 400.415 4.746 0 40 HJAB CC(C)(C)c1ccc(OCc2nnc(SCc3c(F)cccc3Cl)n2N)cc1 6652290 SYNMIHUKVFFMFK-UHFFFAOYSA-N 420.941 4.953 0 40 HJAB Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3C(=O)NC3CC3)cc(C)c2c1 6912245 BQCTXKJWRPIABL-UHFFFAOYSA-N 419.550 4.783 0 40 HJAB COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)cc2OC)cc1 7884459 PNAUINPJOYNRHV-DEOSSOPVSA-N 418.493 4.522 0 40 HJAB CN(C)CCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 8373840 YTPQICLZIZNZST-UHFFFAOYSA-N 411.771 4.723 0 40 HJAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(CCC)cc3)ccc21 8840730 OIXCCPJMUHQHLS-UHFFFAOYSA-N 400.544 4.519 0 40 HJAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccc2c(c1)CCC2 9010759 VZWVNBFSWRFPKE-UHFFFAOYSA-N 416.502 4.502 0 40 HJAB C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1nccs1 9236136 JPOFTKWOGVBQON-AWEZNQCLSA-N 419.535 4.781 0 40 HJAB COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3ccc(F)cc3)nc12 9829769 CKHFCXLEVYPTAB-UHFFFAOYSA-N 423.469 4.695 0 40 HJAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc2c(c1)OCCCO2 10694616 PELHASVZHMNVCB-OAQYLSRUSA-N 412.489 4.891 0 40 HJAB CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 11566018 LAMQDNGAMQUJAX-UHFFFAOYSA-N 405.516 4.796 0 40 HJAB ClC1(Cl)C[C@H]1CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 12633721 XAJGWJFMXDTQIG-ZDUSSCGKSA-N 420.321 4.949 0 40 HJAB C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 12742052 LKMKZPAZZDWVKH-HOTGVXAUSA-N 420.962 4.568 0 40 HJAB CC(=O)c1sc(NC(=O)c2cnc3c(cnn3C(C)C)c2)nc1-c1ccccc1 12930188 KJDWUIACCGWVMC-UHFFFAOYSA-N 405.483 4.591 0 40 HJAB CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ncc(-c2ccc(F)cc2)o1 12998757 WPMQUTDFORQOBN-UHFFFAOYSA-N 407.367 4.570 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3C)n2CC)cc1 13842242 YVSAOWPOKDOVIZ-UHFFFAOYSA-N 424.570 4.787 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccc(C)c(Cl)c2)cc1 15390925 RKRSSYWJPRLJQV-GOSISDBHSA-N 420.962 4.529 0 40 HJAB COc1ccccc1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl 16228392 OYILRWISXMCEOW-FQEVSTJZSA-N 419.868 4.918 0 40 HJAB CCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc21 17316449 ZKDWZCYGGVTRDS-UHFFFAOYSA-N 420.534 4.708 0 40 HJAB CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C[C@@H](C)c2ccccc2)C1 19456043 KVVHGIDFPXOQHE-JIPXPUAJSA-N 413.565 4.533 0 40 HJAB Cc1nn([C@H](C)CC(=O)N2CCC[C@@H](COc3ccccc3F)C2)c(C)c1Cl 19577510 PANSGIVXJFBHKM-RHSMWYFYSA-N 407.917 4.561 0 40 HJAB Cc1nc([C@@H]2CCCN2Cc2ccc(F)cc2)ccc1C(=O)NCc1ccc(F)cc1 19709313 NRQYYAQKVYNRLW-DEOSSOPVSA-N 421.491 4.935 0 40 HJAB CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4cccs4)C2)C3)cc1 20503435 NYKIGZUPGQPYJK-FUHWJXTLSA-N 408.592 4.918 0 40 HJAB biogenic,in-vitro COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)ccc1OCc1cscn1 23082263 OTYCBDCMLBSNMJ-CQSZACIVSA-N 408.479 4.968 0 40 HJAB O[C@H](CN1CCN(c2ccccc2Cl)CC1)Cn1c2ccccc2c2ccccc21 23212008 IRNJFJYZPYKYHH-LJQANCHMSA-N 419.956 4.631 0 40 HJAB CCCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCCC2)cc1 27663579 BNYFLSZAFFVKND-XMMPIXPASA-N 410.558 4.831 0 40 HJAB biogenic COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)n2)cc1 32578637 POMGTYCPIGTDOW-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB O=C(COc1ccc(Br)cc1)Nc1cncc(-c2nc3ccccc3o2)c1 32581082 SWLFGGGLFRFAPW-UHFFFAOYSA-N 424.254 4.670 0 40 HJAB Cc1cccc(OCC(=O)Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)c1 32623188 PGLCTLCFERSWQY-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB O=C1c2ccccc2N[C@H](c2csc(-c3ccc(F)cc3)n2)N1C[C@H]1CCCO1 32854081 OZTJPMAZGKKBER-UZLBHIALSA-N 409.486 4.695 0 40 HJAB COc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)no2)cc1 33327401 RUUOEZZJVFBSFN-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 40050278 SZWCVRWPSOXMDG-OAQYLSRUSA-N 405.498 4.574 0 40 HJAB CCC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1cc2cc(OC)ccc2nc1Cl 40142467 WZZNQHGZSFCCNO-OAQYLSRUSA-N 423.900 4.993 0 40 HJAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(OC(F)(F)F)cc2)cc1O 40266365 WMWMCKDNRDERCU-AWEZNQCLSA-N 419.359 4.609 0 40 HJAB Cc1cccc(Cn2nccc2NC(=O)CSCc2coc(-c3ccccc3)n2)c1 44488699 PEEFTQKOWYWWCS-UHFFFAOYSA-N 418.522 4.767 0 40 HJAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 48066056 DJRKKQCHDFUZNU-BJRSVTDJSA-N 418.497 4.551 0 40 HJAB CCOc1cc([C@@H]2NCc3cc(OCC)c(OCC)cc3-n3cccc32)ccc1O 55028080 OXCXEWMONGDTMR-DEOSSOPVSA-N 408.498 4.572 0 40 HJAB CCCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2ccsc2c1=O 57426382 MHKKVROKUDYMEI-UHFFFAOYSA-N 421.975 4.951 0 40 HJAB C[C@H](NC(=O)c1ccoc1)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 65562493 CGDGFPOSRJMAGR-ZDUSSCGKSA-N 417.292 4.611 0 40 HJAB COc1ccc([C@H]2Nc3nonc3N=C3C[C@H](c4ccccc4)CC(O)=C32)c(OC)c1 102744678 RVKLIFYUEGXMPQ-LHSJRXKWSA-N 418.453 4.716 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 222413709 WNBFMKLOMXZXJY-JOCHJYFZSA-N 412.599 4.560 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C 222610983 GQXKFAYKAJODIP-ZJSXRUAMSA-N 408.586 4.611 0 40 HJAB COc1cc(C)c(S(=O)(=O)NCCSCc2ccccc2C)cc1C(C)C 223294193 GNRBFRDLRGQKCC-UHFFFAOYSA-N 407.601 4.647 0 40 HJAB CC(C)OC(=O)c1ccc(NC(C)(C)C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 223424514 OANVZWQFZHMMPY-UHFFFAOYSA-N 424.950 4.916 0 40 HJAB Cc1ccccc1CSCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 223720540 WMHMTWWCLGHSIE-FQEVSTJZSA-N 424.610 4.704 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C)cc1 223825981 GNCQNNXWNAWWEA-GOSISDBHSA-N 400.950 4.525 0 40 HJAB COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1COc1cccc(C)c1 224114617 WAPRWCJLLTVXDL-UHFFFAOYSA-N 416.521 4.545 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 224390683 NVUXQPJXIXHUTB-DEOSSOPVSA-N 420.528 4.855 0 40 HJAB CCOC(=O)c1cc(NC(=S)N[C@H](C)COc2ccccc2C)ccc1Cl 225637828 MNVOTESYZDFTEB-CQSZACIVSA-N 406.935 4.579 0 40 HJAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 225821864 XTZRJSQFPYOMAM-NRFANRHFSA-N 417.571 4.648 0 40 HJAB COC1(COc2ccc(Cl)c(Cl)c2)CCN(Cc2ccc3[nH]cnc3c2)CC1 257281094 ONOUDEUOTQFRIO-UHFFFAOYSA-N 420.340 4.930 0 40 HJAB CCn1c(Sc2oc(C=O)cc2Br)nnc1-c1cccc(Cl)c1 408554414 DUTDSTCVTXCKHK-UHFFFAOYSA-N 412.696 4.938 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1NC(=O)CC 408697316 IXHLRACCNCCREK-UHFFFAOYSA-N 417.314 4.541 0 40 HJAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 409169878 SQUBLYHKNKPBOC-FPXKJXHESA-N 424.522 4.847 0 40 HJAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 409180398 WXNPGTKPXGBLCV-RQZCQDPDSA-N 400.887 4.632 0 40 HJAB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC 409233345 FRHGRUDHNQCOKB-MHWRWJLKSA-N 421.280 4.888 0 40 HJAB O=C(Nc1ccccc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 409382897 XHOPDJSIYZESMJ-NRFANRHFSA-N 412.898 4.960 0 40 HJAB Cc1c(C)c(C)c(CN[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c(C)c1C 536840418 QPRVTYBFLOHLCO-HXUWFJFHSA-N 400.588 4.619 0 40 HJAB O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)c2ccccc2)c1 990982 JUICLWWZQSIXBK-UHFFFAOYSA-N 416.296 4.534 0 40 HJAB C[C@H](Oc1ccc(Br)cc1Br)C(=O)NC1CCCCCC1 1017046 OQNMIUHUKPBFLZ-NSHDSACASA-N 419.157 4.818 0 40 HJAB COc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Br)cc2)cc1 1101459 BFNRSFFTHHNRBQ-MRXNPFEDSA-N 409.374 4.902 0 40 HJAB CCOC(=O)CCc1c(C)c2ccc(OC/C=C/c3ccccc3)c(C)c2oc1=O 2147149 XCIXDJZYGZDOMS-DHZHZOJOSA-N 406.478 4.998 0 40 HJAB biogenic COc1cccc(C=O)c1OC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 2158807 LSPNVYBANBTGMX-UHFFFAOYSA-N 406.221 4.997 0 40 HJAB O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)c1cc(Cl)cc(Cl)c1 2514755 GMAXZHMSGIENNZ-UHFFFAOYSA-N 406.309 4.563 0 40 HJAB CC(C)CCNC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2630844 ZJRJIQAAZCPHNT-UHFFFAOYSA-N 416.930 4.936 0 40 HJAB Cc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C(N)=O)c3ccccc3n2)o1 2742137 LPMCKWURSZOAAS-UHFFFAOYSA-N 405.479 4.833 0 40 HJAB CCOc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 2887501 WKINUYMATHLOON-UHFFFAOYSA-N 401.919 4.837 0 40 HJAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)C(c2ccccc2)c2ccccc2)cc1 3264707 MIJGTESXPGIVLF-SFHVURJKSA-N 401.462 4.592 0 40 HJAB Cc1c(Cl)cccc1-n1c(SC[C@H]2CCCCO2)nnc1-c1ccncc1 3313421 WLSXLQIYGBAVAW-MRXNPFEDSA-N 400.935 4.952 0 40 HJAB COc1ccc(-n2c(S[C@H]3CCCCC3=O)nc3ccccc3c2=O)cc1Cl 3406381 JNVUGCHFRBAMIC-IBGZPJMESA-N 414.914 4.652 0 40 HJAB COc1ccc(C(=O)N(Cc2cc3ccc(OC)cc3[nH]c2=O)C2CCCCC2)cc1 4231076 ZWZDFQKPNVTWML-UHFFFAOYSA-N 420.509 4.520 0 40 HJAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C1=O 6629543 AMCXOQDAWJDXCX-XDHOZWIPSA-N 412.511 4.635 0 40 HJAB C[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 6941921 QPGJOYDIFQERHA-ZDUSSCGKSA-N 409.902 4.588 0 40 HJAB CCOc1cc(Cl)c(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1OCC 6958542 QKIQBYYZAZUKOA-VCHYOVAHSA-N 414.889 4.539 0 40 HJAB C[C@@H](Sc1nncs1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 7195304 QCGHKFBDMMYAGI-GFCCVEGCSA-N 412.565 4.858 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C(=O)Nn3c(C)ccc3C)cc2)c(C)c1 7302011 RFFNANPZLMIKCI-IBGZPJMESA-N 405.498 4.512 0 40 HJAB CC(=O)N[C@@H](CC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12)c1ccccc1 8013260 BVFVZUXNVSPOPU-NRFANRHFSA-N 412.493 4.516 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c(OC)c1 8114995 TZJVREDFNYZFFL-REZTVBANSA-N 407.850 4.733 0 40 HJAB Cc1oc2cc(OCC(=O)NCC3CCCCC3)ccc2c(=O)c1-c1ccccc1 8183695 OATYZRJRHKXFCB-UHFFFAOYSA-N 405.494 4.844 0 40 HJAB COc1ccc(C(=O)CCNc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1 8783576 UPWLGSQUDHXYHO-GOSISDBHSA-N 402.494 4.871 0 40 HJAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1=O 9113191 NZJSGNCXVPMDHQ-IMFGXOCKSA-N 419.550 4.570 0 40 HJAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccc(OC(F)F)cc1 9245558 DUBVJGBMEAYDEE-UHFFFAOYSA-N 423.419 4.855 0 40 HJAB Cc1ccc(S(=O)(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2)cc1 9347846 KFCQGKCBTYHDFP-UHFFFAOYSA-N 418.518 4.540 0 40 HJAB CCCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)Nc2cc(C)on2)=C1C 10355546 WCHOTKCRBZTDIG-QGZVFWFLSA-N 423.300 4.679 0 40 HJAB COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(OC)c(OC)c1)O2 12080335 AMXVGDZWMXQINT-PXDATVDWSA-N 416.477 4.955 0 40 HJAB Cc1cccc(C)c1OCCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 12539507 OFSRGKWPKRWADZ-UHFFFAOYSA-N 417.509 4.987 0 40 HJAB COc1cccc(-n2ccnc2SCC(=O)N[C@H](C)c2cccc(Cl)c2)c1 12556735 PHFDSDOAFJJRQR-CQSZACIVSA-N 401.919 4.504 0 40 HJAB Cc1cc(NC(=O)CN[C@H](c2ccc(F)cc2)c2cccs2)n(-c2ccccc2)n1 12796054 RYSXJEYLVAPLNE-HSZRJFAPSA-N 420.513 4.699 0 40 HJAB O=C(Nc1ccccc1Br)c1ccc(OCc2cn3ccccc3n2)cc1 12804507 YIWMZIMPRMEXPW-UHFFFAOYSA-N 422.282 4.928 0 40 HJAB COc1cccc(-c2nc(C(=O)Nc3cccc(Br)c3)cs2)c1OC 12823573 GFOUGUJWTQQWGS-UHFFFAOYSA-N 419.300 4.842 0 40 HJAB COc1ccc(NC(=O)c2ccc(-n3nncc3-c3ccc(C)cc3)cc2)cc1OC 12893932 LBMAXVFOWJCDSW-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB O=C(/C=C/c1ccccc1Br)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12994326 HFZGEVNQTSPPFJ-XSFOEPMVSA-N 414.299 4.597 0 40 HJAB Cc1ccccc1OCCCC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 13012988 PCSZGIXIVKUAFK-UHFFFAOYSA-N 409.313 4.558 0 40 HJAB C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O 13017409 RSNSTZVGSHAORR-HXUWFJFHSA-N 416.264 4.616 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2Cl)c1 13668413 HTUNTMYAFCDEML-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB COc1cccc(Nc2nnc(SCC(=O)Nc3cccc4ncccc34)s2)c1 14055739 IASJFYOJUBFHIK-UHFFFAOYSA-N 423.523 4.569 0 40 HJAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccccc1C 14126528 LOVBOLPDATVJNX-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB S=c1n(CN2CCC(Cc3ccccc3)CC2)nc(-c2ccncc2)n1C1CC1 14182883 LBFHTNFRVKPVMF-UHFFFAOYSA-N 405.571 4.723 0 40 HJAB CCc1ccc(-c2cc3c(SCC(=O)Nc4cccc(OC)c4)nccn3n2)cc1 16841617 TXRKYAJIUVNZQF-UHFFFAOYSA-N 418.522 4.698 0 40 HJAB Cc1c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)nnn1-c1cccc(C(F)(F)F)c1 17043409 CVELKJBJWRRGKG-UHFFFAOYSA-N 423.460 4.725 0 40 HJAB CCOCc1cc(CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)ccc1OC 19531115 KAQYOCVNGUWUSE-UHFFFAOYSA-N 423.475 4.734 0 40 HJAB Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2Cc2ccccc2Cl)c1C 19558592 BIDZRIWSCFEHPF-LJQANCHMSA-N 411.937 4.805 0 40 HJAB Cc1nc([C@]2(O)CCCN(CC3CC3)CC2)sc1CCOc1ccccc1Cl 19738680 AXHNANPYVGKBRU-QFIPXVFZSA-N 421.006 4.810 0 40 HJAB Cc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCN(C)CC2)cc1 20192880 QPMRIGGEHMPDDV-QFIPXVFZSA-N 423.582 4.855 0 40 HJAB Cc1nc(-c2ccsc2)sc1C(=O)OCC(=O)Nc1cccc2ncccc12 21530560 CNSALJUOBIRAMM-UHFFFAOYSA-N 409.492 4.524 0 40 HJAB CCc1nc2sc([C@@H](c3cccc(C(F)(F)F)c3)N3CCCCC3)c(O)n2n1 22853107 BOSWVKSOYRPYLT-OAHLLOKOSA-N 410.465 4.653 0 40 HJAB Cc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)C3CCCCC3)nc12 22998730 VCGNDXXMARKJRK-UHFFFAOYSA-N 421.994 4.504 0 40 HJAB COc1ccc(-c2csc3c(=O)n(Cc4cccc(Cl)c4)cnc23)cc1OC 23126661 IEWQFJLVAVJNOE-UHFFFAOYSA-N 412.898 4.844 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc3c(c2)CCC3)c(OC)c1 23313138 HBLZQWZIFVRRSE-QFIPXVFZSA-N 407.510 4.519 0 40 HJAB COc1cc(OC)c(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1Cl 26562001 ZJWUGGSTHFMMDH-UHFFFAOYSA-N 416.861 4.793 0 40 HJAB COc1ccc(OCc2ccc(C(=O)NCc3ccccc3C(F)(F)F)o2)cc1 27983795 PKPVVVIXQTZZGQ-UHFFFAOYSA-N 405.372 4.816 0 40 HJAB c1cncc(-c2nc(Sc3nnc(-c4cccnc4)n3C3CC3)c3ccccc3n2)c1 32855715 PWFJAJRWWJYNMM-UHFFFAOYSA-N 423.505 4.831 0 40 HJAB CCCOc1nc2ccccc2nc1N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 33088355 GKXOUDUHPDHFPN-SFHVURJKSA-N 418.541 4.512 0 40 HJAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 40103812 KICPEGCPSAFLHX-HNNXBMFYSA-N 421.372 4.936 0 40 HJAB Cc1noc(CSc2ccccc2C(=O)Nc2cc(Cl)c(N)c(Cl)c2)n1 42863945 NDICCCFDCHVUKH-UHFFFAOYSA-N 409.298 4.812 0 40 HJAB Cc1nnc2sc(-c3ccccc3NC(=O)CSc3ccc(Cl)cc3)nn12 57313689 SYHYPTUOORWHBZ-UHFFFAOYSA-N 415.931 4.545 0 40 HJAB Cc1cccc2c(=O)n(CCC(=O)Nc3cccc(Cl)c3SC(F)F)cnc12 58323548 ODAGBUBORQNUKT-UHFFFAOYSA-N 423.872 4.702 0 40 HJAB Cc1nc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)sc1Cc1ccccc1F 58393555 UYUGLCHCDZGJRE-UHFFFAOYSA-N 407.470 4.793 0 40 HJAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CCN(c2cc(C)ccc2C)CC1 59415254 DLJNJIQKCZUWCF-HINZLTGWSA-N 422.613 4.884 0 40 HJAB biogenic CCc1ccc(-c2csc(-c3nnn(-c4ccc(OC)c(OC)c4)c3C)n2)cc1 67341581 QYVIFFCGCAOSGE-UHFFFAOYSA-N 406.511 4.946 0 40 HJAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(-c2ccc(F)cc2)on1 72396276 PSXUTJWUYZTBRD-HXUWFJFHSA-N 416.456 4.533 0 40 HJAB O=C(OC1CN(c2nc3c(C(F)(F)F)cccc3s2)C1)c1ccc(F)cc1F 77101448 ACOPLRRLTIBBLQ-UHFFFAOYSA-N 414.355 4.639 0 40 HJAB Cc1sc(NC(=O)Cn2c(C)cc3ccccc32)c(C(N)=O)c1-c1ccccc1 89610733 NNCGAMBPKREGMX-UHFFFAOYSA-N 403.507 4.724 0 40 HJAB Cc1ccccc1Nc1nnc(SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)s1 102181062 VDCHBYQJBWBFOF-UGUYLWEFSA-N 402.589 4.623 0 40 HJAB CC(C)Oc1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 223087336 CAGVWRZYVTZLBF-JCMHNJIXSA-N 420.534 4.623 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 223094622 NPBVKWULMRUTAH-HXUWFJFHSA-N 412.599 4.562 0 40 HJAB COc1cc2c(cc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccccc1C)CCCC2 223301088 VTQZHROBTZSMIA-VWLOTQADSA-N 421.562 4.950 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1NC(=O)C(C)C 223645010 SEKQOTFACGTLFX-UHFFFAOYSA-N 406.573 4.927 0 40 HJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1Cl 223706876 BYDHXXGPXIEODH-CQSZACIVSA-N 401.890 4.802 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1C 223952963 DPDKVLXGBABCIO-QHCPKHFHSA-N 422.550 4.985 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 224659270 PEMPIIMFVFTYAH-XMMPIXPASA-N 408.586 4.734 0 40 HJAB COc1ccc(/C=C/C(=O)N2CCS/C2=C/c2csc(-c3cccnc3)n2)cc1 225260931 JLASDYNUIIUNEL-YTJXIWKKSA-N 421.547 4.801 0 40 HJAB CCOC(=O)c1ccc(NC(=S)N[C@H](CC)c2ccc(OC)cc2)cc1Cl 225489932 UBOPQUXPBSEHIX-GOSISDBHSA-N 406.935 4.963 0 40 HJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3cccc(N(C)C)c3)CC2)n1 257212711 CEQKERFGFDKWSC-UHFFFAOYSA-N 418.541 4.693 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)CCc2ccccc2)cc1 408617718 IUMXLVCDBGHUPP-IBGZPJMESA-N 422.550 4.547 0 40 HJAB CCCCNC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 409124380 BPPKTWNUZHNTMA-UHFFFAOYSA-N 422.550 4.612 0 40 HJAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c1 409364983 XBBIIMAFLLKUAR-LICLKQGHSA-N 400.887 4.632 0 40 HJAB CC(C)Sc1ccc(CC(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1 585146964 XQWZRBNNRJJMHQ-KRWDZBQOSA-N 423.504 4.539 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12 672892 XRXRCMHNSUTHDL-UHFFFAOYSA-N 412.445 4.949 0 40 HJAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3)C3CCCC3)cc2c1 880389 FGHGAFDYGSCYLL-UHFFFAOYSA-N 405.498 4.904 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)N2C(=O)CSC2=N1 997638 TVKHREASKDRVGS-NRFANRHFSA-N 405.523 4.709 0 40 HJAB Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)c1 1057901 CKKROKMITKMMMI-QHCPKHFHSA-N 413.477 4.815 0 40 HJAB biogenic,in-vitro CC(C)Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)s1 2401697 TYJJHBIGSDLQEK-LJQANCHMSA-N 417.490 4.593 0 40 HJAB Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 2417588 CGUVAVYGSRWKBY-RPWUZVMVSA-N 410.452 4.938 0 40 HJAB O=C(Cc1ccc(Br)cc1)Nc1nnc(SCc2ccccc2)s1 2639487 WRYJFISRDMMNBO-UHFFFAOYSA-N 420.357 4.774 0 40 HJAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2C(F)(F)F)cc1 2723163 KGJFMNFOWIJTIZ-UHFFFAOYSA-N 407.417 4.631 0 40 HJAB Cc1cc(OCC(=O)Nc2ccc(C(C)(C)C)cc2)c2c3c(c(=O)oc2c1)CCC3 3233810 IFZJBGPEQIMBQC-UHFFFAOYSA-N 405.494 4.905 0 40 HJAB Cc1c(Cl)cccc1-n1c(SC[C@@H]2CCCCO2)nnc1-c1ccncc1 3313424 WLSXLQIYGBAVAW-INIZCTEOSA-N 400.935 4.952 0 40 HJAB COc1ccc(C)cc1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 3319379 DYCWHCMOWQXHGJ-UHFFFAOYSA-N 407.850 4.806 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)c1 3445102 PSEREJKWTURJPM-UHFFFAOYSA-N 409.313 4.559 0 40 HJAB Cc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cc4cc(C)ccc4nc3Cl)C2)cc1 4426783 RTSFIIDWWNOMAE-HXUWFJFHSA-N 413.930 4.616 0 40 HJAB CC(C)c1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 4675793 NEDSTYKSJCNIMN-UHFFFAOYSA-N 423.576 4.510 0 40 HJAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCCc4ccc(F)cc4)c(C)c3cc12 4743987 OUQUYEQFNYLZED-UHFFFAOYSA-N 407.441 4.505 0 40 HJAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)no1 5307973 GKCUGTHQFVJXSH-NRFANRHFSA-N 400.434 4.963 0 40 HJAB COc1cc2c(cc1OC)C1=NC(=O)[C@@H](C(C)C)N1C(SCc1ccccc1C)=N2 5756188 KRYIEDFHWXJXGF-HXUWFJFHSA-N 423.538 4.560 0 40 HJAB O=C(COC(=O)c1cccc(C(F)(F)F)c1)NC(c1ccccc1)c1ccccc1 5981299 LSTOWJQUYSSVDC-UHFFFAOYSA-N 413.395 4.768 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc12 6508948 PXZMNYNZNHXYDL-UHFFFAOYSA-N 409.367 4.657 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1F)N(c1nccs1)C3=O 6732809 DIGYQYLEGOFOJD-GOSISDBHSA-N 406.438 4.755 0 40 HJAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCc1csc(C)n1 7088366 ZHWJAYJGHDVCSD-QFIPXVFZSA-N 421.522 4.768 0 40 HJAB O=C(CCc1nc(-c2ccccc2)no1)N1CCC(c2nc3ccccc3s2)CC1 8022790 PIJYIEKXJZENFT-UHFFFAOYSA-N 418.522 4.685 0 40 HJAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccccc2)[C@H]1c1cccc(F)c1 8022977 ZKLZNQXYCVOGKL-MDRMPYQZSA-N 423.484 4.619 0 40 HJAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC(c2nc3ccccc3s2)CC1 8086431 GPLBEOXQUWOTOS-FQEVSTJZSA-N 422.550 4.874 0 40 HJAB CN1C(=O)c2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2Oc2ccccc21 8961022 PSWBNVMVXIDQJI-UHFFFAOYSA-N 414.870 4.523 0 40 HJAB COc1ccc(C(=O)N(C(=O)N2CCCCC2)c2cccc(Cl)c2)cc1OC 9317776 KOUATVOEEACWAZ-UHFFFAOYSA-N 402.878 4.610 0 40 HJAB COc1ccc(CCCc2nnc(SCC(=O)c3ccc(Cl)cc3)n2C)cc1 9328131 JZQACACXBVPELC-UHFFFAOYSA-N 415.946 4.627 0 40 HJAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 9365825 MMJFTTOXGALLBT-UHFFFAOYSA-N 419.506 4.989 0 40 HJAB Cc1nnc(Sc2nc(/C=C/c3ccccc3)nc3sc4c(c23)CCCC4)n1N 9377111 PBZWTMVQHJBPDA-VAWYXSNFSA-N 420.567 4.505 0 40 HJAB O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1ccnn1C1CCCC1 9377129 KFBMYXGJPRFADA-UHFFFAOYSA-N 423.900 4.900 0 40 HJAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc(C(=O)c2ccccc2)cc1 9832357 STBZBMMYBOTGCG-UHFFFAOYSA-N 416.458 4.551 0 40 HJAB CC(C)(C)c1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 12293570 JDWBHSUFEBWAMY-FCHUYYIVSA-N 413.533 4.507 0 40 HJAB C[C@H]1C[C@@H](C)CN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)C1 12419523 UPHJAAOGDLQXPI-OKILXGFUSA-N 420.918 4.903 0 40 HJAB CN(Cc1ccc(Cl)s1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 14070324 VUBRCAPGMKKJSL-UHFFFAOYSA-N 408.914 4.921 0 40 HJAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc2ccccc2c1Br 14275485 PRJKDXBNISNNCZ-CQSZACIVSA-N 414.299 4.867 0 40 HJAB Cc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc(C)c1OC(F)F 15504077 VITBPLWWCAQDRO-OXJNMPFZSA-N 402.441 4.650 0 40 HJAB CCOc1ccccc1NC(=O)Cn1c(-c2nnc(CC(C)C)o2)cc2ccccc21 15881567 LZAIMFDEMKWQBV-UHFFFAOYSA-N 418.497 4.927 0 40 HJAB COc1ccc(NC(=O)Cc2csc(Nc3cccc(Cl)c3)n2)c(OC)c1 16850313 KDWCUHCIRBIJIQ-UHFFFAOYSA-N 403.891 4.739 0 40 HJAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1 17089704 QZWJCRBIZSJCBG-UHFFFAOYSA-N 413.724 4.628 0 40 HJAB c1ccc(OC[C@H]2CCCO2)c(CN[C@H](Cc2ccsc2)c2nccs2)c1 19349538 NJXPNIGAQNEPFO-RTBURBONSA-N 400.569 4.836 0 40 HJAB CC(C)Nc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cccc(F)c3)CC2)n1 19450289 WVISBEPBJQUMJZ-UHFFFAOYSA-N 419.504 4.518 0 40 HJAB CCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2ccncc2)CC1 19700265 WHMZEJMIQHMGPS-UHFFFAOYSA-N 419.594 4.771 0 40 HJAB Cc1ccc(OC(F)F)c(C(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)c1 23104718 DZHNRUXVEXVHLO-UHFFFAOYSA-N 408.784 4.926 0 40 HJAB C[C@@H](NCc1ccc(OCCO)cc1Br)c1cccc2ccccc12 25105827 IKOGHCAGSHKPTK-OAHLLOKOSA-N 400.316 4.824 0 40 HJAB CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCCC[C@@H]12 25184494 BPRMDKHXSGCKLD-IRLDBZIGSA-N 424.342 4.773 0 40 HJAB COc1cccc(OCc2ccc(C(=O)NCc3ccccc3C(F)(F)F)o2)c1 27935203 NMZVYQGZWJYSQD-UHFFFAOYSA-N 405.372 4.816 0 40 HJAB Cc1cc2occ(CC(=O)NCc3ccc(CN4CCOCC4)cc3)c2cc1C(C)C 29882598 GATWIBZFXNNSMA-UHFFFAOYSA-N 420.553 4.556 0 40 HJAB CCn1c(SC(c2ccccc2)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21 32672209 XJRDMBHQLQIXCJ-UHFFFAOYSA-N 423.563 4.585 0 40 HJAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 32905470 DRSBNUIZZHZQHL-UHFFFAOYSA-N 421.880 4.614 0 40 HJAB Cc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)no2)cc1 33327250 VHMLONSTXRQLAY-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB Cc1cccc(-c2nc3c4ccccc4n(CC(=O)c4ccc(C)cc4C)c(=O)n3n2)c1 35510883 RIFPNTOHSRKFEV-UHFFFAOYSA-N 422.488 4.519 0 40 HJAB Cc1c(C)n(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc12 37100486 UVRMVSNIHLNRGM-UHFFFAOYSA-N 415.459 4.739 0 40 HJAB O=C(NCc1ccccc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 40287551 NDEKWBYYYZVXJG-QHCPKHFHSA-N 402.538 4.798 0 40 HJAB CC1(C)C[C@@H](NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2O1 44918377 XEXFPYVLQIYAQY-OAQYLSRUSA-N 412.961 4.971 0 40 HJAB Cn1cc(-c2nc(C(=O)Nc3nc4ccccc4n3C3CCCCC3)cs2)cn1 46497513 GBKHQECUAFOYDT-UHFFFAOYSA-N 406.515 4.651 0 40 HJAB CCOC(=O)Nc1ccc2c(c1)Sc1ccccc1N2CCCN1CCOCC1 55211490 XIVOUFWKNIRIEY-UHFFFAOYSA-N 413.543 4.580 0 40 HJAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CSc1ccc(C(F)(F)F)cn1 55735880 MPEKHWYVEBLGEP-GFCCVEGCSA-N 405.445 4.820 0 40 HJAB Cc1nc2ccc(C(=O)Nc3ccc(-c4noc(C(C)(C)C)n4)cc3)cc2nc1C 65488094 BZQGZHHBXZCYHA-UHFFFAOYSA-N 401.470 4.846 0 40 HJAB O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccc2c(c1)OCCO2 69157916 RPZTUVQJCCWBCN-UHFFFAOYSA-N 417.284 4.596 0 40 HJAB CCOc1ccc(-c2nc(C)c(C(=O)NCCCCc3nccs3)s2)cc1 69485469 DUZLCCWHIHRRKJ-UHFFFAOYSA-N 401.557 4.726 0 40 HJAB O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)NCc1ccccc1Cl 72242808 JFEFZEVOBALSOK-UHFFFAOYSA-N 419.868 4.752 0 40 HJAB O=C(Nc1ccccc1)N1CC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1 96071012 HYLSXRQVBCURBV-UHFFFAOYSA-N 403.448 4.835 0 40 HJAB COCCn1ccc2cc(C(=O)N[C@@H]3CCCc4c3[nH]c3ccc(OC)cc43)ccc21 96232004 VOIXYYDORSHYEQ-JOCHJYFZSA-N 417.509 4.585 0 40 HJAB S=C(Nc1ccc(Cl)cc1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 100212214 LJMIHNWGPQSCOB-DEPWHIHDSA-N 402.007 4.932 0 40 HJAB biogenic O=C1[C@@H]([C@@H](O)c2c(Cl)cccc2Cl)C(C(F)(F)F)=NN1c1ccccc1 100355203 FFQYGZXPGZSGTG-KBPBESRZSA-N 403.187 4.608 0 40 HJAB C[C@H](NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)[C@@H]1C[C@@H]2CC[C@@H]1C2 101988248 DVINDJUGXNNONL-DGAVXFQQSA-N 418.419 4.563 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCSc1ccc(Cl)cc1 219674693 QEJZEZRQQOBDJZ-GFCCVEGCSA-N 414.752 4.778 0 40 HJAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCCC2)c1C 223004956 YBQJDXZDVDACFV-FCHUYYIVSA-N 412.603 4.624 0 40 HJAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 223411222 JHFHATQHMFLSHN-YADHBBJMSA-N 406.555 4.645 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCC1 223865921 QRNOKTLLDLUVTK-SFHVURJKSA-N 412.961 4.667 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 223907904 LSGWKLBLVPEZKC-MRXNPFEDSA-N 421.368 4.706 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C)cc1 224016436 FJWPAMKMBVHPON-DEOSSOPVSA-N 424.585 4.660 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 225081024 PQZDZPZBIBJQKW-IRLDBZIGSA-N 424.585 4.631 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C(=O)NC(C)C 408600847 CUDAQYNYLDZPLU-UHFFFAOYSA-N 424.522 4.726 0 40 HJAB O=C(COC(=O)CCCC(=O)Nc1cccc2ccccc12)Nc1ccccc1Cl 408644156 DWVHQINALISIIP-UHFFFAOYSA-N 424.884 4.784 0 40 HJAB COc1ccccc1OCCOc1ccc(C(=S)N2CCc3ccccc3C2)cc1 409194967 NUUWUQKMASMFNO-UHFFFAOYSA-N 419.546 4.887 0 40 HJAB CCCc1ncc(CN2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)cn1 585263432 JSQXLYKYHSMGJM-UHFFFAOYSA-N 408.575 4.712 0 40 HJAB CCN1CCN(c2ccc(NC(=O)NCc3oc4ccc(F)cc4c3C)c(C)c2)CC1 620062607 BVUDKXRRSQQGGR-UHFFFAOYSA-N 424.520 4.652 0 40 HJAB Cc1ccc(C(F)(F)F)c2c1N(C(=O)[C@@H]1CC(=O)N(C)c3ccccc31)C[C@H](C)C2 1623377734 CNEQDSJSYIBYJG-CZUORRHYSA-N 416.443 4.689 0 40 HJAB Cc1ccc(Sc2nsc(NC(=O)NCCOc3ccccc3C)n2)cc1 1662382773 DXRJETOLTRXZKT-UHFFFAOYSA-N 400.529 4.507 0 40 HJAB CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc3ccccc3[nH]1)[C@H]2Cc1ccccc1 2037845709 HBAGCJIWVNGFJG-WOKGGPCBSA-N 413.565 4.867 0 40 HJAB COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2ccccc2C)c1C 778386 QXFPCGFBVDLRDF-UHFFFAOYSA-N 422.506 4.965 0 40 HJAB CCC(=O)N(CCc1ccc(OC)c(OC)c1)c1nc(-c2ccc(F)cc2)cs1 932861 GGLJAEYBBMFFID-UHFFFAOYSA-N 414.502 4.952 0 40 HJAB COc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C(=O)c2ccco2)cc1 1366573 KBOZMDDCDXLPPE-UHFFFAOYSA-N 416.477 4.589 0 40 HJAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Oc1ccc2ccccc2c1 1393961 WXHRYDTWAXIISQ-UHFFFAOYSA-N 417.486 4.641 0 40 HJAB CCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(OCC)cc4)nc3c2)c1 2050797 UDRASQJOFUXTGW-UHFFFAOYSA-N 416.481 4.860 0 40 HJAB COc1ccc([C@H](O)[P@@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 2397669 ZBCHVPFBTSZELS-BTYSJIOQSA-N 411.438 4.573 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1c1ccc(Cl)cn1 2409982 JNPIDRGCQPDPTJ-LJQANCHMSA-N 406.800 4.730 0 40 HJAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccco2)nc2ccccc12 3310037 PQNVUDUSSGTITE-UHFFFAOYSA-N 411.505 4.889 0 40 HJAB CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(C)cc2)cc1 4518132 ILGSUQINIORZOA-UHFFFAOYSA-N 419.529 4.950 0 40 HJAB CCCCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C)N2 4598069 LEYXVTFMLYTEHS-INIZCTEOSA-N 406.939 4.676 0 40 HJAB Clc1ccc(-c2cc3nc4c(c(NCCCn5ccnc5)n3n2)CCCC4)cc1 4902582 ZGUZMIKIZARUKL-UHFFFAOYSA-N 406.921 4.627 0 40 HJAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)Nc1cccc(C)c1 4931455 ZMDYTLNMIXQVAA-UHFFFAOYSA-N 419.456 4.695 0 40 HJAB CC[C@@H](C(=O)N(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(C)C)c1ccccc1 4943783 PAWXIAIRIKHLCK-LJQANCHMSA-N 423.513 4.685 0 40 HJAB COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc(C)cc3)C[C@H]21 4995465 TXBVCKVXCBCOHE-JOCHJYFZSA-N 405.542 4.748 0 40 HJAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCCCC3)cc2)cc1 5463381 FLDLVXBWTSJKSL-UHFFFAOYSA-N 411.571 4.587 0 40 HJAB COc1ccccc1-n1cnnc1SCC(=O)N(c1ccccc1)C1CCCCC1 6082014 XQWRUMNAGHVIIE-UHFFFAOYSA-N 422.554 4.734 0 40 HJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 6248001 WWNNTYGLUGBOIO-UHFFFAOYSA-N 402.922 4.626 0 40 HJAB COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 6752840 YNPPSYKTVYAUGP-QHCPKHFHSA-N 419.525 4.662 0 40 HJAB O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccccc1Cc1ccccc1 6785363 PEJHJZQOEBILJQ-UHFFFAOYSA-N 417.490 4.760 0 40 HJAB CCN(CC)C(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 7408417 MMBFHKAAEQOAPV-ZDUSSCGKSA-N 409.313 4.881 0 40 HJAB COc1cc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)ccc1OC(F)F 7781087 HTHXSJDFJAREOR-HXUWFJFHSA-N 421.440 4.585 0 40 HJAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1c2ccccc2C[C@H]1C 8131676 LCIDZUAAPDLNCX-HZPDHXFCSA-N 404.539 4.603 0 40 HJAB CCOCCCNCc1cc(Br)c(OCc2ccccc2)c(OCC)c1 8253134 GJFMNWQJBILBBP-UHFFFAOYSA-N 422.363 4.943 0 40 HJAB O=C1CCc2cc(C(=O)CSc3nc4c(n3-c3ccccc3)CCCC4)ccc2N1 8331328 SNAPNARUFAEWIH-UHFFFAOYSA-N 417.534 4.611 0 40 HJAB CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccccc1F 8605026 IRTYUUHWFLXCBQ-UHFFFAOYSA-N 405.472 4.532 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1F)c1ccccc1F 8810667 XKMDCQNKNOEEDN-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB Cc1cccc(-c2nnc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)n2C(C)C)c1 8880437 OATBNPAIPCXFPM-HNNXBMFYSA-N 405.527 4.924 0 40 HJAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccc(Cl)cc3)cc21 8959639 XPTDIGZAOSUIFK-UHFFFAOYSA-N 416.905 4.519 0 40 HJAB O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8986246 HWRHAWKNUIPOND-VUFXHXBKSA-N 423.896 4.807 0 40 HJAB Cc1cccc(Nc2nc3nonc3nc2Nc2ccc(Br)cc2)c1C 9185416 JMSJOKYHEKAQEV-UHFFFAOYSA-N 411.263 4.879 0 40 HJAB COc1cc(C)cc2oc(=O)c(CC(=O)Nc3ccc(Cl)cc3Cl)c(C)c12 9429385 LRKBQHJSKIFVTC-UHFFFAOYSA-N 406.265 4.906 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 9513033 DMAASJPAWPXSPM-OAHLLOKOSA-N 405.889 4.511 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1cccc(F)c1 10229920 ZRRBUBDJAWPUHF-UHFFFAOYSA-N 424.423 4.854 0 40 HJAB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(CN2CCCCC2)cc1 10433938 KYWLPTYQYICOGL-UHFFFAOYSA-N 419.569 4.987 0 40 HJAB O=C1C[C@H](C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c2ccccc2N1 10642676 SDFDRUXFBPEBHE-NSHDSACASA-N 413.193 4.532 0 40 HJAB CCOc1ccccc1CNC(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12 12412470 XKTRXTWWRDFZDB-UHFFFAOYSA-N 412.489 4.743 0 40 HJAB Cc1c(Cl)cccc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 12764484 BFPKZIDNZJWVLN-UYRXBGFRSA-N 405.845 4.532 0 40 HJAB COc1cc(OC)c(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1Cl 12777951 YIQCGPNERHWZQQ-UHFFFAOYSA-N 418.902 4.953 0 40 HJAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1 12908621 MKQRMZMRWNKUQB-CQSZACIVSA-N 400.400 4.545 0 40 HJAB Cc1cc(C)n(-c2ccc(=S)n(CN3CCC(CCc4ccccc4)CC3)n2)n1 12944618 XEWIZMXOHGZNAM-UHFFFAOYSA-N 407.587 4.717 0 40 HJAB C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(F)cc1F 12971533 GCWYIJKRUKILAZ-MRXNPFEDSA-N 422.475 4.848 0 40 HJAB Cc1ccc(-n2nc(C)c(NC(=O)COc3ccccc3C(F)(F)F)c2C)cc1 12978455 BKDJJGMEBHSANE-UHFFFAOYSA-N 403.404 4.834 0 40 HJAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 14086502 WXXWORPXSCHHCB-SJLPKXTDSA-N 411.546 4.662 0 40 HJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 14398518 IOCGVULKJILVJS-QGZVFWFLSA-N 400.950 4.754 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccc(F)cc1 14402407 IPKGWVMBDWFGHG-FQEVSTJZSA-N 409.848 4.992 0 40 HJAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)c1C 14785159 INEKMDSFZXEEQQ-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB O=C1Nc2ccccc2[C@]12Oc1ccc(Cl)cc1[C@H]1CC(c3ccccc3)=NN12 15224498 YMXKFGTUEGSIIW-OFNKIYASSA-N 401.853 4.689 0 40 HJAB CCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1 15880751 WWCRPBNSVQFGPW-UHFFFAOYSA-N 410.499 4.539 0 40 HJAB Cc1cccc(-c2ccc(CC3(C(N)=O)CCN(C(=O)c4ccccc4)CC3)cc2)c1 19700522 JAGQBJGKYLQGCU-UHFFFAOYSA-N 412.533 4.612 0 40 HJAB Cn1c(CCC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)nc2ccccc21 19717588 ZOKVRUFXZDQKMT-UHFFFAOYSA-N 410.521 4.660 0 40 HJAB Cc1ccc(C(C)(C)CNC(=O)[C@@]2(Cc3cc(-c4ccccc4)no3)CCCO2)cc1 19740078 YRMAPLCJHBCEFH-SANMLTNESA-N 418.537 4.836 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 20311676 BIBOVCPCOSIHJP-JZLODUJNSA-N 419.352 4.618 0 40 HJAB Cn1nnnc1-c1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 21560245 LAAMMEDPIZNEAR-UHFFFAOYSA-N 423.398 4.815 0 40 HJAB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccc(C(=O)O)cc1 22747518 CXNLBRNATJQUKO-CPNJWEJPSA-N 416.408 4.649 0 40 HJAB Oc1c([C@@H](c2ccc(Cl)cc2)N2CCCC2)sc2nc(-c3ccco3)nn12 22851928 OEPXBZLJLKNZOU-OAHLLOKOSA-N 400.891 4.595 0 40 HJAB Cc1ccc([C@H]2C(c3nc4ccccc4s3)=C(O)C(=O)N2c2nnc(C)s2)cc1 24334750 ZSEWFYNOPUHBRE-KRWDZBQOSA-N 420.519 4.822 0 40 HJAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCC[C@H]1c1cccs1 24631454 GKSCOXIEUCLJKD-SFHVURJKSA-N 424.595 4.721 0 40 HJAB Cc1nc2sc3c(c2c(-c2cccc(F)c2)c1C(=O)N1CCOCC1)CCCC3 25056824 COTUXNHNGNENTD-UHFFFAOYSA-N 410.514 4.762 0 40 HJAB COc1ccc(CNC(=O)c2ccc(COc3ccc(C(C)C)cc3)o2)cc1OC 27983892 FARNZWACTGENBE-UHFFFAOYSA-N 409.482 4.929 0 40 HJAB CC(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCCCC2)cc1 28293000 HBTDQNZPLLBTCJ-JOCHJYFZSA-N 418.537 4.873 0 40 HJAB COc1ccc(Cl)cc1NC(=O)c1c(N)n(C(=O)c2ccccc2)c2ccccc12 28535236 LBHINVMDMXLFGK-UHFFFAOYSA-N 419.868 4.826 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc3oc(-c4ccccc4)c(C(=O)O)c3c2)cc1 35686173 XXUXSBCYKKXTOC-UHFFFAOYSA-N 407.447 4.907 0 40 HJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CCOc1ccccc1 40040448 NYBXUJFYEWTNBN-IBGZPJMESA-N 402.494 4.927 0 40 HJAB COc1ccc(OC)c(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c1 40143363 VVIVFUVGNOFOHH-UHFFFAOYSA-N 409.667 4.853 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCC(C)CC2)cc1 44855710 APEOVFFJERCWAE-QHCPKHFHSA-N 422.569 4.959 0 40 HJAB CCOc1ccccc1CNC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 44920061 MBDXBAKPBGFKSA-UHFFFAOYSA-N 421.368 4.921 0 40 HJAB Cc1nc(C)c(C(=O)N2CCC(Oc3nc4c(C)ccc(C)c4s3)CC2)s1 49442624 QGFZFRMVQOJHOA-UHFFFAOYSA-N 401.557 4.670 0 40 HJAB Cc1nc2c3ccccc3nc(SCc3ccc(F)c(Br)c3)n2n1 58365798 ULTKMNDNGSMSIJ-UHFFFAOYSA-N 403.280 4.780 0 40 HJAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cc(F)cc(F)c3)oc12 67295707 DDILOYFTZBYZGU-VYIQYICTSA-N 421.403 4.908 0 40 HJAB O=C(N[C@@H]1CCc2ccccc21)c1ccc(Oc2nccnc2N2CCCCC2)cc1 67323978 NMGKVFYOTDENJA-JOCHJYFZSA-N 414.509 4.677 0 40 HJAB CCOc1ccc2ccccc2c1C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70640039 DMOOBMGUNFPFSE-GOSISDBHSA-N 403.400 4.721 0 40 HJAB Cn1ccc2c(C(=O)N3CCc4[nH]c5c(Br)cccc5c4C3)cccc21 70666565 BLWALLMIHMSNGU-UHFFFAOYSA-N 408.299 4.621 0 40 HJAB biogenic COc1ccc(-c2c[nH]c3c(SCC(=O)Nc4ccc(F)cc4C)ncnc23)cc1 71328155 IXIBQDCLNNRTSV-UHFFFAOYSA-N 422.485 4.812 0 40 HJAB Fc1ccccc1Cc1nnc(C2(c3ccc(Br)cc3)CCOCC2)o1 71890004 HXEXCKZWQUVCPN-UHFFFAOYSA-N 417.278 4.659 0 40 HJAB O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1cccc2ccccc12 72235809 RAUBBCOHJYIJNP-UHFFFAOYSA-N 419.794 4.876 0 40 HJAB CCOC(=O)N[C@H](CNCc1sc(Sc2ccccc2)nc1Cl)C1CC1 72289903 PKONCCTWYWJVKZ-CQSZACIVSA-N 411.980 4.562 0 40 HJAB CC(C)CC(=O)N1CCCC[C@H]1c1nnc(C2CCN(CCc3ccccc3)CC2)o1 72344940 KUVUHJIVFFPDKK-QFIPXVFZSA-N 424.589 4.591 0 40 HJAB COc1cccc(-c2cncc([C@H]3CCCN(C(=O)CCc4ccc(F)cc4)C3)n2)c1 72359839 JRNDBXIZVDCXGO-FQEVSTJZSA-N 419.500 4.630 0 40 HJAB Cc1nc2ccccc2n1Cc1cc(N[C@@H](C)c2ccc(OC(C)C)cc2)nc(N)n1 72373259 RQECUMUOJCDELF-INIZCTEOSA-N 416.529 4.726 0 40 HJAB FC(F)(F)c1cc(N2CCC[C@H]2c2nc3ccccc3[nH]2)nc(-c2ccncc2)n1 79097730 HZHJSAZJEQCBLB-INIZCTEOSA-N 410.403 4.775 0 40 HJAB CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2N2CCCCC2)c1 95994531 PWYZPIRFJNUTMG-UHFFFAOYSA-N 413.949 4.855 0 40 HJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CSCc1cccc(Cl)c1 96247361 SNSAPGDYXYDUQH-UHFFFAOYSA-N 422.337 4.935 0 40 HJAB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)cc1 101010913 QBVBZOBHRWSSFE-VXNXHJTFSA-N 412.489 4.663 0 40 HJAB COc1cccc2c1O[C@@]1(C)C[C@H]2N(C(=O)c2ccco2)C(=S)N1c1ccccc1 102431530 CCYMNFHLHUANSN-HXOBKFHXSA-N 420.490 4.776 0 40 HJAB COc1ccc(CN2C(=O)/C(=C\Nc3ccccc3Cl)c3ccccc3C2=O)cc1 105008646 MNOHOCNROAXUEJ-ZHZULCJRSA-N 418.880 4.984 0 40 HJAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/C(C)=C/c3ccccc3)C2=O)cc1 210816528 PGOBTYDLZKGHRD-FNBOUAQFSA-N 422.506 4.707 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 219680213 FZXBECHYAHEVIB-AWEZNQCLSA-N 420.303 4.812 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSc1ccccc1 223179975 FOWPFNQKRPFSMN-OAQYLSRUSA-N 412.599 4.809 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 223646569 MYFXACGXTOOTRX-XMMPIXPASA-N 408.586 4.878 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 224242120 VWOFWFFYORXCQQ-MRXNPFEDSA-N 421.368 4.725 0 40 HJAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1CN1CCCCC1 224832252 LGPJZRKPYRGAQG-FQEVSTJZSA-N 402.538 4.909 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 225121894 CPXOQNDIUWHWQV-OAQYLSRUSA-N 400.950 4.525 0 40 HJAB Fc1ccc(COc2ccc(CNC(=S)Nc3ccc4c(c3)OCCO4)cc2)cc1 225534260 AQKLSLSIUHLWLG-UHFFFAOYSA-N 424.497 4.663 0 40 HJAB COC1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCCCCC1 225630796 LAIWDOQICIXCTR-WOJBJXKFSA-N 402.579 4.721 0 40 HJAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CSCN1C(=O)OCc1ccccc1 408736733 GOTVGCSQEGXKFC-INIZCTEOSA-N 411.310 4.644 0 40 HJAB CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OC 408776681 PMWDKQCQGWCKMA-CNEDASOKSA-N 418.946 4.909 0 40 HJAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C 409344214 IFCMYQSPIJGVNT-IUODEOHRSA-N 418.950 4.669 0 40 HJAB O=C(C1CCCCC1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643570426 FSGTUXRNXKDKOA-UHFFFAOYSA-N 413.558 4.524 0 40 HJAB CS(=O)(=O)NCc1ccc(NCc2ccc(-c3ccc(Cl)cc3)cc2)cc1 671191138 MESXYSMPSGQXSB-UHFFFAOYSA-N 400.931 4.668 0 40 HJAB O=C(CCN1CCN2CCC[C@H]2C1)N1c2ccccc2Sc2ccc(Cl)cc21 607721 ZQTOZLYOIRKCPL-KRWDZBQOSA-N 413.974 4.639 0 40 HJAB in-man COc1ccc(C(=O)N[C@H](c2ccc(C(C)C)cc2)n2nnc3ccccc32)cc1 885430 CEVZOZHPRFIFPH-QHCPKHFHSA-N 400.482 4.540 0 40 HJAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O 993266 KYWMTFHBMWEDQH-GXTWGEPZSA-N 421.722 4.651 0 40 HJAB COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2nc3ccccc3n21 1069402 RKUFWYZCLJTRPV-QHCPKHFHSA-N 410.477 4.973 0 40 HJAB O=C(c1ccc(C(F)(F)F)cc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F 1389661 UPINUVPEZKSAEV-UHFFFAOYSA-N 412.289 4.501 0 40 HJAB C[C@@H](NC(=O)C(Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 2258861 ZJWXXRKVVWUDSC-WOJBJXKFSA-N 400.522 4.600 0 40 HJAB CCCCCCNC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2306573 RRDQRKBVHSNRSP-UHFFFAOYSA-N 401.514 4.525 0 40 HJAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1 2703762 PGBFPMUOAOLEOZ-QHCPKHFHSA-N 411.457 4.855 0 40 HJAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 3344382 JLVNPBUELPCPSE-UHFFFAOYSA-N 423.586 4.811 0 40 HJAB Cc1ccc(-c2cnc(SCCNC(=O)c3ccc(C(F)(F)F)cc3)[nH]2)cc1 4315445 OOPUMDUXGBDOCU-UHFFFAOYSA-N 405.445 4.926 0 40 HJAB COc1cccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@H]2c2ccccc2)c1 4815013 PDWQODMSHOYVKR-XZOQPEGZSA-N 410.477 4.668 0 40 HJAB CN(Cc1ccccc1)c1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 4932994 DDJGPAGLGXXNIE-UHFFFAOYSA-N 404.491 4.811 0 40 HJAB CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1cccc(C)c1 4964632 VLUVZCUGGSPHNK-FQEVSTJZSA-N 422.554 4.539 0 40 HJAB Cc1ccc(NCc2n[nH]c(SCC(=O)Nc3c(C)ccc4ccccc34)n2)cc1 5531968 NXXBFLVFGAKOIP-UHFFFAOYSA-N 417.538 4.918 0 40 HJAB C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)c1nc2ccccc2c(=O)[nH]1 5887562 UVFBCNREBVPVIW-CQSZACIVSA-N 415.478 4.617 0 40 HJAB O=C(Nc1cccc(Cl)c1Cl)C1CCC(N2C(=O)c3ccccc3C2=O)CC1 6535823 BHHXZRFILKOFJK-UHFFFAOYSA-N 417.292 4.787 0 40 HJAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 6898924 AHHRDCZTJAJKDI-QMMMGPOBSA-N 401.706 4.809 0 40 HJAB O=C(O)/C(=C/c1cccc([N+](=O)[O-])c1)Sc1nnc(-c2ccc(Cl)cc2)o1 7603218 QQQHZCIHAWMLQC-ZROIWOOFSA-N 403.803 4.516 0 40 HJAB CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)[nH]2)C(=O)O)cc1 7603287 JPRVEYZNWBCFFC-WJDWOHSUSA-N 401.875 4.742 0 40 HJAB COc1cc(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc(Cl)c1OC 7821140 XCEUICQSXLHJJH-UHFFFAOYSA-N 408.932 4.781 0 40 HJAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1 7882527 VQXWMCIJRYASMX-MRXNPFEDSA-N 415.331 4.620 0 40 HJAB C[C@@H]1Oc2ccc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2NC1=O 8014785 YIOUBZZBCRYEBE-ZDUSSCGKSA-N 415.474 4.935 0 40 HJAB CCCCc1ccc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 8500075 FKIWKFYQVDLALN-UHFFFAOYSA-N 402.560 4.523 0 40 HJAB Nc1c(Br)cc(-c2nc3ncccc3o2)c(Cl)c1Br 8702064 FYOSSVUFGURATP-UHFFFAOYSA-N 403.461 4.650 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)cc1 8959923 YDZZZYITKDONJB-UHFFFAOYSA-N 410.514 4.745 0 40 HJAB FC(F)(F)c1cc(Cl)c2nnc(SCc3nc(-c4ccccc4)no3)n2c1 9218424 SASZFXVPIRYPEM-UHFFFAOYSA-N 411.796 4.744 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c(F)c1 9308957 GBBWARMEOTZPAJ-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB Cc1ccc(SCCNC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1 9318725 GLJHNYYQOLEWGV-UHFFFAOYSA-N 417.534 4.744 0 40 HJAB COc1cccc(OCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667413 ODTOJYNQUAFEDW-QGZVFWFLSA-N 419.481 4.598 0 40 HJAB C[C@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)N(C)Cc1cccc(F)c1 12550580 HNKLFCJIJNEKOZ-AWEZNQCLSA-N 403.910 4.804 0 40 HJAB CC(C)OCCSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1 12763660 LGZXHNBYYPYESQ-UHFFFAOYSA-N 419.344 4.665 0 40 HJAB C[C@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)C(=O)N1CCCc2ccccc21 12810873 OPHLDNVOZUVUOO-VOMSXAGXSA-N 408.502 4.574 0 40 HJAB CC1C[C@H](C)N(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)[C@H](C)C1 12849199 ZKWJNGGHUBLVSR-BIYLMJEMSA-N 410.440 4.786 0 40 HJAB C[C@H](C(=O)Nc1cccc(Br)c1)N(C)Cc1nc2ccccc2s1 12888408 KNMFLNVAULQXCS-GFCCVEGCSA-N 404.333 4.518 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cccc3C(C)C)C2)s1 12892035 ZMAXAUVMUBQOSZ-QGZVFWFLSA-N 420.600 4.528 0 40 HJAB COc1ccc(CN(C)C(=O)COc2ccc3ccccc3c2Br)cc1 14275397 UVFQOQODGWWNJE-UHFFFAOYSA-N 414.299 4.648 0 40 HJAB CCCN(Cc1nnc(-c2cccs2)o1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 16087963 GXUFXWOGWYFMSW-FMIVXFBMSA-N 423.947 4.664 0 40 HJAB Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccccc3C(F)(F)F)nn2)s1 16991871 BKEKAMSNSOKMBY-UHFFFAOYSA-N 424.473 4.967 0 40 HJAB Cc1cnccc1CN1CCC[C@@H]1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1 19239523 QARPJMRDPWWZLG-GOSISDBHSA-N 403.452 4.912 0 40 HJAB Clc1ccccc1-c1nnc([C@H](NCc2ccc3c(c2)OCO3)c2ccccc2)o1 20509706 PTYPKZRIOKTWAZ-OAQYLSRUSA-N 419.868 4.998 0 40 HJAB CCOc1cc(/C=C/C(=O)OCc2nnc(-c3ccccc3)o2)ccc1OCC(C)C 20897515 BWFMBQWLTNCDBT-ACCUITESSA-N 422.481 4.927 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(-c2ccccc2Cl)o1 21835052 FEQCOQMEWOZVEH-UHFFFAOYSA-N 403.265 4.930 0 40 HJAB COc1ccc(CNc2c(S(=O)(=O)c3ccccc3)cnc3ccc(C)cc23)cc1 22574160 UXGJAQYPJVNBCI-UHFFFAOYSA-N 418.518 4.997 0 40 HJAB Cc1nc(COc2ccc(C(C)(C)C)cc2)sc1C(=O)Nc1ccc(C(N)=O)cc1 27912702 HPMPBSDNGOVJPL-UHFFFAOYSA-N 423.538 4.679 0 40 HJAB COc1cccc([C@@H](CNCc2ccccc2OCc2cccnc2)N2CCCC2)c1 30544756 FLCUFRZUEKQPIN-RUZDIDTESA-N 417.553 4.596 0 40 HJAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccccc3Br)cc2)n1 32578665 AKBLNYVUJXQETP-UHFFFAOYSA-N 416.275 4.640 0 40 HJAB Cc1ncc(NC(=O)c2c(F)cccc2F)n1-c1nc(-c2ccc(F)cc2)cs1 32615913 DKGFYSAKSCVUCX-UHFFFAOYSA-N 414.412 4.974 0 40 HJAB CCCn1c2ccccc2c2nnc(SCCOc3ccccc3C(C)=O)nc21 32778393 BRQSBLJJTLUZQP-UHFFFAOYSA-N 406.511 4.763 0 40 HJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]([C@@H]2CC[C@@H]3CCCC[C@]3(C)[C@@H]2C(=O)O)[C@@]1(C)C(=O)O 33687272 YNMXEGGDGUBZKG-POFAJQHVSA-N 422.562 4.912 0 40 HJAB CN(C)C(=O)[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)c1ccccc1 37224402 ISKUUXNONPSLNM-NZQKXSOJSA-N 403.551 4.780 0 40 HJAB O=C(NCc1cccc(CN2CCCC2=O)c1)c1ccc(-c2ccccc2Cl)o1 40089473 JCFWBIKLGFXUOY-UHFFFAOYSA-N 408.885 4.652 0 40 HJAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCC(=Cc2cccc(F)c2)CC1 40135188 SMLMNJMSEJWUDL-UHFFFAOYSA-N 419.475 4.959 0 40 HJAB O=C(c1ccc(F)cc1Cl)N1CCC(Oc2nc3c(F)cccc3s2)CC1 49432489 KFMABPWOYQXLLB-UHFFFAOYSA-N 408.857 4.912 0 40 HJAB O=C(NCc1cccs1)N1CCC(Oc2nc3c(Cl)cccc3s2)CC1 49443149 MARGPEYAZQGCBB-UHFFFAOYSA-N 407.948 4.764 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 72058558 UXDFFQLISYHZSJ-QFIPXVFZSA-N 400.482 4.733 0 40 HJAB Cc1ncc(Cl)c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)n1 84057026 RDYRYLLDWVZPFK-UHFFFAOYSA-N 410.833 4.724 0 40 HJAB O=C(N[C@H](CCO)c1cccs1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 95426707 YTVOYLSXKBBOGM-MRXNPFEDSA-N 422.428 4.808 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)c1 95444880 HWOBHVHNYKOURE-PKTZIBPZSA-N 412.530 4.871 0 40 HJAB C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 95993253 MPJGXYSYXJGQDJ-NVXWUHKLSA-N 407.464 4.537 0 40 HJAB Cc1occc1C(=O)Nc1nc(CC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)cs1 96002287 XYXIZFJTTNRKEY-JBVUFVISSA-N 421.522 4.544 0 40 HJAB COC(=O)c1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 216244812 WCVFFLRMPHBBDN-UHFFFAOYSA-N 407.491 4.897 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 216404268 VZDLEURIERCVOV-GOSISDBHSA-N 408.523 4.595 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 216445891 HMMMQOZHWBCYNO-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB CCc1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(Br)c1 218866405 ZFKXPVPHHRQEFM-QGZVFWFLSA-N 418.331 4.809 0 40 HJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1nccs1 222908434 VTSFDJZNYBVDGW-OALUTQOASA-N 411.600 4.574 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 222994267 OBSCAZFIGATGGL-INIZCTEOSA-N 421.368 4.870 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)N[C@@H](C)CC)cc1 223130197 WATFNSAFMVEJPN-RBUKOAKNSA-N 412.549 4.653 0 40 HJAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc(OC)cc1 224596047 MEBMMTREDWPAMV-UHFFFAOYSA-N 405.494 4.911 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225011186 UBXFJJVYPRKTFA-CVEARBPZSA-N 421.368 4.868 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 225584558 HSJWJTPNPGALCN-GGAORHGYSA-N 424.585 4.713 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 225642841 XBQOFWAWTBOVND-DYESRHJHSA-N 416.562 4.640 0 40 HJAB CCOC(=O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 225932083 NBWMKJIDRMGSKY-UHFFFAOYSA-N 401.890 4.732 0 40 HJAB COc1cc(C(=O)O)cc(CSC)c1OC(=O)c1ccc(Cl)cc1Cl 226288852 VMIQBTXIMNQPSR-UHFFFAOYSA-N 401.267 4.782 0 40 HJAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)c1 408642713 PQGLYLCRFQDCBC-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1NC(=O)CC 408699327 WHVJAWBRAFTIIK-UHFFFAOYSA-N 417.314 4.541 0 40 HJAB COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)N[C@H](C)Cc2ccc(O)cc2)cc1 523596948 PNMOTNZGSFZMNY-OSPHWJPCSA-N 422.500 4.754 0 40 HJAB Cc1cc(O)nc2cc(C(=O)NCCc3cc(Cl)ccc3Br)ccc12 570966643 YCVOYKIITNJNNW-UHFFFAOYSA-N 419.706 4.637 0 40 HJAB c1ccc(-c2cnc(Nc3cccc(C[C@H]4COC5(CCNCC5)C4)n3)s2)cc1 585263252 SEWVAALNYXQSGL-QGZVFWFLSA-N 406.555 4.650 0 40 HJAB O=C(Cc1cccc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 675210 JNVGRYZRTRDLIG-UHFFFAOYSA-N 422.550 4.586 0 40 HJAB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 734252 MLPPDBHNZXJJDL-UHFFFAOYSA-N 403.231 4.975 0 40 HJAB Cc1ccc2cc(CN(C(=S)NCc3ccccc3)C3CCCC3)c(=O)[nH]c2c1C 874490 DXOAKAPWSNRFHO-UHFFFAOYSA-N 419.594 4.964 0 40 HJAB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)Nc3ccccc3)cc12 878556 AQRFDSLLVVUPLI-FQEVSTJZSA-N 421.566 4.523 0 40 HJAB CC(C)COc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CC(C)(C)OC3)cc1 993891 VIQAAUANLKEQLL-UHFFFAOYSA-N 403.500 4.585 0 40 HJAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 1359878 WHRUNDVSLUVWRK-CQSZACIVSA-N 400.841 4.941 0 40 HJAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 1439711 AGOLFDNGSYCOJP-GOSISDBHSA-N 406.935 4.546 0 40 HJAB NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(C(F)(F)F)cc1 2471379 GTRRJBXIYFWVMN-KQWNVCNZSA-N 411.177 4.545 0 40 HJAB COc1ccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2OC)CSC3)cc1 2474905 KFIJCSRTZBVEAH-UHFFFAOYSA-N 415.902 4.542 0 40 HJAB O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccc(Cl)c(Cl)c1)c1ccco1 2649393 LCZMIRAWYKJUHV-SFHVURJKSA-N 418.276 4.671 0 40 HJAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)c2C#N)C1 2736413 AORQVCVHMJZNIX-FVQBIDKESA-N 400.544 4.766 0 40 HJAB COc1ccc(/C=C/C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cc1OC 3228078 WCQJBSSHCKQMAJ-YVIRBKRRSA-N 402.446 4.884 0 40 HJAB C[C@H](Sc1nnc(NC(=O)c2cc3ccccc3oc2=O)s1)c1ccccc1 4088057 YXCNTKILRPUHBF-LBPRGKRZSA-N 409.492 4.750 0 40 HJAB O=[N+]([O-])c1ccc(NN=Cc2cccc3c(Br)ccc([N+](=O)[O-])c23)cc1 4265725 NSKRDSRQVXQTJI-UHFFFAOYSA-N 415.203 4.865 0 40 HJAB biogenic Cc1cc(C)c(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)c1 4285929 BRTJZPOUNBWNOL-UHFFFAOYSA-N 413.568 4.519 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)o2)cc1 4475399 RKIUBYAZWFCVKE-ZTFGCOKTSA-N 404.532 4.841 0 40 HJAB O=C(N/C=C/n1cnc2cc(C(F)(F)F)ccc21)c1ccc(Br)cc1 5600107 IIJZRFNKRPXRCG-BQYQJAHWSA-N 410.193 4.676 0 40 HJAB Cc1nnc(S/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)O)[nH]1 5721350 FXIGNZYVHLTIKG-LICLKQGHSA-N 401.875 4.563 0 40 HJAB COc1cc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)cc(OC)c1OC 5827170 FXVYXDMLXPUYGO-UHFFFAOYSA-N 417.465 4.588 0 40 HJAB COc1ccccc1CN1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)Nc1ccccc1 6785555 JUPZSMRQADKJOP-KRWDZBQOSA-N 417.556 4.557 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CNc1nc(-c2cccnc2)nc2ccccc12 8203862 YVLUPSJEEJLPNJ-UHFFFAOYSA-N 403.873 4.704 0 40 HJAB COc1ccc(-c2nnc(S[C@H](C)C(=O)c3c[nH]c4ccccc34)o2)cc1OC 8231557 LZTGQEIUMXKFED-GFCCVEGCSA-N 409.467 4.599 0 40 HJAB CCOc1cc(CNCCc2c[nH]c3ccccc23)cc(Br)c1OC 8253605 KDOLCPUSICJWQI-UHFFFAOYSA-N 403.320 4.670 0 40 HJAB Cc1cccc(C)c1OCC(=O)Nc1nc(-c2ccc(Br)cc2)ns1 8654869 MYFTZVRCECJMJF-UHFFFAOYSA-N 418.316 4.602 0 40 HJAB O=C(Nc1n[nH]c(CSc2nc3ccccc3s2)n1)c1ccc(Cl)cc1 8771632 AZHHEWYOMJMZFT-UHFFFAOYSA-N 401.904 4.612 0 40 HJAB CC(C)c1nnc(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)s1 8916255 BWOHEDBLRQXEEF-UHFFFAOYSA-N 423.926 4.789 0 40 HJAB Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3ccc(C)c(C)c3)ccc1O2 8961292 HMUNKTHKIPQJLH-UHFFFAOYSA-N 408.479 4.771 0 40 HJAB C[C@H]1C[C@@H](Sc2nnc(-c3c[nH]c4ccccc34)n2-c2ccc(Cl)cc2)C(=O)O1 9877917 ZYWNCXVJCDWOPZ-KPZWWZAWSA-N 424.913 4.865 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC(C(C)C)C(C)C)ccc2C)cc1 10314509 JKWNHXCNCXXXKQ-UHFFFAOYSA-N 402.560 4.515 0 40 HJAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc4ccc(OC)cc4nc3C)o2)cc1 10726527 PRZLSGKGHXOUFE-CQSZACIVSA-N 419.437 4.528 0 40 HJAB COc1ccc(CSc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)cc1 14705662 FCTWSWCINFDCAX-UHFFFAOYSA-N 404.491 4.695 0 40 HJAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cc2c(s1)CCC2 14895523 OPMFQNJIAXJHJU-UHFFFAOYSA-N 416.852 4.620 0 40 HJAB CC(=O)Nc1cccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c1 15421454 AXHDLRGNRGKVKM-UHFFFAOYSA-N 418.280 4.826 0 40 HJAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(N2CCCC2=O)c1 19311742 PCOZECLBPSETDG-UHFFFAOYSA-N 411.914 4.772 0 40 HJAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@H]2CC23CCC3)C1 19591021 WRIZDQDXJMDHSU-NLFFAJNJSA-N 422.594 4.503 0 40 HJAB CN(Cc1ccc2ncccc2c1)C(=O)CC1CCN(CCc2ccccc2)CC1 19745348 FEQSFWHYWQPRKE-UHFFFAOYSA-N 401.554 4.538 0 40 HJAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2nnc(-c3ccc(F)cc3)o2)n1 19929207 VEMWKQWWALNVGT-UHFFFAOYSA-N 417.853 4.615 0 40 HJAB CC1=NC2=NC(N3CCC(Cc4ccccc4)CC3)=N[C@@H](c3ccccc3)N2C(O)=C1 20028265 DTAWCWFTKKTTCP-HSZRJFAPSA-N 413.525 4.541 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 20111995 JCGHVRCSRZOLMZ-LJQANCHMSA-N 422.550 4.904 0 40 HJAB CC[C@@](O)(c1ccc(OCCC(C)C)cc1)[C@H](CN1CCOCC1)c1ccccc1 20868878 ROHDAMDNCHTNMF-CLJLJLNGSA-N 411.586 4.825 0 40 HJAB CCC[C@@H](C)NC(=O)COC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 23580262 JDNQFYULNIFBNB-ZGPWBKFBSA-N 417.452 4.677 0 40 HJAB COC(=O)c1ccoc1CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 24102902 NHUBBTCAXRHYOH-UHFFFAOYSA-N 423.469 4.804 0 40 HJAB Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N(C)C)cc(=O)c2cc1C 28289799 XEOQSIRAOJTNNE-NRFANRHFSA-N 420.553 4.740 0 40 HJAB COc1cccc(-c2nc(C(=O)OCc3nc4ccccc4s3)cs2)c1OC 29520193 PWKOIEGMQXWMEE-UHFFFAOYSA-N 412.492 4.794 0 40 HJAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCCCCCC1 32968982 PAYNMRKTJGGHMU-KRWDZBQOSA-N 417.402 4.638 0 40 HJAB CCOC(=O)c1sc(-c2ccc3c(c2)OCO3)cc1NC(=O)c1cccs1 36397287 SHLZMWJWUJMQHX-UHFFFAOYSA-N 401.465 4.634 0 40 HJAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cc(C)n(C(C)C)n3)c12 36616137 GUPHTWULIHFSID-UHFFFAOYSA-N 414.513 4.944 0 40 HJAB COc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)Cc1c(C)cc(C(C)(C)C)cc1C 40106086 UHKJRRCUTGHHTK-QGZVFWFLSA-N 417.571 4.552 0 40 HJAB COc1ccc([C@H](NC(=O)c2cc(C)nc3c2c(C)nn3C(C)(C)C)C2CC2)cc1 48290838 PEVQRRPVVWVBNN-OAQYLSRUSA-N 406.530 4.693 0 40 HJAB COc1cc(C(=O)N2CCCSc3ccccc32)ccc1OCc1cscn1 57985817 WFFZXUOIWIHWIH-UHFFFAOYSA-N 412.536 4.873 0 40 HJAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12 59500387 UBGFDMPNBIZBBN-AYIBLLACSA-N 409.485 4.656 0 40 HJAB biogenic COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccccc3F)oc12 67295687 DUFBNPPQVLRWDS-RWEWTDSWSA-N 403.413 4.769 0 40 HJAB COC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)c1 67339365 HRNQXNYXISFKNB-SOFGYWHQSA-N 400.228 4.634 0 40 HJAB 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@H]4[C@@H]3CN2C1 70454884 MWBJDDYEYGDWCZ-ATGPSCQOSA-N 413.646 4.771 0 40 HJAB biogenic,in-vitro COc1ccc(CC(=O)O[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 72307901 HZDJQRUZRAFAQN-NRFANRHFSA-N 418.415 4.887 0 40 HJAB CC(C)c1nccn1-c1nccnc1[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 72350691 PNKOYVPHSBTRTQ-NRFANRHFSA-N 417.557 4.515 0 40 HJAB Fc1ccccc1OCCc1cc([C@@H]2CCCN2Cc2ccc3[nH]ccc3c2)n[nH]1 72378357 UPVFZBIJGZBFGI-QHCPKHFHSA-N 404.489 4.989 0 40 HJAB O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)C1(c2cccs2)CCCC1 90533418 PETBBFCGQICBAN-UHFFFAOYSA-N 421.566 4.701 0 40 HJAB Cc1ccc(NC(=O)[C@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)c(F)c1 96037515 NOJJOFMYYYTJRV-HSZRJFAPSA-N 406.505 4.650 0 40 HJAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)[C@H]1C=C[C@H]2C1 100391259 MNJJMOWNOOCDRA-FEBSWUBLSA-N 414.288 4.884 0 40 HJAB Cc1cc(Br)cc(C)c1NC(=O)NCc1cccc(N2CC=CC2)c1 101392335 ZMKJEECFINXACD-UHFFFAOYSA-N 400.320 4.764 0 40 HJAB CCOc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)cc1OC 102606851 RIMSCSPMGBPCQV-HXOBKFHXSA-N 416.481 4.751 0 40 HJAB Cc1ccc(C2=NN3[C@H](c4ccncc4)Oc4ccc(Br)cc4[C@H]3C2)o1 102725941 SSXKPJCXHIZOQD-XLIONFOSSA-N 410.271 4.988 0 40 HJAB C[C@H](NC(=O)C1CCC(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102955554 IOGFZBPTYATEIP-IOHOHXORSA-N 414.634 4.675 0 40 HJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1nc(-c2cccc(C)c2)no1 219341658 URTOOXPHYJRVCB-HXUWFJFHSA-N 401.466 4.672 0 40 HJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 219352462 PXPVDAMMQFUSPI-NRFANRHFSA-N 401.466 4.672 0 40 HJAB CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220558759 WQLSBXGNHWYZOK-NRFANRHFSA-N 402.560 4.610 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 222532735 IVSKHEFBSZTQEG-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)O)o1 222937543 MDSUZXFZYZXZGQ-RTWAWAEBSA-N 421.522 4.668 0 40 HJAB CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 223045393 DCUITTIKCSWMMN-VWLOTQADSA-N 404.554 4.653 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 223176666 URTPFAKVMRHOPS-QFIPXVFZSA-N 424.585 4.911 0 40 HJAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3C)c2)c1 224129819 LWJVAKZAVLILKG-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1 224399746 MHPPLKMRRWNJDR-QHCPKHFHSA-N 410.533 4.543 0 40 HJAB COc1cccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1OC 225043459 NJRWUDZKKRPEKG-UHFFFAOYSA-N 400.327 4.674 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 225091424 GJTLJGDYSDPZGQ-MSOLQXFVSA-N 400.950 4.523 0 40 HJAB Cc1ccc(NC(=S)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1 225456274 WNJFGLHKCLHDRS-UHFFFAOYSA-N 417.332 4.636 0 40 HJAB Cc1ccccc1CN(C(=O)CCSCc1ccccc1)[C@@H](C)C(=O)NC(C)C 225491114 BJLOEARMZJWWAO-FQEVSTJZSA-N 412.599 4.560 0 40 HJAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1 225569236 GEYKPYGZYUTLOE-UHFFFAOYSA-N 424.585 4.793 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 225640580 DYEBYIMSANZYCX-HRAATJIYSA-N 418.940 4.744 0 40 HJAB Cc1cccc(Nc2ccc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)nc2)n1 257248611 JELDBVKAXOMFQW-DEOSSOPVSA-N 411.509 4.650 0 40 HJAB O=C(c1ccc(OCc2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1 510915016 QJMRDUAGKFXMCJ-UHFFFAOYSA-N 412.493 4.557 0 40 HJAB O=C(Nc1cccc(-c2nc(C3Cc4ccccc4C3)no2)c1)[C@H]1Cc2ccccc2O1 547083284 VJRMXQXIUCJKND-HSZRJFAPSA-N 423.472 4.561 0 40 HJAB Cc1sc2nc(CN(Cc3cccs3)C(=O)Nc3ccccc3)[nH]c(=O)c2c1C 1358980 WRIMGNPSAXUGJQ-UHFFFAOYSA-N 424.551 4.897 0 40 HJAB COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 2418197 CQXYVHFEXFVALV-LJQANCHMSA-N 418.474 4.625 0 40 HJAB CC(C)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 3561231 ZUJQSLYNJPIJAV-UHFFFAOYSA-N 420.962 4.890 0 40 HJAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cccc(F)c3)N2C1=O 3636852 SNXGXRXDFQWDCF-ICSRJNTNSA-N 424.497 4.608 0 40 HJAB C[C@@H](NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2)c1ccccc1 4223204 DBCALZNRLMASGI-MRRJBJDNSA-N 404.392 4.627 0 40 HJAB COC(=O)[C@H]1C[C@@]2(c3ccccc3)S[C@]1(c1ccccc1)c1nc3ccccc3n12 4649807 MMXUOIONMUYDOX-NGXZDTIWSA-N 412.514 4.921 0 40 HJAB CCCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2c(oc3ccccc32)c1=O 4852706 CMZAORPOBSAKNJ-UHFFFAOYSA-N 421.522 4.900 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1C 4860607 OKPGXTRGUOVDNB-UHFFFAOYSA-N 404.495 4.841 0 40 HJAB CCCCOc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)cc1 5124324 VOONXBGQMIFIBH-AQTBWJFISA-N 400.272 4.973 0 40 HJAB COc1cccc2sc(N(Cc3cccnc3)C(=O)CCc3ccccc3)nc12 5142135 ZYCQNBBWCRIFAM-UHFFFAOYSA-N 403.507 4.866 0 40 HJAB CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc(Cl)cc1 5309440 PXZZDJLCKWHRIA-UHFFFAOYSA-N 414.918 4.552 0 40 HJAB CC(C)CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O 5491982 YDGUIFAGOMWIGB-OAHLLOKOSA-N 420.538 4.532 0 40 HJAB C[C@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccccc1Cl 6461177 OMNKDFLVHHXWTM-INIZCTEOSA-N 408.885 4.849 0 40 HJAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ncccc3C)[C@H]2c2cccs2)cc1 6604510 FCSYWOUWMQJFTQ-NQIIRXRSSA-N 405.523 4.883 0 40 HJAB Cc1oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2c1C(=O)O 6659106 GREGUWGUNUFFLO-UHFFFAOYSA-N 400.239 4.547 0 40 HJAB Cc1cccc(CN2C(=O)N/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)C2=O)c1 6967256 AFMNHTPORUIPIX-FYJGNVAPSA-N 405.885 4.840 0 40 HJAB CC1(C)Cc2cccc(OCC(=O)N3CCC[C@H]3c3nc4ccccc4s3)c2O1 8072450 ADQQRIMSCDRPLA-KRWDZBQOSA-N 408.523 4.752 0 40 HJAB CCCOc1ccccc1OCC(=O)N1CCC(c2nc3ccccc3s2)CC1 8086224 ZIJFEXFJUQKMHA-UHFFFAOYSA-N 410.539 4.870 0 40 HJAB O=C(CSc1nc2ccccc2o1)Nc1cccc(-c2nnc3n2CCCCC3)c1 8209749 CRHKQRZMSCKZBI-UHFFFAOYSA-N 419.510 4.544 0 40 HJAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)C2=O)cc1 8643634 WNKYUTJMNJJUGK-RUZDIDTESA-N 418.493 4.500 0 40 HJAB COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc(C)c3)CC2=O)c1 8657351 METAOBFUIVQYMC-HXUWFJFHSA-N 411.505 4.922 0 40 HJAB Nn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccccc1Cl 8703862 NVRTZJUPFYVSEJ-UHFFFAOYSA-N 417.922 4.867 0 40 HJAB O=S(=O)(Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1)c1ccc(Cl)cc1 8762382 OXDVBDVOCLFKBD-UHFFFAOYSA-N 423.881 4.627 0 40 HJAB CCN1CCc2c(sc(NC(=O)c3cc(Cl)sc3Cl)c2C(=O)OC)C1 8793114 SCYSJECTANGSOP-UHFFFAOYSA-N 419.355 4.533 0 40 HJAB Cc1ccc(C)c(-c2nn([C@@H](C)C(=O)N3CCc4ccccc43)c(=O)c3ccccc23)c1 9366037 ZKUQOEYCHNVHOM-IBGZPJMESA-N 423.516 4.831 0 40 HJAB c1ccc2c(CSc3nnc(N4CCCCC4)n3C[C@H]3CCCO3)cccc2c1 12107669 KPLHIMATWALEDG-HXUWFJFHSA-N 408.571 4.893 0 40 HJAB Cc1nc(S[C@H](C)C(=O)c2ccc(Br)cc2)n(C[C@@H]2CCCO2)c1C 12603398 KZBYGVJVWHGZQE-PBHICJAKSA-N 423.376 4.805 0 40 HJAB Nc1nc(CN[C@@H](c2ccccc2)c2ccc(Cl)cc2)nc(Nc2ccccc2)n1 12607694 IDRQDLUXNDSRHK-NRFANRHFSA-N 416.916 4.730 0 40 HJAB O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 13074369 NDSJWLNBSTYICL-UHFFFAOYSA-N 420.412 4.759 0 40 HJAB COc1ccccc1-c1nnc(SCc2cc(Cl)c3c(c2)OCCCO3)n1C 14068922 AUHAJJHAVXUTPF-UHFFFAOYSA-N 417.918 4.598 0 40 HJAB C[C@H](c1ccco1)N(C(=O)CN1CCC(Cc2ccccc2)CC1)c1ccccn1 14093932 OSLPUQRNXSUNEZ-HXUWFJFHSA-N 403.526 4.724 0 40 HJAB Cc1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1NC(=O)c1ccco1 16489808 BTBDWJBISJNDCP-UHFFFAOYSA-N 404.253 4.982 0 40 HJAB CC[C@@]1(c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CCC(=O)NC1=O 16611458 MQPALEZAIOPFTL-FQEVSTJZSA-N 420.296 4.722 0 40 HJAB CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)cc4)nccn3n2)cc1 16841612 VTBYZPRAOGANHS-UHFFFAOYSA-N 402.523 4.998 0 40 HJAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(F)c4)nccn3n2)cc1 17051579 WEPNAIZRIAMMAG-UHFFFAOYSA-N 406.486 4.883 0 40 HJAB O=c1[nH]c(CSc2ncnc3sc(-c4ccccc4)cc23)nc2ccccc12 18043102 IFZGEOUBVGAOLZ-UHFFFAOYSA-N 402.504 4.887 0 40 HJAB CC1(C)CC2=NC(=O)C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2=C(O)C1 18219521 MGNFNSOBHGULMK-SNVBAGLBSA-N 414.811 4.917 0 40 HJAB CCc1nn2c(C)c(C(=O)Nc3cccc(Cl)c3)nnc2c1-c1ccc(OC)cc1 20672935 QGSIRCAPZMQXEC-UHFFFAOYSA-N 421.888 4.576 0 40 HJAB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccccc1 22513646 DGXXIJSVPQINDF-QFIPXVFZSA-N 422.550 4.985 0 40 HJAB O=C(COC(c1ccccc1)c1ccccc1)Nc1nc(-c2ccccn2)cs1 29256954 XNRIQWKXHBCMQL-UHFFFAOYSA-N 401.491 4.950 0 40 HJAB Oc1nncc(N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)c1Cl 30520145 UTNJNEMIWYIROC-UHFFFAOYSA-N 421.353 4.540 0 40 HJAB COc1ccccc1[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1nccn1C 32764549 GQBFXCQKDNCEFB-HXUWFJFHSA-N 418.324 4.574 0 40 HJAB C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1CN1CCOC1=S 37198785 CRCPGUJCIPLCNA-WMLDXEAASA-N 411.958 4.904 0 40 HJAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 40135084 MLMIMCZMCHOHMS-UHFFFAOYSA-N 419.264 4.883 0 40 HJAB O=C([C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC[C@@H]1c1ccsc1 46914538 QGZOJZOHDLBUKU-RHSMWYFYSA-N 409.477 4.742 0 40 HJAB CC(C)n1ncc2c(C(=O)NCC3(c4ccc(F)cc4)CC3)cc(-c3ccco3)nc21 48289193 YXANAPMHPWRLMF-UHFFFAOYSA-N 418.472 4.873 0 40 HJAB Cc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1NS(C)(=O)=O 48356396 YENPKJRNDLOCLW-UHFFFAOYSA-N 404.875 4.532 0 40 HJAB COc1ccc(OCCN(C)C(=O)Nc2c(C)cc(Br)cc2C)cc1 48465170 BIURVTUXBFHNQR-UHFFFAOYSA-N 407.308 4.617 0 40 HJAB CCOC(=O)c1c(NC(=O)C2CCCCC2)sc(C(=O)NC2CCCCC2)c1C 50934987 FJNRYOIDWKIYDE-UHFFFAOYSA-N 420.575 4.815 0 40 HJAB C[C@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 57015940 KIHKEBIYSKTKBZ-WMZHIEFXSA-N 420.582 4.822 0 40 HJAB CCCn1c(SCC(=O)Nc2cccc(Cl)c2C)nc2ccsc2c1=O 57425235 GPCZNBPKPIXVDM-UHFFFAOYSA-N 407.948 4.561 0 40 HJAB CN(C)CC1CCC2(CC1)CN(Cc1ccc(F)c(F)c1)Cc1ccccc1O2 57773378 LIXQAYPHZGWZDF-UHFFFAOYSA-N 400.513 4.850 0 40 HJAB CCOc1cc(/C=C/C(=O)c2cccnc2)ccc1OCCOc1ccc(F)cc1 58732783 BDVHJDDKLKCNPU-VZUCSPMQSA-N 407.441 4.973 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2cccc(C)c2C)o1 59176104 JNMQAJBJWHUOKW-UHFFFAOYSA-N 411.527 4.867 0 40 HJAB CN(C)[C@@H](CNC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1cccs1 62580828 TXWDBRGBWAWUCZ-GHTZIAJQSA-N 411.596 4.770 0 40 HJAB CC(C)CC(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3ccccc3)CC2)o1 72344935 KDKJKODGQWYKMP-OAQYLSRUSA-N 410.562 4.549 0 40 HJAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(CCCOc2cccc(C)c2)C1 72352258 LWMBGFAITSZZLM-SFHVURJKSA-N 408.567 4.828 0 40 HJAB CCOc1cc(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc23)c(C)cc1C 72414351 LEDYKKQQWAXCKI-UHFFFAOYSA-N 422.550 4.501 0 40 HJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219685020 INHGVLNJUIBJCQ-DYVFJYSZSA-N 404.304 4.635 0 40 HJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(OCC)cc1 222888225 OQBMUTVLFZCKAS-FGZHOGPDSA-N 406.555 4.654 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(N(C)C)cc1 222975185 PBCWRHUYGRIPPB-DHIUTWEWSA-N 419.598 4.711 0 40 HJAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCCC2)c1C 223004888 YBQJDXZDVDACFV-YADHBBJMSA-N 412.603 4.624 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 223215517 ATHBNWAPZDPUKP-QHCPKHFHSA-N 408.586 4.876 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 224705359 PSEPOXQRYOLWSK-QGZVFWFLSA-N 418.990 4.684 0 40 HJAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(N2CCOCC2)cc1 224981938 CXIXOPSBQYEZKR-UHFFFAOYSA-N 411.354 4.702 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225680141 MULBVOAPDZLBST-OAQYLSRUSA-N 400.478 4.704 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 225700028 FCTBVQMCEKWFJE-QFIPXVFZSA-N 412.599 4.560 0 40 HJAB Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 225919198 IACKDRPTASIGSB-KRWDZBQOSA-N 421.570 4.910 0 40 HJAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2ccccc2OC)o1 257256671 KMKRCEKRPLPHIY-FQEVSTJZSA-N 406.482 4.650 0 40 HJAB CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)CCc2ccc(F)cc2)C1 257265661 LZUFRJLTTJYHOL-KRWDZBQOSA-N 424.541 4.691 0 40 HJAB O=C(c1ccccc1F)N1CCC[C@@H](c2nc3ccc(-c4cccs4)cn3n2)C1 306126384 DUGUPGRIQPOWTD-MRXNPFEDSA-N 406.486 4.617 0 40 HJAB O=C(Cc1cccc2ccccc12)Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408533424 SENHELMSDXKKAV-UHFFFAOYSA-N 400.482 4.593 0 40 HJAB O=C(CNC(=O)c1ccc(COc2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1 408562917 SHNBZLFFFPYBNZ-UHFFFAOYSA-N 419.264 4.534 0 40 HJAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)Nc3ccc(OC)cc3)c12 409198691 CYCQUMYUGTZLGH-UHFFFAOYSA-N 404.388 4.596 0 40 HJAB CCOc1cc2c(cc1/C=C1/SC(=O)N(c3cccc(Cl)c3)C1=O)OCO2 409213857 UDEQHTACQKVQHT-REZTVBANSA-N 403.843 4.708 0 40 HJAB O=C(Nc1cccc(-c2nnc3n2CCC3)c1)N1CC2(CCCC2)c2c(F)cccc21 501975386 YADXZMKIUBPPNN-UHFFFAOYSA-N 417.488 4.894 0 40 HJAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1c(-c2ccccc2)nc2ncccn12 606422325 NNFNPSILGQTUIO-ZFWWWQNUSA-N 401.297 4.926 0 40 HJAB Cc1sc2ncn3c(SCC(=O)Nc4cccc5ccccc45)nnc3c2c1C 790037 VEECUBUEZOUUNS-UHFFFAOYSA-N 419.535 4.840 0 40 HJAB CCn1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccc(O)cc1 886718 YPVQKIILPHAVRG-HNNXBMFYSA-N 418.522 4.943 0 40 HJAB O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1ccccc1 917924 XNPFKOQDVIJHOJ-UHFFFAOYSA-N 407.417 4.554 0 40 HJAB COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)cc1OC 1088605 KZZATVYJHGDJSE-CYBMUJFWSA-N 417.527 4.708 0 40 HJAB OC1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Cl)cc4)nn23)CC1 1341277 UPORTIZYUTZLJU-UHFFFAOYSA-N 404.901 4.678 0 40 HJAB CCOc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2ccc(C)s2)cc1 1342170 NWDKFIMOZQIIFA-UHFFFAOYSA-N 400.544 4.551 0 40 HJAB CC(C)CCNC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 2372588 GNMZMVPADKCDNZ-UHFFFAOYSA-N 407.905 4.585 0 40 HJAB Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1-c1cccc(F)c1 2383925 WQAPZGYEXJYBPY-UHFFFAOYSA-N 404.445 4.785 0 40 HJAB COCCCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 2420146 UHGZWJXODPHOEZ-UHFFFAOYSA-N 400.548 4.663 0 40 HJAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)c1 2474947 VBDDXCZQKYSHHW-UHFFFAOYSA-N 404.289 4.535 0 40 HJAB aggregator CC(C)(C)c1ccc(NC(=O)COc2ncnc3ccc(Br)cc23)cc1 2636313 RQYOYZFDSJUNCR-UHFFFAOYSA-N 414.303 4.707 0 40 HJAB Cc1sc2ncn3nc(-c4ccc(Cn5cccn5)o4)nc3c2c1-c1ccccc1 2791847 WPJMAURYOCMSNE-UHFFFAOYSA-N 412.478 4.819 0 40 HJAB Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)Oc2ccccc2Cl)c1 3012724 OHRNEDGLQPGLQA-UHFFFAOYSA-N 401.871 4.668 0 40 HJAB COc1cc(C(C)=O)ccc1OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 5229403 FUZCFFOTMKUCPX-UHFFFAOYSA-N 413.489 4.777 0 40 HJAB COc1cccc(-c2nc3c(c(SCCN4CCCCC4)n2)COC(C)(C)C3)c1 5301837 OCPKKPRFGQFGRK-UHFFFAOYSA-N 413.587 4.582 0 40 HJAB CC(C)OC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)CCC(=O)O 5727531 IEBSIKNEONIWTR-UHFFFAOYSA-N 403.500 4.907 0 40 HJAB CCN(C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)c1nc2c(C)cccc2s1 5938554 JCRNNZXIGDTQHC-ZHACJKMWSA-N 412.511 4.697 0 40 HJAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(Cl)c1C 6316099 BLHIAGRUQOZOGJ-UHFFFAOYSA-N 404.713 4.610 0 40 HJAB CCN1C/C(=C\c2ccc(OC(F)F)cc2)c2nc3ccccc3c(C(=O)O)c2C1 6561185 UCUIBIWUXLFFGQ-RVDMUPIBSA-N 410.420 4.911 0 40 HJAB CCCCN1CN(CCc2ccc(OCC)c(OCC)c2)Cn2c1nc1ccccc12 6590326 HIROLCKGYBBABW-UHFFFAOYSA-N 422.573 4.914 0 40 HJAB CCc1ccc(NC(=O)COC(=O)COc2ccc(Nc3ccccc3)cc2)cc1 6619755 NJRDGAVZIOXIHF-UHFFFAOYSA-N 404.466 4.553 0 40 HJAB Cc1cc(C)cc(-n2c(SCC(=O)NC3CCCCC3)nc3ccccc3c2=O)c1 6886777 SAAIBTZPVDSGOY-UHFFFAOYSA-N 421.566 4.544 0 40 HJAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N(C)Cc1ccccc1 7160779 OOTQUUXVROAKHF-ZDUSSCGKSA-N 405.445 4.788 0 40 HJAB Cn1c(SCCOc2ccc(Br)cc2)nnc1-c1ccccc1F 7235714 AQDOIRYFKFRHAK-UHFFFAOYSA-N 408.296 4.555 0 40 HJAB CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C(C(=O)OC(C)C)=C(C)N2 7990967 NZTPJXGGQNNADT-OAHLLOKOSA-N 419.572 4.507 0 40 HJAB Cc1cc(-c2ccccc2)nc(SCC(=O)c2ccc(N3CCCC3=O)cc2)n1 7996055 AVCVYBGRGUVLGQ-UHFFFAOYSA-N 403.507 4.554 0 40 HJAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 8022334 ZRHVTRAQGGZNQG-HXUWFJFHSA-N 413.901 4.733 0 40 HJAB CCOc1ccc(SCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 8075433 WBIMFPRVOORJBE-UHFFFAOYSA-N 422.554 4.801 0 40 HJAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C)c(Cl)c3)C(=O)[C@@H]2C1 8472820 VGQDXOCMRYJHIH-SJLPKXTDSA-N 408.885 4.746 0 40 HJAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1ccc(C)cc1Cl 8604831 LHYVPUQSWDACFN-UHFFFAOYSA-N 413.879 4.590 0 40 HJAB O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1)c1ccc(Cl)cc1 9062076 YUPPERBIHHHOPQ-UHFFFAOYSA-N 418.840 4.895 0 40 HJAB CSc1ccc(-c2csc(NC(=O)C[C@@H](NC(C)=O)c3ccccc3)n2)cc1 9614166 AUADVNUSLRKWAV-GOSISDBHSA-N 411.552 4.738 0 40 HJAB COc1cc(SC)ccc1C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1 9698611 RKXYQPDVQFNMDU-UHFFFAOYSA-N 420.534 4.942 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 10009731 TXPGUXBUOKHDFN-UHFFFAOYSA-N 414.552 4.926 0 40 HJAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccn(Cc2cccc(Cl)c2)c1=O 10187804 WRKGUGIWNCSZCK-UHFFFAOYSA-N 424.781 4.960 0 40 HJAB O[C@H](COc1ccc2ccccc2c1)CSc1nnc2c(Cl)cc(Cl)cn12 10202619 OUQWOUYKRBCFJF-OAHLLOKOSA-N 420.321 4.721 0 40 HJAB COc1cc(C)c(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)cc1OC 11249858 LODNZCIQZOUYCU-UHFFFAOYSA-N 421.428 4.915 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 11923432 MLZJBTRMUVEAPR-UHFFFAOYSA-N 416.506 4.871 0 40 HJAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 12540959 ZRPDKEPPDCLXJB-HXUWFJFHSA-N 419.506 4.873 0 40 HJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC)O[C@H](C)C2 12565255 TZFYSLALCRFMIG-KGLIPLIRSA-N 418.921 4.818 0 40 HJAB COc1cccc(C(=O)c2c(C)c(CCc3ccccn3)n3ccccc23)c1OC 12601557 LMTRTACTZGZVHH-UHFFFAOYSA-N 400.478 4.676 0 40 HJAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1Br 13137292 RPMFSJMFGXVUAG-ZDUSSCGKSA-N 420.328 4.650 0 40 HJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 14637240 PQWMUIUHZOWCEB-UHFFFAOYSA-N 424.419 4.578 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1cccs1 19400601 MIDQHRPLLIVPRJ-PGRDOPGGSA-N 409.530 4.666 0 40 HJAB O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)NCc1ccc(C(=O)O)cc1 20151080 BCZNRQIZIVCIML-PKNBQFBNSA-N 415.367 4.993 0 40 HJAB CCc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1 20197146 HCKJKBGVPAOOGM-UHFFFAOYSA-N 401.919 4.915 0 40 HJAB O=C(Oc1cccc(Cl)c1Cl)c1ccc(CS(=O)(=O)c2ccccc2)o1 21286138 HGOZQUCWELNNRG-UHFFFAOYSA-N 411.262 4.780 0 40 HJAB C[C@H](C(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1)n1c(=O)oc2ccccc21 22232322 HJTSCSDGQHCWDW-CQSZACIVSA-N 410.857 4.728 0 40 HJAB Cc1cc(F)ccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 23970934 RDZZNNSPVVDQIK-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB c1ccc(-c2csc3ncnc(NC[C@@H](c4cccs4)N4CCOCC4)c23)cc1 24574708 QQQWNFPHUFTFMY-SFHVURJKSA-N 422.579 4.905 0 40 HJAB CCCCCc1nnc(NC(=O)COc2c(C)cc(Br)cc2C)s1 28284415 HTTWQNSFDJEOTC-UHFFFAOYSA-N 412.353 4.668 0 40 HJAB COc1ccc([C@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)N(C)C)cc1 28287541 AAPVZEBEKCXEHP-KRWDZBQOSA-N 402.947 4.904 0 40 HJAB CCN(CC)Cc1ccc(CNC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1 32863405 LHGSICPMVCQJQU-UHFFFAOYSA-N 407.480 4.889 0 40 HJAB CCc1cc2oc(=O)cc(COC(=O)c3[nH]c(C)c(C(C)=O)c3C)c2cc1Cl 39653337 KVTCIRKWRVPUHT-UHFFFAOYSA-N 401.846 4.513 0 40 HJAB O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)c2cccnc2Sc2ccccc2)C1 57994208 VAMKTMLWAYXBBW-GOSISDBHSA-N 423.582 4.534 0 40 HJAB Cc1sc2nc(-c3cccs3)nc(N3CCN(Cc4ccncc4)CC3)c2c1C 58171210 SCDJFFKAALFQKZ-UHFFFAOYSA-N 421.595 4.754 0 40 HJAB C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)Cn1ccc(C(F)(F)F)n1)C1CC1 58700968 YJEVLILKIGYBLX-NSHDSACASA-N 405.342 4.673 0 40 HJAB CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1ccccc1 59227047 PESAOTSUXJHCMB-HMMYKYKNSA-N 413.429 4.649 0 40 HJAB C[C@H]1C[C@H](OC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)C(=O)O1 72274738 NRAUGSZLFSDERV-SGTLLEGYSA-N 400.427 4.725 0 40 HJAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)c1 72359173 GCBLCDNZFBYLAO-OAQYLSRUSA-N 403.501 4.930 0 40 HJAB CCOC(=O)c1c(NS(=O)(=O)c2cc(C)c(C)cc2C)sc2c1CCCC2 72414567 HZQNZBXTVFYGFX-UHFFFAOYSA-N 407.557 4.530 0 40 HJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)Cc3ccccc3C)CC2)n1 100738847 OUAJCCIUKXRDRH-GRGXKFILSA-N 414.553 4.788 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]2(O)[C@H](C)OC(C)=O)C1 118917404 COXXOOWTEWCQRW-KTEFBCGZSA-N 420.590 4.644 0 40 HJAB CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)cc1 222842748 RZRURTJJTGZADI-VXKWHMMOSA-N 406.555 4.652 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 223240688 GIFWRHGKLPOBKN-SFHVURJKSA-N 416.562 4.642 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1C 223928709 OOSHWQNAWOFZSL-GOSISDBHSA-N 408.523 4.595 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224307989 HATXGERZQAHIHC-LJQANCHMSA-N 412.549 4.510 0 40 HJAB O=C(CSCc1cccc(Cl)c1)NCc1cccc(CN2CCCCC2)c1 224645389 YTUXNHWPJOCKJS-UHFFFAOYSA-N 402.991 4.876 0 40 HJAB CCCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 224815734 TUSBBWIHPIRHAY-XMMPIXPASA-N 406.570 4.794 0 40 HJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CC 225431682 IQXOKHLRHWSONT-NRFANRHFSA-N 400.950 4.606 0 40 HJAB O=C(NCCCOC1CCCCC1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225586265 CLSMREAUZJUWST-UHFFFAOYSA-N 410.961 4.547 0 40 HJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(OCC)c(OCC)c2)c1 225751102 ZYCCWTLSRDIFIO-HNNXBMFYSA-N 416.543 4.708 0 40 HJAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cn1 225863931 NEBAGFPUYNFFBL-UHFFFAOYSA-N 409.313 4.864 0 40 HJAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cn1 225877076 YPKMJMLMJDIYTP-UHFFFAOYSA-N 409.313 4.864 0 40 HJAB CN(Cc1ccccc1)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@H]1O 257211100 BXMQXSOIRFRAAB-QKDODKLFSA-N 400.566 4.713 0 40 HJAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4OC)OCC[C@@]31C2 257247645 IZXLZLKCVBOXHP-FVCXYBQASA-N 401.547 4.503 0 40 HJAB Cc1cc2ccccc2n1CCC(=O)N1CCCC[C@@H]1c1nnc(-c2ccccn2)o1 257297419 RHELFKPZJZQDEP-OAQYLSRUSA-N 415.497 4.539 0 40 HJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(OC)c(OC)cc3Cl)N21 260772351 NKQQZKHJKSDOBJ-DPMMWBKBSA-N 403.935 4.732 0 40 HJAB Cc1ccc(-c2nn(CC(=O)Nc3nc(-c4ccccc4)cs3)c(=S)o2)cc1 409164615 LAADTSOLSKVEOP-UHFFFAOYSA-N 408.508 4.943 0 40 HJAB Cc1ccc(-c2c(C)s/c(=N\C(=O)c3cccc(Br)c3)n2C)cc1 409206802 PZDVETGYBINBFX-VZCXRCSSSA-N 401.329 4.874 0 40 HJAB COc1ccc(CCNC(=O)N2CCC[C@H]2c2nc3ccccc3n2CC(C)C)cc1 524735513 HAIDFWTYOCEDMC-QHCPKHFHSA-N 420.557 4.790 0 40 HJAB CCOc1cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc(Cl)c1OC(C)C 623275 QKKQQVOGLCDAMW-WQRHYEAKSA-N 415.873 4.879 0 40 HJAB COC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2ccc(C)cc2)c1C 871977 AQFGDXJNFHMKAW-UHFFFAOYSA-N 408.479 4.656 0 40 HJAB O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1ccco1 1341685 MGYGTWOWYSUVES-JOCHJYFZSA-N 424.472 4.844 0 40 HJAB O=C1OCC2=C1[C@H](c1ccccc1Cl)CC(=O)N2c1cccc(C(F)(F)F)c1 1429529 CNIUXXDPNLKBKY-AWEZNQCLSA-N 407.775 4.690 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2cccc(C)c2C)sc2c1CC[C@@H](C)C2 1939966 YQOGLYUKEXAYKC-CYBMUJFWSA-N 401.528 4.684 0 40 HJAB CCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)ccc12 2149728 XADGCNMPDAJJQZ-KRWDZBQOSA-N 417.502 4.653 0 40 HJAB biogenic CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)s1 2704380 AZRUMCWSEAXNRQ-QGZVFWFLSA-N 403.463 4.518 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 3557712 ZKWNPBDZLFTQCH-UHFFFAOYSA-N 408.523 4.717 0 40 HJAB COc1ccc2cc(Cc3ccccc3)c(SCC(=O)NCc3ccco3)nc2c1 4857773 NAGHNFKNEBNTMV-UHFFFAOYSA-N 418.518 4.836 0 40 HJAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Cl)c2)n1 5157648 KZKFAAPIFUQNGD-FQEVSTJZSA-N 402.837 4.900 0 40 HJAB O[C@]1(C(F)(F)F)[C@@H]2CCc3ccccc3C2=NN1c1nc(-c2ccccc2)cs1 5275036 LIPWZSDAPDDIIE-UZLBHIALSA-N 415.440 4.848 0 40 HJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(-c2ccco2)nc2ccccc12 5936758 KVKOIZYBGIPTAE-UHFFFAOYSA-N 413.477 4.822 0 40 HJAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1ccccc1C(F)(F)F 5938482 XCAJDDYYAVRWJR-UHFFFAOYSA-N 412.411 4.930 0 40 HJAB Cc1cc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc(C)c1Br 7882197 OHKCLUMNIQHZOO-NVXWUHKLSA-N 415.331 4.614 0 40 HJAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)cc1 8475481 FHABWJVFIQFJEM-MRXNPFEDSA-N 414.461 4.976 0 40 HJAB Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccccc2F)N(Cc2ccco2)C3=O)c(O)c1 8606635 GCROJPVZWVPCKA-QHCPKHFHSA-N 417.440 4.877 0 40 HJAB aggregator O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1sc2ccccc2c1Cl 9662208 HSTASEWQVWIULK-UHFFFAOYSA-N 420.943 4.592 0 40 HJAB O=S(=O)(Cc1ccc(Cl)cc1)NCCSCc1c(Cl)cccc1Cl 9694945 QCNPPAVHPPPJAM-UHFFFAOYSA-N 424.802 5.000 0 40 HJAB CCc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 10363594 ADHJBAAUBDZUHF-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1cccc(Cl)c1 13757831 NZKIFBJQPKELTR-QHAWAJNXSA-N 422.843 4.530 0 40 HJAB COc1cccc(NC(=O)CSc2ccccc2C(=O)NC2CCCCCC2)c1 14239183 FEOPMFBROPDURY-UHFFFAOYSA-N 412.555 4.879 0 40 HJAB COc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)c(C)c2)cc1 15413303 DTFRYUUSCRADRQ-RUZDIDTESA-N 414.505 4.742 0 40 HJAB Cc1cccc(C)c1OC[C@H](O)Cn1c(COc2ccccc2)nc2ccccc21 16903155 JNKIDKMSQGTALD-HXUWFJFHSA-N 402.494 4.672 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2sc(-c3ccccn3)nc2C)c1 19561015 XXGJBNBITNIOHC-GOSISDBHSA-N 409.511 4.508 0 40 HJAB COc1ccccc1NC(=O)c1nnc2c(-c3cccc4ccccc34)cnn2c1C 19817185 MVSRZRPBJOHWFG-UHFFFAOYSA-N 409.449 4.514 0 40 HJAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccccc1-n1ccnc1 20495870 DTOCKUVFKPPFBQ-UHFFFAOYSA-N 406.338 4.729 0 40 HJAB O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1Cl 22040308 CDGOYYZUTAPECC-UHFFFAOYSA-N 419.956 4.686 0 40 HJAB Cc1ccccc1-c1ccc(N2CCC(C(=O)N3c4ccccc4C[C@H]3C)CC2)nn1 22493771 CTLUZUGOZRMCDL-LJQANCHMSA-N 412.537 4.646 0 40 HJAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCc1ccc(CN2CCCC2)cc1 25964775 ZAPFQWRESDXUTF-UHFFFAOYSA-N 413.587 4.567 0 40 HJAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nc4ccccc4n3C(F)F)ccc21 31782050 PAMUXXLBNSOPDU-GFCCVEGCSA-N 415.465 4.704 0 40 HJAB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)CSc2ccc(Cl)cc2)c1 32112063 XOPMLXAERGOFGW-UHFFFAOYSA-N 421.975 4.540 0 40 HJAB CC(=O)O[C@H](COc1ccc(Cl)cc1)CN(Cc1ccccc1)Cc1ccco1 32593450 IOZFHIIXZPSGNV-QHCPKHFHSA-N 413.901 4.946 0 40 HJAB CC(C)(C)c1ccc(O)c(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 32731848 XQEPQOXSLPUXSB-FMIVXFBMSA-N 406.526 4.580 0 40 HJAB O=C(Nc1nc(-c2ccccc2Cl)cs1)[C@H]1CCCN1C(=O)c1ccccc1 32759887 AQINGUKBNCNRLD-GOSISDBHSA-N 411.914 4.707 0 40 HJAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N(Cc1c(F)cccc1Cl)C1CC1 32880007 OJZLHCUNBLILNI-GOSISDBHSA-N 403.881 4.842 0 40 HJAB Cc1cccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)c1 39964025 HIBXGCTUDVNRKZ-QHCPKHFHSA-N 424.504 4.504 0 40 HJAB Cc1nn2c(nc(NCc3ccccc3CN3CCCC3=O)c3ccccc32)c1Cl 40067612 QFSBBEASOVSWOV-UHFFFAOYSA-N 419.916 4.579 0 40 HJAB COc1cc(C)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1OC 40129269 OKZVMNRVFDCCJN-UHFFFAOYSA-N 422.529 4.950 0 40 HJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)[C@@H](C#N)c1nc2ccccc2s1 41504705 GRAXGQHSRMTOOZ-OAHLLOKOSA-N 406.898 4.993 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3ccc(C)cc3)CC1)CC(C)(C)O2 44855521 RGTCKNQKUFYXNX-HSZRJFAPSA-N 422.569 4.634 0 40 HJAB O=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccc(Cl)cc1F 48374258 RMYRUMAZZQVMIG-UHFFFAOYSA-N 408.658 4.739 0 40 HJAB Cc1ccccc1COc1coc(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O 56949860 NQXZSSJKNOHLQZ-UHFFFAOYSA-N 424.928 4.503 0 40 HJAB COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2ccccc2OC)cc1 61719149 BYPDVZFDRJWZFK-UHFFFAOYSA-N 405.479 4.870 0 40 HJAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1nsc(Cl)c1Cl 72396248 QJKLLRWOOSYGFK-CYBMUJFWSA-N 407.326 4.502 0 40 HJAB Cc1cccc2sc(N3CC(OC(=O)c4csc(-c5ccccc5)n4)C3)nc12 77101433 SENJFURRAYGLQI-UHFFFAOYSA-N 407.520 4.774 0 40 HJAB CC(C)Cn1ncc(NC(=O)[C@@H](OCC(F)(F)F)c2ccccc2)c1C(F)F 89856653 FDLCLKPDTAHKCM-HNNXBMFYSA-N 405.367 4.735 0 40 HJAB C[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 97160000 IXGVCEDPHZCVNV-OAHLLOKOSA-N 409.873 4.685 0 40 HJAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 102093771 GTXOYGYFQVPDTR-LPYKTLRWSA-N 409.869 4.840 0 40 HJAB C[C@H](COc1ccc(Cl)cc1)NC(=O)c1ccc2c(c1)nnn2C1CCCCC1 141588124 XQTKCJKYAKOWHK-OAHLLOKOSA-N 412.921 4.787 0 40 HJAB Cc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)c1 165198769 VQLOROAYHVOSFU-UHFFFAOYSA-N 416.587 4.858 0 40 HJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 219304693 MOAFRXQUEWFMOJ-MRXNPFEDSA-N 413.905 4.741 0 40 HJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Br)ccc3OC)N21 222668917 AMINKMHMRLYVKD-DOPJRALCSA-N 418.360 4.832 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)cc1 223070863 ALDCGEHWTRHAQF-ZWKOTPCHSA-N 400.950 4.523 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1Cc1ccccn1 223557742 CRPYNZXINCRYPS-VXKWHMMOSA-N 403.555 4.566 0 40 HJAB O=C(NCCC1CCCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 223963501 GGVQMOAJNDPJNC-UHFFFAOYSA-N 418.534 4.717 0 40 HJAB Fc1ccc(CCCNC(=S)Nc2ccc(N3Cc4ccccc4C3)nc2)cc1 223969535 SWODLYCMTHQMHM-UHFFFAOYSA-N 406.530 4.660 0 40 HJAB Cc1ccc(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1C 224040407 WDPGOUABZNALHO-SFHVURJKSA-N 414.977 4.831 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1C 225041120 IHFWBWDPSSIJCG-XZOQPEGZSA-N 419.598 4.512 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(C)cc2)cc1 225085845 RXWPTJBZQUIIBJ-JVDNRXPZSA-N 420.534 4.713 0 40 HJAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2ccc(Cl)cc2F)CC1 225583069 JXFQWAPZPOKLGL-JOCHJYFZSA-N 400.925 4.885 0 40 HJAB CCOC(=O)c1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1Cl 225812556 OXEHQNQOJLJQJE-UHFFFAOYSA-N 401.768 4.553 0 40 HJAB CC(=O)Nc1ccc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(F)cc3)O2)cc1 257250679 JNNKBQDAAZIFHM-ZDXQCDESSA-N 412.505 4.908 0 40 HJAB CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(Cc4ccc(C(=O)O)cc4)C[C@H]3C[C@@H]21 257296773 REIMEYPPWOHJBX-LCKKVJLRSA-N 407.510 4.524 0 40 HJAB O=C(COc1ccccc1F)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257327143 XADKTQKVSSNQCX-FQEVSTJZSA-N 412.436 4.676 0 40 HJAB Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](c3ccsc3)c3cccs3)cc2)co1 390830604 MDSGFFSKIMUUFI-IBGZPJMESA-N 416.549 4.841 0 40 HJAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Br)cc2Cl)CC1=O 408644416 RCTKVXVDRWBIFX-TZMCWYRMSA-N 421.722 4.651 0 40 HJAB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2cc(C)cc(C)c2)c2ccccc2)cc1 408981952 WRHNNRRTLMGREH-QHCPKHFHSA-N 422.550 4.660 0 40 HJAB CC(C)CCC1=NN(C(=O)CSCc2ccccc2Cl)[C@@](O)(C(F)(F)F)C1 409180516 YXWBDUNKKBPNKI-KRWDZBQOSA-N 422.900 4.849 0 40 HJAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3sccc3C)C2=O)c(C)c1 409374314 MEXZEIRGKBDZDV-CXUHLZMHSA-N 400.525 4.657 0 40 HJAB CC(C)(C)c1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3cc[nH]n3)cs2)cc1 585273563 WQXHRZAUAHPDGU-LJQANCHMSA-N 409.559 4.753 0 40 HJAB O=C(O)c1ccc2c(c1)Cc1cccc(c1)CN(Cc1cncs1)CCCCCO2 643582976 BENASIUVZKQYEG-UHFFFAOYSA-N 422.550 4.997 0 40 HJAB COC(=O)C1=CC[C@H](NC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)C1 1528818463 QDOGZPBSSHESJZ-AWEZNQCLSA-N 405.878 4.622 0 40 HJAB O=C1C[C@@H]2CCN(CC3CCCC3)C[C@@H]2CCOc2ccc(-c3cccnc3)cc2N1 1534646087 BGORIAGXZHIELK-GMAHTHKFSA-N 419.569 4.988 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc(C(C)(C)C)cc2)sc2c1CCC2 633201 YTMIIHRVNCQLHO-UHFFFAOYSA-N 401.528 4.729 0 40 HJAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C(C)(C)C)cc2)N2C(=O)CCSC2=N1 702242 FKWKIGKJIMAZKW-FQEVSTJZSA-N 414.571 4.834 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3ncnn32)cc1OC 803095 UYHGBEIZHCDFHG-CVEARBPZSA-N 405.285 4.748 0 40 HJAB COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1oc(C(C)(C)C)cc1C 1361060 UMVIEUMWWMRESW-UHFFFAOYSA-N 412.530 4.600 0 40 HJAB CCCCCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21 2265141 KRHQRMBVIYBTBV-UHFFFAOYSA-N 407.543 4.739 0 40 HJAB Brc1ccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)cc1 2806751 SGOOWTRVMIJQKI-UHFFFAOYSA-N 421.254 4.879 0 40 HJAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1c(-c2ccccc2)noc1C 3424632 OMDMAAABZUFXKD-UHFFFAOYSA-N 411.889 4.713 0 40 HJAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1coc2ccccc2c1=O 4194686 BEKMPKHMZSVEGI-UHFFFAOYSA-N 403.821 4.930 0 40 HJAB O=C(Nc1ccc(N2CCOCC2)c(NC(=O)C2CCCCC2)c1)C1CCCCC1 4954461 MFQLOSMWMQKRRE-UHFFFAOYSA-N 413.562 4.561 0 40 HJAB CC(C)(C)NC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)C(C)(C)O2 4965749 VWAWCNCLUUDSOO-UHFFFAOYSA-N 418.896 4.712 0 40 HJAB CC(C)N(C(C)C)S(=O)(=O)c1ccccc1C(O)(c1ccccc1)c1ccccc1 5121177 JIQFESSHXUKDJU-UHFFFAOYSA-N 423.578 4.778 0 40 HJAB C[C@@H](c1nnc(SCCOc2ccc(F)cc2)n1-c1ccc(Cl)cc1)N(C)C 5280895 OJSBZTRWZUPNAR-AWEZNQCLSA-N 420.941 4.854 0 40 HJAB Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1N1CCCCC1=O 5329862 RBRSKUIGLMGHRP-UHFFFAOYSA-N 413.326 4.620 0 40 HJAB COc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1ccccc1Cl)CCCS3 5484582 QDQDOQZOWFAQPV-UHFFFAOYSA-N 411.914 4.557 0 40 HJAB Cc1ccccc1-c1nnc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)n1C 5505596 YLAWWZAFYPSMRY-FQEVSTJZSA-N 406.555 4.636 0 40 HJAB C[C@H](Nc1nc2ccccc2nc1NS(=O)(=O)c1cccs1)c1ccccc1 5557635 MGDNWBHLYUSOKL-AWEZNQCLSA-N 410.524 4.665 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@H](Sc1nc2ccccc2c(=O)[nH]1)c1ccccc1 5932439 ZBXGZRZTMDMPTC-LJQANCHMSA-N 405.454 4.534 0 40 HJAB CC(=O)c1ccc(O[C@H](C)C(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)cc1 6578552 RMJPBKBWSPLBAK-DZGCQCFKSA-N 416.930 4.834 0 40 HJAB COc1ccccc1[C@]1(CCN2CCN(c3ccccc3)CC2)CCOC(C)(C)C1 6673567 LIQNTKXMRJMMBS-AREMUKBSSA-N 408.586 4.734 0 40 HJAB CCOc1ccc(C(=O)CN(C2=NCCCCC2)c2cc(OC)ccc2OC)cc1 6870304 IRPOJBNNSPOOMQ-UHFFFAOYSA-N 410.514 4.764 0 40 HJAB Cc1ccc(-n2c(SCc3nnc(-c4ccccc4)o3)nnc2N2CCCC2)cc1 7256709 LIBYNSWRQRIZSF-UHFFFAOYSA-N 418.526 4.518 0 40 HJAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)Cc1noc2ccccc12 7865770 BACRHMMPNNDMDU-UHFFFAOYSA-N 413.426 4.644 0 40 HJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccccc1Cl 7912466 PUJBVVDIBCEZCB-HOTGVXAUSA-N 401.938 4.751 0 40 HJAB Cc1nc(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n(C2CCCCC2)c1C 8483871 GGADIVXOPWJBRG-UHFFFAOYSA-N 414.575 4.544 0 40 HJAB COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)cc1 8657324 UQCUBRVAKLLNER-GOSISDBHSA-N 415.468 4.753 0 40 HJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2cccc(C)c2C)CC1=O 8844976 COHXBAXJXYUIMG-FQEVSTJZSA-N 405.542 4.848 0 40 HJAB Cc1ccccc1C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 9569431 KPHJKZLPJXYOJB-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB O=C(COC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)Nc1cccc2ccccc12 10576494 KXCDWTVXTWOUTM-UHFFFAOYSA-N 407.425 4.847 0 40 HJAB C[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1-c1ccccc1 12978135 LTNXYFPLSMNSHK-GOSISDBHSA-N 400.478 4.886 0 40 HJAB C[C@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1Cl 12993626 HARWQBBJGPVJRT-LBPRGKRZSA-N 406.313 4.902 0 40 HJAB O=C(/C=C/c1ccccc1Br)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12994327 HFZGEVNQTSPPFJ-LNENJAERSA-N 414.299 4.597 0 40 HJAB C[C@@H](OC(=O)c1ccc(SCc2cscn2)cc1)c1nc2ccccc2c(=O)[nH]1 12996929 RHQKKRIDUVLRPD-CYBMUJFWSA-N 423.519 4.590 0 40 HJAB C[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccc2ccccc12 13006523 SGDWFSRGZPTAKM-GOSISDBHSA-N 401.510 4.961 0 40 HJAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)Cc3cccc(F)c3)cc2)n1 13228154 OZDRLWSRHFPNME-UHFFFAOYSA-N 412.468 4.512 0 40 HJAB CCCC[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 13750219 HKJYIXSCILEBFO-FHWLQOOXSA-N 419.308 4.862 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)N(C)CCOc2ccc(Cl)cc2)c1 14122039 MPHNAQOYMBPBAV-UHFFFAOYSA-N 414.889 4.675 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](c1ccco1)N1CCCC1 14233185 KIQLWFFSWDYZFI-INIZCTEOSA-N 417.868 4.602 0 40 HJAB CCOc1ccc(C(=O)NCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1OCC 15434836 FVHYEGBTRKSQJY-UHFFFAOYSA-N 418.493 4.520 0 40 HJAB Cc1ccc(C)c(NC(=O)c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2)c1 15883277 MYKNANSITBYYEC-UHFFFAOYSA-N 400.400 4.785 0 40 HJAB Cc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1S(=O)(=O)N(C)C 17179847 ISDYCASPAMSCIB-UHFFFAOYSA-N 418.522 4.599 0 40 HJAB CC1(C)CC2=NC(=O)C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2=C(O)C1 18219519 MGNFNSOBHGULMK-JTQLQIEISA-N 414.811 4.917 0 40 HJAB O=C(N[C@H](c1ccccn1)C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(F)c1 19400838 BGEFAILJKYOVOP-DEOSSOPVSA-N 421.491 4.743 0 40 HJAB CCN(C(=O)c1cnccn1)[C@H]1CCO[C@@H](c2ccccc2-c2cc(F)cc(F)c2)C1 19711903 UTCGQROEFLMMGN-WMZHIEFXSA-N 423.463 4.804 0 40 HJAB CCCCCCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OC(=O)[C@H](C)N 19791597 YUXBQSBMYGULLQ-AWEZNQCLSA-N 414.527 4.600 0 40 HJAB CCCCCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Br 19943266 SQHYAXRQQVJGFN-GJZGRUSLSA-N 418.397 4.685 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)C2CCCCC2)ccc1C 20495038 GCIPHVJPJHRODO-UHFFFAOYSA-N 400.544 4.509 0 40 HJAB CCOc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)cc1 24767523 ZGIYDCYBUVYRAX-PXNSSMCTSA-N 407.510 4.826 0 40 HJAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1C 25896820 JTYAATMYRGECRF-NRFANRHFSA-N 408.523 4.658 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 26556416 CCIIRQLNJBUTFQ-GOTSBHOMSA-N 422.525 4.570 0 40 HJAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)cc2Cl)cc1 28248821 MCXZGIYXCPVYGT-UHFFFAOYSA-N 423.325 4.622 0 40 HJAB Cc1oc2cc3oc(=O)c(CCC(=O)N4CCc5ccccc5C4)c(C)c3cc2c1C 30819219 BFBPTKIQTKNIJZ-UHFFFAOYSA-N 415.489 4.982 0 40 HJAB CCN(C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O)c1ccccc1C 32753804 OTBOSADCSZNTKW-UHFFFAOYSA-N 415.415 4.535 0 40 HJAB CN(Cc1c(F)cccc1Cl)C(=O)CSc1nc2ccccc2n1C(F)F 32850474 HVTZUDGHIURRSB-UHFFFAOYSA-N 413.852 4.975 0 40 HJAB Cc1nc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc(-n2ccnc2)n1 35598072 SBBQIXSZQRQPKG-UHFFFAOYSA-N 404.861 4.620 0 40 HJAB CCOc1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 38834360 VOBBNRSEUHDKOG-UHFFFAOYSA-N 417.347 4.699 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 44883526 ULKBXKPHFKZNSX-HNNXBMFYSA-N 407.919 4.863 0 40 HJAB Cc1ccc(OCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 44908891 VMTQITXHZRHUEX-UHFFFAOYSA-N 421.368 4.709 0 40 HJAB CCSc1ccccc1NC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 47858309 QLXKIFHCCHPITL-UHFFFAOYSA-N 411.571 4.544 0 40 HJAB Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)c1 57426014 KLQRJDLZLQXPAI-UHFFFAOYSA-N 401.557 4.543 0 40 HJAB Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(Cc1ccccc1Cl)C(=O)O3 57744302 IRPFQPYNIGSGMH-UHFFFAOYSA-N 404.857 4.897 0 40 HJAB COc1ccc(CN(Cc2ccncc2)Cc2cnn(Cc3ccccc3)c2C)cc1 57797055 YHSWXHRDUOCCJD-UHFFFAOYSA-N 412.537 4.846 0 40 HJAB CC(C)c1noc(CN2CCC3(CC2)C[C@@H]3c2nc(-c3cccc(Cl)c3)no2)n1 69655425 LSCXVPREFFZKDB-MRXNPFEDSA-N 413.909 4.666 0 40 HJAB O=C(c1cnccn1)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349207 GYIXLORPFVWJDT-INIZCTEOSA-N 412.415 4.577 0 40 HJAB O=C(Cc1ccccn1)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349499 UZDPVFSAZKSZDN-LJQANCHMSA-N 405.929 4.670 0 40 HJAB COc1c(C)cccc1C(=O)N1CCC[C@H]1c1cccc(Nc2nc(C)cc(C)n2)n1 72375700 BYKMDHRJCMSSTO-FQEVSTJZSA-N 417.513 4.526 0 40 HJAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2cccs2)cc1 85878846 CAWKBSGIRPOJTR-CQSZACIVSA-N 420.442 4.677 0 40 HJAB biogenic Cc1ncc(C(=O)N2CCC(OCc3ccccc3)CC2)c(Br)c1Cl 95444719 QKIXAQIBARJNIH-UHFFFAOYSA-N 423.738 4.627 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2c(F)cccc2Cl)S1 96117880 OOESTUNTUQANCJ-ZBEGNZNMSA-N 409.914 4.985 0 40 HJAB CCOc1ccc(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)cc1OCC 101014116 FTDRPWCFCXRNDO-MRXNPFEDSA-N 404.304 4.549 0 40 HJAB O=C(COc1ccccc1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 106890160 DEWQEASNMVBXHT-UHFFFAOYSA-N 420.534 4.574 0 40 HJAB CC(C)Oc1cccc(CNC(=O)CSCc2ccc(Br)cc2)c1 113933081 FDWPEFRIQZFYBY-UHFFFAOYSA-N 408.361 4.786 0 40 HJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3Cl)N21 222687304 NKQQZKHJKSDOBJ-YXKWSERDSA-N 403.935 4.732 0 40 HJAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(Cl)c1Cl 223177459 JOOOADBPOBWHOX-NSHDSACASA-N 400.327 4.530 0 40 HJAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)s2)cc1 224043075 LFVNEWYHMXDPOP-CYBMUJFWSA-N 417.918 4.890 0 40 HJAB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224509961 RHWKFLSYWKXNOO-JOCHJYFZSA-N 422.613 4.975 0 40 HJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)[nH]1 224514610 UDPPFJCEZRJEDP-QZTJIDSGSA-N 413.344 4.658 0 40 HJAB Cc1cccc(C(C)C)c1N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O 224857362 AMMKZDKLGCONHF-UHFFFAOYSA-N 424.651 4.996 0 40 HJAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224873491 IGJKCQPEZWJYRV-NRFANRHFSA-N 400.950 4.605 0 40 HJAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)N[C@H](C)CCc2ccccc2)n1 225205111 CMEBKEGOJJBWNW-OAHLLOKOSA-N 409.534 4.975 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=S)NCCSc2ccc(Cl)cc2)c1 225288372 PORYEMMAWYTTLP-UHFFFAOYSA-N 415.367 4.859 0 40 HJAB CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1Cl 225310275 UYGQFEIKSWLLGO-UHFFFAOYSA-N 406.269 4.714 0 40 HJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225467578 AHMQNZFYKMHEED-FQEVSTJZSA-N 408.586 4.859 0 40 HJAB C[C@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccc(Cl)cc2)n1 225936090 YKPFCIBMIZVSEJ-LBPRGKRZSA-N 410.374 4.649 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2Cl)cc1 408543497 DUQDSVVZBVHXBO-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CS(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1cccc(Cl)c1Cl 408908745 YMGZLXPUOQYTNN-UHFFFAOYSA-N 423.321 4.551 0 40 HJAB O=C(Nc1c(C(=O)Nc2ccc(F)cc2)cnn1-c1ccccc1)c1cccc(F)c1 752795 PODJONBJRKDNBR-UHFFFAOYSA-N 418.403 4.655 0 40 HJAB O=C(Nc1ccc(C(=O)Oc2ccccc2)c(O)c1)c1ccc(Br)cc1 846607 FTJHBYCRSCRTDF-UHFFFAOYSA-N 412.239 4.626 0 40 HJAB O=C(CSc1nnc(-c2cccnc2)o1)Nc1c(Cl)cc(Cl)cc1Cl 856396 UZWPLPFRLYFENJ-UHFFFAOYSA-N 415.689 4.823 0 40 HJAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)c2ccco2)cc1 1224385 NNIIHUJECJVBPS-UHFFFAOYSA-N 417.490 4.871 0 40 HJAB O=C(CCC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl 1858900 WKWILKXNFLVJEJ-UHFFFAOYSA-N 414.672 4.792 0 40 HJAB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccc2c(c1)OCCO2 2184322 RKXIFZMHYQVZEL-UHFFFAOYSA-N 418.927 4.966 0 40 HJAB CCCCCCOC(=O)c1c(N)n(CCCOC(C)C)c2nc3ccccc3nc12 2207197 KLWOFBMFVKOKBZ-UHFFFAOYSA-N 412.534 4.719 0 40 HJAB CCOP(=O)(OCC)[C@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl 2311294 HQPDYNAMPWZGEZ-LBPRGKRZSA-N 406.605 4.518 0 40 HJAB CC(=O)Nc1sc2c(c1C(=O)OCCCC(=O)c1ccc(F)cc1)CCCC2 2644169 UWVHOTXTMWVFGT-UHFFFAOYSA-N 403.475 4.544 0 40 HJAB COc1cc2c(cc1OC)[C@@H](COc1ccc(C(C)C)cc1)N(C(=O)C1CC1)CC2 2980256 WTHRMLJGWQCIBB-JOCHJYFZSA-N 409.526 4.742 0 40 HJAB CCOc1ncccc1C(=O)Nc1nc(-c2cc(C)n(Cc3ccco3)c2C)cs1 3429792 QQTPVGQGQVKUPB-UHFFFAOYSA-N 422.510 4.916 0 40 HJAB C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(=O)Nc1ccccc1 3465950 QIEFUDYAEBRNEK-HNNXBMFYSA-N 419.481 4.644 0 40 HJAB CN1C/C(=C\c2cccc(Br)c2)c2nc3ccccc3c(C(=O)O)c2C1 3885061 SXYHJHKRCVVOER-NTEUORMPSA-N 409.283 4.682 0 40 HJAB CCCCSc1nc2c(c(=O)n1-c1ccc(OC(F)(F)F)cc1)SCC2 4358878 IWRQQDCDUVNAMS-UHFFFAOYSA-N 402.463 4.672 0 40 HJAB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)NCc1ccco1 4549092 IVQIFQOIKLUWLI-UHFFFAOYSA-N 416.934 4.715 0 40 HJAB COc1cccc(NC(=S)N2CCC[C@@H](c3nc4cc(Cl)ccc4[nH]3)C2)c1 4858960 SDDRZYMWTPVADI-CYBMUJFWSA-N 400.935 4.801 0 40 HJAB COc1ccc(CCC(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CSC3)cc1 5077865 WYCUGSZLTOTYGS-UHFFFAOYSA-N 407.539 4.816 0 40 HJAB COc1ccc(CC(=O)Nc2ccc(-c3cn4c(C)csc4n3)cc2)cc1OC 5083771 JQGLLDIOWOIDES-UHFFFAOYSA-N 407.495 4.570 0 40 HJAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 5253472 ZYDQKCMGLCHIGY-RDPSFJRHSA-N 400.434 4.666 0 40 HJAB CC1(C)O[C@@](C)(CN2CCCC2)CC[C@H]1NC(=O)C(c1ccccc1)c1ccccc1 5432559 PJBOSXAOCVTWGX-YIXXDRMTSA-N 420.597 4.747 0 40 HJAB CCc1c(C)sc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1C(=O)OC(C)C 5477132 RVLGSYNFEAVSFW-PKNBQFBNSA-N 417.527 4.853 0 40 HJAB COc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 5478711 WIZUOTJXQZRQDL-UHFFFAOYSA-N 416.506 4.674 0 40 HJAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)c(OC)c1 6642140 OPSSSWJBIKGPHY-QDZLFNKNSA-N 421.537 4.612 0 40 HJAB biogenic COc1cc(CCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc(OC)c1 7056165 HIIQZRXLSPKNOK-UHFFFAOYSA-N 407.495 4.651 0 40 HJAB COc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc4c(c3)CCC4)o2)c(OC)c1 8128433 CPVCFEZSJZTJMS-CYBMUJFWSA-N 410.495 4.606 0 40 HJAB Clc1ccccc1OCc1nnc(SC[C@H]2CCCO2)n1-c1ccccc1 8132152 MVHNZSFSSCKPJL-MRXNPFEDSA-N 401.919 4.771 0 40 HJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 8481071 MXVDFIVHYXBODM-NRFANRHFSA-N 406.457 4.552 0 40 HJAB Nc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)c2nc3ccccc3s2)cc1 8652976 SKQMTVAPBZOAHA-WOJGMQOQSA-N 415.474 4.535 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)c1C 8810653 AEWUOWPEXZQFLU-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB CCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc1 8810661 LJTPHYAHWXTSKN-UHFFFAOYSA-N 416.449 4.580 0 40 HJAB COc1ccc([C@@H]2CCCN2CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)cc1 10053761 YLGYJELUHPWSDE-VWLOTQADSA-N 418.537 4.653 0 40 HJAB CCOc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)sc2c1 10381584 UNKXFYXHWAVYOF-UHFFFAOYSA-N 424.501 4.768 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1Cl 12737623 SWNMHXHMJAZEGN-UHFFFAOYSA-N 404.854 4.538 0 40 HJAB CC(C)CC(=O)Nc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 12782047 OBZOHUXMGRGZLP-UHFFFAOYSA-N 402.498 4.987 0 40 HJAB Cn1ccnc1C(=O)c1ccc(NC(=O)CCc2ccc(-c3ccccc3F)o2)cc1 12798436 JWBSIIYQHAXWDM-UHFFFAOYSA-N 417.440 4.622 0 40 HJAB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 12811780 YBSXZHWGYQDEGQ-OAHLLOKOSA-N 409.515 4.700 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Cl)C2)c2ccccc12 12978029 IGTYFLQBDIEDOB-MRXNPFEDSA-N 422.912 4.993 0 40 HJAB C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(C(=O)CCC2CCCC2)CC1 13018996 ZVAGLILCRKGWTJ-MRXNPFEDSA-N 416.953 4.566 0 40 HJAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 14242558 PXXUTBFATDWOJH-UHFFFAOYSA-N 424.953 4.591 0 40 HJAB COc1ccccc1CNC(=O)Cn1c(SCc2ccccc2)nc2ccccc21 15978047 URJRCLNBAQAWQC-UHFFFAOYSA-N 417.534 4.654 0 40 HJAB COc1ccc(-c2nc(NC(=O)c3ccccc3OC[C@H]3CCCO3)sc2C)cc1 16468556 GFTGCROGRATIDI-GOSISDBHSA-N 424.522 4.937 0 40 HJAB C[C@H](NC(=O)CSc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccccc1 16576882 ODNBLEFEKWNGEY-AWEZNQCLSA-N 422.531 4.886 0 40 HJAB CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 16690102 JXOOTDTXDUCOPV-AHIWAGSCSA-N 404.967 4.780 0 40 HJAB O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCCN(C[C@H]2CC=CCC2)C1 19370354 HVAAQCQXBXDJRA-JCYRPKCISA-N 403.570 4.550 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccccc2)C1 19449546 OZMXHMRKLBHNRJ-HHHXNRCGSA-N 413.565 4.708 0 40 HJAB Cc1cc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc(C(=O)O)c1O 20140268 XYCJBISGXIKOHZ-UHFFFAOYSA-N 405.328 4.930 0 40 HJAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 21273166 DEGQLRLOWLTDLB-UHFFFAOYSA-N 424.503 4.744 0 40 HJAB CCOc1ccc(CCC2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)cc1 24050768 LSLPHKCESCKHHB-UHFFFAOYSA-N 403.526 4.756 0 40 HJAB O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCC[C@@H]1c1ccc(F)cc1 25325960 FGXBZXGABJFNBX-HSZRJFAPSA-N 413.452 4.502 0 40 HJAB CC(=O)O/C(C)=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 25547805 IYHMGYUYUFEWDP-VPDHJTRPSA-N 416.558 4.977 0 40 HJAB CC[C@@H]1c2ccsc2CCN1CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 32784168 GQLQRMILJAIZBK-WIVVBHTDSA-N 403.592 4.542 0 40 HJAB COc1cc(CNC(=O)c2cc(C)n(C3CCCCC3)c2C)cc(OC)c1OC 32850724 NADYFLKNWWJYAW-UHFFFAOYSA-N 400.519 4.566 0 40 HJAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCCCCCC1 32968980 PAYNMRKTJGGHMU-QGZVFWFLSA-N 417.402 4.638 0 40 HJAB COc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccc(F)cc3)n2)cc1 33325051 LDENPSJEPGTCOH-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB Cn1c(C(F)(F)F)nc2cc(NC(=O)c3n[nH]c4c3C[C@H](C(C)(C)C)CC4)ccc21 35316700 VLXQGYONSSSPSQ-LLVKDONJSA-N 419.451 4.719 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 39766832 NVOVXRNPFNCDRM-UHFFFAOYSA-N 408.542 4.803 0 40 HJAB CC[C@@H](C(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 40108862 XQEKIXIXPGJZGO-OAQYLSRUSA-N 408.523 4.928 0 40 HJAB Cc1nc2nc3ccn([C@H]4CCC[C@H](C)[C@@H]4C)c(=O)c3c(-c3ccc(F)cc3)n2n1 40398552 GQUFVIMCKZPHRD-NJSLBKSFSA-N 405.477 4.551 0 40 HJAB COc1ccc([C@@H](CC(C)C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 44902561 DOBXWJUQYCNEEU-OAQYLSRUSA-N 402.494 4.712 0 40 HJAB CC(C)NC(=O)c1ccc(Cl)c(NC(=O)COc2ccccc2C(F)(F)F)c1 47407235 LXFZYCBZEUWSSL-UHFFFAOYSA-N 414.811 4.515 0 40 HJAB Cc1c(N(Cc2cccc(F)c2)Cc2cccc(F)c2)c(=O)n(-c2ccccc2)n1C 58401396 NDXHTDRJBXUPLF-UHFFFAOYSA-N 419.475 4.969 0 40 HJAB O=C(Nc1ccncc1)c1cccc(NC(=O)c2c3c(nc4ccccc24)CCC3)c1 70012974 XFFCGNJGKUZUEY-UHFFFAOYSA-N 408.461 4.623 0 40 HJAB O=C(O)C[C@H](O)C[C@H](O)/C=C\c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 72187789 VGYFMXBACGZSIL-DBBWNDPISA-N 421.468 4.518 0 40 HJAB in-vitro COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3ccc4[nH]ccc4c3)C2)cc1 72346265 MGASDUBDTOFMPG-FQEVSTJZSA-N 413.525 4.595 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(Cc4cccc(C)c4)n3)C2)cc1 72349570 CZMFOZZFJJNTSH-HSZRJFAPSA-N 414.549 4.938 0 40 HJAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77177442 VZBRPWKXDQVNEC-OAHLLOKOSA-N 420.513 4.774 0 40 HJAB Cc1cc(C)c2c(c1)[C@H](NC(=O)COc1ccc(Oc3ccccn3)cc1)CCO2 89582667 AZDYKAFXQARLKU-OAQYLSRUSA-N 404.466 4.510 0 40 HJAB Cc1ncc(CN2CCCCCC2)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc12 95474645 XIYAXNFIVYACQV-UHFFFAOYSA-N 406.482 4.514 0 40 HJAB Cc1cc(C(=O)NC[C@H]2CC[C@H](c3nc(C(C)C)ncc3-c3cc(C)no3)CC2)on1 100743836 YZSUMIXVOWEWSU-CALCHBBNSA-N 423.517 4.564 0 40 HJAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccc3c(c2)OCCO3)C[C@@H](c2cccs2)C1 102750984 OULKSYCWRVBARL-BLVKFPJESA-N 422.466 4.531 0 40 HJAB O=C1O[C@]2(CCCN(C(=O)NC(c3ccccc3)c3ccccc3)C2)c2ccccc21 206770601 OENARMBWWMQPOS-SANMLTNESA-N 412.489 4.647 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 223643625 VEQOXVYHZRERJS-QHCPKHFHSA-N 424.585 4.714 0 40 HJAB CCCC[C@H](CC)CNC(=O)CCCN(c1c(CC)cccc1CC)S(C)(=O)=O 224827315 QATGFJPCCMSTID-IBGZPJMESA-N 424.651 4.690 0 40 HJAB CC(C)n1c(=O)sc2cc(NC(=O)Cc3cccc(Br)c3)ccc21 225183460 INHJHPVUFPDREG-UHFFFAOYSA-N 405.317 4.588 0 40 HJAB c1csc(CCNc2nc(NCc3ccc4c(c3)OCO4)nc3ccccc23)c1 227116953 NIJBSWCADPSCJP-UHFFFAOYSA-N 404.495 4.687 0 40 HJAB Cc1nccn1-c1ccc([C@H]2C[C@@](C)(NC(=O)C(C)C)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1 257209782 BRWDIAUPVNKQLI-ASNHTKRHSA-N 409.574 4.978 0 40 HJAB Cc1nccn1Cc1cccc(C(=O)N2CCC[C@H]2c2ccnc(-c3ccccc3)n2)c1 257261388 LHCBPTHMRIBIQJ-DEOSSOPVSA-N 423.520 4.674 0 40 HJAB O=C(c1ccsc1)N1C[C@]2(CCN(Cc3ccc(Cl)cc3)C2)c2ncccc21 306133814 MWZUCQGTFQYNSJ-JOCHJYFZSA-N 409.942 4.601 0 40 HJAB O=C(C(=O)N1CCCCC1)c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 408575414 WEOWJQZZHHCWRA-UHFFFAOYSA-N 410.901 4.569 0 40 HJAB Cc1nc([C@]2(O)CCCN(Cc3ccccc3)CC2)sc1CCOc1ccccc1 607854108 FVGDJMBZTAEHFB-VWLOTQADSA-N 422.594 4.947 0 40 HJAB C[C@H]1Oc2ccccc2CCCCC2(CCN(Cc3cccc(F)c3)CC2)CNC1=O 643563801 WZKAYZHDPCOPJE-HXUWFJFHSA-N 424.560 4.718 0 40 HJAB Cc1ccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)cc1 643570425 FRWGNHKJNJAXGB-UHFFFAOYSA-N 421.537 4.566 0 40 HJAB CC(C)c1ccc(C[C@]2(C)Cc3cc(CCC(=O)N4CCC(O)CC4)ccc3O2)cc1 2037875173 KWUUVZJKWYVZCX-HHHXNRCGSA-N 421.581 4.662 0 40 HJAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1C 655259 FCJZGOBNJMQPJC-GOSISDBHSA-N 404.297 4.911 0 40 HJAB Cc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)c1 835241 ULQIFWUFOPUREV-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB O=C(CSc1nnc(-c2cc3ccccc3cc2O)o1)Nc1ccc(Cl)cc1 862979 NYBWKVULHKLDOA-UHFFFAOYSA-N 411.870 4.980 0 40 HJAB COc1ccccc1Oc1coc2cc(OC(=O)c3ccccc3F)ccc2c1=O 1105778 CEBFOVGUZUZRBQ-UHFFFAOYSA-N 406.365 4.952 0 40 HJAB biogenic COc1ccccc1NC(=S)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 1224152 NEOYSHFFOZAQNJ-UHFFFAOYSA-N 421.566 4.987 0 40 HJAB CCCc1nc2ccccc2c(=O)n1-c1cc(Br)ccc1Br 2325364 UJOYVFBNWYIRDH-UHFFFAOYSA-N 422.120 4.863 0 40 HJAB COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1 2508648 IXDPNCWLSMFJMU-UHFFFAOYSA-N 422.535 4.735 0 40 HJAB O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)Nc1cccc(F)c1 2655211 RBXPPCJUQBEVFR-UHFFFAOYSA-N 412.467 4.959 0 40 HJAB O=C(NCc1ccccc1Cl)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 3012865 JBLSBWGLXZEMBZ-ZBFHGGJFSA-N 424.810 4.720 0 40 HJAB Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1Cc1ccco1 3428862 BEOYDDCQQQAGNS-UHFFFAOYSA-N 407.495 4.695 0 40 HJAB COc1ccc([C@H](Br)[C@H](Br)C(=O)OC2CCCCC2)cc1 4481690 CJEOMHXPSQNGGJ-GJZGRUSLSA-N 420.141 4.771 0 40 HJAB CC(C)N(C(=O)CSc1nnc(C2CCCCC2)n1-n1cccc1)c1ccccc1 4518686 LZXUMXTWJMWEFZ-UHFFFAOYSA-N 423.586 4.972 0 40 HJAB Cc1ccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)cc1 4859195 HCSINILGFPKRKB-UHFFFAOYSA-N 421.566 4.578 0 40 HJAB CC(C)n1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nc2ccccc2c1=O 4948258 JIGHVAAZEYTOBP-UHFFFAOYSA-N 423.582 4.897 0 40 HJAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 4981653 JUFWQTPOLGKAOF-DEOSSOPVSA-N 411.505 4.722 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 5043612 BSYFURNMUXGBOZ-DFHBCGBQSA-N 416.403 4.728 0 40 HJAB O=C(CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)NCc1ccco1 5255743 QPBUHVOMLJGPLV-UHFFFAOYSA-N 401.538 4.868 0 40 HJAB Cc1nnc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)n1-c1ccccc1 6109162 FFYIWRRVJKCMND-HNNXBMFYSA-N 410.568 4.585 0 40 HJAB COc1ccc(Cc2c(-c3ccccc3O)nc3ncnn3c2-c2ccccc2)cc1 6230412 ZUFSWWDQWUMNIQ-UHFFFAOYSA-N 408.461 4.763 0 40 HJAB COc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 6314305 YCEKFZBBCADFEB-UHFFFAOYSA-N 417.494 4.764 0 40 HJAB CCNC(=O)CNc1nc(CSc2ccc(Cl)cc2)nc2sc(C)c(C)c12 6654220 RDZYTQPFXPYVAJ-UHFFFAOYSA-N 420.991 4.802 0 40 HJAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OCc4ccccc4)c2)N3)C1 6857685 SXXWAQLEOGYOSO-OAQYLSRUSA-N 405.523 4.744 0 40 HJAB Cc1cccc(-c2noc([C@@H]3CCCN3S(=O)(=O)c3ccc4ccccc4c3)n2)c1 7669684 SVVXTJBUMNWXAZ-NRFANRHFSA-N 419.506 4.724 0 40 HJAB CCOc1ccccc1N1CCN(C(=O)CCC(=O)c2ccc3ccccc3c2)CC1 7847472 ROBIXHDCIKFAOE-UHFFFAOYSA-N 416.521 4.550 0 40 HJAB O=C1CCCN1c1ccc(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc1 8405912 UAGYKDVAXBANKA-HXUWFJFHSA-N 419.550 4.719 0 40 HJAB C[C@@H](NC(=O)CSc1nnc(-c2ccco2)o1)c1ccc(-c2ccccc2)cc1 8428608 QRVLBAQGOBXQGK-OAHLLOKOSA-N 405.479 4.966 0 40 HJAB COc1ccc2c(C)c(CC(=O)Nc3ccc(Cl)cc3Cl)c(=O)oc2c1OC 9429737 MNSQQXJRFJDYPP-UHFFFAOYSA-N 422.264 4.607 0 40 HJAB CCn1c(SCC(=O)Nc2ccccc2O)nnc1-c1ccc(Cl)cc1Cl 9615066 RCDVFVMVFXPCQR-UHFFFAOYSA-N 423.325 4.708 0 40 HJAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N[C@H](C)CCc1ccccc1 10333881 ODAYRQWJMHLNKP-GOSISDBHSA-N 422.550 4.547 0 40 HJAB CCOc1cc(CN(C(=S)NC2CCCC2)C2Cc3ccccc3C2)ccc1O 10493864 BOBIFHVXBIADQW-UHFFFAOYSA-N 410.583 4.577 0 40 HJAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccc(C)cc1 11811937 XBUBXKDBVKIERO-FQEVSTJZSA-N 418.522 4.806 0 40 HJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3ccccn3)cc2N1 12182368 IFBWRYALKPYCER-CGTJXYLNSA-N 421.467 4.589 0 40 HJAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)Cc2ccc(F)cc2Cl)C1 12238587 JGPZTXAJWXEOQA-IBGZPJMESA-N 424.907 4.704 0 40 HJAB O=C(CCCn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1ccc(F)c(Cl)c1 12440871 HGWKVUVGBZCZQL-UHFFFAOYSA-N 420.271 4.775 0 40 HJAB CCN(Cc1ccc2c(c1)OCO2)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 12803646 VSSVATKFPVWZFE-UHFFFAOYSA-N 405.376 4.506 0 40 HJAB Cc1ccc(NC(=O)COC(=O)/C=C/c2cc(C)n(Cc3ccco3)c2C)c(C)c1 13038844 GAHCLRZDTCCCJE-CSKARUKUSA-N 406.482 4.558 0 40 HJAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 14184628 CJHXUZLVWWOKCK-UHFFFAOYSA-N 419.283 4.615 0 40 HJAB Cc1cccn2c(NC(=O)c3cnc4c(cnn4C(C)C)c3)c(-c3ccccc3)nc12 14712019 BXWYRZGIFCTMPX-UHFFFAOYSA-N 410.481 4.888 0 40 HJAB COc1cc(OC)c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1Cl 14716921 GWASWLCCSPIUTR-UHFFFAOYSA-N 405.809 4.921 0 40 HJAB Cc1cc(C(=O)N2CCC[C@@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c34)C2)on1 19119779 LWORVFXDWACDIY-GFCCVEGCSA-N 422.407 4.681 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)Cn3nc(C)c(C)c3C)CC2)n1 19691166 RHESTSDSWMMXQH-UHFFFAOYSA-N 420.532 4.724 0 40 HJAB Cc1ccc2nc(Nc3nc(C)c(Cc4ccc(Cl)cc4)c(=O)[nH]3)nc(C)c2c1 20673296 NGSVQKVVUOTZSB-UHFFFAOYSA-N 405.889 4.626 0 40 HJAB O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1cc(F)c(Cl)cc1Cl 21631327 LEBNIOPAVIGNMF-UHFFFAOYSA-N 409.166 4.677 0 40 HJAB C[C@@H](Oc1ccccc1)c1nc2ccccc2n1C[C@@H](O)COCc1cccs1 22081423 XBVOBIKFYNGXKR-QZTJIDSGSA-N 408.523 4.816 0 40 HJAB C[C@@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)NCCc1ccccc1 22189161 VQSMVQZDARRSRK-MRXNPFEDSA-N 403.507 4.729 0 40 HJAB CCOc1cc(CN(C(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)C2CC2)ccc1OC(F)F 24135926 ZIUVLRXADYODKZ-SJPCQFCGSA-N 421.484 4.573 0 40 HJAB COC(=O)c1cccc2c1CCCN2C(=O)c1c(C)oc2c(F)c(F)c(F)c(F)c12 25192898 ZDXLTFCYUYSFNN-UHFFFAOYSA-N 421.346 4.677 0 40 HJAB COc1ccc([C@@H]2Cc3cc(OC)c(OC)cc3[C@@H](c3ccccc3)N2)cc1OC 31795243 CKZCETURDAJQBM-NBGIEHNGSA-N 405.494 4.697 0 40 HJAB CC(C)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2c(Cl)cccc21 32087562 BMVXAXPDLOEITC-NRFANRHFSA-N 400.910 4.572 0 40 HJAB CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2nc3cc(Cl)ccc3s2)cc1 32170784 XUGMIGCEVQCRIQ-LBPRGKRZSA-N 418.971 4.992 0 40 HJAB O=S(=O)(Nc1cnn(Cc2cccc(Cl)c2)c1)c1cc(Cl)ccc1Cl 32610534 GUDRJFQPECTUEZ-UHFFFAOYSA-N 416.717 4.692 0 40 HJAB CCN(C(=O)CSc1nnc(-c2ccccc2)n1C(C)C)c1ccc(OC)cc1 32611791 MQWCJMKNVZEBLI-UHFFFAOYSA-N 410.543 4.680 0 40 HJAB CC(=O)c1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F 36616550 BVQFOEHOSQNLNZ-UHFFFAOYSA-N 414.440 4.892 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc(Cl)s2)cc1OC 40039805 ZNNKTOCNSPAXGL-CQSZACIVSA-N 407.919 4.745 0 40 HJAB O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc(SCc2cccnc2)cc1 40104334 YFIZUIWAMAAPEM-OAQYLSRUSA-N 422.554 4.926 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2cccc(C)c2)CC1 44855661 MSCSMKNBPYHTDM-HSZRJFAPSA-N 422.569 4.634 0 40 HJAB CCCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccs1 44973560 XHPQOORISJBZGV-OAHLLOKOSA-N 400.573 4.823 0 40 HJAB Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)cc(-c2ccccn2)n1 49007146 DLZAMIOCNVBWKY-UHFFFAOYSA-N 404.417 4.597 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccccc2CC)nc2ccsc2c1=O 57426372 RADBKMKJXUANDG-UHFFFAOYSA-N 401.557 4.551 0 40 HJAB COc1ccc(CNCC2=Cc3cc(Cl)cc(Cl)c3OC2)c(OC)c1OC 58142656 YQNSNRKBUIZUKX-UHFFFAOYSA-N 410.297 4.585 0 40 HJAB C[C@H](NC(=O)C1(NC(=O)OCc2ccccc2)CCCC1)c1ccccc1Cl 58300467 XXDLTUDCZNBJTH-INIZCTEOSA-N 400.906 4.756 0 40 HJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C)c(C)c3)oc12 67298910 TZUZPZSKTLAYIO-LCUIJRPUSA-N 402.450 4.814 0 40 HJAB CC(C)CC(=O)N1CCCC[C@@H]1c1nnc(C2CCN(CCc3ccccc3)CC2)o1 72344939 KUVUHJIVFFPDKK-JOCHJYFZSA-N 424.589 4.591 0 40 HJAB CCC(=O)N1N=C(c2ccccc2OC)C[C@@H]1c1cc2ccc(OC)cc2nc1Cl 95945287 FEKNAITXKKHKEV-HXUWFJFHSA-N 423.900 4.993 0 40 HJAB Cc1cccc(NC(=O)[C@@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)c1C 96037506 GMYNCBZSDRQDRS-DEOSSOPVSA-N 402.542 4.819 0 40 HJAB C/C=C\c1ccc(OC[C@@H](O)Cn2c(-c3cscn3)nc3ccccc32)c(OC)c1 96939918 UHDALNCFBSHZQW-SVEBXFOSSA-N 421.522 4.641 0 40 HJAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 101495237 BPUGHZMUSVNPKN-KURKYZTESA-N 413.562 4.546 0 40 HJAB CC(C)c1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 222526935 GDKSCFJHEUKZBJ-UHFFFAOYSA-N 408.523 4.887 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 223047278 RQFMZAILFGHUER-HXUWFJFHSA-N 412.599 4.811 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1Cc1ccncc1 223505536 NOVDZJSIBMKIEO-PKTZIBPZSA-N 417.582 4.956 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1Cc1ccncc1 223517055 FKUIYEDOCLZSNN-DHIUTWEWSA-N 417.582 4.956 0 40 HJAB O=C(NC1CCCCCCC1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224034668 TXJBSIOFRSWTPE-UHFFFAOYSA-N 420.962 4.984 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 224100275 CKAOHZWYRNMIRK-FQEVSTJZSA-N 424.585 4.552 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)cc1 224144363 WMYGULAOGQZFNY-HXUWFJFHSA-N 412.599 4.585 0 40 HJAB Cc1ccc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)cc1 224702330 YAZNRQLWXYUJTJ-OAQYLSRUSA-N 422.569 4.548 0 40 HJAB CCC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 224915638 ZVTFYKVAHYHEPN-JOCHJYFZSA-N 412.961 4.749 0 40 HJAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC)c(Cl)c1 224972943 WFDFLIMQJMLWRE-UXHICEINSA-N 412.946 4.742 0 40 HJAB Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)c(I)c1 225012195 YRVSNGVZIGBRJX-UHFFFAOYSA-N 420.077 4.836 0 40 HJAB O=C(c1ccc(NC(=S)NCCCc2ccccc2Cl)cc1)N1CCCCC1 225542283 NDBKEXQBLJPEAZ-UHFFFAOYSA-N 415.990 4.885 0 40 HJAB O=C(CCc1ccccc1Br)NCc1cccnc1-c1cccs1 225760226 NBAPQMBSENTKJJ-UHFFFAOYSA-N 401.329 4.822 0 40 HJAB COc1ccc(N(C)C(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 225910686 ZWGMXLHHMFMBOC-HNNXBMFYSA-N 407.341 4.877 0 40 HJAB CCCCC(=O)N1CCC[C@@H]1c1nc(CCCc2ccccc2)c(C(=O)O)s1 257250906 JONIRFDZHYENMV-GOSISDBHSA-N 400.544 4.870 0 40 HJAB C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)C3CCCC3)[C@H]1CCCCC(=O)N2 257266380 MCSSKRPZHINJPO-IPJJNNNSSA-N 422.491 4.987 0 40 HJAB Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)c(C)c1 408603206 FVZXBCSMHLGEBF-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CCc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 409028806 SZPQGVAOXCNMJJ-UHFFFAOYSA-N 422.550 4.700 0 40 HJAB COc1ccc(Br)cc1/C=C1\SC(=O)N(c2ccccc2OC)C1=O 409052926 FCCQVPOGBSHSRS-YBEGLDIGSA-N 420.284 4.707 0 40 HJAB COCC[C@](C)(O)CNC(=O)Nc1ccc(Sc2ccc(C(C)C)cc2)cc1 523931130 HQWSHYTUMBBEKD-QFIPXVFZSA-N 402.560 4.870 0 40 HJAB Cc1ccccc1-c1cc(NC(=O)c2nc3ccccc3cc2Br)n(C)n1 558146942 JQHXKNGCGUHWPA-UHFFFAOYSA-N 421.298 4.959 0 40 HJAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)c3cc(F)cc(F)c3)CC2)cc(C)c1Cl 2037912248 IQIBWHOCHOLLGR-JOCHJYFZSA-N 423.887 4.671 0 40 HJAB Cc1cc(C)cc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)c1 1379960 XCZPQDXCVWOGCC-QHCPKHFHSA-N 417.509 4.738 0 40 HJAB CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c12 2091552 PQZPVXHFSITKMY-INIZCTEOSA-N 417.502 4.509 0 40 HJAB biogenic COc1ccc(C(=O)Nc2cccc(OC(F)(F)[C@H](F)C(F)(F)F)c2)cc1OC 3235312 XVSHOLKUHLBTAR-MRXNPFEDSA-N 423.309 4.828 0 40 HJAB CN(C)[C@@H](Cc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)C(=O)c1ccccc1 3282634 DVTRUXYSKRGOTE-WIOPSUGQSA-N 405.469 4.789 0 40 HJAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 3334287 FBMFJKUEJYOXBA-SFHVURJKSA-N 402.494 4.758 0 40 HJAB CCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)c(Cl)c1 4746889 TXAXOUNHDWHYSS-UHFFFAOYSA-N 413.949 4.740 0 40 HJAB C[C@H]1CN(C(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)C[C@H](C)O1 5255856 CTNDVBYNPRXBPE-STQMWFEESA-N 419.597 4.595 0 40 HJAB O=C(CCN1c2ccccc2Sc2ccccc21)OCC(=O)N1CCCCCC1 5699189 KRQLLXFLZVNYQD-UHFFFAOYSA-N 410.539 4.625 0 40 HJAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(C(=O)O)ccc3C)o2)cc1C 6044500 LXBYJKUVONPTID-UHFFFAOYSA-N 408.479 4.697 0 40 HJAB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Br)o3)SC2=S)c1 6563214 LGSLINCNIUZURW-JYRVWZFOSA-N 408.298 4.651 0 40 HJAB Cc1csc(-c2ccc(OCC(=O)c3cc(C)n(C[C@H]4CCCO4)c3C)cc2)n1 7995396 KRMJVNJFLDNLJI-HXUWFJFHSA-N 410.539 4.978 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)NCC3CCCCC3)o2)cc1 8132096 WVTRMJUEQXQUHM-MRXNPFEDSA-N 416.591 4.760 0 40 HJAB Cc1ccccc1NC(=O)Cn1nc(Cc2ccccc2)n(-c2ccccc2)c1=S 8416030 WMKFAWQTNWQJHN-UHFFFAOYSA-N 414.534 4.941 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O 8613843 FQLSSLXPLIYPBG-ZDUSSCGKSA-N 424.913 4.682 0 40 HJAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1coc(-c2cccs2)n1 8767636 MOJPPVSASAMRLH-UHFFFAOYSA-N 420.332 4.545 0 40 HJAB Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)Nc2ccc(F)c(F)c2)cc1 9132257 SBHMRPPLSHUMNS-CQSZACIVSA-N 413.449 4.651 0 40 HJAB O=C(C1CCC1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 9256854 GBDKKPPYYZYLAV-MRXNPFEDSA-N 421.360 4.885 0 40 HJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1ncnc2sccc12 9578655 VTGSFRHIUVPVSI-LLVKDONJSA-N 400.554 4.613 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3c(C)cccc3C)ccc2C)cc1 10315091 XPODQGFLMBTTIJ-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CCN1C(=O)c2cccc3c(S(=O)(=O)Oc4cc(Cl)ccc4Cl)ccc1c23 11691616 DSANGIKSAMOHFR-UHFFFAOYSA-N 422.289 4.894 0 40 HJAB COc1ccccc1NC(=O)Cn1cc(-c2nnc(-c3ccco3)o2)c2ccccc21 11695961 GLISGQDAQSDMEB-UHFFFAOYSA-N 414.421 4.599 0 40 HJAB Cc1csc(NC(=O)CSc2nnc(-c3ccccc3)c3sc(C)nc23)n1 12232810 JNJWBDQLIRWJFQ-UHFFFAOYSA-N 413.553 4.557 0 40 HJAB COc1ccc2cc3cc(C(=O)OCC(=O)Nc4ccc(C)c(C)c4)sc3nc2c1 12551678 JEFIUZAYOQMJLI-UHFFFAOYSA-N 420.490 4.870 0 40 HJAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N(C)Cc1ccccc1N1CCCCC1 12600048 LGQWPEFSJJTEGN-UHFFFAOYSA-N 416.569 4.811 0 40 HJAB COc1ccc(NC(=O)Nc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)cc1 12761675 UODHBIHVLUNKLQ-UHFFFAOYSA-N 406.442 4.992 0 40 HJAB O=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(C2SCCS2)cc1 12972513 RGRHCDNQTHADKG-LJQANCHMSA-N 413.564 4.686 0 40 HJAB O=C(CCc1c[nH]c2ccccc12)Nc1ccnn1Cc1ccc(Br)cc1 13023005 NNJMPGFLKJINGB-UHFFFAOYSA-N 423.314 4.747 0 40 HJAB Cc1cc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)c(C)n1Cc1ccco1 13057731 USNGRUNKSWJOAW-UHFFFAOYSA-N 421.280 4.675 0 40 HJAB CCc1cc2c(=O)n(Cc3ccco3)c(SCc3nc4ccccc4[nH]3)nc2s1 13564820 MHJINQZATRIKDH-UHFFFAOYSA-N 422.535 4.830 0 40 HJAB CC(C)(C)NC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(C(C)(C)C)cc2)on1 15673715 AAQFRQHWHORTGK-OALUTQOASA-N 411.590 4.712 0 40 HJAB biogenic,in-vitro O=C(c1ccccc1)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19368662 JFZSBJATOBSGAR-OAQYLSRUSA-N 421.504 4.912 0 40 HJAB CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccccc3Cl)CC[C@H]21 19499201 ACLCBQZHZNUWKS-KCZVDYSFSA-N 400.925 4.706 0 40 HJAB COc1cccc(-c2ccc([C@H]3CN(Cc4c(C)nn(C(C)C)c4C)CCO3)nc2)c1 19693519 JLVXQFVLVNWZPE-RUZDIDTESA-N 420.557 4.725 0 40 HJAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCN(C(=O)CC3CCCCC3)C2)c1 19694755 PVLZMGWHMUAQTF-FQEVSTJZSA-N 422.573 4.505 0 40 HJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)CSc1ccc(Cl)cc1 20151203 ORYNVQVMQHDWHD-UHFFFAOYSA-N 403.887 4.832 0 40 HJAB COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)n(C)c2c1 20761567 FGNNRUJZMHWYBW-UHFFFAOYSA-N 423.900 4.529 0 40 HJAB biogenic CC[C@@](O)(c1ccc(OCCC(C)C)cc1)[C@@H](CN1CCOCC1)c1ccccc1 20868870 ROHDAMDNCHTNMF-IZZNHLLZSA-N 411.586 4.825 0 40 HJAB O[C@@H](COCc1ccc(Cl)cc1)Cn1c(COc2ccccc2)nc2ccccc21 22082372 BTDKFPDJSBSWON-HXUWFJFHSA-N 422.912 4.846 0 40 HJAB CCOc1ccc(-c2n[nH]c(SCc3ccc(OC)c(Br)c3)n2)cc1 26806940 PMMAICYVJLJECM-UHFFFAOYSA-N 420.332 4.934 0 40 HJAB O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc(CN2CCCC2=O)cc1 32362312 ZTFJYZHGKAPFMF-UHFFFAOYSA-N 400.478 4.531 0 40 HJAB COc1ccccc1N1CCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 32862949 LCERYRXWKYFDAY-AWEZNQCLSA-N 408.329 4.595 0 40 HJAB CCCc1c(C(=O)NC2CCCC2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 33026852 GYHPNYFYIJUPRO-UHFFFAOYSA-N 415.497 4.700 0 40 HJAB CCOC(=O)Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccc(OC)cc3)nc21 36616004 SKJPJHAQJQHZHT-UHFFFAOYSA-N 419.403 4.566 0 40 HJAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 36660916 WSQWAZGYWRDBBY-KRWDZBQOSA-N 406.482 4.648 0 40 HJAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1cccc(NC(=O)C2CC2)c1 40132808 UGXBXXODBBBKCI-UHFFFAOYSA-N 422.916 4.672 0 40 HJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2sccc2n1Cc1ccccc1 40287879 FZDJDFOGURJOQF-UHFFFAOYSA-N 417.534 4.840 0 40 HJAB COc1cccc(CN2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c1OC 57774527 HRWAJIMXHSTRPT-UHFFFAOYSA-N 419.447 4.979 0 40 HJAB Cc1ccc(-c2noc(Cc3nnc(-c4cccc(Br)c4)o3)n2)cc1C 65185544 ULGNLQAQFNXKCM-UHFFFAOYSA-N 411.259 4.757 0 40 HJAB O=c1c2sccc2n(Cc2cccc(Cl)c2)c(=O)n1-c1ccc(Cl)cc1 67258352 YFVYUIOECCSGAD-UHFFFAOYSA-N 403.290 4.569 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cnc(Oc2ccccc2F)nc1 90607747 ISSPRGCBGDRQNX-UHFFFAOYSA-N 401.825 4.858 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97994265 IDPTUYMKEAGXST-CPNJWEJPSA-N 405.845 4.532 0 40 HJAB COc1ccccc1C1(O)C[C@@H]2CC[C@H](C1)N2Cc1c(C(C)C)[nH]c2ncccc12 100736605 QTZNSODDRJGBOH-OXUKXLDXSA-N 405.542 4.710 0 40 HJAB COc1ccc2c(c1OC)C(=O)[C@H](C(=O)c1ccccc1)[C@@H]2CC(=O)c1ccccc1 101571469 NVRNWOFZPFEZRX-KNQAVFIVSA-N 414.457 4.756 0 40 HJAB COc1cccc(-c2noc3nc(C)cc(C(=O)N[C@@H](C)[C@@H]4C[C@@H]5CC[C@@H]4C5)c23)c1 102448414 VHUMOFQGOJFRHK-MKSNKDDYSA-N 405.498 4.761 0 40 HJAB CC1(C)Cc2cccc(OCC(=O)N3CCS[C@H](c4cccs4)CC3)c2O1 219461793 UIUKNJYIJBPKPT-SFHVURJKSA-N 403.569 4.547 0 40 HJAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccc(Cl)c(C)c1 224541274 JOAFFQLFDUHYBS-IBGZPJMESA-N 403.906 4.535 0 40 HJAB O=C(COc1ccc2c(c1)CCCC2)NCCSCc1c(F)cccc1Cl 224581191 IWZLDVPIRMKTKB-UHFFFAOYSA-N 407.938 4.786 0 40 HJAB O=C(O)[C@H](Cc1ccc(I)cc1)Oc1cccc2ccccc12 225069037 MFWZQBXPGLYWCU-SFHVURJKSA-N 418.230 4.519 0 40 HJAB O=C(Nc1ccc2c3c(cccc13)CC2)/C(=C/c1ccco1)NC(=O)c1ccccc1 225202399 SGFUJULZUMVFNA-KQWNVCNZSA-N 408.457 4.941 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 225656033 GVABHRQYKATOHW-CVDCTZTESA-N 412.549 4.789 0 40 HJAB CCCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@@H](C)C1 225662753 UBNRRRAXCYOQDU-YKSBVNFPSA-N 402.579 4.865 0 40 HJAB CCc1ccccc1CN(Cc1ccccc1)C(=O)COc1c(F)cccc1C(=O)O 257314060 UVDNJZYHCKKLPK-UHFFFAOYSA-N 421.468 4.694 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)c1 408923292 VPKUPUKMZSEYQV-VGOFMYFVSA-N 410.470 4.587 0 40 HJAB COc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3C)o2)cc1C 409017704 SUGMBYGYFKQNNV-UHFFFAOYSA-N 411.527 4.601 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(C)n1-c1ccc(Cl)cc1 409099486 SYSZMEIYFZGWSA-UHFFFAOYSA-N 407.326 4.922 0 40 HJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(Cl)c3)[C@](O)(C(F)(F)F)[C@H]2C1 409101641 WVOQTIMGIAZIQD-UVBSCNOISA-N 402.844 4.865 0 40 HJAB O=C(CCc1ccc(-c2ccccc2F)o1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 501462267 PWGQTDVRAHXRGX-KRWDZBQOSA-N 410.464 4.800 0 40 HJAB CCCCN(C(=O)c1ccc2c(Br)cnn2c1)c1ccc(Cl)nc1 1597309103 SYRYQULFNHRBCT-UHFFFAOYSA-N 407.699 4.592 0 40 HJAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(C(F)(F)F)c1 715652 KHHIEGGNRJKPBN-UHFFFAOYSA-N 409.458 4.930 0 40 HJAB CCOc1ccc2[nH]c(=O)c(-c3nc4cccc(C)n4c3NCc3ccco3)cc2c1 1330446 NGGYAYVEIVZSAD-UHFFFAOYSA-N 414.465 4.755 0 40 HJAB COc1ccc(-c2nnc(N(C(=O)Cc3cccc(OC)c3)C3CCCC3)s2)cc1 1345516 SFEWEDUUALIQOV-UHFFFAOYSA-N 423.538 4.741 0 40 HJAB COc1ccc(CCNc2ncc3c(n2)C[C@H](c2ccccc2Cl)CC3=O)cc1 1422715 XXLUTRXIEFBJKG-INIZCTEOSA-N 407.901 4.706 0 40 HJAB Cc1nc2ccccc2n1-c1nn2c(C(F)(F)C(F)(F)F)nnc2c2ccccc12 1446105 VIWSOHCKTOSPPW-UHFFFAOYSA-N 418.329 4.579 0 40 HJAB CCn1c2ccc(C(=O)CCCN(C)C)cc2c2cc(C(=O)CCCN(C)C)ccc21 1566073 GZZYYJSRVCAKMZ-UHFFFAOYSA-N 421.585 4.863 0 40 HJAB COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)c2ccccc2)cc1OC 1994041 RINUWYKRBVQYPA-UHFFFAOYSA-N 416.429 4.739 0 40 HJAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc(F)c(F)c(F)c1F 3222605 MNZWHZLOMFUDQU-UHFFFAOYSA-N 421.419 4.510 0 40 HJAB CSc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 4695927 KGEZEPYLNVXYLK-WOJGMQOQSA-N 412.536 4.700 0 40 HJAB COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1OC 4715797 ONKAVSVXAXMCIG-HOYKHHGWSA-N 420.465 4.856 0 40 HJAB CC[C@@H](C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 4837400 MAUPZZZEAKRODF-KKZNHRDASA-N 406.861 4.787 0 40 HJAB Cc1sc2c(c1C)c(=O)n(-c1ccc(F)cc1)c(=O)n2Cc1cccc(Cl)c1 4882486 VTOGCNUOZDJRNX-UHFFFAOYSA-N 414.889 4.672 0 40 HJAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc(C(C)=O)c4)sc3n2)cc1 4931018 KFQKAANYCAGTOO-UHFFFAOYSA-N 405.479 4.835 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(F)cc1)N(CCCOC(C)C)C3=O 5215876 UBWGBXYSYLEFEV-JOCHJYFZSA-N 423.484 4.909 0 40 HJAB CCCCCC[C@H](O)C/C=C\CCCCCCc1c(C(=O)OC)[nH]c(=S)[nH]c1=O 5545335 VMPUSPLQIAFVDX-GKUQOKNUSA-N 424.607 4.990 0 40 HJAB Cc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(Sc3ncn[nH]3)n2)cc1C 5797481 LMDXRAOZJAXSJD-UHFFFAOYSA-N 418.530 4.862 0 40 HJAB Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(-n2cccn2)cc1 7253946 DOLAHHISJSTYDZ-UHFFFAOYSA-N 411.918 4.526 0 40 HJAB O=C(CSc1nnc(C2CC2)n1C1CC1)N[C@H](c1ccccc1)c1cccs1 7551412 QAGKVYVKMBRRMK-LJQANCHMSA-N 410.568 4.550 0 40 HJAB COc1cccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 7609884 KVDNLPCWVWNROM-NRFANRHFSA-N 408.885 4.849 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1nc(-c2ccccn2)cs1 7737656 LALZSFQDAFEZDZ-UHFFFAOYSA-N 403.511 4.579 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)/C=C/c1ccc(C)o1)CC2 7989956 PQEUEDFGXFEYBP-ZEWVGQQJSA-N 403.478 4.793 0 40 HJAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(N2CCCCC2)cc1 8165567 SHKZLUNDJHMQAE-UHFFFAOYSA-N 413.521 4.712 0 40 HJAB COc1ccccc1CNC(=O)Cc1csc(SCc2ccc(Cl)cc2)n1 8854329 IXKMCPVJOGFRER-UHFFFAOYSA-N 418.971 4.956 0 40 HJAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3c(F)cccc3Cl)ccc21 8958898 JKEUBXREIXERCP-UHFFFAOYSA-N 404.869 4.893 0 40 HJAB Cc1nc(-c2ccccc2Cl)nc2sc(C(=O)Nc3nccs3)c(N)c12 8990221 DEKNOXYOUACPJC-UHFFFAOYSA-N 401.904 4.611 0 40 HJAB Cn1c(SCC(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(Cl)cc1 9532549 YOQCWXWYIOTUAP-UHFFFAOYSA-N 411.289 4.659 0 40 HJAB COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OCC(=O)OC(C)C)cc34)oc12 9708082 VNLRISRWTSVVPE-UHFFFAOYSA-N 422.433 4.854 0 40 HJAB biogenic Cc1nc(-c2cccc(NC(=O)CSc3nnc(C)n3-c3ccccc3)c2)cs1 9797689 XSGXSZRNQBKFNC-UHFFFAOYSA-N 421.551 4.738 0 40 HJAB COc1ccc(C)cc1CN(C)C(=O)c1sc(COc2ccc(C)cc2)nc1C 9918862 MDMQRSIYMVPICU-UHFFFAOYSA-N 410.539 4.928 0 40 HJAB CC(C)n1ncc2cc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)cnc21 9979282 RMWJUBNRYDKKOP-UHFFFAOYSA-N 408.465 4.875 0 40 HJAB Cc1c(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)sc2ccccc12 10213428 PTLJLKWNFWWLOS-UHFFFAOYSA-N 410.476 4.963 0 40 HJAB Cc1ccccc1NC(=O)Cc1csc(SCC(=O)c2ccc(F)cc2)n1 12444181 JAOPWEHTQCZRCD-UHFFFAOYSA-N 400.500 4.747 0 40 HJAB CN(C)C(=O)[C@@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)c1ccccc1 12556670 XDGZMBGSVWBBRH-KRWDZBQOSA-N 416.344 4.761 0 40 HJAB C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC(c2c[nH]c3ccccc23)CC1 12769757 MUJOACJLXPNKSF-OAHLLOKOSA-N 413.468 4.976 0 40 HJAB Cc1ccc(N2C[C@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)cc1F 13037052 KQKIVCPFBZSSCD-CYBMUJFWSA-N 405.351 4.723 0 40 HJAB O=C(CSc1ccc(Br)cc1)/N=c1\ccccn1Cc1ccccc1 13149234 FZUPFMLKVYYTGU-ZBJSNUHESA-N 413.340 4.519 0 40 HJAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(Cc1cccnc1)C3=O 13207161 UGBGPGPTYQKPCA-OAQYLSRUSA-N 414.436 4.689 0 40 HJAB Cc1c(-c2ccccc2)sc2ncnc(NC3CCN(C(=O)c4ccco4)CC3)c12 14201926 LJTYJIZGIPRTSV-UHFFFAOYSA-N 418.522 4.976 0 40 HJAB CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3cc(C)ccc3O)cs2)cc1 14670944 MIRGVWJDMRDDLT-UHFFFAOYSA-N 410.495 4.761 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)COc2ccccc2)n1 19525521 PNHCVOJBFUDHAZ-JOCHJYFZSA-N 416.525 4.624 0 40 HJAB CCOC(=O)c1cc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)ccc1Cl 20042582 XGQDFXZGCXKFQC-UHFFFAOYSA-N 422.717 4.765 0 40 HJAB Nc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1N1CCOCC1 20154086 UPACYYSIBPBFSL-UHFFFAOYSA-N 422.337 4.879 0 40 HJAB CSc1cccc(NC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)c1 20768176 DHBSGJFWQPURJW-UHFFFAOYSA-N 407.520 4.706 0 40 HJAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Cl)cc1C(F)(F)F)cn2C 22237377 CMHUKDOWSDIHDX-UHFFFAOYSA-N 424.806 4.862 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)CCc2ncc(-c3ccccc3F)o2)c(OC)c1 22386443 WAGLHEZOPZECES-HXUWFJFHSA-N 424.472 4.794 0 40 HJAB CC1CCN([C@H](c2cccs2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22852565 FENZKNZTVGUNDT-OAHLLOKOSA-N 400.529 4.639 0 40 HJAB Cc1oc(-c2cccs2)nc1CC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 24502054 HXONSNJFVKWAOD-UHFFFAOYSA-N 424.522 4.954 0 40 HJAB Fc1ccc(CSc2nc(CN3CCOCC3)nc3ccccc23)c(Cl)c1 24527680 DYIUUMUPHIQGAL-UHFFFAOYSA-N 403.910 4.547 0 40 HJAB Cc1cc(NS(=O)(=O)c2ccc(Oc3ccc(-c4ccccc4)cc3)nc2)no1 24775471 WURGGTKNELXZQB-UHFFFAOYSA-N 407.451 4.638 0 40 HJAB Cc1c(C(=O)Nc2nc(CN3CCCCC3)cs2)cnn1-c1ccc(Cl)cc1 24981125 YWKOVTQWAHBWQY-UHFFFAOYSA-N 415.950 4.529 0 40 HJAB O=C(NOCc1ccccc1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 25039550 TUKPWEJFNQSUHU-UHFFFAOYSA-N 412.445 4.535 0 40 HJAB COc1ccc(N(Cc2cccs2)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 27794577 IADLIVBEUQXOET-UHFFFAOYSA-N 413.495 4.630 0 40 HJAB COc1ccc(-c2noc(CCCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1OC 33000180 HGUGORYHEXWSSA-UHFFFAOYSA-N 409.486 4.640 0 40 HJAB COc1cc(CN(C)Cc2nc(O)c3sccc3n2)ccc1OCc1ccccc1 36389654 GPHPPGMYNNMXKF-UHFFFAOYSA-N 421.522 4.617 0 40 HJAB CCOc1ccccc1NC(=O)c1cc(-c2cccc(OC)c2)nc2c1c(C)nn2C 36615917 RKNDVZAOBVZXKT-UHFFFAOYSA-N 416.481 4.603 0 40 HJAB O=C(OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1ccc(F)cc1Cl 51315285 RPIPVAPFSJQVTF-UHFFFAOYSA-N 416.714 4.785 0 40 HJAB CCc1ccc([C@@H](NCC(=O)Nc2ccnn2C2CCCC2)c2cccs2)cc1 57312430 AJKWLCSCQYIHTN-HSZRJFAPSA-N 408.571 4.940 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccc(C)cc2Cl)nc2ccsc2c1=O 57426384 WVMDLWKYFKJYIH-UHFFFAOYSA-N 421.975 4.951 0 40 HJAB CN(Cc1nc2ccccc2n1Cc1ccc(Br)cc1)C(=O)c1ccco1 64787811 VDBAHQACCXGYMX-UHFFFAOYSA-N 424.298 4.712 0 40 HJAB CC(C)c1cccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)c1 71327995 HFCHHQKWUGIDBQ-UHFFFAOYSA-N 403.526 4.740 0 40 HJAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)CCn4ccnc4C)C3)c2)c1 72354061 KPYSFICOWAHIOT-DEOSSOPVSA-N 416.569 4.590 0 40 HJAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCN(CC(=O)Nc3ccccc3F)C2)n1 72374733 MDOLJJXJPSRWFF-HXUWFJFHSA-N 421.491 4.687 0 40 HJAB CCN(CC)[C@H](C(=O)N1CCc2nc(-c3ccc(F)cc3)sc2C1)c1ccccc1 72391992 ZUSSGRKQBBZRFS-QFIPXVFZSA-N 423.557 4.917 0 40 HJAB CC(C)(C)C(=O)NCCC(=O)N(c1cccc(Br)c1)C1CCCCC1 84140112 BGKGTCTXHVVTMU-UHFFFAOYSA-N 409.368 4.667 0 40 HJAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCCc2ccncc2C)cc1 89702440 CONCFXWJACSIKG-UHFFFAOYSA-N 413.521 4.838 0 40 HJAB FC(F)(F)c1cc(NC[C@H](c2cccs2)N2CCOCC2)c2ccccc2n1 89866639 QFSKODCWAFORPE-QGZVFWFLSA-N 407.461 4.801 0 40 HJAB COc1ccc([C@@H]2SCC(O)=Nc3ncn(-c4ccc(Cl)cc4)c32)cc1O 95475192 XGDJATDZBFUFRF-SFHVURJKSA-N 401.875 4.664 0 40 HJAB COc1cccc(-c2ccc(CN3C[C@H]4CCC[C@H](C3)C4(O)c3ccccn3)cc2)c1 100149115 FJFCQFQKWNMMHL-DNQXCXABSA-N 414.549 4.877 0 40 HJAB O=C(NC1CCCCC1)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 101282158 BZLDAKFOFLCOIY-UHFFFAOYSA-N 420.900 4.535 0 40 HJAB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1[C@@H]1CC=CCC1 216580662 FCLOAWQVNAAUKG-JRGCBEDISA-N 409.530 4.506 0 40 HJAB O=C(c1ccc(Cl)s1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217369737 JEHJVTWERNOMAY-UHFFFAOYSA-N 422.953 4.689 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 223601553 HBVALXLBHVTIMH-QFIPXVFZSA-N 414.977 4.996 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223811409 DRHFHAOUVUDODW-SFHVURJKSA-N 412.961 4.667 0 40 HJAB CCOc1ccccc1NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 224354974 QUDPUIAJMFVESW-UHFFFAOYSA-N 424.522 4.553 0 40 HJAB CCn1c(=O)sc2cc(NC(=O)c3cccc(OCc4ccccc4)c3)ccc21 225102368 BRIHEXZCARFZKP-UHFFFAOYSA-N 404.491 4.914 0 40 HJAB CCc1ccc([C@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 225408820 XAWPUCUJRAGSRE-KRWDZBQOSA-N 408.523 4.541 0 40 HJAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 225472153 ATZXSSRAYIHLAF-OAHLLOKOSA-N 420.600 4.605 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 225490340 QAGJXKRLWDDTKL-NZQKXSOJSA-N 424.585 4.911 0 40 HJAB Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)C)cc1 225646196 NUIDANHEXREIMC-MRXNPFEDSA-N 421.368 4.786 0 40 HJAB Cc1cccc(-c2noc(CCC(=O)Nc3ccc(Br)cc3F)n2)c1 225813887 VUJSZTPDQMROEJ-UHFFFAOYSA-N 404.239 4.518 0 40 HJAB COc1ccccc1CC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257208778 BNOCHNCBNOYNND-LJQANCHMSA-N 424.928 4.876 0 40 HJAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(Cc4cscn4)CC3)CO[C@H]21 257342785 ZQDRNHUJURSIOV-AZUAARDMSA-N 414.571 4.683 0 40 HJAB COc1cc(/C=C/C(=O)N2CCCC[C@H]2CSC(C)(C)C)cc(OC)c1OC 390831645 TVJJZYKSRLODSD-DVQDXYAYSA-N 407.576 4.638 0 40 HJAB CCN1CCN(C(=S)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)CC1 408572256 FWFITXXBTRKRFK-UHFFFAOYSA-N 409.382 4.885 0 40 HJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(C(=O)Nc3ccccc3Cl)cc1)C2=O 408722012 OIRLSKBHLBILRS-QMHKHESXSA-N 410.901 4.908 0 40 HJAB Brc1ccc(-c2cnc(CSc3n[nH]c(-c4cccnc4)n3)o2)cc1 525115129 HNAROLXARQBNEP-UHFFFAOYSA-N 414.288 4.577 0 40 HJAB C[C@H]1CN(C(=O)C2(C(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)CCC2)[C@@H]1c1ccccc1 531633295 YUCRTIOQZXIUSM-PVTAMDAMSA-N 402.538 4.596 0 40 HJAB Cc1ccc([C@H](C)N(C)C(=O)CSCC(=O)N(C)[C@@H](C)c2ccc(C)cc2)cc1 534520906 BOAMSAGMTMWAGM-PMACEKPBSA-N 412.599 4.776 0 40 HJAB Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)[C@H]2CCC(=O)C[C@H]2C)C3)cc1 1136626021 IOTSECBQPFSBSF-UTKZUKDTSA-N 419.525 4.529 0 40 HJAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1 1627771289 OTICQCCZBZUOSQ-UHFFFAOYSA-N 405.542 4.574 0 40 HJAB CC1(C)C[C@@]2(CCCN2C(=O)c2ncccc2C(F)(F)F)CN1c1ccc(F)cc1 2037988514 PYDMAERLOKVDMY-NRFANRHFSA-N 421.438 4.903 0 40 HJAB C/C(=C(/NC(=O)c1ccccc1)C(=O)NCc1ccccc1)c1ccc(Cl)cc1 2126956 LHLWZCUEELCQSN-XLNRJJMWSA-N 404.897 4.817 0 40 HJAB COc1ccccc1-c1c(NC(=O)c2ccccc2F)n(C)c2ccccc2c1=O 2204611 YUZFZGASVBLGLG-UHFFFAOYSA-N 402.425 4.606 0 40 HJAB Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1N(C)c1ccccc1 2309574 HYJCWDXYJMVHOC-UHFFFAOYSA-N 404.495 4.507 0 40 HJAB CN(C)c1ccc([C@H](O)[P@@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 2386621 SZIGYIMGUCOGKS-HLADLETHSA-N 424.481 4.630 0 40 HJAB CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3sccc3C(N)=O)cc2)cc1 2663079 FCHIPFIBOOPBBO-UHFFFAOYSA-N 408.523 4.976 0 40 HJAB CCOc1cc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc(OCC)c1OCC 2736893 ILYPGXSDULJRJQ-UHFFFAOYSA-N 419.346 4.831 0 40 HJAB O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1c(Cl)cc(Cl)cc1Cl 3230043 ZCUMPYOJLPAELY-ZZXKWVIFSA-N 402.636 4.981 0 40 HJAB Cc1sc2nc(SCC(=O)C(C)(C)C)n(Cc3ccccc3)c(=O)c2c1C 3466598 YAYBMYDWXBGQFH-UHFFFAOYSA-N 400.569 4.830 0 40 HJAB O=S(=O)(CCCOc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 3470157 XDSAREIIRLHFNM-UHFFFAOYSA-N 423.250 4.711 0 40 HJAB CCCn1cc(SCC(=O)NCCc2ccc(OC)c(OC)c2)c2ccccc21 3581962 XIXXLOYSXBCNSR-UHFFFAOYSA-N 412.555 4.520 0 40 HJAB O=C(O)c1c2c(nc3ccccc13)[C@@H]1Cc3c(nc4ccccc4c3C(=O)O)[C@H](C2)C1 4489484 RNCYOTIGFIMBBD-STQMWFEESA-N 410.429 4.549 0 40 HJAB COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(C)cc2C)c1 4518146 SKXZJKYQNYKVII-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB C[C@H](OC(=O)CCc1ccccc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 5367731 HRMLCRCZRBTVDU-ZDUSSCGKSA-N 416.449 4.591 0 40 HJAB COc1ccccc1CNC(=O)c1csc(Cc2cccc(C(F)(F)F)c2)n1 6182619 WNCSHULRLLKVOR-UHFFFAOYSA-N 406.429 4.691 0 40 HJAB COc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccc(F)cc2)cc1 6818751 WWWVEDOROKFHHB-UHFFFAOYSA-N 411.502 4.678 0 40 HJAB Cc1ccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c(C)c1 6844136 IEGJALYCPXDTIA-UHFFFAOYSA-N 406.873 4.708 0 40 HJAB O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 6881874 PIXPCEJDVGELRC-GOSISDBHSA-N 400.434 4.680 0 40 HJAB COc1ccc(CC(=O)Oc2ccc3cc(Br)ccc3c2)cc1OC 7058519 UMYNIDXNKRKFPP-UHFFFAOYSA-N 401.256 4.768 0 40 HJAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)NC(c1ccccc1)c1ccccc1 7903750 WVKCVRNMXDVJEK-INIZCTEOSA-N 418.566 4.877 0 40 HJAB O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc(Br)cc1 8470750 BWSIPFXZCKXVEI-UHFFFAOYSA-N 401.304 4.764 0 40 HJAB COc1cccc(N2C[C@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)c1 8475433 QAKTWWFXRWNJRN-OAHLLOKOSA-N 400.434 4.586 0 40 HJAB Cc1noc(C)c1CSc1ccccc1C(=O)O[C@H](C)C(=O)NC1CCCCC1 8712871 SAMANGYVZWOPFR-MRXNPFEDSA-N 416.543 4.578 0 40 HJAB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccccc1 11582421 GOYZKYVQWGNNAH-HKBOAZHASA-N 422.843 4.530 0 40 HJAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCCN1C(=O)CC(C)(C)C 12085343 DMWUITYDEDONHM-OAHLLOKOSA-N 408.464 4.756 0 40 HJAB CN(C)CCCN(C(=O)c1cccs1)c1nc2ccc(Br)cc2s1 12140948 VHKYMEDCLOMASN-UHFFFAOYSA-N 424.389 4.719 0 40 HJAB COc1cccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3Cl)c3ccccn23)c1 12342136 WNWOPUKYNVTGSF-UHFFFAOYSA-N 419.868 4.667 0 40 HJAB O=C(c1ccccc1)c1cnc2ccc(F)cc2c1N1CCN(c2ccccc2)CC1 12437894 QIGNTVWYOHRLRZ-UHFFFAOYSA-N 411.480 4.932 0 40 HJAB COC(=O)c1ccc(OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)c(OC)c1 12811529 XQAYVRBIXROLNN-XMMPIXPASA-N 424.424 4.808 0 40 HJAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)n2)cc1C 12907028 NWOKKZVWYYKBFG-QGZVFWFLSA-N 409.511 4.511 0 40 HJAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 12944939 HCLCJDMDCVZUNJ-JOCHJYFZSA-N 401.510 4.739 0 40 HJAB Cc1sc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)nc1-c1ccc(F)c(F)c1 12979282 RUQIYVMBLHPZAW-NRFANRHFSA-N 414.433 4.507 0 40 HJAB COc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nc3ccccc3c2=O)cc1 13281894 KOCHLTIOWYBNSK-UHFFFAOYSA-N 414.490 4.563 0 40 HJAB Cc1cc(C)c(NC(=O)CNC(=O)CCc2ccc(-c3ccccc3F)o2)c(C)c1 14247120 SBHWXDRDJHUXRU-UHFFFAOYSA-N 408.473 4.698 0 40 HJAB CCOC(=O)C1(Cc2cc(-c3ccccc3)no2)CCN(Cc2cccs2)CC1 19530203 KVILMLIMPBHEKB-UHFFFAOYSA-N 410.539 4.791 0 40 HJAB Cc1cccc(OCc2nc3c4c5c(sc4ncn3n2)C(C)(C)NC(C)(C)C5)c1C 19901167 VPQNTVWIPNJFJL-UHFFFAOYSA-N 421.570 4.694 0 40 HJAB O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(c2ccccc2Cl)CC1 19909395 IWQJMRBOMOJZJC-JOCHJYFZSA-N 422.956 4.569 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 20111997 JCGHVRCSRZOLMZ-IBGZPJMESA-N 422.550 4.904 0 40 HJAB COc1ccc(CNC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc23)cc1 32985788 AMTBXFOJXAUNTH-UHFFFAOYSA-N 416.452 4.745 0 40 HJAB O=C(COc1ccccc1-c1nc(-c2ccccc2Cl)no1)NC1CCCCC1 35476137 SNZCNTBKQRMZJZ-UHFFFAOYSA-N 411.889 4.885 0 40 HJAB Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)N[C@H](C)c3ccc(C(C)C)cc3)c12 36619429 HNTCKOVWEXHBRN-CQSZACIVSA-N 403.486 4.546 0 40 HJAB CCN(Cc1cccc(F)c1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 36624914 PRHAQEMBQMTPAX-UHFFFAOYSA-N 400.457 4.736 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)cc1 36656497 VXVGHKSETCDIQI-UHFFFAOYSA-N 417.490 4.625 0 40 HJAB O=C(NCCC1=CCCCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 38772833 LEGJXTOBQHGJDU-UHFFFAOYSA-N 418.946 4.761 0 40 HJAB Cc1nc(C)c2c(C)c(C(=O)Nc3nc(CN4CCCCCC4)cs3)sc2n1 40068182 PVOUQACKPPVUGH-UHFFFAOYSA-N 415.588 4.701 0 40 HJAB O=C(Nc1ccc(Cn2ccccc2=O)cc1)c1ccccc1CCc1ccccc1 40134544 UPXFKOKUXVQVBS-UHFFFAOYSA-N 408.501 4.934 0 40 HJAB CCCCC1CCC(C(=O)Nc2nn3c(-c4ccc(OC)cc4)nnc3s2)CC1 41076459 RZIVKLWEYLVZJO-UHFFFAOYSA-N 413.547 4.797 0 40 HJAB COc1ncccc1NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 45932857 XAXMKVGFBWYGTC-UHFFFAOYSA-N 401.470 4.644 0 40 HJAB O=C(NCCC1=CCCCC1)c1cnc2scc(-c3ccccc3Cl)n2c1=O 64787977 JUFBNZQJRYRWOV-UHFFFAOYSA-N 413.930 4.697 0 40 HJAB O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1Cc1cccnc1 67258400 FEDUJHVDZPWGOF-UHFFFAOYSA-N 411.889 4.925 0 40 HJAB COc1ccc(-c2cc3c(N4CC=C(c5ccccc5)CC4)nccn3n2)cc1OC 67285304 XCVPTDHXTZYEMQ-UHFFFAOYSA-N 412.493 4.707 0 40 HJAB Cc1cc(Cl)ccc1/N=c1\oc2cc(O)ccc2cc1C(=O)NCc1ccco1 67299315 ZLKFSPMLDWDRSV-LVWGJNHUSA-N 408.841 4.856 0 40 HJAB Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cnc4ccccc4c3)n2)cc1 67898563 MZCYKXFLFQHZDO-QFIPXVFZSA-N 404.901 4.852 0 40 HJAB biogenic,in-vitro Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN(Cc3ccccn3)C2)n1 72345978 DBMJXASZWKXEMT-INIZCTEOSA-N 413.447 4.519 0 40 HJAB O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccc2[nH]c(C3CCC3)nc2c1 95946798 GQPUGBTYDQCTDC-UHFFFAOYSA-N 412.493 4.742 0 40 HJAB CN(C)c1nccc(CNCc2cccc(Oc3cccc(C(F)(F)F)c3)c2)n1 95989205 LWPBRDAAUCOJQV-UHFFFAOYSA-N 402.420 4.644 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918926 PGSWBIZOBGMFIQ-FSSNKTKLSA-N 416.631 4.567 0 40 HJAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 123301134 KCWRJZPEFSQWMV-LXIAQLAESA-N 418.574 4.565 0 40 HJAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(N(C)C)cc2)S1 222623359 YNDQMVXMFNNXHA-SSKFGXFMSA-N 403.555 4.528 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccnc2)c1C 222954674 HHNUGKXEVQPUMA-FGZHOGPDSA-N 405.571 4.657 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)N[C@H](C)CC)cc1 223130254 WATFNSAFMVEJPN-MOPGFXCFSA-N 412.549 4.653 0 40 HJAB COc1ccc(CCNC(=O)c2ccc(OC)c(COc3ccccc3C)c2)cc1 224095816 TXIDESCTDRDKAD-UHFFFAOYSA-N 405.494 4.564 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 225154126 IOUDODSCSAIHFI-RTBURBONSA-N 414.977 4.913 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)cc1 225162190 JOHDDYXNXJBHNZ-GOSISDBHSA-N 400.950 4.525 0 40 HJAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccc(OCc2ccccc2)cc1 225734897 MNXCYMYTUDLTAT-UHFFFAOYSA-N 418.880 4.873 0 40 HJAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(Br)cc1N 226359490 HRWFGIPFVZQMDW-UHFFFAOYSA-N 404.091 4.664 0 40 HJAB CN(Cc1ccc(Br)s1)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 248093993 YNSOAODOZKWKFB-UHFFFAOYSA-N 409.349 4.767 0 40 HJAB Cc1nc(-c2cccc(NC(=O)c3cnc(O[C@@H]4CCOC4)c(Cl)c3)c2)cs1 253407467 WLRXLJPEBFPBGM-MRXNPFEDSA-N 415.902 4.587 0 40 HJAB O=C(COC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1)c1ccccc1 408698312 PAXUERDVVCGVPS-UHFFFAOYSA-N 417.852 4.627 0 40 HJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3c4ccccc4C[C@@H]23)c1OC 408994794 JFDPWODHHIQJQK-PTUXOGIPSA-N 401.462 4.873 0 40 HJAB C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(Br)cc1 848226 WUCZMVJKNZJAAA-JTQLQIEISA-N 422.279 4.758 0 40 HJAB O=c1c2ccccc2nc2n1[C@@H](CSc1ccc(Br)cc1)CS2 1405454 QUCWJPYUVGUGTO-LBPRGKRZSA-N 405.342 4.598 0 40 HJAB O[C@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1)[C@H]1CCCCN1 1568035 OCVRKDMRZFCUEE-RHSMWYFYSA-N 404.354 4.962 0 40 HJAB in-man Cc1ccccc1C(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C(=O)OC(C)C 2086606 IVNHSFHMYWNXFE-UHFFFAOYSA-N 403.500 4.748 0 40 HJAB Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1Cc1ccccc1Cl 2247699 DBYMUYYZIDGOPG-UHFFFAOYSA-N 419.916 4.541 0 40 HJAB CCCCn1nc(NC(=O)c2cc(OC)cc(OC)c2)c2cc3ccccc3nc21 2417743 MSTMUPHVCDWWLP-UHFFFAOYSA-N 404.470 4.654 0 40 HJAB O=C(Nc1csc(Cn2cnc(Cl)c2Cl)n1)Nc1ccccc1Cl 2557719 XBGHQYQZLLRFCJ-UHFFFAOYSA-N 402.694 4.992 0 40 HJAB C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)NCCC1=CCCCC1 2642609 BSQPLPHWGHVZDG-ZDUSSCGKSA-N 406.552 4.908 0 40 HJAB CCOc1ccc2nc(SCC(=O)N[C@H](C)CCc3ccccc3)sc2c1 3221791 BSTLNTUTCKIJBA-OAHLLOKOSA-N 400.569 4.925 0 40 HJAB CCOc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 3244968 PLKWGMJZDBSHEM-UHFFFAOYSA-N 416.433 4.689 0 40 HJAB COc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)c(OC)c1 3446710 TUBLUSDHFYZZMW-UHFFFAOYSA-N 424.522 4.504 0 40 HJAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc(OCc2ccccc2)cc1 3452885 OTFGXNKLAKIFKQ-UHFFFAOYSA-N 408.885 4.678 0 40 HJAB Cc1ccccc1-n1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccnc1 3465136 PFERSLKMQGHHOP-UHFFFAOYSA-N 404.470 4.752 0 40 HJAB CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)CC(=O)N1 4211122 QAZCNBYERNCGFW-MRXNPFEDSA-N 404.293 4.657 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2cccc(C(F)(F)F)c2)sc(C)c1C 4452393 PBOFIPYSCSQKIO-UHFFFAOYSA-N 401.406 4.578 0 40 HJAB C[C@@H]1CCC[C@@H](NC(=O)COc2ccc3c(=O)c(-c4ccc(F)cc4)coc3c2)[C@@H]1C 4979835 IZTVWXJSZQAIMY-XCGNWRKASA-N 423.484 4.919 0 40 HJAB Cn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccco1 5862539 LFPBGKNDMFZUQE-GOSISDBHSA-N 408.458 4.686 0 40 HJAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCCCC3)cc2)cc1 5946756 BCEUQHJPXHDLNY-UHFFFAOYSA-N 411.571 4.588 0 40 HJAB COc1ccc(Cc2noc(-c3c(-c4ccccc4Cl)noc3C)n2)cc1OC 6825004 VPEFWMCJMIOWSZ-UHFFFAOYSA-N 411.845 4.961 0 40 HJAB COc1cccc(Nc2nnc(SCc3nnc(-c4cccs4)o3)s2)c1 6911391 MGOPWURMRCRIDU-UHFFFAOYSA-N 403.514 4.694 0 40 HJAB CSc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c1 7109653 HZUMCHZDMHQJFE-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N(Cc1ccco1)Cc1cccs1 7780207 ZGIKYEYZEBRCTJ-OAHLLOKOSA-N 414.914 4.576 0 40 HJAB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N[C@@H](C)c3ccco3)n2n1 8216172 SYMYWTLPUZVCTJ-INIZCTEOSA-N 406.511 4.576 0 40 HJAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)Nc2cccc3ccccc23)cc1 8216520 BYSCSEYPLVIOMQ-UHFFFAOYSA-N 416.506 4.556 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 8640101 LONHMKAZZGSRLR-UHFFFAOYSA-N 419.959 4.556 0 40 HJAB O=C(O)c1sccc1Oc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 8857288 QIWUNWLHFGPBIC-UHFFFAOYSA-N 409.872 4.693 0 40 HJAB O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)Nc1cccnc1 9422075 OEBBJNPKFHTXLC-UHFFFAOYSA-N 406.825 4.526 0 40 HJAB COc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C2CCCCC2)cc1 9461393 DGRKAVDSYHTCJZ-UHFFFAOYSA-N 404.510 4.959 0 40 HJAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cc(-c2cccnc2)nc2ccccc12 9646005 KYNHABARQMJZCH-UHFFFAOYSA-N 422.532 4.823 0 40 HJAB CCCCCN(C(=O)Cc1c[nH]c2ccccc12)c1nc(C)c(C(=O)OCC)s1 11232670 YEEQNQSOTZGDJB-UHFFFAOYSA-N 413.543 4.875 0 40 HJAB C[C@@H](OC(=O)c1cccc(OC(F)F)c1)C(=O)Nc1cccc(Cl)c1Cl 11461503 NTGZUNYOFAXPMM-SECBINFHSA-N 404.196 4.779 0 40 HJAB O=C1CCCCC[C@@H]1[C@]1(O)C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 12377245 OEHWBUQTATWGLB-AOMKIAJQSA-N 418.320 4.877 0 40 HJAB CCOc1ccc(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OCC 12876837 AVYBPRFEBBWTBX-UHFFFAOYSA-N 405.922 4.654 0 40 HJAB CCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)CCC2CCCC2)s1 12892847 DDZCUBSYKLNTCF-UHFFFAOYSA-N 417.600 4.947 0 40 HJAB O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 12902524 INIGVEVVJRYIKX-UHFFFAOYSA-N 419.717 4.574 0 40 HJAB COc1cc(CSc2nc(CC(=O)Nc3ccccc3C)cs2)cc(OC)c1 13010323 XRGUVWUAJBAPKA-UHFFFAOYSA-N 414.552 4.942 0 40 HJAB Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1C 13039561 CRWGVQSXZAGSFP-AWEZNQCLSA-N 408.329 4.508 0 40 HJAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nccc(-c3ccc(Br)cc3)n2)C1 13561659 ZYVUFGBKQGKUQK-OKILXGFUSA-N 420.376 4.503 0 40 HJAB O=C1/C(=C\c2ccc(-c3nc4ccccc4s3)o2)NC(=S)N1c1ccccc1F 15256829 ZCVDDCACUHXGMQ-RVDMUPIBSA-N 421.478 4.958 0 40 HJAB Cc1nc(-c2cccs2)c(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 15840116 SEFXVGHEQKSAFJ-UHFFFAOYSA-N 417.987 4.725 0 40 HJAB Cc1cccc(NC(=O)CSC2=NC(c3ccccc3)=NCN2c2ccccc2)c1 15860588 ZFHAVKGWQLPCRR-UHFFFAOYSA-N 414.534 4.947 0 40 HJAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C)cc2Cl)c1 17088412 SMNGJFUSFMGCJM-UHFFFAOYSA-N 410.326 4.777 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)n[nH]c3C)cc2)cc1Cl 17089432 FEOJHZXCTAKSSI-UHFFFAOYSA-N 412.946 4.706 0 40 HJAB CC(C)c1ccc(/C=C/C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 17093837 WJUXSVQEHQHGFB-VMPITWQZSA-N 424.413 4.868 0 40 HJAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccccc1Br 19169112 MLIZBLVJMSKRMA-UHFFFAOYSA-N 410.358 4.945 0 40 HJAB O=C(C1CC1)N1CCC[C@@H](c2cc(Nc3cccc(F)c3)nc(-c3cccnc3)n2)C1 19294181 AZFOHRQXCMCZJW-GOSISDBHSA-N 417.488 4.537 0 40 HJAB Cc1noc(C)c1COc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1 22689602 FKHYVDDFFSSDFA-UHFFFAOYSA-N 404.388 4.819 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 24986160 LJPQRNDINNBGBH-HUUCEWRRSA-N 412.481 4.544 0 40 HJAB CC(C)(C)c1ccc(OCCCC(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 29027393 UVKHVNANGFJPTO-UHFFFAOYSA-N 405.542 4.704 0 40 HJAB C[C@H](Sc1ncnc2cc(-c3ccc(Br)cc3)sc12)C(=O)N(C)C 29970937 ZRVMRJXRRLHERE-JTQLQIEISA-N 422.373 4.690 0 40 HJAB O=C(c1ccccc1CCc1ccccc1)N1CCC[C@@H](c2nnc3ccccn23)C1 32906609 WGHPFIAHAIJDLP-JOCHJYFZSA-N 410.521 4.534 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 36714895 VWQAONUIKMZWIX-YWZLYKJASA-N 411.299 4.517 0 40 HJAB O=C(OCc1nc2ccccc2s1)c1ccc(CS(=O)(=O)c2ccccc2)cc1 40129085 RNBWUHAVFPUDCW-UHFFFAOYSA-N 423.515 4.627 0 40 HJAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 41157128 LUQPNPLPVIYOGJ-KRWDZBQOSA-N 423.738 4.886 0 40 HJAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2cccnc2)CO4)cc1 57128682 NEUAJGYBRRZEKE-UHFFFAOYSA-N 414.461 4.524 0 40 HJAB biogenic CC(C)(C)OC(=O)CCCCCCNCc1csc(-c2ccc3c(c2)OCO3)n1 78869105 QJSSLKSFXKIZPT-UHFFFAOYSA-N 418.559 4.921 0 40 HJAB O=C(c1ccsc1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1 96038326 WBFFZWFITCWIKG-UHFFFAOYSA-N 403.511 4.554 0 40 HJAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCCN2Cc2cccc(F)c2)C1 96071326 UWEJYIINOUUCJK-HSZRJFAPSA-N 400.925 4.679 0 40 HJAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2F)C(=O)N1c1ccc(Cl)cc1 102759508 BLRJGWCBCDORJS-PCCBWWKXSA-N 422.843 4.530 0 40 HJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(Br)ccc1OCC 106107716 ZOELXUMUEPPHKS-MRXNPFEDSA-N 423.332 4.616 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1C 218802731 YAQSUPHJLSCCPT-INIZCTEOSA-N 414.552 4.657 0 40 HJAB O=C(COc1ccc(I)cc1)Nc1cc(Cl)cc(Cl)c1 219830957 DEEYCMSLQDZTGX-UHFFFAOYSA-N 422.049 4.616 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C 222944753 KWEIDNMLCXDKBH-QHCPKHFHSA-N 424.585 4.563 0 40 HJAB CC(C)Sc1nnc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)s1 224276248 HPJNPWGWXKEKPZ-UHFFFAOYSA-N 410.996 4.543 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 225155821 YOEDWIOBIRGMCT-DEOSSOPVSA-N 424.585 4.831 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 225167886 JIMSKMOAYNFQBX-LJQANCHMSA-N 414.977 4.833 0 40 HJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225324456 XDOOVGBLLSLNQW-MRXNPFEDSA-N 403.891 4.663 0 40 HJAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCc2ccc(OC(C)C)cc2)c1 225569408 AYSDFPKHNNCKPO-UHFFFAOYSA-N 414.571 4.878 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 225585024 WAOURDILXLJVAN-AVRDEDQJSA-N 414.977 4.913 0 40 HJAB O=C(Cc1cccc(Br)c1)Nc1ccccc1C(=O)NCc1ccccc1 225614756 USASGWMWHRTLTO-UHFFFAOYSA-N 423.310 4.560 0 40 HJAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2cccnc2)cc1 240067717 RZVWGTYZSLYWKF-URXFXBBRSA-N 401.466 4.731 0 40 HJAB O=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1ccccc1OC(F)(F)F 390831313 RERGWVUHFZFAJM-HNNXBMFYSA-N 419.471 4.776 0 40 HJAB Fc1ccccc1N1CCN(C(=S)c2ccccc2OCc2ccccc2)CC1 408576742 QUHVNGQCLNZUNM-UHFFFAOYSA-N 406.526 4.902 0 40 HJAB CCOc1cc(/C=C/C(=O)Nc2ccc(Oc3cccc(OC)c3)nc2)ccc1OC 408603804 GBAAFDXTMZNBIW-FMIVXFBMSA-N 420.465 4.942 0 40 HJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 408913354 SYWJFAOQSYQGRM-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 409005470 DUXCJFXBXMRMTD-DNVCBOLYSA-N 411.527 4.589 0 40 HJAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCCC[C@@H]2C)cc1 409199373 CIBRZMOOAIPQOV-IBGZPJMESA-N 420.582 4.660 0 40 HJAB Cc1cccc([C@@H](NC(=O)N2CCC3(CC2)OCc2ccccc23)c2ccccn2)c1 677989886 NXSFFIDLWMPRAM-XMMPIXPASA-N 413.521 4.711 0 40 HJAB 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]3CC[C@]21C 2061000372 GRQROVWZGGDYSW-LJAPMSMJSA-N 406.607 4.566 0 40 HJAB CN(Cc1ccccc1)C(=O)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 709168 SSCYQUITHMYSFI-DOTOQJQBSA-N 420.460 4.877 0 40 HJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)c3ccncc3)cc2)cc1C(C)C 1431668 ZKLKHGZMYVQJRW-UHFFFAOYSA-N 424.522 4.554 0 40 HJAB CCCCCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2359198 VCSBYHRLMQSFMR-UHFFFAOYSA-N 402.498 4.952 0 40 HJAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](/C(Br)=C/c2ccccc2)N3)C1 3228913 GIHBWWLOIRVEPK-ONZQWPQYSA-N 403.345 4.790 0 40 HJAB CCN(CC)c1ccc(C(=O)NC(=S)/C=C2/N(C)c3ccccc3C2(C)C)cc1 3256494 NCUXNMFGRLOXLU-LTGZKZEYSA-N 407.583 4.902 0 40 HJAB COc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2c(Cl)cc(Cl)cc23)cc1OC 4852945 KZKFRZILAQMAET-LIRRHRJNSA-N 409.269 4.780 0 40 HJAB Cc1ccc(CN(C)C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c(C)c1 5259850 OFZKWDHLLDUMRS-UHFFFAOYSA-N 406.555 4.512 0 40 HJAB Cc1cccc(NC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)c1 5305485 YDMLVHHAWQEPHR-UHFFFAOYSA-N 403.869 4.659 0 40 HJAB Cc1ccc(O)c(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(Cc2ccco2)C3=O)c1 6753261 KCGNWMHNDRLLNS-JOCHJYFZSA-N 403.413 4.568 0 40 HJAB aggregator O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(N2CCCC2)cc1 7360321 WUUQCVMETBGYRC-HXUWFJFHSA-N 406.555 4.672 0 40 HJAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1cccc(Cl)c1Cl 7798925 SQPNLYJXOHRDPG-UHFFFAOYSA-N 404.282 4.544 0 40 HJAB CCc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 8086757 IPACTUABDSATSV-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB Cc1ccc(Nc2nc(CSc3nnc(-c4cccs4)n3N)cs2)cc1 8392518 FQRBOZJLBFQKHW-UHFFFAOYSA-N 400.558 4.521 0 40 HJAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCCCCC1)c1cccc2ccccc12 8901501 ITRCYOHSZMZOPW-NRFANRHFSA-N 414.596 4.797 0 40 HJAB O=C(Cc1ccc2c(c1)OCO2)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 9521247 MHXYEOYORZLWIZ-UHFFFAOYSA-N 404.447 4.579 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2C)cc1 10112458 NHXCJPJXQDTTRP-SFHVURJKSA-N 420.534 4.696 0 40 HJAB COc1ccc2nc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)sc2c1 10381579 CQMPBDVNYILUFT-SOFGYWHQSA-N 424.551 4.700 0 40 HJAB CCCn1c(S[C@H](C)C(=O)Nc2cc(C)on2)nc2ccc(C(F)(F)F)cc21 11021889 OFLXYSJPERVJEV-LLVKDONJSA-N 412.437 4.881 0 40 HJAB Cc1ccc(CSc2nc(-c3ccc(C)cc3)cc(N3CCN(C)CC3)n2)cc1 12016184 UMXTVUGSVZNDOL-UHFFFAOYSA-N 404.583 4.805 0 40 HJAB Cc1cc(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(C)n1C[C@@H]1CCCO1 12533396 PLBKICGTBFIHNH-HNNXBMFYSA-N 403.935 4.789 0 40 HJAB CCOc1ccc(-n2c(S[C@H](C)C(=O)NC3CCCC3)nc3ccccc32)cc1 12542743 IPUPWAVLMYRWEZ-MRXNPFEDSA-N 409.555 4.964 0 40 HJAB C[C@@H]1C[C@H](Sc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)C(=O)O1 12551375 ZQKCLZOGFKLWBB-PXAZEXFGSA-N 406.429 4.900 0 40 HJAB O=C(CCc1nc2ccccc2s1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12911925 KEVZPIWGGALXSK-SFHVURJKSA-N 408.523 4.754 0 40 HJAB Cc1cc(/C=C/C(=O)NCc2ccc(OC(F)F)cc2)c(C)n1Cc1ccco1 12913953 NZRRMQPGERISHN-JXMROGBWSA-N 400.425 4.677 0 40 HJAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(-c2ccccc2)nc2ccccc12 12916761 UERQXMAAGIIAAU-UHFFFAOYSA-N 413.452 4.752 0 40 HJAB COc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)cc1 12935568 FIDPIOZULLQOGT-WJDWOHSUSA-N 401.875 4.545 0 40 HJAB CC(C)NC(=O)CC1(C(=O)Nc2ccc(Br)cc2Cl)CCCC1 14245373 PSKRKIRNOKDVAY-UHFFFAOYSA-N 401.732 4.516 0 40 HJAB COP(=O)(OC)c1nc(Cc2ccc(Cl)cc2)oc1NCc1ccc(F)cc1 16751441 IHLBNYWURZUMJN-UHFFFAOYSA-N 424.796 4.781 0 40 HJAB COc1ccc(N2CCn3c(SCc4cccc(C(F)(F)F)c4)nnc32)cc1 16954019 VAWWMKWULWHNAF-UHFFFAOYSA-N 406.433 4.750 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3ccc(OC)c(Br)c3)n2)cc1 17091762 GYQIJAZZCDRLTM-UHFFFAOYSA-N 419.300 4.842 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)C[C@@H]3C=CCC3)C1)N2 19083992 HAQMRQRPPZVMPP-ZJPYXAASSA-N 420.548 4.766 0 40 HJAB COc1ccc([C@@H]2CN(C(=O)C3CCC3)[C@H]3CCN(Cc4ccccc4C)C[C@H]32)cc1 19237251 DGZFDGCITRLPPA-GSDHBNRESA-N 418.581 4.620 0 40 HJAB CNc1cc(C(=O)N2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)ccn1 19690375 CXNVSYYJXKHHJX-HXUWFJFHSA-N 420.944 4.782 0 40 HJAB C[C@@H](Oc1ccccc1)c1nc2ccccc2n1C[C@H](O)COCc1cccs1 22081429 XBVOBIKFYNGXKR-MSOLQXFVSA-N 408.523 4.816 0 40 HJAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 22525199 VCRCJCJAVPMKOY-DEOSSOPVSA-N 405.586 4.634 0 40 HJAB CC(C)c1noc(CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)n1 29137477 LQRZGTLXKVXRFJ-UHFFFAOYSA-N 409.056 4.603 0 40 HJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1nnc(SCc2ccccc2)s1 31892086 LAQVBZPGJIQUSK-GFCCVEGCSA-N 405.932 4.890 0 40 HJAB COc1cccc(C(=O)Nc2c(C)nn(COc3cccc(C(F)(F)F)c3)c2C)c1 32609860 HRYYYNZMVFEJGO-UHFFFAOYSA-N 419.403 4.816 0 40 HJAB CCc1ccc(NC(=O)c2sc3ncn(CCc4ccccc4)c(=O)c3c2C)cc1 35672019 QILIHLLZPFWDGQ-UHFFFAOYSA-N 417.534 4.824 0 40 HJAB CCn1cc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3CC)c(C)n1 36613304 CGXHWIGULUYYDI-UHFFFAOYSA-N 402.502 4.512 0 40 HJAB CCc1cc(C(=O)N(C)c2ccccc2)c2c(C)nn(-c3ccc(OC)cc3)c2n1 36621675 YLOJJAMUIPXAPW-UHFFFAOYSA-N 400.482 4.577 0 40 HJAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 36837503 ZZSVRUKSOYPZKI-CJNGLKHVSA-N 412.795 4.528 0 40 HJAB CCOc1ccccc1NC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 38678236 MRGJCBBWFKAHKO-UHFFFAOYSA-N 415.493 4.928 0 40 HJAB O=C(CSCc1coc(-c2ccccc2)n1)Oc1ccccc1Br 40141068 PZEGSKWIDTWKOO-UHFFFAOYSA-N 404.285 4.943 0 40 HJAB Cn1c(C(=O)Nc2nc3c(s2)CCCCC3)c(Br)c2ccccc21 48272197 NLQUGIZOZLPZTN-UHFFFAOYSA-N 404.333 4.919 0 40 HJAB COc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3nc(C)ccc23)cc1Cl 49004661 NBRZSJQSQCGWMJ-UHFFFAOYSA-N 410.905 4.970 0 40 HJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5nsnc5c4)cc3n2)cc1 57313161 CUHXZOGWVXWFPX-UHFFFAOYSA-N 414.494 4.548 0 40 HJAB CS(=O)(=O)c1ccc(O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 57652150 WHCPUBYWGPKQCY-HSZRJFAPSA-N 405.475 4.574 0 40 HJAB Cc1ccccc1NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccc(F)c2)c1 68732638 QEXSDKURXGEPOU-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Cc1cccnc1Nc1cncc([C@H]2CCCN2Cc2cn(C)c3ccc(F)cc23)n1 72376420 CPOQGWDQNHFFAX-JOCHJYFZSA-N 416.504 4.892 0 40 HJAB O=C(c1ccc2ncsc2c1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177421 DWSLLCJHILLREN-AWEZNQCLSA-N 424.526 4.974 0 40 HJAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102702860 XDFUWSLMORUIPV-TZRRMPRUSA-N 412.489 4.663 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3Cl)o2)cc1C 216031612 XGKDQZXZPRPOHQ-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 222927625 PTCYVEFFDNDNHS-SFHVURJKSA-N 414.977 4.949 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 223127540 XIRRPGNQZAPMAL-JOCHJYFZSA-N 424.585 4.796 0 40 HJAB C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc2c(c1)CCC2 223205385 FMFAOXHPDJHTBH-GFCCVEGCSA-N 408.723 4.847 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 223643579 VEQOXVYHZRERJS-HSZRJFAPSA-N 424.585 4.714 0 40 HJAB CC(C)(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 223717875 GGEXZHJNOMBIEG-UHFFFAOYSA-N 412.549 4.530 0 40 HJAB Cc1ccccc1CN(C(=O)CSc1ccccc1)[C@H](C)C(=O)NC1CCCC1 223757633 WRYHRBUNFLIRHZ-LJQANCHMSA-N 410.583 4.563 0 40 HJAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1C 224731039 SSXUNKAEWRYGFD-UHFFFAOYSA-N 416.521 4.547 0 40 HJAB CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1COCc1ccccc1 224745491 NQLAZPQKEGOMPF-UHFFFAOYSA-N 419.521 4.783 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)NCCSC2CCCC2)c(Br)c1 225025134 XZNRWZGBMAYDKG-UHFFFAOYSA-N 414.409 4.917 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 225091343 GJTLJGDYSDPZGQ-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB CO[C@]1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 225636761 WYOVNAMKXAJKJT-JXALWOEJSA-N 402.579 4.864 0 40 HJAB Cn1cc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c2ccccc21 408631716 BAUWWLQGQFCJHM-YVLHZVERSA-N 410.886 4.835 0 40 HJAB Cc1cc(NC(=O)Cc2cccc(OCC(F)(F)F)c2)nn1-c1ccccc1Cl 1527244955 ZKPIWCSKHOYIJX-UHFFFAOYSA-N 423.822 4.956 0 40 HJAB Cn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccc(O)cc1 899322 YCZMXPKUXBQPBN-UHFFFAOYSA-N 416.506 4.645 0 40 HJAB CC(=O)Nc1ccc(C(=O)CSc2nnc3c(C)cc4c(C)ccc(C)c4n23)cc1 929774 VWDGKIQETWURPK-UHFFFAOYSA-N 418.522 4.741 0 40 HJAB COC(Cc1nnc(SCc2ccccc2)n1-c1cccc(C(F)(F)F)c1)OC 1402418 KGTSFTGSSPQDJA-UHFFFAOYSA-N 423.460 4.740 0 40 HJAB CC[C@@H](C)COC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc12 2193454 OBCMHJMLDKZIFH-OAHLLOKOSA-N 402.498 4.726 0 40 HJAB Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1CCc1ccccc1 2264258 YCLOJMZHEAVIBO-UHFFFAOYSA-N 422.488 4.766 0 40 HJAB CCC(CC)COC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12 2370891 JIMKNHXITRBLEB-UHFFFAOYSA-N 418.497 4.758 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4=O)cc1 2497229 JWTUGKPRERNBNS-UHFFFAOYSA-N 421.474 4.914 0 40 HJAB CCOc1ccc2nc(NC(=O)CCOc3cccc(Br)c3)sc2c1 3454473 GAZSSBCVVSIYBN-UHFFFAOYSA-N 421.316 4.865 0 40 HJAB Cc1nc(C)c(-c2ccc(SCC(=O)Nc3nc4ccccc4s3)nn2)s1 4358356 BNKDUEQPUMFMSA-UHFFFAOYSA-N 413.553 4.557 0 40 HJAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NCc4ccc(F)cc4)c(C)c32)c1C 4744382 YHEXGYSMJBTIHV-UHFFFAOYSA-N 407.441 4.771 0 40 HJAB CCCC(=O)Nc1ccc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 4961140 ZEAWSRUIJOCSLL-UHFFFAOYSA-N 420.538 4.858 0 40 HJAB COC(=O)c1c(COC(=O)c2cc(F)c(F)cc2Cl)nc2ccccc2c1C 6607997 HBTFBHSXNPHCJT-UHFFFAOYSA-N 405.784 4.618 0 40 HJAB O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 6881875 PIXPCEJDVGELRC-SFHVURJKSA-N 400.434 4.680 0 40 HJAB CCOc1ccccc1NC(=O)[C@@H](Sc1nnc(C2CC2)n1C)c1ccccc1 7235184 GZGOBDIMLUNHPR-IBGZPJMESA-N 408.527 4.563 0 40 HJAB COc1cc(CN(C)[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)ccc1OC(F)F 7781812 UJXTYXTURLPXFR-AWEZNQCLSA-N 403.429 4.848 0 40 HJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1 8750887 LMJSZZZOFOSMME-UHFFFAOYSA-N 412.486 4.602 0 40 HJAB O=C1N/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccccc1F 9262867 HBSULDDPRHQBEE-FYJGNVAPSA-N 420.415 4.637 0 40 HJAB Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1Br 9614790 OTOIVTKXAUVTJQ-UHFFFAOYSA-N 422.735 4.873 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccccc4)cc(=O)c3c2)c1 9660150 HRUURCGZWAMXPQ-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB biogenic CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 10253410 UQGFOSHBGBXTMS-UHFFFAOYSA-N 419.506 4.664 0 40 HJAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cccc2ccccc12)S(C)(=O)=O 10359803 FHBUWBCPQOZSAT-OAHLLOKOSA-N 416.930 4.595 0 40 HJAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 12293638 NPNNXCGYPNRXQH-UXHICEINSA-N 422.352 4.686 0 40 HJAB O=C(CCN1c2cccc3cccc(c23)S1(=O)=O)Nc1cc(Cl)ccc1Cl 12750707 KFVBMVITQVYSJA-UHFFFAOYSA-N 421.305 4.684 0 40 HJAB Cc1cccc(NC(=O)CN(C)CCC(=O)Nc2c(Cl)cccc2Cl)c1C 12762930 RBAZGRIFDOGNPR-UHFFFAOYSA-N 408.329 4.509 0 40 HJAB Cc1ccc([C@@H](NC(=O)CCc2nnc(-c3ccsc3)o2)c2ccccc2)cc1 12913688 CJCMAXWYBUWYAL-QFIPXVFZSA-N 403.507 4.945 0 40 HJAB COc1cn(CC(=O)Nc2cc(C)cc(C)c2)c(CSc2ccc(C)cc2)cc1=O 15824755 UFDIKTZKNHMFER-UHFFFAOYSA-N 422.550 4.713 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)c4c(C)nn(C(C)=O)c4C[C@H]32)C1 16029220 DLCTVKXJNPOKCT-IWBJTSIOSA-N 412.574 4.840 0 40 HJAB COc1ccc(CN(Cc2cccnc2)Cc2ccccc2F)cc1Cn1cccn1 19559430 DCKPZEBDTBQCNG-UHFFFAOYSA-N 416.500 4.677 0 40 HJAB Cc1noc2nc([C@H]3CCCN(C(=O)c4cc(C(C)C)no4)C3)cc(C(F)(F)F)c12 19564081 KVUOMLPMRYHFHH-LBPRGKRZSA-N 422.407 4.681 0 40 HJAB COc1ccc(-c2nc(C(=O)Nc3ccccc3Cn3ccnc3C)cs2)cc1 19717290 OUAXGHKQNDCRTN-UHFFFAOYSA-N 404.495 4.624 0 40 HJAB Cc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C3CCCCC3)CC2)cc1 20121607 ZKCFCARIMYYOFO-XMMPIXPASA-N 422.621 4.526 0 40 HJAB CCN(CC)C(=O)c1ccccc1NC(=O)CSCc1c(F)cccc1Cl 20242013 IKXIRTZXQGPHBW-UHFFFAOYSA-N 408.926 4.833 0 40 HJAB CCOc1ccc(CCNC(=O)c2cccnc2Nc2ccccc2C)cc1OCC 22072024 KMEFDZBQNWMVJN-UHFFFAOYSA-N 419.525 4.904 0 40 HJAB Cc1ccc2nc(SCc3csc(NC(=O)c4ccccc4C(=O)O)n3)[nH]c2c1 26511776 PYLQZOUGQDTYBN-UHFFFAOYSA-N 424.507 4.571 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-n2cccc2)cc1 27526606 ZYGBGRMEZMYLQU-UHFFFAOYSA-N 423.929 4.751 0 40 HJAB Cn1c(=O)n(C)c2cc(Sc3ccc(Cl)cc3)c(NC(=O)C(C)(C)C)cc21 28049057 XGZLZZYMEGKIHM-UHFFFAOYSA-N 403.935 4.666 0 40 HJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 28189583 NHWFZUVXYDNXMD-ZDUSSCGKSA-N 405.907 4.576 0 40 HJAB COc1ccc([C@@H]2SCCN2C(=O)Nc2ccc(F)cc2)cc1Br 28232305 OCPKSKAGLQDCPL-INIZCTEOSA-N 411.296 4.876 0 40 HJAB Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1)C(C)C 30117234 RJGZZCRQBHNQOL-DNVCBOLYSA-N 406.448 4.646 0 40 HJAB COc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)C2CC2)cc1 31705529 GNAVNEDMFKZMAU-CYBMUJFWSA-N 422.294 4.555 0 40 HJAB COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccccc4C)cc3)n2)cc1 33318106 WRHKRHAYQOCKMR-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB Cc1ccc(OCc2nc(-c3ccccc3OCC(=O)Nc3ccccc3)no2)cc1 33324952 HLDNNJWZGDTDEP-UHFFFAOYSA-N 415.449 4.642 0 40 HJAB CC(C)N1C[C@H](C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)CC1=O 35322741 WREHLIJKPFARJR-CYBMUJFWSA-N 413.930 4.812 0 40 HJAB CC[C@H](NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)c1ccc(OC)cc1 36617007 VBXVQPIKVXEKSQ-SFHVURJKSA-N 420.538 4.895 0 40 HJAB Cc1ccccc1CN1CCC(C(=O)NCc2cccc(CN3CCCCC3)c2)CC1 38831208 KMBSFTNQCSRUAO-UHFFFAOYSA-N 419.613 4.509 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 39995508 XZDUQURHDDWFBX-HXUWFJFHSA-N 417.431 4.674 0 40 HJAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1c(Cl)nc2ccccn12 45058633 LUERCHAVAKKHOT-UHFFFAOYSA-N 403.294 4.941 0 40 HJAB O=C(c1ccc(Cl)cc1)C1CCN(C(=O)NCc2nc3ccccc3s2)CC1 50096011 VQDAKHWCWLBPFY-UHFFFAOYSA-N 413.930 4.754 0 40 HJAB CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C 57425999 BTUCAEBNZKNXFD-UHFFFAOYSA-N 415.584 4.797 0 40 HJAB CCCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2ccsc2c1=O 57478649 WOGPYNBIZGAVCE-UHFFFAOYSA-N 407.948 4.642 0 40 HJAB COc1ccccc1/C=C1/SC(=O)N(CNc2ccccc2Br)C1=O 59457372 KGILTCBVAGCJNS-MHWRWJLKSA-N 419.300 4.564 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(F)c(C)c3)oc12 67293631 TWQDFCNZSXSBEL-RWEWTDSWSA-N 403.413 4.769 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2cc(C(C)C)no2)n1 72390649 QTIYRRANRLTQCD-FQEVSTJZSA-N 419.529 4.970 0 40 HJAB O=C(O)c1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 89780876 VRAYFZFANWVBOU-UHFFFAOYSA-N 415.371 4.719 0 40 HJAB CCOc1cc2c(cc1/C=C1/CCn3c1nc1cc(Cl)ccc1c3=O)O[C@H](C)C2 96759092 UBIXQRATYLOLAA-CKXDQPNJSA-N 408.885 4.716 0 40 HJAB O=C1[C@H](Nc2ccc(OCc3ccccn3)c(Cl)c2)CCN1c1ccccc1F 97570501 NRFGINWVVYGDLS-LJQANCHMSA-N 411.864 4.671 0 40 HJAB CC(C)(C)C(=O)N[C@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)[C@H]2CC=CCC2)CC1 100223457 ZTIVXWUJYHWWEH-RDGPPVDQSA-N 417.619 4.625 0 40 HJAB C[C@@H](NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 108859000 HZWNNSKPSQWJKP-DFEOGRTESA-N 418.493 4.593 0 40 HJAB Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1C 210246792 TXXYVXISRGRKSO-HSZRJFAPSA-N 402.494 4.780 0 40 HJAB CC[C@H](C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1)c1ccccc1 220689546 KQWLVGBLFFFMST-MJGOQNOKSA-N 407.489 4.851 0 40 HJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCSc1ccccc1 223089273 WSUIMXCQNSUMFZ-ROUUACIJSA-N 416.562 4.640 0 40 HJAB COc1ccc(-c2ncc(C(=O)NCc3ccc(Cl)cc3Cl)c(C)n2)cc1 223138618 ZGPBPJZRFIDHMN-UHFFFAOYSA-N 402.281 4.697 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2C)cc1 224057100 ABHGBLFEIHWUFK-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CCCCOCc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1OC 224443930 HHAITKFKANTOND-UHFFFAOYSA-N 410.558 4.591 0 40 HJAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(CN2CCCCCC2)cc1 225198762 WILJXTHUFMUOSR-UHFFFAOYSA-N 406.570 4.541 0 40 HJAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 225398115 WTMVIVLANARZOX-KRWDZBQOSA-N 414.977 4.733 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(OC)c2ncccc12 225689122 FSDPLSQXDXTDLQ-GOSISDBHSA-N 423.538 4.841 0 40 HJAB Cc1ccccc1C(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(Br)c1 226356452 ALFMPOUSMUAGSO-UHFFFAOYSA-N 400.228 4.968 0 40 HJAB Cc1nn(CCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(C)c1-c1ccccc1 238870710 MVFMQRFDJUOIFS-UHFFFAOYSA-N 423.516 4.828 0 40 HJAB Cc1ccccc1-c1ccccc1CC1(C(N)=O)CCN(C(=O)CC(C)(C)C)CC1 257217562 CZMQXBLAANSRJO-UHFFFAOYSA-N 406.570 4.735 0 40 HJAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)Cc3ccccc3OC)o2)c1 257236230 HBHHWWDHVKKYNX-QFIPXVFZSA-N 420.509 4.579 0 40 HJAB CCOc1ccccc1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408675621 JUPAEPXTPXGCNM-UHFFFAOYSA-N 402.425 4.966 0 40 HJAB COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3c4ccccc4C[C@@H]32)cc1OC 409001942 RBQBUVHCLZLIBL-VJBMBRPKSA-N 401.462 4.873 0 40 HJAB CCCCC(=O)N1CCC[C@@]2(CCCCCCOc3ccccc3C(=O)NC2)C1 643589611 UNEBUBCQNSHDKL-XMMPIXPASA-N 400.563 4.558 0 40 HJAB CC1(C)C[C@@]2(CCCN2C(=O)c2ncccc2C(F)(F)F)CN1c1cccc(F)c1 2037988594 ZMWVHKKXNDZJPE-NRFANRHFSA-N 421.438 4.903 0 40 HJAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccccc1 909657 YEVJYPPMFSNQIY-UHFFFAOYSA-N 421.909 4.770 0 40 HJAB CCc1cccc2c(S[C@@H](C)C(=O)NC[C@@H]3CCCO3)nc(-c3ccccc3)nc12 1326142 DXBSMZQTBZTELF-LPHOPBHVSA-N 421.566 4.635 0 40 HJAB Cc1[nH]c2c(Br)cc(F)cc2c1CCNC(=S)NC1CCCCC1 1410393 YNBZPCIOOBSOJD-UHFFFAOYSA-N 412.372 4.717 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(Cl)cc1)N(C[C@H]1CCCO1)C3=O 2440532 GHTQSABTGXKPGM-UTKZUKDTSA-N 423.896 4.787 0 40 HJAB C[C@H]1CCc2nc3ccccc3c(C(=O)O[C@@H](C)C(=O)NCCC3=CCCCC3)c2C1 2644098 IBSSVQCDZZOUOA-ROUUACIJSA-N 420.553 4.912 0 40 HJAB Cc1ccc(NC(=S)NCCCCCNC(=S)Nc2ccc(C)cc2)cc1 4080955 PPCVZXFPRGAVNG-UHFFFAOYSA-N 400.617 4.747 0 40 HJAB COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3ccc(F)cc3)c2c1 4193536 FMPHJWYZUPYHJM-UHFFFAOYSA-N 408.454 4.959 0 40 HJAB COc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)N(C(=O)C(C)(C)C)c3ncnn32)cc1 4732808 CSZNTWZPGUTEAR-SFTDATJTSA-N 404.514 4.709 0 40 HJAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCc4ccc(F)cc4)c(C)c3cc12 4743823 VXWPEAVNSONOTP-UHFFFAOYSA-N 407.441 4.853 0 40 HJAB Cc1oc2c(C)c3oc(=O)c(CC(=O)NCCc4ccccc4)c(C)c3cc2c1C 4744049 QLEGTXSPJNUUAP-UHFFFAOYSA-N 403.478 4.674 0 40 HJAB COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 5156921 IFYAVGLOSMGHLU-RDPSFJRHSA-N 400.434 4.666 0 40 HJAB COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3ccc4ccccc4c3)C2=O)cc1 6626653 QWSRCNGDMNHMRM-DEDYPNTBSA-N 403.459 4.863 0 40 HJAB COc1cccc([C@@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2cccc(C)c2)c1OC 6679112 XCFCAEKIYBVCFL-BTYIYWSLSA-N 423.538 4.670 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2ccccc2Cc2cc3ccccc3c(=O)o2)cc1 6759999 HFLPZHGYZHRANO-UHFFFAOYSA-N 412.445 4.595 0 40 HJAB Cc1cc(C(=O)COc2ccc(Br)cc2F)c(C)n1-c1nccs1 7200731 DBRMJQVDVWDVTI-UHFFFAOYSA-N 409.280 4.714 0 40 HJAB C[C@@H](NC(=O)C(=Cc1ccc(O)cc1)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 7747027 CDJILDIIGYBPDO-RTBURBONSA-N 414.505 4.530 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)/C=C/c1ccsc1)CC2 7983577 JBWHJYJMHXTKAB-HCXLOTKHSA-N 405.519 4.953 0 40 HJAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 9257564 QCYMXAZNUBDLQX-FQEVSTJZSA-N 423.513 4.915 0 40 HJAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 10253431 IQPGXDVPLMRLPU-UHFFFAOYSA-N 420.490 4.929 0 40 HJAB Cc1nc(CSc2ccccc2C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)cs1 11596192 CRHSEABAHJYKDM-KDOFPFPSSA-N 418.584 4.596 0 40 HJAB CC(C)(C)[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)cc2N1 12160772 BNYNCHGSLWBOGM-BURFUSLBSA-N 424.511 4.889 0 40 HJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCCC[C@@H]2CN2CCCCC2)s1 12238204 DQCKBWXAJGYQHI-HXUWFJFHSA-N 415.578 4.667 0 40 HJAB O=S(=O)(Nc1cccc(-c2nnc3n2CCC3)c1)c1ccc(C2CCCCC2)cc1 12630864 RKMVOMSFEIWJKN-UHFFFAOYSA-N 422.554 4.740 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 12741670 HWGRJAGAQTWFOI-LBPRGKRZSA-N 416.308 4.856 0 40 HJAB CC(C)c1ccc(-c2nc(C(=O)Nc3cc(S(C)(=O)=O)ccc3F)cs2)cc1 12897361 SGIWZUUAPHKOSQ-UHFFFAOYSA-N 418.515 4.728 0 40 HJAB O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2)c1ccco1 13127136 NEVMOMRLRQYLOS-QZTJIDSGSA-N 419.872 4.923 0 40 HJAB CC(=O)N1N=C(c2ccc(F)cc2)Sc2c1nc(C1CCCCC1)n2C(C)=O 16777911 LAFDRSOYLJISEA-UHFFFAOYSA-N 400.479 4.550 0 40 HJAB C[C@H](NC(=O)COc1ccc(N2CCCC2=O)cc1)c1ccc(-c2ccccc2)cc1 17959958 FBVWYTZHTSQYMN-IBGZPJMESA-N 414.505 4.737 0 40 HJAB COc1ccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c(OC)c1 19565041 IJQGHYIMVNBCAV-UHFFFAOYSA-N 417.456 4.866 0 40 HJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)CN(Cc3ccccc3)C4)cn2)n1 19656322 SJMIPTOSHGNQBJ-UHFFFAOYSA-N 423.520 4.652 0 40 HJAB COc1ccc(CSCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 20241976 LLSPWIZUQHBAAJ-UHFFFAOYSA-N 412.555 4.583 0 40 HJAB O[C@@H](COCc1ccccc1Cl)CN1CCC(c2nc3ccccc3s2)CC1 21275571 RPVBGIFWEUYWOT-GOSISDBHSA-N 416.974 4.707 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 26570595 UWCHXMLXDXSLPL-HBOJYENKSA-N 418.647 4.647 0 40 HJAB Cc1ccccc1[C@@H](Sc1nnc2n(C)c(=O)c3ccccc3n12)c1ccccc1 28189964 FPWDIIJLJXCNEN-NRFANRHFSA-N 412.518 4.771 0 40 HJAB Cc1ccc2nc(NC(=O)[C@@H](C)n3nc(C(F)(F)F)c(Cl)c3C)sc2c1 28231229 JTCZPZFDTCWLKA-SECBINFHSA-N 402.829 4.982 0 40 HJAB CCc1ccccc1-n1ncc2c1N=C(O)C[C@@]21C(=O)Nc2ccc(C(C)C)cc21 32092036 HHINVWHFESLTJH-DEOSSOPVSA-N 400.482 4.788 0 40 HJAB CC(C)c1noc(-c2ccc(OCC(=O)NCc3ccc(C(F)(F)F)cc3)cc2)n1 32578888 MIDSIZIITCFJEE-UHFFFAOYSA-N 419.403 4.574 0 40 HJAB COc1ccc(C(=O)CCC(=O)Nc2ccccc2Cc2ccccc2)cc1OC 32857509 BJPBKFLNMSCXRJ-UHFFFAOYSA-N 403.478 4.896 0 40 HJAB CCOC(=O)c1c(NCc2ccccc2C(F)(F)F)c2ccc(Cl)cc2[nH]c1=O 33256896 QIRNCYNGHDHVGA-UHFFFAOYSA-N 424.806 4.989 0 40 HJAB COC(=O)c1cnc(NC(=O)Cc2c(-c3ccccc3)nc3ccccc3c2C)s1 40131969 HLGWNFBCTSJQEZ-UHFFFAOYSA-N 417.490 4.635 0 40 HJAB CC[C@@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1 40141236 XEOFVTWKGATFJN-HSZRJFAPSA-N 407.535 4.850 0 40 HJAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(-c4cn5c(n4)CCCC5)cc3)cc2NC1=O 40156294 HIOJZDWSJFRWPH-AWEZNQCLSA-N 418.522 4.571 0 40 HJAB CN(C(=O)CSCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1 45023903 TUDAAVZQBZJWQB-UHFFFAOYSA-N 407.417 4.652 0 40 HJAB CCn1c(S[C@H](C(=O)N(C)c2ccccc2)C(C)C)nnc1-c1ccccc1OC 48324330 VQZGDWYFKSBYCT-FQEVSTJZSA-N 424.570 4.753 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC(F)(F)F)o2)cc1 48513647 DHMQOXAQYZLLGH-UHFFFAOYSA-N 409.389 4.674 0 40 HJAB O=C(/C=C/c1ccsc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 60781177 AXQGSTLVRJICNO-BCTAIJSYSA-N 418.927 4.854 0 40 HJAB Cc1cc(SCC(=O)N[C@@H](C)CCc2ccccc2)nc(-c2ccc(F)cc2)n1 67257206 OQSHMFOAUAGWTK-INIZCTEOSA-N 409.530 4.821 0 40 HJAB CC(C)(C)c1ccc(Cn2c(=O)n(-c3cccc(F)c3)c(=O)c3sccc32)cc1 67258258 YXGHWTQDTXWKKO-UHFFFAOYSA-N 408.498 4.699 0 40 HJAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)c(F)c1 67297976 HOCOUABXRZJGEJ-RWEWTDSWSA-N 403.413 4.774 0 40 HJAB CCN(C[C@H]1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1)CC(F)(F)F 72311398 QLLSEGIXLRNQTN-QGZVFWFLSA-N 408.464 4.612 0 40 HJAB CC(=O)Nc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 72348666 UDSKQUVSIJIUSG-FQEVSTJZSA-N 417.484 4.866 0 40 HJAB O=S(=O)(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc2c(c1)OCCO2 89878636 XIHQJOPQBROTGB-UHFFFAOYSA-N 424.503 4.535 0 40 HJAB O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1cccc(Oc2cnccn2)c1 95454525 FSQBQVJICNWIBZ-UHFFFAOYSA-N 410.282 4.518 0 40 HJAB CC(C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl 222757715 QCSDCRVBZDQGGL-OAHLLOKOSA-N 407.341 4.683 0 40 HJAB CCOc1ccc(C(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1Cl 223196492 VVOKIZCHODZSLQ-UHFFFAOYSA-N 406.269 4.714 0 40 HJAB COC(=O)c1ccc(NC2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 223414426 UNXGGBLPAOUDDT-UHFFFAOYSA-N 422.934 4.672 0 40 HJAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 224421265 QIDJHKLAOMCCMX-FGZHOGPDSA-N 415.497 4.584 0 40 HJAB CC[C@@H]1N=C(c2ccc(OC)c(OC)c2)c2cccn2-c2cc(OC)c(OC)cc21 225378033 NGGWPJVWKIODAK-KRWDZBQOSA-N 406.482 4.814 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCC[C@@H](C)C1 225715463 UXCNADATRPJALY-HYBUGGRVSA-N 402.579 4.865 0 40 HJAB O=C(NCc1ccc(Cl)cc1)c1snnc1-c1ccc(Br)cc1 225782415 CXKIVNSXTFHBCI-UHFFFAOYSA-N 408.708 4.551 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257332543 XXTYRKZRTZMINQ-HXUWFJFHSA-N 414.864 4.800 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)cc1Cl 408564301 VGRYWGNPCVLUAN-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1OC 409009223 CBIKFRUOLLTHCV-VVBXCHJUSA-N 400.862 4.623 0 40 HJAB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC 409095473 CRVCJAIPRDYSNO-CXUHLZMHSA-N 421.280 4.888 0 40 HJAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccccc3)o2)C1=O 409212689 RXKLJDVJOHMIAA-RERGGYADSA-N 417.508 4.809 0 40 HJAB O=C(CC(F)(F)F)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585262792 GKZKUPZTOBQETN-CYBMUJFWSA-N 422.838 4.708 0 40 HJAB Cc1cc(Nc2nc(C)c(C)s2)nc([C@H]2CCCCN2C(=O)/C=C/c2ccco2)n1 585292607 PPUZDGNOASVJHS-QZEKMECESA-N 423.542 4.962 0 40 HJAB COc1cc(/C=C2/N=C(c3cccs3)OC2=O)ccc1OCc1ccccc1C 835791 UYIVXYPSXUQQKD-LDADJPATSA-N 405.475 4.989 0 40 HJAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccccc1 900672 UVQAVUWBYZKZSA-NQIIRXRSSA-N 420.582 4.780 0 40 HJAB COc1ccc(C)cc1NC(=O)CSc1nnc2c(C)cc3c(C)ccc(C)c3n12 929716 JMJHHNYEUXHPFH-UHFFFAOYSA-N 420.538 4.856 0 40 HJAB CCOc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1O 980648 ZXSPJNCHMLHFEZ-RQZCQDPDSA-N 407.850 4.820 0 40 HJAB Cc1cc(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c2c(C)c(C)c(=O)oc2c1 2091753 PTWHYUUSDAANAC-INIZCTEOSA-N 417.502 4.563 0 40 HJAB biogenic COc1ccc(CSc2nnc(-c3ccccn3)n2-c2ccc(OC)cc2)cc1 2354952 OIHUGNWAKHRERN-UHFFFAOYSA-N 404.495 4.639 0 40 HJAB Cc1cc(C)cc(-n2cc3c(c2-c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n3C)c1 2435223 VZDFWEBQUZTIKU-UHFFFAOYSA-N 415.537 4.609 0 40 HJAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)C1 2621930 BVUNBMMZCPZZDS-HZPDHXFCSA-N 408.523 4.625 0 40 HJAB CCOC(=O)c1c(C)n(C)c2cc(Br)c(OC(=O)c3ccccc3)cc12 3087187 VRPNPHHCKPJOMH-UHFFFAOYSA-N 416.271 4.645 0 40 HJAB biogenic Cc1cccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 3219403 FUSONNHXTAWLSL-UHFFFAOYSA-N 407.853 4.675 0 40 HJAB O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)c1ccc(Cl)s1 3322907 JEDOHCVHSAUHHE-UHFFFAOYSA-N 400.312 4.727 0 40 HJAB COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NC(=O)c1ccccc1Cl 3652334 OLNBVMRXHYWTLJ-UHFFFAOYSA-N 419.868 4.515 0 40 HJAB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=N)NC2=O)c(C)c1 3852086 YWCQBAKHQPYXDP-MOSHPQCFSA-N 418.522 4.775 0 40 HJAB COc1ccc(C(c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)cc1OC 4428321 RNQOVAGRSMEMIX-UHFFFAOYSA-N 424.493 4.918 0 40 HJAB CC(C)(C)C(=O)NCCc1nc2ccccc2n1CCOc1cccc2ccccc12 4908464 URLBDTIZUVLMLM-UHFFFAOYSA-N 415.537 4.973 0 40 HJAB CCOc1cc(C(=O)N[C@@H]2CCSc3ccccc32)cc(OCC)c1OCC 5176801 KVPXFNDHRULVDF-QGZVFWFLSA-N 401.528 4.850 0 40 HJAB CCc1ccc2[nH]c3nc(SCc4nnc(-c5ccc(C)cc5)o4)nnc3c2c1 5444985 RYIZJQBSYSTVIN-UHFFFAOYSA-N 402.483 4.719 0 40 HJAB CCOc1ccccc1-c1noc(CSc2nnc(C)n2-c2ccc(CC)cc2)n1 6225531 MLOUITPGBHLJQR-UHFFFAOYSA-N 421.526 4.879 0 40 HJAB Cc1ccc(Cn2nc(C)c3cc(C(=O)Nc4ccc5c(c4)OCO5)sc32)cc1 6335961 ZVPNLPJKSTYDQU-UHFFFAOYSA-N 405.479 4.744 0 40 HJAB O=C(COc1ccccc1C(=O)Nc1ccccc1)N[C@@H]1CCCc2ccccc21 6460939 MCAWZHDIQUXZFB-JOCHJYFZSA-N 400.478 4.512 0 40 HJAB O=S(=O)(NC[C@H](Nc1ccccc1F)c1ccccc1)c1ccc(Cl)s1 6600120 RHICNKUSQAJTFC-INIZCTEOSA-N 410.923 4.672 0 40 HJAB COc1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)cc1 6642420 XAXWXKBSOOOXDQ-URPVNOKNSA-N 421.537 4.612 0 40 HJAB biogenic CCc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1 6732804 BJGLAWJOOIFBHD-LJQANCHMSA-N 402.475 4.870 0 40 HJAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1cccnc1 6744570 GYUZRVFNZZRHOE-JOCHJYFZSA-N 416.868 4.576 0 40 HJAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nnnn2C2CCCC2)cs1 8341671 HVXZZNDQCZKHKW-UHFFFAOYSA-N 414.560 4.530 0 40 HJAB Cc1csc(SCC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)n1 8505599 LEEBJDITCAKGID-UHFFFAOYSA-N 401.488 4.574 0 40 HJAB CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccc(OC)cc4)=NN3C(C)=O)cc2c1 8769997 WCBKHWJTQRKNIX-JOCHJYFZSA-N 423.900 4.993 0 40 HJAB COc1cccc(C(=O)c2c(N)c(C(=O)Nc3cc(C)ccc3C)c3ccccn23)c1 9316594 OCFWUNLYTVLJIT-UHFFFAOYSA-N 413.477 4.630 0 40 HJAB CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1 9593414 MKHYSQXSYRUQLO-NRFANRHFSA-N 419.408 4.669 0 40 HJAB CC(C)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)n2nnnc2N3)cc1 10337008 POKUNDDUCOLHGT-RPWUZVMVSA-N 422.492 4.751 0 40 HJAB CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)CC1=O 10462123 NHQODFWTRKYTQC-HXUWFJFHSA-N 421.541 4.649 0 40 HJAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(N2CCCC2=O)cc1 10949591 DFHBXLFRVWFPAS-UHFFFAOYSA-N 409.338 4.992 0 40 HJAB COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)N1CCC(C)CC1 11905337 ARHGKSMRRXZRQJ-JOCHJYFZSA-N 419.525 4.553 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc3ccccc3c(=O)s2)sc2c1CCCC2 12274407 TVKIWTKQTCKXLD-UHFFFAOYSA-N 413.520 4.631 0 40 HJAB CCCCN1CN=C(SCC(=O)Nc2ccc(F)cc2)N(c2ccc(F)cc2)C1 12420055 HZBPAYBYRWUERY-UHFFFAOYSA-N 418.513 4.530 0 40 HJAB CN(Cc1ccccc1Cl)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 12535049 MJDFTEWPWBNNHQ-UHFFFAOYSA-N 405.885 4.839 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)nc2ccccc21 12539630 VDWCKEWSDIZNDK-UHFFFAOYSA-N 419.453 4.745 0 40 HJAB COc1ccccc1[C@H](NC(=O)c1oc2c(Cl)cccc2c1C)c1nccn1C 12602009 DDVRQBNNWJHXDD-SFHVURJKSA-N 409.873 4.656 0 40 HJAB COc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3Cl)cs2)cc1OC 12971699 ZYNWIWDHEBVYRU-UHFFFAOYSA-N 402.903 4.753 0 40 HJAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1cccc(Br)c1 12981725 AEEOFCFTJDDJHX-LJQANCHMSA-N 419.319 4.967 0 40 HJAB COc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc(Cl)c1OC(C)C 13057988 OAQYQKRJQLLYCB-UHFFFAOYSA-N 416.949 4.715 0 40 HJAB COc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2ccccc2F)cc1 13564603 NRPBNVRHZIWEJM-MRXNPFEDSA-N 403.457 4.723 0 40 HJAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 13714142 SDDQTXOTPCUUTQ-UHFFFAOYSA-N 402.494 4.656 0 40 HJAB O=C(NC1(CCc2ccc(NC(=O)C3CC3)nc2)CCCCC1)c1ccccc1F 19347746 LHYYBCMGEUZYGF-UHFFFAOYSA-N 409.505 4.635 0 40 HJAB O=C(Cc1ccc(Br)cc1)Nc1cc(C(=O)O)c(Cl)cc1Cl 20137172 HIOFBHNGHHFWKW-UHFFFAOYSA-N 403.059 4.635 0 40 HJAB Cc1ccccc1C(=O)Nc1ccc(OCC(=O)O)c(-c2nc3ccccc3s2)c1 20157807 LPSZRZYSGJMFBI-UHFFFAOYSA-N 418.474 4.987 0 40 HJAB Cc1ccc([C@](O)(CCNC(=O)N(C)Cc2ccc3ccccc3c2)C(F)(F)F)o1 23143540 CAGUGADOZZSTRR-OAQYLSRUSA-N 420.431 4.723 0 40 HJAB CC(=O)c1c(C)cc(C)c(COC(=O)CCn2c(=O)oc3cc(Cl)ccc32)c1C 28175466 ZOKISWZDSWKAJO-UHFFFAOYSA-N 415.873 4.509 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)N(C)C)cc1 28287539 AAPVZEBEKCXEHP-QGZVFWFLSA-N 402.947 4.904 0 40 HJAB CC(C)(C)c1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCCC2)cc1 28291397 FFVSTIWPBQSPFY-QFIPXVFZSA-N 418.537 4.657 0 40 HJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(OC[C@H]2CCCO2)c1 31265803 GEFJKWLVIHELHS-GOSISDBHSA-N 400.525 4.611 0 40 HJAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 32744789 UUNKZYYCZISEEA-UHFFFAOYSA-N 402.466 4.844 0 40 HJAB CCN1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c(C)c2)CC1 32978529 GHULXHNGIQTIAH-UHFFFAOYSA-N 415.965 4.586 0 40 HJAB O=C(Cc1ccc(Br)cc1)Nc1ccc(O)c(-c2nc3cnccc3o2)c1 36359107 CRYSZTNHYLSKFH-UHFFFAOYSA-N 424.254 4.539 0 40 HJAB C[C@@H](NC(=O)c1nnn(-c2ccccc2Cl)c1-c1ccncc1)c1ccc(F)cc1 38487889 BOTZCFMRLWGLDV-CQSZACIVSA-N 421.863 4.613 0 40 HJAB CC(C)c1ccc(OCCOC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)cc1 40373299 ZGNZMDOPVYOQCZ-VWLOTQADSA-N 411.586 4.521 0 40 HJAB Cc1ccccc1OC[C@H](C)NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 44852597 WLLMAPLWUHCYSV-KRWDZBQOSA-N 418.940 4.583 0 40 HJAB O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)c1ccccc1Br 59475018 YFTYYUGMWZTFDF-UHFFFAOYSA-N 413.300 4.625 0 40 HJAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(Cc1cccnc1)C[C@@H]1CCCO1 59786841 PXRZOJFDKILXRF-CPJSRVTESA-N 416.521 4.724 0 40 HJAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)cc1 60368728 OUZRLVRHFOUSMK-UHFFFAOYSA-N 420.513 4.768 0 40 HJAB COc1ccccc1-c1noc(-c2nn(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)n1 64950029 CTCVAFUIUJETQN-UHFFFAOYSA-N 424.460 4.728 0 40 HJAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc1OC 67296707 NAROPGQGANUFNG-LCUIJRPUSA-N 415.449 4.638 0 40 HJAB O=C(C1CC1)N1CCCCC[C@@H]1C1CCN(Cc2ccccc2Br)CC1 70040910 FUKFDNWVUQHSMQ-OAQYLSRUSA-N 419.407 4.842 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N(C(C)C)C(C)C)nc2)cc1 72212966 VBRNSTLEVZCAMN-NRFANRHFSA-N 401.576 4.539 0 40 HJAB C[C@@H](NC(=O)C(C)(C)c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)cs1 78655411 XEMNUBJSBMALSC-OAHLLOKOSA-N 408.523 4.736 0 40 HJAB O=c1[nH]c(-c2ccnc(OCC(F)(F)F)c2)nc2sc(-c3ccccc3)cc12 84560200 UTULMHHQDCKITE-UHFFFAOYSA-N 403.385 4.655 0 40 HJAB Cc1ccc(-c2cnc3n2CCN(C)C32CCN(Cc3ccc(C)s3)CC2)cc1 96037084 IEYWTJXNBIPOHM-UHFFFAOYSA-N 406.599 4.665 0 40 HJAB O=C(NC[C@H]1CC[C@H]([C@@H](NC(=O)C2CCC2)c2nccs2)CC1)C1CCCCC1 100223352 MRQZVDWKFJWJPT-FUHIMQAGSA-N 417.619 4.603 0 40 HJAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 102093764 GTXOYGYFQVPDTR-SOXBMFEASA-N 409.869 4.840 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccccc3C(=O)Nc3cccc(Cl)c3C)C(=O)[C@H]21 102637410 MZBQXBFKILEUNT-BUBGVCCWSA-N 420.896 4.602 0 40 HJAB CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]2ON1c1ccccc1 102736783 ZWVOJGSNYJKDCJ-OUFMZXHOSA-N 406.526 4.890 0 40 HJAB C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N[C@H]1CCCC[C@@H]1C 105657180 HZLFPOLILMWHIK-KWBADKCTSA-N 420.888 4.577 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219321776 QJLYUZJILYEYCE-ROUUACIJSA-N 403.906 4.925 0 40 HJAB Cc1cccc(N(CCCC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)c1C 222750930 CUKUMMHGTGCVPY-UHFFFAOYSA-N 410.539 4.642 0 40 HJAB COc1ccc(C(C)C)cc1S(=O)(=O)N1c2ccc(Br)cc2C[C@@H]1C 223011940 FBKNOGHDUUNZOL-ZDUSSCGKSA-N 424.360 4.721 0 40 HJAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCC(C)C 223270198 YEUMRBQVEQVAJH-XMMPIXPASA-N 424.585 4.598 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C 223693541 UCUHNLOVAHJTKS-XMMPIXPASA-N 408.586 4.878 0 40 HJAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccccc1C 224104529 UKZGFTMMOJYKGC-UHFFFAOYSA-N 404.466 4.793 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 225543804 DBKKRGGZXFCWSW-ZJSXRUAMSA-N 424.585 4.876 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1)c1cccc(F)c1 247514995 VFWHJSAJTQKKPG-GBXCKJPGSA-N 421.491 4.743 0 40 HJAB CC(C)C(=O)N[C@]1(C)C[C@H](c2ccc(Cn3cccn3)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257317339 VJJGGWVYDBVZMC-BOLWVKMUSA-N 409.574 4.729 0 40 HJAB Cc1cccc(C(=O)/N=c2\sc(C)c(-c3ccc(Br)cc3)n2C)c1 409207096 OYCUCLVSOJERKQ-VZCXRCSSSA-N 401.329 4.874 0 40 HJAB O=C(Nc1cccc(NC(=O)[C@H]2CC23CCOCC3)c1)c1cccc(C(F)(F)F)c1 530896858 CTFLFYIPFJREQE-GOSISDBHSA-N 418.415 4.713 0 40 HJAB Cc1nn(CCNC(=O)c2c(-c3ccccc3Cl)noc2C)c(C)c1-c1ccco1 575614801 INGGTJANPHTGDG-UHFFFAOYSA-N 424.888 4.807 0 40 HJAB Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CCC[C@@H]4C[C@H]43)c12 672127666 ZJJMOPVBYQXAKV-CXAGYDPISA-N 401.388 4.842 0 40 HJAB C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)c1cc2ccccc2c(O)n1 1648678712 HOFZNBVDEAZNDT-BBRMVZONSA-N 411.299 4.721 0 40 HJAB O=S(=O)(N1CCCC[C@H]1c1ccc(F)cc1F)C1(COCc2ccccc2)CC1 1660831674 SGNUUPQTMDZLEJ-NRFANRHFSA-N 421.509 4.571 0 40 HJAB Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)NC2CCCCC2)ccc1Cl 683240 HXJJFFRVLDWJJM-UHFFFAOYSA-N 406.935 4.512 0 40 HJAB CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cc2ccc(OC)cc2nc1Cl 1295136 ZMXFDDVFLRHVPL-OAQYLSRUSA-N 423.900 4.993 0 40 HJAB COC(=O)c1sccc1-c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)o1 1393394 HSFHIBZTLAZMFJ-UHFFFAOYSA-N 411.357 4.946 0 40 HJAB Cc1ccc(N2CCN(C(=O)c3cc(-c4ccncc4)nc4ccccc34)C[C@@H]2C)cc1 1460375 KXBBWZMGUFDYFH-FQEVSTJZSA-N 422.532 4.956 0 40 HJAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCSCc1c(Cl)cccc1Cl 2374996 ISSVRCJBRADXGI-FNORWQNLSA-N 410.322 4.785 0 40 HJAB COc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)c(OC)c1 2409090 GHBQQTYYEYKBAR-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Oc1ccc2c(c1)OCO2 2618658 ZVSIGXMKUQNQER-IBGZPJMESA-N 423.852 4.536 0 40 HJAB Cc1[nH]c2ccccc2c1C(=O)CSc1nc(COc2ccc(Cl)cc2)n[nH]1 2645224 BWTGLQUPPIKFAR-UHFFFAOYSA-N 412.902 4.802 0 40 HJAB Cc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccccc2)cc1 2692655 FEGVBDJNHRFVSB-UHFFFAOYSA-N 405.450 4.746 0 40 HJAB CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3486469 QIJMBCLYIQHIST-IBGZPJMESA-N 410.495 4.562 0 40 HJAB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1cccc(OCc2ccccc2)c1 3999924 LFEHVWYJDOESKN-QLWPUQSHSA-N 410.517 4.903 0 40 HJAB biogenic CCCCC(=O)OCCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O 4031923 VDPUEQXLLAQNQZ-UHFFFAOYSA-N 422.525 4.550 0 40 HJAB Cc1cc(OCC(=O)c2ccc(Br)cc2)c2c(C)c(C)c(=O)oc2c1 4042994 GXQHJRUSZGBXJE-UHFFFAOYSA-N 401.256 4.742 0 40 HJAB biogenic Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(OC(C)C)cc3)sc2c1 4359547 LJRBSIKUYWWPOI-UHFFFAOYSA-N 411.571 4.990 0 40 HJAB Cc1cc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)n(-c2ccccc2)n1 4492616 IFCVCBBEHCHZFK-UHFFFAOYSA-N 417.538 4.534 0 40 HJAB O=C(Nc1ccccc1Cl)N(CCc1nc2ccccc2[nH]1)Cc1cccnc1 4858983 PRWYHTYUCWRZKB-UHFFFAOYSA-N 405.889 4.888 0 40 HJAB COc1ccc(OC)c(C2=Nn3c(nnc3-c3ccc(C(C)(C)C)cc3)SC2)c1 5047452 IFLDEBXSVZUXRI-UHFFFAOYSA-N 408.527 4.618 0 40 HJAB CC(=O)Nc1ccccc1OCC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1 5460141 MKTQEXZCDWNFIE-OAQYLSRUSA-N 418.518 4.904 0 40 HJAB CCc1ccc(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)cc1 6006606 HMKPMRAXOIKNLS-UHFFFAOYSA-N 402.317 4.772 0 40 HJAB CCOc1cc(C(=O)NCc2cccc3ccccc23)cc(Br)c1OC 6439489 CLQNFQREXSTSEZ-UHFFFAOYSA-N 414.299 4.940 0 40 HJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)cc(C)c4)cc3n2)cc1 6710033 ZBKUCNJFEXZVLM-UHFFFAOYSA-N 414.509 4.926 0 40 HJAB C[C@@H](NC(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1)c1ccco1 7095394 QKVIYKKHTVNWIJ-OAHLLOKOSA-N 404.495 4.936 0 40 HJAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(N2CCCC2)cc1 7255731 LIEWLZXBIAMZEF-HSZRJFAPSA-N 423.607 4.996 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCC[C@H]2CCCC[C@@H]21 7329471 AVCVUOYBLQUEQX-MJGOQNOKSA-N 422.554 4.801 0 40 HJAB CCCc1nnc(S/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)O)[nH]1 7342233 SCPRCQZDFDXRMD-BOPFTXTBSA-N 400.479 4.522 0 40 HJAB O=C(CSc1ccc2c(c1)OCCO2)N1c2ccccc2OC[C@H]1c1ccccc1 7735580 BSWZQQRDBDKSKK-FQEVSTJZSA-N 419.502 4.717 0 40 HJAB Cc1cccc(OC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)c1 7779840 PLEGPDAYFUSPBN-UHFFFAOYSA-N 415.898 4.693 0 40 HJAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3CC)CC2=O)cc1 7882525 YIWAGBMTWDDENU-MRXNPFEDSA-N 415.331 4.566 0 40 HJAB COc1cccc(CN(C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)c1 8507560 MJNUYNBAJBHWDK-AHWVRZQESA-N 405.538 4.603 0 40 HJAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3c(C)c(Cl)ccc3s2)n(C)n1 9200372 HVFMFWBQVYAGDE-UHFFFAOYSA-N 411.918 4.542 0 40 HJAB O=C(c1ccc(F)cc1)n1c(=S)n(CCc2ccccc2)c(=O)c2ccccc21 9482532 HXJINQFRDOCWFF-UHFFFAOYSA-N 404.466 4.603 0 40 HJAB O=c1nc(SCc2ccc(Cl)cc2Cl)c2c(n1C[C@H]1CCCO1)CCC2 10255421 FYGQJSJXZGPKFN-CQSZACIVSA-N 411.354 4.510 0 40 HJAB COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)Cc3ccc(F)cc3)n2)c1 12442119 OSRUCTHGWNCQDI-UHFFFAOYSA-N 422.485 4.633 0 40 HJAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 12540957 ZRPDKEPPDCLXJB-FQEVSTJZSA-N 419.506 4.873 0 40 HJAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccco2)c1 12777674 CBCFXQBVZXOOJB-QGZVFWFLSA-N 418.522 4.962 0 40 HJAB Cc1c(-c2ccccc2)sc(NC(=O)CCC(C)C)c1C(=O)N1CCOCC1 12942124 KIFWNJPFRQQHBV-UHFFFAOYSA-N 400.544 4.571 0 40 HJAB O=S(=O)(c1ccccc1Br)N1CCC[C@@H]1c1nc2ccccc2s1 12984882 MFZGFYKAXWIXOB-CQSZACIVSA-N 423.357 4.585 0 40 HJAB O=C(O)CCC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 13302739 UIZUUVXQIBFHTF-CDEHNYETSA-N 424.447 4.953 0 40 HJAB Cc1ccc([C@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CCCCC2)o1 15860192 CMDQLYWBSTWUPT-IBGZPJMESA-N 404.938 4.580 0 40 HJAB O=C(Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S)Nc1cccc(Cl)c1 16777907 JUVBOWFBRRXEGF-UHFFFAOYSA-N 415.950 4.867 0 40 HJAB Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1C 19213484 GVXCQUCJRYYZLB-FGZHOGPDSA-N 415.961 4.649 0 40 HJAB O=C(c1cc(F)ccc1F)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 19293026 JJJORZAXBKBPJR-UHFFFAOYSA-N 420.463 4.714 0 40 HJAB O=C(NCCc1c[nH]c2cccc(C3(O)CCCC3)c12)c1nsc(Cl)c1Cl 19293228 JEGLNLIMJJLTOL-UHFFFAOYSA-N 424.353 4.665 0 40 HJAB c1cc(CN[C@H](Cc2ccsc2)c2nccs2)cc(OC[C@H]2CCCO2)c1 19330943 AHAJRUKAXIWTCL-WOJBJXKFSA-N 400.569 4.836 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccs1 19400652 LUQCUPUKHROZKV-XMSQKQJNSA-N 409.530 4.666 0 40 HJAB Cc1[nH]c2cccc(C(=O)N3CCCC[C@@H]3CCNC(=O)c3ccccc3)c2c1C 19748971 MZKDXDUURATMQE-HXUWFJFHSA-N 403.526 4.600 0 40 HJAB Cc1ccc(CN(C)C(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 20483783 ZANRFAQJGXPCBA-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB C[C@@H](C(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1)n1c(=O)oc2ccccc21 22232319 HJTSCSDGQHCWDW-AWEZNQCLSA-N 410.857 4.728 0 40 HJAB COc1ccc(C(C)=O)cc1CC(=O)N[C@@H](c1ccccc1)c1ccc(C)c(C)c1 25030032 KXRUKTMSNUEYTI-SANMLTNESA-N 401.506 4.963 0 40 HJAB Cc1sc2nc(SCc3nnsc3Cl)n(C3CCCC3)c(=O)c2c1C 25714258 LVCSMEBQVVNDRV-UHFFFAOYSA-N 412.993 4.987 0 40 HJAB COc1ccc(Cn2c([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)nc3ccccc32)cc1 27792732 ACKNJYXKYJUDGX-HXUWFJFHSA-N 411.505 4.922 0 40 HJAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C 27936318 UILHEPQBGOOTCK-ONGXEEELSA-N 416.241 4.512 0 40 HJAB COc1ccc(-c2csc(CCNC(=O)c3ccccc3Br)n2)cc1 31848789 HARWMGZPEJBCFE-UHFFFAOYSA-N 417.328 4.554 0 40 HJAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccccc1Br 32095243 ZFFAFLLSEYAESA-UHFFFAOYSA-N 410.227 4.610 0 40 HJAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C1CC1)Nc1cccc(Cl)c1 32604069 GAMXNAQHWTXGQE-UHFFFAOYSA-N 402.882 4.803 0 40 HJAB CN(C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)[C@H]1CCCc2ccccc21 32909376 UPQKDBHGMJOUAQ-DEOSSOPVSA-N 424.500 4.632 0 40 HJAB O=C(NCCOc1ccccc1)c1ccccc1CSc1nc2ccccc2o1 32971681 SAPAABZKBPMQKN-UHFFFAOYSA-N 404.491 4.929 0 40 HJAB O=C(CN1CCc2ccccc2C1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 35388466 UROPOCGIADZSER-UHFFFAOYSA-N 417.578 4.613 0 40 HJAB CC(C)c1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1 35648783 SHOTYJRRTHYCQY-DYGKOUCMSA-N 411.548 4.707 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1cccc(C)c1)CC2 37215264 IYUUVDBHZZOGIW-XMMPIXPASA-N 422.550 4.660 0 40 HJAB Cc1cc(C)c2cc(C(=O)O[C@H](C(=O)Nc3cc(C)on3)c3ccccc3)[nH]c2c1 39536234 YTJKZMIBJCNKBD-NRFANRHFSA-N 403.438 4.618 0 40 HJAB COc1ccc(Nc2ccccc2C(=O)Nc2cccc(NC(=O)NC3CC3)c2)cc1 40108684 JVPJMUHEOQUSPG-UHFFFAOYSA-N 416.481 4.975 0 40 HJAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1cccc(OCCn2ccnc2)c1 40134879 NPJZKVNVESNKIG-RMKNXTFCSA-N 401.388 4.633 0 40 HJAB COc1cc(C(=O)Oc2ccccc2C(C)=O)cc(OC)c1OCc1ccccc1 48303211 ALULXOJZMOEHMI-UHFFFAOYSA-N 406.434 4.705 0 40 HJAB COc1ccc(CN(Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)C2CC2)cc1 57672109 SIBSZHACRJINSE-UHFFFAOYSA-N 417.534 4.825 0 40 HJAB CCCc1nc(CN(Cc2csc(CCC)n2)[C@@H](C)Cn2cccn2)cs1 69416793 UUMMRLDMILJQJN-INIZCTEOSA-N 403.621 4.792 0 40 HJAB COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC4CCOCC4)C=C3C)[nH]c2c1 77262146 FYGAUIAPKRTUJC-IPJJNNNSSA-N 411.590 4.737 0 40 HJAB biogenic,in-vitro O=C(c1cc(Br)c[nH]1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 84459315 VALGFUORWHLDKF-UHFFFAOYSA-N 408.683 4.592 0 40 HJAB COc1cccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)c1 96221827 KQZNRESJLJZRSR-LJQANCHMSA-N 414.413 4.615 0 40 HJAB biogenic COC(=O)c1nc(NC(=O)c2sc(C)nc2C(C)C)sc1-c1ccccc1 96231822 CCAUNTNEIDMVOF-UHFFFAOYSA-N 401.513 4.737 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3c(C)cc(C)cc3C)c2)cc1 98072685 VVWQLGCZOKAFJM-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4scnc4C)o3)CC2)c1 100156438 XFIXXADKOIOQFD-OKILXGFUSA-N 402.545 4.575 0 40 HJAB CCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223423997 UXYMEXSECFMJNP-UHFFFAOYSA-N 410.923 4.528 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 224217610 RDNKMZHALFEEHK-DEOSSOPVSA-N 408.586 4.995 0 40 HJAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)NCc1ccccc1Cl 225802607 IRTRDMRJWMREPW-UHFFFAOYSA-N 409.795 4.658 0 40 HJAB CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNCc2cccnc2NC)CC1 257236316 HBOOCIANIURDID-QAQDUYKDSA-N 422.598 4.761 0 40 HJAB CCOc1ccccc1N(Cc1ccccc1F)S(=O)(=O)c1ccc(OC)cc1 408625237 IPKOCOQYLULZQA-UHFFFAOYSA-N 415.486 4.629 0 40 HJAB Cc1cccc(N2C[C@@H](C(=O)NCC(c3ccccc3)c3ccccc3)CC2=O)c1C 408709146 YCRGREGOOGGPGS-QHCPKHFHSA-N 412.533 4.605 0 40 HJAB Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 409121428 ZTMOUNRABPULDB-UHFFFAOYSA-N 418.562 4.839 0 40 HJAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCc2ccccc2Cl)n1C 409350051 XAZPNBYOPPEJLT-SFHVURJKSA-N 414.962 4.888 0 40 HJAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Br)cc1 984320 CPHZXQGBGZAIHU-QGZVFWFLSA-N 422.120 4.909 0 40 HJAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(OCc4ccccc4)cc3)ccc12 2151789 DVGXEWGLTBTZCZ-UHFFFAOYSA-N 415.445 4.698 0 40 HJAB biogenic CCOC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@H](C(=O)OCC)[C@H]1c1ccco1 2359795 KQEGCJRLMNRRQP-RBBKRZOGSA-N 409.482 4.740 0 40 HJAB Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 2413167 LSKDFNGLNBPSQY-IBGZPJMESA-N 406.825 4.801 0 40 HJAB O=C(NN1C(=O)C2(CCCCC2)[C@H]1c1ccc(Br)cc1)c1ccccc1 2439897 DRSAWBRPYMWNOB-GOSISDBHSA-N 413.315 4.628 0 40 HJAB CC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)cc1 4273251 SIXYTVIGNAPROH-UHFFFAOYSA-N 405.454 4.880 0 40 HJAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 5241739 WWLSEMWSFAICGR-UHFFFAOYSA-N 406.916 4.509 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2ccccc2c1 5430312 KZUXHYGQTRVCCK-UHFFFAOYSA-N 402.523 4.773 0 40 HJAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccccc1-c1nc2ccccc2[nH]1 6154110 AWLLMWUDZMKNKG-UHFFFAOYSA-N 418.884 4.642 0 40 HJAB Cc1sc2nc([C@H](C)OC(=O)C(C)(C)Oc3ccc(Cl)cc3)[nH]c(=O)c2c1C 6353576 LWNIPULFXJYFSE-NSHDSACASA-N 420.918 4.717 0 40 HJAB C[C@@H](NC(=O)COc1ccc2cc(Br)ccc2c1)c1ccc(F)cc1 6510858 OZZDSEBCPXEDKL-CYBMUJFWSA-N 402.263 4.998 0 40 HJAB O=C(CCCn1c(=O)oc2ccccc21)Nc1nc(-c2ccc3c(c2)CCC3)cs1 6880201 JKVKMMFOONWVBB-UHFFFAOYSA-N 419.506 4.626 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 6886558 ARVBHCAQIGBLLM-UHFFFAOYSA-N 403.869 4.659 0 40 HJAB CCOc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccs3)sc2c1 7424710 SBXZWTIOJOTQKP-UHFFFAOYSA-N 412.540 4.690 0 40 HJAB C[C@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21 7546816 RMTHBIHPXXUYLU-WMZHIEFXSA-N 409.533 4.867 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 7881135 HSUWRCOAXJXWCD-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB COCCCn1c(C)cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c1C 8893108 BJZDTYIVSCXFAY-UHFFFAOYSA-N 424.526 4.648 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 8902696 ZVVMMABTZVXHHV-UHFFFAOYSA-N 407.451 4.793 0 40 HJAB Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3ccc(C)s3)ccc1O2 8961307 JZBHCZGFRITNSS-UHFFFAOYSA-N 400.481 4.524 0 40 HJAB Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)NC2CCCCC2)c1 9250123 HOICBHMWRIIAFT-UHFFFAOYSA-N 411.571 4.800 0 40 HJAB Cc1cc(=O)oc2cc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)ccc12 9468745 YJZKZOXCRCHWJG-UHFFFAOYSA-N 417.792 4.574 0 40 HJAB CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900351 LDVWXWKIQDHLDW-IVZQSRNASA-N 423.944 4.551 0 40 HJAB CC(C)n1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccco1 10226611 AOKFKDJNFITRRA-UHFFFAOYSA-N 410.421 4.869 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3c(F)cccc3F)c2C)cc1 10314916 QICVDCGTBJJMOE-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 10434014 JLCSBBIXASYRMK-UHFFFAOYSA-N 424.566 4.973 0 40 HJAB CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(C(=O)OC)cc4)n3)oc12 10749819 JHAVYRSGQXRCLT-UHFFFAOYSA-N 422.462 4.994 0 40 HJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cccc(Cl)c2)cc1 11115631 WIQYFZJGTHLEOZ-WOJBJXKFSA-N 413.930 4.856 0 40 HJAB Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)N(c2ccccc2)C(C)C)cc1 11217757 CJTUQVPDFNRNLO-UHFFFAOYSA-N 422.550 4.954 0 40 HJAB CCCCCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2ccccc21 11487840 GQBIPVUJTWGCTD-UHFFFAOYSA-N 410.543 4.916 0 40 HJAB O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCC[C@H]1c1cccs1 12557138 LYTBJAQRNRNOHK-IBGZPJMESA-N 412.536 4.526 0 40 HJAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)cc1 12784219 ZZNWXIXWVZHTBD-UHFFFAOYSA-N 406.467 4.779 0 40 HJAB C[C@@H]1Cc2cc(C(=O)c3cc4c(ccc5ccccc54)o3)ccc2N1S(C)(=O)=O 12807787 CMNNBLHWICDXKN-CQSZACIVSA-N 405.475 4.528 0 40 HJAB Cc1ccc(O)c(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2cccs2)N3)c1 12847931 MQWSNXOSTDMLEJ-LRDDRELGSA-N 422.432 4.871 0 40 HJAB c1ccc2c(c1)OC[C@@H](CSc1nnc(-c3c[nH]c4ccccc34)n1C1CC1)O2 14069178 GHBLRRQSWRAHMC-HNNXBMFYSA-N 404.495 4.693 0 40 HJAB Cc1cc(O[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc(C)c1Cl 14401329 UUAFLVFVJMDZHF-JRMCHAMMSA-N 412.961 4.582 0 40 HJAB O=S(=O)(/C=C/c1ccccc1)N(Cc1ccccc1)Cc1cc(-c2ccco2)on1 15552498 GFZYSLBKEJECIB-FYWRMAATSA-N 420.490 4.938 0 40 HJAB O=C(c1ccccc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 15675922 LTGSFYVTVITLOY-QFIPXVFZSA-N 421.460 4.553 0 40 HJAB biogenic,in-vitro O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(F)c(Cl)c1 16899421 KTFKNYDHZABQRL-CQSZACIVSA-N 418.799 4.940 0 40 HJAB CCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 17089727 KWVYOQQANDTZPA-UHFFFAOYSA-N 413.949 4.821 0 40 HJAB CCOCCCNc1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 17306905 KJGGDKAVGSHLOL-UHFFFAOYSA-N 406.465 4.537 0 40 HJAB COc1cccc(CN2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1OC 19574887 DUKYJCGHBONDFU-MZMPZRCHSA-N 424.467 4.545 0 40 HJAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CC2CCCC2)nc(C2CC2)n1 19592093 HFUSVDFHCCRNFY-OAQYLSRUSA-N 417.557 4.857 0 40 HJAB CNc1cc([C@@H]2CCCN(Cc3cccc4ncccc34)C2)nc(-c2ccncc2)n1 19592280 CMECGYQXJOWFFU-HXUWFJFHSA-N 410.525 4.508 0 40 HJAB Cc1nnc2sc(-c3cccc(NC(=O)c4cccc(Cl)c4Cl)c3)nn12 20609580 KQIXKTKCXIFZBT-UHFFFAOYSA-N 404.282 4.720 0 40 HJAB O=C(CCn1c(=O)oc2ccccc21)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 23299737 GLVSGVXIWKMHTH-UHFFFAOYSA-N 423.538 4.548 0 40 HJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 27389092 TUJSCQNUYYFMRT-AWEZNQCLSA-N 415.559 4.822 0 40 HJAB Cc1cc(NC(=O)c2ccc(COc3ccc4c(c3)OCO4)o2)c2ccccc2n1 28223673 YAJSWENEYRVHQG-UHFFFAOYSA-N 402.406 4.696 0 40 HJAB CN1C(=O)c2ccc(C(=O)Nc3ccccc3Oc3ccccc3Cl)cc2C1=O 32820332 CJLUSKMUIXKYPI-UHFFFAOYSA-N 406.825 4.610 0 40 HJAB Cc1nn(-c2ccc(NC(=O)c3cc(C4CC4)nc4c3cnn4C)cc2)c(C)c1Cl 36616331 SHAWLUYDABGFIH-UHFFFAOYSA-N 420.904 4.554 0 40 HJAB COC(=O)c1ccc(CSc2nnc(C(C)C)c3cnn(-c4ccc(C)cc4)c23)o1 38488225 MSQHRMOOIALBCM-UHFFFAOYSA-N 422.510 4.919 0 40 HJAB CCN1CCN(c2ccccc2NC(=O)N[C@H](c2cccs2)C(C)(C)C)CC1 40150600 QSCLIKBNYZGSJY-HXUWFJFHSA-N 400.592 4.799 0 40 HJAB Cc1cnc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)s1 44841143 PBNCDDKNYCQWKK-UHFFFAOYSA-N 408.252 4.793 0 40 HJAB Cc1ccccc1N1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 57322763 QUXVGXUGMCYSRS-MRXNPFEDSA-N 416.447 4.947 0 40 HJAB COc1ccc(OC)c(/C=C2/SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)c1 59457343 KZLNONUWPDUHFS-GIJQJNRQSA-N 418.902 4.772 0 40 HJAB Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 72345142 UFYAFHFZHSSJTK-RDPSFJRHSA-N 418.581 4.558 0 40 HJAB COc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CCCc3ccccc3)C2)c1 72359166 MRCKAOZZEOPXAT-QFIPXVFZSA-N 415.537 4.881 0 40 HJAB Clc1cc2c(cc1CN1CCCC[C@@H]1c1nnc(-c3ccsc3)o1)OCO2 72390156 VGHVLLPQXHFUAP-OAHLLOKOSA-N 403.891 4.907 0 40 HJAB O=C(Cc1ccccc1Cl)NC1(c2nc(-c3ccsc3)no2)CCCCC1 77197550 CYWDAILTUXKLCT-UHFFFAOYSA-N 401.919 4.970 0 40 HJAB CC(=O)c1cc(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)n(C)c1 89291917 AGFDYXNTOHYOTL-UHFFFAOYSA-N 404.253 4.974 0 40 HJAB C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 95996467 KBITUJHIXJIULK-NSHDSACASA-N 411.390 4.918 0 40 HJAB C[C@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(Br)o1 97105389 WYDAWZABLNOQLC-ZDUSSCGKSA-N 400.276 4.540 0 40 HJAB CC1=NN(c2ccccc2)[C@@H]2O[C@]3(C)C[C@](C)(Oc4c3c(C)nn4-c3ccccc3)[C@@H]12 101344072 IEIBUZSTLRNBJL-HYLPIGKTSA-N 414.509 4.806 0 40 HJAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4ccccc4C)C3=C(O)C2)c(OC)c1 102316504 WJMJNNQUNMHWHS-WNSKOXEYSA-N 416.481 4.669 0 40 HJAB O=C(/N=c1\sccn1Cc1ccccc1Cl)c1ccccc1Br 102501321 RZUOXQCCENXPPP-JZJYNLBNSA-N 407.720 4.755 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 222456907 OCZGGQIZDJEMTL-NRFANRHFSA-N 418.940 4.662 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C 222611112 GQXKFAYKAJODIP-QPPBQGQZSA-N 408.586 4.611 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1C1CCCCC1 223091015 ILKGCNDPDNVZOU-VXKWHMMOSA-N 406.555 4.830 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)cc1 224080762 VPQUUCWZWQXKIA-SFHVURJKSA-N 412.549 4.653 0 40 HJAB O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCN(Cc2ccccc2)CC1 224895017 RRKKGHNWZGXPGF-UHFFFAOYSA-N 423.516 4.967 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 225200004 XWVPTSYYNBPTRY-MSOLQXFVSA-N 400.950 4.523 0 40 HJAB COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Br)c(C)c2)cc1 225265680 OKPFTHCUXGYJPC-ZDUSSCGKSA-N 409.349 4.520 0 40 HJAB COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3Br)nc2c1 226344197 PDKUYMFRKMEBGL-UHFFFAOYSA-N 410.065 4.542 0 40 HJAB CCOc1ccc(NC(=O)c2ccc(-c3cccc(Br)c3)o2)c(N)c1 226348126 WHOTZPDZGFQCBA-UHFFFAOYSA-N 401.260 4.942 0 40 HJAB C[C@H](NC(=O)C1CCC(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 245237297 IOGFZBPTYATEIP-YZDCCFQISA-N 414.634 4.675 0 40 HJAB COc1ccc(-c2cccc([C@H]3CN(Cc4cccc5ncccc45)CCO3)n2)cc1 257223405 DXFKPBUKQNVWJU-AREMUKBSSA-N 411.505 4.879 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(NS(=O)(=O)CC)cc3)ccc21 408701810 GCKRIZXDLCZRQW-UHFFFAOYSA-N 421.522 4.828 0 40 HJAB CC(C)(C)c1cnc(COC(=O)c2cnn(-c3cccc(Br)c3)c2)s1 1128624647 FDCBKMJHQSTVFQ-UHFFFAOYSA-N 420.332 4.746 0 40 HJAB Cc1nn(Cc2ccccc2)c(N)c1C(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 1138010481 HOZAYKDZSKJVQA-QFIPXVFZSA-N 402.542 4.923 0 40 HJAB CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@@H](C(C)C)OC3 1254200 YESUBHYFPOQWQN-KRWDZBQOSA-N 414.596 4.910 0 40 HJAB COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccc(F)cc3)cc2c1 1327324 DAZKMSBPUFHWJY-UHFFFAOYSA-N 421.428 4.503 0 40 HJAB Cc1c(C(=O)COc2cc3oc(=O)c4c(c3cc2Cl)CCC4)c2ccccc2n1C 2201585 YSSXIDDUQVOHSP-UHFFFAOYSA-N 421.880 4.997 0 40 HJAB COc1ccc(-c2c3c(N)c(C(C)=O)oc3nc3c2c(C)nn3-c2ccccc2)cc1 2585228 CSAFXLPKJCVYEG-UHFFFAOYSA-N 412.449 4.936 0 40 HJAB Cc1cc(OCC(=O)N2CCC(Cc3ccccc3)CC2)ccc1Br 3200128 LFVTXUGJJLLPQN-UHFFFAOYSA-N 402.332 4.618 0 40 HJAB O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1Cc1ccccc1 3213057 ATQJTDXQSKPLGT-DEOSSOPVSA-N 412.518 4.709 0 40 HJAB c1cc2c(cc1CNc1nc(CN3CCCCC3)nc3sc4c(c13)CCC4)OCO2 3343587 ZXULWYTYTZEUJL-UHFFFAOYSA-N 422.554 4.507 0 40 HJAB CSc1ncccc1C(=O)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 3421987 JLYOESPDWXFFIC-JOCHJYFZSA-N 411.454 4.907 0 40 HJAB Cc1ccc2cc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)c(=O)[nH]c2c1C 4032963 MXNCUUJAXIUTNM-UHFFFAOYSA-N 422.956 4.969 0 40 HJAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccccc2)cc1 4162492 YFDWRXWJJZFSNM-UHFFFAOYSA-N 400.434 4.875 0 40 HJAB Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2C)c(C)c1 4341742 WDXDATQNQAAEQV-UHFFFAOYSA-N 417.538 4.780 0 40 HJAB CC[C@@H]1CCCCN1C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 5079486 DSLAVKMUKIELPA-GOSISDBHSA-N 413.901 4.519 0 40 HJAB CC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)cc1 5270840 BXKAZPTXWKWPFI-UHFFFAOYSA-N 415.276 4.658 0 40 HJAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3ccc4c(c3)OCCCO4)c2C)cc1 5365639 JJQZDKAORIKKTF-UHFFFAOYSA-N 423.538 4.690 0 40 HJAB CC(=O)c1ccc(N[C@]2(/C=C/c3ccccc3)CC(=O)N(C3CCCCC3)C2=O)cc1 6022711 JPMDUQJSPKGPCF-ZMNABIIRSA-N 416.521 4.845 0 40 HJAB COc1ccccc1Nc1nnc(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)s1 6650465 YBJBOEXIGFMSDN-GBJTYRQASA-N 420.604 4.712 0 40 HJAB COc1ccc(OC(=O)c2nc(SCc3ccccc3C)ncc2Cl)cc1 6748161 RAPBJORQPCBMMY-UHFFFAOYSA-N 400.887 4.959 0 40 HJAB aggregator Cc1c(Cl)cccc1NC(=O)[C@@H](C)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 6767258 WFKPPWVLPSQHOA-MRXNPFEDSA-N 421.928 4.951 0 40 HJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc(C(C)(C)C)cc1 7759432 RQTLXCACOCDOLA-UHFFFAOYSA-N 413.905 4.725 0 40 HJAB CCc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCC2)cc1 8586896 GRBGXWROSPOXKD-UHFFFAOYSA-N 423.582 4.782 0 40 HJAB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(O)cc2)c1 8664952 ODXNFPKTTIVQOH-JOCHJYFZSA-N 412.445 4.569 0 40 HJAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc5ccccc5c4)ccc1c23 8715865 OXLDKRCWEVNDAK-UHFFFAOYSA-N 402.475 4.774 0 40 HJAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 8840715 OPTUUBKBIGBKLA-UHFFFAOYSA-N 414.571 4.864 0 40 HJAB Cc1nc2scc(C)n2c(=O)c1NC(=O)CC(c1ccccc1)c1ccccc1 8931772 HKROMYVUGUDPDT-UHFFFAOYSA-N 403.507 4.534 0 40 HJAB COc1ccc(CCN[C@@H]2C3=C(CCCC3)C(=O)N2[C@@H](C)c2ccccc2)cc1OC 9434831 RSMADMFDHHKCIQ-BVZFJXPGSA-N 420.553 4.636 0 40 HJAB CC(C)Oc1cccc(-c2nnc(SCc3ccc(Br)cc3)n2N)c1 9463968 ITIKCXDVTQOVHY-UHFFFAOYSA-N 419.348 4.501 0 40 HJAB O=C(Cc1cccs1)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 9518494 UXYNALHSJYZWTL-UHFFFAOYSA-N 420.446 4.657 0 40 HJAB Cc1ccc([C@@H](NC(=O)c2ccccc2CSc2ncn[nH]2)c2ccccc2)cc1 9578927 YGXZGNZETRKODQ-QFIPXVFZSA-N 414.534 4.925 0 40 HJAB COc1cccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@@H]2c2ccc(C)cc2)c1 10059792 TZTTUFFGQPGCOK-DNQXCXABSA-N 424.504 4.976 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 10329233 AYIXJVPBVCHIKM-UHFFFAOYSA-N 420.412 4.759 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@H](C)c1nc2ccccc2n1C(F)F 10639886 DLYAPCNVDZEEEG-STQMWFEESA-N 407.848 4.772 0 40 HJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 11115506 WNYJAXFXZBKDEY-PMACEKPBSA-N 413.930 4.856 0 40 HJAB COc1cccc(NC(=O)Nc2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)c1 11613285 ROSWXKQHGZXUBV-UHFFFAOYSA-N 407.474 4.968 0 40 HJAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(NC(=O)C2CC2)s1 12627327 KGURDIVTWKCQPA-UHFFFAOYSA-N 402.479 4.892 0 40 HJAB Cc1cc(C)c(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)c(Cl)c1 12790954 JRXPEMOTUCDGAR-UYRXBGFRSA-N 419.872 4.840 0 40 HJAB Cc1ccc(N2C(=O)N(CN3CCC[C@@H]3c3nc4ccccc4s3)C(=O)[C@H]2C)cc1 12799149 OVKNLOHSZNDDEI-VQIMIIECSA-N 420.538 4.556 0 40 HJAB Cc1ccc([C@](O)(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)C(F)(F)F)o1 12856088 WQRDIHSVKHZXOZ-OAHLLOKOSA-N 411.207 4.857 0 40 HJAB Brc1ccccc1-c1nnc(CSc2nnc(C3CC3)n2C2CC2)o1 12864517 WPWFXOYKGIWVNX-UHFFFAOYSA-N 418.320 4.595 0 40 HJAB COc1ccc2c(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)coc2c1 14251089 SMVOKIBHMPZAOX-FQEVSTJZSA-N 407.466 4.509 0 40 HJAB Cc1ccc(-c2cc(-c3nnc(SCc4ncon4)n3C)c3ccccc3n2)cc1 14253571 WNEYNYZUXSPNMU-UHFFFAOYSA-N 414.494 4.681 0 40 HJAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 14291321 FMIXDLSLXGVILT-UHFFFAOYSA-N 421.526 4.720 0 40 HJAB O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(Cl)s1 15906177 KRNAHILPHPVUTI-AOOOYVTPSA-N 403.356 4.587 0 40 HJAB CCc1c(C(=O)Nn2c(=S)[nH]c3sc4c(c3c2=O)CC[C@H](C)C4)csc1C 17091977 BKZRUXCKUVVVHQ-VIFPVBQESA-N 419.597 4.562 0 40 HJAB Cc1nn([C@@H](C)CC(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c(C)c1Cl 19577500 QSIMQAHXTSTQSJ-WMLDXEAASA-N 407.917 4.561 0 40 HJAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20468053 ONYRVBORGRGBQZ-UHFFFAOYSA-N 408.523 4.863 0 40 HJAB Cc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5C)nc4nc3C2)cc1 20632452 NGOYBHWFNQOGAF-LJQANCHMSA-N 414.534 4.946 0 40 HJAB O=S(=O)(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)s1 26877145 ABIGKWBWPUDQBR-RNFRBKRXSA-N 415.808 4.589 0 40 HJAB CC(=O)c1c(C)cc(C)c(CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)c1C 28186410 DTSXHHOXEALWJK-SANMLTNESA-N 414.505 4.935 0 40 HJAB Cc1cc(C)c2oc(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)cc(=O)c2c1 28290757 LUXUUHWJENHIDX-IBGZPJMESA-N 424.566 4.818 0 40 HJAB CCc1ccc([C@H](CNC(=O)COc2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 28292843 FKDARTITVNUKGB-DEOSSOPVSA-N 408.586 4.879 0 40 HJAB Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(F)cc3)c3ccccc23)c(C)c1 28535292 FZENYFNGRFCMFD-UHFFFAOYSA-N 401.441 4.920 0 40 HJAB Cc1csc(SCc2ccc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2)n1 30948179 NKVWAUULHAEFIM-UHFFFAOYSA-N 411.552 4.698 0 40 HJAB COc1ccc2nc(C)c(C(=O)Nc3ccc(-n4cnc5ccccc54)nc3)cc2c1 32796686 WWOULZVFSUPZOR-UHFFFAOYSA-N 409.449 4.538 0 40 HJAB C[C@H](Nc1nc2ccccc2s1)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 32902866 ZAYRSSAPHJIBIO-RYUDHWBXSA-N 415.469 4.719 0 40 HJAB COCc1nn2c(C)c(C(=O)Nc3ccc(F)cc3)cnc2c1-c1cccc(Cl)c1 38829813 WJDFRKIUAHEXSI-UHFFFAOYSA-N 424.863 4.896 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 39763015 AHFKHWTXFPIGQM-UHFFFAOYSA-N 421.324 4.631 0 40 HJAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H](C)SCc1ccccc1 40140769 YETIXZVSYPFHQD-HNNXBMFYSA-N 424.488 4.814 0 40 HJAB O=C(CCc1nc(-c2ccccc2)no1)N(Cc1ccccn1)c1ccc(Cl)cc1 40156833 YBRHNMUXETZUPM-UHFFFAOYSA-N 418.884 4.951 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCC[C@@H]1c1ccccc1 43341309 QDJPTOYKVLIOJA-LJQANCHMSA-N 419.447 4.911 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 44855663 FOIUUUHTFLRUOD-HSZRJFAPSA-N 422.569 4.634 0 40 HJAB COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 44937311 QAMHHBDEPVGGFB-XMMPIXPASA-N 412.549 4.950 0 40 HJAB Cc1ccc(-c2noc(C3CCN(CC(=O)Nc4ccccc4Cl)CC3)n2)cc1 49403292 RYLOOVVLLANPSP-UHFFFAOYSA-N 410.905 4.517 0 40 HJAB COc1ccc(CN[C@@H]2C3=C(CCCC3)C(=O)N2CCc2ccc(Cl)cc2)cc1 57381668 QNCJZFGZSWVXKG-QHCPKHFHSA-N 410.945 4.720 0 40 HJAB Cc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C(C)C)cc4)[nH]n3)C[C@H]2C)cc1 57413305 OVYRKKZKRXGMRN-LJQANCHMSA-N 402.542 4.859 0 40 HJAB CN(Cc1ccco1)C(=O)CSc1csc(-c2ccc(Br)cc2)n1 58165931 DXHGXGQKEHBOQT-UHFFFAOYSA-N 423.357 4.916 0 40 HJAB O=C(c1ccccc1)N1CCCCC[C@@H]1C1CCN(c2ncnc3sccc23)CC1 70011737 GKPDURPPUDAZBC-OAQYLSRUSA-N 420.582 4.993 0 40 HJAB Cc1nc(-c2ccccc2Cl)nc(NCCn2c(C3CC3)n[nH]c2=S)c1C 72307737 LZGPDGCVUJCZKO-UHFFFAOYSA-N 400.939 4.657 0 40 HJAB O=C(Nc1cccc(C(=O)Nc2ncccc2OCC2CCCCC2)c1)NC1CC1 84374433 AYHYSDXWEUICRG-UHFFFAOYSA-N 408.502 4.577 0 40 HJAB CCOCCOc1c(Cl)cccc1NC(=O)N1CC=C(c2cccc(OC)c2)C1 95467091 HMZROLKKSNNKQC-UHFFFAOYSA-N 416.905 4.695 0 40 HJAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3ON2c2ccccc2)cc1 102717106 QBVBZOBHRWSSFE-TZRRMPRUSA-N 412.489 4.663 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)cc2)cc1 113936630 LYLMVDVAUJRJEW-IBGZPJMESA-N 422.550 4.904 0 40 HJAB CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1ccccc1)C(=O)O 149792031 DZDBYCUIFHWWLH-DEOSSOPVSA-N 415.489 4.953 0 40 HJAB COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 222856818 JAGKPDWHFLODPV-NHCUHLMSSA-N 421.522 4.509 0 40 HJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 222863580 ISUDVXBFVMPYIU-PMACEKPBSA-N 419.579 4.865 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc3c(c1)CCCC3)CC(C)(C)O2 223266740 ZCKPQDPIVBIUJW-OPAMFIHVSA-N 409.526 4.760 0 40 HJAB Cc1ccc(OCCCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223742668 CXEUTYLCSQNJJG-NRFANRHFSA-N 422.569 4.630 0 40 HJAB Cc1ccccc1CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1 223829317 JPSPEDSVOQDNRK-SFHVURJKSA-N 412.961 4.667 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)NCCc2ccc(F)cc2)c(Br)c1 224251774 BKMVDHOGUQSYNK-UHFFFAOYSA-N 408.311 4.623 0 40 HJAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1cccc(OC)c1 224590770 ZTHHWEAMJGVHLE-UHFFFAOYSA-N 405.494 4.945 0 40 HJAB O=C(c1ccc(NC(=S)NCCSC2CCCCC2)cc1)N1CCCCC1 225359181 HEQCUQMXXBKOQQ-UHFFFAOYSA-N 405.633 4.665 0 40 HJAB CCc1ccc(OCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)N[C@H](C)CC)cc1 225515906 ZFHXZINGHFQXCO-HYBUGGRVSA-N 424.585 4.658 0 40 HJAB COc1ccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)c2cccnc12 225570304 XKGZKUMHXICAPP-UHFFFAOYSA-N 409.555 4.950 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 225574118 XTHQBFAXTQLYTP-XUZZJYLKSA-N 424.585 4.876 0 40 HJAB O=C(Cc1cccc(Br)c1)Nc1ccccc1C(=O)N1CCCCCC1 225619086 KYABKUVKSWFIAC-UHFFFAOYSA-N 415.331 4.647 0 40 HJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225734534 UPZPSJMZKCTHIM-DEOSSOPVSA-N 404.595 4.967 0 40 HJAB O=C(N1CCC[C@H](Cc2cccc3cccnc23)C1)C1(c2ccccc2)CCOCC1 257335400 YJZGIGDFXOBEQY-OAQYLSRUSA-N 414.549 4.764 0 40 HJAB COc1cccc(C(=S)NC[C@@H]2CCCO2)c1OCc1c(F)cccc1Cl 408575486 OMRAZWHOUUKDLH-ZDUSSCGKSA-N 409.910 4.511 0 40 HJAB Cc1cc(S(=O)(=O)NC2CCCCCCC2)ccc1NC(=O)c1ccccc1 408609322 QZHQFWOCELCYLL-UHFFFAOYSA-N 400.544 4.639 0 40 HJAB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2ccc(C)cc2C)c2ccccc2)cc1 408981958 WSWUUIBPTDWNJP-QHCPKHFHSA-N 422.550 4.660 0 40 HJAB CC(C)N(C(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)C(C)C 409202692 SXNANZRHEBRESN-CHHVJCJISA-N 415.342 4.675 0 40 HJAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3)C2=O)c(C)c1 409372454 DPQLEZWPGGHURH-LICLKQGHSA-N 414.914 4.940 0 40 HJAB COc1cc2c(cc1F)CC[C@H]2NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 512335375 DBBBBJXKAAKFNQ-LJQANCHMSA-N 410.514 4.921 0 40 HJAB O=C(CN1CCCCC1)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643576176 QWLXOZLLCUFFFN-UHFFFAOYSA-N 423.557 4.641 0 40 HJAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2C)cc1 888089544 MKTCJRDZURCFKV-HRNNMHKYSA-N 422.569 4.619 0 40 HJAB C[C@H](c1ccccc1)n1cc(NC(=O)Nc2cnn([C@H](C)c3ccccc3)c2)cn1 1672545636 MONLOECGEAXMSL-QZTJIDSGSA-N 400.486 4.942 0 40 HJAB Clc1nc(Nc2ccccc2)nc(Nc2ccc(I)cc2)n1 854125 ZXAWVCCHNGAEBB-UHFFFAOYSA-N 423.645 4.617 0 40 HJAB CCc1cccc(C)c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 1104168 NFBGCBHJDSQCJB-QFIPXVFZSA-N 422.550 4.502 0 40 HJAB CC(=O)c1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c1 1105123 HUEYLWGTHQVEAF-HSZRJFAPSA-N 420.490 4.509 0 40 HJAB COc1ccc(NC(=S)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCC2)cc1 1224234 HOJHOGQFZQLRJH-UHFFFAOYSA-N 421.566 4.987 0 40 HJAB CCOC(=O)c1c(NC(=O)/C=C/c2c(Cl)nc3sccn23)sc(C)c1C 2649182 DPHSNMPULVTTSF-AATRIKPKSA-N 409.920 4.556 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2ccc3c(c2)OCO3)c2ccccc2)c1 3240366 DPMGVAROIWHFHI-JOCHJYFZSA-N 403.434 4.569 0 40 HJAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)cc1 4123044 KRDUAOKNJVHZIP-UHFFFAOYSA-N 411.571 4.839 0 40 HJAB Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 4412280 ISFLVFGIQKFVNW-UHFFFAOYSA-N 411.914 4.995 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)cc1 4463813 YABPIHKYNNYJNA-KRWDZBQOSA-N 419.477 4.787 0 40 HJAB COc1ccc(-c2cn3nc(CNc4ccc(F)cc4)n4c3c2CCCC4)cc1OC 4518359 OQZTXDWQDQHVCR-UHFFFAOYSA-N 420.488 4.908 0 40 HJAB COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccc(Cl)cc2)ccc1O 4776231 HAZRINAWSLTYFD-VJBMBRPKSA-N 401.934 4.923 0 40 HJAB Cc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 5267420 GVFAPJIYPBWMLC-NRFANRHFSA-N 400.434 4.764 0 40 HJAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(Br)cc(Br)c1 5749179 FECFAIGOCDNSTC-UHFFFAOYSA-N 413.153 4.910 0 40 HJAB O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)Nc1ccc(F)cc1 6238201 BJJPUPFKTRLMNB-UHFFFAOYSA-N 409.442 4.672 0 40 HJAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2cccc(Cl)c2)n1 6464203 KKWIOUZKNOOORF-UHFFFAOYSA-N 409.298 4.518 0 40 HJAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 6899926 CTIVBAKNUHDORU-MRVPVSSYSA-N 401.706 4.809 0 40 HJAB CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 7408416 MMBFHKAAEQOAPV-CYBMUJFWSA-N 409.313 4.881 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccccc2C(=O)Nc2ccccc2)c1C 7549667 ROAUNXQQOQFJJQ-KRWDZBQOSA-N 404.466 4.737 0 40 HJAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)N[C@@H](c1ccccc1)c1ccco1 7808788 RZBPUXTZZVWVBL-VWLOTQADSA-N 411.457 4.795 0 40 HJAB CC(=O)c1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)cc1 8586886 ZERKSNWPDCXPFC-UHFFFAOYSA-N 413.433 4.624 0 40 HJAB Cc1ccccc1Nc1nc(CSc2nnnn2Cc2cccs2)cs1 8707401 IIAKSLPUNKEFJX-UHFFFAOYSA-N 400.558 4.584 0 40 HJAB Cc1c(Cl)cnc(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)c1Cl 9664410 VHOZWFLRTRZIKQ-UHFFFAOYSA-N 422.095 4.728 0 40 HJAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 10214631 IFQIJKLQEJMRHW-UHFFFAOYSA-N 422.488 4.918 0 40 HJAB COc1cc(OC)cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 10235657 GBWQUNSRWKYZRT-UHFFFAOYSA-N 416.930 4.987 0 40 HJAB C[C@H](Sc1nc(Cc2cccs2)n[nH]1)C(=O)Nc1cccc(Cl)c1Cl 11600639 LDWZEMYLLSFCAF-VIFPVBQESA-N 413.355 4.883 0 40 HJAB COc1cccc(-c2noc([C@H]3CCCN(C(=O)C45CC6CC(CC(C6)C4)C5)C3)n2)c1 12144491 GZRJAZHQQCVTPK-YZOPDKEQSA-N 421.541 4.668 0 40 HJAB Cc1oc(-c2ccccc2)nc1Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O 12414777 KAZAVSPMPWIRCT-UHFFFAOYSA-N 416.868 4.828 0 40 HJAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 12581651 PMXYVQRBOYHCMM-IYBDPMFKSA-N 413.901 4.517 0 40 HJAB Cc1nc(S[C@H](C)C(=O)c2ccc(Br)cc2)n(C[C@H]2CCCO2)c1C 12603402 KZBYGVJVWHGZQE-RHSMWYFYSA-N 423.376 4.805 0 40 HJAB CCOc1cc(C(=O)N2CC=C(c3ccccc3)CC2)cc(Br)c1OC 14285734 XCVALKJIFIQZNK-UHFFFAOYSA-N 416.315 4.786 0 40 HJAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(C)ccc3C)cc2)cc1 15438954 IQIIMDLRYIJALC-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3n[nH]c4c3CCCC4)c2)cc1 19690710 LFRGECNRUFRTJV-HSZRJFAPSA-N 416.525 4.645 0 40 HJAB Cc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)c3ccc(N)nc3)CC2)n1 19691872 HAEUFUXXUAVUAH-UHFFFAOYSA-N 420.944 4.631 0 40 HJAB COc1cccc([C@@H]2CCCN2C(=O)CCc2c(C)nn(-c3ccccc3)c2C)c1 19717246 LLWAIYJFSQRORY-DEOSSOPVSA-N 403.526 4.794 0 40 HJAB C[C@H](NC(=O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccccn1 19748826 KAZXUJIDAPYBDR-INIZCTEOSA-N 405.464 4.580 0 40 HJAB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C)c1ccccc1 20048273 SMMVINFDQBUUCX-JOCHJYFZSA-N 422.550 4.985 0 40 HJAB Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 20106071 XVMMHCMKDKULBC-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCOc1cccc(CNC(=O)COc2ccc3ccccc3c2Br)c1 20452890 WXCNTZCRAOSUGU-UHFFFAOYSA-N 414.299 4.696 0 40 HJAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2I)cc1 20461044 HBOZNVZNYYQLHA-SFHVURJKSA-N 423.294 4.817 0 40 HJAB COc1cc(C(=O)N(Cc2c(C)noc2C)c2ccccc2)cc(Cl)c1OC 22135167 OZQOTDQAUZGHRJ-UHFFFAOYSA-N 400.862 4.809 0 40 HJAB Cc1noc(C)c1COc1ccccc1C(=O)NCc1coc(-c2cccs2)n1 23074906 RBQVZSXSBWATBL-UHFFFAOYSA-N 409.467 4.517 0 40 HJAB Cc1noc(-c2ccc(C(=O)N(Cc3cccc(Br)c3)C3CC3)cc2)n1 25090763 AFMNURLWILKJSH-UHFFFAOYSA-N 412.287 4.612 0 40 HJAB Cc1ccc(C(C)C)c(OCc2n[n+](C[C@H](O)c3ccccc3)c3n2CCCCC3)c1 26441735 HBJXJWWZVRTLLE-QHCPKHFHSA-N 420.577 4.641 0 40 HJAB CCOc1ccc(C(=O)N(Cc2ccc(Br)o2)c2ccccn2)cc1 28288838 AMWAEVCQYADNTJ-UHFFFAOYSA-N 401.260 4.683 0 40 HJAB C[C@@H]1Oc2ccc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc2NC1=O 32772803 VDQFGILVSTUUDQ-BTYIYWSLSA-N 404.491 4.878 0 40 HJAB COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(C(C)C)cc1)c1nccn1C 32802524 CTZCARFWINPMPN-VGSWGCGISA-N 406.530 4.702 0 40 HJAB CCOc1cc(/C=C2\C(=O)N(c3ccccc3Cl)C(=O)N=C2O)cc(Cl)c1O 38165763 MCKYZAHVGJTDLS-XFFZJAGNSA-N 421.236 4.604 0 40 HJAB Cc1nn(Cc2ccccc2)c(Cl)c1CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 40153569 NYCXYLPFLAMEEU-GOSISDBHSA-N 420.948 4.667 0 40 HJAB Cc1nn2c(ncc3c(=O)n(Cc4ccccc4Cl)ccc32)c1-c1ccc(F)cc1 40396912 FOHPRVYZDMOADS-UHFFFAOYSA-N 418.859 4.860 0 40 HJAB Cc1cccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3oc(C)cc3n2)c1 41089693 WHYZKSJVZWXQHW-UHFFFAOYSA-N 420.494 4.841 0 40 HJAB O=C(CSCc1ccccc1Cl)NCc1ccc(CN2CCCCC2)cc1 44873314 ODXTXAOHMHSHPS-UHFFFAOYSA-N 402.991 4.876 0 40 HJAB Cc1ncc(CN(C)C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)s1 58281414 BBJMBJBZAXBLEJ-UHFFFAOYSA-N 404.511 4.773 0 40 HJAB Cc1cc(=O)oc2cc(NC(=O)N(C)[C@H](c3cccc(F)c3)c3ccccn3)ccc12 58363696 OYYQTWWAYCCLOB-HSZRJFAPSA-N 417.440 4.889 0 40 HJAB O=C(NCCc1ccccc1)c1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1 65126234 INLWCVGKCVTUOV-UHFFFAOYSA-N 417.490 4.628 0 40 HJAB COc1cccc(Cn2c(SCc3cccc(F)c3)nc3ccccc3c2=O)c1 67258776 FHYMLQQEXDMYKT-UHFFFAOYSA-N 406.482 4.885 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)Nc1cccnc1Cl)C(F)(F)F 72311236 VLOYFNGJSNUWCS-INIZCTEOSA-N 423.826 4.963 0 40 HJAB Cc1ccccc1CN1CCC(c2nnc([C@@H]3CCCCN3C(=O)CC(C)C)o2)CC1 72344951 VKSMNBRKQZFZTK-QFIPXVFZSA-N 424.589 4.857 0 40 HJAB Cc1c(C(=O)N[C@H](C)c2nc3ccccc3n2C)oc2ccc(Br)cc12 78823411 DOCUTAYAPQFESF-GFCCVEGCSA-N 412.287 4.881 0 40 HJAB CCOc1ccc(-n2c(SCc3nnc(C)n3CC)nnc2-c2ccccc2)cc1 95393553 UTZQPXPALZLFGO-UHFFFAOYSA-N 420.542 4.545 0 40 HJAB O=C(NCCc1ccco1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344054 QMKBDGWDXRRKEI-HSZRJFAPSA-N 420.553 4.823 0 40 HJAB Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)c(C)c1 101025187 GRSVHQCKZAIOBQ-JRFVFWCSSA-N 412.489 4.663 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1 136688099 IQZBELLKHIHFDQ-QMIHWGKISA-N 408.885 4.602 0 40 HJAB COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1ccc(N3CCCCC3)cc1)cn2C 141556634 NNYVQMLUMGLNKN-GOSISDBHSA-N 405.542 4.538 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](CC)C(=O)NC(C)C)cc1 222890479 ANIAJAPADXMZHR-XMMPIXPASA-N 424.585 4.522 0 40 HJAB Cc1ccccc1CSCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCC1 223720597 WMHMTWWCLGHSIE-HXUWFJFHSA-N 424.610 4.704 0 40 HJAB O=C(NCc1ccccc1CN1CCCC1)c1ccccc1OCc1ccccc1 224782351 DWHCOEGDYUJDEI-UHFFFAOYSA-N 400.522 4.791 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 225015591 KPISSBCHDZMNSS-VQTJNVASSA-N 412.599 4.809 0 40 HJAB COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc2sc(N)nc12 226312500 HKXACMWYECUEAK-MRVPVSSYSA-N 412.298 4.600 0 40 HJAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 408558899 WNQIRDMZNFEJCW-UHFFFAOYSA-N 424.472 4.863 0 40 HJAB CC(C)(C)C(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 408624891 DFSBLSSEBZFJJT-UHFFFAOYSA-N 403.891 4.713 0 40 HJAB Cc1nc(O)cc(-c2ccc(NC(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@@H]43)cc2)n1 513530089 HIFOPWASNBXHLT-XPNTWCBSSA-N 414.509 4.958 0 40 HJAB O=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 1740816365 BDYMMFSJTXSLOQ-UHFFFAOYSA-N 424.280 4.787 0 40 HJAB O=C(c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CCCCC1 865279 ZPKSZVCRNJOYCT-KGLIPLIRSA-N 412.843 4.823 0 40 HJAB Cc1sc2nc(SCC(=O)Nc3ccccc3)n(-c3ccccc3)c(=O)c2c1C 907484 OLLQSIGHWJCOPB-UHFFFAOYSA-N 421.547 4.795 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)cc1 976359 JHRFAYXAPVIOSQ-UHFFFAOYSA-N 405.479 4.769 0 40 HJAB Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1NC(=O)C(C)C 993100 YMFFJOXZWVNHGE-UHFFFAOYSA-N 408.281 4.936 0 40 HJAB CCOc1cccc(-c2cc(C(=O)Nc3ccc(C(N)=O)cc3)c3ccccc3n2)c1 1002392 JHNJGYGMRHKXIA-UHFFFAOYSA-N 411.461 4.652 0 40 HJAB Cc1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c(O)c1 1181426 UIGBQJGHJGUULM-UHFFFAOYSA-N 415.312 4.743 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@H](c3cc4ccc(OC)cc4nc3Cl)C2)cc1 1261173 PRVQKOJAGINRSS-NRFANRHFSA-N 409.873 4.603 0 40 HJAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)c1ccco1)c1ccc(F)cc1 1380052 JZBRBXZZPICNAT-HXUWFJFHSA-N 412.486 4.927 0 40 HJAB O=C(NC(=O)[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 1704682 JCPOLBUTTMYORE-IBGZPJMESA-N 412.272 4.917 0 40 HJAB COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2407233 AEFMEPLTHCOGMG-HXUWFJFHSA-N 421.836 4.793 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(C[C@H]1CCCO1)C3=O 2421835 SGSOBPFEIVZVFE-DYESRHJHSA-N 423.896 4.787 0 40 HJAB CN(C)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)cc1 2503078 BQXPVPCPYBTVIL-UHFFFAOYSA-N 411.461 4.949 0 40 HJAB C[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(F)cc1 3485679 WTKWSLLRGRGOAG-CYBMUJFWSA-N 402.263 4.998 0 40 HJAB CCOc1cccc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)c1 4089771 GCZYHWFXGFYXSQ-UHFFFAOYSA-N 407.333 4.591 0 40 HJAB CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H]1CCc2ccccc2C1=O 4130623 KNRDFPKLWOKZGA-GOSISDBHSA-N 413.930 4.820 0 40 HJAB Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCN(c4ccccc4)CC3)sc21 5249615 KYTYUPIUBHYHNW-UHFFFAOYSA-N 416.550 4.666 0 40 HJAB CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)NC1=S 5509685 STZCTNGLNDEBCI-JYRVWZFOSA-N 400.809 4.696 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)c1 6352381 UUCRHYWTQSLFGM-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccccc3)sc2c1 6648282 KKBFUAVSFWBIAG-UHFFFAOYSA-N 408.504 4.619 0 40 HJAB COc1ccc(OCc2nc3c4c(C)c(C)n(C5CCCCC5)c4ncn3n2)cc1 6759767 RASWRZKIJHOXSY-UHFFFAOYSA-N 405.502 4.789 0 40 HJAB Cc1occc1-c1nnc(S[C@H](C(=O)N(C)C)c2ccccc2)n1-c1ccccc1 6830491 SNKRSXZYZRIVCZ-FQEVSTJZSA-N 418.522 4.757 0 40 HJAB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(/Sc1nc2ccccc2o1)C(=O)O 7365552 UCJUEBRMWSSKDE-LDADJPATSA-N 413.455 4.800 0 40 HJAB Cc1sc2nc(CN3CCC(C)CC3)nc(Sc3nnc(C4CC4)o3)c2c1C 8198747 GWXYENPPVOFJCD-UHFFFAOYSA-N 415.588 4.952 0 40 HJAB CCOC(=O)c1c(NC(=O)CN2CCCC[C@@H]2C)sc(-c2ccccc2)c1C 8428906 XGJMTHRJMFWSGM-HNNXBMFYSA-N 400.544 4.713 0 40 HJAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2c(C)cc(C)cc2C)n1 8491093 DECCUAWGTSMQCD-UHFFFAOYSA-N 416.934 4.790 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c(C)c1 8495720 PWTUCFDGVMBFTQ-HXUWFJFHSA-N 416.521 4.682 0 40 HJAB Cc1cc(C)cc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)c1 8904338 CZEULQZMWMFQML-UHFFFAOYSA-N 413.949 4.514 0 40 HJAB COc1ccc([C@H](CNC(=O)COc2ccc(C(C)C)cc2)N2CCCCC2)cc1 8916080 JOBUFYUIYPDFAU-DEOSSOPVSA-N 410.558 4.541 0 40 HJAB Fc1ccc(CSc2nnc(-c3ccc(I)cc3)o2)cc1 9200483 VTTUFKXEYBEVFT-UHFFFAOYSA-N 412.227 4.773 0 40 HJAB O=C(Cc1csc(-c2cccc(Oc3ccccc3)c2)n1)OCC(=O)c1ccc[nH]1 10418932 OWYAMRRZJBAEFF-UHFFFAOYSA-N 418.474 4.899 0 40 HJAB COc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1N1CCCC1=O 11257363 WICJCZNCGXUFQI-LBPRGKRZSA-N 423.296 4.535 0 40 HJAB CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)O 11565862 VSNKNGUZJKEGIF-UHFFFAOYSA-N 405.516 4.662 0 40 HJAB CC[C@H](C)Sc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1 11758353 LAMHIBQTZLIGPW-INIZCTEOSA-N 424.595 4.836 0 40 HJAB COc1ccc(-n2c(SCc3nnc(C)o3)nnc2-c2ccc(Cl)cc2)cc1 12597842 UFULZPXHENJPLA-UHFFFAOYSA-N 413.890 4.580 0 40 HJAB C[C@@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)C(=O)N1CCCc2ccccc21 12810867 OPHLDNVOZUVUOO-NRMKIYEFSA-N 408.502 4.574 0 40 HJAB COc1ccc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)c(OC)c1 12902682 IHKBLSMNRBZSOZ-UHFFFAOYSA-N 400.525 4.598 0 40 HJAB COc1ccc(-c2cc(NC(=O)c3nc(SC)ncc3Cl)ccc2OC)cc1 12907005 WFRXVQDAVFULFI-UHFFFAOYSA-N 415.902 4.788 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2n[nH]c(/C=C/c3ccc(F)cc3)n2)c1C 12974294 SEOXLNLHVNBOFE-DNGMOHDESA-N 412.490 4.625 0 40 HJAB CC[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N(c1ccccc1)S(C)(=O)=O 13711663 WSAPRHWNXQNRNX-NRFANRHFSA-N 424.522 4.662 0 40 HJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2cccc(Cl)c2)c1 15590224 LFSBXOFAKISTFF-UHFFFAOYSA-N 400.935 4.618 0 40 HJAB CCc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4Cl)cc3n2)cc1 17087546 OBUGMPRVLJZEFG-UHFFFAOYSA-N 406.873 4.654 0 40 HJAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccccc1Cl 17089701 PQHAJXPUSQJCMJ-UHFFFAOYSA-N 413.724 4.546 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C)c1 17961876 KGEOACOOXXPPGE-UHFFFAOYSA-N 403.526 4.683 0 40 HJAB COc1cccc(CN2CCC[C@H]2c2nnc(-c3nccc4ccccc34)o2)c1OC 19567861 YBFYUNHQWUFWKF-IBGZPJMESA-N 416.481 4.639 0 40 HJAB Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2cccc(C)c2)C4)cc1 20796090 XMTZLXNIOZHFGF-IBGZPJMESA-N 414.534 4.946 0 40 HJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCCNC(=O)c1ccc(Cl)cc1 21915170 SNJWXWHLDIXTLU-UHFFFAOYSA-N 412.839 4.527 0 40 HJAB CC(C)c1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1 27662504 AYKMFFYNQYHVFF-NRFANRHFSA-N 400.588 4.984 0 40 HJAB C[C@@H](OC(=O)CSc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1Cl 28695630 WVMOQYHAQXIQNU-SNVBAGLBSA-N 402.274 4.795 0 40 HJAB O=C(NCc1ccccc1)C1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)CC1 29192107 ZXBFJLNHOXNBET-UHFFFAOYSA-N 409.917 4.523 0 40 HJAB CCCCCCOc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 30909803 VUHHPUUOHVKJRR-UHFFFAOYSA-N 422.569 4.814 0 40 HJAB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCc2ccccc2Cn2ccnc2)c1 32902833 AEHBUWKKHJYDDX-UHFFFAOYSA-N 423.516 4.709 0 40 HJAB CCOc1ccc([C@H](NC(=O)CCCNC(=O)c2ccsc2)c2ccccc2)cc1 32914825 BIPXHCDGAWEIEH-HSZRJFAPSA-N 422.550 4.563 0 40 HJAB C[C@H](Cc1nnc(SCC(=O)N[C@@H]2CCCc3ccccc32)o1)c1ccccc1 32957347 LYNTZLZLYNNSRN-OXQOHEQNSA-N 407.539 4.702 0 40 HJAB CC(C)(C)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(N)=O)cc1 34704212 HTSWUHRYGGCYRZ-VKAVYKQESA-N 414.505 4.661 0 40 HJAB Cc1ccc(-c2csc3c(=O)n(CC(=O)Nc4c(C)cc(C)cc4C)cnc23)cc1 38651719 GBVJCBNQYHRWOP-UHFFFAOYSA-N 417.534 4.997 0 40 HJAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCCCCCCCN1CCCC1 48285987 PETVDHUDUSDZFE-UHFFFAOYSA-N 419.516 4.715 0 40 HJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 57817861 OQDQCRIFWFKRHQ-IBGZPJMESA-N 402.922 4.526 0 40 HJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 60510311 MMNTUQJKWONDRR-CQSZACIVSA-N 414.914 4.982 0 40 HJAB Cc1cc(SCC(=O)NCCc2ccc(Cl)cc2)nc(-c2ccc(F)cc2)n1 67257221 CYTRRRVRPSKSSQ-UHFFFAOYSA-N 415.921 4.696 0 40 HJAB CCOc1ccc(CNC(=O)c2sc(NC3CCCCC3)nc2C)cc1OCC 71326690 VMQDJVIYZQWKTG-UHFFFAOYSA-N 417.575 4.924 0 40 HJAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1cccc(Cl)c1 72377142 RAVLSGWLOJVODT-INIZCTEOSA-N 413.934 4.512 0 40 HJAB COc1ccc2cc([C@H]3CC(c4ccccc4OC)=NN3C(C)=O)c(Cl)nc2c1 89930433 PCVAWOKBWLRKGE-HXUWFJFHSA-N 409.873 4.603 0 40 HJAB CC[C@@H](C(=O)N1CCc2nc(NC(=O)c3ccsc3)sc2C1)c1ccccc1 90582872 JJGVOOGKUDKCOE-MRXNPFEDSA-N 411.552 4.535 0 40 HJAB CC(C)c1cccc(C(C)C)c1NCCOC(=O)c1cccc(CS(C)(=O)=O)c1 95450771 DNAZERNRKBMTJV-UHFFFAOYSA-N 417.571 4.747 0 40 HJAB O=C(NCCn1ccc(-c2cccs2)n1)C1c2ccccc2Oc2ccccc21 96103853 WYMLQGHQTYUAGB-UHFFFAOYSA-N 401.491 4.666 0 40 HJAB COc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)ccc1OCc1csc(C)n1 96814854 YQKJQNBLYSPQFT-VXLYETTFSA-N 420.490 4.692 0 40 HJAB CCOc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 98073040 CAOUOPFTXHAMEF-UHFFFAOYSA-N 424.238 4.667 0 40 HJAB CCOC(=O)[C@@H](C(=O)CSc1nc(-c2ccccc2)cs1)c1nc(C)cs1 103076155 DWHMZHOJPCCTEJ-INIZCTEOSA-N 418.565 4.583 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 103150478 ORDAOOOJFRTHML-RCRDTURJSA-N 405.329 4.828 0 40 HJAB CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220733869 BUKAOJOXVGHWJC-IBGZPJMESA-N 422.978 4.757 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222864748 WSWBJDYHDCYSFC-KRWDZBQOSA-N 416.562 4.558 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 223075459 PNOMTIIPKWLQDD-SFHVURJKSA-N 400.950 4.525 0 40 HJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 223140175 JWQJIEBFYDSOPZ-FQEVSTJZSA-N 418.990 4.517 0 40 HJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1 223358201 ZYACEUSRSIFFLI-OAHLLOKOSA-N 413.905 4.906 0 40 HJAB COc1ccc(CN(C(C)=O)[C@@H](C(=O)NCCC2=CCCCC2)c2ccccc2)cc1 223540474 LPBMJRGXMDHJMS-RUZDIDTESA-N 420.553 4.792 0 40 HJAB Cc1ccccc1CN1CCC(C(=O)NCCOc2cccc3ccccc23)CC1 223554671 KHKRDYDPXXFCPO-UHFFFAOYSA-N 402.538 4.555 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Oc2cccc3c2CCCC3)CC1 223567115 NJHQGYPKECPGPE-GOSISDBHSA-N 412.961 4.643 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 223815302 NYHNPFPPTPNRIK-HSZRJFAPSA-N 412.549 4.709 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)c1 224271600 OTXNQDKKKAMDIQ-IBGZPJMESA-N 414.977 4.689 0 40 HJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCSC2CCCCC2)c1 224811964 RFUYFTXUACWRRL-PGMHBOJBSA-N 412.555 4.541 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 225223905 BAVIVJSHCLNHBA-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB COc1cc2c(cc1S(=O)(=O)Nc1ccc(OC3CCCC3)cc1)CCCC2 225538939 WSWMNNWYYGXAMD-UHFFFAOYSA-N 401.528 4.696 0 40 HJAB Cc1cc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)ccc1F 225602847 OQQANTZSUDITBC-UHFFFAOYSA-N 408.347 4.653 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 225720403 NGCZYHHCMJIGIL-JOCHJYFZSA-N 412.599 4.560 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)ccc1OCC(C)C 225832114 WBZCJMWUXBULKF-GAJHUEQPSA-N 405.535 4.822 0 40 HJAB Cc1cc(C)nc(Nc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)n1 225913819 XPLJJSZCERBGEO-UHFFFAOYSA-N 400.526 4.932 0 40 HJAB COc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)cc1Br 226262999 IJEDYRYQPQRSBY-CYBMUJFWSA-N 418.335 4.671 0 40 HJAB Cc1nc(Nc2ncc(C)s2)cc(C2CCN(C(=O)CC3CCCCC3)CC2)n1 257316969 VHSYWRMILQFDFG-UHFFFAOYSA-N 413.591 4.970 0 40 HJAB COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cc(-c3ccc(C)o3)[nH]n2)C1 1136903789 MEFCXABFLWCZMI-OAHLLOKOSA-N 413.905 4.735 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2C)c(C)c1 682080 CEBYZMUOOUTDGH-UHFFFAOYSA-N 424.570 4.667 0 40 HJAB CCCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1c(C)cccc1C 687300 CJFVLYKFGXBHEY-UHFFFAOYSA-N 408.571 4.821 0 40 HJAB CC(C)(C)C(=O)[C@H](Oc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1Cl 1081426 SJDRWLQBNZCZBG-INIZCTEOSA-N 424.280 4.693 0 40 HJAB CCOc1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)ccc1OC(C)=O 1444726 ISDLTBSNILPQQZ-UYRXBGFRSA-N 407.466 4.653 0 40 HJAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2c(C)cccc2C(C)C)cc1 3354051 GJFZSWVSUPYILY-DTQAZKPQSA-N 414.571 4.801 0 40 HJAB CCOc1ccc2nc(NC(=O)CCC(=O)O[C@@H]3CC[C@@H](C)[C@H](C)C3)sc2c1 4112027 HPDUZEAHPLHGLC-IIAWOOMASA-N 404.532 4.782 0 40 HJAB Cc1cccc(C(=O)n2nc(NCc3cccs3)nc2NCc2cccs2)c1 4723831 CSGSRFOTHWCORS-UHFFFAOYSA-N 409.540 4.622 0 40 HJAB CCCc1oc2cc(C)c(NS(=O)(=O)c3ccccc3)cc2c1C(=O)OCC 4735810 CGMUSUUEXXCZDF-UHFFFAOYSA-N 401.484 4.671 0 40 HJAB COc1cc(NC(=O)c2cccs2)c(C(=O)c2ccccc2Cl)cc1OC 4739299 ACXSANMURMEGIZ-UHFFFAOYSA-N 401.871 4.902 0 40 HJAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1C 4910865 GLHBWGKNDPHFIE-IBGZPJMESA-N 405.542 4.847 0 40 HJAB CC(=O)Nc1nc2n(n1)[C@H](c1ccccc1Cl)C[C@@H](c1ccc(Cl)cc1)N2 5157874 UJZBNLCNDSLHTC-IRXDYDNUSA-N 402.285 4.690 0 40 HJAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(C)c(F)c4)c(=O)c23)s1 5352095 PHXDYUIEZHHMFP-UHFFFAOYSA-N 413.499 4.581 0 40 HJAB CCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(O)nn2C1CCCCCC1 5673373 NIJSTSVLIPVAQT-IBGZPJMESA-N 401.532 4.657 0 40 HJAB Cc1ccc(C2=Nc3ccc(C)cc3C(c3ccc(N4CCOCC4)cc3)=NN2)cc1 6245049 WADLWJCEJBASPE-UHFFFAOYSA-N 410.521 4.574 0 40 HJAB COc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1OCCC(C)C 6317549 SARYNZFAWAOMRJ-UHFFFAOYSA-N 416.949 4.736 0 40 HJAB Cc1sc2nc([C@@H](C)OC(=O)C(C)(C)Oc3ccc(Cl)cc3)[nH]c(=O)c2c1C 6353572 LWNIPULFXJYFSE-LLVKDONJSA-N 420.918 4.717 0 40 HJAB C[C@@H](Sc1nccn1C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 6369947 RHCJUKFGWCRMBQ-DYVFJYSZSA-N 414.918 4.525 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc(C2CC2)n1Cc1ccccc1 6531992 XHPWRHFCTNCPAL-DLBZAZTESA-N 418.566 4.662 0 40 HJAB COc1ccc(C(=O)Oc2cc(-c3cccc(OC)c3)c3oc(=O)sc3c2)cc1 6809718 CVNSUOLPZPPCEO-UHFFFAOYSA-N 408.431 4.758 0 40 HJAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)c1C 7777383 XACDAXDNDYJBCP-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)C)cc2)CC1=O 7928753 DATWNKPQITVILC-CQSZACIVSA-N 401.890 4.605 0 40 HJAB COCCn1c(SCc2ccc(OC)c(F)c2)nnc1-c1ccc(Cl)cc1 8230469 WWQNKSGJQWUDAC-UHFFFAOYSA-N 407.898 4.685 0 40 HJAB COC(=O)c1c(COC(=O)CCCc2c[nH]c3ccccc23)nc2ccccc2c1C 8291667 YGZKUNXUXIJPOQ-UHFFFAOYSA-N 416.477 4.877 0 40 HJAB COc1ccc2oc(-c3c(Br)cc(Br)c(N)c3C)nc2c1 8702112 SAMBEOPJUJNSNB-UHFFFAOYSA-N 412.081 4.919 0 40 HJAB Cc1nc(COc2ccc(C(=O)N(C)Cc3ccccc3N3CCCC3)cc2)cs1 8776096 SCKAUBURZRTDPI-UHFFFAOYSA-N 421.566 4.903 0 40 HJAB COc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)c1OC 8791341 DHVVCZQIWNBTEH-UHFFFAOYSA-N 410.282 4.781 0 40 HJAB O=C(Cc1csc(SCc2ccc(F)cc2)n1)Nc1ccc2c(c1)OCCO2 8854134 GOXDNVQIAQDQDT-UHFFFAOYSA-N 416.499 4.527 0 40 HJAB CCc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)cc1 10325217 FAMVKTDTZCMOBC-KRWDZBQOSA-N 420.534 4.641 0 40 HJAB O=C1CCc2cc(-c3csc(NC(=O)c4ccc(OC(F)F)cc4)n3)ccc2N1 11450491 PICHNAACFKDIQM-UHFFFAOYSA-N 415.421 4.549 0 40 HJAB COC(=O)C[C@@H](NC(=O)c1sc(-c2cccs2)nc1C)c1ccccc1Cl 12858750 VSOUCBFUPSINHV-CQSZACIVSA-N 420.943 4.868 0 40 HJAB CC(=O)Nc1ccc(NC(=O)COc2ccc(C3SCCCS3)cc2)cc1 12870582 AFNFUDNHAVUNDU-UHFFFAOYSA-N 402.541 4.531 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nc3ccccc23)N2CCCC2)cc1 14068667 YXOIZKQCEKHCNV-RUZDIDTESA-N 415.537 4.688 0 40 HJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc(OC)cc2)CC1=O 14095541 ZOCXDKAHHVVZTQ-IBGZPJMESA-N 421.541 4.630 0 40 HJAB CC(C)N(CCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C(C)C 14181727 ZRNICOUOVPSWCQ-UHFFFAOYSA-N 407.967 4.502 0 40 HJAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(C2SCCCS2)cc1 14182022 LMACZFGUJSFKJG-HNNXBMFYSA-N 403.569 4.820 0 40 HJAB FC(F)(F)CN(Cc1ccccc1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S 14200334 QYDGRIFDXJLIDY-UHFFFAOYSA-N 419.476 4.833 0 40 HJAB CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(OC)cc4)nccn3n2)cc1 16841619 KGYGJFGDGKIKDS-UHFFFAOYSA-N 418.522 4.698 0 40 HJAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc21 17316280 XBJMIGWIJGZATL-UHFFFAOYSA-N 420.534 4.708 0 40 HJAB O=C1CCSc2ccc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2N1 17960124 LKTHYPCVPAHMRD-UHFFFAOYSA-N 423.563 4.750 0 40 HJAB COc1cccc(CN2CCC([C@H](NC(=O)CC3CCCC3)c3ccccn3)CC2)c1 19564843 BKWCKBGCVMUCTN-SANMLTNESA-N 421.585 4.740 0 40 HJAB CCn1ncc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)c1C 19687438 OLBSZNBETYSQDI-OAQYLSRUSA-N 424.980 4.725 0 40 HJAB CCN(CC)CCNCc1cc(Br)ccc1OCc1ccc(F)cc1 22075547 ORWXTUVBPIGUBU-UHFFFAOYSA-N 409.343 4.599 0 40 HJAB Cc1ccc(C(=O)Nc2ccc3nc(C)n(-c4ccc(F)cc4)c(=O)c3c2)cc1C 23143906 FGBUEDLFYJVDRE-UHFFFAOYSA-N 401.441 4.702 0 40 HJAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccccc1Br 24931026 FHIJSVACZVCUBD-LJQANCHMSA-N 410.315 4.501 0 40 HJAB CN(C)[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccsc1 25330334 STALYDXOOINYOV-QFIPXVFZSA-N 416.550 4.634 0 40 HJAB Cc1ccc([C@@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CCCCC2)cc1 27581602 SXLPJZNVGBPHNO-JOCHJYFZSA-N 414.977 4.987 0 40 HJAB CN(C)c1ncccc1C(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 31714914 SRUKIPJJZQTNNN-UHFFFAOYSA-N 407.424 4.812 0 40 HJAB CC(C)Oc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 32285123 ZOSVNBHKFNMFBY-UHFFFAOYSA-N 410.495 4.527 0 40 HJAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCc3ccc(Cl)cc3)n2C)c1 33681202 SVNRHBXISXUNJH-CQSZACIVSA-N 400.935 4.560 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3F)c(Cl)c2)cc1 38772829 PJEHEELXJIIOAW-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB COc1cc(NC(=O)c2cc3ccccc3s2)c(C(=O)N2CCCCC2)cc1OC 40087627 VNFOQYYMGDJCGP-UHFFFAOYSA-N 424.522 4.797 0 40 HJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 44855664 FOIUUUHTFLRUOD-QHCPKHFHSA-N 422.569 4.634 0 40 HJAB CC(C)c1cccc(C(C)C)c1NC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 47698806 NXSKLHGGPDMNCG-UHFFFAOYSA-N 417.575 4.505 0 40 HJAB Cc1ccc(CN(Cc2cc(=O)n3ccsc3n2)[C@H]2CCc3ccccc32)cc1 48311528 UKKLNCCHCNVFKU-QFIPXVFZSA-N 401.535 4.754 0 40 HJAB CC(=O)c1cccc(Nc2c(C(=O)N3CCC[C@H](C)C3)cnc3nc(C)ccc23)c1 49005344 IGJRFLLDSZJRAG-HNNXBMFYSA-N 402.498 4.757 0 40 HJAB O=C(c1[nH]nc(-c2ccccc2)c1Br)N(Cc1cccs1)C1CC1 65106630 PVFLOEDILBUIKO-UHFFFAOYSA-N 402.317 4.706 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1C 98072981 PDHMRIFEFJPPRU-UHFFFAOYSA-N 408.239 4.886 0 40 HJAB O=CN(CCCC[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1)c1ccccc1 102679331 HSUJEVIVQKZGOF-QORCZRPOSA-N 404.554 4.908 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118926030 SMCQXKQWSCYFRG-DWKSCWABSA-N 416.558 4.628 0 40 HJAB COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c1 215151712 UDAOGHXTKAIULV-RQZCQDPDSA-N 407.850 4.733 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccccc3OC)N21 222683685 IJIZHLNZZIEXKY-URZJWIJPSA-N 404.539 4.860 0 40 HJAB CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 223343944 PPYCQISTMWBHRG-SANMLTNESA-N 414.549 4.916 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1 223779911 BNSSYJCZMNNUNQ-KRWDZBQOSA-N 418.990 4.517 0 40 HJAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 223950210 GGEQOKFTIDOLOR-JOCHJYFZSA-N 408.523 4.677 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCCCCC3)c2)cc1 223957761 LJHXWFNOYRJGJS-UHFFFAOYSA-N 400.544 4.639 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)cc1 224112273 PXBGBDGUDYNSBC-FQEVSTJZSA-N 412.599 4.585 0 40 HJAB Cc1cccc(CN(C(=O)CCSc2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 224145705 NXHQTOOLMFKPCN-HXUWFJFHSA-N 412.599 4.667 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@@H](C)c3ccccc3C)c2)cc1 224264025 YDKQELCSPBZUNS-IBGZPJMESA-N 422.550 4.620 0 40 HJAB Cc1ccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 224304606 CAWNGTVPGMEVNA-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CCN(c1ccc(C(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1 224354511 NOJMAIAAVYVUCH-UHFFFAOYSA-N 414.914 4.808 0 40 HJAB COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C(=O)OC)c3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 408625685 YXLGMTMTODVXIP-UNVOUTKZSA-N 405.494 4.865 0 40 HJAB O=C(CCNC(=O)OCc1ccccc1)OCC(=O)c1ccc(C2CCCCC2)cc1 408998282 AYKVKUDBVZJLHE-UHFFFAOYSA-N 423.509 4.777 0 40 HJAB Cc1ccc(-c2nn(CC(=O)Nc3ccc(Br)cc3)c(=S)o2)cc1 409164957 QEKBWAFNOHDCNZ-UHFFFAOYSA-N 404.289 4.582 0 40 HJAB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)=O 409357009 ICEBMARENMKTDM-LICLKQGHSA-N 403.843 4.515 0 40 HJAB Cc1cc(C)c(C[C@@H](C(=O)Nc2ccc(Cl)c(C(N)=O)c2)C(F)(F)F)c(C)c1 534402232 NOBLZOVPWDUCIB-INIZCTEOSA-N 412.839 4.724 0 40 HJAB Cc1nc(-c2ccccc2)sc1NC(=O)Cc1c(C)nn(CC(F)(F)F)c1C 544065249 LUMGNLMLTUWOKO-UHFFFAOYSA-N 408.449 4.675 0 40 HJAB Cc1nc2cc(C(=O)N(Cc3ccccc3)Cc3ccc(C(=O)O)cc3)ccc2o1 585091729 FUFJJSKQFXHPJS-UHFFFAOYSA-N 400.434 4.677 0 40 HJAB O=C(O)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1CCc1ccc(F)cc1 585266151 SCKFSVBKJCUGKW-UHFFFAOYSA-N 419.500 4.558 0 40 HJAB C[C@]1(CO)CCCN1C(=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1 1564126622 MJWGBLDXRKVVHV-HXUWFJFHSA-N 409.313 4.842 0 40 HJAB O=S(=O)(Nc1nc2ccc(Cl)cc2s1)c1ccc(Br)cc1 676989 UMCQLLMJTTXCBK-UHFFFAOYSA-N 403.710 4.513 0 40 HJAB Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 2336651 DAXGCNWFPPAFCX-UHFFFAOYSA-N 411.440 4.606 0 40 HJAB O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc(Cl)c1 2621693 OBOAJHRMDPGBFG-UHFFFAOYSA-N 419.912 4.555 0 40 HJAB Cc1ccc(OCCSc2nnc(-c3cccnc3)n2-c2ccccc2F)cc1 2634253 XTNQFRUERXESMA-UHFFFAOYSA-N 406.486 4.948 0 40 HJAB C[C@@H]1CCCN(c2nc3c(-c4cccc(Br)c4)nnn3c3ccccc23)C1 2713104 CUMCPPXWFWXIFH-CQSZACIVSA-N 422.330 4.943 0 40 HJAB CCOc1ccc(-n2c(SCc3ccc(C)cc3)nc3c(c2=O)SCC3)cc1 2719918 MZIJNCDOKDSGMB-UHFFFAOYSA-N 410.564 4.880 0 40 HJAB COc1cc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc(OC)c1OC 3449549 YXJKWKFZDXYLJX-UHFFFAOYSA-N 404.894 4.608 0 40 HJAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C(C)C)cc2)N2C(=O)CCSC2=N1 3652392 MRCNDHAYNNJRKA-FQEVSTJZSA-N 400.544 4.659 0 40 HJAB CCCCc1[nH]c(SCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)nc1C 4629792 DUPIOKNYDISPNO-UHFFFAOYSA-N 403.882 4.959 0 40 HJAB COc1ccc(C)cc1NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 4933897 JASXRGBGRMVILH-UHFFFAOYSA-N 403.554 4.711 0 40 HJAB CCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OCC 5249844 XFEVXYOLDKKGSF-IVYUTVGYSA-N 406.526 4.511 0 40 HJAB COc1ccc2sc(N(Cc3ccccn3)C(=O)Cc3ccc(F)cc3)nc2c1 5265010 WBTSHPNMMPDRIY-UHFFFAOYSA-N 407.470 4.615 0 40 HJAB CCCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 6073274 LGECLPZRJKGRQL-LJQANCHMSA-N 401.532 4.895 0 40 HJAB Cc1cc(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)no1 6787547 VKVRTRSPGSZTPY-UHFFFAOYSA-N 401.300 4.686 0 40 HJAB Cc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCC3)c3ccccc23)c(C)c1 6867165 ZLAKJMNYHHKHGY-UHFFFAOYSA-N 421.566 4.611 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(C(=O)NC2CC2)c1 8230633 HKEZDWJOXFDARK-UHFFFAOYSA-N 413.836 4.587 0 40 HJAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 8767107 ITYIHQAVUJWPAZ-MRXNPFEDSA-N 410.301 4.564 0 40 HJAB CSc1ccc(CN(C)C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 9791587 CCYNJISDKAYACT-NRFANRHFSA-N 400.544 4.718 0 40 HJAB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)cc3Cl)co2)n1 9829239 OPUVBFHHBODIPC-UHFFFAOYSA-N 423.277 4.557 0 40 HJAB CCC(=O)c1c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)sc(C)c1CC 9871046 CAQOXQKIKAAIIA-MRXNPFEDSA-N 402.541 4.653 0 40 HJAB CCN(CC)Cc1ccccc1CNC(=O)c1c(C)nn(-c2ccccc2)c1Cl 10283620 RLWISNZXIWFDFR-UHFFFAOYSA-N 410.949 4.606 0 40 HJAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccccc4C)cc3C[C@@H]2C)cc1 10326545 LHEABZWEQNNUCX-SFHVURJKSA-N 420.534 4.696 0 40 HJAB Cc1ccc(N(CCCC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1C 10330300 CFBIDVCQFJXFBN-UHFFFAOYSA-N 416.587 4.920 0 40 HJAB Cc1cc(C(=O)N[C@H](C)c2ccccc2Br)c2cnn(C(C)C)c2n1 10965771 XLQYJZSMYLWGHR-CYBMUJFWSA-N 401.308 4.574 0 40 HJAB Cc1cnc2c(c1)cc(C1CCOCC1)n2CC(=O)N(Cc1ccccc1)C(C)C 12234883 VABHWWVQVCUHOC-UHFFFAOYSA-N 405.542 4.676 0 40 HJAB O=C(CNc1cc(Cl)ccc1N1CCOCC1)Nc1ccc(-c2ccccc2)cc1 12525016 FBXJAWOQZZLFQT-UHFFFAOYSA-N 421.928 4.894 0 40 HJAB Cc1ccccc1Nc1nnc(SCC(=O)c2cccc(N3CCCC3=O)c2)s1 12534838 SSVMEXZNMGQBDW-UHFFFAOYSA-N 424.551 4.692 0 40 HJAB Brc1ccccc1-c1n[nH]c(SCc2nc(-c3ccccc3)no2)n1 12569306 AOTNADWYSXEECY-UHFFFAOYSA-N 414.288 4.577 0 40 HJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nc3ccccc3s2)c1 12733150 SNKNQYWMFDRSHC-QGZVFWFLSA-N 414.552 4.769 0 40 HJAB CSc1ncccc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C 12783839 ZHVAQHVJAPZUAD-UHFFFAOYSA-N 402.907 4.558 0 40 HJAB COc1ccccc1[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 12891290 UDOJVDYYJWRAHT-QZTJIDSGSA-N 402.494 4.604 0 40 HJAB Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 12977580 HSCVIBALOHRJQC-SFHVURJKSA-N 404.466 4.871 0 40 HJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(Cl)cc1C 13568056 ZCFRDKDKISGPLY-UHFFFAOYSA-N 423.856 4.878 0 40 HJAB O=C(C1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1)N1CCCCCC1 14138811 XTLKBNNYJNFBJF-UHFFFAOYSA-N 420.582 4.977 0 40 HJAB O=C(NC(=O)[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 17427043 JCPOLBUTTMYORE-LJQANCHMSA-N 412.272 4.917 0 40 HJAB CC(C)CC(=O)N1CC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 19446251 MRULFJKLHNZSRE-CYBMUJFWSA-N 422.476 4.839 0 40 HJAB CC(C)c1nc([C@@H](Cc2c[nH]c3ccccc23)NCc2cccc(F)c2)cc(=O)[nH]1 19453486 QNSQSCASLGURND-OAQYLSRUSA-N 404.489 4.587 0 40 HJAB CC(C)n1cnc2cc(C(=O)N3CCc4onc(-c5cccc(F)c5)c4C3)ccc21 19455008 SZZDCPUBGNMWAG-UHFFFAOYSA-N 404.445 4.610 0 40 HJAB CCn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1ccc(Br)cc1 19927679 PIJFUXXTHKLSCI-UHFFFAOYSA-N 418.316 4.718 0 40 HJAB O=C(NC1CCCCCCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 20479584 WDHUPQJLNTUTFF-WMLDXEAASA-N 410.440 4.979 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnc2scc(-c3ccccc3)n2c1=O 20530481 UYDRJSCCCFKFAU-UHFFFAOYSA-N 415.396 4.694 0 40 HJAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)c(Br)c3)n2)cc1 20765162 UKQRAMUMEGRQTF-UHFFFAOYSA-N 417.332 4.582 0 40 HJAB O=C1c2ccccc2N[C@H](c2cc(Br)ccc2OC(F)F)N1C1CC1 21360820 AJSKVSDLSRGRIV-INIZCTEOSA-N 409.230 4.779 0 40 HJAB Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(Br)cc3F)CC2)c(C)c1 24454274 ZSPIGCIMOGCFSL-UHFFFAOYSA-N 418.306 4.940 0 40 HJAB Cc1ccc(CN(C(=O)c2cc(=O)c3cc(C)c(Cl)cc3o2)c2ccccn2)o1 27757685 HMLPJIPXACWYHJ-UHFFFAOYSA-N 408.841 4.898 0 40 HJAB COC(=O)c1cccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 30946503 HNZHBLHQJQMAQL-UHFFFAOYSA-N 421.324 4.631 0 40 HJAB c1ccc2nc(Nc3ccc4c(c3)OCO4)c(Nc3ccc4c(c3)OCO4)nc2c1 32647063 AXWXPOMNKOJNHA-UHFFFAOYSA-N 400.394 4.574 0 40 HJAB CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccccc2OC(F)F)cc1 32752703 UHRFGOFSMYSWCH-UHFFFAOYSA-N 418.469 4.723 0 40 HJAB COc1ccc(CNC(=O)CSC(c2ccccc2)c2ccccc2)cc1OC 32794126 YRLSYVLPWBMKGV-UHFFFAOYSA-N 407.535 4.843 0 40 HJAB Cc1cc(C)cc(-c2nn(CN3CCC[C@H]3c3nnc4n3CCCCC4)c(=S)o2)c1 32935387 FFAGEQLFZRTBPS-SFHVURJKSA-N 424.574 4.602 0 40 HJAB COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccccc3F)n2)c1 33327357 JYZCOKZDAXRPSF-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1[C@@H]1COc2ccccc2O1 36209656 ZTQVFURDRKLSJM-INIZCTEOSA-N 407.417 4.639 0 40 HJAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1csc(-c2ncccn2)n1 47195948 BTTGFBRVTABWIK-UHFFFAOYSA-N 418.322 4.890 0 40 HJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCc2sccc2[C@H]1c1ccccc1 58055088 ZBCXATASWJDWBZ-NZQKXSOJSA-N 421.566 4.835 0 40 HJAB O=c1ccccn1CCSc1nnc(Nc2ccc(SC(F)F)cc2)s1 58141072 NMQJNBGZYMBHSW-UHFFFAOYSA-N 412.512 4.550 0 40 HJAB CCCN(C)c1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)N(CC)CC)cc2)cc1 63936370 AAJXOXBMWRLEOZ-GOSISDBHSA-N 410.562 4.898 0 40 HJAB C[C@@H]1CCc2onc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccc(Cl)cc3)c2C1 72396985 JJRHFXFKYMQIRY-KUHUBIRLSA-N 424.932 4.505 0 40 HJAB CC(C)CNC(=O)C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 96053510 KMFULCUSOCOWDQ-HXUWFJFHSA-N 412.599 4.811 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(O)c(Cl)c2)S1 96117976 HUNUMULTIMQUBO-LRDDRELGSA-N 407.923 4.552 0 40 HJAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 100288455 WUHRBTQZVLIGIB-UPCLLVRISA-N 410.514 4.603 0 40 HJAB Clc1cccc(Cl)c1[C@@H]1C=C(c2ccc(Br)cc2)Nc2nnnn21 101070124 BKAZYQPCOZVMGA-AWEZNQCLSA-N 423.101 4.798 0 40 HJAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1 103717332 TWSXSIYMGGKTEU-ZDUSSCGKSA-N 421.722 4.657 0 40 HJAB COc1cc(C(=S)N2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl 107671382 WJHBSHZCMFWTSZ-UHFFFAOYSA-N 412.338 4.589 0 40 HJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1Cc1nc(C2CC2)no1 206669282 LBCHFDWDKYXEFN-UHFFFAOYSA-N 401.388 4.738 0 40 HJAB CCn1c(S/C(=C\c2cc(C)n(C)c2C)C(=O)O)nnc1-c1ccc(Cl)cc1 211522559 ZIPUJDBRLMBHHV-BOPFTXTBSA-N 416.934 4.792 0 40 HJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219335075 GQRVFNNFFZEFJE-IBGZPJMESA-N 413.905 4.823 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4nccs4)c3C)N21 222675055 FALINYJHFWFHQM-AYOQOUSVSA-N 409.584 4.925 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 223177699 HAVBZHMYFUFCQB-FQEVSTJZSA-N 400.950 4.605 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 223221186 DXEXUPPSWGXGTG-INIZCTEOSA-N 421.368 4.870 0 40 HJAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COCc3ccccc3)c2)cc1 224353418 GNXYQAMDVUJABN-UHFFFAOYSA-N 419.477 4.841 0 40 HJAB O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 224530151 WODBDPJNZCZUOX-UHFFFAOYSA-N 401.875 4.785 0 40 HJAB Cc1cc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Br 224936957 IRZOVCULCNXHSI-UHFFFAOYSA-N 409.132 4.889 0 40 HJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225688913 XEQZWZBCQYAAAV-JXALWOEJSA-N 404.595 4.823 0 40 HJAB O=C(O)c1ccc(CN2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)cc1 257207388 BHMZXTVKSNGNMX-LJQANCHMSA-N 410.901 4.997 0 40 HJAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(-n5cccn5)cc4)OCC[C@@]31C2 257238367 HKQSEHKKBCAIIM-RWEKXLEMSA-N 407.558 4.671 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 257336300 YNVLDFALTNZOLN-UHFFFAOYSA-N 422.475 4.736 0 40 HJAB CCOc1cc(C(=S)NC[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1 408575956 OZGTYIQOHFYJOK-QGZVFWFLSA-N 405.947 4.762 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)N1CCCCCC1 408584707 UAWFQXGCSCNSQB-UHFFFAOYSA-N 407.923 4.549 0 40 HJAB CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 408679045 HVHBQXSNASXHHD-UHFFFAOYSA-N 412.536 4.852 0 40 HJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(C(=O)Cc2ccccc2)CC1 409017888 IPGGVGNLINZHOJ-UHFFFAOYSA-N 424.850 4.779 0 40 HJAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cc(C)ccc1C 409341465 BCNIPWIBHTUUBY-UHFFFAOYSA-N 424.570 4.841 0 40 HJAB Cc1sc(NC(=O)COc2ccc(Br)cc2)nc1-c1ccccc1 646388 SGVLCEGMHWCHEZ-UHFFFAOYSA-N 403.301 4.899 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc(C(C)=O)c1C 1450957 XPFHSNGDMWHHFK-MFKMUULPSA-N 418.342 4.966 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)Nc1ccc(F)cc1 2236017 QBBAOMMMFFAQEI-UHFFFAOYSA-N 422.460 4.943 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)c(C)c1 2237949 FCJNNFZYFRNEGT-UHFFFAOYSA-N 400.935 4.792 0 40 HJAB CC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)nc1C 3324317 ISSRJLYZXLLZQO-UHFFFAOYSA-N 402.479 4.759 0 40 HJAB COc1ccc(Cc2nc3ccccc3n2CCOc2ccccc2OC)cc1OC 4385582 UMMLEECCCVZDJC-UHFFFAOYSA-N 418.493 4.732 0 40 HJAB CSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C(C(=O)Nc1ccccc1)=C(C)N2 4932998 XGVNDOLAIVMZMY-KRWDZBQOSA-N 411.918 4.581 0 40 HJAB CCOC(CSc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3)OCC 5268530 YGWLDCMESSLUDC-UHFFFAOYSA-N 414.618 4.756 0 40 HJAB CC[C@H]1CCc2c(sc(NC(=O)c3ccnn3C)c2C(=O)Nc2ccccc2C)C1 6489712 PHFSKADJAKQTSA-HNNXBMFYSA-N 422.554 4.810 0 40 HJAB CCCCC1CCC(C(=O)N(Cc2sccc2C)[C@H]2CCS(=O)(=O)C2)CC1 6810265 RKKOYWFAGMTKPF-ACBHZAAOSA-N 411.633 4.569 0 40 HJAB COc1cccc(CCC(=O)N2CCc3sccc3[C@H]2c2cccs2)c1OC 7948131 VFSFAPLMMYQNEE-NRFANRHFSA-N 413.564 4.934 0 40 HJAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccc4ccccc4c3)cc21 8959424 BBPWTRVOMICOHA-UHFFFAOYSA-N 418.493 4.629 0 40 HJAB Cc1ccc2nc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)[nH]c2c1 8965553 FUJFGSSBKINUAA-QGZVFWFLSA-N 422.535 4.996 0 40 HJAB O=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1ccc(Br)cc1 9600589 HQBLBUKUSSXKBL-UHFFFAOYSA-N 421.250 4.502 0 40 HJAB Cc1ccc(-n2ccnc(SCC(=O)Nc3ccc(Cl)cc3)c2=O)cc1Cl 9761431 VSHHOZQOVAJPAN-UHFFFAOYSA-N 420.321 4.579 0 40 HJAB Cc1c(Cl)cccc1NC(=O)[C@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O 9971168 AHUVFHCQDCKXPL-ZDUSSCGKSA-N 424.913 4.682 0 40 HJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10445893 PJOYMGGXEDPJIY-SFHVURJKSA-N 408.542 4.629 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(NC(=O)C3CC3)cc2)c(Br)c1 10842454 PJVGWFNXEMTNAM-ZDUSSCGKSA-N 416.319 4.545 0 40 HJAB O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1ccc(Cl)cc1C(F)(F)F 11498734 SUSPKYBZWIQXRK-UHFFFAOYSA-N 418.872 4.940 0 40 HJAB CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CC1 11948406 PHRLEOJPYOUEKU-UHFFFAOYSA-N 409.917 4.994 0 40 HJAB Cc1nc2c(c(C3CCN(C(=O)C4CCC4)CC3)nn2Cc2ccccc2)c(C)c1C 12671117 FACYMVPXWRGKPU-UHFFFAOYSA-N 416.569 4.911 0 40 HJAB Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C(F)(F)F)cc2)cs1 12885824 LITHTQVKMCAXLA-UHFFFAOYSA-N 424.469 4.889 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c(C)c1 15882218 OQGOHYNTIMRKFJ-UHFFFAOYSA-N 422.554 4.552 0 40 HJAB O=C(NC[C@@H]1CCC[C@@H](CNC(=O)Nc2ccccc2F)C1)Nc1ccccc1F 16450363 VIMPJHCHXBIHNB-HZPDHXFCSA-N 416.472 4.714 0 40 HJAB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cc(C(C)=O)c[nH]1 18155360 DFURJIRFLXYMFR-UHFFFAOYSA-N 412.511 4.529 0 40 HJAB O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 19400397 PJHFWGMEHOOMOW-YKSBVNFPSA-N 423.532 4.511 0 40 HJAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@H]2CC=CCC2)C1 19528846 DYWVPERVCJSHOM-UQBPGWFLSA-N 422.594 4.669 0 40 HJAB O=C(NCCCc1ccccc1Cl)[C@]1(Cc2cc(-c3ccccc3)no2)CCCO1 19740052 PMCBKRONFRKCDE-XMMPIXPASA-N 424.928 4.836 0 40 HJAB O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(Cl)cc1 20151930 LGSUZTKIADEARE-UHFFFAOYSA-N 421.305 4.873 0 40 HJAB CCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 20414426 PNQVILZRHIXZSG-UHFFFAOYSA-N 404.445 4.909 0 40 HJAB O=C1N(C2CCCC2)C(c2ccccc2)=N[C@]1(Nc1ccc(Cl)cn1)C(F)(F)F 20623202 NYEHFQMQEZRNCP-IBGZPJMESA-N 422.838 4.637 0 40 HJAB CCOc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(C)c4ccccc43)cc2)cc1 25463809 RZWSGYWOACMFLV-QFIPXVFZSA-N 416.477 4.966 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)sc2c1CCC2 27663220 OAGRUURPJKRLIU-UHFFFAOYSA-N 414.458 4.768 0 40 HJAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)c1C 28206836 WRUQXFUXBKXIDP-KRWDZBQOSA-N 420.534 4.696 0 40 HJAB FC(F)(F)c1nc(SCc2nc(Cc3ccccc3)no2)c2ccccc2n1 31652793 GPXGPVJDKNHAQG-UHFFFAOYSA-N 402.401 4.915 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nnc(COc2ccc(F)cc2)o1 35529345 QEKXDJQPNFZQFT-ZTFGCOKTSA-N 422.522 4.884 0 40 HJAB CN(C)[C@H](CNC(=O)c1ccccc1SCc1cscn1)c1cccc(F)c1 40050998 ZUBQFKRNFOHYDU-LJQANCHMSA-N 415.559 4.607 0 40 HJAB CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)c1C 40087979 DBGRTHRZZCUNPJ-UHFFFAOYSA-N 417.387 4.629 0 40 HJAB CN(c1ccccc1)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 40114552 JZKFIZCNZMZUKQ-GOSISDBHSA-N 403.482 4.538 0 40 HJAB O=C(Nc1cc(NC(=O)N2CCO[C@@H]3CCCC[C@@H]32)ccc1F)C1CCCCC1 58158842 ABISGOLJCRDKNP-VQTJNVASSA-N 403.498 4.520 0 40 HJAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@H]3CCCOc4ccc(F)cc43)cc12 64809613 OWKKHRAMGUFCML-KRWDZBQOSA-N 401.507 4.845 0 40 HJAB Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3ccccc3F)c(=O)c12 67260390 QLRKTFGOVNEYQK-UHFFFAOYSA-N 424.482 4.732 0 40 HJAB CCCc1ccc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)s1 72341495 BTIMKPHFSPBQMM-IBGZPJMESA-N 411.575 4.857 0 40 HJAB Cc1noc(C)c1CC(=O)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 72350229 MFHWNBCTMDZQQK-IBGZPJMESA-N 423.944 4.879 0 40 HJAB O=C1NC(=O)c2ccccc2/C1=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1 84576883 PFIAXDADHKTMOX-CXUHLZMHSA-N 400.381 4.640 0 40 HJAB Cc1cc(-c2cnc(C3CCN(C(=O)C4[C@H]5CCCC[C@H]45)CC3)nc2C(C)C)on1 100219327 NPVRJYFXDMUBDS-ROUUACIJSA-N 408.546 4.706 0 40 HJAB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1ccc(C(C)C)cc1 105093553 YDBHMBZWYPEUFV-SFHVURJKSA-N 400.931 4.567 0 40 HJAB CC[C@H](C)Oc1ccc2ccccc2c1/C=c1\sc2nc3ccccc3n2c1=O 145493175 WZVNXWVAJYWBPN-HSMAQGNYSA-N 400.503 4.787 0 40 HJAB Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3ccc(C(F)(F)F)cn3)sc2n1 215708671 IPFVGSXVQCSKDX-UHFFFAOYSA-N 420.338 4.872 0 40 HJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219324658 XINHWDQSPJWDHQ-RTBURBONSA-N 403.906 4.925 0 40 HJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)O)cc2C)o1 222896299 VYTBMNKKJHYXCJ-NHCUHLMSSA-N 421.522 4.731 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 223719026 FUFSOVYMKXFONA-GOSISDBHSA-N 414.977 4.949 0 40 HJAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cccc4ccccc34)s2)cc1 223761788 AEZFPPVUGUYMIH-CQSZACIVSA-N 405.479 4.773 0 40 HJAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3C)c2)c1 224129994 MJIRNIQZBPVPHF-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)n1-c1cccnc1 224159554 GCFXHLLZIVHDMR-PKTZIBPZSA-N 411.534 4.753 0 40 HJAB Cc1ccc(CN(C(=O)CCc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 224202446 CRKZANZNKNMADS-LJQANCHMSA-N 414.977 4.771 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 224706652 CKPUSPHFEXAOMB-HXUWFJFHSA-N 412.599 4.729 0 40 HJAB COc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cn1 225366645 ZFDGAVPFZWPWHO-UHFFFAOYSA-N 402.372 4.617 0 40 HJAB CO[C@]1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCC[C@H](C)C1 225636630 NHAICCMXTWFFBM-GBXCKJPGSA-N 402.579 4.721 0 40 HJAB Cc1cc(C)cc(NC(=S)NCc2nc(-c3cccc(Br)c3)no2)c1 225824980 QVAXYQWHBPJWTO-UHFFFAOYSA-N 417.332 4.603 0 40 HJAB COc1ccccc1CC(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257246936 IWQJDMSCOKFWRH-FQEVSTJZSA-N 410.901 4.834 0 40 HJAB CC(C)n1nccc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257328636 XGMXSIVSJIBYBI-QGZVFWFLSA-N 412.921 4.716 0 40 HJAB CCCCSC1=NC(C)=C(C(=O)OCC)[C@@H](c2cccc(Br)c2)N1 408986336 BVQCJXUDVUDEMT-MRXNPFEDSA-N 411.365 4.820 0 40 HJAB COc1ccc(C(=O)Oc2ccccc2/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1 408989644 UTVDLARNUTTYCG-QNGOZBTKSA-N 413.429 4.567 0 40 HJAB C[C@@H]1CCC[C@@H]2C1=NN(C(=O)c1ccc(-c3ccccc3)cc1)[C@@]2(O)C(F)(F)F 409184904 YRWRVIXKEKPKLW-IQVOZAENSA-N 402.416 4.853 0 40 HJAB CC(C)Sc1ccc(CC(=O)N2Cc3ccccc3[C@H](c3cnn(C)c3)C2)cc1 585409874 XFIPYIYHGNWHTJ-QHCPKHFHSA-N 405.567 4.637 0 40 HJAB COc1ccc(C2=NN(C(C)=O)[C@H](c3cc4ccc(C)cc4nc3Cl)C2)cc1OC 1261543 YLQFFPNNSPZEEP-FQEVSTJZSA-N 423.900 4.911 0 40 HJAB COc1ccc(OC)c(NC(=O)c2sc3nc4c(C)ccc(C)c4cc3c2N)c1 1342978 FFTYHEYERHXYQQ-UHFFFAOYSA-N 407.495 4.918 0 40 HJAB CCOc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccc(F)c2)S3)cc1OCC 1473128 APMZSQUCPGSALH-SFHVURJKSA-N 413.474 4.759 0 40 HJAB O=C(NCc1nnc2c3ccccc3c(-c3ccccc3)nn12)c1ccc(Cl)cc1 2200320 AGOMNVPFWJLPBP-UHFFFAOYSA-N 413.868 4.528 0 40 HJAB Cc1cccc(-n2c(N)c(C(=O)N[C@@H](C)c3ccccc3)c3nc4ccccc4nc32)c1 2347377 CMLXPEMBXQYLSS-KRWDZBQOSA-N 421.504 4.955 0 40 HJAB COC(=O)COc1ccc(-c2nnc(Nc3ccc(OC)cc3)c3ccccc23)cc1 2359603 AGZHJBHOANOFRV-UHFFFAOYSA-N 415.449 4.601 0 40 HJAB COc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1 2400498 DSYKKVSZLCGFIT-UHFFFAOYSA-N 411.914 4.987 0 40 HJAB COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4cccc(OC)c4)n3)cc2)cc1 2930883 PXLDEQZAARVPKL-UHFFFAOYSA-N 415.449 4.602 0 40 HJAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)[C@@H]1COc2ccccc2O1 4224258 ZODWVVBKOFVBRB-INIZCTEOSA-N 407.278 4.895 0 40 HJAB O=C1N/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1c1ccccc1 4702421 HCVNHFZJJQAUPS-HYARGMPZSA-N 411.436 4.926 0 40 HJAB biogenic CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccccc43)c2C)cc1 6630644 CJFXZMYFILFGEY-PXLXIMEGSA-N 400.478 4.788 0 40 HJAB O=c1c2cccnc2nc(SCc2ccccc2F)n1Cc1ccccc1Cl 6805021 QOBJLMIUBPXNDO-UHFFFAOYSA-N 411.889 4.925 0 40 HJAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)OC(C)C)C1=O 6942512 DAAGFAAAHOWGBI-UNOMPAQXSA-N 413.495 4.617 0 40 HJAB CCN(CC)Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2cccs2)c1 7946548 KGYMZHTZFBOJSY-UHFFFAOYSA-N 421.566 4.772 0 40 HJAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(OCc2ccccc2)cc1 8381269 LSWKMQPECHHPHL-UHFFFAOYSA-N 420.578 4.839 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1C 8480921 QAGMIIXRTGBQJO-FQEVSTJZSA-N 416.521 4.682 0 40 HJAB O=S(=O)(NC[C@H](c1ccsc1)N1CCCCCC1)c1cccc2ccccc12 8901503 ITRCYOHSZMZOPW-OAQYLSRUSA-N 414.596 4.797 0 40 HJAB CNc1nnc(SC2=C3CCCC[C@]3(c3ccccc3Cl)N(C)C2=O)s1 9365961 WBXXKXKURRVORM-GOSISDBHSA-N 406.964 4.521 0 40 HJAB O=C1c2ccccc2N[C@@H](c2c[nH]nc2-c2cccs2)N1c1ccc2c(c1)OCO2 9367163 LWKOLCZAKZOXIF-OAQYLSRUSA-N 416.462 4.638 0 40 HJAB CC(C)c1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](c1ccccc1O)C3 10156982 OSJGXNGXACQDMP-HNNXBMFYSA-N 416.456 4.672 0 40 HJAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11072914 DAVLWRDFILZUFS-MHECFPHRSA-N 415.537 4.628 0 40 HJAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1nc2c(F)cc(F)cc2s1 11807747 CSDKVXPNFIIJDE-UHFFFAOYSA-N 403.385 4.940 0 40 HJAB Cn1cccc1CN1CCC2(CC1)C[C@]1(CO2)Nc2cc(Cl)ccc2-n2cccc21 12086197 KKLXARNVRJOJDV-XMMPIXPASA-N 422.960 4.545 0 40 HJAB CCc1ccc(-c2nc(C)c(C(=O)N(C)CC(=O)Nc3cccc(F)c3)s2)cc1 12759360 OWMWKJDHJORWCF-UHFFFAOYSA-N 411.502 4.531 0 40 HJAB COc1ccc(-c2nc(NC(=O)c3cnccn3)sc2-c2ccc(OC)cc2)cc1 12775292 WTZZBRJORNWCGQ-UHFFFAOYSA-N 418.478 4.537 0 40 HJAB CC[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(Br)cc1 12901478 JGOXVEFBMFFVDF-CQSZACIVSA-N 407.333 4.740 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N(C)Cc1nc2ccccc2s1 12927481 TWWHVWOYISVGDY-ZDUSSCGKSA-N 403.935 4.726 0 40 HJAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=S)Nc2ccccc2F)cc1 13150169 HGYZJMWWIYHLIJ-GASCZTMLSA-N 421.563 4.586 0 40 HJAB O=C(Cc1csc(SCC(=O)c2cccs2)n1)NCc1ccccc1Cl 13654028 QPJBEORAQLEWBL-UHFFFAOYSA-N 422.984 4.692 0 40 HJAB CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1csc2ccccc12 14058159 XLTXYQGEEHONAM-UHFFFAOYSA-N 408.552 4.588 0 40 HJAB O=C(Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)c1nc(Cl)ccc1Cl 16700901 HJEWSXWVMBLGKZ-UHFFFAOYSA-N 415.202 4.904 0 40 HJAB Cc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccccc3)n2)c1 16846392 LGHZRYCFMZTBQE-UHFFFAOYSA-N 411.508 4.599 0 40 HJAB O=C(OCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)c1cccnc1Cl 17526960 OJVPKOUGYVKNJV-SFHVURJKSA-N 424.909 4.772 0 40 HJAB CC(=O)NC1(c2ccccc2F)CCN(Cc2ccc(OC3CCCC3)cc2)CC1 19021108 GOOIVWCYCOAJFO-UHFFFAOYSA-N 410.533 4.775 0 40 HJAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@H](C)c3ccccc3)C1)N2 19127390 SNAIHGDBIWYVPQ-XGXHKWSGSA-N 420.479 4.521 0 40 HJAB Cc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccccc2)cc1C 19946818 GGBVFLLOBISFAB-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB COc1ccc(S[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1OC 20106255 RLBPZWOSRKFPLM-LLVKDONJSA-N 400.327 4.808 0 40 HJAB COc1ccc(-n2c(SCc3cccc(F)c3)nc3ccccc3c2=O)cc1OC 21239428 QGFJPWDWCACGFU-UHFFFAOYSA-N 422.481 4.834 0 40 HJAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Oc1cc(C)c(Cl)cc1C(C)C 22455523 POIQGUOLOJMWDM-UHFFFAOYSA-N 411.907 4.507 0 40 HJAB O=C(c1cnn(-c2ccccc2Cl)c1-n1cccc1)N1CCc2ccccc2C1 22569901 HHCSSRBACDPVLO-UHFFFAOYSA-N 402.885 4.515 0 40 HJAB COc1cc(OC)c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1Cl 23175207 MXOFCVXFQRXMIG-UHFFFAOYSA-N 406.269 4.757 0 40 HJAB CCc1nc2ccc(C(=O)Nc3nc(C)c(-c4ccccn4)s3)cc2nc1CC 24031826 IPEKEMGVWGXURT-UHFFFAOYSA-N 403.511 4.834 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)CCc2ncc(-c3ccccc3F)o2)cc1OC 25618198 CVEZZUXWMFOWOD-LJQANCHMSA-N 424.472 4.794 0 40 HJAB Cc1c(-c2cc(C(=O)NCC(C)(C)c3ccccc3F)c3ccccc3n2)cnn1C 35316595 CEMNLDXTZFKCIO-UHFFFAOYSA-N 416.500 4.790 0 40 HJAB COc1ccc(OC)c(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c1 38834768 SHBAGILJAGAORU-AWEZNQCLSA-N 423.340 4.861 0 40 HJAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(-n2cnc3ccccc32)nc1 40069944 XWDAFFXSVBIRQA-UHFFFAOYSA-N 415.478 4.627 0 40 HJAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1OC 44947154 SQXOWQQNWSUXMQ-IBGZPJMESA-N 405.922 4.654 0 40 HJAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCCc2cc(OC(F)(F)F)ccc21 48300627 LYSNXBRVIPUNDS-UHFFFAOYSA-N 418.419 4.812 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccccc3Cl)oc12 67293554 GQQQXBQTTNSSRS-LVWGJNHUSA-N 405.841 4.975 0 40 HJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(Cl)cc1Cl 71844418 RZAMSLQVDCEDSR-PXNSSMCTSA-N 419.352 4.908 0 40 HJAB CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 78877302 OYUMSMQYBNMGOD-HNNXBMFYSA-N 400.828 4.769 0 40 HJAB O=C(NCc1ccccn1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344052 IYWCVGHSTDUEBE-QHCPKHFHSA-N 417.553 4.583 0 40 HJAB O=C1C[C@@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)C2)Oc2ccccc21 96367445 BGFLDPAFOIRAQW-HSZRJFAPSA-N 409.913 4.788 0 40 HJAB CC(C)(Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O)c1ccccc1 143950797 KZVFWPBNZXJLOO-UHFFFAOYSA-N 410.326 4.687 0 40 HJAB Cc1nnc(S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)O)o1 211530552 HRLFPIDRONDQDS-YVLHZVERSA-N 402.859 4.828 0 40 HJAB C[C@@H](Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O)c1ccccc1 217583074 OSNLQKINKLIZGO-MRXNPFEDSA-N 416.543 4.559 0 40 HJAB CC(C)CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 222926639 OJDSFRBGLJXAND-KRWDZBQOSA-N 418.940 4.601 0 40 HJAB Cc1cc(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)ncc1Cl 224021153 FJYDYBADFQRFJP-UHFFFAOYSA-N 410.370 4.732 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1cccc(C)c1 224112560 FPTSCIBSIRRUTM-UHFFFAOYSA-N 405.450 4.606 0 40 HJAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2OC)c1C 224563394 RNHJIJGQRRFIEC-VXKWHMMOSA-N 406.555 4.706 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 224773513 QRKKHQJQAANBQH-OAQYLSRUSA-N 418.940 4.601 0 40 HJAB CCOc1ccc(Nc2cc(C)nc(NC(=S)N[C@@H](C)c3ccccc3)n2)cc1 225200103 QOEAQOMMFSAZMU-INIZCTEOSA-N 407.543 4.975 0 40 HJAB CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OC)c2)CCCCCC1 225852482 QCWSPBCGZBZFKM-UHFFFAOYSA-N 405.535 4.966 0 40 HJAB Cc1c([C@H](C)[C@@H]2NC[C@H](C)C[C@@H]2O)ccc2c1C[C@@H]1[C@@H]2CC=C2C[C@@H](O)CC[C@@]21C 248334798 MALFODICFSIXPO-SBXBJWCJSA-N 409.614 4.595 0 40 HJAB biogenic,in-vitro CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(-n5nc(C)cc5C)c4)OCC[C@@]31C2 257237182 HFMFUJUFKDHBQA-NMHPENHOSA-N 421.585 4.898 0 40 HJAB O=C(NCc1cccc(F)c1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257269580 MQNXJJHLOUEPEG-UHFFFAOYSA-N 404.485 4.543 0 40 HJAB Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)cc1 642706 DBCUNFLDVBBGQG-LLVKDONJSA-N 414.093 4.893 0 40 HJAB CCOC(=O)c1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 2218566 OWTVGGXVGGDHQM-UHFFFAOYSA-N 400.463 4.874 0 40 HJAB COc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 2316137 WZPGUHRANPZXAM-DTQAZKPQSA-N 412.489 4.940 0 40 HJAB CC(C)N(Cc1ccccc1)C(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2350035 WGKIIMCIFQJTTL-UHFFFAOYSA-N 406.526 4.670 0 40 HJAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(F)c(F)c2F)s1 3250838 XFOBZCAAHCPHPD-UHFFFAOYSA-N 410.446 4.738 0 40 HJAB CC(C)N(C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(C)C 3409590 QWFVTYLVRBHYSD-UHFFFAOYSA-N 412.534 4.811 0 40 HJAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(C)cc3C)c3ccccc32)c(C)c1 4556253 MRCSPYSZWZSZBQ-MHZLTWQESA-N 413.517 4.928 0 40 HJAB CC(C)(C)c1cnnn1-c1ccc(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4718950 ZFIFYUMCYPHODB-UHFFFAOYSA-N 421.541 4.507 0 40 HJAB O=C(OCC(=O)c1ccc[nH]1)c1ccc(CSc2nc3ccccc3s2)cc1 4798411 VRDYYEVAXLJENX-UHFFFAOYSA-N 408.504 4.956 0 40 HJAB O=C(c1ccc(Br)cc1)[C@]1(O)ON=C(c2ccccc2)[C@@H]1c1ccccc1 4804565 ZHTYCLITRCOSAX-SIKLNZKXSA-N 422.278 4.539 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)c1 4988476 YDIZEAXSBHNEBG-UHFFFAOYSA-N 404.422 4.778 0 40 HJAB Cn1c(SCC(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccccc1Cl 5448585 CHSKRLQMTGZUNG-UHFFFAOYSA-N 409.845 4.712 0 40 HJAB COc1cccc(OC)c1C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 5484129 OXTLDPUQEJREBK-UHFFFAOYSA-N 421.497 4.729 0 40 HJAB Cc1oc(C(=O)N2CCC[C@H]2C(=O)O)cc1COc1ccc(-c2ccccc2)cc1 5532426 KKCOIEOFSXVUQW-NRFANRHFSA-N 405.450 4.523 0 40 HJAB COc1ccc(-c2cc(OC(=O)COc3ccccc3)cc3sc(=O)oc23)cc1 6809680 VCRKPWGHJSMGMB-UHFFFAOYSA-N 408.431 4.515 0 40 HJAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1ccccc1 6816255 GISOXKCYQZQLHN-UHFFFAOYSA-N 400.507 4.589 0 40 HJAB Cc1c(Cl)ccc2sc(N(CCCn3ccnc3)C(=O)c3ccco3)nc12 7424812 CIFDORXCDWIHFW-UHFFFAOYSA-N 400.891 4.785 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 7882533 POMNJXAKIDZMQZ-HXUWFJFHSA-N 422.525 4.642 0 40 HJAB COc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@@]3(O)C(F)(F)F)n2)cc1 8711501 JJBIDKQMUQQHFY-LJQANCHMSA-N 419.428 4.684 0 40 HJAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccccc1C(F)(F)F 9632447 WXAKPEMXKGTRMT-UHFFFAOYSA-N 424.473 4.900 0 40 HJAB CCc1ccc([C@H](NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C(C)C)cc1 9758898 YUJCDVGGKFMDRM-HSZRJFAPSA-N 407.558 4.550 0 40 HJAB COc1ccccc1N(Cc1cccc2cccnc12)S(=O)(=O)c1cccs1 10849172 JRDKXVAVBAUXLH-UHFFFAOYSA-N 410.520 4.700 0 40 HJAB COc1cccc(-c2cc(CNC(=O)C3c4ccccc4Oc4ccccc43)no2)c1 11613518 ZVZGECCQGMPWCP-UHFFFAOYSA-N 412.445 4.904 0 40 HJAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(OC)c(-c2ccc(OC)cc2)c1 12035377 PKXNVGOJXCSWCG-UHFFFAOYSA-N 415.493 4.922 0 40 HJAB COc1ccc(CCNc2ncc(-c3cccs3)c(-c3cccnc3)n2)cc1OC 12222630 NCODKMOCCHWLNQ-UHFFFAOYSA-N 418.522 4.939 0 40 HJAB Cc1cc(Sc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)nc(C)n1 12537624 RLRPQPLQFGBXPA-HNNXBMFYSA-N 412.538 4.511 0 40 HJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)c1ccc(C)cc1 12565586 ULAOJLMHBGTYJX-UHFFFAOYSA-N 423.490 4.696 0 40 HJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(F)cc3Br)cc2)cs1 12614970 KDAKNRYHVXSRNE-UHFFFAOYSA-N 405.292 4.950 0 40 HJAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1I 12890691 JCLFQZMXXLWJAU-UHFFFAOYSA-N 406.248 4.667 0 40 HJAB CCCCC(=O)Nc1ccccc1S[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 13579075 WOAAXINLFUWVQM-HNNXBMFYSA-N 414.527 4.706 0 40 HJAB CC(C)c1ccc(NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)cc1 13609747 JNGQYRQBJMKRAM-UHFFFAOYSA-N 402.541 4.673 0 40 HJAB COc1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)c(OC)c1 15540333 PHYKBFXCUPRLHG-UHFFFAOYSA-N 411.841 4.829 0 40 HJAB CCNc1nc(S[C@H](C)C(=O)Nc2ccccc2OC(F)F)nc2ccccc12 16397702 YBJXVYXQAQXLJD-GFCCVEGCSA-N 418.469 4.782 0 40 HJAB Clc1ccc(COc2ccc(Br)cc2CNC[C@H]2CCCO2)cc1 16401775 CAPYPTYHWAKBQX-GOSISDBHSA-N 410.739 4.950 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)c(OC)c1 16944579 YYZUKPSDRCRSMH-UHFFFAOYSA-N 422.506 4.611 0 40 HJAB CC1=C(CC/C(C)=C\CCC2=CC[C@H](C3=CC(=O)O[C@@H]3O)O[C@@H]2O)C(C)(C)CCC1 17125214 FGJIDQWRRLDGDB-LMHZACIZSA-N 416.558 4.855 0 40 HJAB O=C1CC[C@@]2(C(=O)Nc3nc4ccc(Cl)cc4s3)Sc3ccccc3N12 17577239 LLRNZOAMJQVNIM-SFHVURJKSA-N 401.900 4.517 0 40 HJAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)cc2N1 19520659 UAYFJBZHWHTQMS-JFIYKMOQSA-N 412.500 4.867 0 40 HJAB COc1cc(CN2CCCC[C@H]2c2nnc(-c3cccs3)o2)cc(OC)c1OC 19549791 XAKXDKWAPJSKCN-HNNXBMFYSA-N 415.515 4.551 0 40 HJAB Cc1cccc(C)c1OCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20347228 UUQSBHGBICQKCU-UHFFFAOYSA-N 414.549 4.616 0 40 HJAB COc1ccc(CCC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1OC 20484735 ADKGJSXEJXNOQG-UHFFFAOYSA-N 423.484 4.671 0 40 HJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 20494031 RMEPCIGMIHEEIQ-QGZVFWFLSA-N 422.912 4.719 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3cc(C)ccc3C)cc2)c(C)c1 20495865 FPPLMAZAJCVGLI-UHFFFAOYSA-N 422.550 4.902 0 40 HJAB COc1ccc(C(=O)Cn2c(=N)n(Cc3ccc(Cl)cc3)c3ccccc32)cc1 20840503 BQLBYGQZWJVHOI-UHFFFAOYSA-N 405.885 4.515 0 40 HJAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 21193243 BUQLDRABTZOFCB-UHFFFAOYSA-N 408.502 4.573 0 40 HJAB CCc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)COc3ccc(F)cc3)nc12 22889164 LOHAIQFWSCUCKL-SFHVURJKSA-N 414.502 4.589 0 40 HJAB COc1ccc([C@H](NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C(C)C)cc1 24334782 XIBPNSCQFUOAOJ-HXUWFJFHSA-N 421.994 4.635 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(Br)cc1F 27977207 GAFMUKQNYXJDRE-UHFFFAOYSA-N 416.294 4.962 0 40 HJAB O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1Cc1cccnc1 29619564 PWLUGPCDKHQRPN-UHFFFAOYSA-N 411.889 4.925 0 40 HJAB CCOc1cccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)c1 32116554 WWRYPUMGXCUAFL-UHFFFAOYSA-N 415.081 4.568 0 40 HJAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(Oc2ccccc2)cc1 32753861 ZSPKDLIZARBLIZ-QGZVFWFLSA-N 409.507 4.716 0 40 HJAB COc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1ccccc1F 33371311 ZQLZBSZNFYSPCY-UHFFFAOYSA-N 424.335 4.947 0 40 HJAB Cc1ccc([C@](O)(CCNC(=O)N[C@@H](C)c2cc3ccccc3o2)C(F)(F)F)o1 36744405 LVHNYGCQZGVMKX-ORAYPTAESA-N 410.392 4.535 0 40 HJAB O=C(CSCc1nc(-c2cccc(Cl)c2)no1)NCc1ccccc1Cl 40067421 HPDYJUCCDAOJRO-UHFFFAOYSA-N 408.310 4.593 0 40 HJAB O=C(Nc1ccc2c(c1)OCCO2)c1[nH]c2ccc(Br)cc2c1Cl 40142793 FQWLGWAESUPBDT-UHFFFAOYSA-N 407.651 4.607 0 40 HJAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccccc2OC(C)C)c(OC)c1 44903063 RXRSUMYDBBENPV-QGZVFWFLSA-N 407.470 4.800 0 40 HJAB COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)o1 49170058 ANRILASXSDDZHB-HNNXBMFYSA-N 403.404 4.754 0 40 HJAB biogenic,in-vitro O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NCc1cccc(C(F)(F)F)c1 51364602 HUAXGGKVSUAOJX-GOSISDBHSA-N 412.411 4.542 0 40 HJAB CCN1c2ccc(C(=O)Nc3ccccc3SC)cc2-c2ccccc2S1(=O)=O 65315074 KEPIREFQYMMRPN-UHFFFAOYSA-N 424.547 4.856 0 40 HJAB Cc1ccc(OCc2nc(CC(=O)Nc3scnc3C(C)(C)C)cs2)cc1 79015520 DZYXTVIMAAOHPC-UHFFFAOYSA-N 401.557 4.966 0 40 HJAB Cc1cccc(CS(=O)(=O)NCc2sc(-c3ccccc3Cl)nc2C)c1 90593370 GZITYOOJNMPCFN-UHFFFAOYSA-N 406.960 4.700 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)c1C 95364989 JTLRNUWXUYIGMW-UHFFFAOYSA-N 406.269 4.684 0 40 HJAB CC(C)CC(=O)Nc1cccc(CNCc2cccnc2NC(=O)OC(C)(C)C)c1 95435780 POANUUZDECQYKU-UHFFFAOYSA-N 412.534 4.703 0 40 HJAB CCn1cnnc1[C@H]1CCCN(C(=O)Nc2ccc(C)cc2OCc2ccccc2)C1 95460895 OYWYBNVFSZLALW-FQEVSTJZSA-N 419.529 4.597 0 40 HJAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@H]2C1=O 101047498 FSNRYIANYKCYPE-VSKRKVRLSA-N 418.880 4.700 0 40 HJAB Cc1ccccc1CN(C(=O)COc1ccc(C(C)C)cc1)[C@@H](C)C(=O)NC(C)(C)C 222701895 BJKWNWOBYFEMFX-FQEVSTJZSA-N 424.585 4.829 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C(C)C 223853731 RKIZXKUCWCYWQK-YADHBBJMSA-N 406.555 4.964 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccco2)N1c1ccc(Br)cc1 224483413 DCWXVKGRPFRGOS-SJORKVTESA-N 400.301 4.614 0 40 HJAB Cc1cccc(N2CCN(C(=O)CSCc3ccc(Cl)cc3F)CC2)c1C 224601920 RBCJCCPUNLBLKS-UHFFFAOYSA-N 406.954 4.678 0 40 HJAB COC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2Cl)c1 225607425 CMIOINDCROMZPK-UHFFFAOYSA-N 408.976 4.737 0 40 HJAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc(C)c1Br 408639123 FHZZLRWMHUFXPJ-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB CCOc1c(Br)cc(/C=C2\Sc3ccccc3NC2=O)cc1OC 409099969 SFKMNZMIQKOJKS-YBEGLDIGSA-N 406.301 4.942 0 40 HJAB O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)cc2)o1 409180771 VPGDQYBQRUSKRT-UHFFFAOYSA-N 418.232 4.861 0 40 HJAB O=C(Nc1ccccc1)c1cc2cc(Br)cc(Br)c2oc1=O 841058 HNEADBFAYDIRRT-UHFFFAOYSA-N 423.060 4.570 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1CC[C@@H](C)C2 1102459 PBJIFZKLJTXUDL-LLVKDONJSA-N 407.919 4.964 0 40 HJAB O=C1OCC2=C1[C@@H](c1ccccc1Cl)CC(=O)N2c1cccc(C(F)(F)F)c1 1429527 CNIUXXDPNLKBKY-CQSZACIVSA-N 407.775 4.690 0 40 HJAB CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 1448017 HMBWYYWSDSVQSA-LBPRGKRZSA-N 406.356 4.809 0 40 HJAB biogenic CCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(N(C)C)cc4)nc3c2)cc1 2050793 FZDQSAGPCPIELQ-UHFFFAOYSA-N 415.497 4.528 0 40 HJAB O=C(c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCCCCC1 2364159 JODRCOJKCZQUEU-AAEUAGOBSA-N 416.831 4.806 0 40 HJAB CC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc12 2400925 QPWKSUOHIXQQBN-LLVKDONJSA-N 412.852 4.904 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1C 2636373 CKBBJBJNBUCUJY-QGZVFWFLSA-N 420.465 4.810 0 40 HJAB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(O)cc4)CC3)c3ccccc3n2)cc1 3231450 DQSNOLISUKFBJO-UHFFFAOYSA-N 423.516 4.878 0 40 HJAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)cc1 4088701 MRHGVUFVDHKJGI-UHFFFAOYSA-N 404.289 4.535 0 40 HJAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(O)cc2)n2c(nc3ccccc32)N1 4742065 IBGZPTSHPAYLFD-HSZRJFAPSA-N 410.477 4.978 0 40 HJAB O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(-c2ccccc2)cc1 4941982 IHMIXCRPOOPSPD-UHFFFAOYSA-N 406.507 4.536 0 40 HJAB O=C(CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 5218915 ARYCMISIZKOYJP-PUHATCMVSA-N 416.924 4.786 0 40 HJAB Cc1ccc(C(=O)c2noc(-c3ccccc3)c2S(=O)(=O)c2ccccc2)cc1 5540892 XFPPKAGXJKDWHT-UHFFFAOYSA-N 403.459 4.714 0 40 HJAB O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)c1cc2c(s1)CCCCC2 6053980 AZUJNQLMZLEMJR-UHFFFAOYSA-N 410.520 4.597 0 40 HJAB Cc1cc(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1Cl 6281161 RSTCGHNZWMFEQY-IBGZPJMESA-N 418.921 4.697 0 40 HJAB COCCn1c(C)cc(C(=O)CSc2nnc(Nc3cccc(C)c3)s2)c1C 6623600 GVJUUXZOYRBPSB-UHFFFAOYSA-N 416.572 4.630 0 40 HJAB O=C(Nc1cc2c(cc1[C@H](O)c1ccccc1)OCCO2)C12CC3CC(CC(C3)C1)C2 6668099 GBDRMTHKFLQUBB-SSGAXFJESA-N 419.521 4.694 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2Cn2nc(C)n(-c3ccccc3C)c2=S)c1 7316720 PAEYKSZMUAWWNU-NRFANRHFSA-N 424.570 4.832 0 40 HJAB NC(=O)N[C@H](CC(=O)N1CC[C@@H]2CCCC[C@@H]2C1)c1cccc(Oc2ccccc2)c1 8161897 JFTBOLRABAKNCO-JXHRLWIKSA-N 421.541 4.617 0 40 HJAB CCC(=O)c1ccc(OCC(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 8190872 XNPRIMPGGQVJJX-UHFFFAOYSA-N 417.461 4.654 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)COc1ccccc1-c1ccccc1 8388229 LQSYRKYFMAQHGF-UHFFFAOYSA-N 411.505 4.851 0 40 HJAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3Cl)ccc21 8959080 LERHZUAPRTUTIH-UHFFFAOYSA-N 400.906 5.000 0 40 HJAB C[C@@H]1C[C@H](Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccco2)C(=O)O1 9365091 VJZHQQPZARRHQA-KDOFPFPSSA-N 411.527 4.680 0 40 HJAB O=C1N(Cc2ccccc2Cl)c2ccccc2S(=O)(=O)N1c1ccc(F)cc1 10273487 KVAPVEMCSGAOOR-UHFFFAOYSA-N 416.861 4.815 0 40 HJAB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2cccc(C)n2)cc1OC 10431176 XIOKOAQLCAQBEO-UHFFFAOYSA-N 414.465 4.512 0 40 HJAB Cc1ccc(CN2C(=O)N(c3cc(F)ccc3F)S(=O)(=O)c3ccccc32)cc1 12414792 SYEOJIZWWHIEJW-UHFFFAOYSA-N 414.433 4.609 0 40 HJAB O=C1CCc2cc(-c3csc(NC(=O)c4ccc(Cl)cc4F)n3)ccc2N1 12853330 JTCPLXMJTIPDRR-UHFFFAOYSA-N 401.850 4.740 0 40 HJAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1oc2ccc(OCC)cc2c1C 12856018 CAILMEWHOQTSDF-UHFFFAOYSA-N 408.498 4.939 0 40 HJAB COc1ccc(C(=O)n2c(-c3ccc(Cl)cc3)nc3cc4c(cc32)OCCO4)cc1 16216391 FTNVYOAFGRAUIF-UHFFFAOYSA-N 420.852 4.825 0 40 HJAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN=C1Cc1cccc2ccccc12 16780474 JCNZMLUWPDWMQJ-UHFFFAOYSA-N 419.333 4.792 0 40 HJAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2cc1NC(=O)C1CC1 16963577 QUFDNIWQYKUWEG-UHFFFAOYSA-N 413.477 4.567 0 40 HJAB CN(C)c1cccc(-c2nnc(SCc3cccc(Br)c3)n2C)c1 17082619 WTGZVWYZCKIEBX-UHFFFAOYSA-N 403.349 4.603 0 40 HJAB COc1cc2ccccc2cc1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 17093008 GWXQCIVSVWVBHB-UHFFFAOYSA-N 422.440 4.901 0 40 HJAB CCn1ncc(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)c1C 19694355 VDXSSUNNWWFJDM-JOCHJYFZSA-N 422.552 4.601 0 40 HJAB Fc1ccccc1OCc1cc([C@H]2CCN(Cc3ccnc4ccccc34)C2)n[nH]1 19704714 FTGGZQVAFOFRAQ-SFHVURJKSA-N 402.473 4.666 0 40 HJAB Cc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 20036938 NKEDRZQQTLVEBJ-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 20460304 USJZGELPVOTWDR-LJQANCHMSA-N 422.550 4.904 0 40 HJAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1ccc(O)cc1 21005545 ZGIDTHPBXXUVMJ-QHCPKHFHSA-N 411.461 4.731 0 40 HJAB CN(C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccco1 22381630 BRYSAOUPWXDNEP-INIZCTEOSA-N 422.312 4.593 0 40 HJAB CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1cccc(NC(=O)C2CC2)c1 23080042 MDKGRJCHCJAENZ-UHFFFAOYSA-N 406.313 4.684 0 40 HJAB CCCc1n[nH]c(Sc2nc(CN3CCC(C)CC3)nc3sc(C)c(C)c23)n1 25152057 WLGBITMLEKEATL-UHFFFAOYSA-N 416.620 4.762 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(c2ccccc2Cl)CC1 25393019 JOUBYPLEXBCUGZ-QHCPKHFHSA-N 423.919 4.981 0 40 HJAB Cc1cc(C)nc(S[C@@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)n1 26533230 VEMHMRAIDLFAIF-XVJNWHFHSA-N 416.761 4.711 0 40 HJAB COc1ccc(-c2nn(C)c3c2[C@@H](c2ccccc2)N(CCc2ccccc2)C3=O)cc1 32593633 DYSKSKKVLBWXAM-RUZDIDTESA-N 423.516 4.884 0 40 HJAB O=C(Nc1cccc(-c2nnco2)c1)c1ccccc1-c1ccc(Cn2cccn2)cc1 32777371 ZCPNMCZCQQVZLO-UHFFFAOYSA-N 421.460 4.901 0 40 HJAB COc1cc(C(=O)NCC2(c3ccccc3)CCC2)ccc1OCc1c(C)noc1C 32865904 IWSFMFPOSHBPPD-UHFFFAOYSA-N 420.509 4.731 0 40 HJAB CC(=O)Nc1ccc(OC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1 32988079 ISVDPTJZFYRGNP-UHFFFAOYSA-N 409.442 4.712 0 40 HJAB C[C@@H]1CCCC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 38501126 XTDSKTSFUZMXHK-DYESRHJHSA-N 407.489 4.899 0 40 HJAB Cc1nc(-n2cccc2)sc1C(=O)NCC1CCC(c2nc3ccccc3[nH]2)CC1 38671589 XOTVNAGAHUPKTA-UHFFFAOYSA-N 419.554 4.822 0 40 HJAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1nc2ccccc2s1 38708856 AFYOEQPXQIYPNA-UHFFFAOYSA-N 405.504 4.813 0 40 HJAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCN(c4ccccc4)CC3)c12 40128108 OHIMPXDZAGZIEP-UHFFFAOYSA-N 419.573 4.581 0 40 HJAB COc1ccc(/C=C/c2ccnc3nc(N4c5ccccc5C[C@H]4C)[nH]c(=O)c23)cc1 40388441 JGVLBXRPZXHJED-OJXHRBAXSA-N 410.477 4.580 0 40 HJAB COc1ccc(OCc2nnc3n2N=C(c2ccc(Cl)cc2Cl)CS3)cc1 41104855 BIXWUWPJPNEEET-UHFFFAOYSA-N 421.309 4.531 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CN3CCCCC3)cc1)CC(C)(C)O2 44855561 ZLGIFVZIBLAZGS-QFIPXVFZSA-N 408.542 4.713 0 40 HJAB COc1ccccc1-c1cc2c(SCC(=O)Nc3ccc(C)c(C)c3)nccn2n1 57511137 SROAGNZSURVEMK-UHFFFAOYSA-N 418.522 4.753 0 40 HJAB CCOc1ccc(-c2noc(-c3nn(-c4ccccc4C)c(=O)c4ccccc34)n2)cc1 64950185 HFHQLJQVMACRML-UHFFFAOYSA-N 424.460 4.810 0 40 HJAB Cc1nc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c2c3c(sc2n1)CCC3 65477872 LFNYDQOIOXJNID-HNNXBMFYSA-N 416.591 4.572 0 40 HJAB CN(C)c1cccc(C(=O)N2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)c1 72361045 UVMSFVCPPANWKQ-FQEVSTJZSA-N 403.501 4.974 0 40 HJAB Cc1csc(-c2cccc(C(=O)N3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)c2)n1 89708854 VUZDHVVZJRUDIM-IBGZPJMESA-N 415.522 4.881 0 40 HJAB COc1ccc(C2(C(=O)N[C@@H]3CCCc4c3[nH]c3ccc(F)cc43)CCOCC2)cc1 96232741 BUHVTJAAWFCPGP-JOCHJYFZSA-N 422.500 4.558 0 40 HJAB COc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3cc(Br)ccc23)cc1 96791939 SWOXSJBTNZJHMD-IBGZPJMESA-N 414.299 4.901 0 40 HJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 222962111 AMHBQUSRWVRXBU-HXUWFJFHSA-N 420.475 4.828 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 223131771 VYFQNKKOZKKSRK-QFIPXVFZSA-N 424.585 4.633 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1 224421803 KUQQLNYZHUEOPU-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 225614894 ICEFGQWSTGSBJP-UWJYYQICSA-N 400.950 4.605 0 40 HJAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225705357 CQIJSIGCLKFXIN-QFIPXVFZSA-N 423.582 4.685 0 40 HJAB COc1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)cc1Cl 225832940 DGRWVOLICYVJOD-UHFFFAOYSA-N 409.298 4.539 0 40 HJAB CC(C)C(=O)N[C@]1(C)C[C@@H](c2cc(Br)ccc2O)O[C@H]2C[C@@H](C)CC[C@@H]21 257292968 QNPYXOVBCUDXNQ-HYEFLGHESA-N 424.379 4.952 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1c2ccccc2C[C@H]1C 260839014 GQDSERQXEGCKSF-CLOONOSVSA-N 406.570 4.680 0 40 HJAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 408666937 HXKCSPPAVWUQNZ-UHFFFAOYSA-N 424.280 4.602 0 40 HJAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)cc1)c1ccccc1 535950153 SBKSKSGJMXJUDV-JOCHJYFZSA-N 424.504 4.593 0 40 HJAB O=C(Cn1ccc(=O)c2cc(Oc3ccccc3)ccc21)N1CCC[C@H]2CCCC[C@@H]21 583232075 TXEGLOZSFIFUPW-XXBNENTESA-N 416.521 4.975 0 40 HJAB CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)CN1CCc2ccccc21 1525648721 DESMIBUNUAZZFM-UHFFFAOYSA-N 416.365 4.745 0 40 HJAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)c(OC)c4)c(N)c3cc2C1 661867 CAQTZXOSKQUSGT-GFCCVEGCSA-N 411.527 4.663 0 40 HJAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc(Br)c1 1518372 PXELJIWAMPBGRJ-QGZVFWFLSA-N 422.120 4.909 0 40 HJAB CC(C)(C)c1ccc(N2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)cc1 2294077 MBHNKAGATPXXSZ-UHFFFAOYSA-N 414.505 4.775 0 40 HJAB Cc1ccc(S(=O)(=O)c2c(N)n(C3CCCCC3)c3nc4ccccc4nc23)cc1 2315040 CWGHBWXBEIFENS-UHFFFAOYSA-N 420.538 4.813 0 40 HJAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(F)cc2)o1 2450397 IUPDJZIXYDOLRL-AWEZNQCLSA-N 413.540 4.820 0 40 HJAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2OC)n2c(nc3ccccc32)N1 4735595 XAQAFDSTXFNJOF-NRFANRHFSA-N 421.497 4.686 0 40 HJAB CCCCCCOC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12 5030484 IFOJBXQBEHVTRW-UHFFFAOYSA-N 418.497 4.902 0 40 HJAB Nc1c(C(=O)NCCc2cccc(Cl)c2)sc2nc(-c3ccncc3)ccc12 5660019 MLJOPGDZQJFQIY-UHFFFAOYSA-N 408.914 4.566 0 40 HJAB C[C@H]1CCc2c(sc3nc(-c4ccc(-c5ccc(C(=O)O)cc5)o4)[nH]c(=O)c23)C1 5881391 NVSONUVLNXVNFR-NSHDSACASA-N 406.463 4.735 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3c(F)cccc3F)ccc2C)c1 5985599 PZNRKHLGJYXODW-UHFFFAOYSA-N 416.449 4.635 0 40 HJAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 6164521 FWIDPYSSYYCBEE-UTKZUKDTSA-N 421.493 4.864 0 40 HJAB CCc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 6225337 DVDASOZEZOAQNV-HSZRJFAPSA-N 406.507 4.869 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(F)ccc3C)c2)cc1 6390152 FSDKAIFSZPEXME-UHFFFAOYSA-N 412.486 4.520 0 40 HJAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)c1C 6886987 HBWWKJACUOEWCT-UHFFFAOYSA-N 400.544 4.509 0 40 HJAB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccccn1 6962560 JQWOHXGIBXRANO-UDWIEESQSA-N 414.490 4.597 0 40 HJAB O=C(O)c1ccc(/C=C2\CCn3c2nc2scc(-c4ccccc4)c2c3=O)cc1 7701004 FDXGUDOTJQJBEN-SFQUDFHCSA-N 400.459 4.768 0 40 HJAB COc1ccc(OCCCSCC(=O)Nc2ccc(Br)cc2)cc1 9882687 HRYKSXGBKLUITI-UHFFFAOYSA-N 410.333 4.599 0 40 HJAB COc1cc(NC(=O)CCCOc2ccc(Cl)c(C)c2)ccc1N1CCCC1=O 11261515 VYMPOGIKTWEQIL-UHFFFAOYSA-N 416.905 4.582 0 40 HJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(I)cc1 11637171 YPOWIRPZRGQNBI-KRWDZBQOSA-N 409.267 4.704 0 40 HJAB O=C1Nc2ccc(Cl)cc2[C@]12Oc1ccccc1[C@H]1CC(c3ccc(F)cc3)=NN12 12130055 SLVBBLSCBBHIBX-OFNKIYASSA-N 419.843 4.828 0 40 HJAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(Cl)c1 12508340 QOFCQJJORQROOF-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](c1ccccc1F)c1nccn1C 12549657 DBVPDFWZAJRLKU-XIKOKIGWSA-N 422.287 4.539 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3cccc(C)n3)n2)cc1Br 12853178 VQJXASDQTFIHLA-UHFFFAOYSA-N 404.289 4.537 0 40 HJAB COc1ccc(CCc2nnc3sc(-c4ccc5ccccc5c4)nn23)cc1OC 13692890 KFEFPRPDGQFMFJ-UHFFFAOYSA-N 416.506 4.808 0 40 HJAB COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13776446 IFYAVGLOSMGHLU-HYBUGGRVSA-N 400.434 4.666 0 40 HJAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)c1C 14405388 VBSHUFXNYOTPLS-UHFFFAOYSA-N 420.513 4.813 0 40 HJAB Cc1ccsc1C(=O)N1CCC(c2nc(NC(C)C)ncc2-c2ccccn2)CC1 19238543 MYUMLAVIEBEIJQ-UHFFFAOYSA-N 421.570 4.749 0 40 HJAB Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCCN1C(=O)CCc1ccc(N(C)C)cc1 19239565 LUAODVHMKOTLDP-QHCPKHFHSA-N 417.557 4.533 0 40 HJAB Cc1cc(C)cc(C2(CNC(=O)c3sc(-c4cccnc4)nc3C)CCOCC2)c1 19569559 LOSKYGQOGHEKFV-UHFFFAOYSA-N 421.566 4.609 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](c3cc4c(C)c(OC)ccc4cn3)C2)cc1OC 19582660 RFHTZTLIMHWKBY-LJQANCHMSA-N 420.509 4.589 0 40 HJAB O=C1[C@H](CN2CCCCC2)C(c2ccccc2)=NN1c1ccc(Cl)c(Cl)c1 19690856 GUJOXVGJVIOLRP-QGZVFWFLSA-N 402.325 4.846 0 40 HJAB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C)c1ccccc1 20048275 SMMVINFDQBUUCX-QFIPXVFZSA-N 422.550 4.985 0 40 HJAB Cc1ccccc1C(=O)Nc1ccc(OCC(=O)O)c(-c2nc3ccccc3o2)c1 20157921 SVBHZHYYTMZOMW-UHFFFAOYSA-N 402.406 4.519 0 40 HJAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 20459628 MEARPFZMPGNSJT-OAHLLOKOSA-N 414.914 4.632 0 40 HJAB COc1cccc(-c2nc3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3o2)c1 21579096 JXZQZTAUSJLWCP-UHFFFAOYSA-N 404.422 4.773 0 40 HJAB CCC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1 21595985 JSORRJTVNLOYHG-UHFFFAOYSA-N 405.292 4.594 0 40 HJAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2C2=Cc3ccccc3OC2)c(OC)c1 22195828 FCUSYUWQJPQGNS-DEOSSOPVSA-N 414.461 4.578 0 40 HJAB CCN(CC)C(=O)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)cc1 24785449 OREDLYDGGIOTKV-UHFFFAOYSA-N 422.504 4.869 0 40 HJAB Cc1nnc(COC(=O)Cc2csc(-c3cccc(Oc4ccccc4)c3)n2)o1 24788100 LILIWZVXDKTECW-UHFFFAOYSA-N 407.451 4.580 0 40 HJAB CC(C)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cc(Cl)ccc21 32074128 RJAOMNIGEOHPDT-QHCPKHFHSA-N 420.900 4.806 0 40 HJAB CN(C)c1ccc(CCCNC(=O)c2ccc(C3SCCCS3)cc2)cc1 32818576 YZDVQGLWAVQCJL-UHFFFAOYSA-N 400.613 4.984 0 40 HJAB Cc1ccc2nc(Cc3ccc(NC(=O)[C@H](c4ccc(F)cc4)N(C)C)cc3)[nH]c2c1 35316880 NXYYCBBRVLONLB-DEOSSOPVSA-N 416.500 4.843 0 40 HJAB COc1ccc(-c2nc3cc(C)ccn3c2Nc2ccc3c(c2)OCO3)cc1OC 35615869 WXWVDAGAFAAHSJ-UHFFFAOYSA-N 403.438 4.799 0 40 HJAB CC(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1 40130324 OCOXIHPDEDSDOV-GFCCVEGCSA-N 400.327 4.667 0 40 HJAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(Sc3nc(C)cs3)cc2)c1 40146689 MFGWDTNBYNMCBK-UHFFFAOYSA-N 404.538 4.606 0 40 HJAB O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1COc1ccccc1 58314990 GUOHMBPSRATKHC-LJQANCHMSA-N 404.485 4.661 0 40 HJAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CCN(c2cccc(C)c2)CC1 59415295 XKIFUEUAUOHDBW-MWXBQQNOSA-N 408.586 4.575 0 40 HJAB biogenic Cc1ccc(-c2ncc(C(=O)Nc3ccn(CCc4ccncc4)n3)s2)c(C)c1 60335079 YRJPXJMZFXICDW-UHFFFAOYSA-N 403.511 4.513 0 40 HJAB COc1cc(OC)cc(-n2c(SCc3ccccc3)nc3ccccc3c2=O)c1 67258607 INYGYKAJFLJGSA-UHFFFAOYSA-N 404.491 4.695 0 40 HJAB Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(F)c1 71760576 FEVNOSBKNDRVNW-UHFFFAOYSA-N 421.563 4.508 0 40 HJAB CC(=O)NCc1ccc(C(=O)Nc2cc(C3CCC(C(C)(C)C)CC3)n[nH]2)s1 72287999 CQSNSFZKIQXZOB-UHFFFAOYSA-N 402.564 4.680 0 40 HJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1 72328673 DBUUDRFOFFQWEW-UHFFFAOYSA-N 418.541 4.526 0 40 HJAB O=C(NCCc1cc(F)cc2c1OCOC2)c1csc(-c2ccc(Cl)s2)n1 84445414 NXWKHHYFIDPGJD-UHFFFAOYSA-N 424.906 4.503 0 40 HJAB Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)c1 95481644 URUPRDYDVPAPQT-AWEZNQCLSA-N 401.919 4.838 0 40 HJAB CN(c1ccc(F)cc1)c1ccc2ccc(C(=O)N3CCC(N4CCCC4)CC3)cn12 96146194 IKSJWVHUXIKQEK-UHFFFAOYSA-N 420.532 4.547 0 40 HJAB Cc1ccc(SCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222713470 CGRHAHSOEHZURS-IBGZPJMESA-N 412.599 4.728 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1C1CCCCC1 223086352 FPODIQQJFLFBDS-FCHUYYIVSA-N 403.555 4.573 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 223654804 KNUHBNKVPQBXEV-XMMPIXPASA-N 408.586 4.878 0 40 HJAB CCc1ccc(OCC(=O)NCCOc2ccccc2C(C)C)c(Br)c1 223781023 DKJCUEVRXHFJAG-UHFFFAOYSA-N 420.347 4.709 0 40 HJAB CN(c1ccc(C(=O)NCCC2CCCCCC2)cc1)S(=O)(=O)c1cccs1 224185098 IPTCIOHDGIPMBQ-UHFFFAOYSA-N 420.600 4.664 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3c(C)cccc3C)cc2C)cc1 224205259 CREOTGANDUTWAL-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccccc1OC 224238683 PSZOYBLVYZNXPW-UHFFFAOYSA-N 411.885 4.866 0 40 HJAB CCc1ccc(OCCNC(=O)COc2ccc(C(C)C)cc2Br)cc1 224250291 WVLUIYHBBMDRFA-UHFFFAOYSA-N 420.347 4.709 0 40 HJAB Cc1ccc(C(=O)Nc2ccccc2Cl)cc1N(C)S(=O)(=O)c1ccccc1 224288773 UGXSPYZVQIIPND-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CC 224572437 GXYIXKAZUSRKOJ-HXUWFJFHSA-N 421.368 4.870 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 225154201 IOUDODSCSAIHFI-MOPGFXCFSA-N 414.977 4.913 0 40 HJAB CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3OC)OC2)c2ccccc12 225921276 ZMBQRQFMBLHNRW-UHFFFAOYSA-N 421.493 4.938 0 40 HJAB COc1ccc(C(=O)Oc2ccc(-c3ccc(C)c(C)c3)nn2)cc1Br 408530726 QVGNNJCXSLFLNA-UHFFFAOYSA-N 413.271 4.751 0 40 HJAB COc1cccc(C(=S)NC[C@H]2CCCO2)c1OCc1c(F)cccc1Cl 408575483 OMRAZWHOUUKDLH-CYBMUJFWSA-N 409.910 4.511 0 40 HJAB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2Cl)c1 408664473 QYEUFWONOFBXMS-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(Cl)c3)[C@](O)(C(F)(F)F)[C@@H]2C1 409101639 WVOQTIMGIAZIQD-RVZJWNSFSA-N 402.844 4.865 0 40 HJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)o2)cc1 409329771 HVPJUWAWZDLXND-UHFFFAOYSA-N 417.918 4.904 0 40 HJAB O=C(O)c1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1Cc1cccc(F)c1 585266926 WQILUKHQWAQPFW-HXUWFJFHSA-N 411.864 4.900 0 40 HJAB CCOc1ccc(-n2nc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1 722926 GMBJOSUOAMKVKW-UHFFFAOYSA-N 406.873 4.654 0 40 HJAB COc1ccccc1C(=O)N[C@H](Nc1cc(C)ccc1C)C(Cl)(Cl)Cl 808601 AYZRPBQSVIEEFM-KRWDZBQOSA-N 401.721 4.850 0 40 HJAB Cc1ccc(C(=O)CSc2nnc3c4c5c(sc4ncn23)C[C@H](C)CC5)cc1 929598 MTSRONFZAIJOKD-CYBMUJFWSA-N 408.552 4.747 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3c(C)[nH]c4ccccc34)C2=O)cc1C 1157662 FPQBKZQHKBUZKQ-JAIQZWGSSA-N 419.506 4.768 0 40 HJAB O=C(c1ccc(Br)cc1)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 1364478 BUGUMKUKGWUTBD-ZDUSSCGKSA-N 418.316 4.580 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)cc1 1783230 HBUUBGURVCQADK-AWEZNQCLSA-N 420.303 4.812 0 40 HJAB COC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CC[C@H](C(C)(C)C)C2 1918439 PMZCTIWDJMOHTA-AWEZNQCLSA-N 401.528 4.947 0 40 HJAB O=C1O[C@@H](Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c2ccccc21 2797811 OIKOJRJKWBKXCS-OAHLLOKOSA-N 421.293 4.850 0 40 HJAB Cc1cc(NC(=O)c2cccc(I)c2)ccc1Br 3562190 JIYLAMSYMOTGHG-UHFFFAOYSA-N 416.056 4.614 0 40 HJAB COc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(C)cccc3s2)c1OC 4273318 GBDATWJSDNVIAZ-UHFFFAOYSA-N 419.506 4.864 0 40 HJAB O=C(NC1CCCCCC1)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 4538621 RYXWIHVTBCDVBR-QHCPKHFHSA-N 406.526 4.589 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)Nc1ccc(F)cc1 4815595 OTFBZUCOLRSKDM-DEOSSOPVSA-N 413.452 4.799 0 40 HJAB CCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OC 5477943 PSSARGDWEHDKFO-DKOVKCOZSA-N 406.526 4.511 0 40 HJAB COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 6348801 AOAPSROMSNBIOZ-UHFFFAOYSA-N 403.320 4.946 0 40 HJAB Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2/SC(=N)NC2=O)cc1C 6859401 VCAYWYBDXRUDMA-WOJGMQOQSA-N 402.903 4.553 0 40 HJAB O=C(COc1ccc2ccc(=O)oc2c1)N(Cc1ccc(F)cc1)C1CCCCC1 7767362 PRZARIUQAHFAKG-UHFFFAOYSA-N 409.457 4.672 0 40 HJAB Cc1ccc(-c2nc3c4ccccc4n(Cc4cccc(Cl)c4)c(=O)n3n2)cc1 8601992 RXNSYDQNJBUWNO-UHFFFAOYSA-N 400.869 4.721 0 40 HJAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccncc4)ccc3c2C)cc1OC 9052617 QIPXEJWOBBLLDL-UHFFFAOYSA-N 416.433 4.637 0 40 HJAB biogenic COc1ccc2nc(N(Cc3ccncc3)C(=O)CCc3ccccc3)sc2c1 10254293 OQHNOSBJFXPZKF-UHFFFAOYSA-N 403.507 4.866 0 40 HJAB O=C(CSCC(=O)N1c2ccccc2CCc2ccccc21)Nc1ccc(F)cc1 10381864 GOTPKRHKDSNGDV-UHFFFAOYSA-N 420.509 4.961 0 40 HJAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3ccc4nnc(-c5ccncc5)n4n3)c2)c1 12237537 LBSYSTLGWAJZAF-UHFFFAOYSA-N 420.476 4.722 0 40 HJAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c1 12351934 ANKZFXKDUQWFKL-BJMVGYQFSA-N 422.337 4.868 0 40 HJAB CC(C)(C)c1ccc(-c2csc(NC(=O)Cn3cnc4sccc4c3=O)n2)cc1 12759698 CJROUUSYOFQGTG-UHFFFAOYSA-N 424.551 4.518 0 40 HJAB C[C@H](C(=O)Nc1ccc2c(c1)CCC2)n1nc(-c2cccs2)c2ccccc2c1=O 12925279 XQDDQYRKNPTRQD-OAHLLOKOSA-N 415.518 4.813 0 40 HJAB O=C(Nc1nc(-c2ccccc2Cl)cs1)C1CCN(C(=O)c2ccoc2)CC1 12935588 BSZPPLYQNNVJTE-UHFFFAOYSA-N 415.902 4.547 0 40 HJAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1cc(Cl)cc(Cl)c1 13061235 LNGPBFIWJXJXNO-QGZVFWFLSA-N 407.297 4.540 0 40 HJAB COc1cc(Cl)c(C)cc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 13145971 LUVMZTYRUHNQSN-UHFFFAOYSA-N 420.852 4.710 0 40 HJAB FC(F)(F)c1cccc(NC(=S)NNC(=S)Nc2ccc(Cl)cc2)c1 13687221 PCANZGZAFVCTCR-UHFFFAOYSA-N 404.870 4.547 0 40 HJAB Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 13936210 ITYXSEYPDCXZKC-UHFFFAOYSA-N 411.552 4.913 0 40 HJAB Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)C(C)(C)C)CC2)cc1 14291189 QAPDZYNXXNPWSB-UHFFFAOYSA-N 413.949 4.595 0 40 HJAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(Oc2ccccc2)c1 14357286 IWSOSWPXGKJUPQ-UHFFFAOYSA-N 422.506 4.516 0 40 HJAB Cc1ccc(C)c(OC[C@H](O)Cn2c(COc3ccccc3)nc3ccccc32)c1 15860753 IZWGILSQQNFYMB-HXUWFJFHSA-N 402.494 4.672 0 40 HJAB Cc1ccc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1F 15882857 QLPHYHQYTRKCHH-UHFFFAOYSA-N 404.363 4.615 0 40 HJAB C[C@H]1CCCCN1c1ccc2cccc(OCC(=O)N3CCc4ccccc43)c2n1 17245310 NXVKRVGFSVVOOR-SFHVURJKSA-N 401.510 4.582 0 40 HJAB CCSc1nc2n(n1)[C@@H](c1ccccc1)C(C(=O)Nc1ccccc1C)=C(C)N2 17316860 XWMNIPOWTUINRZ-IBGZPJMESA-N 405.527 4.626 0 40 HJAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 19236827 MHGQPPKWKXRZQY-SQJMNOBHSA-N 417.528 4.912 0 40 HJAB CCOC(=O)c1sc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)nc1C 19295445 MJSAAJODAQNKJF-UHFFFAOYSA-N 421.931 4.586 0 40 HJAB CC(C)Nc1ncc(-c2cccnc2)c(C2CCN(Cc3ccc(F)cc3)CC2)n1 19450327 MDECPGCCCQVRGH-UHFFFAOYSA-N 405.521 4.878 0 40 HJAB CC(C)c1nnc(CCC(=O)N2CCC[C@@H]2c2ccc(Cc3ccccc3F)cn2)o1 19688478 QXSIKGFQEUFMRA-OAQYLSRUSA-N 422.504 4.614 0 40 HJAB Cc1cccc(-n2c3c(c(=O)[nH]c2=S)CN(Cc2ccccc2Cl)CN3)c1C 19939140 SOHBRXNOPBGWFN-UHFFFAOYSA-N 412.946 4.551 0 40 HJAB O=C(O)COc1cc(NC(=O)c2ccccc2)ccc1-c1nc2ccccc2s1 20158256 XCOOAIZGHLKRRF-UHFFFAOYSA-N 404.447 4.679 0 40 HJAB Cc1ccc(O)c(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(CCCOC(C)C)C3=O)c1 21782824 OYAIKNCEYBJSBG-HSZRJFAPSA-N 423.488 4.590 0 40 HJAB CCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 22535286 ZPQNOSDAIQWVLN-UHFFFAOYSA-N 414.914 4.956 0 40 HJAB COc1ccc(OCC(=O)N(Cc2ccc(C(C)(C)C)cc2)c2ccccn2)cc1 27749749 XUDYJLKTTNLLRE-UHFFFAOYSA-N 404.510 5.000 0 40 HJAB Cc1ccc(Cn2cc(Br)c(NC(=O)CSc3ccccc3)n2)cc1 27917126 XIWNJWMRMCDFAL-UHFFFAOYSA-N 416.344 4.733 0 40 HJAB CCOc1ccc(-c2nsc(NC(=O)[C@H](CC)Oc3ccc(F)cc3)n2)cc1 28287932 LVXDJGBLPGSVLJ-KRWDZBQOSA-N 401.463 4.539 0 40 HJAB Cc1cccc2c1N(C)C(=O)[C@]21CC(O)=Nc2c1sc(C(=O)O)c2-c1ccccc1 32072856 DXPKNVSDGQQBQK-HSZRJFAPSA-N 418.474 4.676 0 40 HJAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC(C(=O)NCc2ccccc2)CC1 32905016 TXQYKVJUNBKCNP-INIZCTEOSA-N 412.484 4.521 0 40 HJAB Cc1ccc2[nH]c3c(SCC(=O)Nc4ccc(F)c(Cl)c4)ncnc3c2c1 33172520 QSPMORIIQWDNRP-UHFFFAOYSA-N 400.866 4.943 0 40 HJAB O=C(COc1ccccc1-c1noc(/C=C/c2ccc(F)cc2)n1)N1CCCCCC1 33325292 YVYWBDQHDGUQRP-SDNWHVSQSA-N 421.472 4.828 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 38753426 RZKVCKPFJQIKFF-HNNXBMFYSA-N 417.527 4.780 0 40 HJAB CN(C(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)C1CCCCC1 38757050 MELOKCCCDZTYQY-UHFFFAOYSA-N 406.935 4.546 0 40 HJAB O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(NC(=O)C2CCCCC2)c1 40088884 NETJULRONQDXQF-UHFFFAOYSA-N 406.511 4.976 0 40 HJAB Cc1ccccc1C(=O)Nc1c(C)c(Br)c(N)c(Br)c1C 45890892 SSRFVKSFFKOFHN-UHFFFAOYSA-N 412.125 4.971 0 40 HJAB CCc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1 67292770 BWWWPPLHJNNNRM-HGFVNXKRSA-N 410.901 4.790 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCCCC2 71327976 KUQIFDICQOWTJP-UHFFFAOYSA-N 409.917 4.579 0 40 HJAB COc1cccc(NC(=O)c2sc(N3CCSCC3)nc2-c2ccccc2)c1 72078652 XGYZXCCICIEBQT-UHFFFAOYSA-N 411.552 4.624 0 40 HJAB Clc1ccc(OCc2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 72333571 JEVNWVMUWPSGPD-UHFFFAOYSA-N 400.935 4.886 0 40 HJAB CNc1ncccc1CN1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(Cl)c1 72377243 CVMMNLCYTPKAPS-LJQANCHMSA-N 408.937 4.543 0 40 HJAB COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(OC(C)C)CC2)cc1 78796745 MKDVTXRDCNDJNQ-UHFFFAOYSA-N 405.542 4.937 0 40 HJAB Clc1ccc([C@H]2C=C(c3cccc(Br)c3)Nc3nnnn32)c(Cl)c1 102047007 NNIFQXNNBKUBSY-OAHLLOKOSA-N 423.101 4.798 0 40 HJAB CCOCc1c(C(=O)OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)oc2ccccc12 102324595 ADZOUZZAQSRLLH-GYCJOSAFSA-N 413.514 4.553 0 40 HJAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc4ccccc34)[C@@H]2C(=O)N1c1ccccc1 102707713 VXFPKSQCUVGEPQ-GVAUOCQISA-N 420.468 4.891 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 223183489 CGROLSXIVLHVNH-LJQANCHMSA-N 414.977 4.833 0 40 HJAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 223411325 JHFHATQHMFLSHN-FGZHOGPDSA-N 406.555 4.645 0 40 HJAB COC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225063393 KIJCOKPOMURVTL-UHFFFAOYSA-N 424.305 4.515 0 40 HJAB C[C@@H](C(=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1)c1ccccc1 257212336 CCWQLVISIOYEQX-WOIUINJBSA-N 400.526 4.732 0 40 HJAB Cc1cccc2nc(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccccc4)o3)cn12 257277665 NYWZJDUQVLXIHM-OAQYLSRUSA-N 400.482 4.589 0 40 HJAB CCCCC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Cl)cc2)c(C(=O)O)s1 257331996 XVGNECLENLNKHS-MRXNPFEDSA-N 406.935 4.939 0 40 HJAB CCO[C@]1(C(=O)Nc2ccc(OCCN3CCC[C@H](C)C3)cc2)CCC[C@H](C)C1 260812579 GWWAIPLRLWPOJE-MZLICYQSSA-N 402.579 4.721 0 40 HJAB COc1cc(/C=C/C(=O)N2CCCC[C@@H]2CSC(C)(C)C)cc(OC)c1OC 390831646 TVJJZYKSRLODSD-SXSDINLZSA-N 407.576 4.638 0 40 HJAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O 409009457 ACBADLTXCGOAMZ-XDUBLRSXSA-N 417.508 4.727 0 40 HJAB CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C 409012727 ROEXNYYNRDQEKI-GZTJUZNOSA-N 400.862 4.623 0 40 HJAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O 409173269 IAYBYZQDNFORSM-MOSHPQCFSA-N 418.474 4.930 0 40 HJAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nnc(-c4cccnc4)s3)cc12 796318 YADPTHDBAKVNBD-UHFFFAOYSA-N 418.507 4.561 0 40 HJAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cccnc1Cl 902292 RTVJTCCJKLQCOA-UHFFFAOYSA-N 414.796 4.535 0 40 HJAB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1Cl 950967 XOQWOCYVWGQYMM-GOSISDBHSA-N 415.280 4.574 0 40 HJAB CCOc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(OC)cc3)no2)C1 1362791 YYSLZNDCWJHDNS-KRWDZBQOSA-N 422.485 4.555 0 40 HJAB O=c1c2ccccc2nc2n1[C@H](CSCc1cccc(C(F)(F)F)c1)CS2 1405492 RWPBRNPGEQOCMJ-CQSZACIVSA-N 408.470 4.996 0 40 HJAB COc1ccc([C@@H](O)[P@@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 2397667 ZBCHVPFBTSZELS-IADCTJSHSA-N 411.438 4.573 0 40 HJAB Cc1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1Cl 2431876 YGPGJGFWGBHXSV-UHFFFAOYSA-N 406.939 4.905 0 40 HJAB Cc1cc(C)cc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 2447397 AJPHKKPZXUILQG-UHFFFAOYSA-N 423.929 4.817 0 40 HJAB CCCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccccc1 2497220 SSQATXMSTWPMMJ-UHFFFAOYSA-N 413.495 4.856 0 40 HJAB COc1cc(SC)ccc1C(=O)OCCCC(=O)c1ccc(Br)cc1 3360646 JMMQDFWRGSRTDM-UHFFFAOYSA-N 423.328 5.000 0 40 HJAB O=C(CCOc1cccc(Br)c1)NCCc1ccc(C(F)(F)F)cc1 3416758 LGAYUQKQRXXFCX-UHFFFAOYSA-N 416.237 4.596 0 40 HJAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NCCC1=CCCCC1 5359203 GKRRNYKAWFTQPK-CQSZACIVSA-N 402.589 4.829 0 40 HJAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)cc1C 5521779 CPCKVVGSNJUAIH-UHFFFAOYSA-N 412.599 4.862 0 40 HJAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1C(F)(F)F 6560481 REHBBYQMEGYNLG-UHFFFAOYSA-N 403.809 4.861 0 40 HJAB O=c1[nH]c(CN2CCCCCC2)nc2scc(-c3ccc(Br)cc3)c12 7002132 NMXKANQBOIQGKS-UHFFFAOYSA-N 418.360 4.790 0 40 HJAB Cc1ccc(CN(C)C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c(C)c1 7826638 DCVQMSARZSGQLP-UHFFFAOYSA-N 414.962 4.503 0 40 HJAB CCOc1ccc(N2C[C@@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)cc1 7929196 PIEXPXOGJWALEM-NRFANRHFSA-N 415.489 4.635 0 40 HJAB CCn1c(-c2ccccc2)nn(CN2CCC[C@@H]2c2ccc(OC)cc2OC)c1=S 8151280 LMFCTTJBBAJHLW-HXUWFJFHSA-N 424.570 4.913 0 40 HJAB CC(C)Cn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1ccco1 8987999 YSYSAWAYRKVSEY-HUUCEWRRSA-N 416.522 4.691 0 40 HJAB C[C@@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 9910154 OMDROCZAQPXTJL-WZONZLPQSA-N 414.505 4.900 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccc(C)cc2)cc1 10060278 BFNOXHJECMWYKS-BJKOFHAPSA-N 424.504 4.976 0 40 HJAB CN(CC(=O)NC(C)(C)C)C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 10293748 CJAXRFUCTFLMLB-UHFFFAOYSA-N 409.917 4.542 0 40 HJAB CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 10333206 XRQTWSLOBIWBQY-UHFFFAOYSA-N 412.536 4.770 0 40 HJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 10546029 BSXFBNPTIGPLOV-QGZVFWFLSA-N 420.513 4.930 0 40 HJAB O=C(NCCCc1nc2ccccc2s1)c1ccc(NC(=O)c2cccs2)cc1 11177493 VAHDJVAEQHCNTB-UHFFFAOYSA-N 421.547 4.973 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cccc(Br)c2)c(OC)c1 12782436 JCOGAWNAIRMSQX-UFUQCMIWSA-N 416.315 4.843 0 40 HJAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 12999434 GZHTURYMHAXDPG-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB COc1ccccc1C(=O)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1 13856273 XQDIQQVWGSUJHK-UHFFFAOYSA-N 424.254 4.913 0 40 HJAB Cc1nnc(SCc2nnc(-c3cc4c(s3)CCCC4)o2)n1Cc1ccccc1 14157265 AQTIAJUQWNUYPQ-UHFFFAOYSA-N 423.567 4.917 0 40 HJAB Cc1cc(I)ccc1NC(=O)c1ccc(N2CCCCC2)cc1 14398302 OZHVMZBIGDBFEP-UHFFFAOYSA-N 420.294 4.842 0 40 HJAB O=C(Cc1ccccc1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl 16478610 XPNBRKJTTVTDEV-NRFANRHFSA-N 403.869 4.838 0 40 HJAB O=C(NCc1c(-c2ccc(Cl)cc2)nc2n1CCS2)c1ccc(F)cc1F 17156500 LDGFXSXAAASGKV-UHFFFAOYSA-N 405.857 4.517 0 40 HJAB Cc1csc(NC(=O)COC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)n1 19165218 WAWNRCHABWUARH-UHFFFAOYSA-N 419.462 4.569 0 40 HJAB COc1c(C)cccc1C(=O)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19235829 HCTBYHFZJPBNRF-CQSZACIVSA-N 417.431 4.919 0 40 HJAB Cc1nc(-c2ccc(Cl)cc2)c(CC(=O)N2CCCC[C@H]2CN2CCCC2)s1 19240605 BONXSYKNIMUHOA-IBGZPJMESA-N 418.006 4.791 0 40 HJAB Cc1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1N1CCCC1=O 19933019 JRTGQSQZUIDEOF-UHFFFAOYSA-N 422.506 4.715 0 40 HJAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1cccc(Br)c1 20029963 JXCBBZVCAAIVCM-NSHDSACASA-N 418.740 4.541 0 40 HJAB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(-n5cnnc5)n4)cc3)nc2c1 21721096 ZBTZZOKEACEAFK-UHFFFAOYSA-N 424.464 4.846 0 40 HJAB CC(C)(C)c1ccc(CS[C@@H]2CCCC[C@@H]2OC(=O)CCN2CCOCC2)cc1 22002183 MRDDPWUIISWEEG-FCHUYYIVSA-N 419.631 4.794 0 40 HJAB CC(=O)Nc1ccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)cc1 22841257 JJTPCWYHNBOOAE-UHFFFAOYSA-N 401.304 4.858 0 40 HJAB COc1ccc(-c2csc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1OC 23660349 OLNUUJNCWFVZNK-LBPRGKRZSA-N 418.902 4.887 0 40 HJAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 24776803 LAWYAYNBVLDISF-HXUWFJFHSA-N 409.486 4.513 0 40 HJAB COc1cc(OC)cc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c1 26124373 CZTBFLZXXFMRTG-UHFFFAOYSA-N 422.872 4.652 0 40 HJAB Cc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)c1ccc(Cl)cc1)S2 27525588 HZFOFOPHMDMCHG-DOTOQJQBSA-N 405.310 4.535 0 40 HJAB C[C@@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@H]1c1ccccc1 28048113 XEWCVMZHDIPLMD-WAIKUNEKSA-N 420.896 4.678 0 40 HJAB CCOc1ccc(-c2nc(C)c(C(=O)N3CCn4c3nc3ccccc34)s2)cc1 28987423 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ZMFIIHDBQBMQSY-UHFFFAOYSA-N 401.557 4.543 0 40 HJAB CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)NCC(F)(F)F)c1=S 58347643 LOAGMQSFWKNHOA-UHFFFAOYSA-N 420.888 4.603 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)o2)cc1Cl 59176099 QKWIJLVIWIYDNE-UHFFFAOYSA-N 417.918 4.958 0 40 HJAB CC(C)c1ccc(C(=O)NC(=S)Nc2c(Cl)cc(C(=O)O)cc2Cl)cc1 59843119 ZLUVOMWRXPRQGG-UHFFFAOYSA-N 411.310 4.942 0 40 HJAB O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1F 67292922 SBHLOJLEMFSILW-UZGAPFOWSA-N 418.827 4.506 0 40 HJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)c(C)c2)nc1 67294402 ZFIPHIUBRDEXTA-RWEWTDSWSA-N 403.413 4.774 0 40 HJAB O=C(NCc1cnn(-c2ccc(F)cc2F)c1)NC(c1ccccc1)c1ccccc1 69564002 SQUCPKVAONVQJT-UHFFFAOYSA-N 418.447 4.739 0 40 HJAB CCCCOc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)[nH]n1 72331603 HKYDSHGKDJOWOZ-INIZCTEOSA-N 423.513 4.764 0 40 HJAB COc1cc(Br)cc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1cccc(C)c1 101147866 IDAYKZGFQVOWGI-HNAYVOBHSA-N 403.276 4.536 0 40 HJAB COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(OC)cc2)cc1 101192114 BPKVAYNXKXOHFN-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB COc1ccc([C@@H]2CC3=Nc4nonc4N[C@H](c4cccc(F)c4F)C3=C(O)C2)cc1 102735698 OPGRRHOGBQABHO-MPBGBICISA-N 424.407 4.985 0 40 HJAB CO[C@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2S[C@@H]12 104077070 JORMVECOVONDLI-XQUALCHDSA-N 404.531 4.850 0 40 HJAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(OC4CCN(C)CC4)cc3)cc2)C1 219243203 MRKYGNHVHOPDDQ-HXUWFJFHSA-N 421.585 4.644 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 223127245 FHMUZYGLURJDRX-GOSISDBHSA-N 414.977 4.647 0 40 HJAB CCc1ccc(CC)c(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 223347137 FTALOEZBTGLHSL-UHFFFAOYSA-N 422.550 4.542 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 223592884 BDLPMDZRLHBOLT-DEOSSOPVSA-N 424.585 4.878 0 40 HJAB Cc1ccc(CN(C(=O)CCSc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223808033 JUQXEOFHOXHRAK-FQEVSTJZSA-N 424.610 4.953 0 40 HJAB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1C 224026898 ZBSTWIZMVJNGKA-HSZRJFAPSA-N 422.550 4.985 0 40 HJAB Cc1cc(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1Br 224242559 HMIQBYCRLYGBEA-UHFFFAOYSA-N 420.347 4.629 0 40 HJAB Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1C 224675818 WBMFHQMYYWKMQN-OAQYLSRUSA-N 422.569 4.548 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 225666717 XMHACKUXHFLTBX-KKSFZXQISA-N 418.940 4.744 0 40 HJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1c(C)cc(N)cc1Br 226763145 MXOMMFHZLFXWJD-UHFFFAOYSA-N 404.091 4.907 0 40 HJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CCC(=O)[C@@](C)(OC(C)=O)[C@@]4(C)CC[C@H]32)C1 245240966 VQRXERHIFBGNDD-MQHLBGOHSA-N 418.574 4.852 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(C)c2)cc1 408695889 UQPKALZRMDFCSX-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB CC(C)CCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408705144 YUVRJGZEUFOHPR-JOCHJYFZSA-N 416.974 4.890 0 40 HJAB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 409167134 HNNIUMBDRUMWPB-CXUHLZMHSA-N 418.927 4.737 0 40 HJAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409202739 RUWWXQYCXAPFJK-BOPFTXTBSA-N 418.902 4.505 0 40 HJAB Clc1ccccc1OCc1nn2c(CSCc3ccccc3)nnc2s1 1501039893 JCFZMSRLIXWORT-UHFFFAOYSA-N 402.932 4.852 0 40 HJAB CCCCCC(=O)N1CCC(COc2ccccc2)(CC(=O)N2CCCCC2)CC1 2037905506 SQNZLHWAHAUAIJ-UHFFFAOYSA-N 414.590 4.657 0 40 HJAB CC(=O)N1N=C(c2ccc(Br)cc2Br)C[C@H]1c1ccccc1 688051 BQYLNSWQCNFGBD-KRWDZBQOSA-N 422.120 4.909 0 40 HJAB O=C(CSc1ncccn1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 704015 HQINSUPIYVJOHD-UHFFFAOYSA-N 411.339 4.562 0 40 HJAB Cc1cc(C(=O)COC(=O)Cc2c(Cl)cccc2Cl)c(C)n1C[C@@H]1CCCO1 2658877 DXKGFQOYDCBHNB-HNNXBMFYSA-N 424.324 4.559 0 40 HJAB COc1ccc([C@H](CNC(=S)c2cccc(Br)c2)N2CCCC2)cc1 3419276 HTXXLQMHKQYACI-IBGZPJMESA-N 419.388 4.560 0 40 HJAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)c1csnn1)c1cccc(C)c1 4964629 VLUVZCUGGSPHNK-HXUWFJFHSA-N 422.554 4.539 0 40 HJAB CC(C)C(=O)N1CCCc2ccc(NC(=O)c3cccc(Br)c3)cc21 5136369 AQEQPDJSUYMIQY-UHFFFAOYSA-N 401.304 4.637 0 40 HJAB CCN(C(=O)CSc1nnnn1-c1ccc(C)cc1C)c1cccc2ccccc12 5958325 FHBOVKWKFGVNMD-UHFFFAOYSA-N 417.538 4.578 0 40 HJAB CCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 6728012 VYWBATGYGFJZME-RUZDIDTESA-N 419.908 4.910 0 40 HJAB Cc1ccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1C 6728348 QPSMZORWEXKXSS-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3C)c3ccccc32)c(C)c1 6732329 BVLYXJDNJCSZGV-HHHXNRCGSA-N 413.517 4.928 0 40 HJAB C[C@@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)cc2C1 8303349 SGXRBFMUUDNATB-GFCCVEGCSA-N 410.461 4.602 0 40 HJAB Cc1cccc(C)c1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 10325164 ZRSKAFJXQUUMKL-GOSISDBHSA-N 420.534 4.696 0 40 HJAB COc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1CCCC1=O 11445721 VLYGNDKRPMZHTP-UHFFFAOYSA-N 400.478 4.593 0 40 HJAB COc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)c1 12178764 RYVWUHMJHCBDNN-UHFFFAOYSA-N 410.282 4.783 0 40 HJAB COc1cccc(NC(=O)c2sc(NC(=O)c3ccc(Cl)cc3)nc2C)c1 12640302 AVVSUFXNTHUIIR-UHFFFAOYSA-N 401.875 4.618 0 40 HJAB Cc1cc(C)c([C@@H](C)NC(=O)CSc2nnc(-c3ccccc3C)n2C)cc1C 12769282 PYLLEVTXVSYLLG-GOSISDBHSA-N 408.571 4.685 0 40 HJAB Cc1nc(NC(=O)c2ccc(F)cc2Cl)sc1Cc1ccc2c(c1)OCO2 12799143 YDKVKTWULPDCJZ-UHFFFAOYSA-N 404.850 4.816 0 40 HJAB CCOc1ccc(C(=O)CSc2nnc(COc3ccccc3Cl)o2)cc1 12800387 XUZKZRKKKUKTFJ-UHFFFAOYSA-N 404.875 4.676 0 40 HJAB Cc1nc(COc2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)cc2)cs1 12824836 QIOIQWWRVFZDAZ-NRFANRHFSA-N 418.522 4.884 0 40 HJAB COc1cccc(-c2cc3nc(-c4ccccc4)cc(NCCCn4ccnc4)n3n2)c1 13562758 QMNLDCZUSDMYKP-UHFFFAOYSA-N 424.508 4.771 0 40 HJAB C[C@@H](C(=O)Nc1c(Cl)cccc1Cl)N1c2cccc3cccc(c23)S1(=O)=O 13566170 RFMAJMSYCAOJBJ-NSHDSACASA-N 421.305 4.683 0 40 HJAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)NC3CCCCC3)n2CC)cc1 13871608 FHGDNMDSZRIMLD-INIZCTEOSA-N 416.591 4.541 0 40 HJAB Cc1ccc2c(CC(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)coc2c1 14094952 KTDWPZZKROJCBK-UHFFFAOYSA-N 400.482 4.907 0 40 HJAB CCCC(=O)Nc1ccc(OCC(=O)Nc2c(CC)cccc2CC)c(C(C)=O)c1 14734922 XERFLKQVRGYJFN-UHFFFAOYSA-N 410.514 4.770 0 40 HJAB Cc1cccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)c1 16844918 YSSVAXYKLLIGBL-UHFFFAOYSA-N 421.547 4.701 0 40 HJAB Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)cc1 17042290 VDYHATHDBZEYJW-UHFFFAOYSA-N 418.518 4.562 0 40 HJAB COc1ccccc1Oc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 18238816 TUKABSRYCZTCFS-UHFFFAOYSA-N 402.450 4.867 0 40 HJAB CC(C)C(=O)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19085519 PMAGCGCPEWKASA-SFHVURJKSA-N 419.504 4.783 0 40 HJAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)Cc3cccc(OC)c3)c2)cc1 19691409 ZSEBOIUCXNEQQZ-RUZDIDTESA-N 416.521 4.980 0 40 HJAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(-n2cc(Cl)cn2)cc1 20616655 NNEPSNVCQKFEHC-UHFFFAOYSA-N 422.872 4.962 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)CNC[C@H](c3ccccc3)N(C)C)ccc21 22037610 IQZIMLYWMLWWHT-RUZDIDTESA-N 414.553 4.645 0 40 HJAB O=P1(NCCCN2CCOCC2)C=C(c2ccccc2)OC(c2ccccc2)=C1 25316008 OGHWWBVADMSZSZ-UHFFFAOYSA-N 410.454 4.604 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)NCc1cccc(C(F)(F)F)c1 25988462 FJFKQTBQAQEJAX-UHFFFAOYSA-N 416.447 4.850 0 40 HJAB O=C(NCCNC(=O)c1cccc(CSc2ccc(Cl)cc2)c1)c1ccccc1 31029655 LGJBHFDJBGQFPB-UHFFFAOYSA-N 424.953 4.792 0 40 HJAB COc1ccc(Cl)c(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccc(F)cc4)cnn32)c1 32092466 HUZSIBCCNFWETC-QGZVFWFLSA-N 414.824 4.523 0 40 HJAB COc1cc(NC(=O)COc2ccccc2-c2nc3ccccc3s2)cc(OC)c1 32958143 XTRMHFUSOUPEMN-UHFFFAOYSA-N 420.490 4.998 0 40 HJAB O=c1c2ccccc2c(-c2ccccc2)nn1Cc1nc(-c2ccc(Cl)cc2)no1 33273826 VXFFWFDURNBXHD-UHFFFAOYSA-N 414.852 4.815 0 40 HJAB COc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 38772312 YSYIELPNLAEORI-UHFFFAOYSA-N 400.522 4.621 0 40 HJAB COc1ccc(C(=O)N2N=C(c3ccsc3)C[C@@H]2c2ccc3nccnc3c2)cc1 39563636 HWEMCIZTEOMONC-JOCHJYFZSA-N 414.490 4.691 0 40 HJAB O=C(Nc1ccc(Br)cc1Br)c1ccccc1-n1cccn1 40114676 SKMDTMYJQVGGPM-UHFFFAOYSA-N 421.092 4.650 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)OCc1nc(-c2ccc(Br)cc2)no1 51315188 CWMWJQICPBYIJF-XCVCLJGOSA-N 419.662 4.909 0 40 HJAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(C(=O)CCCc2ccccc2)C1 72359163 MQRLXPBFNCZVFI-OAQYLSRUSA-N 415.537 4.881 0 40 HJAB O=C(CN1CCC(COCc2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1 77191535 HINMMPKUNFZRSJ-UHFFFAOYSA-N 424.438 4.712 0 40 HJAB Cc1ccc(C)c(Oc2ccc(CNC(=O)c3ccc4c(c3)nc(C)n4C)cn2)c1 84146370 RDDLUCKCTZXQRN-UHFFFAOYSA-N 400.482 4.616 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(F)cc2Cl)S1 96118443 OBCGQQQDKNVMSQ-MLGOLLRUSA-N 409.914 4.985 0 40 HJAB CC(C)(C)N1CC2(c3ccccc3)CN(C(C)(C)C)CC(c3ccccc3)(C1)C2=O 96901745 AGGRFNRAFABJFX-UHFFFAOYSA-N 404.598 4.660 0 40 HJAB N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1CCO 100563035 QTIHLJJOEVXLFE-UHFFFAOYSA-N 420.516 4.692 0 40 HJAB CC(=O)Nc1ccc([C@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 101500601 AMQYHKDJOMZQIJ-FQEVSTJZSA-N 414.465 4.750 0 40 HJAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)Nc1ccc(Cl)cc1F 102301035 SVEJVECWEZZMFC-TYGXQLQZSA-N 400.277 4.539 0 40 HJAB OC1=C2C(=Nc3nc(SCc4ccccc4)nn3[C@H]2c2cccc(O)c2)CCC1 102673330 DMSYZEZKTUZZDW-FQEVSTJZSA-N 404.495 4.948 0 40 HJAB CCN1CCN(C(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)CC1 104074861 DAAIWSFOAYQUDT-RAAUGIHRSA-N 415.581 4.761 0 40 HJAB CC[C@H](NC(=O)COc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 223081269 OLHVAWOGGVYCAN-FQEVSTJZSA-N 402.332 4.974 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCC3=CCCCC3)ccc2Cl)c1 223958131 FEYDTQVHVJGEDV-UHFFFAOYSA-N 418.946 4.679 0 40 HJAB Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)c1 224130090 UQVNVPAVCSKBTI-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2C)cc1 224204470 LYCJFQNXDGYTTG-IBGZPJMESA-N 422.550 4.620 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 224633078 NOICNEWYDYTVSI-KRWDZBQOSA-N 418.990 4.517 0 40 HJAB O=C(O)[C@@H](Cc1ccc(I)cc1)Oc1ccc2ccccc2c1 225069094 WGDMMCWMRMWYGC-GOSISDBHSA-N 418.230 4.519 0 40 HJAB COc1ccc(NC(=S)NCCCSCc2ccccc2Cl)cc1OC 225606282 VPTSSJBOYWASFQ-UHFFFAOYSA-N 410.992 4.967 0 40 HJAB COc1ccc(SCCCNC(=S)Nc2ccc(OC)c3ncccc23)cc1 225804101 BPOKVIATETYECW-UHFFFAOYSA-N 413.568 4.721 0 40 HJAB NC(=O)CCc1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 226342365 NEDKFZPAOMKXCX-UHFFFAOYSA-N 421.093 4.892 0 40 HJAB CCc1nn2c(nnc3c(=O)n([C@@H]4CCC[C@@H](C)[C@H]4C)ccc32)c1-c1ccc(F)cc1 253577568 XFOIZPPUZGPPTA-SPYBWZPUSA-N 419.504 4.805 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c1 257226894 FMQJYFUSMUDFAQ-OAQYLSRUSA-N 410.901 4.834 0 40 HJAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(OC)cc(OC)c4)OCC[C@@]31C2 257270212 MTENJBLVXQJSFB-FLTKRMAPSA-N 401.547 4.503 0 40 HJAB CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1 408701755 FHIBQEICOJDPOA-UHFFFAOYSA-N 420.962 4.719 0 40 HJAB CCCN1C(=O)N/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O 409229511 QDHRVJKPXIGOBR-LICLKQGHSA-N 405.281 4.875 0 40 HJAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)CC3 604418722 QARNJBMZOFWDNM-UHFFFAOYSA-N 405.376 4.665 0 40 HJAB CCCNC(=O)N1CC[C@H]2CC(=O)Nc3cc(-c4ccccc4)ccc3OCC[C@H]2C1 1534646458 MAJXHVCAJOJFMO-SFTDATJTSA-N 421.541 4.522 0 40 HJAB COc1cccc(C(=O)Oc2ccc3c(=O)c(-c4ccccc4OC)coc3c2)c1 645461 RYWKGDNUBKWVLT-UHFFFAOYSA-N 402.402 4.696 0 40 HJAB biogenic Cc1cc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)no1 646590 QEHFVUPTTHJXLQ-NSHDSACASA-N 408.405 4.578 0 40 HJAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)Nc3cccc4ccccc34)nnc12 886765 CYLLYYISCWKXSS-MWTRTKDXSA-N 404.539 4.931 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)c1 924500 HVUWBUUTWYKPTN-UHFFFAOYSA-N 407.543 4.885 0 40 HJAB COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)cc1OC 1088604 KZZATVYJHGDJSE-ZDUSSCGKSA-N 417.527 4.708 0 40 HJAB O=C(Nc1cccc(Cl)c1)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 1441080 PEXNKCGRNYMIMY-UHFFFAOYSA-N 408.841 4.986 0 40 HJAB COc1ccc(-n2cc(-c3ccccc3)c3c(NC[C@H]4CCCO4)ncnc32)cc1 1447718 LYFQYWGUPJANIH-HXUWFJFHSA-N 400.482 4.687 0 40 HJAB Cc1ccc(NC(=O)c2c(N)n(-c3cccc(F)c3)c3nc4ccccc4nc23)cc1 2195369 BBLYXGKBJBYWSO-UHFFFAOYSA-N 411.440 4.856 0 40 HJAB Cc1cccc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2C)C3=O)c1 2716584 SARWEUWINRPJBG-UHFFFAOYSA-N 414.505 4.519 0 40 HJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)[C@H](C)[C@H](O)c3ccccc3)cc12 3235865 SNCBQDISOXPOKY-IERDGZPVSA-N 405.523 4.590 0 40 HJAB Cc1sc2nc(COC(=O)CC(c3ccccc3)c3ccccc3)[nH]c(=O)c2c1C 3248983 DLZPPIXTCGTCDN-UHFFFAOYSA-N 418.518 4.867 0 40 HJAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1)c1ccc(Cl)s1 3328206 VOGPLEUGWNXUKM-UHFFFAOYSA-N 416.915 4.889 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)o2)c1 4309965 SLHHHUZBJZTLKE-UHFFFAOYSA-N 404.289 4.538 0 40 HJAB CCCc1oc2cc(C)c(NS(=O)(=O)c3cccs3)cc2c1C(=O)OCC 4735746 SURWVWMWORMPLA-UHFFFAOYSA-N 407.513 4.733 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1-c1ccccc1 4840893 YQJXPODHAMAEJY-BEFAXECRSA-N 410.543 4.623 0 40 HJAB COc1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)cc1OC 4930941 KEKHHHGALIJTCC-UHFFFAOYSA-N 411.458 4.780 0 40 HJAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(OC)c(OC)c2)cc1 5256282 KYSRUYFCGOVVEG-HSZRJFAPSA-N 421.497 4.541 0 40 HJAB Cn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(C(C)(C)C)cc1 5478141 RPBKTAJOWBAKAO-UHFFFAOYSA-N 416.497 4.789 0 40 HJAB CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)Nc1c(Cl)cccc1Cl 5546826 PYUKKRHTCIXEQB-UHFFFAOYSA-N 406.265 4.988 0 40 HJAB Cc1nc2c(-c3ccccc3)c(C)nn2c(SCC(=O)O)c1Cc1ccccc1 5562482 AMVIRPIPBQEUSY-UHFFFAOYSA-N 403.507 4.781 0 40 HJAB Cn1c(SCC(=O)NCC2CCCCC2)nnc1-c1ccc(C(C)(C)C)cc1 5857562 XUERZQJNXXGRMC-UHFFFAOYSA-N 400.592 4.568 0 40 HJAB CCCCCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 6026161 MXZGSWZEPFOSCJ-UHFFFAOYSA-N 413.949 4.821 0 40 HJAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)CSc1ncn[nH]1 6172058 AQUGWPNDBBVNCM-UHFFFAOYSA-N 406.583 4.698 0 40 HJAB O=C(NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(F)cc1 6472019 LURPBCJAWMMMJG-UHFFFAOYSA-N 400.287 4.869 0 40 HJAB O=C(Nc1cc2c(cc1Br)OCCO2)c1cc2c(F)cccc2s1 8071896 PMLVHFBHRXXCFL-UHFFFAOYSA-N 408.248 4.826 0 40 HJAB Cn1ccnc1[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 8118059 KVEDPIZIKKEBTH-SFHVURJKSA-N 408.716 4.829 0 40 HJAB CC(=O)c1sc(NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)nc1C 8229689 KEXHEBSRMSOTBJ-UHFFFAOYSA-N 410.524 4.924 0 40 HJAB Cc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 8746015 KUTSTZBFVVRLAH-HXUWFJFHSA-N 403.507 4.518 0 40 HJAB Oc1ccc2c(c1)Oc1ncn3nc(COc4ccccc4)nc3c1[C@H]2c1ccccc1 9158114 MPJOXSXKKWGOQP-QFIPXVFZSA-N 422.444 4.695 0 40 HJAB Cc1ccc(N2C[C@@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)cc1C 9320946 LXIXOZFPYGDMDG-HNNXBMFYSA-N 401.388 4.893 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2c(C)cccc2C)cc1 9427214 XPKUQGXDUWUOPL-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB CCn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1cccs1 9495312 CXMALIJHBJCXLU-UHFFFAOYSA-N 414.375 4.826 0 40 HJAB O=C(Nc1nc2ccc(F)cc2s1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9632421 RDIPUPZBNIPXHS-ZDUSSCGKSA-N 417.893 4.580 0 40 HJAB Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccncc1)O2 10215155 SXCXSEUNERFHMP-PGRDOPGGSA-N 405.841 4.706 0 40 HJAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1Cl 10315141 DDEVZIHSIJSDMB-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCN1CCN(c2ccc(NC(=O)[C@H](C)Sc3ccc(Cl)cc3)cc2)CC1 11951658 VEAPICCSGFAYNQ-INIZCTEOSA-N 403.979 4.601 0 40 HJAB CC(=O)N[C@@H](CC(=O)N[C@H](c1ccccc1)c1cccs1)c1ccc(Cl)cc1 12270510 ZWNSVHKBCYVGDS-SIKLNZKXSA-N 412.942 4.875 0 40 HJAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc(NC(C)=O)c1 12767077 VTOCKMOZSBOEPX-UHFFFAOYSA-N 402.494 4.886 0 40 HJAB O=S(=O)(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1Br 12914679 UQFPOPAJWGGNBX-MRXNPFEDSA-N 400.725 4.532 0 40 HJAB Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)nn2)n1 13009933 ZIMZTZRUHSCEGY-UHFFFAOYSA-N 417.448 4.806 0 40 HJAB CCOc1cc(/C=C2\N=C(c3ccccc3OC(F)F)OC2=O)cc(Cl)c1OC 13073556 OYMCSEVRNNLVHJ-ZROIWOOFSA-N 423.799 4.693 0 40 HJAB O=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1F 13362572 IVSOYPFJRVYTRB-UHFFFAOYSA-N 421.833 4.770 0 40 HJAB CC1CCN(CCc2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2C)CC1 13817029 PJNBZRJDTBHJSJ-UHFFFAOYSA-N 410.949 4.753 0 40 HJAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 14622893 MOMVUHJFEBEKHA-UHFFFAOYSA-N 401.871 4.788 0 40 HJAB CC(=O)N[C@@H](C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)C(C)C 14792991 QWXQTRDWQJTXNE-GOSISDBHSA-N 421.360 4.700 0 40 HJAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc(Br)ccc1Cl 16014423 FRPOOPCZCXOFST-UHFFFAOYSA-N 421.722 4.981 0 40 HJAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1OCC 16966248 MWDSZQIQYONCEO-UHFFFAOYSA-N 416.905 4.672 0 40 HJAB CCc1c(C(=O)Nn2c(=S)[nH]c3sc4c(c3c2=O)CC[C@@H](C)C4)csc1C 17091978 BKZRUXCKUVVVHQ-SECBINFHSA-N 419.597 4.562 0 40 HJAB COc1ccc(OC)c(Nc2nc(Nc3ccc(Cl)cc3)c3cnn(C)c3n2)c1 17148988 WWKYIEFMKLHUKK-UHFFFAOYSA-N 410.865 4.521 0 40 HJAB COC(=O)/C(=C\c1ccc(/C=C(/C(=O)O)c2ccc(OC)cc2)o1)c1ccccc1 17175754 RCJZGELYXLOSJG-TZKOODLUSA-N 404.418 4.627 0 40 HJAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cccc(F)c2)CCO1 19697536 OSBPXUQFFXSEHP-LJQANCHMSA-N 412.530 4.752 0 40 HJAB CCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)c3snnc3C)cc2)O[C@@H](C(C)C)C1 19711767 VNXJEVBPVGYTAB-AQNXPRMDSA-N 416.591 4.685 0 40 HJAB Cn1c(C(F)(F)F)nc2cc(NC(=O)c3cc(-n4cccn4)ccc3Cl)ccc21 19715193 PFPAVQFZCSJOHJ-UHFFFAOYSA-N 419.794 4.684 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 19717249 DBZQBXODRSZSOW-QFIPXVFZSA-N 403.526 4.840 0 40 HJAB Cc1cc2nc(CCNC(=O)c3c(-c4ccccc4Cl)noc3C)[nH]c2cc1C 19718286 VWMFDYXIMJOIRQ-UHFFFAOYSA-N 408.889 4.769 0 40 HJAB CC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 20458855 IOOHOLYUXKHDIC-QFIPXVFZSA-N 422.550 4.985 0 40 HJAB O=C(CCn1cnc2sc3c(c2c1=O)CCC3)Nc1ccccc1-c1ccccc1 32870712 FYRUHFGWNRHWFQ-UHFFFAOYSA-N 415.518 4.643 0 40 HJAB COc1cc2nc(NC(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)sc2cc1OC 40115959 XHJQTTSUEYZQHD-UHFFFAOYSA-N 414.483 4.622 0 40 HJAB CCc1sc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)cc1C 40142760 ZLPFQRLLRUSMGS-UHFFFAOYSA-N 411.493 4.642 0 40 HJAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccccc2OC(C)C)c(OC)c1 44903061 RXRSUMYDBBENPV-KRWDZBQOSA-N 407.470 4.800 0 40 HJAB C[C@@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)Nc1ccccc1OC(F)F 48340220 QTBRSRZNVJIIQU-SNVBAGLBSA-N 411.861 4.947 0 40 HJAB Fc1ccc(-c2cc3ncnc(N4CCN(Cc5ccccc5)CC4)c3s2)cc1 58159643 OXIKJFHLDVKYTG-UHFFFAOYSA-N 404.514 4.820 0 40 HJAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCCc3csc(C(C)C)n3)c12 58223331 CMDCZZOBCWVTLA-UHFFFAOYSA-N 406.511 4.751 0 40 HJAB O=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccnc(NC3CC3)c2)CC1 65522185 DUFQNQQXALFHAW-UHFFFAOYSA-N 418.324 4.698 0 40 HJAB O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(F)cc(F)c1 67292940 JUYMONQKWJBBRC-OEJOWEAXSA-N 418.827 4.506 0 40 HJAB CCc1c(C)noc1-c1cnc(NCc2ccc(F)cc2)nc1-c1cnc(C)cn1 72337657 OYEDQJQCBWABGY-UHFFFAOYSA-N 404.449 4.519 0 40 HJAB COc1cccc(-c2cncc([C@@H]3CCCN(C(=O)CCCc4ccccc4)C3)n2)c1 72359833 SLORYFKUIRVPOV-JOCHJYFZSA-N 415.537 4.881 0 40 HJAB Cc1ccc([C@H](CNc2cc(Cn3c(C)nc4ccccc43)nc(C)n2)N(C)C)cc1 72373247 IPIIHYFJZMBTQD-DEOSSOPVSA-N 414.557 4.515 0 40 HJAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 89689267 AQLWHUJTQSSPRN-ZCNNSNEGSA-N 409.530 4.699 0 40 HJAB Cc1ccc(NC(=O)[C@@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)cc1C 96062719 XDBBJNANSXPDTA-DEOSSOPVSA-N 402.542 4.819 0 40 HJAB CC[C@@]1(C(=O)c2ccccc2)[C@H]2c3ccccc3OC(=O)[C@@]21C(=O)Nc1ccccc1 100167367 OEJZGHBJYQRMAI-NYMACZPPSA-N 411.457 4.607 0 40 HJAB COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@H]4CCCC[C@@H]4[C@@H]3C2=O)cc1 102961274 GECBHJXRQAUPDJ-FHQLIMNDSA-N 400.478 4.737 0 40 HJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 222941350 KZEGGKFJKISARF-FQEVSTJZSA-N 407.514 4.850 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 223035072 PZTDBBJBLKSHQY-LJQANCHMSA-N 413.905 4.823 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 223127597 XIRRPGNQZAPMAL-QFIPXVFZSA-N 424.585 4.796 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccccc1C 223959520 UXNSDALLKVVBDQ-QHCPKHFHSA-N 422.550 4.985 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 224565043 YASALVRUNMSXRU-UHFFFAOYSA-N 424.522 4.755 0 40 HJAB Cc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225586564 GEWPUMLROQLESF-QGZVFWFLSA-N 418.940 4.583 0 40 HJAB Cc1ccccc1-c1noc(CCC(=O)Nc2ccc(Br)cc2F)n1 225815912 NYMJGEIEIMRIPU-UHFFFAOYSA-N 404.239 4.518 0 40 HJAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 227280067 GCOOIAVCDYKMJO-PXDATVDWSA-N 414.461 4.709 0 40 HJAB CC(C)CC(=O)N1CCC[C@@H]1c1nc(COc2ccc(Cl)cc2)c(C(=O)O)s1 257278764 ODOPTGPMQMEPSJ-MRXNPFEDSA-N 422.934 4.783 0 40 HJAB CC(C)n1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(F)cc2)CC1 306133177 MEASBRCYYZEPQZ-UHFFFAOYSA-N 405.473 4.794 0 40 HJAB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc2ccccc12 408645855 LSQAMKUQDDVMDT-UHFFFAOYSA-N 418.493 4.693 0 40 HJAB Cc1cc2nc3s/c(=C\c4ccc(Sc5ccccc5)o4)c(=O)n3c2cc1C 408759482 FVVDTFDPYYGQPT-UNOMPAQXSA-N 404.516 4.818 0 40 HJAB Cc1cccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2cccc(Br)c2)c1 408841389 GPXLYGBKLYXSMH-DEDYPNTBSA-N 418.294 4.987 0 40 HJAB COc1cccc(C2=N/C(=C\c3ccccc3OC(=O)c3ccc(C)cc3)C(=O)O2)c1 409192379 BVXPEFXGKMJOKZ-QNGOZBTKSA-N 413.429 4.567 0 40 HJAB Cc1nn(CCNC(=O)c2ccc(OC(F)(F)F)cc2)c(C)c1-c1cccs1 575612527 GPMOGCCAUAHSOC-UHFFFAOYSA-N 409.433 4.557 0 40 HJAB Cc1cc(OC[C@]2(O)CCCN(C(=O)c3ccc(F)cc3F)CC2)cc(C)c1Cl 2037912370 KMHCKWZQFQJJIU-QFIPXVFZSA-N 423.887 4.671 0 40 HJAB O=C(NCc1ccc(F)cc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 646970 YGDSZUWISHOKMD-SJLPKXTDSA-N 418.394 4.613 0 40 HJAB CN(Cc1ccccc1)C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 901879 MTTBPNQYKQCATG-UHFFFAOYSA-N 407.417 4.506 0 40 HJAB O=C(NC1CCCC1)[C@H](c1ccncc1)N(C(=O)c1ccco1)c1ccc(Cl)cc1 1379988 UBVIUOIHXVFSOQ-NRFANRHFSA-N 423.900 4.775 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 2193539 MIDLXLJTIXCRRL-UHFFFAOYSA-N 408.483 4.527 0 40 HJAB COCCCNc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)C[C@H](C)CC3 2384354 ZRWDPCOAGVIRKJ-CYBMUJFWSA-N 417.962 4.674 0 40 HJAB CCCCCOC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc12 2416726 UORGLUDRMDJQDM-UHFFFAOYSA-N 402.498 4.870 0 40 HJAB CCN(CC)CCNc1nc(SC(C)C)nc2sc3c(c12)CC(C)(C)OC3 2428940 CZCWZYZWNVNHPA-UHFFFAOYSA-N 408.637 4.797 0 40 HJAB Cc1ccc2c(c1)C1=C([C@H](c3cccs3)O2)[C@H](c2ccccc2F)N2N=CNC2=N1 2707241 REPITCNPHAZQEL-VXKWHMMOSA-N 416.481 5.000 0 40 HJAB Cc1ccc(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 3257391 KTNYJPGYAAWQIY-UHFFFAOYSA-N 422.550 4.836 0 40 HJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc(Cl)cc1C(F)(F)F 3487038 SECQAZPHINHVAM-UHFFFAOYSA-N 412.824 4.875 0 40 HJAB COc1cc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)cc(OC)c1OC 3549676 CRRJGXUCTONRMR-UHFFFAOYSA-N 421.478 4.636 0 40 HJAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C(C)C)cc2)N2C(=O)CCSC2=N1 3652390 MRCNDHAYNNJRKA-HXUWFJFHSA-N 400.544 4.659 0 40 HJAB COc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O 4012086 CIZSTSGGCAXLQN-YENTXNKWSA-N 409.485 4.938 0 40 HJAB O=C(NC1CCCC1)[C@H](c1ccccc1F)N(C(=O)c1ccco1)C1CCCCC1 4240660 DAJNAIWTHBXTHN-QFIPXVFZSA-N 412.505 4.994 0 40 HJAB COC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc(-c2ccccc2)c1C 5024712 MQZIKWGFNMNFLP-UHFFFAOYSA-N 411.479 4.780 0 40 HJAB CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 5554373 RYTRTBGHTVYRJW-MRXNPFEDSA-N 419.529 4.753 0 40 HJAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)c1ccc(Br)cc1 5998581 FJELXLWHHNRPFM-UHFFFAOYSA-N 408.708 4.863 0 40 HJAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1 6024009 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COC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)coc2c1 950717 XMNGKWSYEAYTHY-CYBMUJFWSA-N 402.830 4.796 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CCCCC2 996548 GENMGWFRKVHRSP-UHFFFAOYSA-N 412.305 4.802 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(OC)c(OC)c1 1465828 AGSDTALXQXYYGD-UHFFFAOYSA-N 411.479 4.861 0 40 HJAB CCc1cc2c(SCC(=O)Nc3nc(C)c(Cl)cc3Cl)ncnc2s1 2618641 SJFHDVQEGCEEHM-UHFFFAOYSA-N 413.355 4.995 0 40 HJAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc(SC(F)F)cc1 3239216 LKTFTUDPWNWBEH-UHFFFAOYSA-N 407.772 4.728 0 40 HJAB O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1 3396530 LTGFFUAVIAINGY-UHFFFAOYSA-N 414.914 4.735 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 3548633 DHAVTCHJLOUPDY-UHFFFAOYSA-N 420.962 4.638 0 40 HJAB Cc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(O)cc2)nc1 3655770 DEDNYYHRDJSCDO-JOCHJYFZSA-N 412.445 4.569 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 3984997 PGSWBIZOBGMFIQ-UNTFZJFLSA-N 416.631 4.567 0 40 HJAB biogenic COc1ccc(C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)cc1OC 4162437 FOOCJKVBUDXXHI-UHFFFAOYSA-N 416.433 4.955 0 40 HJAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cc4ccccc4)cc3)c2C(N)=O)C1 4200609 IIJBQYOKIHLRAU-HNNXBMFYSA-N 404.535 4.815 0 40 HJAB CC[C@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 4469870 RRZOTDIIIGOAHQ-GDGUIRGDSA-N 418.493 4.776 0 40 HJAB C[C@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21 4555234 WVJYHISCQIDKMU-NSYGIPOTSA-N 419.908 4.636 0 40 HJAB CCOC(=O)[C@H](C)Oc1ccc2oc(=O)cc(-c3cc4cccc(OC)c4o3)c2c1 4586210 FFFOXEXYJUVREJ-ZDUSSCGKSA-N 408.406 4.545 0 40 HJAB biogenic COc1ccc(CCCc2nnc(SCC(=O)Nc3cc(C)ccc3C)o2)cc1 4690508 FIDNRSRUZFJULL-UHFFFAOYSA-N 411.527 4.601 0 40 HJAB CCn1c2ccccc2c2cc(NC(=O)CCn3cnc4ccccc4c3=O)ccc21 5245035 MOKPXWFKXYHPIK-UHFFFAOYSA-N 410.477 4.553 0 40 HJAB O=C([C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1)N1CCCC1 5472646 ANPVIDUCJIQZEZ-LJQANCHMSA-N 404.495 4.674 0 40 HJAB CCN(C(=O)COC(=O)CCC(=O)c1ccc(F)cc1)c1cccc2ccccc12 5781940 HDCRCDDYWSPGTH-UHFFFAOYSA-N 407.441 4.538 0 40 HJAB CCC(=O)Nc1ccc(C2=NN=C(Nc3cccc(C(F)(F)F)c3)SC2)cc1 5934289 LXXUGAAZDREYEI-UHFFFAOYSA-N 406.433 4.973 0 40 HJAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)cc2)C1=O 6954686 AYJBEJZRIFPJLO-LDADJPATSA-N 413.520 4.746 0 40 HJAB CCC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 7800056 OIULHOCKZBQIRY-UHFFFAOYSA-N 408.479 4.623 0 40 HJAB CCc1ccc(N2C[C@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)cc1 7882529 UCPWIKAUPJTDDY-MRXNPFEDSA-N 415.331 4.620 0 40 HJAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCC(c2nc3ccccc3s2)CC1 8305839 BIIJTXVZTVACJO-UHFFFAOYSA-N 400.887 4.698 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1 8318011 MVCFURMPADNNNC-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB O=C(NCc1ccccc1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 8476845 PWOBLQLJFGCTFQ-UHFFFAOYSA-N 406.848 4.657 0 40 HJAB Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(C(C)C)cccc3s2)nn1C 9002439 JOQQHKHXMVCGSU-UHFFFAOYSA-N 405.527 4.704 0 40 HJAB COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccs2)cc1 9463005 NNJIVUBJYWHJGS-UHFFFAOYSA-N 404.491 4.754 0 40 HJAB COc1ccc(C)cc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10313939 RGUOCAKCXQGWRN-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CCOc1ccc(NC(=O)[C@@H]2Sc3ccc(C)n3N[C@@H]2c2ccc(OC)cc2)cc1 11114895 LCSHLLIHLUCRJZ-FGZHOGPDSA-N 423.538 4.602 0 40 HJAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)OCc1nc2ccccc2s1 12269229 CRMRWMDWANDRIS-UHFFFAOYSA-N 400.406 4.906 0 40 HJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(OC)c(Cl)c1)O[C@@H](C)C2 12555670 PQJFIFLOMCMIHW-QWHCGFSZSA-N 404.894 4.510 0 40 HJAB C[C@H](c1nnc(SCc2cc(-c3ccccc3)on2)n1-c1ccc(F)cc1)N(C)C 12595044 LENLCJFTNRICTE-OAHLLOKOSA-N 423.517 4.976 0 40 HJAB Cc1cccc2c(=O)n(CCCC(=O)Nc3ccccc3Cc3ccccc3)cnc12 12752074 QHHXTWIBILDBRJ-UHFFFAOYSA-N 411.505 4.715 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12977708 APYXEJPHKUQZRJ-LZGZYFLISA-N 400.950 4.794 0 40 HJAB O=C(Nc1ccccc1Br)c1nn(-c2ccc(F)cc2)c2c1CCC2 12993282 XGGLERMIRHNAHL-UHFFFAOYSA-N 400.251 4.515 0 40 HJAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccccc1OCc1ccccc1)CC3 13017862 SSPRDMKYUNFOJU-XMHGGMMESA-N 424.456 4.618 0 40 HJAB C[C@@H](CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 13071270 DDBDXLFHKOXHNX-AWEZNQCLSA-N 411.855 4.596 0 40 HJAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@@H]2C1=O 13513354 FSNRYIANYKCYPE-FKBYEOEOSA-N 418.880 4.700 0 40 HJAB CC(=O)N[C@@H](CC(=O)N(C)CC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 16180414 GZCFXVAJGXKBHD-DSQUVOCVSA-N 402.966 4.582 0 40 HJAB Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2)c1 16956192 VTERIPRODZDKEM-UHFFFAOYSA-N 404.495 4.791 0 40 HJAB FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CCCN3C[C@@H]3CCOC3)nn12 19344180 UQQTWWUFYFFZMD-XJKSGUPXSA-N 422.476 4.650 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2c(CC)noc2C)n1 19525566 LMJFZKRELILMBH-FQEVSTJZSA-N 419.529 4.717 0 40 HJAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)Cc2ccccc2F)n1 19525658 SNEIMWMGPVDRNG-FQEVSTJZSA-N 422.504 4.746 0 40 HJAB CSc1ccc([C@H](c2c(NC(C)=O)sc3c2CCCC3)N2CCOCC2)cc1 20192249 QOWXHZRGQCPBJC-OAQYLSRUSA-N 416.612 4.729 0 40 HJAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(I)cc1 21577790 BMWZLDCCIWMSLB-UHFFFAOYSA-N 424.257 4.673 0 40 HJAB COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c(OC)c1 21595766 AYEUPKHWCCVKGS-UHFFFAOYSA-N 409.829 4.813 0 40 HJAB CN(C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)C1CCCCC1 22508892 VKGKXJUIDHDKPB-DEOSSOPVSA-N 408.567 4.866 0 40 HJAB O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(-c3cccc4ccccc34)c12 22606773 ONIQSWRKIFSCDT-UHFFFAOYSA-N 404.473 4.701 0 40 HJAB O=C(CCc1nc2ccccc2s1)N1CCN(Cc2cccc3ccccc23)CC1 23936664 ZWNTXSLZDCLMAP-UHFFFAOYSA-N 415.562 4.727 0 40 HJAB COc1ccccc1[C@H](CNC(=O)CCc1ccc(-c2ccccc2)o1)N1CCCC1 24830398 YSZYVJDIYYPSTR-QHCPKHFHSA-N 418.537 4.841 0 40 HJAB O=C(c1ccccc1C(F)(F)F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 25433562 OEKVXRABHNHEEF-UHFFFAOYSA-N 402.338 4.687 0 40 HJAB O=C1COc2ccc(NC(=O)c3ccc(COc4ccc5ccccc5c4)o3)cc2N1 28234936 KRXCTHLRTXJDRS-UHFFFAOYSA-N 414.417 4.595 0 40 HJAB COc1ccc([C@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CCCC2)cc1 28287938 XDJPBCZBJMRTCY-QFIPXVFZSA-N 406.526 4.934 0 40 HJAB O=C(O)c1cc(/C=C/c2cccc(NC(=O)C(F)(F)F)c2)nc2cc(F)ccc12 31855874 KAEWTZCTZJAWRV-GQCTYLIASA-N 404.319 4.743 0 40 HJAB COc1ccc(Cl)cc1NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32578619 QMAXKTDPFFTVBK-UHFFFAOYSA-N 401.850 4.540 0 40 HJAB COCCNC(=S)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 33612567 ISEZDBWNCHVZFG-UHFFFAOYSA-N 414.534 4.897 0 40 HJAB O=C(NCc1nc2ccccc2[nH]1)c1cc2occc2n1Cc1ccccc1Cl 36354550 RHSVYEPJBNXBTB-UHFFFAOYSA-N 404.857 4.742 0 40 HJAB Cc1ccc(CSCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38837187 KMXZEBDIPPFYOL-NRFANRHFSA-N 417.018 4.910 0 40 HJAB COc1ccc(-c2nc(CC(=O)N3CCCCc4ccccc43)cs2)cc1OC 40133982 YLSFGZQGXXLWMD-UHFFFAOYSA-N 408.523 4.739 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1cccc3c1OCCO3)CC2 48325817 WWQUGFPZOYYJQR-QHCPKHFHSA-N 423.534 4.684 0 40 HJAB CCCCOc1ccc(C(=O)NC(=S)Nc2c(Cl)ccc3nsnc23)cc1 57315657 MGTNFGSCMCCFIK-UHFFFAOYSA-N 420.947 4.650 0 40 HJAB CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2ccc(F)cc2)c1 57486290 FLGDMRIKHXSGPE-UHFFFAOYSA-N 411.502 4.516 0 40 HJAB Cc1cccc(-c2cc(C[C@]3(C(=O)O)CCCN(C(=O)CCC4CCCC4)C3)on2)c1 57773695 KSQKBWGVADBKJT-RUZDIDTESA-N 424.541 4.856 0 40 HJAB Fc1c(-c2nnc(Cc3ccc(Cl)cc3)o2)nc2ccc(Br)cn12 66089049 HQFDALMKQXYCMS-UHFFFAOYSA-N 407.630 4.530 0 40 HJAB O=C(NCc1ccccc1Cl)c1ccc(Oc2nccnc2N2CCCCC2)cc1 67323923 MAXBVNNOYJPNBN-UHFFFAOYSA-N 422.916 4.843 0 40 HJAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(Cc2ccncc2)C1 72391193 AQPWHURBPBIETE-VWLOTQADSA-N 419.594 4.723 0 40 HJAB Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1)[C@@H]1CCC[C@H](C)C1 84235043 QESMUMSYLVWZFD-YRISNDGFSA-N 422.573 4.705 0 40 HJAB C[C@H](COc1ccc(Cl)cc1)NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 141585590 DZYIFQSMOWBTRR-CYBMUJFWSA-N 402.281 4.648 0 40 HJAB COC(=O)c1ccc(C)c(NC(=O)COc2ccc(C(C)C)cc2Br)c1 218871117 VATQSAFANKEHLJ-UHFFFAOYSA-N 420.303 4.685 0 40 HJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219321654 JGTJYEHJRUOARF-ROUUACIJSA-N 403.906 4.925 0 40 HJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(O)c(Br)c3)N21 222665703 IHYPZFSBNFQPAP-AFAVFJNCSA-N 404.333 4.529 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C 223267885 JYBGHIJEYIBIMA-JOCHJYFZSA-N 424.585 4.713 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 223330956 CTNXDHHJSJMYLF-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 223809375 YLUAODMEHUUTDS-OAQYLSRUSA-N 416.562 4.642 0 40 HJAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 223926775 OYZXJNAOFAPMHC-GOSISDBHSA-N 408.523 4.595 0 40 HJAB COc1cccc(C(=O)Nc2nnc(SCc3cccc(Cl)c3)s2)c1OC 225050324 SSKYCTULTPGPMJ-UHFFFAOYSA-N 421.931 4.753 0 40 HJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225738808 HOFCTQOZOSTGMY-REHUZNOOSA-N 404.595 4.967 0 40 HJAB CCOc1ccc(NC(=O)C2(C)COC(c3ccc(OC)cc3)OC2)c2ccccc12 225916833 SCRWNZMWHVFJOQ-UHFFFAOYSA-N 421.493 4.938 0 40 HJAB CCCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C(C)C)CC1 257218325 DCSFNGAOZPSCJZ-UHFFFAOYSA-N 424.560 4.826 0 40 HJAB Cc1nc(-c2ccccc2F)sc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C 257281950 ORQRDSQNOKPADE-RTNRFSENSA-N 413.562 4.735 0 40 HJAB O=C(Nc1cccc(Br)c1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 408696811 CBVCYUFYGQNOSR-UHFFFAOYSA-N 419.282 4.949 0 40 HJAB Cc1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1Cl 408704123 JVDUWXWKENTEQD-UHFFFAOYSA-N 414.914 4.729 0 40 HJAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(OC)c3ccccc23)S1 408810020 ITZPZPQFNDJZMO-UHFFFAOYSA-N 405.499 4.928 0 40 HJAB Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c1 409380959 KLYVQHBGXGEHMV-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1ccccc1-c1cc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)no1 585152236 DWQHWFDUTJWUCH-HXUWFJFHSA-N 402.454 4.827 0 40 HJAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1C[C@H]2CCCN2c2ccccc21 643173174 WFNKYGZMGOGOEM-HXUWFJFHSA-N 412.537 4.906 0 40 HJAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(C(=O)NC(C)C)ccc21 643575901 QLUWWQKRDYIPJU-UHFFFAOYSA-N 401.595 4.600 0 40 HJAB O=C(O)c1ccc2c(c1)Cc1cccc(c1)CN(CC1CCCCC1)CCOCCO2 643583224 ZZIARLRPXQLHKT-UHFFFAOYSA-N 423.553 4.767 0 40 HJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(-c2cccs2)nn1C 1775966388 BEYSPAHAYIOITD-UHFFFAOYSA-N 412.902 4.695 0 40 HJAB CC(C)(C)NC(=O)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 647013 HOXRFAJAFIGRLR-NWDGAFQWSA-N 400.832 4.725 0 40 HJAB Cc1ccc(C(=O)N/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N(C)C)cc1 823327 BRBYATVRDAWKML-HAVVHWLPSA-N 400.478 4.646 0 40 HJAB C[C@@H]1CCCCN1C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 901464 GHPXEXXLPQXYKG-LLVKDONJSA-N 401.479 4.717 0 40 HJAB CCOc1ccc2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)COC)cc2c1 1367859 XUFPKPRAILAWIK-UHFFFAOYSA-N 416.880 4.601 0 40 HJAB CCCSc1nnc2n(CCC)c3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 2249152 GMRLQIUCMGENTJ-UHFFFAOYSA-N 408.571 4.838 0 40 HJAB O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1ccc(Br)cc1 2363087 IRBOBJUDPKPHMW-UHFFFAOYSA-N 421.250 4.870 0 40 HJAB COc1cccc(-c2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)o2)c1 2720306 PJLGDUYQRSVGIL-UHFFFAOYSA-N 424.507 4.600 0 40 HJAB O=C(COC(=O)c1cccc2ccccc12)Nc1ccc(Br)cc1F 3235570 DZZORKLYWPZDGP-UHFFFAOYSA-N 402.219 4.537 0 40 HJAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@](OC(C)=O)(C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 3849787 SBWDYFUYGAMEGM-YFZYAMFLSA-N 418.574 4.852 0 40 HJAB COc1ccc(/C=C2/SC(=N)NC2=O)cc1OCc1ccc(Cl)cc1Cl 4426496 HLHRPGWDRBJFLC-FRKPEAEDSA-N 409.294 4.720 0 40 HJAB COc1ccc(CNC(=O)Cc2c(C)[nH]c3ccc(OCc4ccccc4)cc23)cc1 4576171 AJDISTDZIVJKIE-UHFFFAOYSA-N 414.505 4.923 0 40 HJAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1ncnc2c(-c3ccc(F)cc3)nsc12 4886002 MUKYFAXMEFAQCP-IUODEOHRSA-N 416.547 4.679 0 40 HJAB CC[C@@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1nc2ccccc2s1 5016539 LHRXUGYUXQQIEK-MRXNPFEDSA-N 407.524 4.658 0 40 HJAB Cc1ccccc1-c1nnc(SCc2cc3c(cc2Br)OCO3)o1 5169921 ZRAKEELMUCBRRT-UHFFFAOYSA-N 405.273 4.829 0 40 HJAB CC(C)CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O 5491981 YDGUIFAGOMWIGB-HNNXBMFYSA-N 420.538 4.532 0 40 HJAB CCCc1ccc(C(=O)COC(=O)c2cccnc2Nc2ccccc2OC)cc1 5688833 YFAAFDMQXPXHNI-UHFFFAOYSA-N 404.466 4.826 0 40 HJAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)NC(=O)NC(C)(C)C)nc2c1 6589447 PMMHCXKVWZHOEO-UHFFFAOYSA-N 423.538 4.627 0 40 HJAB CCCN1C(=O)S[C@@H](Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 6879229 XEQVBECDMXGBHE-IBGZPJMESA-N 419.930 4.944 0 40 HJAB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(C)c(Cl)c1 7939845 IDYYKEZHIXZXJV-UHFFFAOYSA-N 416.905 4.502 0 40 HJAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(CC)c2ccccc2O3)cc1 8961100 AMUZUTWNJKYCBP-UHFFFAOYSA-N 422.506 4.822 0 40 HJAB CC(C)[C@@H](NC(=O)N(C)CC(=O)Nc1cccc2ccccc12)c1ccc(F)cc1 9873044 TUTUZVGVMIJHNN-HSZRJFAPSA-N 407.489 4.956 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(F)cc(F)c3)C2)c2ccccc12 12763036 XPKRZBBKSOZJFF-OAHLLOKOSA-N 424.447 4.618 0 40 HJAB CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)[C@@H](c2ccc(F)cc2)n2ncnc2N1 13997593 LVNJZTCQCWHYQS-QGZVFWFLSA-N 418.259 4.652 0 40 HJAB CCc1ccc(-c2noc(CCC(=O)Nc3ccc(N4CCCCC4)cc3)n2)cc1 14857302 ITKCIGMFMLYKHV-UHFFFAOYSA-N 404.514 4.861 0 40 HJAB Cc1cc(C(=O)Nc2cccc(Cn3cccn3)c2)c2c(C)nn(-c3ccccc3)c2n1 17093093 VMORHSJMPKLOGH-UHFFFAOYSA-N 422.492 4.534 0 40 HJAB CCc1nc2ccccc2n1C[C@H](C)C(=O)N[C@@H](c1ccncc1)c1cccs1 19523274 QSQYNNAPJALDIQ-AOMKIAJQSA-N 404.539 4.597 0 40 HJAB O=C(NCc1ccccc1)N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20522655 LEBOSLLBYNSMJS-FQEVSTJZSA-N 418.884 4.979 0 40 HJAB Cn1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c2ccccc21 22234336 RXHUSVOPLGVHCL-UHFFFAOYSA-N 414.305 4.828 0 40 HJAB COC(=O)c1ccc(OCc2coc(-c3ccc(F)cc3)n2)c(Br)c1 23075033 RYMJAUXRZYXDKM-UHFFFAOYSA-N 406.207 4.609 0 40 HJAB CCCOc1c(Br)cc(C(=O)Nc2ccc(F)cc2OC)cc1OC 25308610 MRMBMORFOLODDZ-UHFFFAOYSA-N 412.255 4.647 0 40 HJAB Cc1cc(SCC(=O)N(C)Cc2nc3ccccc3[nH]2)c(C)cc1Br 30659105 YMWCFYTWFBMSTE-UHFFFAOYSA-N 418.360 4.693 0 40 HJAB Cc1nc2c3ccccc3nc(SCc3cc(=O)oc4cc(C)c(C)cc34)n2n1 32871510 CICDEMYQDZWTHK-UHFFFAOYSA-N 402.479 4.601 0 40 HJAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ncc(Cl)c(C)c3Cl)n2)cc1 32957589 OHEMWLSXFRKTDK-UHFFFAOYSA-N 422.341 4.775 0 40 HJAB O=C(COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)NCc1ccccc1 33327317 VVXDKQIMHWXVJJ-UHFFFAOYSA-N 419.868 4.752 0 40 HJAB C[C@H]1CCCC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 38501124 XTDSKTSFUZMXHK-UWJYYQICSA-N 407.489 4.899 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)N1CCN(c2ccc(F)cc2)CC1 54105763 DWLQQSQXUARJQP-RUZDIDTESA-N 400.501 4.922 0 40 HJAB CCN1CCN(c2ccc(NC(=O)N[C@H](C)c3cc4ccccc4o3)cc2C)CC1 57863763 WPSOXNRBPXZDBH-GOSISDBHSA-N 406.530 4.766 0 40 HJAB O=C(NCc1ccc2c(c1)OCCO2)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 58324619 QTGWERUJKFJDEB-ADXLDGDMSA-N 403.522 4.612 0 40 HJAB Cc1nc2cc(C(=O)Nc3ccc(F)c(NC(=O)C4CCCCC4)c3)ccc2n1C 58366976 NINVUHXNELRBAQ-UHFFFAOYSA-N 408.477 4.792 0 40 HJAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C(C)C 65322289 FGRRJGCFOGFXQE-UHFFFAOYSA-N 420.557 4.929 0 40 HJAB O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 72330463 DEONCXUXOAKGMU-NVQXNPDNSA-N 417.528 4.533 0 40 HJAB O=C(/C=C(/c1ccccc1)C(F)(F)F)Nc1cc(Cl)ccc1N1CCOCC1 96316216 ICIBDLFXFLWAOE-SSZFMOIBSA-N 410.823 4.761 0 40 HJAB Cc1ccc(NC(=O)/C=C\c2ccccc2F)cc1NS(=O)(=O)c1ccccc1 98007638 FSWLHIRXTQMAMQ-OWBHPGMISA-N 410.470 4.587 0 40 HJAB CC(C)Oc1ccc(C(=O)/N=c2/sc3cc(Br)ccc3n2C)cc1 100863680 TXKVPPLLAWUPFV-CZIZESTLSA-N 405.317 4.531 0 40 HJAB Cc1nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCOCC2)ccc1Cl 224015595 PWUMOSPTQAMDDJ-UHFFFAOYSA-N 410.370 4.732 0 40 HJAB Cc1ccc(C(=O)NC2CCCCCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224052427 HXJOKIKEUWTCCO-UHFFFAOYSA-N 420.962 4.902 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 224201634 GUTPPVHAFRNHPJ-XMMPIXPASA-N 406.570 4.794 0 40 HJAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccc(OC)cc1 224599800 IENCOVGTZVQGII-UHFFFAOYSA-N 407.466 4.934 0 40 HJAB CC(C)c1ccccc1N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O 224838707 JKSGKDXNNOOYDM-UHFFFAOYSA-N 410.624 4.687 0 40 HJAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(CN2CCCC2)cc1 224982029 MGNLBOSXXRWPMB-UHFFFAOYSA-N 410.568 4.679 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 225035085 LQEHUUQSKMXXFL-QZTJIDSGSA-N 400.950 4.523 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 225170897 HZGQASQJWLCKEQ-RBUKOAKNSA-N 414.977 4.831 0 40 HJAB S=C(NCCSCc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCO2 225344801 AKMYWKCVXZFESE-UHFFFAOYSA-N 415.367 4.942 0 40 HJAB Cc1ccc(C)c(NC(=S)NCc2nc(-c3cccc(Br)c3)no2)c1 225824957 GGGYEUJWUCTZKB-UHFFFAOYSA-N 417.332 4.603 0 40 HJAB O=C(COc1ccccc1F)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257199900 ABEQQECFRFHABE-FQEVSTJZSA-N 412.436 4.676 0 40 HJAB O=C(NCC[C@H]1CCCCN1C(=O)C1(c2ccccc2)CCCC1)c1ccccc1 257231240 GFXCREMBFSFNPU-HSZRJFAPSA-N 404.554 4.700 0 40 HJAB Cc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)c2c(C)noc2n1 257271625 MZCCCGCOMBPHCN-LJQANCHMSA-N 420.444 4.535 0 40 HJAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1c1nc2ccccc2o1 390829062 CONGLJXIRUOSQB-WMZOPIPTSA-N 401.576 4.709 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC=C[C@@H](C)[C@H]2C1=O 408671784 LEKPZBHZKPDGRU-BSLALVQMSA-N 416.521 4.765 0 40 HJAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(-c2ccc(Cl)cc2)[nH]n1 408713274 RDYGUTQXHKCAHR-UHFFFAOYSA-N 405.907 4.663 0 40 HJAB COc1ccc(CCCc2nnc(SCC(=O)Nc3c(C)cccc3C)o2)cc1 409019943 YGVQBJZAOBHIQO-UHFFFAOYSA-N 411.527 4.601 0 40 HJAB O=C(NCc1ccco1)[C@@H]1CCCN1Cc1ccc(Oc2ccccc2F)c(F)c1 605573472 RHWDMUPRPJOBCT-FQEVSTJZSA-N 412.436 4.631 0 40 HJAB O=C(Nc1ccc(Oc2ccc(F)c(Br)c2)cc1)[C@H]1C[C@H]2CC[C@H]1O2 1531360979 KMCAYAINBUBCSY-QIIPPGSGSA-N 406.251 4.887 0 40 HJAB c1ccc(N2CCCC2)c(CN2CCOC[C@H](Cc3cccc4cnccc34)C2)c1 1848355921 UDDJJAYBYUFNLE-OAQYLSRUSA-N 401.554 4.526 0 40 HJAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)C2CCCC2)s1 1366015 SXJMYWUDWUURQV-QGZVFWFLSA-N 416.509 4.880 0 40 HJAB Oc1ccc(Oc2ccccc2)cc1[C@](O)(c1nc2ccccc2[nH]1)C(F)(F)F 1424841 OSGQWUSUIXUIHY-FQEVSTJZSA-N 400.356 4.859 0 40 HJAB CN(C)CCOc1c(Br)cc(Br)cc1Cc1ccccc1 1734051 KADIZPZKWNGEAF-UHFFFAOYSA-N 413.153 4.743 0 40 HJAB CCc1ccc2oc(-c3ccc(OC)c(OC)c3)cc(=N[C@H](C(=O)O)C(C)C)c2c1 1792418 PJXWAOOGGCFXNT-QHCPKHFHSA-N 409.482 4.689 0 40 HJAB Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)s1 2703610 NDBISLBWPPVECX-IBGZPJMESA-N 417.490 4.826 0 40 HJAB O=C(Nc1ccc(SC(F)F)cc1)C1(S(=O)(=O)c2ccccc2)CCCC1 3195163 OVVWIRZXTPGLDT-UHFFFAOYSA-N 411.495 4.727 0 40 HJAB O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1ccc(OC(F)(F)F)cc1 3330264 CULICQFBUYXWCG-UHFFFAOYSA-N 408.159 4.688 0 40 HJAB CC(=O)N(c1ccccc1)c1nc(CSc2nnc3[nH]c4ccccc4n23)cs1 3356813 NVRXYSMOYQZGCK-UHFFFAOYSA-N 420.523 4.644 0 40 HJAB C[C@H](NC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1 3364999 VQRLQPIJUHRWMH-QMMMGPOBSA-N 422.095 4.729 0 40 HJAB CCCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(Cl)c1 4062283 FAFSPPSWZFYTLL-UHFFFAOYSA-N 416.959 4.848 0 40 HJAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2Br)CSC3)cc1 4175960 SANSHDCCVIWTBT-UHFFFAOYSA-N 414.328 4.942 0 40 HJAB CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3ccccc3F)cc2oc1=O 5111318 KFVIIUWRYNMGSU-UHFFFAOYSA-N 418.848 4.969 0 40 HJAB COc1ccc(O[C@@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 5165610 XXHWHDBUOZXEDE-OAHLLOKOSA-N 409.096 4.854 0 40 HJAB COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2ccccc2C)cc1O 5577137 PNEDDPWCURXBMP-UHFFFAOYSA-N 413.477 4.994 0 40 HJAB biogenic COc1ccccc1/C=C(/C(=O)OCC(=O)N(C)C1CCCCC1)c1ccccc1 6049286 QMGNOJROGNTHHM-OQKWZONESA-N 407.510 4.570 0 40 HJAB CCCN1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O 6629585 LKILWCHYCCXWKY-DEDYPNTBSA-N 419.506 4.726 0 40 HJAB CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O 6656664 QWODYWWBOOQQHY-XDHOZWIPSA-N 401.459 4.860 0 40 HJAB O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2ccc(F)cc2)N1CCc1ccccc1 6752873 CXLWOEKFLWICEC-DEOSSOPVSA-N 413.452 4.709 0 40 HJAB COc1ccc(-c2c(NC(=O)C3CCCCC3)oc3ccccc3c2=O)cc1OC 6814097 ZUUBLKQBZWCDQO-UHFFFAOYSA-N 407.466 4.996 0 40 HJAB Cc1cccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C(C)C)c1 6819942 BGARUFGSFBOACW-UHFFFAOYSA-N 407.495 4.763 0 40 HJAB Cn1c(SCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1ccccc1F 7087635 AYKIXCGAUAZVTE-UHFFFAOYSA-N 401.854 4.617 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)N1CCC[C@@H]2CCCC[C@@H]21 7327709 YMEIZOFDHMIKFK-KXBFYZLASA-N 414.550 4.692 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)c(C)c1 7928080 QJMKYXQPXSEOJD-INIZCTEOSA-N 415.331 4.674 0 40 HJAB COc1ccc(Cc2nnc3sc(C(C)(C)Oc4ccc(Cl)cc4)nn23)cc1 8392989 BRAOHQMWWGDIRA-UHFFFAOYSA-N 414.918 4.753 0 40 HJAB O=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@@H]1c1nc2ccccc2s1 8745396 RHUFJKUJPUYOTL-QGZVFWFLSA-N 404.495 4.643 0 40 HJAB COc1ccccc1[C@@H](CNC(=O)c1oc2cc(C)c(Cl)cc2c1C)N(C)C 9206441 WGJOOBHPEIXHSB-GOSISDBHSA-N 400.906 4.744 0 40 HJAB Cc1c(C)n(-c2ccccc2Br)c2ncn3nc(-c4ccncc4)nc3c12 9421865 YPJYGEGKFCJYKN-UHFFFAOYSA-N 419.286 4.510 0 40 HJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 9665581 FYFCQGXVMBDZGO-UHFFFAOYSA-N 414.962 4.972 0 40 HJAB C[C@@H]1Oc2ccc(NC(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)cc2NC1=O 9866123 BCUCKSAWGLOVKT-INIZCTEOSA-N 424.460 4.511 0 40 HJAB CCCOc1cc(Nc2ccc(NC(=O)Nc3ccccc3OC)cc2)nc(C)n1 12225995 BJXSETZVNLQLSJ-UHFFFAOYSA-N 407.474 4.970 0 40 HJAB CCOc1cc2c(cc1NC(=O)COc1ccc(Oc3ccccn3)cc1)O[C@H](C)C2 12521797 HPVAIXGZOMGKQI-MRXNPFEDSA-N 420.465 4.614 0 40 HJAB CCc1ccc(NC(=O)CSC2=N[C@@H](C(F)(F)F)C[C@H](c3ccccc3)N2)cc1 12848173 PQUAZNYYMOYQGO-QZTJIDSGSA-N 421.488 4.942 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)cc1 12887382 ZSXUTGFHDCTZHB-SSGOSMAHSA-N 401.890 4.743 0 40 HJAB COc1ccc([C@@H](CNC(=O)c2oc3c(Cl)cccc3c2C)N2CCCC2)cc1 12912123 WYVLMOUKDSTUQV-HXUWFJFHSA-N 412.917 4.970 0 40 HJAB CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)[C@H](c2ccc(F)cc2)n2ncnc2N1 13997596 LVNJZTCQCWHYQS-KRWDZBQOSA-N 418.259 4.652 0 40 HJAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)CN5C(=O)c6ccccc6C5=O)(C4)C2)C3)cc1 15724472 HFZNBHHPWSMFOZ-WANOEJIPSA-N 413.517 4.698 0 40 HJAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 16428029 OIGGDHVREQYGHF-RNWGTBAESA-N 414.288 4.884 0 40 HJAB C[C@@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)Nc1c(F)cccc1F 16711167 CZLICYXXFCTQRX-ZCFIWIBFSA-N 409.603 4.504 0 40 HJAB CCn1c(-c2c(C)oc3ccccc23)cs/c1=N/S(=O)(=O)c1cccs1 16754881 HOSDICWMGHHNOR-VHEBQXMUSA-N 404.538 4.642 0 40 HJAB O=C(c1cccnc1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373248 BBIXGEDBDZYDCM-JOCHJYFZSA-N 422.492 4.655 0 40 HJAB COc1ccccc1CN1CCC(c2cc(C(F)(F)F)c3c(C)noc3n2)CC1 19565071 PBSLZSKWUZCCRF-UHFFFAOYSA-N 405.420 4.938 0 40 HJAB COc1ccc(Cc2nnc(SCc3cccc(Br)c3)o2)cc1OC 19929187 FJEXCBCCBDGNMX-UHFFFAOYSA-N 421.316 4.732 0 40 HJAB Cc1ccc(C)c(CSc2nccn(-c3ccc(Br)cc3)c2=O)c1 22796409 UJCKOOOBLJVSIF-UHFFFAOYSA-N 401.329 4.904 0 40 HJAB Cc1cc(C)c(NC(=O)CN2CCN(Cc3csc4ccccc34)CC2)c(C)c1 22932755 BBIYLHKOSJVAAG-UHFFFAOYSA-N 407.583 4.583 0 40 HJAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(C)c(O)c(C)c2)c(OC)c1 24080151 AWKFTNRCPHMZTO-QHCPKHFHSA-N 404.466 4.797 0 40 HJAB Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c1C 26089605 CMOUOHZIYFNQKV-UHFFFAOYSA-N 421.547 4.795 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)NC3CCCC3)n2-c2ccccc2C)cc1 27752900 UYUOHFDCBXRZQT-UHFFFAOYSA-N 406.555 4.702 0 40 HJAB COc1ccccc1CN(Cc1cccs1)C(=O)c1nc(SC)ncc1Cl 30476457 MXLZLESGQJFXCR-UHFFFAOYSA-N 419.959 4.765 0 40 HJAB CCN(CC)C(=O)[C@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1 32739725 RRGNBUJYAQRQCI-HSZRJFAPSA-N 417.557 4.693 0 40 HJAB CCc1cc2oc(=O)cc(COC(=O)CCOc3ccccc3OC)c2cc1Cl 32910335 VZLIRCMWVAMCQP-UHFFFAOYSA-N 416.857 4.530 0 40 HJAB CC1(C)CC(=O)c2sc(NC(=O)Cc3csc(-c4ccsc4)n3)nc2C1 32913553 SXEXQIUMQMUDPF-UHFFFAOYSA-N 403.554 4.664 0 40 HJAB CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccccc1F 33650925 NJGFPWRTHMXVML-UHFFFAOYSA-N 420.307 4.842 0 40 HJAB COc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 34889922 RXJFVNFUYAGXGC-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB CCOc1cc(CN[C@@H](C)C(C)(C)C)ccc1OCC(=O)N[C@H](C)c1ccccc1 36612639 SBADCTQNEPPYJN-MOPGFXCFSA-N 412.574 4.866 0 40 HJAB COc1ccc(NCc2cc(Br)cc(Br)c2OC)cc1 37216145 MAMOVTYPBPHBAG-UHFFFAOYSA-N 401.098 4.841 0 40 HJAB Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 38854613 UHBFWKZIYFGEJD-UHFFFAOYSA-N 416.525 4.555 0 40 HJAB Cc1nc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)ccc2o1 40079755 CUPMHIDVXGINON-KRWDZBQOSA-N 418.280 4.686 0 40 HJAB Cc1cc(CN(CCCn2ccnc2)Cc2ccccc2F)c(C)n1-c1cccnc1 43277845 ZFEFYYQQYULAFE-UHFFFAOYSA-N 417.532 4.917 0 40 HJAB CC(C)n1ncc2cc(C(=O)N(Cc3cccc(Br)c3)C3CC3)cnc21 45197242 KHVRYEKNCXDNGZ-UHFFFAOYSA-N 413.319 4.580 0 40 HJAB Cn1c([C@H](NC(=O)CCc2c[nH]c3ccccc23)c2ccccc2)nc2ccccc21 48344063 YHKOQBIXJRTHJT-RUZDIDTESA-N 408.505 4.893 0 40 HJAB Cc1ccc(-n2nc(C)cc2NC(=O)CN[C@@H](c2ccccc2)c2cccs2)cc1 57392029 WTRALMWWKPECQT-DEOSSOPVSA-N 416.550 4.868 0 40 HJAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 58160194 CEFOJDPDABTMED-LJQANCHMSA-N 416.456 4.686 0 40 HJAB Cc1ccc(-c2nnc(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)o2)cc1F 65185428 GLPSRIVYDWFDLI-UHFFFAOYSA-N 404.323 4.844 0 40 HJAB CC(=O)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)c1 71415934 GJLCFAOELMNTBA-UHFFFAOYSA-N 411.323 4.728 0 40 HJAB COC(C)(C)C(=O)N1CCC[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 72374157 KYPCSTVUHSDAOC-SFHVURJKSA-N 420.475 4.822 0 40 HJAB CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc3ccccc3n2Cc2ccc(F)cc2)C1 79440690 NINQREMEVZPFTI-GOSISDBHSA-N 411.477 4.612 0 40 HJAB COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)C[C@@H]3CCOc4ccccc43)n2)c1 83973754 BAQPDALSLIAGOY-JTSKRJEESA-N 417.509 4.705 0 40 HJAB Clc1ccc(Br)c2ccc(N3CCO[C@H](c4nccs4)C3)nc12 95462959 ZLKJWYWCEJQHSG-ZDUSSCGKSA-N 410.724 4.685 0 40 HJAB CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1OC)C1=C(O)CC(C)(C)CC1=N2 102678868 CQACMIIUMRREHR-SFHVURJKSA-N 414.531 4.715 0 40 HJAB CCOC(=O)c1ccc(N2C(=O)/C(=C/Nc3ccccc3)c3ccccc3C2=O)cc1 103005258 FHDQWVTWHZDZSS-CJLVFECKSA-N 412.445 4.503 0 40 HJAB Cn1ccnc1SC[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918336 RNFUORZCJMHGLE-OZZKZOCUSA-N 416.631 4.567 0 40 HJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 222983061 BIOWIDHXWLHJPV-NHCUHLMSSA-N 421.522 4.812 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCC3=CCCCC3)ccc2C)c1 223949637 PTLRUQATFQZDLJ-UHFFFAOYSA-N 412.555 4.643 0 40 HJAB Cc1ccc(CN(C(=O)COc2cccc(C)c2)[C@H](C)C(=O)NC2CCCCC2)cc1 224756563 UOYZXGWVDAZWJZ-OAQYLSRUSA-N 422.569 4.548 0 40 HJAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 225085803 RXWPTJBZQUIIBJ-WPGBELRESA-N 420.534 4.713 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 225608216 RZIKDQFAUIROHJ-AVRDEDQJSA-N 414.977 4.913 0 40 HJAB Cc1ccc(NC(=S)NCc2nc(-c3cccc(Br)c3)no2)cc1C 225825007 MRWSCXGEMFSYLP-UHFFFAOYSA-N 417.332 4.603 0 40 HJAB COc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCCC4)on3)C2)c1 257255606 KIDYRXDOTZEQGB-LJQANCHMSA-N 411.546 4.515 0 40 HJAB Cc1cccc(C2=N/C(=C/c3ccccc3OC(=O)/C=C/c3ccccc3)C(=O)O2)c1 408840647 ZRPDFTKUUHOEEU-MJNKKUJBSA-N 409.441 4.958 0 40 HJAB CC(C)(C)NC(=S)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408975966 DEHHBAULVDHXGT-UHFFFAOYSA-N 414.538 4.839 0 40 HJAB O=C(c1ccc(Br)cc1)c1c(-c2ccccc2)nnn1Cc1ccccc1 409089508 JJOJIOMELIVAPH-UHFFFAOYSA-N 418.294 4.987 0 40 HJAB Cc1[nH]c(C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c(C)c1C(=O)OC(C)C 505482700 BDWYWECCXBCEGV-HOCLYGCPSA-N 408.420 4.501 0 40 HJAB Cc1ccc(Cl)cc1Oc1ccccc1CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1 1153706997 FMFWFAJBYDIKNX-INIZCTEOSA-N 409.917 4.927 0 40 HJAB CCCCN(C(=O)c1cc2c(C(F)F)nn(C)c2s1)[C@@H]1CCc2ncsc2C1 1586635972 DWBTUHBVFWRARN-LLVKDONJSA-N 424.542 4.829 0 40 HJAB COc1cc(CN(C)c2nn3cc(C4CCCC4)nc3s2)c(SC)cc1OC 1639516184 GAMFYLXIQDXRNE-UHFFFAOYSA-N 418.588 4.824 0 40 HJAB CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@H](C(C)C)OC3 1243984 ORLKWTHIYPOXIW-INIZCTEOSA-N 400.569 4.716 0 40 HJAB O=C(c1ccccc1)[C@@H](c1ccccc1)[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21 1624261 VWMXTTTURNAMRN-VGOFRKELSA-N 412.272 4.800 0 40 HJAB CCCOc1ccc(/C=C/C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1OC 1744761 CFWKBMGEYXMYEX-PKNBQFBNSA-N 417.527 4.991 0 40 HJAB COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)ccc1O 2203819 YQITXDDUZAGSSZ-CDNPAEQRSA-N 401.934 4.923 0 40 HJAB biogenic,in-vitro FC(F)(F)C1(C(F)(F)F)N=C(c2cccc(Cl)c2)OC(N2CCCCC2)=N1 2275240 BRNQTDLTCUDGLW-UHFFFAOYSA-N 413.749 4.780 0 40 HJAB COC(=O)c1ccc(COC(=O)c2ccccc2OCc2ccccc2Cl)o1 2635265 DYIBDXRJAOYXMC-UHFFFAOYSA-N 400.814 4.656 0 40 HJAB COc1cc(C)c(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1OC 2646494 AIIQKEGTJUNLLH-NRFANRHFSA-N 418.493 4.512 0 40 HJAB O=C(Nc1ccc(Cl)cn1)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2742668 JVGORWOCYSOXSV-UHFFFAOYSA-N 400.715 4.716 0 40 HJAB CN(C)[C@H](Cc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)C(=O)c1ccccc1 3282632 DVTRUXYSKRGOTE-RDGATRHJSA-N 405.469 4.789 0 40 HJAB COc1ccc(NC(=O)[C@H](Nc2ccc3c(c2)OCO3)c2ccccc2)cc1Cl 3354498 YRWRXVKWBMBPIO-OAQYLSRUSA-N 410.857 4.869 0 40 HJAB COc1cc(-c2nnc(SCCCC(=O)c3ccccc3)o2)cc(OC)c1OC 3363896 DFPUHNPRQWIMGV-UHFFFAOYSA-N 414.483 4.518 0 40 HJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H](C(=O)O)[C@@H]([C@@]3(C)CCCC[C@H]3C(=O)O)CC[C@@]21C 3850283 BWPVHESSENIYDR-HSODBVFOSA-N 422.562 4.912 0 40 HJAB Cc1ccc(OCCSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)cc1 4500385 RAOBZLLFXRHIKC-INIZCTEOSA-N 400.523 4.509 0 40 HJAB Cc1ccnc(NC(=O)c2cccc(NC(=O)COc3cccc4ccccc34)c2)c1 4661201 YPBSJXNXQOWHBD-UHFFFAOYSA-N 411.461 4.813 0 40 HJAB Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3ccccc3)n2)cc1 4703238 VWYCMQOSJQLNCX-UHFFFAOYSA-N 411.509 4.808 0 40 HJAB CC(C)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)Cc2ccccc2)cc1 4732466 GJWVSHHWABDQHX-UHFFFAOYSA-N 411.509 4.959 0 40 HJAB Cc1ccc(S(=O)(=O)NCCCc2nc3cc4ccccc4cc3[nH]2)cc1Cl 4895282 VPIYLOMSBTVDDH-UHFFFAOYSA-N 413.930 4.589 0 40 HJAB CC(C)(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 6323373 ROALRVCCRRRKEU-WOJGMQOQSA-N 412.486 4.798 0 40 HJAB CCCCn1cc(S(=O)(=O)c2cc(C)ccc2C)c(=O)c2cc(F)c(F)cc21 6738919 MPMIDVGSVHBQQN-UHFFFAOYSA-N 405.466 4.529 0 40 HJAB CNc1c(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(=O)oc2ccccc12 6823175 DJVRUORQSUCXBH-UHFFFAOYSA-N 409.829 4.704 0 40 HJAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(Br)cc1 7921978 SZWBRZRYTIMVGQ-LBPRGKRZSA-N 404.333 4.690 0 40 HJAB Cc1ccc(-c2noc(-c3nnn(-c4ccc(Br)cc4F)c3C)n2)cc1 8673275 RAYOAYOGKQTWLE-UHFFFAOYSA-N 414.238 4.503 0 40 HJAB COc1ccc([C@@H]2CCCCCN2C(=O)CCc2c(C)nc(SC)nc2C)cc1 8776051 KYPNEHPLARHXON-NRFANRHFSA-N 413.587 4.900 0 40 HJAB O=C(CNc1ccccc1Br)N[C@@H](c1ccccc1)c1cccs1 10186172 UAIGWTGGAWMEME-IBGZPJMESA-N 401.329 4.828 0 40 HJAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4ccccc4c3)CC1)O2 12293617 PDVZPDYYEXQMRW-RPWUZVMVSA-N 403.522 4.532 0 40 HJAB CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC 12602300 DYAGJRVPZLOOIB-GOSISDBHSA-N 413.905 4.991 0 40 HJAB O=S1(=O)N(Cc2cccc(F)c2F)c2ccccc2N1Cc1cccc(F)c1F 13021004 FBWAYZGRJCAAHN-UHFFFAOYSA-N 422.403 4.515 0 40 HJAB Cc1cc(C)c(NC(=O)COC(=O)/C=C/c2cc(C)n(Cc3ccco3)c2C)c(C)c1 13038846 YDPDEKQRZWGMEJ-CMDGGOBGSA-N 420.509 4.867 0 40 HJAB CCn1c2ccccc2c2ccc(NC(=O)[C@@H](C)Sc3ncnc4nc[nH]c34)cc21 13571862 DYZMGEDJPUJQIP-CYBMUJFWSA-N 416.510 4.600 0 40 HJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 14792760 CATGHKFPKOIOHO-IAGOWNOFSA-N 406.457 4.723 0 40 HJAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1 15373172 CRKOSRLVDQRAJR-UHFFFAOYSA-N 423.310 4.940 0 40 HJAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1 15438805 KMPJXARLSCGPHL-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccccc1 17092030 ZHPNORLOOUDNQP-UHFFFAOYSA-N 419.912 4.555 0 40 HJAB O=C(CSc1ccc(Cl)cc1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 17093331 JQQITWREKYKDQZ-UHFFFAOYSA-N 422.893 4.871 0 40 HJAB O=C(/C=C\c1ccc(Cl)cc1)NCCCCNC(=O)/C=C\c1ccc(Cl)cc1 17421522 CGSDJGYNWMIMLE-PVRNWPCDSA-N 417.336 4.733 0 40 HJAB Cc1cccc(CC(=O)N2CCCC[C@@H]2c2nc(C)ncc2-c2onc(C)c2C)c1 19234740 MHFCDVCRZGAVMF-OAQYLSRUSA-N 404.514 4.662 0 40 HJAB CC(C)Oc1ccc(-c2csc(NC(=O)c3cc(C(F)(F)F)nn3C)n2)cc1 19450734 GYGKZVYHUFKKAW-UHFFFAOYSA-N 410.421 4.602 0 40 HJAB Cc1ccc(C(C)(C)CNC(=O)[C@]2(Cc3cc(-c4ccccc4)no3)CCCO2)cc1 19740081 YRMAPLCJHBCEFH-AREMUKBSSA-N 418.537 4.836 0 40 HJAB CCOc1ccc(CCNc2ncccc2C(=O)NC2CCCCC2)cc1OCC 22072928 AYYRWZYOELVLSA-UHFFFAOYSA-N 411.546 4.596 0 40 HJAB CCOc1ccc(CCNC(=O)c2occc2COc2ccccc2)cc1OCC 22138239 YFUWYKQIDZIKSM-UHFFFAOYSA-N 409.482 4.629 0 40 HJAB CCn1cc(C(=O)Nc2ccc(F)c(F)c2F)c(=O)c2cc(C(F)(F)F)ccc21 22237057 KDKCRUSNNSFAMM-UHFFFAOYSA-N 414.305 4.710 0 40 HJAB Cc1ccc(N2CCC[C@H](C(=O)N(C)Cc3nc(-c4ccc(Cl)cc4)no3)C2)cc1 22255873 XEMNBOQKHHZLJM-SFHVURJKSA-N 424.932 4.573 0 40 HJAB COc1cc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)c(OC)cc1Cl 23116624 HISGNJDWFGQQNM-UHFFFAOYSA-N 406.866 4.801 0 40 HJAB C/C(=C\COc1ccc2ccc(=O)oc2c1)CC/C=C(\C)CC[C@H](O)C(C)(C)O 28107219 SOTUFGKJQVSOCT-DZMBJMNISA-N 400.515 4.757 0 40 HJAB biogenic,in-vitro Cn1cc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c(-c3cnn(C)c3)c2Cl)cn1 36611561 RFTWKQJKFLYEPQ-UHFFFAOYSA-N 421.719 4.693 0 40 HJAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 40059703 BPZOLOJDWNYSJT-IBGZPJMESA-N 423.516 4.827 0 40 HJAB CC[C@@H](C)c1ccc(NC(=O)COc2ccc(I)cc2)cc1 40159235 WYQNGPRQFGKBSB-CYBMUJFWSA-N 409.267 4.822 0 40 HJAB O=C(NCc1ccc(F)cc1Cl)c1cc(-c2ccc(Br)cc2)[nH]n1 40478432 YDTBINSATSLJCS-UHFFFAOYSA-N 408.658 4.562 0 40 HJAB Cc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)cn(Cc3ccccc3Cl)c2n1 46053822 ULPZKYJPHOGDIF-UHFFFAOYSA-N 406.844 4.777 0 40 HJAB CCc1cccc2c(C(=O)[C@@H](c3ccccc3)N3CCC(C(=O)OC)CC3)c[nH]c12 49560887 FPCXIQTYGUXJNB-HSZRJFAPSA-N 404.510 4.539 0 40 HJAB Cc1cccc(C)c1NC(=O)Cn1cc(-c2ccccc2)c2ncn(C(C)C)c(=O)c21 65113608 QITGCKGKWQUCEH-UHFFFAOYSA-N 414.509 4.701 0 40 HJAB COc1ccc([C@@H](C)NC(=O)c2sc(NC3CCCCC3)nc2C)cc1OC 71326708 HVGRYFHKLDCSKD-CYBMUJFWSA-N 403.548 4.704 0 40 HJAB O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(O)=N2)c1ccccc1-c1ccccc1 95478610 KUMOOELXKAERAQ-JOCHJYFZSA-N 411.461 4.812 0 40 HJAB Fc1ccc(-c2nc(CN[C@H](c3ccc(Cl)cc3)c3ncon3)cs2)cc1 95976701 RFWBMBLZJVSODX-QGZVFWFLSA-N 400.866 4.865 0 40 HJAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 100391257 MNJJMOWNOOCDRA-WZBLMQSHSA-N 414.288 4.884 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)O[C@@H]1CCCC[C@@H]21 103086414 MIDMTBZLZSFHQP-TUVUNVSASA-N 414.498 4.875 0 40 HJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3)ccc2C)c1 107756490 CGJBYUGOMCQDCL-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB Cc1ccc2nc(C)cc(OCC(=O)NCCc3ccc(C(F)(F)F)cc3)c2c1 141564555 SJOLDMSFEZUQAD-UHFFFAOYSA-N 402.416 4.608 0 40 HJAB O=C(c1ccccc1C(F)(F)F)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 219191291 PVYWSQCGELADNC-GOSISDBHSA-N 409.429 4.755 0 40 HJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 223078019 INYBZUKEHSDZBL-QHCPKHFHSA-N 408.542 4.891 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC2CCCC2)cc1 223421541 OFXOSYRMVQSUTP-UHFFFAOYSA-N 416.543 4.716 0 40 HJAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccccc1Cl)c1ccccc1 223472182 VLPWKGBQXXXQAV-HSZRJFAPSA-N 424.903 4.885 0 40 HJAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3OC)c2)c(OC)c1 224243058 HBZWKOZGSNIDNY-UHFFFAOYSA-N 423.465 4.552 0 40 HJAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 224621513 JDFPCLISZFWCKM-DHIUTWEWSA-N 412.518 4.755 0 40 HJAB O=C(O)[C@@H](Cc1ccc(I)cc1)Oc1cccc2ccccc12 225068998 MFWZQBXPGLYWCU-GOSISDBHSA-N 418.230 4.519 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 225572991 RTAWFQHPZIMBHM-GCJKJVERSA-N 414.977 4.913 0 40 HJAB O=C(CCc1nc(-c2ccccc2Cl)no1)N1CCC(Cc2ccccc2)CC1 225811267 KZRMFGIMRLDBJU-UHFFFAOYSA-N 409.917 4.804 0 40 HJAB CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N[C@@H]3Cc2ccccc2)on1 257323002 WIJGVBUUZZFTRR-MAAHOPOVSA-N 407.558 4.545 0 40 HJAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 408584829 VQMWYOQGKKLEDK-UHFFFAOYSA-N 421.950 4.857 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(OC)c3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409366129 YXESSMWWTOFKLA-KKVAFCGZSA-N 412.452 4.610 0 40 HJAB O=C(c1ccc(-c2ccccc2OC(F)(F)F)o1)N1C[C@@H](CO)Cc2ccccc21 646533008 SSCAMBUTDUGMHM-AWEZNQCLSA-N 417.383 4.657 0 40 HJAB O=C(CC1(N2Cc3ccccc3C2=O)CCCCC1)NCCc1c[nH]c2ccccc12 1548348714 OSBPGYRPXMHSCH-UHFFFAOYSA-N 415.537 4.576 0 40 HJAB O=C(C1CCCCC1)N1CCC[C@H](c2cccc(-c3cnc4ccc(F)cn34)n2)C1 2037845579 CWQJIXLZAOCOKH-SFHVURJKSA-N 406.505 4.822 0 40 HJAB Cc1cccc(NC(=S)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@H]2CCCO2)c1 884906 WUXPVTDRBSFABC-OAQYLSRUSA-N 421.566 4.523 0 40 HJAB Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)c3ccc4c(c3)OCCO4)n12 929777 BIQPMAUPGJRHOW-UHFFFAOYSA-N 419.506 4.554 0 40 HJAB CC1(C)c2ccccc2N(CC(=O)NCc2ccccc2)[C@]12C=Cc1ccccc1O2 2181926 OCKQUZCRHPFRMO-MHZLTWQESA-N 410.517 4.903 0 40 HJAB O=C1Nc2ccc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)c3cccc1c23 2478386 HFOFELOFFLAHFN-UHFFFAOYSA-N 400.459 4.873 0 40 HJAB CCOc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 2479159 PQXVQPSXXHAYFM-UHFFFAOYSA-N 420.494 4.573 0 40 HJAB CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(F)cc2)s1 2704413 APVVTCUWIBNJPM-QGZVFWFLSA-N 421.453 4.657 0 40 HJAB COc1ccc(OC[C@H](O)CNCc2cccc(C(F)(F)F)c2)c(C(C)(C)C)c1 3372588 FOKJIWSSJAUINK-QGZVFWFLSA-N 411.464 4.541 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)o1)NC(c1ccccc1)c1ccccc1 3445614 YDSVPEHSSYGBNX-UHFFFAOYSA-N 419.481 4.874 0 40 HJAB O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4732058 SNOQAMCUTTVEOI-MRXNPFEDSA-N 406.482 4.969 0 40 HJAB C[C@@H](C(=O)N1CCCCCC1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 4747656 DGEQBRZNDBKFGR-MHECFPHRSA-N 415.537 4.515 0 40 HJAB Cc1ccc(NC(=O)Nc2nnc(SCC(=O)Nc3cccc(C)c3)s2)cc1 4851220 LTAJGMJKUVCBFO-UHFFFAOYSA-N 413.528 4.530 0 40 HJAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](/C(Br)=C/c2ccccc2)N3)C1 4947793 GIHBWWLOIRVEPK-ZVWDRZIWSA-N 403.345 4.790 0 40 HJAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 4981654 JUFWQTPOLGKAOF-XMMPIXPASA-N 411.505 4.722 0 40 HJAB COc1ccccc1Cn1cc2c(-c3ccccc3)nnc-2c2cc3c(cc21)OCO3 5028617 DGFVWZSHGDDPJL-UHFFFAOYSA-N 409.445 4.989 0 40 HJAB CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(F)c1)N(c1cc(C)on1)C3=O 5307877 GGYJVMYOHFPBIR-FQEVSTJZSA-N 404.397 4.541 0 40 HJAB Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccccc2F)no1 5322184 SSZHUXLAMFLHPV-HXUWFJFHSA-N 404.397 4.595 0 40 HJAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 5722799 XXHZPHFANOWTTA-OAHLLOKOSA-N 409.869 4.986 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CCCOc2ccc(Cl)cc2C)c(C)c1 6434211 ROQSDBZRQHDFGR-UHFFFAOYSA-N 416.949 4.830 0 40 HJAB Cc1nc(NC(=O)C23CC4CC(CC(C4)C2)C3)sc1Cc1ccc2c(c1)OCO2 6620084 JNEMQKWWHREXNR-UHFFFAOYSA-N 410.539 4.926 0 40 HJAB aggregator N#CCOc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 7342955 DAZQGPJFDUKONA-MOSHPQCFSA-N 401.447 4.836 0 40 HJAB Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)c(C)c1 8312185 XZRSZGAUQXZNBS-UHFFFAOYSA-N 404.495 4.573 0 40 HJAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2c3ccccc3CC[C@@H]2C)cc1 8366921 VDACUHHVVSUETC-KRWDZBQOSA-N 409.489 4.676 0 40 HJAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 8705804 AJMKATNMTSMDPP-UHFFFAOYSA-N 420.490 4.623 0 40 HJAB CCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CC)cc1OCC 8845836 QUPBNEBVQKKLBF-QHCPKHFHSA-N 421.497 4.535 0 40 HJAB Cc1nc(Cc2nnc(SCC(=O)N[C@H](C)c3ccc4ccccc4c3)o2)cs1 8862344 CIUWETORRQSJST-CYBMUJFWSA-N 424.551 4.548 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1 8959791 MGHQASPZYHTZKN-UHFFFAOYSA-N 410.514 4.745 0 40 HJAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc(NC(=O)c3cc(C)oc3C)n2)cc1 9865035 XSBZLVWBFMGIMG-ZDUSSCGKSA-N 411.527 4.729 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3C)o2)c1 10015483 VXHAMBYTSXDAFV-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(C[S@](C)=O)c1 10030249 FQVUVOIWDQUUQT-HHHXNRCGSA-N 401.915 4.751 0 40 HJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2Cl)c1 10112563 DRNUHQIIPAPXPU-HNNXBMFYSA-N 420.962 4.630 0 40 HJAB CCN(CC)C[C@H]1CCCN(Cc2c(-c3ccc(OC)cc3)[nH]c3ncccc23)C1 12144241 WPOZAEWIYCXDIT-LJQANCHMSA-N 406.574 4.792 0 40 HJAB Cc1cc(NC(=O)COc2ccc(Cl)cc2)n(-c2nc(-c3ccccc3)cs2)n1 12441734 NPEQZCBHEVWALJ-UHFFFAOYSA-N 424.913 4.975 0 40 HJAB O=C(Nc1ccccc1N1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1 12558168 YZLSCTYLZWHGPG-UHFFFAOYSA-N 424.504 4.628 0 40 HJAB CCc1nc2c(n1C(C)=O)SC(c1ccc(C3CCCCC3)cc1)=NN2C(C)=O 16777662 VEGDTBAEBKIANU-UHFFFAOYSA-N 410.543 4.974 0 40 HJAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)C(C)(C)C 17088340 VNVGNSAEYZEWIV-UHFFFAOYSA-N 409.559 4.711 0 40 HJAB Cc1ccc([C@@H](NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2cccnc2)cc1 19136604 YAOHJBWZVWQMDB-XMMPIXPASA-N 400.522 4.652 0 40 HJAB Cc1ccccc1CN(Cc1ccccc1OCC(=O)O)C1CC(C)(C)NC(C)(C)C1 19237141 KIVUNEOSUOEXKW-UHFFFAOYSA-N 424.585 4.770 0 40 HJAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2ccccc2Cl)C1 19591743 ILBLIFNHCVMFIW-VWLOTQADSA-N 419.956 4.583 0 40 HJAB Cc1nc(C2CCN(Cc3cccc(F)c3)CC2)ncc1C(=O)Nc1ccc(F)cc1 19763949 CIUUPNVNYHCQDI-UHFFFAOYSA-N 422.479 4.695 0 40 HJAB Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 21703754 VOYLAGURWIXXMI-HNNXBMFYSA-N 412.536 4.929 0 40 HJAB COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)c(C)c2)cc1 28534637 DYRFYQDHWWCVEX-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB Cc1nc(CSc2ccccc2C(=O)NCc2ccc(Cl)cc2Cl)no1 29572125 DEWAIGJWGODTED-UHFFFAOYSA-N 408.310 4.907 0 40 HJAB Cc1ccc(Oc2ccccc2NC(=O)C[C@H](NC(N)=O)c2ccccc2C)cc1 29978901 QYZWNUCNQXXBLC-NRFANRHFSA-N 403.482 4.834 0 40 HJAB c1cncc(-c2nnc3n2[C@H](CSc2nc(C4CC4)nc4ccccc24)CS3)c1 30572474 BAGVPPWRFNCLPX-OAHLLOKOSA-N 418.551 4.600 0 40 HJAB Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccc3c(C)cc(=O)oc3c2)o1 31680178 LBLCAUKTUCUBRM-UHFFFAOYSA-N 415.405 4.694 0 40 HJAB C[C@H](NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccc(F)cc1 32578760 MLIMFPDRUDCVHM-INIZCTEOSA-N 417.440 4.799 0 40 HJAB CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1[C@@H](C)Oc1ccccc1 32604408 FANCFQSXXDNPTE-GOSISDBHSA-N 424.570 4.972 0 40 HJAB COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1ccc(C)cc1 33013047 KWLMEHZKGJFERV-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB Cc1nc(COc2ccc(C(=O)NCCc3cccc4cccnc34)cc2)cs1 39548088 DRJCBLMQPKERLJ-UHFFFAOYSA-N 403.507 4.551 0 40 HJAB Cc1nn2c(nnc3c(=O)n([C@@H]4CCCC[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 40395988 KYNHBMIQHVQRSZ-CXAGYDPISA-N 407.905 4.819 0 40 HJAB CCCCCn1ccc2c(cnc3c(-c4ccc(Cl)cc4)c(COC)nn32)c1=O 40397742 JRFQYMUINSZHGX-UHFFFAOYSA-N 410.905 4.701 0 40 HJAB CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccccc2C)CC1 44851585 IWTCKLGMGRKPGM-UHFFFAOYSA-N 408.586 4.745 0 40 HJAB O=C(NCCC1=CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 44884439 LAZFWIJPBVZQSD-UHFFFAOYSA-N 418.946 4.761 0 40 HJAB Cc1ccc(NC(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)c(OCc2ccccc2)c1 48262473 QHNVENLOLZWYSE-FGZHOGPDSA-N 424.541 4.766 0 40 HJAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccc(-c3nccs3)cc2)C1 58441411 ONAKDXTVARBFRS-QGZVFWFLSA-N 406.511 4.693 0 40 HJAB CCc1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3CC)cc1 65315058 PFZCNFHQXNVUBK-UHFFFAOYSA-N 406.507 4.697 0 40 HJAB O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1ccc(Cl)cc1F 67299281 MNNPVPUAWFGRPG-DAFNUICNSA-N 412.804 4.686 0 40 HJAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 72352456 IYQXBHJSWMYSBF-GOSISDBHSA-N 401.535 4.799 0 40 HJAB O=C(c1cccc2cccnc12)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1 72375333 DYOIZGAMNLFDAM-GOSISDBHSA-N 401.495 4.807 0 40 HJAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc2[nH]c(=S)oc2c1 79111957 KMKZLJUGXDDACE-UHFFFAOYSA-N 401.394 4.995 0 40 HJAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2cccc(F)c2)C12CCCC2 96344630 MZUSRTBGJMLTSY-QHCPKHFHSA-N 422.544 4.837 0 40 HJAB COc1ccc(OC)c2[nH]c(C(=O)N3[C@H]4CC[C@H]3CC(c3ccc(F)cc3)C4)cc12 100166776 IEIMGBPNXQUSLP-ROUUACIJSA-N 408.473 4.875 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 222554063 KNCZRLYODGVXGF-OAQYLSRUSA-N 400.950 4.523 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 222672634 YDPGMBCQYAOOFG-LJQANCHMSA-N 424.585 4.695 0 40 HJAB COC(=O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 222856944 JAGKPDWHFLODPV-LEWJYISDSA-N 421.522 4.509 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 223254535 DCDWEVSVPAEFEY-HSZRJFAPSA-N 424.585 4.713 0 40 HJAB CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223354992 IIZWOIKSDXQUKE-VWLOTQADSA-N 400.522 4.525 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc(C)cc3)c2)cc1 223956793 ODZYCTQPALPAHV-SFHVURJKSA-N 408.523 4.595 0 40 HJAB Cc1cccc(CN(C(=O)CCSc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 224145653 NXHQTOOLMFKPCN-FQEVSTJZSA-N 412.599 4.667 0 40 HJAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 224244457 NJUYTNVHCDOEIX-KRWDZBQOSA-N 418.990 4.622 0 40 HJAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccc(C(C)(C)C)cc1 224519393 BXTCEBLPJBRICA-QFIPXVFZSA-N 411.542 4.871 0 40 HJAB CCOC1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCC(C)CC1 225720405 MRTGBXOUENEFRR-IYZJKTGWSA-N 416.606 4.967 0 40 HJAB O=C(COc1cccc(C(F)(F)F)c1)NCCSCc1ccc(Cl)cc1 225809928 VBNIQMMAIOLOMX-UHFFFAOYSA-N 403.853 4.787 0 40 HJAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@]2(CC1)CN(c1cccc(Cl)c1)C(=O)O2 257331024 XRBMHZJHRMKWSA-DEOSSOPVSA-N 424.928 4.850 0 40 HJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)NC12CC3CC(CC(C3)C1)C2 408575441 UZUHBBQEMYEASE-VQHVLOKHSA-N 406.551 4.919 0 40 HJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C 408612441 YJIXGDDGDRBHAT-UHFFFAOYSA-N 407.706 4.714 0 40 HJAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c1 408705781 NIBMKPSPWUHHNH-UHFFFAOYSA-N 402.560 4.612 0 40 HJAB Cc1c(Cl)ccc(NC(=O)[C@H]2CSCN2C(=O)OCc2ccccc2)c1C 408737920 PZALHBTWVVOYRS-GOSISDBHSA-N 404.919 4.607 0 40 HJAB O=C(COc1ccc(C(=S)N2CCCCC2)cc1)Nc1ccccc1C(F)(F)F 409227210 UJOXMZYJEVBVEZ-UHFFFAOYSA-N 422.472 4.884 0 40 HJAB Cc1ccnc(-c2ccc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)cc2)n1 604256126 JJRBTIYBORXEFV-UHFFFAOYSA-N 423.398 4.909 0 40 HJAB Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N3CCc4ccc(F)cc4[C@@H](C)C3)C2)c1 1144291192 INVAIAXFVUFAEA-AZUAARDMSA-N 423.532 4.566 0 40 HJAB COc1cccc(C(=O)Nc2ccc(I)cc2C(F)(F)F)c1 624104 XKTMKPZJTOLFCL-UHFFFAOYSA-N 421.156 4.571 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1C[C@H](C)CC2 659358 HLVHGXYAZQTIOX-SECBINFHSA-N 412.305 4.657 0 40 HJAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Br)o1 873639 ICMLWLNSTRQHFV-GFCCVEGCSA-N 418.316 4.927 0 40 HJAB Cc1cccc(C(=O)N2CCc3cc(-c4nc(NC(=O)C5CC5)sc4C)ccc32)c1 1238250 LPILWKBTNPFKDO-UHFFFAOYSA-N 417.534 4.978 0 40 HJAB O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 1305358 UYJWMQSESPXRRO-NVXWUHKLSA-N 420.366 4.640 0 40 HJAB CCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc12 2095104 GNMYJEJIIMYQDP-IBGZPJMESA-N 417.502 4.509 0 40 HJAB biogenic Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc12 2148905 PYEQMYCQGYXPJN-UHFFFAOYSA-N 411.763 4.791 0 40 HJAB biogenic Cc1cc(C)c2oc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc(=O)c2c1 2237174 QMCHHAOLVUFBLF-UHFFFAOYSA-N 423.519 4.806 0 40 HJAB CN(C)C(=O)COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 2632192 FTKMLKWYWQIKBM-UHFFFAOYSA-N 410.473 4.814 0 40 HJAB CC(C)(C)c1ccc(S(=O)(=O)c2cc3cc(Br)ccc3oc2=O)cc1 2686643 OJZRUQQFBUQHBI-UHFFFAOYSA-N 421.312 4.686 0 40 HJAB Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 3219180 UDOOBWSBFFWDRJ-UHFFFAOYSA-N 400.066 4.797 0 40 HJAB COc1ccccc1C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1C 3222433 ARWOOEZHOGOBCX-UHFFFAOYSA-N 416.506 4.621 0 40 HJAB COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1-c1ccccc1 3492618 MVFXEQQDOLNKJS-UHFFFAOYSA-N 416.502 4.889 0 40 HJAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccc(F)cc3)N2C1=O 3636831 KWUNAFNQJOCBHJ-AZUAARDMSA-N 424.497 4.608 0 40 HJAB COc1ccc([C@@H]2c3cccn3CCN2C(=S)Nc2cccc(C)c2C)cc1OC 4059491 BXQKJBRRINDTRE-HSZRJFAPSA-N 421.566 4.924 0 40 HJAB CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2C)cc1 4518130 VEUUGSGKDYJCTJ-UHFFFAOYSA-N 419.529 4.950 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)cc2OC)cc1 4590833 WCAAZHVKQLECMC-WIOPSUGQSA-N 416.477 4.955 0 40 HJAB CCC1=NN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@](O)(c2ccc(OC)cc2)C1 4832548 ILNDAXOCHMJJIU-VWLOTQADSA-N 400.478 4.819 0 40 HJAB CCN(C(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O)c1ccccc1 5305479 MPWUTFRRBJHNCD-UHFFFAOYSA-N 417.896 4.765 0 40 HJAB O=C(CN1CCCCC1)Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(F)cc1 5451672 GELMYCQEHHTEHE-UHFFFAOYSA-N 414.864 4.677 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccc(Cl)c1 5891901 RHTPNTBIHVBGSE-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB CCOc1c(Cl)cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1Cl 6155252 YNJXQVQWGUFTAE-UHFFFAOYSA-N 409.382 4.885 0 40 HJAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1 6235007 VMFDPJQRTDFSHS-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCC(=O)Nc1ccccc1 6960891 OZELWQNWILEZBM-UHFFFAOYSA-N 412.555 4.510 0 40 HJAB COc1cc2c(cc1OC)CN([C@H](C)C(=O)Nc1ccccc1-c1ccccc1)CC2 7418445 JEJWTGLIXKBRMN-GOSISDBHSA-N 416.521 4.756 0 40 HJAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7928399 RMGKGRJPGZJLTN-SNVBAGLBSA-N 413.688 4.647 0 40 HJAB O=c1c(Cl)c(N2CCC[C@@H]2c2nc3ccccc3s2)cnn1-c1ccccc1 8063176 SAWDDHODFVCTRP-MRXNPFEDSA-N 408.914 4.837 0 40 HJAB COc1c(Br)cc(Br)cc1CNCc1ccc(F)cc1 8469524 LMMNHWQJGAVDNL-UHFFFAOYSA-N 403.089 4.649 0 40 HJAB O=C(CCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 8847987 YPZDGBROLMMQIV-LJQANCHMSA-N 413.901 4.828 0 40 HJAB CSCc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 11451873 IIZSLGLFFSKXCP-UHFFFAOYSA-N 409.536 4.810 0 40 HJAB CCOc1cc(Nc2ccc(NC(=O)Nc3ccccc3OCC)cc2)nc(C)n1 11613274 SGANGZZAKJVKPJ-UHFFFAOYSA-N 407.474 4.970 0 40 HJAB COc1ccccc1-c1ccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ccccn2)cc1 12089081 SDJJTVJNJWBLPG-APBVPVKBSA-N 414.549 4.877 0 40 HJAB O=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)NCCc1cccs1 12322938 JKCUTDVAPOALPT-UHFFFAOYSA-N 412.458 4.672 0 40 HJAB CN(C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F)c1ccccc1 12527002 FTDSSRVLWFLYCH-UHFFFAOYSA-N 414.309 4.582 0 40 HJAB CCCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(C)cn2)n1 12527729 NCUBGLQGPQWXER-OAHLLOKOSA-N 421.526 4.668 0 40 HJAB Cc1cc(N2CCCC2)ccc1NC(=O)COc1cccc(Oc2ccccn2)c1 12769200 CYYXQKBZPIMAIO-UHFFFAOYSA-N 403.482 4.800 0 40 HJAB CCOc1ccc(CN(C)[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1 12780846 OBUIMZKEMYIYMS-AWEZNQCLSA-N 409.511 4.836 0 40 HJAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 14008112 LTGJYHPTRRGTMH-SFHVURJKSA-N 424.522 4.510 0 40 HJAB Cc1ccccc1Cn1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)ccc1=O 15882981 DSQATRTZYDXMNR-UHFFFAOYSA-N 404.363 4.615 0 40 HJAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CC3CCCC3)CC1)N2 19084129 JMDRUGLXJNKDMQ-ZWKOTPCHSA-N 422.564 4.990 0 40 HJAB CC(C)C(=O)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19085523 YREROIHMQNIPGF-IBGZPJMESA-N 401.514 4.644 0 40 HJAB Cc1ccc(C(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4c(O)n3)C2)cc1 19135204 IMWXUULTVZIPCT-HNNXBMFYSA-N 415.415 4.682 0 40 HJAB Cn1nc2c(c1C(=O)Nc1ncc(Cc3cccc(C(F)(F)F)c3)s1)CCCC2 19288676 QSYLPELDFZBWFN-UHFFFAOYSA-N 420.460 4.617 0 40 HJAB CCCc1ncc(-c2ccncc2C)c([C@@H]2CCCN2C(=O)c2sc(C)nc2C)n1 19525662 BDNOOUPHVQNSEG-IBGZPJMESA-N 421.570 4.850 0 40 HJAB Cc1nn2c(nnc3c(=O)n(-c4cccc(Cl)c4)ccc32)c1-c1cccc(Cl)c1 19962776 BBNMJIFYDHNCIQ-UHFFFAOYSA-N 422.275 4.711 0 40 HJAB CC(C)N1CCc2nc3sc(C(=O)Nc4cccc(Cl)c4)c(N)c3cc2C1 20289855 HKTYAYOOHVXYQZ-UHFFFAOYSA-N 400.935 4.551 0 40 HJAB COc1ccc(C(C)=O)cc1CC(=O)N[C@H](c1ccccc1)c1ccc(C)c(C)c1 25030037 KXRUKTMSNUEYTI-AREMUKBSSA-N 401.506 4.963 0 40 HJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 25144422 UARVJLRWIFPMFV-TZMCWYRMSA-N 401.816 4.560 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccccc2C)cc1C(=O)N1CCCCCC1 26119572 YSVVXLJKPANZBU-UHFFFAOYSA-N 418.584 4.534 0 40 HJAB Cc1cc(C)c2sc(N(CC(C)C)C(=O)CCCn3c(C)csc3=O)nc2c1 26367525 ZILQKGXRHXSNDX-UHFFFAOYSA-N 417.600 4.914 0 40 HJAB Cc1cc(OCC(=O)NC[C@H](c2cccs2)N2CCCCCC2)ccc1Cl 27662507 YNGKRUSIGGLHCB-LJQANCHMSA-N 406.979 4.822 0 40 HJAB Cc1nn(Cc2ccc(C(=O)Nc3ccc4c(c3)CCC4)o2)c(C)c1Br 27980641 DJRFLCZTOYGXTR-UHFFFAOYSA-N 414.303 4.645 0 40 HJAB CC(C)c1ccc(OCC(=O)NCc2ccc(-c3nc4cnccc4o3)cc2)cc1 32088780 QJLHAOZQDCOBCR-UHFFFAOYSA-N 401.466 4.708 0 40 HJAB O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(=O)Nc2ccccc2)CC1 32841766 DDTRKROFBKOIJP-UHFFFAOYSA-N 413.521 4.585 0 40 HJAB COc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3cccc(C)c3)c2)no1 33327366 LAZYJLKONYIUBS-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)cc1O 36357578 JPXRPKUKCHDEDB-CQSZACIVSA-N 403.360 4.729 0 40 HJAB CCOc1ccc([C@@H](NC(=O)c2ccc(-c3nc(C)no3)cc2)C(C)C)cc1OCC 40051029 DCUNQLUUNVFQQN-QFIPXVFZSA-N 423.513 4.970 0 40 HJAB COCc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@H](C)[C@H]4C)ccc32)c1-c1ccccc1 40396434 ZJSVXTXKCIZWFG-CSODHUTKSA-N 416.525 4.855 0 40 HJAB Cc1ccc(-c2noc(C3CCN(CC(=O)Nc4cccc(Cl)c4)CC3)n2)cc1 49403296 MVLICHKHIYPCNA-UHFFFAOYSA-N 410.905 4.517 0 40 HJAB O=C(NC1(c2nc(-c3ccncc3)no2)CCCCC1)c1ccc(C(F)(F)F)cc1 65257889 VKLHEAZHEYDVDR-UHFFFAOYSA-N 416.403 4.740 0 40 HJAB Fc1ccc(-c2cc3c(N4CCN(c5ccccc5Cl)CC4)nccn3n2)cc1 67285012 ATZJFFJXEHKUKQ-UHFFFAOYSA-N 407.880 4.515 0 40 HJAB CCCCn1c2nc(S)nnc2c2cc(Br)cc(Br)c21 96319326 JFEAVBFHDGUDMC-UHFFFAOYSA-N 416.142 4.593 0 40 HJAB CC(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 97105697 XJEXGSOYTVUNLK-IBGZPJMESA-N 407.857 4.623 0 40 HJAB CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]2ON1c1ccccc1 102736791 ZWVOJGSNYJKDCJ-JBJBFBLISA-N 406.526 4.890 0 40 HJAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCCc5ccccc5OC)(C4)C2)C3)cc1 103136341 QMSAWVDGAMDNCW-KDGKYOGISA-N 419.565 4.901 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 222410872 IANBYTKTNQMOSX-NRFANRHFSA-N 400.950 4.523 0 40 HJAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)N[C@@H](C)CC)cc1 222612460 IBZKKKWGNYFFSV-OFVILXPXSA-N 422.613 4.946 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1 223779855 BNSSYJCZMNNUNQ-QGZVFWFLSA-N 418.990 4.517 0 40 HJAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 223866592 CIRAOLPLHZKJOG-GOTSBHOMSA-N 412.518 4.755 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H](C)CCc2ccccc2)c1 223943368 XUZABWRDSJYQAO-LJQANCHMSA-N 422.550 4.547 0 40 HJAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 223982705 TWEOTEFTOPBFRH-FGZHOGPDSA-N 419.554 4.600 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 224225943 RZCDQQVUNQXMMG-FQEVSTJZSA-N 418.990 4.684 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C 224702494 GWTXMGKVRJTVGJ-FQEVSTJZSA-N 424.585 4.615 0 40 HJAB CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Br)cc1 224736471 BYXWOZUMHIKAAY-UHFFFAOYSA-N 408.239 4.683 0 40 HJAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccco3)o2)c(OC)c1 224930743 HNWKUDFRZPAZLP-UHFFFAOYSA-N 404.422 4.549 0 40 HJAB COC(=O)c1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)sc2c1CCCC2 224985803 WFAITMCPKOWWNA-UHFFFAOYSA-N 407.919 4.863 0 40 HJAB Cc1ccccc1CN(C(=O)CSc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)C 225477445 FBIMIAQDDNAJMI-KRWDZBQOSA-N 418.990 4.682 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 225511889 JMTLZVSKVSOLJV-ZJSXRUAMSA-N 424.585 4.713 0 40 HJAB C[C@H](CN1CCC[C@@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1 248137586 AMPDDSIZYOYEQN-UZKOGDIHSA-N 420.582 4.525 0 40 HJAB C[C@H](SCc1ccccc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408563292 LDSBAYAMVIWOLV-INIZCTEOSA-N 408.489 4.676 0 40 HJAB CCOC(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)Nc2ccccc2)c1C 409053709 HGRCXUCTCYHWHL-UHFFFAOYSA-N 408.479 4.738 0 40 HJAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1 409335428 ZYEIWJWXUCLZNV-CQSZACIVSA-N 400.935 4.735 0 40 HJAB Cc1cc(NC(=O)c2cccc(Br)c2)ccc1I 705676 WMMSZINSCQQIAK-UHFFFAOYSA-N 416.056 4.614 0 40 HJAB Cc1ccc(NCc2nnc(SCC(=O)Nc3cccc4ccccc34)n2C)cc1 862134 UKUAROAJUNRALX-UHFFFAOYSA-N 417.538 4.620 0 40 HJAB CCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1 888767 JFOPCMLQDWPJEY-UHFFFAOYSA-N 404.517 4.684 0 40 HJAB CSc1ccccc1NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 916801 NZJAHVJAUAQCAC-HNNXBMFYSA-N 412.458 4.869 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)n2ncnc2N1 956232 WPSURDHVCHCYCE-QGZVFWFLSA-N 400.269 4.513 0 40 HJAB COC(=O)c1ccc(-n2ccc(=O)c(Cc3c(Cl)cccc3Cl)c2C)cc1 1398279 QHZJDCNCEDLKBL-UHFFFAOYSA-N 402.277 4.830 0 40 HJAB CCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(OCC)cc4)nc3c2)cc1 2052059 LQEFYKGDVCRJDG-UHFFFAOYSA-N 416.481 4.860 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1 2075807 IBTOSJSWABFMLO-RXVVDRJESA-N 412.530 4.741 0 40 HJAB CCCCOC(=O)c1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1 2125079 ARHSEOMLHDIOES-UHFFFAOYSA-N 407.466 4.723 0 40 HJAB biogenic CCCCc1cc(=O)oc2c(C)c(OC(=O)CCCNC(=O)OC(C)(C)C)ccc12 2150581 CHTKZGXRHYYHNL-UHFFFAOYSA-N 417.502 4.654 0 40 HJAB biogenic CCCCOC(=O)c1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1 2364150 BHSNXADIZNFBGM-UHFFFAOYSA-N 401.470 4.824 0 40 HJAB O=C(c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCCCCC1 2364162 JODRCOJKCZQUEU-WCQYABFASA-N 416.831 4.806 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1CC 2452722 BEMJKIBQZWRNNL-UHFFFAOYSA-N 416.934 4.748 0 40 HJAB C[C@H]1CCc2nc3ccccc3c(C(=O)O[C@H](C)C(=O)NCCC3=CCCCC3)c2C1 2644100 IBSSVQCDZZOUOA-ZWKOTPCHSA-N 420.553 4.912 0 40 HJAB CCOc1cc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)ccc1OC(F)F 2796691 OVXWRGWHSMCARY-UHFFFAOYSA-N 416.453 4.885 0 40 HJAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1ccc(C(=O)O)cc1 3342476 GMSGDTOFAVSQFR-UHFFFAOYSA-N 421.503 4.787 0 40 HJAB Cc1c(O[C@H](C)C(=O)OCc2ccccc2Cl)ccc2c3c(c(=O)oc12)CCC3 4056251 CYWCUTCSKVOYDG-CQSZACIVSA-N 412.869 4.754 0 40 HJAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 4083735 FOMDFGUQTIWHEP-VBBMSDFBSA-N 410.396 4.528 0 40 HJAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1 4296104 YLGJXMOBLCCNBQ-AWEZNQCLSA-N 413.540 4.820 0 40 HJAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccc2cccnc12)C(=O)CCC3 4735774 HGMDILCLYCYOBF-UHFFFAOYSA-N 406.463 4.609 0 40 HJAB COc1ccccc1[C@H]1C[C@@H](c2ccc(C)cc2)N(C(=O)CC(C)C)c2ncnn21 4816945 LOGXBOWJCANTQK-LEWJYISDSA-N 404.514 4.709 0 40 HJAB COc1ccc2c(COc3ccc(C(=O)c4ccc(F)cc4)cc3)cc(=O)oc2c1 4846778 GWMFPYFFTFRAFW-UHFFFAOYSA-N 404.393 4.751 0 40 HJAB CC(C)c1ccc(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1 6359029 KUTABVBASCJMIF-NRFANRHFSA-N 412.530 4.859 0 40 HJAB Cc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccc(C)c(C)c4)c3C)ns2)cc1C 6914603 HTSMFNXMVJHGDE-UHFFFAOYSA-N 418.526 4.580 0 40 HJAB C[C@@H](NC[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(F)cc1 7064416 PAZCSZIUYOMGPJ-MWTRTKDXSA-N 415.455 4.922 0 40 HJAB COc1ccc(C(C)=O)cc1CC(=O)N(C1=N[C@@H](C)CS1)c1ccc(Cl)cc1 7735285 SULDJKYXXPNPLE-ZDUSSCGKSA-N 416.930 4.618 0 40 HJAB CCc1ccccc1N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O 7881953 LRGNRNZPBMLORB-CYBMUJFWSA-N 410.823 4.913 0 40 HJAB CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 7921718 OONFLJARMUMZKP-QPPBQGQZSA-N 408.542 4.595 0 40 HJAB Cc1cccc(N(Cc2ccccc2)C(=O)CNc2ccccc2N2CCCC2=O)c1 8160147 XRMMMDLILSLKMY-UHFFFAOYSA-N 413.521 4.767 0 40 HJAB COc1cccc(NC(=O)N(Cc2cc(C)cc(C)c2)c2nnc3n2CCCCC3)c1 8549025 JMXIUCYCJFNDPH-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB Cc1nc(N2CCN(c3ccccc3)CC2)nc(O)c1Cc1cccc2ccccc12 8578526 LIAPIDDASOKJJV-UHFFFAOYSA-N 410.521 4.561 0 40 HJAB CC(C)n1cnnc1SCC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 8728129 HAGWTPSHSOAUQZ-UHFFFAOYSA-N 413.572 4.592 0 40 HJAB O=C(NC[C@@H]1CN(c2cccc(Cl)c2)C(=O)O1)Nc1ccc(C(F)(F)F)cc1 8839593 AYEIUZLHKVZMJU-OAHLLOKOSA-N 413.783 4.506 0 40 HJAB CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2OC)cc1OCCC 9195053 JQKLZICASSTCGU-UHFFFAOYSA-N 411.458 4.575 0 40 HJAB Cc1nc(Cc2nnc(SCC(=O)N[C@H](C)c3cccc4ccccc34)o2)cs1 9515173 KAKLAMZLARONPW-CYBMUJFWSA-N 424.551 4.548 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2Cl)cc1 10112099 PIQPPZOHOCUINM-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB O=C1C[C@H](c2ccc(F)cc2)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 12429149 ZWFZANOZPLGGOS-OAHLLOKOSA-N 421.902 4.848 0 40 HJAB Cc1ccc([C@H](NCC(=O)Nc2cc(C)nn2-c2ccccc2)c2cccs2)cc1 12816326 UWPKPSZNCAVZBI-DEOSSOPVSA-N 416.550 4.868 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCCSc3ccccc32)CC1 12848397 NCBYWQVWDCLARQ-UHFFFAOYSA-N 414.958 4.721 0 40 HJAB CC[C@H](CNC(=O)[C@H](C)Sc1nnc(-c2ccc(C)cc2)n1C)c1ccccc1 12908029 UDXVNEPBGYLFEI-ZWKOTPCHSA-N 408.571 4.581 0 40 HJAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(COc2ccccc2)cc1 13009121 XDRBZXIJIUFPCP-HSZRJFAPSA-N 404.510 4.816 0 40 HJAB COc1ccc(CN(C)Cn2nc(-c3ccc(Cl)cc3)oc2=S)cc1OC 13071435 KDGNZQHRMQMJSO-UHFFFAOYSA-N 405.907 4.633 0 40 HJAB CCCCCn1nc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c2ccccc2c1=O 14067692 AWKBGMPFACZGOU-UHFFFAOYSA-N 407.489 4.531 0 40 HJAB COc1ccc2nc(NC(=O)c3c[nH]c4ccc(Br)cc34)sc2c1 15518619 YEVMZRPQGMVSQM-UHFFFAOYSA-N 402.273 4.801 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccs4)cc3O)oc2c1 17088275 UEXIJOQUWWNUQF-UHFFFAOYSA-N 409.492 4.697 0 40 HJAB CCOc1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 17307646 NTILGJHDGVDBFR-UHFFFAOYSA-N 414.505 4.860 0 40 HJAB CCC(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19498831 UTUOQKBGPDNJKK-HXUWFJFHSA-N 405.477 4.885 0 40 HJAB Cc1cc(Cc2ccc(F)cc2)cc(C2CCN(C(=O)Cc3csc(C)n3)CC2)n1 19691843 UXMKIHHZKMFACO-UHFFFAOYSA-N 423.557 4.834 0 40 HJAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnc2c(-c3ccc(F)cc3)cnn12 19817143 KGEHXUQTRZJPCM-UHFFFAOYSA-N 415.350 4.510 0 40 HJAB O=C([C@H]1CCCC[C@@H]1c1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 24363062 BSYVLPMHZUTQQB-PMACEKPBSA-N 405.567 4.919 0 40 HJAB Cc1c(Cl)cccc1Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1 24506288 NCTWLGJDDFCXIB-UHFFFAOYSA-N 415.931 4.544 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 24606141 SCXYLXKCKQKQCM-UHFFFAOYSA-N 406.463 4.794 0 40 HJAB CCc1ccc(-c2noc(CCC(=O)NCc3ccc(-c4csc(C)n4)o3)n2)cc1 25148025 PREMZAAMDPICHE-UHFFFAOYSA-N 422.510 4.573 0 40 HJAB C[C@@H]1CC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)N=C1c1ccc(Cl)cc1 25389267 VVMSUYUJTKTDNA-GFCCVEGCSA-N 423.822 4.570 0 40 HJAB CC(C)CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1 25495115 RKDNUSDENNDSIC-CQSZACIVSA-N 418.335 4.873 0 40 HJAB CCOc1ccc(CCC2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1 26053026 RRZHOAUFMIIXCF-UHFFFAOYSA-N 405.494 4.677 0 40 HJAB O=C(N[C@@H](CC(=O)N(Cc1ccccc1F)C1CC1)c1ccccc1)c1ccccc1 27251125 PEVJHEIPKFCHNN-DEOSSOPVSA-N 416.496 4.878 0 40 HJAB CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1[C@H](C)Oc1ccccc1 32604409 FANCFQSXXDNPTE-SFHVURJKSA-N 424.570 4.972 0 40 HJAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccccc3-n3cncn3)cccc2c1=O 32765268 VXYYUSHEWPVCLC-UHFFFAOYSA-N 422.444 4.601 0 40 HJAB COc1ccc(NC(=O)CCCOc2ccccc2)cc1NC(=O)c1cccc(F)c1 32931487 PVEHGDDSHRQREM-UHFFFAOYSA-N 422.456 4.884 0 40 HJAB O=C(c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1)N1CCc2ccccc21 38501162 WTUHBSBBCOVVHA-UHFFFAOYSA-N 413.452 4.793 0 40 HJAB Cc1ccc(SCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 39760843 AMZRWLCGENBDMR-UHFFFAOYSA-N 402.991 4.769 0 40 HJAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(C)[C@H](c3ccccc3)c3ccccn3)c12 42700283 HCUCRHOGDHYQNV-HSZRJFAPSA-N 413.525 4.657 0 40 HJAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4F)nccn3n2)cc1 67290394 NTYNZVOPURYARB-UHFFFAOYSA-N 422.485 4.665 0 40 HJAB Cc1c(C(=O)N2CCC[C@H]2c2ccccc2)cnn1-c1ccc(Br)cc1 69918916 POYCDILQQVRJSX-FQEVSTJZSA-N 410.315 4.921 0 40 HJAB O=S(=O)(Nc1cc(F)ccc1F)c1ccc(Br)c(C(F)(F)F)c1 98072921 BXOJDDXJGVLQLW-UHFFFAOYSA-N 416.165 4.547 0 40 HJAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)Nc1nc(-c3ccc(F)cc3)cs1)[C@H]2C(=O)O 100616326 IVSADFKIURGWBT-ZZCKCESHSA-N 400.475 4.581 0 40 HJAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)o1 102725935 SSXKPJCXHIZOQD-PXNSSMCTSA-N 410.271 4.988 0 40 HJAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSCc1c(F)cccc1Cl 216251637 HVHIJCWSTJSWAZ-IBGZPJMESA-N 411.926 4.695 0 40 HJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 222934674 IWCPPCUDLDMEOP-VQTJNVASSA-N 411.962 4.549 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 223864517 FQGRFIDNSZRSFR-MRXNPFEDSA-N 421.368 4.706 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(C)c(C)c1 223928892 YDYHWFWJNMPFQD-QHCPKHFHSA-N 422.550 4.985 0 40 HJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)c1 224230730 ZIQKSRZINQKGRX-AJSBUHFISA-N 418.566 4.548 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccc(C)cc1 224469023 AKQCUBOZJVVNMS-UHFFFAOYSA-N 405.450 4.954 0 40 HJAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)c1 224527124 CDVHYSYZXGMLIU-SFTDATJTSA-N 406.555 4.824 0 40 HJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccccc1CN1CCCC1 224800917 BWWPBIKCPAWRJD-QFIPXVFZSA-N 400.950 4.718 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 225000897 KUWCEMJNUNNTFQ-WOJBJXKFSA-N 412.599 4.642 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 225224545 NIZXOYZSKIVNIR-JOCHJYFZSA-N 414.977 4.833 0 40 HJAB Cc1ccc(CSCCNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 225294331 BLZCUHATUGTFSH-UHFFFAOYSA-N 413.612 4.650 0 40 HJAB COc1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)cn1 225347286 DGGMOSROCIHGKT-UHFFFAOYSA-N 402.372 4.617 0 40 HJAB CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 257270141 MSXYKCKYWVLBFZ-RXVVDRJESA-N 424.610 4.747 0 40 HJAB Cc1ccc(Oc2ccccc2C(=O)N(CCc2cccc(F)c2)CC(=O)O)cc1 257273685 NHSAENWKKZBNNN-UHFFFAOYSA-N 407.441 4.696 0 40 HJAB Cc1ccc2nsnc2c1NC(=S)NC(=O)/C=C/c1ccc(-c2ccccc2)o1 408576979 ZFZGNYKYCRKTAO-FMIVXFBMSA-N 420.519 4.786 0 40 HJAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)c1 408627589 MBBZDGZCYKXWFC-UHFFFAOYSA-N 402.825 4.884 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408671144 KABJQUAJMTVBJC-MOXQZVSFSA-N 416.521 4.599 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)c1 408736776 HPXIAAYKSBRGQJ-QFIPXVFZSA-N 407.514 4.717 0 40 HJAB CCOC(=O)N[C@H](CC(=O)Nc1ccc(Br)c(C)c1)c1ccccc1 408981946 WPCSBKVFJCJGSB-QGZVFWFLSA-N 405.292 4.574 0 40 HJAB CCOc1c(Br)cc(/C=C2\C(=O)N(CC)c3ccccc32)cc1OC 409112739 CKLFNBMNZZAWJZ-GDNBJRDFSA-N 402.288 4.764 0 40 HJAB CCN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O 409236148 DMLBIXGTSCJVOY-VCHYOVAHSA-N 414.292 4.909 0 40 HJAB COc1cc(-c2oc3cc4c(cc3c2-c2cc3c(cc2O)OCO3)OCO4)ccc1O 604404017 IGXBRFNSSJPPCY-UHFFFAOYSA-N 420.373 4.644 0 40 HJAB biogenic COc1cccc(C(=O)N2CCCCCCN(C3CCOCC3)Cc3ccccc32)c1 643563063 JNFKYMCPRILFPD-UHFFFAOYSA-N 422.569 4.897 0 40 HJAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCC(C)C)c(Cl)c3N2)cc1 867054 WCPYRTAOJUYXQH-KBPBESRZSA-N 414.859 4.891 0 40 HJAB CCOC(=O)c1nnc(-c2cccc(C(F)(F)F)c2)nc1Sc1ccccc1 1392054 RILCRUVEQJZIKK-UHFFFAOYSA-N 405.401 4.885 0 40 HJAB CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccccc1 2129204 IAPQJTWDFSUNMC-ODZNUADLSA-N 405.538 4.993 0 40 HJAB biogenic COC[C@@H](C)n1c(S[C@@H](C)C(=O)c2cccc(Cl)c2)nc2ccccc2c1=O 2665001 QRFPELOWMLTXQO-KGLIPLIRSA-N 416.930 4.621 0 40 HJAB CCN(CC)c1ccc2cc(C(=O)Nc3cc(Cl)ccc3OC)c(=O)oc2c1 2951572 YKWBLRMQFMFWQW-UHFFFAOYSA-N 400.862 4.554 0 40 HJAB COc1ccccc1OCCn1c(NC(=O)c2ccc(F)cc2)nc2ccccc21 4386073 HQCRJFCEZFVQPI-UHFFFAOYSA-N 405.429 4.515 0 40 HJAB C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1ON(c1ccccc1)[C@@H]2c1ccccc1 4908916 JRYISFBJRDAFHH-PQNGQFLHSA-N 418.880 4.781 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](Oc1ccc(-c2nnco2)cc1)c1ccccc1 5195587 CCAKXMOEAQDHGS-JOCHJYFZSA-N 415.449 4.812 0 40 HJAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 5392634 XGDWSOPFBYDJKJ-UHFFFAOYSA-N 402.299 4.751 0 40 HJAB C[C@@H]1C(c2ccccc2Cl)=NO[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1 5394097 NKWFDUAHKZBBCA-QRQCRPRQSA-N 405.885 4.704 0 40 HJAB Cc1ccc(Cl)c(NC(=O)CSc2nnc(-c3ccccc3)n2C)c1Cl 6140444 XQHAZHJTKMKATB-UHFFFAOYSA-N 407.326 4.828 0 40 HJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc2ccccc2c1 6441659 WNPWDAGLJHHCFO-UHFFFAOYSA-N 416.433 4.711 0 40 HJAB CSc1ccc(CN(C)C(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 6627171 TTZSQKGBVDEWFL-UHFFFAOYSA-N 405.519 4.677 0 40 HJAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2cccc(Cl)c2Cl)c1 7717478 HRIPNLZUCXNNJR-KRWDZBQOSA-N 409.313 4.786 0 40 HJAB Cc1ccccc1N1O[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]1c1cccs1 8741695 QZCDVQBDBIBHHP-VAMGGRTRSA-N 424.909 4.761 0 40 HJAB COc1ccc([C@@H]2CCCCCN2CC(=O)N(C)Cc2nc3ccccc3s2)cc1 8938985 SQJIBBJCSZLYLT-NRFANRHFSA-N 423.582 4.881 0 40 HJAB O=C(c1ccco1)N1CCc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2C1 9036355 AMMYWOCBAJJRLD-UHFFFAOYSA-N 404.510 4.633 0 40 HJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(c1nnc(C)s1)C3=O 9215862 CZTFWTCUIZVOJJ-KRWDZBQOSA-N 423.881 4.665 0 40 HJAB C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)N1CCCc2ccccc21 9254465 WTDDZBFRRPGUSI-CQSZACIVSA-N 402.589 4.743 0 40 HJAB Cc1nc(CSc2ccccc2C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)cs1 11596184 CRHSEABAHJYKDM-KSSFIOAISA-N 418.584 4.596 0 40 HJAB CC[C@H](C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1F)c1ccccc1 11693535 KUMJEKRCLODNIX-KRWDZBQOSA-N 404.445 4.676 0 40 HJAB COc1cccc(-c2cn3c(C(=O)Nc4nc5ccccc5s4)csc3n2)c1 11902287 SCYNHMVXXABUAT-UHFFFAOYSA-N 406.492 4.933 0 40 HJAB COc1cccc([C@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)c2nccn2C)c1 12547430 BZKDFKRLYYUWMJ-VWLOTQADSA-N 411.505 4.544 0 40 HJAB c1cncc(-c2nc(N3CCC[C@@H]3c3ccc4c(c3)OCCO4)c3ccccc3n2)c1 12568096 UTKLRYXGIGJRRO-OAQYLSRUSA-N 410.477 4.805 0 40 HJAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccc3c(c2)OCCO3)o1 12862889 OKTZTWOLRQLUGG-UHFFFAOYSA-N 407.451 4.764 0 40 HJAB C[C@@H](C(=O)Nc1cccc(Br)c1)N(C)Cc1nc2ccccc2s1 12888414 KNMFLNVAULQXCS-LBPRGKRZSA-N 404.333 4.518 0 40 HJAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN(C2CCCCC2)C4)cc1OC 13690407 BXYHMTMCBNORSJ-UHFFFAOYSA-N 421.493 4.962 0 40 HJAB biogenic CCCCc1ccc(NC(=O)[C@@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 13713729 TZBIPPHYFGJURP-OAQYLSRUSA-N 402.560 4.521 0 40 HJAB Cc1nn2c(C)c(C(=O)Nc3ccc(C(F)(F)F)cc3)nnc2c1-c1ccccc1 14164710 FTAZPFLFAWABGW-UHFFFAOYSA-N 411.387 4.679 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cccc(F)c1 15438798 LBCIPRIHNUWSNO-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c1 17090073 UCRMPLCBQZEMAO-OAHLLOKOSA-N 414.571 4.632 0 40 HJAB Cn1nccc1CN1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 19690531 QBCZRLDVQCOEPW-UHFFFAOYSA-N 414.475 4.804 0 40 HJAB COc1ccc(CNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1OC 20452093 WLMGRGFADZEWHW-UHFFFAOYSA-N 416.521 4.587 0 40 HJAB CC(C)c1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 22273472 RIFZEXFAOVXXOO-UHFFFAOYSA-N 415.342 4.522 0 40 HJAB O=C1CN(C(=O)CCc2ccccc2)[C@@H](c2ccccc2)c2ccc(Cl)cc2N1 28048021 YBULPTOCTFRMLF-DEOSSOPVSA-N 404.897 4.843 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C)c3nc(C(C)(C)C)no3)n2C)cc1 31750073 LYMPMKOIVUBNLR-AWEZNQCLSA-N 414.579 4.862 0 40 HJAB CCN(Cc1ccc(Br)s1)C(=O)c1cc(Cl)c2c(c1)OCO2 32721781 VENYUOSZKXPKBW-UHFFFAOYSA-N 402.697 4.555 0 40 HJAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1C(=O)c1cc2c(s1)CCC2 33134176 RLGPCXJTNDHGIL-HNNXBMFYSA-N 409.338 4.787 0 40 HJAB O=C(NCCCc1ccccc1Cl)[C@@H]1CCCN(Cc2ccccc2Cl)C1 44906209 OYXNKJDAHDWVSZ-LJQANCHMSA-N 405.369 4.954 0 40 HJAB CCOc1cc(C(=O)OCc2ncc(Cl)n2C)cc(-c2ccccc2)c1OC 48303668 QKXPNYGFDGDXLP-UHFFFAOYSA-N 400.862 4.505 0 40 HJAB Cc1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2cccn3cnnc23)cc1 49404979 WPCXRPVKYJMMLZ-UHFFFAOYSA-N 420.538 4.557 0 40 HJAB O=C(O)/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)Sc1nc2ccccc2[nH]1 51125232 BVNMCQHUYAIESJ-WQRHYEAKSA-N 406.419 4.739 0 40 HJAB Cn1ccnc1-c1cnc(NCCc2ccc(F)cc2)nc1-c1ccc(Cl)cc1 57762001 XVIZCTDQRVVWGB-UHFFFAOYSA-N 407.880 4.991 0 40 HJAB Cc1cccc(Cc2cnc(NC(=O)N[C@H](c3nnc4ccccn34)C(C)C)s2)c1 72230644 RNUGOIGZRBTRLO-IBGZPJMESA-N 420.542 4.604 0 40 HJAB CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccccc2)n2nc(C)cc2N1 72332702 DTGHBSQGMFEQJE-FQEVSTJZSA-N 423.314 4.882 0 40 HJAB CC[C@@H](C)NC(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 101191867 MAUPZZZEAKRODF-WCABBAIRSA-N 406.861 4.787 0 40 HJAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)C1 101513908 UAENYAGEVSRORJ-QKMWGZLOSA-N 405.336 4.957 0 40 HJAB COc1ccc(CN2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1OCc1ccccc1 102957390 ZZVRTZNHXPQCIY-HVCNVCAESA-N 418.581 4.604 0 40 HJAB C[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 108859008 HZWNNSKPSQWJKP-LSTDLKDCSA-N 418.493 4.593 0 40 HJAB COc1ccc2ccc(OC)c([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2c1 222568679 XZQKKJAVHIIOCD-GAQQMNMRSA-N 405.523 4.841 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 223732271 RQTZJWYSLBXKDN-DEOSSOPVSA-N 424.585 4.878 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 223794371 FSJNDUMJDMDGSW-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 224241171 CXOYERISPZZGCR-XMMPIXPASA-N 406.570 4.712 0 40 HJAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC 224286078 SJXYKKHEUCAIQB-NRFANRHFSA-N 400.950 4.606 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C 224583387 RZCRQHWWPHSBQU-HSZRJFAPSA-N 424.585 4.570 0 40 HJAB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 224644972 ITOWSBMLSDIHPG-SFHVURJKSA-N 412.961 4.749 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCSCc2ccccc2)cc1Cl 225291129 UHDOCIMMAYEULM-UHFFFAOYSA-N 408.976 4.737 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C 225455344 VIJLCGXVFXOLJB-LEWJYISDSA-N 424.585 4.563 0 40 HJAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1Cl 225581373 LNAZKCNVDMREPK-UHFFFAOYSA-N 424.324 4.706 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCCSc2ccc(C)cc2)c(C)c1 225588346 LMDWDZNEILCLRH-UHFFFAOYSA-N 402.585 4.949 0 40 HJAB O=C1[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1c1ccccc1 239287386 CRLQJTSACHTAGF-VIJSPRBVSA-N 403.525 6.209 0 40 HJAB CCCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C2CC2)CC1 257245273 IOTOJKGDBHAAQU-UHFFFAOYSA-N 422.544 4.580 0 40 HJAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)COc3cccc(F)c3)o2)c1 257320724 VYGWBGKBDMVOTN-JOCHJYFZSA-N 424.472 4.546 0 40 HJAB Cc1ccccc1NC(=O)CSc1nnc(COc2cccc3ccccc23)n1C 408593519 AJMFPPJSVZZFJW-UHFFFAOYSA-N 418.522 4.587 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc3c(c2)CCCC3)o1 409007718 QYDGPLFPBAZLBD-UHFFFAOYSA-N 423.538 4.875 0 40 HJAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccccc1C 409327457 JYFCULBCNYQEFW-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB CCc1ccccc1NC(=O)CSc1nnc(COc2c(C)cccc2C)n1CC 409343586 HWUMPJGKJOBKAT-UHFFFAOYSA-N 424.570 4.787 0 40 HJAB O=C(C1CCCC1)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 643550500 INPJILMTLZVXSX-QGZVFWFLSA-N 408.933 4.946 0 40 HJAB C[C@@H]1Oc2c(cccc2-c2nc(C3(c4cccc(C(F)(F)F)c4)CC3)no2)NC1=O 685397750 AHTYKGRSXKKWMR-NSHDSACASA-N 415.371 4.555 0 40 HJAB O=C(NCc1ccc(F)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 646969 YGDSZUWISHOKMD-WMZOPIPTSA-N 418.394 4.613 0 40 HJAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1 783835 HMVBOETVWBRQAV-XMMPIXPASA-N 405.881 4.656 0 40 HJAB Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3nc4c(s3)CCCC4)n12 877123 AHZCNCRXAQYSFO-UHFFFAOYSA-N 423.567 4.565 0 40 HJAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 886940 LDVGFCPURCXGKP-UHFFFAOYSA-N 409.559 4.566 0 40 HJAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 1352801 KAOUNSXDWBDFRI-UHFFFAOYSA-N 405.429 4.803 0 40 HJAB C[C@@H](O)CNc1nc(SCc2ccccc2)nc2sc3c(c12)CC(C)(C)OC3 2233091 HRPMLBIJENTGDL-CYBMUJFWSA-N 415.584 4.628 0 40 HJAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4OC)sc3n2)cc1 2343930 XMKQUZNWVKPDOX-UHFFFAOYSA-N 405.479 4.815 0 40 HJAB Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2)c1 2368038 YCWFNJWDFHYSSW-HXUWFJFHSA-N 402.837 4.900 0 40 HJAB CCCCCOc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1 3198148 SMYFAPNDMFKUJQ-UHFFFAOYSA-N 405.907 4.653 0 40 HJAB C[C@@H](NC(=O)C(=Cc1cccs1)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 3250949 VONGLCNXHWJENU-QZTJIDSGSA-N 404.535 4.886 0 40 HJAB CCN(CC)CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccccc1 4231212 NSNFEZQXRLJYGR-UHFFFAOYSA-N 420.557 4.521 0 40 HJAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1ccccc1C 4852911 HSIQTZRYGDNSEA-LIRRHRJNSA-N 403.276 4.536 0 40 HJAB CC1CCC(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]2CCCC[C@@H]2C)CC1 4872289 OEXLCNXFRAGYBA-OCDLPFPYSA-N 423.601 4.716 0 40 HJAB COc1ccc(-c2csc3ncn(CC(=O)c4ccc(Cl)cc4)c(=O)c23)cc1 5010077 ARIYFSWTQFHBLT-UHFFFAOYSA-N 410.882 4.670 0 40 HJAB COc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(OC)cc3s2)cc1 5141961 GGERKDWCUDUBRJ-UHFFFAOYSA-N 405.479 4.556 0 40 HJAB O=C([C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1)N1CCCC1 5473795 NMKPIIIUZHTKEO-NRFANRHFSA-N 418.566 4.660 0 40 HJAB CCCCn1nc(NC(=O)c2ccc(OC)cc2)c2cc3cc(OC)ccc3nc21 5577027 RBMQCMDLHNIAEO-UHFFFAOYSA-N 404.470 4.654 0 40 HJAB CCc1cc2c(CSc3nnc(C)n3-c3ccccc3C)cc(=O)oc2cc1O 5619689 PZTWSISPHPCMQH-UHFFFAOYSA-N 407.495 4.551 0 40 HJAB Cc1oc2ccc(OS(=O)(=O)c3ccccc3)cc2c1C(=O)NC1CCCCC1 5881627 IEMZWRJMAUTXBB-UHFFFAOYSA-N 413.495 4.571 0 40 HJAB CCOc1ccc(-c2nc(CSc3nnc4n3CCCCC4)cs2)cc1OC 7007573 LSRPYKWATYHRBS-UHFFFAOYSA-N 416.572 4.828 0 40 HJAB C[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc2c(c1)CCCC2 8128126 XGZJNWFDVGGIJM-INIZCTEOSA-N 416.550 4.916 0 40 HJAB O=C(CSc1ccc(F)cc1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 8213096 QTOAKJQBQFZZLH-UHFFFAOYSA-N 415.511 4.984 0 40 HJAB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cn2ccccc2n1 8340953 PZJHOOWHXQXXNR-UHFFFAOYSA-N 421.522 4.646 0 40 HJAB Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H]1COc2ccccc2O1 8852264 CECYAOXBTSUXSB-INIZCTEOSA-N 408.310 4.927 0 40 HJAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCCN1C(=O)c1ccccc1 12085347 WKNZLVAZAYXNIU-QGZVFWFLSA-N 414.427 4.634 0 40 HJAB C[C@@H](CCN1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1)c1ccccc1 12220676 PXQNRAMLPFHLJR-HNNXBMFYSA-N 403.452 4.516 0 40 HJAB O=C(N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccccc2F)C1)c1ccccc1 12408205 JUNUIEZXUONSIU-PZJWPPBQSA-N 409.530 4.666 0 40 HJAB O=C(Nc1ccnn1Cc1ccccc1Cl)c1ccc(Br)cc1F 12800810 ZWHSWXXOJNEVRC-UHFFFAOYSA-N 408.658 4.739 0 40 HJAB Cc1ccc(C)c(Cn2c([C@@H](C)NC(=O)COc3ccccc3)nc3ccccc32)c1 13030947 HLNWKRIUUBDJMP-HXUWFJFHSA-N 413.521 4.958 0 40 HJAB S=c1oc(-c2cccnc2)nn1CN1CCc2sccc2[C@H]1c1cccs1 14182894 GBLIURWFNHTNIG-KRWDZBQOSA-N 412.565 4.996 0 40 HJAB Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)c(Cl)c1 14669261 VCKVGJCWHVVOOB-MRXNPFEDSA-N 420.962 4.772 0 40 HJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 16525029 NSPAQWRMMIEIJP-UHFFFAOYSA-N 405.285 4.505 0 40 HJAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccccc3Br)nc12 17092113 CJGAIEYSYBWYAB-UHFFFAOYSA-N 420.357 4.802 0 40 HJAB C[C@H]1CCN(C(=O)c2ccccc2I)c2ccccc2S1 17525250 SMXBMPRRTQJWED-LBPRGKRZSA-N 409.292 4.822 0 40 HJAB Cc1cc(-c2snnc2[C@H]2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)on1 19120766 JQFMAJPPJDUKPS-AWEZNQCLSA-N 408.449 4.900 0 40 HJAB Cc1cc(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccccn3)CC2)cs1 19571675 SSOKPAORTJBRDA-UHFFFAOYSA-N 419.554 4.503 0 40 HJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)O[C@H](C)C(=O)N1CCCCCC1 22000557 PFIABKRITNEBSA-CQSZACIVSA-N 406.935 4.720 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cn2c3c(cccc3c1=O)CCC2 22235306 GZDXMXHGIKOPMH-UHFFFAOYSA-N 406.791 4.872 0 40 HJAB Cc1cccc2c(=O)[nH]c(CSc3nc4c(n3-c3ccccc3)CCCC4)nc12 22280247 NFJFWBJZFDHHKS-UHFFFAOYSA-N 402.523 4.588 0 40 HJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCCCCOc1ccc(F)cc1 23133774 JHOXASCLIZZYJO-UHFFFAOYSA-N 400.425 4.528 0 40 HJAB Cc1nc(S[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)n(C2CCCCC2)c1C 24932864 XJPZHHPFLKLTLA-HNNXBMFYSA-N 413.543 4.700 0 40 HJAB O=C(c1ccc(CSc2ccccc2)o1)N1CCC[C@@H]1c1nnc2ccccn12 28499790 KBPLRFGZRYDAJZ-GOSISDBHSA-N 404.495 4.592 0 40 HJAB O=C(Nc1nn(Cc2ccccc2F)cc1Br)[C@H]1C[C@H]1c1ccccc1 28573827 MUONDZJKYJBIFF-HOTGVXAUSA-N 414.278 4.575 0 40 HJAB Cc1cccc2c1NC(=O)[C@@]21CC(O)=Nc2c1sc(C(=O)O)c2-c1ccccc1 32072703 ZSMGCNAQGVYISU-QFIPXVFZSA-N 404.447 4.652 0 40 HJAB CCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c2cccnc12 32622602 ZJDUCVUHVLRTIJ-UHFFFAOYSA-N 408.841 4.954 0 40 HJAB Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CCNCS(=O)(=O)c2ccc(F)cc2)C1(C)C 33434066 KYMABHKBLRJVOF-UGKGYDQZSA-N 414.546 4.766 0 40 HJAB O=C1COc2ccc(C(=O)CSc3nc(-c4ccc(Cl)cc4)cs3)cc2N1 35313312 SFJVLEPMUNJDAM-UHFFFAOYSA-N 416.911 4.769 0 40 HJAB CCN1CCc2nc3ccccc3c(C(=O)NCCCSc3ccccc3)c2C1 36393628 FDLHJFDKUVSYHK-UHFFFAOYSA-N 405.567 4.525 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3cc(C)ccc3OC)c3c(C)nn(C)c3n2)c1 36616802 SNBYTVSYMGLQOE-UHFFFAOYSA-N 416.481 4.522 0 40 HJAB C[C@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccc(Cl)cc1Cl 48332126 CWQUGBGSSPGYNX-ZDUSSCGKSA-N 406.313 4.999 0 40 HJAB CSCC[C@@H]1NC(=S)N(c2ccc(-c3ccccc3)c(C(F)(F)F)c2)C1=O 55180325 KQCBJAFVWSAQKV-INIZCTEOSA-N 410.486 4.715 0 40 HJAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 55720595 FOFBQRHWVKVULQ-UHFFFAOYSA-N 404.505 4.606 0 40 HJAB Cc1ccccc1NC(=O)CNc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 58079340 YHVDPLDVGMAGNW-UHFFFAOYSA-N 419.912 4.788 0 40 HJAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(C)c5)[C@@H](C)C4)[C@H]3C=C12 61999340 CMTQZHTYEISAFS-HNWBOLROSA-N 420.597 4.740 0 40 HJAB biogenic COCc1nc(C(=O)N2CC[C@@H](C)Sc3ccc(C(F)(F)F)cc32)cs1 65065595 SOMLVGPNYGGNKR-SNVBAGLBSA-N 402.463 4.839 0 40 HJAB Cc1ccccc1CSc1ncc2c(n1)-c1cc(Cl)ccc1N(C)S2(=O)=O 67260090 OGXQLDLGKZVMLO-UHFFFAOYSA-N 417.943 4.536 0 40 HJAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 69188396 KWQPWQNQJQFZAO-SGTLLEGYSA-N 411.304 4.764 0 40 HJAB CCOc1cc(C(=O)OC)cc(NC(=S)Nc2ccc(F)cc2C)c1OCC 71761176 ASPDOJBIVZDRAC-UHFFFAOYSA-N 406.479 4.527 0 40 HJAB COc1cccc(Cc2cccc(C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)c1 72348683 PLABMXKBTHJHHJ-UHFFFAOYSA-N 404.485 4.840 0 40 HJAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(-c2ccccc2)o1 79189138 IGHZMHVUJAATKT-DENIHFKCSA-N 402.402 4.509 0 40 HJAB biogenic COc1cccc(NC(=O)c2nc(-c3cn(Cc4ccccc4)cn3)n3ccccc23)c1 96155011 XVQJFQUQGFHYRN-UHFFFAOYSA-N 423.476 4.507 0 40 HJAB O=C(Nc1ccccc1Oc1ccccc1)N1CCC(CCCN2CCOCC2)CC1 97164614 NDQNOYVBDZQXBO-UHFFFAOYSA-N 423.557 4.835 0 40 HJAB CC(C)c1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 198069682 JIIAWOAUWKMZSV-UHFFFAOYSA-N 415.342 4.522 0 40 HJAB O=C(c1ccc2ncsc2c1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220676233 UWBOSCSLRMVLOX-AWEZNQCLSA-N 422.485 4.580 0 40 HJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1ccncc1 222908044 CVCNYHKNGDTGFK-PKTZIBPZSA-N 419.598 4.572 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1Cc1ccccn1 223551697 DYZFTPBDWVDEDX-PKTZIBPZSA-N 412.518 4.909 0 40 HJAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 224075145 UHCQNNHPSBPRFU-DEOSSOPVSA-N 408.586 4.612 0 40 HJAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1Cl 224160011 NFBGSJSNVXREAX-QGZVFWFLSA-N 400.950 4.689 0 40 HJAB O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 224553424 UHRTWHKNLHOOOG-UHFFFAOYSA-N 403.501 4.662 0 40 HJAB O=C(CSCc1cccc(Cl)c1)NCc1ccccc1CN1CCCCC1 224806698 QNZWIUXTQRANOB-UHFFFAOYSA-N 402.991 4.876 0 40 HJAB CCOc1ccc(C2(NC(=S)Nc3cccc(N4CCCC4=O)c3)CCCC2)cc1 225870498 ZDQQWRPEGCEYBA-UHFFFAOYSA-N 423.582 4.968 0 40 HJAB CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)n(C)n1 257285634 PIBJJPJIKJRARN-OAQYLSRUSA-N 424.520 4.704 0 40 HJAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@H](Cc2cn3ccnc3cn2)CC1 257300628 RVCWAVDZBCHXJE-OAQYLSRUSA-N 424.548 4.733 0 40 HJAB C[C@]1(O)CCN(C(=O)c2cc3cc(Cl)ccc3o2)C[C@@H]1Oc1ccc(Cl)cc1 257344450 ZXFVJNTWVAKYKR-FPOVZHCZSA-N 420.292 4.784 0 40 HJAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC(=O)c1ccc(Cl)cc1 408612229 XYRNYDJUXXFQIZ-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 408639820 GDRPNJNPACXYBW-NQIIRXRSSA-N 422.525 4.582 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408667245 PXFIBFUUOYQVRF-UHFFFAOYSA-N 423.296 4.593 0 40 HJAB COc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3C)n2)cc1 408693777 DKDSLZXJLLSVPA-UHFFFAOYSA-N 402.429 4.643 0 40 HJAB O=C1CCC[C@@H](c2cccc(NC(=O)c3cnc(-c4c(F)cccc4F)s3)c2)N1 1133634474 KBHKCYNPPWMTNZ-INIZCTEOSA-N 413.449 4.682 0 40 HJAB Cc1cc(C(=O)Nc2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)c2c(C)noc2n1 1530726520 HUSCHJLNCCITNU-UHFFFAOYSA-N 415.375 4.605 0 40 HJAB CCOc1ccc([C@H]2Oc3ccc(Br)cc3C=C2[N+](=O)[O-])cc1OCC 718286 MLTNUTWAVASJRD-LJQANCHMSA-N 420.259 4.998 0 40 HJAB COc1cc(OC)cc(-c2cc3nc4c(c(N5C[C@H](C)C[C@@H](C)C5)n3n2)CCCC4)c1 1341767 HWQXWFXEKBJJTA-IAGOWNOFSA-N 420.557 4.775 0 40 HJAB O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1)C1CC1 1355525 MYDVCROHUBMUCC-UHFFFAOYSA-N 407.470 4.501 0 40 HJAB CCN(CC)c1c(C)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 1567944 WCKJIPYDZFLIEI-UHFFFAOYSA-N 409.497 4.556 0 40 HJAB COc1ccc(C(=O)Nc2nc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cc1 2247195 XWAUUQHVWDJCDD-UHFFFAOYSA-N 421.460 4.719 0 40 HJAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1 2644135 GTMUNTUZTKMBSC-INIZCTEOSA-N 413.568 4.777 0 40 HJAB Brc1cccc(-c2nnn3c2nc(N2CCCCC2)c2ccccc23)c1 2713086 ZCOZPMZPBLYRRS-UHFFFAOYSA-N 408.303 4.697 0 40 HJAB CCN(C(=O)[C@H]1CCCN1C(=O)c1cccs1)c1nc2cc(Cl)ccc2s1 3344563 KXSKMKQRROCSGJ-CQSZACIVSA-N 419.959 4.669 0 40 HJAB C[C@@H](NC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1 3365001 VQRLQPIJUHRWMH-MRVPVSSYSA-N 422.095 4.729 0 40 HJAB CCOC(=O)/C=C1/Nc2ccccc2C(c2ccccc2)(c2ccccc2)N1C(C)=O 4182237 LTNWYGSHZBVZFC-MOHJPFBDSA-N 412.489 4.657 0 40 HJAB CCN1C(=O)S/C(=C/c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C1=O 4457169 BKYDHHUCKTVZIN-UDWIEESQSA-N 419.506 4.645 0 40 HJAB O=C1[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccccc1F 4656507 OYTYYCZEJMCWLT-YQORSWRPSA-N 403.840 4.573 0 40 HJAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCCc3ccccc3)c3ccccc32)c(C)c1 4784361 ZDJBSSDJMQUDBS-MHZLTWQESA-N 413.517 4.743 0 40 HJAB COCCCNC(=O)CSc1nc(-c2ccccc2)[nH]c1-c1ccc(Cl)cc1 4927885 YKYYHDUXFZDXKX-UHFFFAOYSA-N 415.946 4.642 0 40 HJAB COc1ccc(C(=O)[C@H](C)Sc2nnc(COc3ccc(Cl)cc3)o2)cc1 4987672 REVROAYLKDTHTO-LBPRGKRZSA-N 404.875 4.674 0 40 HJAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 5055091 SZKPUQWAOYWNHS-UHFFFAOYSA-N 413.886 4.685 0 40 HJAB COc1cccc(CNC(=O)CSc2nnc(-c3ccccc3)c3ccccc23)c1 5242728 UQKRLIUSZSUUQG-UHFFFAOYSA-N 415.518 4.714 0 40 HJAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCOCC2)cc1 6248696 JSCWFLLJNLBMND-UHFFFAOYSA-N 411.354 4.702 0 40 HJAB COc1ccc(-n2c(SCCc3ccccc3)nc3ccccc3c2=O)cc1OC 8283101 KZPFURQGZCSTAN-UHFFFAOYSA-N 418.518 4.738 0 40 HJAB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(C)s3)SC2=S)c(Cl)c1 8369833 WUGONUCFLUTFCY-RIYZIHGNSA-N 408.957 4.565 0 40 HJAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 8958998 WCJBSQVOOFXOLC-UHFFFAOYSA-N 400.906 5.000 0 40 HJAB O=C(CCC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccc2c(c1)CCC2 9155974 FIDMBSMNTVKPEU-UHFFFAOYSA-N 402.494 4.686 0 40 HJAB CCCn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2nn(-c3ccccc3)c(=O)c-2c1 9661534 NDGZOHIGYZJUOV-UHFFFAOYSA-N 424.863 4.594 0 40 HJAB CSCC[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 9668192 STGHBCKNUZBEDY-MQBCKMQZSA-N 416.509 4.708 0 40 HJAB COc1ccc2c(C)c(CCC(=O)Nc3cccc(Cl)c3Cl)c(=O)oc2c1 12607053 SBKYJCLGUYKKMJ-UHFFFAOYSA-N 406.265 4.988 0 40 HJAB CNC(=O)c1ccc(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)cc1 12730957 WCAQUQDHMKBCCQ-RCCKNPSSSA-N 422.431 4.827 0 40 HJAB O=C(NC1CC1)c1cccc(N[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 12788051 RIVRMUVISKRGGW-QFIPXVFZSA-N 403.457 4.510 0 40 HJAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1 14069324 LHAQMTJEZPLGHZ-UHFFFAOYSA-N 424.522 4.762 0 40 HJAB Cc1ccc(NC(=O)Cn2nc(C3CCCCC3)n(-n3cccc3)c2=S)c(C)c1 16777975 JAWIQNUWIOUMFE-UHFFFAOYSA-N 409.559 4.830 0 40 HJAB COc1ccccc1-c1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccnc2)[nH]n1 19571538 WNTWZQLDXHPAOT-QFIPXVFZSA-N 418.884 4.653 0 40 HJAB COc1cccc(CC(=O)N2CCC(c3ccc(Cc4cccc(F)c4)cn3)CC2)c1 19690257 IVNSMKOSADGVRV-UHFFFAOYSA-N 418.512 4.769 0 40 HJAB Cc1nc([C@]2(O)CCCN(CC(C)(C)C)CC2)sc1CCOc1ccccc1 19738740 GVNOERWHFFLDMY-QHCPKHFHSA-N 402.604 4.793 0 40 HJAB Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)c(C)c1 20061668 RQQQCMSSTHTDAR-UHFFFAOYSA-N 414.571 4.737 0 40 HJAB CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccccc4)[nH]c(=O)c23)C1 21882545 BLZSPPWKZOEQPA-AWEZNQCLSA-N 409.555 4.707 0 40 HJAB COc1ccc2ccc(OC)c(/C=C3/NC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2c1 26465003 GZTCMKRZUYPTGX-UDWIEESQSA-N 422.868 4.603 0 40 HJAB O=C(NCc1ccccc1Cl)c1ccn(COc2cccc(C(F)(F)F)c2)n1 27973280 MXCVPFDMYJWUOL-UHFFFAOYSA-N 409.795 4.522 0 40 HJAB c1ccc(C(c2ccccc2)c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1 33531859 ACKVNRCXJKTZHN-UHFFFAOYSA-N 422.517 4.764 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCc2ccccc2)cc1 39557112 JXPYFJCQWJUOQT-JLPGSUDCSA-N 423.516 4.574 0 40 HJAB Cc1cc(C)c(C)c(SCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)c1C 39577195 COZKOPWAYCXQCL-IBGZPJMESA-N 419.612 4.673 0 40 HJAB O=C(CCCNC(=O)c1ccc(-c2ccccc2F)o1)Nc1ccc(Cl)cc1 40156006 WJSUJFXMRAJYAO-UHFFFAOYSA-N 400.837 4.888 0 40 HJAB Cc1nc(CSc2ccccc2C(=O)N[C@@H]2CCSc3ccc(F)cc32)no1 43670900 VHMNAOZFIBBCJQ-MRXNPFEDSA-N 415.515 4.776 0 40 HJAB O=C(COc1cccc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1)Nc1ccccc1 70038274 YUBGOSSGLYBJDM-UHFFFAOYSA-N 418.468 4.904 0 40 HJAB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccccc2Cl)c2ccccc21 72193880 HEWHQYBKYJMXGN-DEOSSOPVSA-N 405.881 4.656 0 40 HJAB CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@H]1CCSc2c(F)cccc21 84019694 CPWCTVBFCIWRJU-AWEZNQCLSA-N 415.515 4.873 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1F)c1csc(-c2ccc3c(c2)OCO3)n1 89807699 QGICVOSTROFLGG-UHFFFAOYSA-N 410.348 4.949 0 40 HJAB CC/C(=C\C(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1)c1ccc(C)cc1 96035178 JVLVOXCQIOSZIG-CMAIMYMYSA-N 402.498 4.823 0 40 HJAB COc1cc(Br)cc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1ccc(C)c(C)c1 101148181 ULMDXZXJGBICPC-OXJNMPFZSA-N 417.303 4.844 0 40 HJAB COc1cc(OC)cc([C@@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(O)=C32)c1 102743913 HDTJTDAIVPSRKZ-WLRWDXFRSA-N 424.482 4.777 0 40 HJAB C[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1 107971990 RYFOPTZFOXRHCJ-QMHKHESXSA-N 406.507 4.545 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)CC1 222660801 SBKMKNHWCRFLLP-SFHVURJKSA-N 412.961 4.643 0 40 HJAB O=C(CSCc1ccccc1F)Nc1ccccc1C(=O)NCc1ccccc1 222700845 VVNNYBUVSGSHDF-UHFFFAOYSA-N 408.498 4.628 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 223208835 TUQMNVYBPHRWSR-QHCPKHFHSA-N 424.585 4.876 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 223237931 LSSSGYOOYKLYCB-LJQANCHMSA-N 414.977 4.833 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1C[C@@H]1CCCO1 223326853 CKRFROWZZMQYFA-ILWGZMRPSA-N 410.587 4.540 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1Cc1cccnc1 223474221 JWEDYNKPXJFOJW-XZOQPEGZSA-N 412.518 4.909 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3c(C)cc(C)cc3C)c2)cc1 224040819 OJFDFRQXFFFMTG-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB Cc1ccccc1[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224201748 GUPFPHGSNPNZGF-IBGZPJMESA-N 422.550 4.620 0 40 HJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224388461 MHNLQPFZQANGFQ-NRFANRHFSA-N 414.977 4.995 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1ccc(Cl)cc1 224501955 UHTKOQMCNSYTKW-UHFFFAOYSA-N 424.884 4.669 0 40 HJAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)c1 224518849 YRRKNYAAVBSSFK-ROUUACIJSA-N 401.944 4.982 0 40 HJAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1 225097934 NOWGGTDVCFXEGY-DEOSSOPVSA-N 424.560 4.933 0 40 HJAB CCOc1ccc([C@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1OCC 225293926 BDMOLXDOOSKLSV-IBGZPJMESA-N 421.541 4.837 0 40 HJAB O=C(COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1)N1CCCCC1 225503197 HWHAECOCYZAKFP-UHFFFAOYSA-N 406.526 4.528 0 40 HJAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)Nc1nc(-c3ccc(F)cc3)cs1)[C@@H]2C(=O)O 225611854 IVSADFKIURGWBT-LBTBCDHLSA-N 400.475 4.581 0 40 HJAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225698784 QLVMAXLXUHOEQX-INIZCTEOSA-N 421.368 4.520 0 40 HJAB CN1CCC(Oc2ccc(CNC(=S)Nc3ccc(C(F)(F)F)cc3)cc2)CC1 225772870 ANBIDYQQEVEIDG-UHFFFAOYSA-N 423.504 4.665 0 40 HJAB Cc1nc(-c2cccnc2)sc1C(=O)N1c2ccc(Br)cc2C[C@H]1C 225858992 HTNYZMKHWNAEDD-LLVKDONJSA-N 414.328 4.867 0 40 HJAB O=C(N1CC[C@H](Cc2cccc3ncccc23)C1)C1(c2cccc(F)c2)CCOCC1 257233573 GPTYQOVHWFCJCT-LJQANCHMSA-N 418.512 4.513 0 40 HJAB Cc1ccc(C)c(NCC(=O)N2CCC(c3cccc(Nc4ccccn4)n3)CC2)c1 257261809 LIXBPZAAECSKOB-UHFFFAOYSA-N 415.541 4.655 0 40 HJAB O=C(Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2)c1ccc(F)cc1 409061593 GDUSQGFKXQVUNQ-UHFFFAOYSA-N 408.498 4.948 0 40 HJAB Cc1ccc(-c2cc(C(=O)N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)n[nH]2)cc1 642606215 OCYSYHIDURDEIQ-UHFFFAOYSA-N 400.457 4.935 0 40 HJAB O=C(O)C[C](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 1560408690 SUUZCOHAPKJXSI-UHFFFAOYSA-N 400.454 4.774 0 40 HJAB CCOc1ccc(Cc2cc([C@@H]3O[C](SC)[C@@H](O)C(O)=C3O)ccc2Cl)cc1 1560411727 HIGGVLBEYNRRBB-PMACEKPBSA-N 421.922 4.942 0 40 HJAB CCc1ccc(C(=O)N2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)cc1 2037912530 NSOBEOPAVKBFAT-XMMPIXPASA-N 415.961 4.955 0 40 HJAB O=S(=O)(c1ccccc1)N1c2cc(Cl)ccc2Oc2nc3ccccc3nc21 712240 FYORCRPMWXGPQA-UHFFFAOYSA-N 409.854 4.916 0 40 HJAB aggregator COc1ccc(-c2nnc(SCC(=O)c3ccc(C)o3)n2-c2ccccc2)cc1 1076368 ZTELCCLVBRGBHV-UHFFFAOYSA-N 405.479 4.819 0 40 HJAB COc1ccccc1C(=O)Oc1ccc2cc(-c3nc4ccccc4o3)c(=O)oc2c1 1321670 MFBYBIVHJONRTK-UHFFFAOYSA-N 413.385 4.829 0 40 HJAB biogenic O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1ccc(F)cc1 1507810 OFQIPTHHYBLSIN-UHFFFAOYSA-N 424.238 4.806 0 40 HJAB CCC(CC)COC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12 2380200 OZPNQHQMMBGQMZ-UHFFFAOYSA-N 418.497 4.758 0 40 HJAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(Cl)cc1Cl 2409444 JIBOSPWSCIWISC-UHFFFAOYSA-N 406.273 4.506 0 40 HJAB C[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(Cl)c(Cl)c1 3114992 NROYTTGCZJBNHG-VIFPVBQESA-N 420.123 4.849 0 40 HJAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc(C(C)=O)c1C 3194903 YYYJROHYLNIFNF-UHFFFAOYSA-N 400.283 4.995 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cccc2ncccc12 3288792 BAAWGYQMVVHJGA-DTQAZKPQSA-N 413.868 4.928 0 40 HJAB COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3C=O)[C@H](COC(C)=O)CC[C@H]12 4073407 ZHHSQWXVDIXZCB-QSGVDLIZSA-N 418.530 4.600 0 40 HJAB biogenic O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)[C@@H]1COc2ccccc2O1 4224319 VCODYGBXEWLKMG-INIZCTEOSA-N 407.278 4.895 0 40 HJAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 4517897 NESCIJXAXHJTPQ-UHFFFAOYSA-N 408.504 4.619 0 40 HJAB COCCNc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CCC3 5081308 SAEKDMLXQWOKGV-UHFFFAOYSA-N 402.589 4.707 0 40 HJAB CCCc1nc2sc3c(N[C@@H](CC)CO)nc(SC)nc3c2c2c1CCC2 5478010 UBFPVKHCTYWDFI-NSHDSACASA-N 402.589 4.585 0 40 HJAB O=C(CCCOc1cccc(Br)c1)NCc1cccc(C(F)(F)F)c1 6053930 WFUVGRFGBXZWTC-UHFFFAOYSA-N 416.237 4.943 0 40 HJAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)n1C 6147635 GEWGKQYHQDZAHM-AWEZNQCLSA-N 406.511 4.644 0 40 HJAB CCc1ccc2c(Cn3cnc4scc(-c5ccccc5)c4c3=O)cc(=O)oc2c1 7313397 QAWAFLWNBVKBQR-UHFFFAOYSA-N 414.486 4.842 0 40 HJAB COc1ccc([C@@H](CNC(=O)COc2cccc(C)c2)c2c[nH]c3ccccc23)cc1 7889976 GMTNDPIWGBYLLN-HSZRJFAPSA-N 414.505 4.812 0 40 HJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc2c(c1)OC1(CCCC1)O2 7980330 FOZYOYLLXAZFLD-UHFFFAOYSA-N 417.387 4.735 0 40 HJAB COc1ccc(NC(=O)c2ccc(NC(=O)CCn3ccc4ccccc43)cc2)cc1 8071108 HDQQJZCBVVRBBV-UHFFFAOYSA-N 413.477 4.931 0 40 HJAB COc1cc(NC(=O)CCc2c(C)nn(-c3ccccc3)c2C)c(OC)cc1Cl 8305482 POKCSBZRAAGDPD-UHFFFAOYSA-N 413.905 4.731 0 40 HJAB CCCN(Cc1ccc(C)cc1)C(=O)CSc1nnc(-c2ccc(OC)cc2)o1 8501905 TUGJAAHZGPAEJC-UHFFFAOYSA-N 411.527 4.585 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1Br 9356682 WYORHTFDPPMBEK-UHFFFAOYSA-N 407.264 4.973 0 40 HJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 9631687 KVUNMNXYRVLIOY-UHFFFAOYSA-N 422.506 4.516 0 40 HJAB O=c1c2cc(Cl)ccc2nc(SC[C@@H]2CCCCO2)n1-c1ccc(F)cc1F 9666616 VYKJSKYYEONKAJ-AWEZNQCLSA-N 422.884 4.979 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCCc4ccccc43)ccc2C)cc1 10112964 LNLGKHIMMCMHGJ-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB COc1cccc(OC)c1C(=O)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 11136377 PFXFWISWZSWELL-XMMPIXPASA-N 424.424 4.808 0 40 HJAB COc1ccc(OC)c2sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)nc12 12080557 QOEQLPJTLFAAII-UHFFFAOYSA-N 418.474 4.797 0 40 HJAB COc1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1Cc1c(C)noc1C 12240599 WNXHBEOCJJJHCG-UHFFFAOYSA-N 424.516 4.514 0 40 HJAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ccc(F)cc1F 12752258 RDQSNBUZPGQOLD-UHFFFAOYSA-N 423.341 4.608 0 40 HJAB O=C(c1ccc(Cl)cc1)c1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)cc1 14212570 LMKNFVQUJWBRCY-UHFFFAOYSA-N 418.762 4.820 0 40 HJAB O=C(Nc1ccc(Cl)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1 15987543 YQHWKUOQPWPMCH-UHFFFAOYSA-N 424.913 4.872 0 40 HJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc(C)c4C)cc3n2)cc1 17089933 YWSSXABGBQFSEM-UHFFFAOYSA-N 414.509 4.926 0 40 HJAB CCc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 17090370 JWNXHPYAICCOGD-UHFFFAOYSA-N 415.518 4.862 0 40 HJAB O=C(O)c1cc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)ccc1Cl 17091755 AWGXZKSLLBULBF-UHFFFAOYSA-N 419.289 4.972 0 40 HJAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 17315878 ZCVUHVWGTINVLT-UHFFFAOYSA-N 400.478 4.931 0 40 HJAB O=C(CCc1nc(-c2ccccn2)no1)Nc1ccccc1Oc1ccc(F)cc1 19349978 CGYLXMFYFWZEIS-UHFFFAOYSA-N 404.401 4.634 0 40 HJAB O=C(CC1CCCC1)N[C@H](c1ccccn1)C1CCN(Cc2ccc(F)cc2)CC1 19400832 PSNMRRXQZKEDJM-VWLOTQADSA-N 409.549 4.871 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCN2C(=O)c2ccc(COC)cc2)n1 19525677 CERYFJQQBKCHIM-JOCHJYFZSA-N 416.525 4.615 0 40 HJAB Cn1c(CCC(=O)NCC2(c3ccccc3Cl)CC2)nc2cc(Cl)ccc21 19714201 LUARYFUZKXMPAU-UHFFFAOYSA-N 402.325 4.661 0 40 HJAB Cn1c([C@H]2CCCN(C(=O)Cc3csc(-c4ccccc4)n3)C2)nc2ccccc21 19715109 IERCTZCUIWTMRP-SFHVURJKSA-N 416.550 4.646 0 40 HJAB COc1cccc(-c2nc3c(s2)CN(C(=O)c2cccc4ncccc24)CC3)c1 19719772 FYISMMKXZRJIDA-UHFFFAOYSA-N 401.491 4.565 0 40 HJAB Cc1ccc2c(C)nc(Nc3nc(C)c(Cc4cccc(Cl)c4)c(=O)[nH]3)nc2c1 20797979 AGUOPYRRMUPRFC-UHFFFAOYSA-N 405.889 4.626 0 40 HJAB COc1ccc(C2=NC[C@@H](CSc3nc(Cc4ccccc4)c(C)[nH]3)S2)cc1 21331803 FISGBPGFEAFNDK-IBGZPJMESA-N 409.580 4.972 0 40 HJAB Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1cc2ccccc2oc1=O 24523003 UBEQERKPFMNPGC-UHFFFAOYSA-N 407.429 4.964 0 40 HJAB Cc1ccsc1C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F 25132161 FGJQMLGQNLMSTO-UHFFFAOYSA-N 424.906 4.902 0 40 HJAB O=c1[nH]c2c(cc1CNC1CCCCC1)c(-c1cccc(F)c1)nn2-c1ccccc1 26440850 DTWOBQJMCKYDJP-UHFFFAOYSA-N 416.500 4.942 0 40 HJAB CCn1c(=O)c2ccccc2n2c(COc3cc(Cl)c(Cl)cc3Cl)nnc12 29297108 UNRUOVKNSYBYAH-UHFFFAOYSA-N 423.687 4.603 0 40 HJAB O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2ccco2)C1 32475359 NBIYSJFNGSFRJN-SIKLNZKXSA-N 422.912 4.691 0 40 HJAB COc1ccc2nc(CN(Cc3ccccn3)C3CC(C)(C)NC(C)(C)C3)ccc2c1 36740505 IHEABITXUMYJLY-UHFFFAOYSA-N 418.585 4.950 0 40 HJAB O=C(Nc1ccccc1SC1CCCC1)c1cccc(N2CCCS2(=O)=O)c1 40074587 BTFALJPVAUQZDN-UHFFFAOYSA-N 416.568 4.514 0 40 HJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(Oc2cnccn2)cc1 40112609 WJMDGJJEPIVRLM-UHFFFAOYSA-N 405.845 4.669 0 40 HJAB O=C(CCn1ccc2cc(Br)ccc21)NCCc1c[nH]c2ccccc12 41128049 ZQQGMFITHZDIFA-UHFFFAOYSA-N 410.315 4.634 0 40 HJAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(OC)cc1 44936305 AAXQQIAIYMIVPC-QFIPXVFZSA-N 400.950 4.828 0 40 HJAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c1 46079021 JPNBIUNHVRAYHD-UHFFFAOYSA-N 416.452 4.874 0 40 HJAB COc1ccc(NC(=O)N2CCc3[nH]c4c(Br)cccc4c3C2)cc1 56516997 VKLZDZKUERKFFE-UHFFFAOYSA-N 400.276 4.529 0 40 HJAB biogenic O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccccc1Br 59200212 CXQSULTYCVAZQS-UHFFFAOYSA-N 424.707 4.883 0 40 HJAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 69947883 AGBWZCBNOICRAD-UHFFFAOYSA-N 421.972 4.782 0 40 HJAB Cn1cc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)c2ccccc21 72394590 ULMVAMLVVYGRTH-OAQYLSRUSA-N 424.614 4.750 0 40 HJAB COc1cccc2cc(C(=O)NCc3cc(-c4ccncc4)n(C4CCCC4)n3)oc12 90607135 TYDBELLUBJYECU-UHFFFAOYSA-N 416.481 4.745 0 40 HJAB O=C(CN(C1=NCCS1)c1ccc(Br)cc1)c1ccc(Cl)cc1 98026895 CRVDDPJHVOUVTK-UHFFFAOYSA-N 409.736 4.895 0 40 HJAB CN1[C@@H]2CC[C@@H]1CC(N(CCc1c[nH]c3ccccc13)C(=O)c1ccc(F)cc1)C2 100564414 GMBUNTAZLAYQLS-NHCUHLMSSA-N 405.517 4.617 0 40 HJAB CCCN1C(=O)S/C(=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)C1=O 108239347 ASMCZAKEAOOGJF-MOSHPQCFSA-N 424.522 4.767 0 40 HJAB O=C(Nc1c(F)cccc1F)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 216305277 RHNAVUHSLHEVHJ-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB CCc1cccc(C)c1NC(=O)[C@@H](CC)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220716477 PTTLOLRALXTSPF-GOSISDBHSA-N 422.978 4.703 0 40 HJAB CCOc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Br 222582471 QZPFBMZQVLDJCL-RZAIGCCYSA-N 418.360 4.832 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 222815430 FWIQITYGQPRMAA-SFHVURJKSA-N 414.977 4.831 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 223700979 CDKOAADBFQJFQJ-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 224140388 JRYYBAFFEZYODU-DEOSSOPVSA-N 422.569 4.548 0 40 HJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 224194729 MYPNZDDRULSPKZ-GOTSBHOMSA-N 411.534 4.753 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2C)cc1 224205324 DECZKFNLVLAUAS-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 224604808 GUMBMAYVQOOWTC-MIDMBNTASA-N 402.494 4.853 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 224731539 XURVFEVMUOGVKH-FQEVSTJZSA-N 424.585 4.615 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(CC)cc1 225158045 WXHLZKMKVYSVOO-DEOSSOPVSA-N 408.586 4.824 0 40 HJAB CSc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1NC(=O)C(C)C 225756160 FTTWXTCARCXDAI-UHFFFAOYSA-N 414.552 4.957 0 40 HJAB O=C(c1ccccc1Cn1cccn1)N1CCC[C@H](Cc2cccc3ncccc23)CC1 257211170 BXTKBOATIPJJBL-NRFANRHFSA-N 424.548 4.965 0 40 HJAB FC(F)(F)c1cccc(Cc2ccc([C@H]3CN(Cc4ccncc4)CCO3)nc2)c1 257316281 VEXXQDXSRXIEPI-JOCHJYFZSA-N 413.443 4.660 0 40 HJAB C[C@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)N[C@H](C)c3ccccc3)n2)C1 260717770 PLYUOIFKGJRODQ-UONOGXRCSA-N 423.508 4.779 0 40 HJAB CCOc1ccc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)cc1OC 408807825 OYOQXASEKQJFJQ-UHFFFAOYSA-N 403.911 4.819 0 40 HJAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc1 409347311 PJOAMCAAHOUWPY-WQRHYEAKSA-N 412.536 4.646 0 40 HJAB O=C(NC[C@H](O)CCc1ccccc1)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 1682121556 JBZRAQNMKZLZGB-ILWGZMRPSA-N 400.950 4.659 0 40 HJAB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cccc(Cl)c1 738412 LGHBVTGTMJGXNX-UHFFFAOYSA-N 419.912 4.555 0 40 HJAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Oc1ccc(-c2ccccc2)cc1 2265707 RFMAWSNEGHJKPC-UHFFFAOYSA-N 414.465 4.915 0 40 HJAB CCCCCNC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 2309514 LGGXSKYMUJJZLS-UHFFFAOYSA-N 407.905 4.729 0 40 HJAB Cc1ccc2c(c1)[nH]c1c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ncnc12 2393298 UQMRVWIPEHRZCC-UHFFFAOYSA-N 411.431 4.765 0 40 HJAB CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cc(OC)cc(OC)c2)n1 2412778 DUOYRFRUYLEEKL-UHFFFAOYSA-N 403.438 4.882 0 40 HJAB O=C1/C(=C/c2ccccc2Cl)NC(=S)N1C(=O)c1ccc(Cl)cc1Cl 3308352 WZKXQTHITJPRQT-AUWJEWJLSA-N 411.697 4.545 0 40 HJAB CCOc1ccccc1NC(=S)Nc1ccc(I)cc1C 3347531 PGHAWIFLKXATEA-UHFFFAOYSA-N 412.296 4.807 0 40 HJAB C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1cccc(Cl)c1 3490805 RUPFRHPOKNOLHW-GFCCVEGCSA-N 404.948 4.923 0 40 HJAB O=C(COC(=O)CSc1cc(Cl)ccc1Cl)Nc1c(F)cccc1F 3525217 KGCCUHLCYJYISV-UHFFFAOYSA-N 406.237 4.546 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)cc1 4417549 XQJHEMAMJQGUHI-UHFFFAOYSA-N 413.521 4.518 0 40 HJAB COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cccc(C)c2C)c1 4518127 CFDNJTZAKZQRFO-UHFFFAOYSA-N 419.529 4.869 0 40 HJAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(Cl)c3)c3ccccn23)cc1 4585241 OZUSPBTXBRURSD-UHFFFAOYSA-N 403.869 4.967 0 40 HJAB O=C(Nc1ccc(F)c(F)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 4682308 REUHTMAQCGQALP-OAQYLSRUSA-N 414.433 4.584 0 40 HJAB COc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 4816576 FLFQELOVRNPQNR-FCHUYYIVSA-N 404.514 4.709 0 40 HJAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1 5293872 FTUJSOQFSHVHCT-KSSFIOAISA-N 406.429 4.568 0 40 HJAB COc1cc(NC(=O)c2ccccc2OCc2ccc(F)cc2)cc(OC)c1OC 6640283 AQZYMIWRZPJDIS-UHFFFAOYSA-N 411.429 4.683 0 40 HJAB CN(CCOc1ccc(Br)cc1)C(=O)COc1ccc2ccccc2c1 6649675 FYLWBUIWIVBLAD-UHFFFAOYSA-N 414.299 4.519 0 40 HJAB COc1ccc(C(C)=O)cc1COC(=O)c1ccccc1C(=O)c1ccc(C)cc1 6788154 GZVHGGXRPGUSDC-UHFFFAOYSA-N 402.446 4.794 0 40 HJAB C[C@@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc5c(c4)OCO5)o3)cc2C1 7129838 KSMDRCOLJKXSEY-LLVKDONJSA-N 414.508 4.627 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)c1 8344593 OWWCJGFPJOPSET-XMMPIXPASA-N 413.521 4.988 0 40 HJAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(F)c(F)c3F)n2)cc1 8484154 PYQNPKDCNCSVIF-JTQLQIEISA-N 406.433 4.571 0 40 HJAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccccc2F)sc2c1CCCC2 8495410 YMOARZQSAQCCFN-HNNXBMFYSA-N 405.491 4.739 0 40 HJAB COCCCNc1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccc(C)cc1 8844636 WTFNFSJYJWCFKS-UHFFFAOYSA-N 420.918 4.585 0 40 HJAB CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 10314638 DKYCWGHRUKSRBI-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(Cc4ccco4)c3C)o2)cc1 10680108 DYFYJGRFVCADFE-UHFFFAOYSA-N 423.494 4.780 0 40 HJAB CN(Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1)C(=O)c1ccco1 11667135 UMJVTKDWIXKRSF-UHFFFAOYSA-N 409.873 4.634 0 40 HJAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H](C)Oc1ccc(C)cc1 12480933 YCOBOPXFZFFFKC-CQSZACIVSA-N 409.313 4.556 0 40 HJAB COc1cccc(/N=c2\scc(-c3cccs3)n2CCCN2CCCC2=O)c1 12658307 PHOWOAGILHARMT-DQRAZIAOSA-N 413.568 4.532 0 40 HJAB Cc1ccc([C@@H](NCc2nc(COc3ccc(F)cc3)no2)c2ccccc2)cc1 12790483 XOGDGZDAKBRDFR-DEOSSOPVSA-N 403.457 4.975 0 40 HJAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccccc1C(=O)NC1CC1 13118028 ZWVWLUPTVZIHEB-UHFFFAOYSA-N 417.943 4.573 0 40 HJAB COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccccc3Cl)cs2)cc1 15832740 UQSGIHBUTQACAR-CYBMUJFWSA-N 402.903 4.556 0 40 HJAB CCOP(=O)(OCC)c1nc(-c2ccccc2)oc1NCc1ccc(F)cc1 16751571 KGQIPSDEKPBOQA-UHFFFAOYSA-N 404.378 4.984 0 40 HJAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)NNc3ccccc3)o2)cc1Cl 17089069 XUVPOAYOVRPXKR-ZRDIBKRKSA-N 411.914 4.939 0 40 HJAB O=C(c1ccccn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(CC3CCCCC3)CC[C@@H]21 19400283 WZBZAVUFTCXYGC-LSQMVHIFSA-N 421.560 4.731 0 40 HJAB Cc1noc2nc(C3CCN(Cc4c[nH]nc4C(C)(C)C)CC3)cc(C(F)(F)F)c12 19564992 TWRAJQBPDNWKKK-UHFFFAOYSA-N 421.467 4.950 0 40 HJAB Cc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 19946341 HPPKYEKXLUDYCW-UHFFFAOYSA-N 422.550 4.754 0 40 HJAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2)N2CCN(C)CC2)c1C 20192878 SJWVXNOEGXRROR-OAQYLSRUSA-N 409.555 4.547 0 40 HJAB Cc1ccc(-n2ncc3c2N=C(O)C[C@]32C(=O)N(CC(C)C)c3ccccc32)c(C)c1 20733631 KVGXOKPZQGUEHX-RUZDIDTESA-N 414.509 4.770 0 40 HJAB COc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2NCc2ccccc2)cc1 22574144 KZRKDUKCNFGZMB-UHFFFAOYSA-N 422.481 4.827 0 40 HJAB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(NC(=O)c3ccco3)s2)n1 25014251 DGMKSMZBFSTEIH-UHFFFAOYSA-N 406.467 4.648 0 40 HJAB CCc1cccc(CC)c1NC(=O)CSc1nc(CN(C)C)nc2ccccc12 31619182 ZGSCTOLLIKMHPO-UHFFFAOYSA-N 408.571 4.547 0 40 HJAB COc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1N1CCCCC1=O 38489800 DNWURUSPAPMINI-UHFFFAOYSA-N 407.392 4.875 0 40 HJAB Cc1ccc(-c2cc(C(=O)Oc3ccc(-c4nnco4)cc3)c3c(C)noc3n2)s1 40025785 IPKZOCFNXCPBPC-UHFFFAOYSA-N 418.434 4.837 0 40 HJAB O=C(Nc1cccc(C(=O)Nc2ncc(-c3ccccc3)s2)c1)c1cccnc1 40087532 IKXIQRDTHFTDNA-UHFFFAOYSA-N 400.463 4.710 0 40 HJAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1 40117404 UGRCVTDKGFPNDC-LJQANCHMSA-N 409.910 4.544 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)n2CC(C)C)cc1 57291767 JHKQTESNIMEALA-UHFFFAOYSA-N 406.555 4.591 0 40 HJAB COc1ccccc1/C=C1/SC(=O)N(CNc2ccc(Br)cc2)C1=O 59457376 VIENEHNWQAMHCP-MHWRWJLKSA-N 419.300 4.564 0 40 HJAB CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC(=O)Cc1ccccc1 67889969 VYSAWLBMFFVGFZ-XXBNENTESA-N 404.510 4.570 0 40 HJAB biogenic,in-vitro O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 72341434 ZGFPMJITQAXRLK-CTNGQTDRSA-N 409.530 4.666 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c1 72353904 KPWAMLOBKCEYQM-XMMPIXPASA-N 414.549 4.938 0 40 HJAB COC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)[C@H](C)c1ccccc1 80344965 DMRRQZOCACEOCW-HDBZGKQISA-N 406.309 4.558 0 40 HJAB O=C(c1cccs1)N1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 96038212 VFHGCUVYBNGHEH-UHFFFAOYSA-N 406.486 4.617 0 40 HJAB COc1cc(C(=O)Nc2c(F)cc(F)c(Cl)c2F)cc(OC)c1Br 97081536 QUEVKSRYYRNCHT-UHFFFAOYSA-N 424.600 4.789 0 40 HJAB Cc1nc(NCc2nc(-c3ccncc3)no2)c2cc(-c3ccccc3)sc2n1 97160143 IHFHHHKISKVSQX-UHFFFAOYSA-N 400.467 4.724 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1C 98073044 YQWKBONJIDYKGA-UHFFFAOYSA-N 408.239 4.886 0 40 HJAB COC(=O)CC[C@@H](C)[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[C@@]21C 138104121 BWDRDVHYVJQWBO-FUWIEVQRSA-N 406.607 4.566 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 222596931 DCELAUHTGUWTTF-QPPBQGQZSA-N 408.586 4.692 0 40 HJAB C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222769154 BCZOALYUWAXNEH-IBGZPJMESA-N 420.940 4.616 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1ccco1 222910474 FRMZVNFODQETHI-FCHUYYIVSA-N 408.571 4.770 0 40 HJAB COC(=O)c1cc2cc(NC(=O)c3cc4cc(OC)ccc4nc3C)ccc2s1 223138106 KKXCDJSLUMZGSD-UHFFFAOYSA-N 406.463 4.805 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 223653899 SBLYDZZJFAAEEV-QFIPXVFZSA-N 414.977 4.915 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(C)cc1 223950395 JTZWLBZOTRQPMF-QHCPKHFHSA-N 422.550 4.985 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 224971443 GUSNPTGIWSTXFX-INIZCTEOSA-N 421.368 4.788 0 40 HJAB Cc1cc(NC(=S)NCCCc2ccc(Cl)cc2)ccc1N1CCCC1=O 225545281 PCHOLHKIRVMKKC-UHFFFAOYSA-N 401.963 4.694 0 40 HJAB COc1cccc(-c2noc(CNC(=S)Nc3ccc(OC4CCCC4)cc3)n2)c1 225822979 KUVDMINITRHYLQ-UHFFFAOYSA-N 424.526 4.553 0 40 HJAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cnc(C(C)C)nc2)C1 257216746 CVWVFQBLLQIQDR-SFHVURJKSA-N 422.598 4.942 0 40 HJAB Cc1ccccc1Cc1cccc([C@@H]2CN(Cc3c(C)nn(C(C)C)c3C)CCO2)n1 257294845 QVYWRVHUYMYBLD-SANMLTNESA-N 418.585 4.949 0 40 HJAB O=C(O)c1ccc(-c2ccc(CN3CCC[C@H]3c3nc4ccccc4[nH]3)o2)cc1O 257339523 ZCBVRHJQYWDKFH-IBGZPJMESA-N 403.438 4.564 0 40 HJAB O=C(CNC(=O)c1ccc(COc2ccccc2)o1)Nc1cccc(Cl)c1Cl 408560507 CZZSFFXHHHAODZ-UHFFFAOYSA-N 419.264 4.534 0 40 HJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(I)cn1 408573093 LTOCRPNMGUYUQF-DHZHZOJOSA-N 416.218 4.598 0 40 HJAB Cn1c(COc2cccc3ccccc23)nnc1SCC(=O)c1ccc(F)cc1 408594054 DUHKHEWADRIFFZ-UHFFFAOYSA-N 407.470 4.661 0 40 HJAB CO[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21)c1ccccc1C(F)(F)F 1538165937 ZBBRRSPGGJDGEX-FUHWJXTLSA-N 411.395 4.951 0 40 HJAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccc(F)cc3)cc2c1 1353104 XMXIKOSVVSFYKQ-UHFFFAOYSA-N 405.429 4.803 0 40 HJAB COc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(C)C)cc4)no3)C2)cc1 1360228 RUWOSXGHTLRCTN-HXUWFJFHSA-N 405.498 4.888 0 40 HJAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4C(F)(F)F)ccc1c23 1448662 WEDWJVOOAQFINS-UHFFFAOYSA-N 420.412 4.640 0 40 HJAB Cc1cccn2c(=O)c3cc(C(=O)Nc4cc(Cl)ccc4Cl)sc3nc12 2722969 DTTKOOHKFCHRMT-UHFFFAOYSA-N 404.278 4.777 0 40 HJAB CCOc1ccccc1NC(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 2725335 VAGFWFRLZDFQFW-KRWDZBQOSA-N 402.756 4.548 0 40 HJAB O=C(Nc1ccccc1F)c1ccn(COc2ccc(Cl)cc2Br)n1 2795498 IKVBRDNHHHUQSY-UHFFFAOYSA-N 424.657 4.727 0 40 HJAB COc1cccc([C@H]2Nc3c(C(=O)O)cccc3[C@H]3c4ccccc4C[C@@H]23)c1OC 2860474 REQDACGXRQSKGJ-KJXAQDMKSA-N 401.462 4.873 0 40 HJAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CCCCCC1 3267784 HCBNIQBAMVZNPT-UHFFFAOYSA-N 404.507 4.545 0 40 HJAB CN(C)c1ccc([C@@H](CNC(=S)NCc2ccco2)c2c[nH]c3ccccc23)cc1 3286976 VOWGOTPMUBTWAS-OAQYLSRUSA-N 418.566 4.623 0 40 HJAB CCCc1cc(=O)oc2cc(OCCOc3cccc(Br)c3)ccc12 3292045 GOJXEWXSTSEYCA-UHFFFAOYSA-N 403.272 4.966 0 40 HJAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccccc1-c1ccccc1 3339873 NKSLVPXONAXFKM-UHFFFAOYSA-N 406.791 4.826 0 40 HJAB CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 4549015 VBXUANHQGDGFQV-CQSZACIVSA-N 406.983 4.966 0 40 HJAB O=C1O[C@@H](c2ccc3c(c2)OCO3)N(C(=O)c2ccccc2Cl)c2ccccc21 4612028 OSGFJZSKOVJWPA-NRFANRHFSA-N 407.809 4.585 0 40 HJAB CC[C@H]1CCCCN1C(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 4828034 ANJIEHUTLWTBGC-RYQLBKOJSA-N 406.452 4.948 0 40 HJAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O 5235790 UFFYGPUYAIXRPP-HXUWFJFHSA-N 411.505 4.944 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3)ccc2C)c(C)c1 6213892 XFOBBPMERZDISM-UHFFFAOYSA-N 422.550 4.685 0 40 HJAB COCCn1c(C)cc(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)c1C 6256068 JEOHGZGROUPKAH-UHFFFAOYSA-N 416.572 4.630 0 40 HJAB C[C@@H](Oc1ccc2oc3ccccc3c2c1)C(=O)Nc1ccc(N2CCOCC2)cc1 6831992 NEDFJRPMHZKSJC-QGZVFWFLSA-N 416.477 4.829 0 40 HJAB Cc1cccc(N2C(=O)CS[C@]23C(=O)N(Cc2cccc(F)c2)c2ccccc23)c1 6997173 KFWMEAVLKYDAFY-XMMPIXPASA-N 418.493 4.614 0 40 HJAB c1ccc(-c2noc(CCCSc3nnc(C4CC4)n3-c3ccccc3)n2)cc1 7229884 YSXLJQNMGBCCNW-UHFFFAOYSA-N 403.511 4.920 0 40 HJAB O=C1CCc2cc(C(=O)CSc3ncc(C(F)(F)F)cc3Cl)ccc2N1 7988635 DOHPUEPYTGMIKA-UHFFFAOYSA-N 400.809 4.614 0 40 HJAB Cc1cc(=O)c(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)nn1-c1ccccc1Cl 8072979 KSJRVKKIOALTST-UHFFFAOYSA-N 423.944 4.764 0 40 HJAB CN(C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)[C@@H]1CCCc2ccccc21 8165326 KDVLLRGJPUJFKB-OAQYLSRUSA-N 418.566 4.773 0 40 HJAB Cc1ccccc1-n1cnnc1SCC(=O)N[C@H](C)c1cccc2ccccc12 8193319 FPNQLOCAVVDPMM-QGZVFWFLSA-N 402.523 4.698 0 40 HJAB CCOc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1ccccc1Cl 8254721 FNJJNCRJRJOHLO-UHFFFAOYSA-N 404.923 4.624 0 40 HJAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1Cl 9652313 CISDYLTWMCQWNO-UHFFFAOYSA-N 403.059 4.551 0 40 HJAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2c(oc3ccccc32)c1=O 9752214 GACYRNJMBYQBOV-UHFFFAOYSA-N 407.495 4.510 0 40 HJAB COc1ccc(Br)cc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1 9906571 FCQBEFQMHQBETB-UHFFFAOYSA-N 424.254 4.913 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)COc2cc(Cl)ccc2Cl)c(OC)c1 11584555 WJUVRZLZZSEIJW-KRWDZBQOSA-N 410.297 4.753 0 40 HJAB O=C(Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)c1cccc(F)c1 11665512 JBMPWSXTXZJTDQ-UHFFFAOYSA-N 415.453 4.911 0 40 HJAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@H](NC(=O)c2ccc3ncccc3c2)C1 12144390 WOXDXLZNUPTYRX-JOCHJYFZSA-N 409.493 4.530 0 40 HJAB CCN1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccccc3C(C)C)cc2C)CC1 12520778 DTOLGEIOAWABQR-HXUWFJFHSA-N 408.590 4.699 0 40 HJAB O=C(Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1)C1CC1 12526376 ORUQRBWTCVWEDW-UHFFFAOYSA-N 418.824 4.508 0 40 HJAB CC(C)CN(C(=O)Cc1ccc(N2CCCC2=O)cc1)c1nc2ccccc2s1 12728288 ULEOLZWOPAZAFA-UHFFFAOYSA-N 407.539 4.655 0 40 HJAB O=C(COc1ccc(Br)cc1Cl)Nc1ccc(Br)cc1 13978050 UHPDBMOZOVDUFF-UHFFFAOYSA-N 419.500 4.883 0 40 HJAB Cc1nn(CC(C)C)c2sc(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)cc12 14180484 XVHFFPSABIEYTA-UHFFFAOYSA-N 421.570 4.579 0 40 HJAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc2ccccc12 14429021 HQCUIKPUFPVZGN-UHFFFAOYSA-N 422.550 4.586 0 40 HJAB COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1 15832708 NZWKUSZCGDUOBI-AWEZNQCLSA-N 416.930 4.864 0 40 HJAB COc1ccccc1OCC(=O)N(C)[C@H](c1cccs1)c1c[nH]c2ccccc12 15835557 UMXDHOYRZISANE-QHCPKHFHSA-N 406.507 4.865 0 40 HJAB COP(=O)(OC)c1nc(Cc2ccccc2)oc1NCc1ccccc1Cl 16751755 YDXSGYDUKATUDW-UHFFFAOYSA-N 406.806 4.642 0 40 HJAB O=C(c1ccc(C2SCCS2)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1 18017416 SLMHGLISDGNNHO-UHFFFAOYSA-N 419.015 4.777 0 40 HJAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)[C@H](C)c3ccccc3)CC1)N2 19128425 HYHVJMUOXVEPMX-AYOQOUSVSA-N 420.479 4.521 0 40 HJAB CCOc1ccc(CCC(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2ccncc2)cc1 19533122 SZIJRNSQYQEFCU-HSZRJFAPSA-N 416.525 4.542 0 40 HJAB Cc1nn([C@@H](C)CC(=O)N2CCC[C@H](COc3ccccc3F)C2)c(C)c1Cl 19577512 PANSGIVXJFBHKM-YOEHRIQHSA-N 407.917 4.561 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1(c2ccccc2)CCCC1 20096598 AWPWHJSEQNOOLQ-UHFFFAOYSA-N 418.459 4.993 0 40 HJAB COc1ccc(S[C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)cc1OC 20451645 ZBJBXDRUVKNFSV-ZDUSSCGKSA-N 411.976 4.746 0 40 HJAB COc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)cc1Br 20497079 PMKYJGSCMLBOCP-UHFFFAOYSA-N 415.165 4.767 0 40 HJAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc(Br)cc3F)c12 25630128 MTWASGVNYMRWHB-UHFFFAOYSA-N 405.271 4.554 0 40 HJAB O=C(COc1ccc(F)cc1)NC[C@H](c1ccccc1Cl)N1CCCCCC1 27749310 WDNLIRPDUPWQOR-OAQYLSRUSA-N 404.913 4.591 0 40 HJAB COc1ccc([C@@H]2Cc3cc(OC)c(OC)cc3[C@H](c3ccccc3)N2)cc1OC 31795253 CKZCETURDAJQBM-CPJSRVTESA-N 405.494 4.697 0 40 HJAB CCCCn1c(=O)c2sccc2n2c(SCc3ccc(Cl)cc3)nnc12 35529083 WSIWNMJBBQNZEH-UHFFFAOYSA-N 404.948 4.852 0 40 HJAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2 38489878 CLNARLQYPPPCJZ-UHFFFAOYSA-N 404.297 4.932 0 40 HJAB COc1ccc(-c2csc(CCNC(=O)CCc3ccccc3Cl)n2)cc1 48302782 ZKVMLWQVIZTICB-UHFFFAOYSA-N 400.931 4.764 0 40 HJAB CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1c[nH]c2ccccc12 48308995 SVLNYAWHGSNJDU-UHFFFAOYSA-N 418.368 4.998 0 40 HJAB CCOC(=O)c1c(NCc2ccccc2C(F)(F)F)c2cccc(C)c2[nH]c1=O 49001471 REVCFYVRGSLPMT-UHFFFAOYSA-N 404.388 4.644 0 40 HJAB O=C(Cc1ccc(F)cc1)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C12CCCCC2 57773929 JCJRDRMQBOUQLG-LADGPHEKSA-N 406.545 4.662 0 40 HJAB C[C@H]1CCN(C(=O)COC(=O)c2[nH]c3ccccc3c2Cl)c2ccccc2S1 58195682 VYOJMLNRMKBAOK-ZDUSSCGKSA-N 414.914 4.896 0 40 HJAB CCN(CC)CCC[C@@H](C)NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C 58202233 WRGCHMOREONOBE-MRXNPFEDSA-N 419.566 4.688 0 40 HJAB Cc1cc2occ(CC(=O)Nc3ccc(C)c(-n4nnnc4C)c3)c2cc1C(C)C 58247526 CKFOCAFSUBUHPA-UHFFFAOYSA-N 403.486 4.638 0 40 HJAB O=c1c2cc(-c3ccccc3)sc2ncn1Cc1csc(Br)c1 60815115 TYBMALLZUHCUSS-UHFFFAOYSA-N 403.326 4.997 0 40 HJAB Cc1nc(-c2cccc(NC(=O)[C@H]3CC(c4ccc(Cl)s4)=NO3)c2)oc1C 65797667 ZIHKCBMTAOCYLU-OAHLLOKOSA-N 401.875 4.805 0 40 HJAB CSc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 67299195 PKCLLHMSOZKOJH-GYHWCHFESA-N 406.463 4.616 0 40 HJAB O=C(c1cnc2ccc(F)cc2c1NCc1ccccc1Cl)N1CCSCC1 72328502 CPKXMGRNTVOHKK-UHFFFAOYSA-N 415.921 4.828 0 40 HJAB Cc1nc2ccc(NC(=O)N3CCO[C@@H](c4ccc(Br)cc4)C3)cc2o1 95373489 MYYKBHIELWRERB-GOSISDBHSA-N 416.275 4.504 0 40 HJAB Cc1cc(C)n(C[C@H](C)CN[C@@H](c2ccncc2)c2cccc(C(F)(F)F)c2)n1 95466854 OAYKXZQWQALMKF-VFNWGFHPSA-N 402.464 4.929 0 40 HJAB COCc1ccc(CN2[C@H]3CC[C@H]2c2cnc4cc(-c5cccc(C)c5)nn4c2C3)o1 100141213 MMWHEIPUIIYTKV-MBSDFSHPSA-N 414.509 4.706 0 40 HJAB CCOc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)ccc1O 105544636 BTBDBSRVDAICNZ-AJFUHEOUSA-N 421.537 4.699 0 40 HJAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OC 214116162 RNWWMKPJRUEWGM-WOJGMQOQSA-N 403.887 4.984 0 40 HJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCN1CCCc2ccccc21 219345869 MSGIOSDTBGOWOA-XMMPIXPASA-N 402.538 4.956 0 40 HJAB Cc1ccc(CSCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222628442 HVBUXMNARIPXFN-IBGZPJMESA-N 412.599 4.560 0 40 HJAB CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(OC)c(C)c1 222717942 AWSCMHDGWFDQLI-QGZVFWFLSA-N 402.343 4.881 0 40 HJAB COc1ccc(C)cc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 223119667 GUXUHKJDXVTFNM-ZHZULCJRSA-N 406.507 4.783 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 223131567 BZAWRAPHAFPNDB-OAQYLSRUSA-N 424.585 4.831 0 40 HJAB CCCC[C@@H](CC)CNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 223866011 NPSRIGKIYKSEAC-LJQANCHMSA-N 416.587 4.766 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 225169603 CFPQWJRWRONTON-JKSUJKDBSA-N 421.368 4.868 0 40 HJAB COc1cccc(-c2noc(CN(C)C(=O)CCc3c(Cl)cccc3Cl)n2)c1 225364511 BKMSOAJFWWGUHV-UHFFFAOYSA-N 420.296 4.643 0 40 HJAB O=C(COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1)N1CCCCC1 225515380 VNWNZYCVUDIKFZ-UHFFFAOYSA-N 424.516 4.668 0 40 HJAB C[C@@H](NC(=S)Nc1nc(N2CCCCC2)cc(C(F)(F)F)n1)c1ccccc1 225963396 SMJNKMLKZKTPCB-CYBMUJFWSA-N 409.481 4.533 0 40 HJAB Cc1nc(-c2cccc(NC(=O)c3cn4c5c(cccc5c3=O)C[C@@H]4C)c2)cs1 226094013 NIGZSRVMTIWSIB-ZDUSSCGKSA-N 401.491 4.803 0 40 HJAB O=C(C1CCCC1)N1CCO[C@@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 257213354 CHESOLQEJYTTOW-OAQYLSRUSA-N 418.459 4.781 0 40 HJAB O=C(Cc1cccc(O)c1)N1CC[C@@H](Nc2cccc(F)c2)[C@@H](Cc2ccccc2)C1 257271750 MZRGXIBYMFTDFK-SQJMNOBHSA-N 418.512 4.646 0 40 HJAB CCOc1ccc(/C=C2\S[C](Nc3cc(Cl)ccc3OC)NC2=O)cc1OC 408817227 ZYZDJYHUPRCNNB-UHFFFAOYSA-N 419.910 4.519 0 40 HJAB CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)NC1=S 409082794 SVPLMQRQYUWITM-BOPFTXTBSA-N 404.894 4.526 0 40 HJAB CCCCOC(=O)c1cc(NC(=O)CSc2nc3ccccc3[nH]2)ccc1Cl 409178032 IHHCJZFVWOWMIY-UHFFFAOYSA-N 417.918 4.904 0 40 HJAB O=C(c1cccc(O)c1)N1CCN(Cc2c(Cl)cccc2Oc2ccccc2)CC1 1658223555 LTPRNFMWJYWTLA-UHFFFAOYSA-N 422.912 4.796 0 40 HJAB CC(C)c1ccc(OCc2nnc(SCC(=O)c3cc(F)ccc3O)o2)cc1 780078 SQBRWQFTMLPFNQ-UHFFFAOYSA-N 402.447 4.592 0 40 HJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)c(C)c1 851207 RHUZOBFYYZQUGY-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB CC[C@@H](C)OC(=O)COc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 957131 UDWDISJOOGMWRO-CYBMUJFWSA-N 402.830 4.959 0 40 HJAB COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc4ccccc4c3)C[C@@H]21 1297300 SXNQYGOFUPYBQF-QHCPKHFHSA-N 413.521 4.814 0 40 HJAB O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2nc3ccccc3nc2Cl)CC1 2388153 ADSAAECBBUKFES-UHFFFAOYSA-N 421.715 4.552 0 40 HJAB CCC(C)(C)NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 2651997 MPUJNBVEKRZZEZ-UHFFFAOYSA-N 408.420 4.641 0 40 HJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccn(COc2ccccc2F)n1 2797929 PJUVIDAPMGHHLR-UHFFFAOYSA-N 413.758 4.983 0 40 HJAB O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)C(Cl)(Cl)Cl 3041624 JVFIKRUCPCRRBZ-UHFFFAOYSA-N 414.503 4.512 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCN(CC)C2 4086895 NEFRCSKWPGJWAY-UHFFFAOYSA-N 408.523 4.708 0 40 HJAB CCCCN[C@H](C)[C@@H](O)c1ccc(-c2ccc([C@@H](O)[C@@H](C)NCCCC)cc2)cc1 4430024 HLQCZIGONWBKKO-JHESGUABSA-N 412.618 4.977 0 40 HJAB CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccccc1Cl 4691256 YJODESUIRBPNBB-CQSZACIVSA-N 400.935 4.588 0 40 HJAB O=S(=O)(c1ccc2ccccc2c1)N1CCn2cccc2[C@H]1c1ccccc1F 4853827 JWWFVKDQKXJANW-HSZRJFAPSA-N 406.482 4.574 0 40 HJAB O=C(c1cccnc1)N(Cc1cc2cc3c(cc2nc1Cl)OCO3)C1CCCC1 4881149 PXUIPWKFWZVKPX-UHFFFAOYSA-N 409.873 4.597 0 40 HJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4Cl)[C@@H]3C2=O)c1 5119282 GLTQFBFWISJYOZ-BDTNDASRSA-N 418.880 4.700 0 40 HJAB O=C(CCSc1ccc(F)cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 5192707 RMALSTXROXYIDK-UHFFFAOYSA-N 416.499 4.841 0 40 HJAB CC[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 5200770 HGZLQJBKHRHJMS-LZLYRXPVSA-N 406.452 4.948 0 40 HJAB CCN1CCN(c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2Cl)CC1 6241870 FYXNNXQPXROWTA-UHFFFAOYSA-N 415.965 4.623 0 40 HJAB O=C(NC(=S)Nc1ccc(CN2CCCC2)cc1)c1cc(Cl)ccc1Cl 6548100 IJEBESKWSHEKRW-UHFFFAOYSA-N 408.354 4.716 0 40 HJAB COc1cc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc(OC)c1 6623888 ROLXDAACSSMKQO-UHFFFAOYSA-N 421.449 4.663 0 40 HJAB biogenic COc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)CC2=O)c1 7881858 DMPILXZQSRRUNO-SFHVURJKSA-N 416.477 4.788 0 40 HJAB C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NC[C@H]1CCCO1 8312071 AIJWXHLVZOQZDO-VQIMIIECSA-N 408.523 4.784 0 40 HJAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cc(Cl)ccc1N1CCOCC1 8395785 ARNCCGHJCLNYGF-UHFFFAOYSA-N 410.901 4.593 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2sc(C)nc2C)nn1 8601187 UIODAQCQENQCNH-UHFFFAOYSA-N 420.947 4.610 0 40 HJAB Cc1cccc(NC(=O)c2cc3c(=O)n4cc(C)ccc4nc3n2Cc2ccccc2)c1 9187006 JWSKHWPERSPZNE-UHFFFAOYSA-N 422.488 4.567 0 40 HJAB Cc1ccccc1C(=O)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 9190416 YWDLVFIWBLZAQU-UHFFFAOYSA-N 421.913 4.509 0 40 HJAB CC(C)(Oc1ccc(Cl)cc1)c1nn2c(COc3ccc(F)cc3)nnc2s1 9227308 WQBRVNOTEMDSFP-UHFFFAOYSA-N 418.881 4.871 0 40 HJAB CC(C)CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1 9875425 ZGTNFVHIGMNTER-UHFFFAOYSA-N 423.494 4.776 0 40 HJAB Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(Cc1ccc(F)cc1)C(=O)O3 12754975 JRBPUTHICXUWAK-UHFFFAOYSA-N 406.392 4.522 0 40 HJAB COc1cc(C(=O)Nc2cc(C(C)(C)C)ccc2O)ccc1OCc1cscn1 12981087 FTHMESNZMHZCAV-UHFFFAOYSA-N 412.511 4.986 0 40 HJAB CCOc1ccc2nc3sc(C(=O)Nc4cc(OC)ccc4OC)c(N)c3cc2c1 13503444 OGCYNIWBFBRHCX-UHFFFAOYSA-N 423.494 4.700 0 40 HJAB CC(C)c1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)c2cnn(C(C)C)c2n1 14085146 NJSQAAVKABLHCG-NRFANRHFSA-N 423.561 4.686 0 40 HJAB Cc1ccc(-c2ccsc2C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 14185248 BIVRJMOIHWFUNO-UHFFFAOYSA-N 417.534 4.844 0 40 HJAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC 14187382 FCXSGODDZKMRRM-OAHLLOKOSA-N 416.326 4.536 0 40 HJAB COc1ccc2nc(-n3nc(C)c4c3NC(=O)CS[C@H]4c3ccccc3)sc2c1 15084869 YHUBHIDBPRCPAX-IBGZPJMESA-N 422.535 4.574 0 40 HJAB CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc(C)cc1C 16843828 LTRKEHYBFBVLPI-UHFFFAOYSA-N 409.486 4.568 0 40 HJAB Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)Cc4ccccc4F)C3)noc2n1 19568721 XYHPCJBTSKKWDN-AWEZNQCLSA-N 421.394 4.638 0 40 HJAB COc1ccc2[nH]c(C(=O)N3CCC(c4nc5cc(C)ccc5[nH]4)CC3)c(C)c2c1 19715069 ZDSAUFOZIRIIBY-UHFFFAOYSA-N 402.498 4.689 0 40 HJAB CN1CCC(N(Cc2ccc(N3CCCC3=O)cc2)Cc2ccccc2Cl)CC1 19715906 KNBKBNFTAVWDTE-UHFFFAOYSA-N 411.977 4.563 0 40 HJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc2sc3c(n2c1=O)CCCC3 20767677 LZFIWLLXDUQOQU-UHFFFAOYSA-N 417.490 4.679 0 40 HJAB O=C1C[C@H](c2cccc(Cl)c2)Cc2nc3nc(SCc4ccccc4)nn3cc21 20796198 BJCNHXJFCBFRMQ-MRXNPFEDSA-N 420.925 4.983 0 40 HJAB COc1ccc([C@H](CNC(=O)c2ccnc(Cl)c2)c2c[nH]c3ccccc23)cc1 24993236 FULUWTOEBUOYAS-IBGZPJMESA-N 405.885 4.787 0 40 HJAB CC(C)CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1 25495111 RKDNUSDENNDSIC-AWEZNQCLSA-N 418.335 4.873 0 40 HJAB CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nccn2-c2cc(C)ccc2C)cc1 26047622 KYELGAWBJZGPSO-KRWDZBQOSA-N 407.539 4.661 0 40 HJAB Cc1cn2c(/C=C/C(=O)OCc3csc(-c4ccsc4)n3)c(C)nc2s1 26943117 LDMUVYKCSZWYAS-ONEGZZNKSA-N 401.538 4.954 0 40 HJAB C[C@H](C(=O)Nc1ccccc1OC(F)F)N(C)Cc1ccccc1N1CCCCC1 29155367 KZLWSCOVSGZYME-QGZVFWFLSA-N 417.500 4.737 0 40 HJAB CCCCC(=O)Nc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1OC 32114980 BUVZVSOHNHWUCU-UHFFFAOYSA-N 406.482 4.995 0 40 HJAB NC(=O)c1c(NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCCCC2 32125141 AHFGALZFZJCXJP-UHFFFAOYSA-N 420.534 4.947 0 40 HJAB COc1ccc(C(=O)Nc2nn(Cc3ccccc3Cl)cc2Cl)c(OC)c1 32611656 XUSYEXUBTHNDFX-UHFFFAOYSA-N 406.269 4.508 0 40 HJAB CCN(CC(=O)Nc1ccc(C)cc1Br)[C@H](C)c1cccc(OC)c1 32927264 MRGNOKYUCXZIRA-OAHLLOKOSA-N 405.336 4.788 0 40 HJAB COc1ccc(NC(=O)COc2cccc(-c3noc(-c4cccc(C)c4)n3)c2)cc1 33327267 XCPBBVYEOYYMLP-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3cccc(C(=O)N(C)C)c3)c12 40132563 VKBBQEGWNSPQTQ-UHFFFAOYSA-N 421.545 4.572 0 40 HJAB C[C@H](c1nc2scc(-c3cccs3)c2c(=O)[nH]1)N1CCC[C@@H]1c1cccn1C 57611497 YUQGDVFHHITOKI-CZUORRHYSA-N 410.568 4.950 0 40 HJAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 59321203 ILELCOVMHSBNRV-OXJNMPFZSA-N 407.518 4.585 0 40 HJAB CC1CCN(Cc2nc3cc(NC(=O)COc4ccccc4)ccc3n2C(C)C)CC1 65322324 AAXPJOHWJXIRSS-UHFFFAOYSA-N 420.557 4.867 0 40 HJAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cc(F)ccc3F)oc12 67295700 FFGVFDBMGNJODA-VYIQYICTSA-N 421.403 4.908 0 40 HJAB C[C@H]1CN(CC(=O)Nc2ccccc2Oc2ccccc2)c2ccccc2NC1=O 72305667 SRPWKXCJSKSYLN-KRWDZBQOSA-N 401.466 4.512 0 40 HJAB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1ccc2[nH]c(=O)sc2c1 72307866 CCAYUXFKJSBHQA-MDWZMJQESA-N 402.475 4.821 0 40 HJAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2C(=O)CCc2ccccc2)n1 72376905 IQHGVFQVSFNXFG-OAQYLSRUSA-N 404.489 4.551 0 40 HJAB CCn1cc(C(=O)N2CCC[C@H](c3[nH]c4ccccc4c3-c3ccncc3)C2)c(C)n1 72396392 NNJVKSREWCUREV-IBGZPJMESA-N 413.525 4.775 0 40 HJAB O=C([C@H]1CC(c2ccc(Cl)cc2Cl)=NO1)N(C[C@H]1CCOC1)c1ccccc1 84549118 VANLLKCRTJYHPA-JLTOFOAXSA-N 419.308 4.556 0 40 HJAB CCCc1noc(CCCC(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)n1 97000980 LEHKDGAFPXKLTR-NRFANRHFSA-N 407.514 4.650 0 40 HJAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)Nc4cc(Cl)ccc4C)cc3)C(=O)[C@@H]12 206659753 XXTXWODEIYNUCR-SKRQURTPSA-N 420.896 4.602 0 40 HJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 222668787 JVIXGMJVYXSCBT-QGZVFWFLSA-N 400.950 4.605 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)c1 223784503 QSBCZKCOBMCZHD-NRFANRHFSA-N 406.570 4.630 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1cc(C)cc(C)c1 224534864 LQKIBUGNRABBDN-UHFFFAOYSA-N 418.493 4.632 0 40 HJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 224870037 XGMHYGNPARRQDA-JOCHJYFZSA-N 419.525 4.740 0 40 HJAB COc1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1Cl 225784645 HLCCCIDSUKGAPA-UHFFFAOYSA-N 424.707 4.882 0 40 HJAB Cc1nc2ccccn2c1-c1nnc2sc(C(c3ccccc3)c3ccccc3)nn12 227143354 KGHXLGJEIMCRFT-UHFFFAOYSA-N 422.517 4.989 0 40 HJAB COc1ccc(F)cc1-c1cccc(CC2(C(=O)N3CCCCC3)CCOCC2)c1 257197594 DMEACUYSFAOJEF-UHFFFAOYSA-N 411.517 4.853 0 40 HJAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2Cc2ccc(C(=O)O)cc2)o1 257209271 BPSWYPSXGMVYCW-NRFANRHFSA-N 406.482 4.699 0 40 HJAB CC1CCN(c2ccccc2NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 408706762 DGHDRWDTRQLJIE-KRWDZBQOSA-N 411.933 4.568 0 40 HJAB CS(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1cc(Cl)ccc1Cl 409028640 OWZUFGSPQIKORI-UHFFFAOYSA-N 423.321 4.551 0 40 HJAB CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)ccc21 1629187006 SAZGFMJWKVOVOM-UHFFFAOYSA-N 400.544 4.659 0 40 HJAB O=C1N[C@H](c2ccc(Br)cc2)Nc2c1sc(=S)n2-c1ccccc1 662900 ZVAUPTSAMWDUQB-CQSZACIVSA-N 418.341 4.885 0 40 HJAB CCOc1ccccc1/N=c1\oc2c(OC)cccc2cc1C(=O)Nc1nccs1 876316 KVWTZIATYVLAIO-FLFQWRMESA-N 421.478 4.781 0 40 HJAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCCCO4)c(C)oc2cc1OC(C)=O 2124069 PIFJAPMUWQNBER-UHFFFAOYSA-N 408.450 4.808 0 40 HJAB biogenic O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(O)c2)N1Cc1ccccc1Cl 2703987 MKUNBSPNOSMVJN-NRFANRHFSA-N 417.848 4.897 0 40 HJAB O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)c1ccccc1 2720651 WYUDJNCHFWBOBE-UHFFFAOYSA-N 411.486 4.842 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CCCCC2 2742269 KIFRERQQDRLVCB-UHFFFAOYSA-N 407.919 4.865 0 40 HJAB O=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NC1CCCCC1 3299614 UOMDCKKRAPGZRP-NTCAYCPXSA-N 418.946 4.603 0 40 HJAB Cc1ccsc1C(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccco1 3422866 UBUMSMHEDVWERV-UHFFFAOYSA-N 422.428 4.949 0 40 HJAB CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccccc1 4082657 IAPQJTWDFSUNMC-PTRSRSAMSA-N 405.538 4.993 0 40 HJAB biogenic Cc1ccc(NC2=Nn3c(nnc3-c3ccccc3Br)SC2)c(C)c1 4189854 ZIUDKUJEAOSXEB-UHFFFAOYSA-N 414.332 4.704 0 40 HJAB COC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 4740103 XJJAFZNGKMUBPU-GYCJOSAFSA-N 410.473 4.942 0 40 HJAB Cn1c(SCc2ccccc2)nnc1C1CCN(C(=O)Nc2ccccc2)CC1 5001364 LOOWVLJEUCNRNY-UHFFFAOYSA-N 407.543 4.519 0 40 HJAB C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)N[C@H](C)c1ccc(F)cc1 5391948 ICNONBCZPBBGCC-VXGBXAGGSA-N 405.882 4.887 0 40 HJAB Clc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1cccnc1)N1NC=NC1=N2 5516538 PWKDSKMQHOTDTE-FCHUYYIVSA-N 413.868 4.539 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 5697874 KJQFRUVVYWXSFP-UHFFFAOYSA-N 400.887 4.980 0 40 HJAB CN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 6027128 YBKHEKZRFQPHRS-UHFFFAOYSA-N 412.748 4.580 0 40 HJAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NC1CCCCCCC1 6146613 WQCWYLKVOVEASS-UHFFFAOYSA-N 418.534 4.778 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 6215369 XBKPKGKIVZACEL-UHFFFAOYSA-N 414.914 4.726 0 40 HJAB C[C@@H](NC(=O)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1)c1ccccc1 6525363 JLDNBSINLCOTIM-YKSBVNFPSA-N 400.522 4.858 0 40 HJAB CCc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccncc2)cc1 6830373 RSZZXORZGDLHBE-UHFFFAOYSA-N 400.507 4.867 0 40 HJAB CCOc1ccc(C(=O)CN(C2=NCCCCC2)c2ccc3c(c2)OCCO3)cc1 6870319 JMSIJTSRHSUQJP-UHFFFAOYSA-N 408.498 4.518 0 40 HJAB C[C@@H]1CCC[C@H](NC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H]1C 6930438 ZRHSCMXFOILLCB-AFXFGAOOSA-N 403.513 4.846 0 40 HJAB Cn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 7180420 LTDIFEPZYZYDRV-HXUWFJFHSA-N 420.582 4.892 0 40 HJAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 8131678 LCIDZUAAPDLNCX-JKSUJKDBSA-N 404.539 4.603 0 40 HJAB Nc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)cnn1-c1ccc(Cl)cc1 8861953 IRGHTOBLIQQVSH-UHFFFAOYSA-N 416.912 4.951 0 40 HJAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1cc(C(F)(F)F)ccc1Cl 9120449 SQJBMMXTOILXAK-UHFFFAOYSA-N 424.806 4.955 0 40 HJAB COCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccc(F)cc1 9421638 ZQFDJZDBHXZNKX-UHFFFAOYSA-N 406.461 4.686 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1c2ccccc2C[C@@H]1C 9465085 BJQHRVJNWNSJQV-INIZCTEOSA-N 424.497 4.526 0 40 HJAB C[C@@H]1CCCN(c2nc(Nc3cccc(F)c3)c3cnn(-c4ccccc4)c3n2)C1 9622908 YTZKCTWGFUPFAP-MRXNPFEDSA-N 402.477 4.935 0 40 HJAB O=C(COc1ccc(Cl)cc1)NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1 9713888 KUABRANJPIQRTJ-UHFFFAOYSA-N 422.337 4.671 0 40 HJAB Cc1cc(C)cc(-n2c(SCC(=O)c3ccccc3)nc3c(c2=O)S[C@H](C)C3)c1 11726674 ZFVMFVRNZLKBPW-MRXNPFEDSA-N 422.575 4.861 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1N/C=C1/N=C(c2ccccc2)OC1=O 12561938 UMQZDOVUKZEAJS-QGOAFFKASA-N 418.474 4.849 0 40 HJAB Cc1nc(COc2cccc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)c2)cs1 12581134 AOPNCIKMSPZWBO-NRFANRHFSA-N 418.522 4.884 0 40 HJAB O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1ccc(F)c(F)c1 12659468 QBOYCPPXPWKBRW-UHFFFAOYSA-N 418.223 4.613 0 40 HJAB CC(=O)c1cccc(Oc2ccc3nnc(-c4ccc(Br)cc4)n3n2)c1 13690243 XBHNXGMENDPFEC-UHFFFAOYSA-N 409.243 4.549 0 40 HJAB C[C@@H]1c2ccsc2CCN1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 14233158 XEFQOYXVOCEESW-HZPDHXFCSA-N 411.596 4.683 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2cccc(Cl)c2C)cc1 15390895 RJNXGONRCOIBFL-KRWDZBQOSA-N 420.962 4.529 0 40 HJAB CCc1cccc(C)c1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 16162291 XDVRETQHJVOYJK-UHFFFAOYSA-N 414.571 4.520 0 40 HJAB COCc1ccc(CN2[C@H]3CC[C@@H]2c2cnc4cc(-c5cccc(C)c5)nn4c2C3)o1 19235327 MMWHEIPUIIYTKV-FDDCHVKYSA-N 414.509 4.706 0 40 HJAB CCCO[C@@H]1CCCN(C(=O)C2(Cc3ccccc3-c3cccnc3)CCOCC2)C1 19503764 RJQOCNROXVNCNL-HSZRJFAPSA-N 422.569 4.506 0 40 HJAB CCN1CCC(n2nccc2NC(=O)C(C)(C)Oc2cc(C)ccc2C(C)C)CC1 19527045 HRGKTFCHIRWIPG-UHFFFAOYSA-N 412.578 4.768 0 40 HJAB CC(=O)N(CCNc1ncc(C(F)(F)F)cc1Cl)Cc1ccc(Cl)cc1 20366460 RKPFRGLELLSZJP-UHFFFAOYSA-N 406.235 4.868 0 40 HJAB COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1Cl 20578960 PQBNAFPQAFTKRQ-UHFFFAOYSA-N 406.873 4.952 0 40 HJAB Cc1noc(C)c1CN(Cc1ccccc1Cl)S(=O)(=O)/C=C/c1ccccc1 21325631 WFGCZQOBGBOZNX-OUKQBFOZSA-N 416.930 4.948 0 40 HJAB O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(-c2nc3ccccc3s2)c1 22617957 IQQBXSPDIXTZEM-UHFFFAOYSA-N 401.447 4.510 0 40 HJAB Cc1nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2c(=O)n1-c1ccccc1 23143751 JOVNZFUXEGMSHP-UHFFFAOYSA-N 403.869 4.529 0 40 HJAB Cc1cc(C)c(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c(C)c1 24607697 HVBQZUIBNYTDEG-UHFFFAOYSA-N 424.497 4.565 0 40 HJAB O=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1c(Cl)cccc1Cl 25946763 KLLQKZDLLPBZQJ-UHFFFAOYSA-N 405.325 4.917 0 40 HJAB CCn1c(=O)c2ccccc2n2c(CSc3cc(C(C)(C)C)ccc3C)nnc12 29358326 ZGKOIPTYHDDCQP-UHFFFAOYSA-N 406.555 4.962 0 40 HJAB COc1cc(Br)cc2cc(C(=O)Nc3ccccc3C(C)C)c(=O)oc12 30769005 AGVQIYDCLXBBDR-UHFFFAOYSA-N 416.271 4.940 0 40 HJAB CC(=O)Nc1cccc([C@H](C)NC(=O)NCCCCOc2ccc(Cl)cc2)c1 32795253 DOMGMOUEYJCPEE-HNNXBMFYSA-N 403.910 4.518 0 40 HJAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H]3c3cccs3)c12 32888326 MRXLOBKRCRYACY-IBGZPJMESA-N 402.523 4.983 0 40 HJAB CN(Cc1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1)C1CCCCC1 32904224 VMRBZPWSKOEYQD-UHFFFAOYSA-N 419.569 4.826 0 40 HJAB C[C@H](C(=O)Nc1cccc2ccccc12)N1c2cccc3cccc(c23)S1(=O)=O 33649577 HHTITPQUNGGJSU-OAHLLOKOSA-N 402.475 4.529 0 40 HJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 38753424 RZKVCKPFJQIKFF-OAHLLOKOSA-N 417.527 4.780 0 40 HJAB CC(=O)N[C@@H](CC(=O)O[C@H](C)c1nc2ccccc2n1C(F)F)c1ccc(C)cc1 40033799 KDDJFYTUKGKZGQ-KDOFPFPSSA-N 415.440 4.612 0 40 HJAB NC(=O)Cc1cccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1 41127421 FMXZJRFFXUDJLK-UHFFFAOYSA-N 407.267 4.952 0 40 HJAB Oc1ccc(N2CCN(Cc3cn(-c4ccccc4)nc3-c3ccccc3)CC2)cc1 45569986 GQXOOGCXQXJKRD-UHFFFAOYSA-N 410.521 4.567 0 40 HJAB Cc1cccc(-c2noc(C3CCN(CC(=O)Nc4cccc(Cl)c4C)CC3)n2)c1 49403242 UBOYNWYXKICIAK-UHFFFAOYSA-N 424.932 4.825 0 40 HJAB Cc1ccc(F)cc1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486724 UFUJEQKDFKUWTL-UHFFFAOYSA-N 410.836 4.945 0 40 HJAB COc1ccc(CCC(=O)Nc2cccc(OC(F)F)c2C)cc1Br 58227598 VKIYMBDBYREBKL-UHFFFAOYSA-N 414.246 4.939 0 40 HJAB CCOc1cccc([C@H](C)NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1 60183072 ZUIVNXARPYRFBJ-YADARESESA-N 416.521 4.824 0 40 HJAB CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccccc2N2CCCCCC2)CC1 62580148 KYSLYTHZTCTWRO-UHFFFAOYSA-N 414.594 4.616 0 40 HJAB Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc(F)cc3)no2)cc1 71195068 NSGATDBWJGMIAV-NRFANRHFSA-N 401.441 4.898 0 40 HJAB CC[C@@](C)(CCCNC(=O)c1cc2c(s1)-c1ccccc1OC2)C1OCCO1 72306328 XIVXVMUECZJVQS-QFIPXVFZSA-N 401.528 4.607 0 40 HJAB CC(C)(C)C(=O)N1CCC(c2cc(C(F)(F)F)n3nc(C(C)(C)C)cc3n2)CC1 72341082 PRFHRZMMEUDIOG-UHFFFAOYSA-N 410.484 4.798 0 40 HJAB CC(C)(C)C(=O)N[C@@H](c1nccs1)C1CCN(Cc2ccc3ncccc3c2)CC1 72394578 BLCKKRLKCOLECA-OAQYLSRUSA-N 422.598 4.807 0 40 HJAB Cc1nc2cc(NC(=O)[C@H]3CCC[C@@H]3C(=O)Nc3ccc4oc(C)nc4c3)ccc2o1 95441919 OUYUEEKXSORJAM-IRXDYDNUSA-N 418.453 4.579 0 40 HJAB O=C(c1c(Cl)cccc1C(F)(F)F)n1nc(Br)c2ncccc21 95917873 BVRBWNLAWQISAH-UHFFFAOYSA-N 404.573 4.555 0 40 HJAB in-vitro CCCn1cnc(-c2nc(C(=O)Nc3ccc(OC(C)C)cc3)c3ccccn23)c1 96155135 SZOPKRBDTRSIJW-UHFFFAOYSA-N 403.486 4.647 0 40 HJAB CC(C)C(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 107732100 NSUHORLCGYZMLH-UHFFFAOYSA-N 400.887 4.582 0 40 HJAB O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc(Br)c(Cl)c1 138886755 VTCKESWNFLXCFJ-UHFFFAOYSA-N 403.059 4.551 0 40 HJAB CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220530001 PTWQVPFILQXKHZ-FQEVSTJZSA-N 402.560 4.610 0 40 HJAB COC(=O)c1cn(C(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc12 222639917 WOCFWGHFMQDTGG-QGZVFWFLSA-N 410.901 4.634 0 40 HJAB Cc1cccc(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 222823455 BNOKALBDODVCHV-QGZVFWFLSA-N 400.950 4.523 0 40 HJAB CCCC[C@@H](CC)CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 224078391 MDQCGCTVYNQOKF-GOSISDBHSA-N 402.560 4.742 0 40 HJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)n1-c1cccnc1 224159507 GCFXHLLZIVHDMR-DHIUTWEWSA-N 411.534 4.753 0 40 HJAB Cc1nc(C(=O)N2CCS/C2=C/c2csc(Nc3ccc(F)cc3)n2)co1 225253571 BMHQXMBFVCIJAD-LZYBPNLTSA-N 402.476 4.510 0 40 HJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC 225460658 LTARHZRMUGHPTL-QFIPXVFZSA-N 414.977 4.996 0 40 HJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225738762 HOFCTQOZOSTGMY-ROKPMTFOSA-N 404.595 4.967 0 40 HJAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2cc(Cl)ccc2Cl)c1C 408670743 YASPZEUSBWOAJQ-UHFFFAOYSA-N 423.296 4.511 0 40 HJAB O=C(c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCCCCC1 408980458 WQPNZTLIIQQXOY-UHFFFAOYSA-N 409.493 4.770 0 40 HJAB Cc1c(CN2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)nc2ccccn12 585100551 NGRVDAGLTFMDFM-VWLOTQADSA-N 408.590 4.570 0 40 HJAB C=Cc1cccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1 1911925646 SXJLLELNTGHKOO-XMMPIXPASA-N 413.473 4.864 0 40 HJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 664079 MJIMBNRNJLIDCN-UHFFFAOYSA-N 421.353 4.926 0 40 HJAB COc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccccc3)C3CCCC3)cc2c1 880124 SEJKOWMDFRJNSJ-UHFFFAOYSA-N 407.539 4.678 0 40 HJAB O=C(CCC1CCCC1)Nc1cccn(Cc2ccccc2Br)c1=O 1354149 WUSMXJRRCYLRND-UHFFFAOYSA-N 403.320 4.568 0 40 HJAB Oc1cc2ccccc2cc1-c1nc2c3cnn(-c4ccc(Cl)cc4)c3ncn2n1 2236728 GUQJULQOWLLOBU-UHFFFAOYSA-N 412.840 4.642 0 40 HJAB CC(C)Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2ccccc2c1=O 3261529 ICPLTENUOYULPD-UHFFFAOYSA-N 419.909 4.576 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 3377094 XHFPKKXBCNXIPK-LLVKDONJSA-N 419.337 4.848 0 40 HJAB COc1cccc(NC(=S)NCCn2c3ccccc3c3c(C)cc(C)nc32)c1 3765460 FHXOKUIVOLMPAO-UHFFFAOYSA-N 404.539 4.802 0 40 HJAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Br)cc2)CSC3)c1 4223319 SGIYZSMNUMENLV-UHFFFAOYSA-N 414.328 4.942 0 40 HJAB Cc1ccc2sc(N(CCN(C)C)C(=O)c3nc4ccccc4s3)nc2c1C 4359377 HKWRLKIPJCBQLO-UHFFFAOYSA-N 410.568 4.731 0 40 HJAB Cc1ccc2c(C)nc(Nc3ncc4c(n3)C[C@H](c3ccc(F)cc3)CC4=O)nc2c1 4488273 GOAVNVYEYMVDGK-INIZCTEOSA-N 413.456 4.832 0 40 HJAB COc1cc(C(=O)NCCc2ccc3oc4ccccc4c3c2)cc(OC)c1OC 6668531 YVOPCGJCFYFCAQ-UHFFFAOYSA-N 405.450 4.584 0 40 HJAB COc1ccc([C@@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)c(OC)c1 6679148 IXZMWUJHEACFEH-BTYIYWSLSA-N 423.538 4.670 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4ccc(C)cc4C)ccc32)cc1 6767048 FURQCKDZTNVECG-UHFFFAOYSA-N 420.534 4.616 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)N(c2ccccc2)C2CCCCC2)n1C 7236403 JKQUKUDRAAFEBP-UHFFFAOYSA-N 410.543 4.842 0 40 HJAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)/C=C/c1nc2ccccc2s1 7981646 SNDSOMVVDSTBMB-MDZDMXLPSA-N 410.524 4.860 0 40 HJAB C=CCOc1cccc(/C=C2\C(=O)N(c3ccc(CC)cc3)C(C)=C2C(=O)OC)c1 8085652 GWWLZCIRWPNZNA-JWGURIENSA-N 403.478 4.691 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 8186562 YAVDSWJPPHBQLU-UHFFFAOYSA-N 406.825 4.769 0 40 HJAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1CC=C(c2ccccc2)CC1 8520344 OEZFLTCOOQNMLE-UHFFFAOYSA-N 416.506 4.626 0 40 HJAB O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccc2ccccc2c1 8640526 LYVDJJOTWLUMHV-UHFFFAOYSA-N 421.547 4.747 0 40 HJAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(Br)cc2F)CC1 9062956 IJIABSZQFTXAHK-UHFFFAOYSA-N 405.311 4.747 0 40 HJAB CCn1cc2nc(SCc3ccccc3Cl)n(Cc3ccc(C)cc3)c(=O)c2n1 9299804 HNYBLRRZYBYISE-UHFFFAOYSA-N 424.957 4.915 0 40 HJAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3nonc3-c3ccc4c(c3)CCCC4)oc2c1 9421053 WCPLKFPHMWSMQE-UHFFFAOYSA-N 415.449 4.591 0 40 HJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCCCCC2)cc1Cl 10119245 ZMWJQNQMYCXZFH-UHFFFAOYSA-N 410.901 4.854 0 40 HJAB c1ccc2c(CSc3nnc(N4CCCCC4)n3C[C@@H]3CCCO3)cccc2c1 12107668 KPLHIMATWALEDG-FQEVSTJZSA-N 408.571 4.893 0 40 HJAB O=C(Nc1ccccc1Sc1ccc(Cl)cc1)c1n[nH]c(=O)c2ccccc12 12360231 SYCBMXGEOJSCPY-UHFFFAOYSA-N 407.882 4.980 0 40 HJAB CCOC(=O)[C@H]1Cc2ccccc2CN1Cc1cccc(OCc2ccccc2)c1 12628951 NERRDFXHHNCTDC-RUZDIDTESA-N 401.506 4.756 0 40 HJAB CCOc1cc(C(=O)Nc2cccnc2)ccc1OCCOc1ccccc1Cl 12632223 XTZYFXHSIVTZFX-UHFFFAOYSA-N 412.873 4.844 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 12898933 GQRYOBZYNQEMLJ-UHFFFAOYSA-N 424.353 4.617 0 40 HJAB CSc1ccc(CN(C)C(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 12926572 RLMQDVKHBYNATJ-UHFFFAOYSA-N 418.971 4.665 0 40 HJAB COc1cc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc(OC)c1 12974569 ZDBLKIPBUHWFAR-UHFFFAOYSA-N 418.902 4.953 0 40 HJAB C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 14139246 RKFDHFPSUFILLM-HTAPYJJXSA-N 406.526 4.501 0 40 HJAB COC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14649561 NJYHMLAXHHXCLS-UHFFFAOYSA-N 420.303 4.551 0 40 HJAB CCSc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)s1 16752590 YCWIKSIDHSEHMK-MRXNPFEDSA-N 421.503 4.506 0 40 HJAB COCCCNc1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 16942576 XDCQMHOTOUGBOS-UHFFFAOYSA-N 408.893 4.661 0 40 HJAB COC(=O)c1ccn(Cn2nc(-c3cccc(C)c3)c(Cl)c2-c2cccc(C)c2)n1 17092496 VGHFCGKIPONYPC-UHFFFAOYSA-N 420.900 4.976 0 40 HJAB Cc1cccc(N2C(=O)N(Cc3ccc(C)c(C)c3)c3ccccc3S2(=O)=O)c1 21657721 HQWFMYGYDXQPNS-UHFFFAOYSA-N 406.507 4.947 0 40 HJAB Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)c(C)[nH]1 22413491 GUVOJIAYXVNHHP-UHFFFAOYSA-N 417.538 4.866 0 40 HJAB Cc1cccc2c(C(=O)N(C)CCOc3ccc(F)cc3)cc(-c3ccccn3)nc12 35316659 DIAZZPPIVCUXPV-UHFFFAOYSA-N 415.468 4.895 0 40 HJAB CCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)cc1OC 35387654 DPPPZOCFILJHPY-LGMDPLHJSA-N 410.495 4.546 0 40 HJAB O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 36394957 GCXDPTIYSDIZKH-SFHVURJKSA-N 423.296 4.519 0 40 HJAB CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1 40132782 WTTBNMLXULHGIA-UHFFFAOYSA-N 423.492 4.722 0 40 HJAB CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(C(C)C)cc3)c2c1=O 48989448 SYVLSDLZDHYNQK-UHFFFAOYSA-N 414.509 4.647 0 40 HJAB COc1cc(OC)c(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1Cl 51364577 GOTVLSXXVFIWGO-OAHLLOKOSA-N 424.884 4.516 0 40 HJAB Cn1cnc(-c2ccccc2)c1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 58137704 XLNHTWUXABMICF-UHFFFAOYSA-N 420.476 4.587 0 40 HJAB Cc1cnn(CCc2nc3cc(-c4ccc(Cl)cc4Cl)sc3c(=O)[nH]2)c1 63925856 MCFNRIMJVMYIQG-UHFFFAOYSA-N 405.310 4.706 0 40 HJAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@H](C[C@@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1 70707874 NEMWYOKGHGSVSC-QNOJQWCNSA-N 415.662 4.563 0 40 HJAB COc1cc(OC)c([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)cc1OC 71287693 MQDVXKQZOAACHV-SFHVURJKSA-N 403.504 4.616 0 40 HJAB COc1ccc(NC(=O)CN(Cc2ccccc2F)c2ccccc2F)c(OC)c1 72275079 STSDBYPOPYGADT-UHFFFAOYSA-N 412.436 4.627 0 40 HJAB CCOC(=O)N[C@@H](CNCc1sc(Sc2ccccc2)nc1Cl)C1CC1 72289902 PKONCCTWYWJVKZ-AWEZNQCLSA-N 411.980 4.562 0 40 HJAB COc1cccc(N2CCN(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)c1 96318727 YEJLFIWMENMZGT-UHFFFAOYSA-N 417.509 4.628 0 40 HJAB Cc1noc2nc(C3CC3)cc(C(=O)OCc3ccc(Br)cc3F)c12 97134594 OCXBMGNLAJBLGE-UHFFFAOYSA-N 405.223 4.667 0 40 HJAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219309498 JMJJWTSDIXKLDF-FQEVSTJZSA-N 417.456 4.814 0 40 HJAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 223058623 WOENWEOQKXQAJO-VWLOTQADSA-N 414.549 4.599 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 223084103 VCBNKAXLNUWANW-MOPGFXCFSA-N 414.977 4.831 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(CC)cc1 223507451 PLURCAPDLCGVMN-HXUWFJFHSA-N 424.585 4.524 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C 223665751 ZUDGHBNHQDQBNS-QHCPKHFHSA-N 424.585 4.577 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224051690 XUSKDRFWQXANOK-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)c1 224227117 CKMXNBVPEONVDI-PKTZIBPZSA-N 411.534 4.753 0 40 HJAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 224789966 IJHOVBUBTURNLC-SFHVURJKSA-N 412.961 4.749 0 40 HJAB O=C(O)COc1ccc(CN2CCCC[C@H]2c2ncc(Cc3ccccc3F)o2)cc1 257204202 ATMYQKROCYTGDL-QFIPXVFZSA-N 424.472 4.595 0 40 HJAB CCCC(=O)N1CCC(Cc2ccccc2-c2ccccc2C)(C(=O)NCC)CC1 257300040 RSQFVWUVGQEVJX-UHFFFAOYSA-N 406.570 4.750 0 40 HJAB Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccccc3)nn2-c2cccc(C)c2)cc1 408697506 JYDBBECGESCWOP-UHFFFAOYSA-N 411.461 4.591 0 40 HJAB Fc1ccccc1C1(c2noc(CCc3nnc(-c4ccccc4)o3)n2)CCCC1 559988239 WCSROHYICLTRMM-UHFFFAOYSA-N 404.445 4.904 0 40 HJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1ccc(OC(F)(F)F)cc1 1775966590 NJWDLOMEBDNYOB-SFHVURJKSA-N 407.413 4.777 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 851210 HIIILYGJEPEGQA-UHFFFAOYSA-N 418.316 4.847 0 40 HJAB COc1ccc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1 858104 ZTKPWUYHMYRYOL-XMMPIXPASA-N 416.521 4.607 0 40 HJAB O=C(c1ccc(F)cc1F)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363533 DFHQSCYFVOBHBW-ZDUSSCGKSA-N 403.816 4.688 0 40 HJAB COc1ccc2cc(CN(C(=O)c3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c2c1 1366627 LPEFPKLXOLLJLC-UHFFFAOYSA-N 408.473 4.651 0 40 HJAB Cc1cc2c(ncn2C)c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1C 1385934 ZQDROZJKBSHYIW-UHFFFAOYSA-N 418.733 4.951 0 40 HJAB Cc1[nH]c2c(Cl)cccc2c1CCNC(=O)c1cc2cc(Cl)ccc2oc1=O 1424207 XULVKLDMOGAGMD-UHFFFAOYSA-N 415.276 4.862 0 40 HJAB O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)Nc1cccc(F)c1 2346707 RJKZBXKEKPHBOX-UHFFFAOYSA-N 422.460 4.943 0 40 HJAB COc1cc(-c2nn3c(-c4ccc(C(C)(C)C)cc4)nnc3s2)cc(OC)c1OC 2397479 MPETZRVOYYYKNU-UHFFFAOYSA-N 424.526 4.843 0 40 HJAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2C)cc1 2445861 ZLVFRINHRWQNIP-UHFFFAOYSA-N 423.325 4.528 0 40 HJAB C[C@H](OC(C)(C)C)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2504860 UFJMOCVIPRJMLW-BTYIYWSLSA-N 411.498 4.572 0 40 HJAB Nc1c(-c2ccc(F)cc2)cnn1-c1ccc(Cc2ccc(Cl)cc2Cl)nn1 2508498 OYXJLGCAUQIFBZ-UHFFFAOYSA-N 414.271 4.948 0 40 HJAB aggregator CCOC(=S)SCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 3199974 UTAPERXSJDJQRV-UHFFFAOYSA-N 417.375 4.566 0 40 HJAB aggregator COc1cccc(/C=C/C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 3276081 UAMBNEXRYAWHPV-VMPITWQZSA-N 413.779 4.563 0 40 HJAB O=C(O)CCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 4141006 UIZUUVXQIBFHTF-RWRBZCLOSA-N 424.447 4.953 0 40 HJAB CCOc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1 4200728 LKWGGWJEYJXRKG-UHFFFAOYSA-N 411.508 4.558 0 40 HJAB Cc1ccccc1OCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 4384985 BKINXBICAOWKTF-UHFFFAOYSA-N 405.542 4.663 0 40 HJAB aggregator CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(C(=O)Nc2nccs2)c1 4616459 WJUJITMVLXEIDU-HNNXBMFYSA-N 409.511 4.926 0 40 HJAB O=C([C@H]1CCCN(CCCc2ccccc2)C1)N1CCC(Cc2ccccc2)CC1 4745297 ODUNYMWXZWSHFD-SANMLTNESA-N 404.598 4.813 0 40 HJAB CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@H]1c1ccc(C)cc1 4816943 OSQHJABCGBRNHV-SFTDATJTSA-N 404.514 4.853 0 40 HJAB CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cccs3)N2C1=O 5065976 ZJLFXPOCNWXOIW-CRAIPNDOSA-N 412.536 4.530 0 40 HJAB COc1ccc(N(C(=O)c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 5884208 XPGKYPQBYKKHMV-UHFFFAOYSA-N 415.898 4.693 0 40 HJAB Cc1ccc(CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3)n2C)cc1 6300178 KXIATOJZXVACSS-CQSZACIVSA-N 400.935 4.560 0 40 HJAB O=C(O)c1sc2cc(-n3c(S)nnc3-c3ccc(F)cc3)ccc2c1Cl 6829155 PNSKQUARDFXFAX-UHFFFAOYSA-N 405.863 4.928 0 40 HJAB in-vitro CCOc1ccc(C(=O)CN(C2=NCCCCC2)c2ccc(OC)cc2OC)cc1 6870317 PZIWNAGIVCUIHF-UHFFFAOYSA-N 410.514 4.764 0 40 HJAB CCc1ccc(N2C(=O)C3=C(C2=O)[C@@H](c2ccncc2)Nc2ccccc2S3)cc1 7496281 BCRFPDCPAYEYNN-OAQYLSRUSA-N 413.502 4.730 0 40 HJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1ccc2c(c1)OCCCO2 7501297 RYXOYUITQBBNRS-AWEZNQCLSA-N 414.552 4.769 0 40 HJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1cccc2ccccc12 7759286 LUNSHKJCHCWPPH-UHFFFAOYSA-N 407.857 4.581 0 40 HJAB CCCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)cc1 7881906 WFEZCOKEUOYCEQ-FQEVSTJZSA-N 422.525 4.588 0 40 HJAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 8249700 KFXOKPWUNDJDHX-KRWDZBQOSA-N 404.510 4.611 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 8286683 CSUYCRILGZIPCL-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(C[C@H](C)c3ccccc3)s2)c1 9196860 CHDBTQLZKUVUAL-HNNXBMFYSA-N 408.527 4.731 0 40 HJAB OCc1cnc(SCc2ccc(Cl)cc2Cl)n1Cc1ccc2c(c1)OCO2 9650441 ZSFSUOUIHREKGI-UHFFFAOYSA-N 423.321 4.752 0 40 HJAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(NC(=O)c3cc(C)oc3C)n2)cc1 9865027 XSBZLVWBFMGIMG-CYBMUJFWSA-N 411.527 4.729 0 40 HJAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)c1ccccc1Br 10448083 VQSWIGMMNYSDJL-GFCCVEGCSA-N 401.308 4.574 0 40 HJAB CC(=O)c1ccc(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 10844647 LQEUGIRKSFYAMH-UHFFFAOYSA-N 405.420 4.559 0 40 HJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CC1 11240330 FUIQEHJTPVFJPK-UHFFFAOYSA-N 415.324 4.654 0 40 HJAB Cc1cc(OCC(=O)N2CCc3ccccc32)c2c(-c3ccccc3)cc(=O)oc2c1 11866518 LRPJEHMEZZUHLG-UHFFFAOYSA-N 411.457 4.737 0 40 HJAB Cc1cccc(-n2ccnc2S[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1 12520586 JYUIBJCGIUFKMK-HXUWFJFHSA-N 404.495 4.949 0 40 HJAB CCN1CCN(c2ccc(NC(=O)CCCc3c[nH]c4ccccc34)cc2C)CC1 12527676 BSUBCUFCOQNKGL-UHFFFAOYSA-N 404.558 4.580 0 40 HJAB Cc1c(C(=S)Nc2ccc(C(=O)O)cc2)c2ccccn2c1CCc1ccncc1 12534120 PLZOKALPVKCVDG-UHFFFAOYSA-N 415.518 4.914 0 40 HJAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)o2)cc1 12803529 ALCDGDXKAIURJU-GJZGRUSLSA-N 409.511 4.594 0 40 HJAB O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccccc1SCc1ccccc1 12906514 NARUDVGMGIEMLO-UHFFFAOYSA-N 418.440 4.798 0 40 HJAB Cc1nc([C@@]2(O)CCCN(CC(C)C)CC2)sc1CCOc1ccc(F)cc1 19705443 LIGQEHHEFSYMRR-JOCHJYFZSA-N 406.567 4.542 0 40 HJAB Cc1cccc(C(C)C)c1NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 20063203 UNEAIAHOIURHCR-UHFFFAOYSA-N 420.534 4.933 0 40 HJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(I)cc2)c1 20453979 PBAWERKRUJJTCO-CQSZACIVSA-N 409.267 4.622 0 40 HJAB COc1ccc(C2=NC3(CCN(C(=O)Nc4cccc(C)c4)CC3)N=C2SC)cc1 20578367 GNTIGKYNPRYXRX-UHFFFAOYSA-N 422.554 4.592 0 40 HJAB Cc1ccc([C@@H](NCc2nc3ccc(Cl)cc3n2CCO)c2cccs2)cc1 25139236 OPDVMGASKZRNRL-JOCHJYFZSA-N 411.958 4.931 0 40 HJAB O=c1[nH]c(CN2CCc3ccccc3C2)nc2cc(-c3ccc(Cl)cc3)sc12 25573182 BQRCZFMEDYKJAU-UHFFFAOYSA-N 407.926 4.863 0 40 HJAB CCn1c(SCc2ccc(F)cc2)nnc(Nc2cccc(C(F)(F)F)c2)c1=O 28538992 TUULMOIXUGCUKU-UHFFFAOYSA-N 424.423 4.852 0 40 HJAB COc1ccc([C@H](C)NC(=O)c2sc3ncccc3c2-n2cccc2)cc1OC 33298003 AQFGOGZHKZGFLV-AWEZNQCLSA-N 407.495 4.595 0 40 HJAB COc1ccc(NC(=O)COc2ccc(C(C)C)cc2Br)c(OC)c1 40942571 HABKYSXPVRGSKR-UHFFFAOYSA-N 408.292 4.607 0 40 HJAB O=C(NC1CCCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 44846555 KOUJRTNITNBCIW-UHFFFAOYSA-N 406.935 4.593 0 40 HJAB Cc1occc1C(=O)Nc1nc(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cs1 48344710 QKZCSOKEWYNLRV-AWEZNQCLSA-N 423.538 4.596 0 40 HJAB COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 57486692 OWIJKXSTBWCXFM-UHFFFAOYSA-N 408.845 4.506 0 40 HJAB CCCCC1CCC(NC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)CC1 65523163 IXMPUSYPYIMVMT-UHFFFAOYSA-N 404.551 4.890 0 40 HJAB Cc1cc2nc(SCC(=O)Nc3ccccc3C(C)C)n(CC(C)C)c(=O)c2[nH]1 67237880 YQGMKLOJOHKZFG-UHFFFAOYSA-N 412.559 4.543 0 40 HJAB CC(C)(C)c1nc(CN2CCC([C@H]3CCCCCN3C(=O)c3ccccc3)CC2)no1 71889317 YGMZNORVPACQEK-OAQYLSRUSA-N 424.589 4.664 0 40 HJAB O=C(c1ccncc1)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359518 GNNQVBDYRMZBLN-KRWDZBQOSA-N 412.415 4.577 0 40 HJAB Cc1c(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)sc2ccc(F)cc12 84067786 DJBRMPRRQPJNHU-UHFFFAOYSA-N 421.453 4.887 0 40 HJAB CC(C)c1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@@H]2CCOC(C)(C)C2)cc1 96117049 NLNFFYWVWMJXFG-VQIMIIECSA-N 415.559 4.617 0 40 HJAB COc1cccc(N2C(=O)C[C@@H](c3cn(Cc4ccccc4)c4ccccc34)C2=O)c1 100750799 WQZMFCZDRSEDAU-QFIPXVFZSA-N 410.473 4.745 0 40 HJAB biogenic CCOc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1OC 102606854 RIMSCSPMGBPCQV-GAJHUEQPSA-N 416.481 4.751 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 223062578 SXHXMCCACGLDMM-RBUKOAKNSA-N 414.977 4.831 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 223094679 NPBVKWULMRUTAH-FQEVSTJZSA-N 412.599 4.562 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 223167645 KTBWJVHZYYAPOR-QHCPKHFHSA-N 424.585 4.911 0 40 HJAB O=C(NCCOc1ccccc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1 223414816 WKBZXEYZYWJKQK-UHFFFAOYSA-N 420.940 4.707 0 40 HJAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1)c1ccccc1 224140342 MYHSNERFFOVAJY-QHCPKHFHSA-N 422.550 4.701 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(C)cc(C)c3)c2)cc1 224143955 VQFRIUOVDIIDRL-UHFFFAOYSA-N 408.523 4.689 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCC3=CCCCC3)c2)cc1 224400054 ZWSREKQCYQQTRU-UHFFFAOYSA-N 418.946 4.679 0 40 HJAB O=C(CCc1ccccc1Br)NCc1cncc(-c2cccs2)c1 225665045 VLDUQYHYDWGREP-UHFFFAOYSA-N 401.329 4.822 0 40 HJAB CCC[C@H]1O[C@H]2c3ccc4c(c3OC(C)(C)[C@@H]2C[C@H]1C(=O)OCC)OC(C)(C)C4 257219137 DFTKIROWQVVFOE-MLYOOKFZSA-N 402.531 4.997 0 40 HJAB O=C(N1CCOC[C@@H](Cc2cccc3cnccc23)C1)C1(c2ccccc2)CCCC1 257344628 ZYBKCSVLJQOQOX-NRFANRHFSA-N 414.549 4.764 0 40 HJAB O=C(O)/C(=C/c1cc2c(cc1Br)OCO2)Sc1nc2ccccc2o1 408631636 ADGJLNRKJDVCNQ-UUASQNMZSA-N 420.240 4.537 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C 408701424 XSUAVNPUKKXZBV-UHFFFAOYSA-N 420.962 4.630 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 409122119 ZHZZHVJJTMNRAX-UHFFFAOYSA-N 408.523 4.635 0 40 HJAB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(Cl)c1OC 409209394 FDOHSDNVLPXEBM-ATVHPVEESA-N 403.887 4.636 0 40 HJAB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccncc1 409345159 KQLNUQUOOMAVTG-STZFKDTASA-N 418.474 4.910 0 40 HJAB Cc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)OC3CCCC3)CC2)oc1C 2056225479 NWJANNJMRJBFKK-HXUWFJFHSA-N 402.535 4.682 0 40 HJAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cccc2ncccc12 1049511 YPIJYIUVYUEISC-MQSUGXTHSA-N 402.453 4.631 0 40 HJAB Cc1nn(C(=O)c2ccc(COc3ccc(Cl)cc3)o2)c(C)c1Br 1083492 DZQJGTWUWYFFHT-UHFFFAOYSA-N 409.667 4.776 0 40 HJAB O=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(c2ccccc2)CC1 1361100 XGJXAVDRYJOJQC-UHFFFAOYSA-N 401.535 4.714 0 40 HJAB O=C(NCc1ccc(Cl)cc1)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 1391111 SMWXDEMANUEENA-UHFFFAOYSA-N 421.711 4.787 0 40 HJAB Cc1cc(=O)oc2c(C)c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 2092057 HEFISVMZNSPVPE-FQEVSTJZSA-N 423.465 4.581 0 40 HJAB biogenic CC[C@@H](C)COC(=O)c1c(N)n([C@@H](C)c2ccccc2)c2nc3ccccc3nc12 2220858 PGKNGIDFLQGFTC-CVEARBPZSA-N 402.498 4.979 0 40 HJAB CC(C)c1nc2sc3c(NC[C@@H]4CCCO4)ncnc3c2c2c1COC(C)(C)C2 2296481 KIXLQVNFMRAEPB-ZDUSSCGKSA-N 412.559 4.805 0 40 HJAB O=C(Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1)C1CCCCC1 2403990 JRWLYLSFDBVWPS-UHFFFAOYSA-N 406.434 4.717 0 40 HJAB biogenic CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2431759 GZUCGLBYQLLTOL-XMSQKQJNSA-N 403.478 4.641 0 40 HJAB Cc1c(Cl)cccc1NC(=O)CSc1ncnc2c1cnn2Cc1ccccc1 2451599 GXBRBZAVHRIVFH-UHFFFAOYSA-N 423.929 4.567 0 40 HJAB CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1cccc(Br)c1 2721897 MYVTTXRBLPSOQX-UHFFFAOYSA-N 418.316 4.916 0 40 HJAB COc1ccc(-n2c(S[C@@H]3CCCCC3=O)nc3ccccc3c2=O)cc1Cl 3406385 JNVUGCHFRBAMIC-LJQANCHMSA-N 414.914 4.652 0 40 HJAB COc1ccc(CNC[C@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 3412345 OCOYTIKNDKJCNO-QHCPKHFHSA-N 405.538 4.551 0 40 HJAB Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)c3cc(C)ccc3C)c3ccccc32)c1 4556285 KNFNRNMYIYLUHP-MHZLTWQESA-N 413.517 4.928 0 40 HJAB COc1ccc(Nc2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cs2)cc1 4674570 RLFMPCOUBPSGRX-UHFFFAOYSA-N 407.539 4.990 0 40 HJAB CC(C)c1ccc(NC(=O)CCCC(=O)NCc2cccc(Br)c2)cc1 4715766 ZRDKCWFCEMNGJD-UHFFFAOYSA-N 417.347 4.998 0 40 HJAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccc(F)c(F)c1F 5185823 JTKALAUKMSARTQ-UHFFFAOYSA-N 411.383 4.671 0 40 HJAB O=c1ccc(-c2cccs2)c2n1C[C@H]1C[C@@H]2CN(Cc2cc3ccccc3o2)C1 5433829 GDLUKZBMRQOGHO-FUHWJXTLSA-N 402.519 4.942 0 40 HJAB biogenic,in-vitro CCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 6623452 KJOXQIVYNCVAHW-UHFFFAOYSA-N 416.449 4.580 0 40 HJAB CN(C)C(=O)[C@@H](OC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1 6847310 JSDQORDETAWEQW-QFIPXVFZSA-N 416.502 4.950 0 40 HJAB O=c1c2cc(-c3ccccc3)sc2ncn1Cc1cc(Cl)cc2c1OCOC2 7005640 BIEIZQLDJQJRAK-UHFFFAOYSA-N 410.882 4.693 0 40 HJAB COc1ccc(C(=O)[C@@H](C)Sc2nnc([C@@H](C)Oc3ccccc3F)o2)cc1 7137661 PMFDEGVZSIRZBL-CHWSQXEVSA-N 402.447 4.721 0 40 HJAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1ccc(F)cc1 7544719 QKLYTKKUKAMGEI-QGZVFWFLSA-N 403.432 4.883 0 40 HJAB C[C@H](Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)C(=O)NC1CC1 7654389 WUDXXOTXPAMWRK-ZDUSSCGKSA-N 412.540 4.833 0 40 HJAB COc1ccc(-c2nc(NC(=O)c3cccc(N4CCCC4=O)c3)sc2C)cc1 7921640 OBSJEULPILUQRM-UHFFFAOYSA-N 407.495 4.506 0 40 HJAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C)c(Cl)c2)cc1C 8433506 QZUAJCSLSHUWBR-UHFFFAOYSA-N 416.905 4.556 0 40 HJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1F)c1ccccc1F 8810669 KYBAXJYLHDSQIK-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB Cc1ccc(OCC(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c(C)c1 9226811 RKMIRZZMLJMEMC-UHFFFAOYSA-N 419.959 4.767 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nc2cc(Br)c(C)nc2[nH]1 9307996 WLCXGTIFSRDLCX-UHFFFAOYSA-N 419.348 4.630 0 40 HJAB S=C(Nc1ccc(I)cc1)N1CCCC[C@@H]1c1cccnc1 9405001 QOTVPVVMMCWYHH-MRXNPFEDSA-N 423.323 4.610 0 40 HJAB COc1ccc2nc(-c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3)cn2n1 11693479 MDGTVKKYSPOENP-UHFFFAOYSA-N 412.371 4.676 0 40 HJAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccc(F)c1 12322602 WQQUDVLGICJFTN-UHFFFAOYSA-N 414.502 4.739 0 40 HJAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1ccc(N2CCOCC2)cc1 12524935 QJUPMBWAEPIFGA-UHFFFAOYSA-N 411.505 4.784 0 40 HJAB CCc1ccccc1Nc1nnc(S[C@H](C)C(=O)N2CCc3ccccc3C2)s1 12537486 FGHPTFLLVIHHLS-OAHLLOKOSA-N 424.595 4.910 0 40 HJAB COc1ccc(Nc2nnc(SCCC(=O)Nc3ccccc3F)s2)cc1 12552583 RYYJBVBUAKMWPY-UHFFFAOYSA-N 404.492 4.550 0 40 HJAB CCN(Cc1ccccc1)C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 12555573 SDDASZCPUDMKEB-UHFFFAOYSA-N 421.497 4.925 0 40 HJAB CC(C)c1ccccc1NC(=O)[C@H](C)Sc1nnnn1-c1ccc(Cl)cc1 12778601 KGMDQUIIORSRMW-ZDUSSCGKSA-N 401.923 4.558 0 40 HJAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CCCOc1ccc(C(C)(C)C)cc1 13071237 QSWAJVQYEQPIDI-NRFANRHFSA-N 411.542 4.832 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)c1 13512421 LUEDZZAVDWTYCT-UHFFFAOYSA-N 422.510 4.835 0 40 HJAB CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 14155825 RGFOHOUNKOQIFJ-UHFFFAOYSA-N 408.951 4.678 0 40 HJAB Cc1ncc(-c2ccncc2C)c([C@@H]2CCCCN2C(=O)c2cc(C(C)C)no2)n1 19239745 IDEAVDFAUZFDGM-FQEVSTJZSA-N 405.502 4.634 0 40 HJAB O=C(C1CC1)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19294065 XMUBUXRSAJQWGS-SFHVURJKSA-N 417.488 4.537 0 40 HJAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 19525651 MSDNVNARYFPACS-HXUWFJFHSA-N 422.504 4.746 0 40 HJAB COc1ccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CCN(CC4CCCC4)C[C@H]23)cc1 19557688 KMZHJCIZVYWTFO-TWJOJJKGSA-N 418.581 4.816 0 40 HJAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2C(=O)Cc2c(C)noc2C)n1 19691940 BCYGHFMQJWBTCT-HSZRJFAPSA-N 407.489 4.631 0 40 HJAB O=S(=O)(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccccc1C(F)(F)F 23024613 JUNHYEWXDQBDSN-KRWDZBQOSA-N 415.433 4.974 0 40 HJAB O=c1cc(CNc2ccc(OCc3cccc(F)c3)c(Cl)c2)nc2sccn12 26800177 GPOSNWBHOJKSRS-UHFFFAOYSA-N 415.877 4.740 0 40 HJAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(COc2cccc(Cl)c2Cl)o1 27984839 CVOZSNNGWAALLT-UHFFFAOYSA-N 420.248 4.824 0 40 HJAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2cccs2)C1 32988695 CVIGMCQVVALQMI-FUHWJXTLSA-N 402.947 4.617 0 40 HJAB COc1ccc(OC)c(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c1 33685546 ZQNLZEGXVDWDAC-UHFFFAOYSA-N 410.495 4.707 0 40 HJAB Cc1oc2ncn(Cc3ccccc3)c(=O)c2c1C(=O)Nc1cccc(Cl)c1C 35672041 DJXFDCCNVOMMMA-UHFFFAOYSA-N 407.857 4.560 0 40 HJAB Cc1cccc(CSCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 39750542 XABZCCVGLYDIBJ-UHFFFAOYSA-N 417.018 4.910 0 40 HJAB Cc1cccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCC(C)CC3)o2)c1 39843973 OCFTXIHJSNDAKR-UHFFFAOYSA-N 414.502 4.858 0 40 HJAB COc1ccc(Cc2nnc(S[C@H](C)c3nnc(-c4ccc(C)cc4)o3)o2)cc1 39982371 AXXLMXHGVKUJHE-CQSZACIVSA-N 408.483 4.881 0 40 HJAB O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccc2c(c1)OCCCO2 40090203 CTPXERUTYRUPJS-UHFFFAOYSA-N 414.914 4.730 0 40 HJAB O=C(Nc1ccccc1NC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1 40091076 MZNJLVCGAFMMIV-UHFFFAOYSA-N 415.371 4.527 0 40 HJAB Cc1ccc(CN2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccc(C)cc43)CC2)cc1 44855226 AOPDXRLFFAOOBM-QHCPKHFHSA-N 406.570 4.934 0 40 HJAB Cc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 57477784 AXPJBDKQIPVHCZ-UHFFFAOYSA-N 416.422 4.937 0 40 HJAB CCCCn1c(SCC(=O)N(C)c2cccc(Cl)c2)nc2ccsc2c1=O 57478667 HPAIJSBSWVLKLH-UHFFFAOYSA-N 421.975 4.667 0 40 HJAB COc1ccc(Cn2c(SCc3ccc(F)cc3)nc3ccsc3c2=O)cc1 71327626 CJWORYOGJPBUJF-UHFFFAOYSA-N 412.511 4.946 0 40 HJAB Cc1cc2oc(=O)cc(CNc3cc4c(cc3Cl)NC(=O)CO4)c2cc1C(C)C 71887070 MBMORQBMEJBNNV-UHFFFAOYSA-N 412.873 4.821 0 40 HJAB O=C(c1ccncc1)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358734 YBGZVJCQIJJVQS-KRWDZBQOSA-N 412.415 4.577 0 40 HJAB Cc1cc(NCCCNc2ccnc3cc(Cl)ccc23)nc(N2CCCCC2)n1 84742146 OIYQFDLLDHDDKO-UHFFFAOYSA-N 410.953 4.891 0 40 HJAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccc(OC)cc3)CC2)c2ccccc21 96053045 ICSQZDCMHDMWDQ-JOCHJYFZSA-N 420.597 4.975 0 40 HJAB CCOc1ccc2c(c1)s/c(=N\C(=O)c1cccc(C(F)(F)F)c1)n2CCOC 100873223 FBSWFTUDKZYEFZ-CLCOLTQESA-N 424.444 4.508 0 40 HJAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1OC 106698278 SJKWTOWFKRCMHF-UNOMPAQXSA-N 401.459 4.860 0 40 HJAB CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 107951007 VSMZIQKNEQXQRQ-UHFFFAOYSA-N 424.522 4.551 0 40 HJAB CCN(CC)C(=O)CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 118935588 KOBHUXKPUKVIOK-FYVXYBBASA-N 401.591 4.772 0 40 HJAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N1CCC(Cc2ccccc2)CC1 139351778 JKIHJJNHPUGNTC-HSZRJFAPSA-N 412.533 4.688 0 40 HJAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1Cl 220362783 IAYJGJDJWLDDBE-HNNXBMFYSA-N 408.951 4.565 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 222553912 FCUFTNKFTUNCEZ-OAQYLSRUSA-N 400.950 4.523 0 40 HJAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccc(Cl)cc1 224159680 HZXLXJLPETUFOR-UHFFFAOYSA-N 411.841 4.909 0 40 HJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 224194776 MYPNZDDRULSPKZ-PKTZIBPZSA-N 411.534 4.753 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(CC)cc1 224806385 GNNZXBDKDODCFN-SFHVURJKSA-N 414.977 4.779 0 40 HJAB NC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 226341281 XUVVLPFTBLBAQE-AATRIKPKSA-N 401.087 4.833 0 40 HJAB Cc1cc(N)cc(Br)c1NC(=O)COc1ccc(Cl)cc1Cl 227145422 YBYUDFDLQURGJI-UHFFFAOYSA-N 404.091 4.664 0 40 HJAB C[C@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 245263862 BHIBQOONCFCENX-DLUQJKKWSA-N 401.522 4.510 0 40 HJAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(C[C@@H]2CC=CCC2)C1 248132328 XOXJGZHJMGRMII-SLSDLSHTSA-N 403.570 4.929 0 40 HJAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4cc5ccccc5[nH]4)C3)o2)cc1 257250617 JNHVVJAQPUOXNH-IBGZPJMESA-N 415.493 4.775 0 40 HJAB O=C1/C(=C\c2ccncc2)N=C(c2ccccc2)N1c1ccc(Br)cc1 408842220 JAXFVQLHGLJPQA-XMHGGMMESA-N 404.267 4.679 0 40 HJAB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc(Br)c1O 408989776 LZTHGHRWOXKUBP-UHFFFAOYSA-N 421.316 4.810 0 40 HJAB COCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)C1=O 409136108 SCZGNMQIRBMNFQ-KGENOOAVSA-N 406.507 4.681 0 40 HJAB COC(=O)c1ccc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)o1 513243646 JQBKQXAVIUOTCL-UHFFFAOYSA-N 403.356 4.682 0 40 HJAB CN(Cc1ccccc1)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 674002 YDKLOESHRIVDRB-MJGOQNOKSA-N 414.431 4.816 0 40 HJAB O=C(NC1CCCCC1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 780539 KYSJHCGIYDMTPX-DEOSSOPVSA-N 408.567 4.566 0 40 HJAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(OC(=O)c2ccco2)cc1 992969 FVVHLXGSEHBGTM-UHFFFAOYSA-N 419.216 4.845 0 40 HJAB CC(=O)c1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1 1105122 HUEYLWGTHQVEAF-QHCPKHFHSA-N 420.490 4.509 0 40 HJAB CCc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(OC)c3)C3CCCC3)cc2c1 1359299 CPLHZFJWJCPOIU-UHFFFAOYSA-N 404.510 4.684 0 40 HJAB COc1ccccc1/C=C1/SC(=O)N(CNc2cccc(Br)c2)C1=O 1424141 BDDADOZCAVHZKE-CXUHLZMHSA-N 419.300 4.564 0 40 HJAB CCCn1nc(C(=O)Oc2ccc(Oc3ccccc3)cc2)c2ccccc2c1=O 3294230 VXSHTJXYWWGFGG-UHFFFAOYSA-N 400.434 4.818 0 40 HJAB COc1ccc(-n2c(SCc3ccccc3F)nc3ccccc3c2=O)cc1OC 3360675 LAMCUQNAZPRSTF-UHFFFAOYSA-N 422.481 4.834 0 40 HJAB O=C(CN1C(=O)c2cccc3cccc1c23)NCCSCc1ccccc1Cl 3644805 AIWUUKDLKOTWAL-UHFFFAOYSA-N 410.926 4.503 0 40 HJAB CCOC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2c1[nH]c1ccccc21 3819618 NVFAURZVYMEWBH-UHFFFAOYSA-N 424.447 4.784 0 40 HJAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 4585815 FOUSQTYMOMNNIM-UHFFFAOYSA-N 412.945 4.571 0 40 HJAB Cc1cc(C)c(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)c(C)c1 4648703 SLYAQMQQHLPHMT-UHFFFAOYSA-N 411.527 4.922 0 40 HJAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccccc3)c3cc(Cl)ccc32)cc1 4784327 NWRUGLRXAIEOPF-DEOSSOPVSA-N 405.881 4.656 0 40 HJAB CCOc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)cc1 4933825 MZSAQUXDFKGBAE-QFIPXVFZSA-N 420.509 4.981 0 40 HJAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1C 5477845 DFHXXGXLCFKCNY-UHFFFAOYSA-N 416.934 4.570 0 40 HJAB O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCSCC1 6527065 WWPUOCDKPOJPAZ-UHFFFAOYSA-N 406.467 4.731 0 40 HJAB CCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1 6597449 AZYXRVIOXHKWJM-GOSISDBHSA-N 410.514 4.646 0 40 HJAB O=C(COC(=O)COc1ccc2ccccc2c1)Nc1c(Cl)cccc1Cl 6886496 UTGAHMBNYSKBKZ-UHFFFAOYSA-N 404.249 4.707 0 40 HJAB C#CCOc1ccccc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)O 7603237 HVFXJJWHXWCXEU-ATVHPVEESA-N 412.854 4.620 0 40 HJAB C[C@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1cc2ccccc2o1 7692187 QIBSNKYXXMJWCI-HNNXBMFYSA-N 418.522 4.860 0 40 HJAB CCOc1cc(/C=C(\Cl)c2nc3ccccc3o2)ccc1O[C@H](C)C(=O)N(C)C 7914590 LNWHCFZGWWBTLV-IZCBMXNHSA-N 414.889 4.819 0 40 HJAB CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 8324302 ZTSCNYSDYZSWHP-UHFFFAOYSA-N 416.547 4.621 0 40 HJAB Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1NC(=O)c1ccco1 8327859 FBSHDLPBFAJZQR-UHFFFAOYSA-N 414.461 4.802 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)CCc2c(C)nc(SC)nc2C)cc1 8776050 KYPNEHPLARHXON-OAQYLSRUSA-N 413.587 4.900 0 40 HJAB Cc1ccc(N2C[C@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)cc1C 9320945 LXIXOZFPYGDMDG-OAHLLOKOSA-N 401.388 4.893 0 40 HJAB O=C(NCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1 9355913 ORNXGJJAHHSLBL-UHFFFAOYSA-N 415.518 4.513 0 40 HJAB CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1 9827881 FSNVRSHWADDQDY-UHFFFAOYSA-N 422.506 4.822 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2C)cc1 10112449 JJDKXMVEAYALKK-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2ccccc2F)no1 11614355 NBXFFSBKASBFFD-IBGZPJMESA-N 424.815 4.940 0 40 HJAB COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(F)c(F)c4)c3)cn2n1 12441254 NEZBBCOTZRZACZ-UHFFFAOYSA-N 414.799 4.589 0 40 HJAB CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 12547695 YPWKFAMTBVJYEM-UHFFFAOYSA-N 423.875 4.978 0 40 HJAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)c1ccc2ccccc2c1 12569322 HRPYVCGUFNJJBA-HXUWFJFHSA-N 404.447 4.710 0 40 HJAB CCn1c(COc2cccc(C(F)(F)F)c2)nnc1[S@](=O)Cc1ccc(C)cc1 12860951 CTBJQQMEMHHOTG-LJAQVGFWSA-N 423.460 4.512 0 40 HJAB COc1ccc([C@H](NC(=O)COc2ccc(Br)cc2Cl)C2CC2)cc1 12943232 DRZQWXHBMZKVGI-LJQANCHMSA-N 424.722 4.757 0 40 HJAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)c3c2C(=O)C[C@H]3C)c(Br)c1 12996563 BHROIDAAVOIZBG-NEPJUHHUSA-N 420.278 4.993 0 40 HJAB C[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)N(C)c1ccccc1 13164444 ABNQJCMTAHXRKF-LBPRGKRZSA-N 418.316 4.643 0 40 HJAB Cc1ccc(C(=O)c2cc3c(cc2NC(=O)c2ccc(Cl)cc2)OCCO3)cc1 13945506 FWZMZUILWPNWEA-UHFFFAOYSA-N 407.853 4.903 0 40 HJAB O=C(CCC(=O)c1ccccc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 18110645 LZLKJJYCLVTCSC-UHFFFAOYSA-N 409.489 4.819 0 40 HJAB C[C@@H]1Cc2cc(CN3CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 19498191 SWRULZWHTDBBPH-DRMXPCRNSA-N 421.585 4.521 0 40 HJAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C[C@H]2C=CCC2)C1 19591060 FIBODCOWCPLBKL-UQBPGWFLSA-N 422.594 4.669 0 40 HJAB COc1ccc(CC(=O)N2CCC[C@H]2c2cc(-c3ccc(OC)cc3)cc(C)n2)cc1 19691348 PINMZIDYFKMGIN-VWLOTQADSA-N 416.521 4.980 0 40 HJAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2ccnn2C)nc2ccccc12 19716528 HAQCQGLOQYJRSG-QFIPXVFZSA-N 402.473 4.998 0 40 HJAB Cc1nn2c(nnc3c(=O)n(-c4ccc(C(C)C)cc4)ccc32)c1-c1ccc(F)cc1 19821604 HKBCRMOKCULRKY-UHFFFAOYSA-N 413.456 4.666 0 40 HJAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 20108437 YCUIORIBDXTYPP-UHFFFAOYSA-N 414.914 4.630 0 40 HJAB CCc1ccc(CN2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 20192294 NLHNAFQMEUFEJE-SANMLTNESA-N 404.598 4.942 0 40 HJAB CCc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCC[C@H](C)C2)cc1 20381459 KDAITILUCFXJPP-KRWDZBQOSA-N 424.566 4.875 0 40 HJAB Cc1nc(N2CCC(Cc3ccccc3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 20673050 YUEHTYOVTIVBSI-HXUWFJFHSA-N 401.510 4.750 0 40 HJAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NC3CCN(C(C)C)CC3)cc12 21903896 XZPFFKOMBJAWQK-UHFFFAOYSA-N 416.978 4.651 0 40 HJAB CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@@H]1CCCN(c2ccc(C)cc2)C1 22255795 MRRWKDUUCNTNKQ-OAQYLSRUSA-N 418.541 4.619 0 40 HJAB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2C)cc1 23154060 PNELEMPHWPROFP-UHFFFAOYSA-N 416.524 4.508 0 40 HJAB Cc1cc2oc(=O)cc(COC(=O)c3c(C)nn(CC(C)C)c3Cl)c2cc1Cl 23584505 NYWMISXJMYQNFX-UHFFFAOYSA-N 423.296 4.926 0 40 HJAB Cc1ccc(-c2nn(CN3CCOCC3)c(=S)n2-c2ccccc2C(C)C)cc1 25338256 AXDMZXBNWSJNDN-UHFFFAOYSA-N 408.571 4.792 0 40 HJAB Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(C)n1Cc1ccccc1 27064362 HYHDBIANBKKVEJ-UHFFFAOYSA-N 401.554 4.548 0 40 HJAB O=C(Cc1ccc(Cl)cc1)Nc1nn(Cc2ccccc2F)cc1Br 28573834 XHLUFHUMJSAMOV-UHFFFAOYSA-N 422.685 4.668 0 40 HJAB O=C(c1ccccc1OC[C@H]1CCCO1)N1CCC(c2c[nH]c3ccccc23)CC1 32899606 UHQVVYJXNUAHOL-LJQANCHMSA-N 404.510 4.746 0 40 HJAB CC(=O)N[C@H](CC(=O)OCc1csc(-c2ccccc2)n1)c1ccccc1Cl 32922370 YZDMZKIERLQJGM-LJQANCHMSA-N 414.914 4.774 0 40 HJAB O=C(NCc1ccccc1COCc1ccccc1)c1ccc(C(F)(F)F)nc1 32925125 AAZLBDTYUWDATO-UHFFFAOYSA-N 400.400 4.747 0 40 HJAB CCc1cc(C(=O)N2CCC(C)CC2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621672 ZVFJQFSOWAOHDW-UHFFFAOYSA-N 406.505 4.872 0 40 HJAB Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cc(C)cc(C)c2)cc1 38652845 HIMSAUTZOSKFKV-UHFFFAOYSA-N 414.552 4.751 0 40 HJAB C[C@H]1CC[C@H]([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 42888652 IRRHFODGOMSPEE-FIRKVUNCSA-N 415.662 4.921 0 40 HJAB CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(C)cc2C)C1 44803679 PCPXBNOGXXBYQZ-GOSISDBHSA-N 404.514 4.500 0 40 HJAB CCN(CC)Cc1ccc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)o1 48299939 AGTHXGKYOPQBMG-SFHVURJKSA-N 419.525 4.865 0 40 HJAB CCn1ccc2cc(NC(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)ccc21 57985143 SAJUXKZUGVBQNQ-UHFFFAOYSA-N 422.488 4.672 0 40 HJAB O=C(N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)C12CC3CC(CC(C3)C1)C2 58162958 QOMWWDRQXJVYFC-FOGJEEJESA-N 409.505 4.798 0 40 HJAB COc1ccccc1[C@H]1SCC(O)=Nc2c1c(=O)[nH]n2C1CCCCCCC1 95476622 PHNNAKXQUKHEMU-LJQANCHMSA-N 401.532 4.895 0 40 HJAB CCOC(=O)C(=CNc1nc(-c2ccccc2)c(-c2ccccc2)s1)C(=O)OCC 103550618 STRSPVQBVBQQBS-UHFFFAOYSA-N 422.506 4.899 0 40 HJAB O=C(Nc1cccc(F)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 197514288 KPNAINORXKDLEY-HSZRJFAPSA-N 406.482 4.852 0 40 HJAB O=C(Nc1ccc(F)cc1F)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 216382859 PNPKEXUPMKLRKY-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 222497418 BOLBPSTXOYYDEB-HYBUGGRVSA-N 424.585 4.577 0 40 HJAB COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 222932224 NJLWNRPMBNWXFS-YADHBBJMSA-N 406.555 4.509 0 40 HJAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2sccc2C)cc1 223959125 IQKSEDAIABRJPM-RBUKOAKNSA-N 408.552 4.587 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 224074179 HZOGTDOHRBOEGH-JOCHJYFZSA-N 414.977 4.649 0 40 HJAB CCCC[C@@H](CC)CNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 224236672 XPYLWMFNIOWUEH-MRXNPFEDSA-N 408.589 4.519 0 40 HJAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O 224859024 OJNANMURXFWONR-DLBZAZTESA-N 401.944 4.988 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)c1 225170645 KXNAQEYAPUQCSS-FQEVSTJZSA-N 424.560 4.851 0 40 HJAB CCOC(=O)c1cc(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)ccc1Cl 225704751 QWVZOXVLLCDRTA-LJQANCHMSA-N 418.946 4.889 0 40 HJAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225806294 QJXOYQMDYFMRQU-CYBMUJFWSA-N 401.388 4.666 0 40 HJAB COc1cccc(N(C)C(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c1 225910756 DXCWXHDLNRODRX-OAHLLOKOSA-N 407.341 4.877 0 40 HJAB CCOC(=O)c1cc(OC(=O)c2ccc(Cl)cc2Cl)n(-c2ccccc2)n1 408527047 DSGPKVUEKIASKF-UHFFFAOYSA-N 405.237 4.575 0 40 HJAB COC(=O)c1c(NC(=O)CSCc2c(F)cccc2Cl)sc2c1CCC2 408574659 BFHIJPXKGFXBMF-UHFFFAOYSA-N 413.923 4.688 0 40 HJAB CC(C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl 408933025 GSTFKUUNMRNTQJ-YVLHZVERSA-N 405.281 4.874 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2c(C)cc(C)cc2C)cc1 409409990 SITFGOYLACRTHM-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB Cc1cc(C(=O)N2CCN(C)c3ccccc32)nn1-c1ccc(Cl)c(Cl)c1 1125880609 KZZFAICFMBWBTB-UHFFFAOYSA-N 401.297 4.584 0 40 HJAB CCN(CC)CCOc1ccc([C@](O)(Cc2ccc(OC)cc2)c2ccccc2)cc1 607855 KDYQVUUCWUPJGE-MHZLTWQESA-N 419.565 4.894 0 40 HJAB biogenic,in-vitro COc1ccc(NC(=O)CCSc2nnc3scc(-c4ccccc4)n23)cc1 630200 KRMVPQZUYCHFJN-UHFFFAOYSA-N 410.524 4.587 0 40 HJAB CC1CCN(C(=O)c2nn3c(c2Cl)N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)CC1 675013 CGWDNHDJXRMWKN-YPMHNXCESA-N 416.831 4.662 0 40 HJAB Cc1c(NC(=O)c2ccccc2)cc(S(=O)(=O)c2ccc(Cl)cc2)c(O)c1C 719224 HYTQEFUQZONVBR-UHFFFAOYSA-N 415.898 4.748 0 40 HJAB O=C(c1cccc(F)c1)N(Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 1359081 AEBUQXSUWPFCOW-UHFFFAOYSA-N 421.859 4.558 0 40 HJAB O=c1c(-c2nnc(SCc3ccc(Cl)cc3)o2)cccn1Cc1ccccc1 1384890 ZTSBHBIEADMSQQ-UHFFFAOYSA-N 409.898 4.892 0 40 HJAB CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)c4ccc(F)cc4)nc(N)c23)CO1 2228769 LYNPVOQNIXQQPJ-FQEVSTJZSA-N 417.531 4.629 0 40 HJAB COC[C@@H](C)n1c(S[C@H](C)C(=O)c2cccc(Cl)c2)nc2ccccc2c1=O 2665003 QRFPELOWMLTXQO-ZIAGYGMSSA-N 416.930 4.621 0 40 HJAB C[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)nn2-c2ccccc2C(F)(F)F)C1 3292844 SGYNHLQVXFICCS-OAHLLOKOSA-N 414.431 4.825 0 40 HJAB CSc1nnc(-c2sc3cc(C(F)(F)F)cnc3c2-c2cccnc2)n1C 4052989 HHBZCFGIIYGFQZ-UHFFFAOYSA-N 407.446 4.895 0 40 HJAB COc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 4412853 ATLRTHAXFJGNBZ-UHFFFAOYSA-N 409.829 4.569 0 40 HJAB COc1ccc2sc(N(Cc3ccccn3)C(=O)CCOc3ccccc3)nc2c1 5264991 SIFXZHJYESHUQZ-UHFFFAOYSA-N 419.506 4.702 0 40 HJAB COc1ccccc1/C=c1/sc2nc(-c3ccccc3)c(-c3ccccc3)n2c1=O 5285692 UVTUZIDEXZTJBQ-LTGZKZEYSA-N 410.498 4.646 0 40 HJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 5392711 RFNXIROKZGBXAV-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1Cc1ccccc1 5401290 KITQWLOZKYFDLL-UHFFFAOYSA-N 406.555 4.932 0 40 HJAB COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)c1 5688247 YBWIORUJQIYAKC-QHCPKHFHSA-N 413.521 4.804 0 40 HJAB C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)NCC1CCCCC1 5887129 LIWIVSRFJLZWIB-MRXNPFEDSA-N 410.543 4.704 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)COc1ccc(Cl)cc1Cl 6061981 JORTVWLARPBWCJ-UHFFFAOYSA-N 402.661 4.516 0 40 HJAB COc1ccc(C(=O)[C@@H](C)Sc2nnc([C@H](C)Oc3ccc(F)cc3)o2)cc1 6374643 DMMCGGNRJWMLFH-QWHCGFSZSA-N 402.447 4.721 0 40 HJAB COc1ccc(OCCSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 6790095 MCSNWLCFBOPLFI-UHFFFAOYSA-N 407.495 4.766 0 40 HJAB O=C(NC1CC1)c1cccc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)c1 8427871 JINXGCGOQQYHIN-UHFFFAOYSA-N 403.463 4.701 0 40 HJAB COc1ccc(C(C)=O)cc1CSc1nnc(N2CCCCC2)n1-c1ccccc1 8710480 LKJGTLDZELSUDT-UHFFFAOYSA-N 422.554 4.761 0 40 HJAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc21 8959016 OKNKYZZYYZHGOS-UHFFFAOYSA-N 414.933 4.929 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2C)cc1 10315052 JUAVYHBYBKSFPN-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB O=C(O)[C@@H](Sc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)c1ccccc1 12139485 NAKGSUWEQCHTHL-KRWDZBQOSA-N 407.369 4.900 0 40 HJAB NC(=O)c1ccc(N[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 12514578 NXCKYROASJDKMR-LJQANCHMSA-N 413.399 4.596 0 40 HJAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nc2ccccc2[nH]1 12529422 WFQGMFSODOCXLO-HXUWFJFHSA-N 418.884 4.716 0 40 HJAB CSCC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1nc2ccccc2[nH]1 12546427 MVBJPCAAQMDHQS-KDOFPFPSSA-N 417.962 4.903 0 40 HJAB Cc1cc(C)c(NC(=O)CN(C)CCC(=O)Nc2c(Cl)cccc2Cl)c(C)c1 12978489 GSMXVTNDIPLDCV-UHFFFAOYSA-N 422.356 4.818 0 40 HJAB Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccccc1)C3 13634218 KUZKTXRXWPGDDN-GOSISDBHSA-N 400.507 4.638 0 40 HJAB Cc1nn2c(C)c(C(=O)Nc3cccc(Cl)c3)nnc2c1-c1ccc(Cl)cc1 13635610 QUGNKHTYSYINRY-UHFFFAOYSA-N 412.280 4.967 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)CSc2ccc(Br)cc2)cc1 15574600 XIYSIVSQHUBQTG-GOSISDBHSA-N 406.345 4.914 0 40 HJAB CCO[C@@H]1Oc2ccccc2-c2oc(=O)c(-c3cc(=O)oc4cc(C)ccc34)cc21 16687967 MHJBNTYOSNODCP-XMMPIXPASA-N 402.402 4.816 0 40 HJAB CC(C)C(=O)N1CCC(c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)CC1 19085232 DGLCDHIXHDCIFS-UHFFFAOYSA-N 419.504 4.783 0 40 HJAB COc1ccccc1C1=NO[C@@H](CC2(C(=O)Nc3ccc(C)c(C)c3)CCOCC2)C1 19214045 JDECCKVWFOGOFC-HXUWFJFHSA-N 422.525 4.631 0 40 HJAB COc1ccc(Cc2nc3c4c(C)c(C)n(-c5ccccc5Cl)c4ncn3n2)cc1 21801800 NFZBAHRFVXMIFC-UHFFFAOYSA-N 417.900 4.938 0 40 HJAB COc1ccc(Nc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 22072883 UOXKWYVYGOABGF-UHFFFAOYSA-N 403.360 4.985 0 40 HJAB COc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 22075755 UDPCMHLTSCOCSB-NRFANRHFSA-N 415.892 4.890 0 40 HJAB CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(COc2ccc(F)cc2)o1 23537921 ZHZOVLRISRHEHV-UHFFFAOYSA-N 403.837 4.802 0 40 HJAB O=S(=O)(Nc1ccc(Cl)c2cccnc12)c1cccc(OC(F)(F)F)c1 24426203 WNGIAGAWNPOYCQ-UHFFFAOYSA-N 402.781 4.588 0 40 HJAB CC(C)n1c(SCc2cccnc2)nnc1[C@@H]1CCCN(Cc2cccs2)C1 26441099 WUTVHCSTJCFCEX-GOSISDBHSA-N 413.616 4.987 0 40 HJAB Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1)C(C)C 30117232 RJGZZCRQBHNQOL-KXBFYZLASA-N 406.448 4.646 0 40 HJAB Cc1nnc(SCc2ccccc2)n1NC(=O)/C=C/c1ccc(Cl)cc1Cl 30937317 UVEZETBNKSPDIT-CSKARUKUSA-N 419.337 4.969 0 40 HJAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1 31956072 IIMZXZHENFDEAQ-UHFFFAOYSA-N 421.497 4.637 0 40 HJAB O=C(Nc1ccccc1SCc1cc(=O)n2ccccc2n1)c1ccc(Cl)cc1 33026111 CIYVGTIMKKFSLL-UHFFFAOYSA-N 421.909 4.893 0 40 HJAB O=C(CN1CCc2ccccc2C1)N1N=C(c2cccs2)C[C@H]1c1cccs1 35414144 VIBIWNPZPSAQJT-IBGZPJMESA-N 407.564 4.546 0 40 HJAB CC1=C([C@H](C)[C@@H]2NC[C@@H](C)C[C@H]2O)CC[C@@H]2C1=C[C@@H]1[C@H]2CC=C2C[C@@H](O)CC[C@@]21C 35643845 MNUNKCHZNVYRDJ-NPSGEGPJSA-N 411.630 4.762 0 40 HJAB in-vitro COc1ccc2c(ccn2CCC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c1 36356900 KBDJTAUPVQMMFH-UHFFFAOYSA-N 421.472 4.727 0 40 HJAB CCc1cc2c(CSc3nnc(-c4cccs4)n3CC)cc(=O)oc2cc1O 36818860 UKQLZTFAZZQFBU-UHFFFAOYSA-N 413.524 4.693 0 40 HJAB CCc1cccc2c(/C=C3\NC(=S)N(CC)C3=O)cn(Cc3ccc(Cl)cc3)c12 39556753 IIAXKSJEKOTLJN-NDENLUEZSA-N 423.969 4.983 0 40 HJAB Cc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1NS(=O)(=O)c1ccccc1 44847938 BDPHYLOMHPMFJR-HSZRJFAPSA-N 420.534 4.603 0 40 HJAB COc1ccc([C@H]2SCC(O)=Nc3[nH]nc(C)c32)cc1OCc1ccccc1F 44922277 FROPZKDSMZYQCK-HXUWFJFHSA-N 413.474 4.869 0 40 HJAB COCc1ccc(C(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)n[nH]2)cc1 48309352 CWSWJEZELUJSEZ-UHFFFAOYSA-N 409.505 4.847 0 40 HJAB CC[C@@H](NC(=O)N(Cc1ccc(C(=O)NC)cc1)C1CC1)C12CC3CC(CC(C3)C1)C2 58203049 FGGXUXHVUXUIMR-MCADVSAISA-N 423.601 4.715 0 40 HJAB Cc1oc(-c2cccc(Cl)c2)nc1Cn1ccn2nc(-c3cccs3)cc2c1=O 64775020 QGVSRGAOOSSLCP-UHFFFAOYSA-N 422.897 4.890 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)c(Cl)c1 71327977 PGCWIMPXEQUVAP-UHFFFAOYSA-N 409.917 4.579 0 40 HJAB CC(=O)c1cccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c23)c1 71328114 NBIBTODNTWZXRW-UHFFFAOYSA-N 402.479 4.558 0 40 HJAB Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccc4[nH]ccc4c3)n[nH]2)cc1 72378356 UUYILHVLPCAYOS-XMMPIXPASA-N 404.489 4.989 0 40 HJAB CC(C)c1nccn1-c1cccc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 72378522 VFFMEBREEZYFLM-UHFFFAOYSA-N 402.542 4.730 0 40 HJAB Cn1c(C(=O)Nc2cc3c(cc2Br)OCCO3)c(Cl)c2ccccc21 95953847 AHYOVSBYFUYOTK-UHFFFAOYSA-N 421.678 4.618 0 40 HJAB CCOC(=O)c1sc(N/C=C/c2ccc(OC)cc2OC)c(C(=O)OCC)c1C 101246055 HWQAEHJCANFNTO-ZHACJKMWSA-N 419.499 4.510 0 40 HJAB O=C(Sc1ccc(Cl)cc1)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 102633636 YQCVOFRBRQSDGM-MBZVMHRFSA-N 409.894 4.584 0 40 HJAB CC1=NN(c2ccccc2)[C@@H]2O[C@@]3(C)C[C@](C)(Oc4c3c(C)nn4-c3ccccc3)[C@H]12 102782043 IEIBUZSTLRNBJL-KAKDDGLXSA-N 414.509 4.806 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3Cl)C2=O)cc1 210808293 PBSUVTOCUHZNBV-OQLLNIDSSA-N 421.305 4.977 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 222411017 CYIONQDKRPCEHB-NRFANRHFSA-N 400.950 4.523 0 40 HJAB CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 223938266 FMKSKMSLJPNUCY-GOSISDBHSA-N 402.560 4.742 0 40 HJAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3cccc(C)c3)c2)c1 224112334 KZOXBRMUIXRYEE-UHFFFAOYSA-N 407.466 4.852 0 40 HJAB CCOC(=O)c1cc(NC(=S)NCCSC2CCCCC2)ccc1Cl 225358670 TYXUINHUUVYJDL-UHFFFAOYSA-N 400.997 4.869 0 40 HJAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)C)c1 225515312 GDOUZJWTOFDSNY-INIZCTEOSA-N 421.368 4.786 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCCc2cccc(OC(C)C)c2)c1C 225565873 JNOZHHOGQMKZBZ-UHFFFAOYSA-N 414.571 4.878 0 40 HJAB S=C(NCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(Br)cc1 225820320 NOJCFGNNIBEKLG-UHFFFAOYSA-N 423.723 4.639 0 40 HJAB CC(C)(C)c1ccc(C(=O)Nc2cc(Br)c3nc(NN)sc3c2)cc1 226309559 DKSIRMHFNIIXDL-UHFFFAOYSA-N 419.348 4.894 0 40 HJAB Cc1ccccc1C(=O)NC(=S)Nc1cc(Cl)ccc1-c1ccc(C(=O)O)o1 226355044 AHJNNURVXDUEJO-UHFFFAOYSA-N 414.870 4.733 0 40 HJAB CCN(CC)c1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)c(OC)c1 257223150 DWCRTWPKXIMTAB-ZGDIDTHXSA-N 414.590 4.560 0 40 HJAB CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2ccncc2)CC1 257249484 JIPCNDBXJCEBES-UHFFFAOYSA-N 419.594 4.771 0 40 HJAB O=C(O)c1ccccc1CN1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257326180 WWDIYAGPWDLIEK-SFHVURJKSA-N 410.901 4.997 0 40 HJAB CC(C)(C)C(=O)N[C@H](c1nccs1)[C@H]1CC[C@H](CNC(=O)[C@H]2CC=CCC2)CC1 257343528 ZTIVXWUJYHWWEH-VJANTYMQSA-N 417.619 4.625 0 40 HJAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(Cl)c4C)c3)C(=O)[C@H]2C1 408683048 MHSZCTRBCHNFTR-MSOLQXFVSA-N 408.885 4.746 0 40 HJAB Cc1ccc(F)cc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 409154224 GDMPNQXGIJIUHX-UHFFFAOYSA-N 415.490 4.950 0 40 HJAB Cc1[nH]c(C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c(C)c1C(=O)OC(C)C 505482699 BDWYWECCXBCEGV-GOEBONIOSA-N 408.420 4.501 0 40 HJAB CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(Cc4cccc(C(=O)O)c4)C[C@@H]3C[C@@H]21 585262336 MJMYRERQYSEBQY-XHRGMSINSA-N 407.510 4.524 0 40 HJAB COC(=O)c1c(NC(=O)COc2ccc(C(C)C)cc2)sc2c1CC[C@@H](C)C2 729932 DVDLKFFBQVJPEQ-CQSZACIVSA-N 401.528 4.800 0 40 HJAB C[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 825714 WJJLJYVRHMKFPI-AVRWGWEMSA-N 416.546 4.952 0 40 HJAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 883199 DCHUQASWIRSJCS-UHFFFAOYSA-N 417.534 4.506 0 40 HJAB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2CCOc2ccc(C)cc2)c1OC 1080705 ZCSUIKQUTAPNRV-XMMPIXPASA-N 418.493 4.658 0 40 HJAB Cc1cccc2cc(CN(CCc3ccccc3)C(=O)NC3CCCCC3)c(=O)[nH]c12 1378219 SLMIYMSOSCQIJH-UHFFFAOYSA-N 417.553 4.924 0 40 HJAB COc1ccc(Oc2coc3cc(OC(=O)c4cccc(OC)c4)ccc3c2=O)cc1 1448046 LNMCZNHLNJSPFN-UHFFFAOYSA-N 418.401 4.822 0 40 HJAB biogenic COc1ccccc1CNC(=O)CSc1ncnc2scc(-c3ccccc3)c12 3240415 XSBXFFDHTWNGDE-UHFFFAOYSA-N 421.547 4.775 0 40 HJAB Cc1ccccc1NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl 3264204 NWYNKXILEVAGKD-UHFFFAOYSA-N 402.661 4.516 0 40 HJAB Cc1ccc(Cl)c(OCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1 3448439 GJDNYSGQVPEJJI-UHFFFAOYSA-N 410.905 4.651 0 40 HJAB Cc1ccc2nc(-c3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3)cc(C(=O)O)c2c1 4554332 RGULEELSAFQNCT-QZTJIDSGSA-N 414.461 4.588 0 40 HJAB FC(F)(F)C1=NC(C(F)(F)F)=NP(N2CCCCC2)(N2CCCCC2)=N1 5259027 NZINAULIEUHLRG-UHFFFAOYSA-N 403.311 4.840 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1cccnc1 5516340 SQKMKBAWQYXSTL-HXUWFJFHSA-N 402.837 4.587 0 40 HJAB O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(C(=O)c2ccccc2)cc1 6227542 WLIPKBHSRJNNMJ-UHFFFAOYSA-N 409.854 4.935 0 40 HJAB O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1ccccc1 6548451 KRBUWEBMXCZLLD-UHFFFAOYSA-N 419.912 4.555 0 40 HJAB CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)[C@@H](C)CCC3 6728079 ZRAPOAPLIFUBCB-ZDUSSCGKSA-N 414.552 4.542 0 40 HJAB CCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1 6732581 LEIULQNGSDEMCC-RUZDIDTESA-N 419.908 4.910 0 40 HJAB CCCc1n[nH]c(=S)n1NCc1ccc(OCc2cccs2)c(OCC)c1 7601427 MVRDDSHVPIZTAG-UHFFFAOYSA-N 404.561 4.676 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)c1C 7855477 XQQSXKMXKHWLLM-CYBMUJFWSA-N 414.556 4.853 0 40 HJAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)NC3CCCCCC3)o2)cc1 8193960 UMZAISRYXSOYCQ-INIZCTEOSA-N 416.591 4.902 0 40 HJAB O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 8341877 SIIZCSVGEGFOFW-RGFVMQALSA-N 400.507 4.859 0 40 HJAB COc1ccc(CNc2nnc(SCc3ccc(-n4cccn4)cc3)s2)cc1 8354241 DTXALGMDKZUSOJ-UHFFFAOYSA-N 409.540 4.637 0 40 HJAB CCCCn1nc(NC(=O)c2ccc(OC)c(OC)c2)c2cc3ccc(C)cc3nc21 9327893 YXTRGYFANJJIKC-UHFFFAOYSA-N 418.497 4.963 0 40 HJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@@H]1CCSc2ccccc21 9349197 VQXOGBMYKDASFL-OAHLLOKOSA-N 417.943 4.835 0 40 HJAB Cc1nc2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccs3)cc2s1 9377211 DWAJPWXCBUSMDS-SFHVURJKSA-N 421.547 4.646 0 40 HJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 11115201 FQZLKMGZEVMLFH-FGZHOGPDSA-N 407.539 4.820 0 40 HJAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)Nc1cccnc1 12375389 WCWFXXZGHWXRLP-UHFFFAOYSA-N 416.264 4.658 0 40 HJAB Cc1nnc(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)n1C1CC1 12688717 XODHGOIAZWMVSQ-IBGZPJMESA-N 422.579 4.894 0 40 HJAB C[C@H](Sc1nnnn1C1CCCCC1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 12800562 YVLSXBNZFJIAMR-AWEZNQCLSA-N 415.563 4.526 0 40 HJAB Cc1c(CC(=O)Nc2ccc3[nH]ccc3c2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 12893145 YQJFPGJYCXZEKP-UHFFFAOYSA-N 416.477 4.868 0 40 HJAB biogenic O=S(=O)(c1cccc(Br)c1)N1CCC[C@H]1c1nc2ccccc2s1 12983715 TZAKZHUZQBPFCA-HNNXBMFYSA-N 423.357 4.585 0 40 HJAB COCCCNC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 13686732 XPQBTYFALSWCQH-UHFFFAOYSA-N 416.521 4.614 0 40 HJAB COc1cc(CSc2nnc(Cc3ccccc3)o2)c(OC)cc1Br 14094297 SHOQJVSOKVCEEL-UHFFFAOYSA-N 421.316 4.732 0 40 HJAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cccc3ncccc23)CC1 19082071 PAWVZUYKVPMTOV-XMMPIXPASA-N 416.569 4.745 0 40 HJAB Cc1ccc2scc(CC(=O)N3CCC[C@@H]3c3nnc(-c4ccccn4)o3)c2c1 19220626 XQNLGNUBVLTRMQ-GOSISDBHSA-N 404.495 4.561 0 40 HJAB CCOCc1cc(CN2CCCC[C@H]2c2n[nH]cc2-c2cc(C)no2)ccc1OC 19531153 RISKNNNYXWHBJL-FQEVSTJZSA-N 410.518 4.645 0 40 HJAB CCC(=O)Nc1ccc(Nc2nc3ccc(C)cc3nc2-n2nc(C)cc2C)cc1 20177185 UCQMTMCCLWJJFR-UHFFFAOYSA-N 400.486 4.833 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)o1 20196914 XKCRVJQYAGMMCE-UHFFFAOYSA-N 417.918 4.670 0 40 HJAB Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(F)cc2)C4)c1 20671399 CMTNQJOSYPEVOR-KRWDZBQOSA-N 418.497 4.777 0 40 HJAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 20727335 ARRBTHWSLKPHNQ-HXUWFJFHSA-N 418.324 4.731 0 40 HJAB Cc1nc(-c2cccc(NC(=O)COC(=O)c3ccc4ncsc4c3)c2)cs1 23220359 MRXRSBNORRYPTP-UHFFFAOYSA-N 409.492 4.524 0 40 HJAB COc1cc(OC)c(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1Cl 26562110 YSDLPWLQUCTAMH-UHFFFAOYSA-N 420.874 4.825 0 40 HJAB O=C(COc1ccccc1Cl)Nc1nc(-c2ccc(Br)cc2)ns1 27664086 WCCMXPFLCSGRMZ-UHFFFAOYSA-N 424.707 4.639 0 40 HJAB Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)oc2c1 28291667 WZYFYZJJHONXHQ-FQEVSTJZSA-N 424.928 4.712 0 40 HJAB Cc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 33327324 FXMHUICAVVTISD-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC[C@H](C(F)(F)F)C1 35600952 XVCZYIFVWVQIPK-FXAWDEMLSA-N 406.448 4.958 0 40 HJAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2c(C)noc2C)cc1 35671758 METFILIGCYDCAT-UHFFFAOYSA-N 405.410 4.551 0 40 HJAB O=C(NCc1ccccc1-n1ccnc1)c1ccc(CN2CCCc3ccccc32)cc1 44850156 BNCYXNBNBDMQDQ-UHFFFAOYSA-N 422.532 4.755 0 40 HJAB COc1ccc(C(=O)N2C(=S)C(c3ccc(OC)cc3)=NC23CCCCC3)cc1 45932841 VBIYWSRYBHUQTQ-UHFFFAOYSA-N 408.523 4.637 0 40 HJAB Cc1ccc(C(=O)N2CCC(N(C)c3ccccc3)CC2)cc1NC(=O)c1ccco1 57083947 GZCJXADCHKICOZ-UHFFFAOYSA-N 417.509 4.581 0 40 HJAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 58210945 QMYITFMCVYMWFR-LLVKDONJSA-N 407.417 4.903 0 40 HJAB Cc1oc(-c2ccc(Cl)cc2)nc1Cn1ccn2nc(-c3cccs3)cc2c1=O 64775021 PQOXTKHIGZTEMB-UHFFFAOYSA-N 422.897 4.890 0 40 HJAB C[C@H]1CN(c2ccccc2NC(=O)CSc2nc3ccccc3s2)C[C@H](C)O1 70040163 YGLNTWROKBJIFJ-GJZGRUSLSA-N 413.568 4.641 0 40 HJAB O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccccc1Cl 72193872 XBUQAVFKFHAQPA-VWLOTQADSA-N 419.908 4.780 0 40 HJAB O=C(NCc1ccc(F)cc1Cl)c1cn[nH]c1-c1cccc(Br)c1 72329063 YFVMHNWBFCTGLC-UHFFFAOYSA-N 408.658 4.562 0 40 HJAB COc1cc2c(cc1OC)[C@@H](CCc1c(C)noc1C)N(C(=O)C1CCCC1)CC2 72342695 SAJSVNDMDMBVGJ-OAQYLSRUSA-N 412.530 4.557 0 40 HJAB COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 72357990 XLHRDXLWOZGZIC-QHCPKHFHSA-N 404.485 4.726 0 40 HJAB CC(=O)N1N=C(c2c(-c3ccccc3)c3ccc(C)cc3[nH]c2=O)C[C@@H]1c1ccco1 79047017 ZIXPMRHWZKUYQA-OAQYLSRUSA-N 411.461 4.794 0 40 HJAB C[C@@]1(C(=O)Nc2ccc(N3CCCCC3)cc2)CCCCN1C(=O)c1ccccc1 96006672 DMRSJGQRTISHAA-VWLOTQADSA-N 405.542 4.700 0 40 HJAB CC(=O)c1cccc(NC(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)c1 96315530 VKSXYFSHKXJJAF-UHFFFAOYSA-N 405.454 4.994 0 40 HJAB Cc1ccccc1Cc1c(C)[nH]c2nc(SCc3ccc(Cl)cc3)nn2c1=O 100133801 HNCOPZLWUMGPQS-UHFFFAOYSA-N 410.930 4.571 0 40 HJAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)[C@H]3CC=CCC3)CC2)n1 100744004 XJSILZISCMTLFJ-ZCNNSNEGSA-N 408.546 4.803 0 40 HJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)c(OC)c1 100748035 VRFITYPURADBAC-YKSBVNFPSA-N 408.498 4.533 0 40 HJAB biogenic Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(C(C)C)cc1 113943617 GYNXEXFFFDPSLI-UHFFFAOYSA-N 414.571 4.791 0 40 HJAB CC[C@H](NC(=O)CCCN1C(=O)c2cccc3cccc1c23)c1ccc(OC)cc1 219470952 VOLMBZSXTGFBQN-NRFANRHFSA-N 402.494 4.856 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 222585676 PJUBWUWVZIZXTG-HXUWFJFHSA-N 421.368 4.868 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 222656764 LYCUTCRIENSDFV-FQEVSTJZSA-N 421.368 4.868 0 40 HJAB CCC1(CC)C[C@H](NS(=O)(=O)c2cc(Cl)ccc2OC)c2ccccc2O1 222663758 FDUQNUOZGNCGCU-INIZCTEOSA-N 409.935 4.710 0 40 HJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 222934623 IWCPPCUDLDMEOP-UXHICEINSA-N 411.962 4.549 0 40 HJAB CN(c1cccc(C(=O)Nc2ccccc2F)c1)S(=O)(=O)c1ccc(Cl)cc1 224269607 MDZFXAKGMABHGT-UHFFFAOYSA-N 418.877 4.557 0 40 HJAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 224630828 HVVLZNFLKIOVKH-FQEVSTJZSA-N 421.368 4.522 0 40 HJAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccc2ccccc2c1 224639382 NLZJCXZPVHYJDQ-HSZRJFAPSA-N 405.494 4.726 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 225131278 HJAQTMHDSCVHST-ZWKOTPCHSA-N 400.950 4.523 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 225478462 NIVCEFAVBVNVKA-URXFXBBRSA-N 424.585 4.876 0 40 HJAB Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 225972129 TYLILHJQDQVHNC-GOSISDBHSA-N 423.630 4.820 0 40 HJAB O=C1[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1CCOc1ccccc1 245380246 USFKMDZKSWXSFB-ASDGIDEWSA-N 423.512 4.804 0 40 HJAB O=C([C@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 247847288 HNVJXRCSADJQAP-DSNGMDLFSA-N 413.561 4.763 0 40 HJAB O=C(NCc1ccc(F)cc1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257300069 RSTGEIOCEBOVSH-UHFFFAOYSA-N 404.485 4.543 0 40 HJAB CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 408547856 NXXJHKZXPWNIHI-UHFFFAOYSA-N 408.523 4.919 0 40 HJAB CCCCSc1nc2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2s1 408750539 OPYLPWAJLFPZPA-NQERCMRGSA-N 402.541 4.650 0 40 HJAB O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 409092246 UOXUZFBLZRCMCV-UHFFFAOYSA-N 410.823 4.850 0 40 HJAB C/C=C1/[C@@H]2C[C@H]3N1CC[C@@]3(c1ccccc1NC(C)=O)c1c2cnn1-c1ccccc1 524730716 UECDSMAGMCKZHD-WYMKAKPMSA-N 410.521 4.596 0 40 HJAB biogenic COc1ccccc1OCC(=O)N1CCCCCCCc2ccccc2OCCC1 643583919 FVXPPPCKHPJJMC-UHFFFAOYSA-N 411.542 4.878 0 40 HJAB O=C(CS[C@@H]1NC(c2ccc(Cl)cc2)=CS1)N1CCCc2ccccc21 1554502637 WTXBCVZCTQCCHO-HXUWFJFHSA-N 402.972 4.971 0 40 HJAB Cc1cc(C)cc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 835092 YRCBBXGVHAQGRD-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB CCOc1ccccc1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918232 NKXPVOYVTKJOGA-UHFFFAOYSA-N 416.359 4.659 0 40 HJAB O=C1C(Cl)=C(N(Cc2ccccc2)Cc2ccccc2)C(=O)N1c1ccccc1 934346 AATBFOVGJVISBM-UHFFFAOYSA-N 402.881 4.713 0 40 HJAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2)cc1 1464130 YDEOHQWOQYJLOS-UHFFFAOYSA-N 401.418 4.690 0 40 HJAB CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)Cc1ccccc1)c1ccccc12 2283490 JVUZWJJXASJPOW-UHFFFAOYSA-N 401.462 4.965 0 40 HJAB CCOc1ccc(-n2c(N)c(C(=O)OC[C@H](C)CC)c3nc4ccccc4nc32)cc1 2367070 KSNVBBOMGGGKTO-OAHLLOKOSA-N 418.497 4.758 0 40 HJAB CC(C)Oc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 2502553 RRPXCCBURKGGLM-HSZRJFAPSA-N 408.523 4.789 0 40 HJAB Cc1ccc(C)c(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1 3372171 FTVTUUKLIHUGIM-UHFFFAOYSA-N 404.491 4.630 0 40 HJAB CC(C)Cn1c([C@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 4033474 XKJRBELXYAUGBQ-HNNXBMFYSA-N 412.331 4.975 0 40 HJAB CCOc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)ccc1O 6553847 BTBDBSRVDAICNZ-RMGXFJFPSA-N 421.537 4.699 0 40 HJAB Cc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 6753263 CTZBKXPHPAAJAO-XMMPIXPASA-N 410.477 4.540 0 40 HJAB CCOc1ccc(C[C@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)c(OCC)c1 6961765 SLVZTODDIFCBMP-GOSISDBHSA-N 405.903 4.949 0 40 HJAB COc1ccc(C2=Nc3ccc(Br)cc3C(c3ccccc3)=NN2)cc1 6973397 IBNMINGKZPXTSG-UHFFFAOYSA-N 406.283 4.892 0 40 HJAB COc1ccccc1-c1noc(COC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 7156388 ICCYTQUDHIMHMP-UHFFFAOYSA-N 412.873 4.954 0 40 HJAB CCc1nnc(S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)O)[nH]1 7342557 YMAPASAFMIYUTI-BOPFTXTBSA-N 415.902 4.817 0 40 HJAB CCc1nnc(S/C(=C\c2c(C)n(Cc3ccccc3)c3ccccc23)C(=O)O)[nH]1 7342596 SOWPBOWTRAJNJK-MOSHPQCFSA-N 418.522 4.896 0 40 HJAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 7362269 YBUDUTYCCCHUDI-INIZCTEOSA-N 418.566 4.812 0 40 HJAB Cc1ccc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)cc1 7721036 UBUPPJFBTAEJJL-UHFFFAOYSA-N 405.498 4.785 0 40 HJAB O=C(COc1ccccc1F)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 8915791 BTRPQXQAMVSRME-MRXNPFEDSA-N 412.288 4.719 0 40 HJAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C2CCCCC2)cc1OC 9282002 LLXZYBGOAICVOB-UHFFFAOYSA-N 420.509 4.520 0 40 HJAB CC1=Nc2ccccc2N=C(NC(=O)CSc2ccccn2)[C@@H]1c1ccccc1 9306834 KTJPUYLSFVQVKU-QFIPXVFZSA-N 400.507 4.910 0 40 HJAB Cc1sc2nc([C@H](C)Sc3nnc(NCc4ccco4)s3)[nH]c(=O)c2c1C 9724131 ITJQONGHPQLPHK-JTQLQIEISA-N 419.557 4.511 0 40 HJAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(Br)c(C)c2)cc1 10916934 QNLMUIBRGMKXPV-UHFFFAOYSA-N 417.332 4.626 0 40 HJAB O=C(Cc1csc(SCC(=O)c2cccs2)n1)Nc1ccc(F)c(F)c1 11694982 FUEGNOGGUQKDOV-UHFFFAOYSA-N 410.492 4.639 0 40 HJAB CCc1oc2ccccc2c1/C=C/C(=O)N(C)Cc1ccccc1N1CCOCC1 12555627 VCXUJQTTXBMNJP-OUKQBFOZSA-N 404.510 4.504 0 40 HJAB O=C(O)Cc1csc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 12985899 KFISIHIZTHWJCE-FQEVSTJZSA-N 408.504 4.968 0 40 HJAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(C(C)=O)c1)OCCO3 13503650 KRQBQXCABCYOGQ-UHFFFAOYSA-N 422.506 4.502 0 40 HJAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)N1CCCCC1 13709426 FFTAFIIPIAXSMT-GOSISDBHSA-N 402.494 4.872 0 40 HJAB COc1ccc(N(Cc2cccs2)C(=O)Cc2cc(C(C)=O)ccc2OC)cc1 14171432 LOEBILXUOSAWQL-UHFFFAOYSA-N 409.507 4.744 0 40 HJAB Cc1cc(Cl)c(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c(Cl)n1 15193209 MLMKDLUITPLEOF-UHFFFAOYSA-N 406.313 4.550 0 40 HJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 15883227 QNGYGAMZDVJXKI-UHFFFAOYSA-N 422.790 4.701 0 40 HJAB CC(C)(C)C(=O)N1CCC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1 19083348 GVANSWBJSLJFTK-CWRNSKLLSA-N 414.516 4.969 0 40 HJAB CC1(C)Cc2c(cnn2Cc2cccc(Cl)c2)[C@H](NC(=O)Cc2ccccc2)C1 19461648 LUGDNRHQFKUVMS-OAQYLSRUSA-N 407.945 4.957 0 40 HJAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 19694036 PKKMXGNKHDRTLD-SFHVURJKSA-N 412.965 4.759 0 40 HJAB Cc1nccn1C[C@H]1CCCN(Cc2c(-c3ccc(F)cc3)nc3sccn23)C1 19715786 BGOCFRHOGMYJJV-KRWDZBQOSA-N 409.534 4.619 0 40 HJAB O=C(Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12)c1ccc(Cl)cc1 21486780 WBFUQVRXQQQTRV-UHFFFAOYSA-N 417.292 4.593 0 40 HJAB CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 22893679 YOHDPKMHCDOWCH-LICLKQGHSA-N 414.461 4.768 0 40 HJAB O=C(c1ccccc1C(F)(F)F)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 23140291 AFXCQCDKYXYHFI-LBPRGKRZSA-N 407.417 4.837 0 40 HJAB O=C(Cc1csc(-c2ccco2)n1)N1CCC(c2nc3ccccc3s2)CC1 24823921 RTCALDIBOZHYIR-UHFFFAOYSA-N 409.536 4.962 0 40 HJAB CC(C)(C)[C@@H]1CCc2sc(C(=O)N(Cc3ccc(C(N)=O)cc3)C3CC3)cc2C1 31169137 HZQXMJQMDNCJSM-GOSISDBHSA-N 410.583 4.803 0 40 HJAB COc1cc(C(=O)Oc2ccc3c(-c4ccc(F)cc4)noc3c2)cc(OC)c1OC 32093129 ZQXBRPQWGBXGCC-UHFFFAOYSA-N 423.396 4.879 0 40 HJAB COc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4C)c3)no2)c1 33327382 OJHVBYNSJYFLJD-UHFFFAOYSA-N 415.449 4.738 0 40 HJAB Cc1nn(C)cc1-c1nn(-c2ccc(Cl)c(Cl)c2)c(-c2cn(C)nc2C)c1C 36611587 SAHFDUFBYVCKFO-UHFFFAOYSA-N 415.328 4.905 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)c3c(C)nn(C)c3n2)c1 36616956 HNUKWAQDIXBELL-UHFFFAOYSA-N 400.482 4.821 0 40 HJAB Clc1nc(Nc2ccc(N3CCOCC3)cc2)c2ncn(C3CCCCC3)c2n1 38899513 RRZNYEDYEXGHIS-UHFFFAOYSA-N 412.925 4.565 0 40 HJAB in-vitro COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(OC(F)(F)F)cc2)ccc1O 40267547 XZVMHWLVEJOPHT-CQSZACIVSA-N 419.359 4.609 0 40 HJAB COc1ccc(C(=O)N[C@@H](CCSC)c2nc(-c3ccc(Cl)cc3)no2)cc1 41154655 YBWXCKRXTIMIRF-KRWDZBQOSA-N 417.918 4.623 0 40 HJAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CN3CCC(C)CC3)cc1)CC(C)(C)O2 44855568 TZXHAEFIIYGEQA-QHCPKHFHSA-N 422.569 4.959 0 40 HJAB COc1ccc(NC(=O)c2sc(N(C(C)=O)C3CCCC3)nc2C)cc1Cl 44901124 VUVRGPVGKCNTCQ-UHFFFAOYSA-N 407.923 4.661 0 40 HJAB Cc1cccc(C)c1NC(=O)c1n[nH]nc1Nc1ccc(OCc2ccccc2)cc1 57510698 QZSYBIPUAVIOLP-UHFFFAOYSA-N 413.481 4.996 0 40 HJAB COc1ccc(CCNc2ncc(-c3cc(C)no3)c(-c3ccc(C)o3)n2)cc1OC 72340119 WVBRYVCRUWLYGD-UHFFFAOYSA-N 420.469 4.680 0 40 HJAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccc(OCc3ccc4c(c3)OCO4)cc2)on1 72395111 XVKTWDSBMHXESG-NZQKXSOJSA-N 420.509 4.792 0 40 HJAB O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1ccccc1Br 90613637 IWGKGQJFQWIOSU-INIZCTEOSA-N 408.342 4.584 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=S)N[C@@H]1C[C@H]3CC[C@H]1C3)CC2 104746412 GPEXRCSPJVLGIB-MGUJFXTKSA-N 422.594 4.714 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1ccncc1 223517102 FKUIYEDOCLZSNN-GOTSBHOMSA-N 417.582 4.956 0 40 HJAB Cc1ccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 223811878 UZQDQXRQMRXHOP-NRFANRHFSA-N 406.570 4.630 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 224257719 YBSZOIYDTCZYPU-QFIPXVFZSA-N 412.599 4.562 0 40 HJAB COc1ccc(OCc2cc(C(=O)Nc3cc(OC)ccc3OC)ccc2OC)cc1 224267322 ADLMDOWRSOZEMN-UHFFFAOYSA-N 423.465 4.552 0 40 HJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(CN2CCCC2)cc1 224515867 ZYPXOUBVXNVPOP-JOCHJYFZSA-N 400.950 4.718 0 40 HJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C(C)C 224599783 IOLMIEAIRWXGDM-FCHUYYIVSA-N 406.555 4.964 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 225125797 BSIMOOZIFNDPRV-QHCPKHFHSA-N 424.585 4.633 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 225248234 HANCGQCTAXGFBV-NRFANRHFSA-N 400.950 4.525 0 40 HJAB COc1cccc(-c2noc(CN(C)C(=O)CCc3ccc(Cl)c(Cl)c3)n2)c1 225340723 WBOGDVDIISTPCG-UHFFFAOYSA-N 420.296 4.643 0 40 HJAB Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1 225381972 SGKUPPATJVJYLC-PKTZIBPZSA-N 418.566 4.919 0 40 HJAB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cc1C(=O)OCC 225853952 UWGNPXJGQOTEQT-UZUQRXQVSA-N 405.535 4.966 0 40 HJAB COc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(Br)cc2C)o1 226764025 IQAVPWKRGNRQJR-UHFFFAOYSA-N 401.260 4.861 0 40 HJAB CCOc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CC(C)C)ccc1O 257241131 HWRQMBMEFJKUFX-FYFGABSMSA-N 415.574 4.836 0 40 HJAB O=C(NCc1ccc(F)cc1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257302612 SDOIDKUDQOGFOX-UHFFFAOYSA-N 404.485 4.543 0 40 HJAB CCn1ncc(CN2CCC[C@@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)c1C 257315498 VBRNYFMXNYRRPX-GOSISDBHSA-N 410.591 4.803 0 40 HJAB Cc1ccccc1O[C@H](C)C(=O)N(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1 408714394 PXCJHBHETCBFMO-QGZVFWFLSA-N 407.514 4.768 0 40 HJAB O=S1(=O)c2ccccc2N[C@@H](c2c(F)cccc2Cl)N1Cc1ccccc1 409112066 BQEZAFMDWAHFIH-HXUWFJFHSA-N 402.878 4.794 0 40 HJAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccc2c(c1)CCO2)OCCO3 521438685 CJKFGJPSSNSOTR-INIZCTEOSA-N 420.509 4.813 0 40 HJAB COC(=O)c1c(NC(=O)COc2ccc(C(C)C)cc2)sc2c1CC[C@H](C)C2 729931 DVDLKFFBQVJPEQ-AWEZNQCLSA-N 401.528 4.800 0 40 HJAB COc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3NC(C)=O)n2)cc1 1415856 UJFZBZHWDSWXCT-UHFFFAOYSA-N 404.495 4.938 0 40 HJAB CCOC(=O)c1c(-c2ccccc2)csc1NS(=O)(=O)c1ccc(C)cc1 1717096 OFPLMICETODTQS-UHFFFAOYSA-N 401.509 4.701 0 40 HJAB CC[C@@H](C)OC(=O)[C@H](C)n1cnc2scc(-c3ccc(OC(C)C)cc3)c2c1=O 1784787 OOQWFVMURNJBRG-CABCVRRESA-N 414.527 4.815 0 40 HJAB Cc1cccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2c[nH]c3ccccc23)c1 3303861 XZZLQWATDMWMPD-UHFFFAOYSA-N 419.554 4.588 0 40 HJAB O=C1CC2(CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)Oc2ccccc21 4505623 ZIEAVRFAISGXEC-UHFFFAOYSA-N 411.501 4.923 0 40 HJAB O=C(Cc1ccccc1)NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 4674930 QGVXLUSFTBPYDD-UHFFFAOYSA-N 405.454 4.690 0 40 HJAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)N3CCOCC3)c(Cl)nc12 4861336 OAVILDAZXOAZNQ-UHFFFAOYSA-N 409.917 4.651 0 40 HJAB Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)n1 4966093 NWWICVJBMKOJAD-UHFFFAOYSA-N 402.498 4.741 0 40 HJAB aggregator C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)N(CCCl)N=O 5764510 KTQUNVRSLAGBSY-STRCNMCHSA-N 408.926 4.856 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 6251264 WTZDJXNGMALLBS-ZZXKWVIFSA-N 401.702 4.879 0 40 HJAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2F)s1 6319384 KMZDIZALUKSPSW-UHFFFAOYSA-N 404.492 4.550 0 40 HJAB COc1cc([C@@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1ccccc1C 6678763 JNETUOYSBGBIBC-BTYIYWSLSA-N 423.538 4.777 0 40 HJAB COc1cc(OC)c([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc1OC 7883935 QIKZKGPPQYYKOG-DEOSSOPVSA-N 418.493 4.788 0 40 HJAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc(C)c1Br 7928356 ZJEPTOVHHMUACS-INIZCTEOSA-N 415.331 4.674 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)c1 8231926 FTGZDOYPJVUPIX-DEOSSOPVSA-N 413.521 4.988 0 40 HJAB O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)c1c(/C=C/c3ccc(Cl)cc3)ccc(=O)n1C2 8296340 FMWMHPGTZKQCSG-LPRVLWEOSA-N 420.896 4.525 0 40 HJAB biogenic,in-vitro Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCCC3)cc2Cl)c(C)c1 8369203 RVNQKOUGQJKGGQ-UHFFFAOYSA-N 402.947 4.746 0 40 HJAB Cc1nn(C)c(Cl)c1C(=O)N[C@@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1 8873975 MWOIBUVRKWVBJY-HXUWFJFHSA-N 424.932 4.615 0 40 HJAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1csc(-c2ccc(F)cc2)n1 9907002 BEJPYPWJXVDAMF-UHFFFAOYSA-N 417.893 4.692 0 40 HJAB COc1ccc(-c2nc3c4ccccc4nc(SCCN4CCCCC4)n3n2)cc1 10157697 SNGDUFMZZGWNOB-UHFFFAOYSA-N 419.554 4.531 0 40 HJAB CC(=O)c1cccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c1 10278752 REUWAJXXQIQBML-GOSISDBHSA-N 410.520 4.769 0 40 HJAB C[C@@H](Sc1ncnc2c1cnn2C)C(=O)Nc1ccccc1Sc1ccccc1 11685539 SASURYOTGZCARP-CQSZACIVSA-N 421.551 4.634 0 40 HJAB CCCOc1ccc(-c2nonc2NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 12062602 VOYXMDTWGDRFSV-UHFFFAOYSA-N 415.877 4.813 0 40 HJAB O=C1CCCCC[C@H]1[C@]1(O)C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 12377243 OEHWBUQTATWGLB-ZHRRBRCNSA-N 418.320 4.877 0 40 HJAB O[C@H](COc1ccccc1-c1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1 12420130 CHCYMPJREQNMCI-QHCPKHFHSA-N 422.956 4.569 0 40 HJAB Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)n(-c2nc(-c3ccccc3)cs2)n1 12441736 USHSWDNHAPSDFI-MRXNPFEDSA-N 404.495 4.710 0 40 HJAB CCCc1cc(=O)[nH]c(S[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)n1 12761253 QNKJDLISAHXEEH-OAQYLSRUSA-N 423.538 4.593 0 40 HJAB CC(=O)N(c1nnc(SCc2csc(Nc3ccccc3)n2)s1)C1CC1 12778287 NJGKMLBAYJSRIE-UHFFFAOYSA-N 403.558 4.546 0 40 HJAB Cc1cccc(O[C@H](C)C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)c1 12927252 KNUROLYWSJVJJD-GFCCVEGCSA-N 418.868 4.738 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCc4ccccc43)c2C)cc1 13613650 LUWPVBUJQOHAAQ-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)C1(c2ccc(F)cc2)CCCC1 13984897 UKJIBQMIUGZDAN-UHFFFAOYSA-N 406.453 4.976 0 40 HJAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 14398644 MAIQJEPDPZGYID-LBPRGKRZSA-N 402.318 4.949 0 40 HJAB O=C(CSc1nnc2ccccn12)N1c2ccccc2SC[C@H]1c1ccccc1 16048701 GMHHSVQMYLDXFU-SFHVURJKSA-N 418.547 4.702 0 40 HJAB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c(Cl)c3)cc2Cl)CC1 17092108 CLMBFTZOEJOFNT-UHFFFAOYSA-N 420.340 4.613 0 40 HJAB COc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 19359528 ZCLNCLPTBHYFNH-UHFFFAOYSA-N 402.538 4.611 0 40 HJAB COc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCCC2)cc1 19555479 YZCYLUZGDDHNHF-HJOGWXRNSA-N 424.610 4.763 0 40 HJAB CCc1cc(C(=O)N2CCc3nc(-c4ccc(C(F)(F)F)cc4)sc3C2)on1 19719917 QXKYVDRSYBFLIH-UHFFFAOYSA-N 407.417 4.578 0 40 HJAB CN(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1Br 20039711 HYQAMNPGORJUSL-UHFFFAOYSA-N 403.103 4.793 0 40 HJAB COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1Br 20142320 ZMDZYOWSDKZNHT-UHFFFAOYSA-N 416.271 4.771 0 40 HJAB CCc1nc(CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)cs1 23074421 MHWMVHLABSPTRV-UHFFFAOYSA-N 405.980 4.832 0 40 HJAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 25001678 FYGQSMRZADJTAS-OAHLLOKOSA-N 405.420 4.616 0 40 HJAB C[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1 32862961 CHPUDKYHFOFVRZ-RYUDHWBXSA-N 415.342 4.518 0 40 HJAB O=C(C1CCCC1)N1CCCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 32916258 GLASETYPROQCFS-UHFFFAOYSA-N 424.545 4.726 0 40 HJAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCO[C@@H](c2ccc(F)cc2)C1 33004829 QKCIHKDYTQELNK-JOCHJYFZSA-N 419.500 4.629 0 40 HJAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1 33133154 XQCMKGMMJOXUMS-IBGZPJMESA-N 414.292 4.785 0 40 HJAB O=C1C[C@H](c2cccc(Br)c2)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 35143214 ITOGKOCPOJXAAQ-CQSZACIVSA-N 402.679 4.967 0 40 HJAB Cc1ccc(Nc2c(-c3ccc(C(=O)O)cc3)nc3cnccn23)c(Br)c1 35622709 FNQHBAMEKPDEPZ-UHFFFAOYSA-N 423.270 4.909 0 40 HJAB CC[C@@H](C(=O)Nc1cc(C)ccc1C)n1ccc(C(=O)Nc2cc(C)ccc2C)n1 36617883 BVNMIJSAIIXLEG-QFIPXVFZSA-N 404.514 4.959 0 40 HJAB CCOC(=O)c1cc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)ccc1Cl 44939611 SLENRXJESSPNFU-MRXNPFEDSA-N 418.896 4.507 0 40 HJAB Cc1ccc(Cn2ncc3c(C(=O)N(Cc4ccccn4)C(C)C)cc(C)nc32)cc1 48276440 LEVASOCJYQGOHS-UHFFFAOYSA-N 413.525 4.542 0 40 HJAB O=C(CNCc1ccccc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 58444895 UYZGUBACEIPAFO-UHFFFAOYSA-N 413.304 4.953 0 40 HJAB Cc1ccc(-n2nccc2NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)nn1 95428003 TZAPUAZTTZPYBW-UHFFFAOYSA-N 424.439 4.577 0 40 HJAB O=C(NCc1ccc(Cl)cc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96096600 YSVMJSSABHYNCU-UHFFFAOYSA-N 402.907 4.541 0 40 HJAB CCCCOc1ccc(C2=N/C(=C\c3csc(-c4ccccn4)n3)C(=O)O2)cc1 96130180 JRRQGYVNQFCLBF-UYRXBGFRSA-N 405.479 4.729 0 40 HJAB CCOC(=O)c1sc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F 96759700 TXBWIZSUDDCKMR-UHFFFAOYSA-N 412.311 4.610 0 40 HJAB COc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 113952132 YNVQUJPPOQQOOV-UHFFFAOYSA-N 407.341 4.530 0 40 HJAB COC(=O)CC[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@@]21C 118912988 ZHUOOEGSSFNTNP-GZMWEANGSA-N 406.607 4.566 0 40 HJAB CCn1ncc(/C=C2/C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)c1C 118916088 VKRFPVDWWWRUGS-HYPGFWRGSA-N 410.602 4.889 0 40 HJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 222974876 BLUIHSFLUUHWQM-GOSISDBHSA-N 413.905 4.823 0 40 HJAB Oc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223109582 ASQHHRUYEQHNKA-GOTSBHOMSA-N 418.566 4.883 0 40 HJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 223314203 ROFJDVRYWFQFBM-HSZRJFAPSA-N 408.586 4.876 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 223359666 WYEXCRVDYIXZJE-NRFANRHFSA-N 414.977 4.913 0 40 HJAB Cc1cccc(CN(C(=O)CSCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 223793055 PCFRRKKUWCRAJN-FQEVSTJZSA-N 424.610 4.704 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223920464 VXFXKMXPYSGCLH-UHFFFAOYSA-N 408.523 4.865 0 40 HJAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccc2ccccc2c1 224639333 NLZJCXZPVHYJDQ-QHCPKHFHSA-N 405.494 4.726 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 225139513 JCTYEAWCFCWGAX-SFHVURJKSA-N 400.950 4.606 0 40 HJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 225396120 OVCLXSAXURJRBY-QFIPXVFZSA-N 419.525 4.740 0 40 HJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225689444 QZYRBDFGIZBLAJ-YKSBVNFPSA-N 404.595 4.967 0 40 HJAB COc1ccccc1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2OC)o1 257336076 YNBDAPBBOHDPNK-OAQYLSRUSA-N 420.509 4.579 0 40 HJAB CCCc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)n(C)n1 257344102 ZVTNPUZPPOVPQD-IBGZPJMESA-N 412.921 4.582 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 408693903 AXSXTDMDTMANRX-GOSISDBHSA-N 424.522 4.510 0 40 HJAB CC(C)c1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 409132346 OAAQTKMTPQRZCR-UHFFFAOYSA-N 415.342 4.522 0 40 HJAB COc1ccc2ccc(OC)c(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2c1 409169772 ZOGCIHLEAHVPPR-XDHOZWIPSA-N 408.841 4.608 0 40 HJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3c(F)cccc3Cl)C2=O)c(C)c1 409179399 MNHXGIKBIXZNRK-MFOYZWKCSA-N 418.877 4.771 0 40 HJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1c(OC)ccc2ccc(OC)cc12 409372459 ZIGSLBTVUHGBQZ-FQEVSTJZSA-N 410.495 4.625 0 40 HJAB CCC(=O)N1CCCCCCCN(C)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21 643584076 LCVWFLJULSLEEV-IRLDBZIGSA-N 400.563 4.651 0 40 HJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1C 648263 YJGZYWVGTMAODD-UHFFFAOYSA-N 406.433 4.540 0 40 HJAB Nc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2nc(-c3ccc(F)cc3)ccc12 661620 OYFKVUREYCOSHR-UHFFFAOYSA-N 407.426 4.666 0 40 HJAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NC4CCCC4)c23)C1 1377295 QIVQXEJLKAAWDP-GFCCVEGCSA-N 401.601 4.844 0 40 HJAB Cc1ccccc1Cn1cnc2c(NS(=O)(=O)c3ccc(F)cc3)c(C)c(C)cc21 1391854 NCPAGTXJCUMNKK-UHFFFAOYSA-N 423.513 4.950 0 40 HJAB O=C(OC[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)c1ccccc1Cl 1406649 WJDOZGUZOCRTDI-LJQANCHMSA-N 405.881 4.764 0 40 HJAB CCOc1ccc([C@H]2NC(=O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)cc1 2493016 QRRBVSHUWZGZDW-QFIPXVFZSA-N 419.550 4.559 0 40 HJAB CCc1ccc(Nc2nnc(SCC(=O)Nc3ccc(Cl)cn3)s2)cc1 2616360 BWADLFZCHXKBGN-UHFFFAOYSA-N 405.936 4.623 0 40 HJAB Cc1ccccc1Nc1nnc(SCC(=O)N[C@H]2CCCc3ccccc32)s1 3465310 ZNICEAMTDPTBDZ-SFHVURJKSA-N 410.568 4.876 0 40 HJAB aggregator Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccc(OC(C)C)c1 3656282 GLUSJSRXRODEHI-UHFFFAOYSA-N 407.499 4.509 0 40 HJAB Cc1c(-c2ccc(Br)cc2)c(=O)oc2ccc(OC(=O)N(C)C)cc12 4340769 QYBRNVZYIPQACK-UHFFFAOYSA-N 402.244 4.591 0 40 HJAB biogenic COc1ccc(-c2csc(NC(=S)NC(=O)c3ccccc3Cl)n2)cc1 4703894 SGPUHWKUBDEXMU-UHFFFAOYSA-N 403.916 4.599 0 40 HJAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3Sc3ccccc3)CC2=O)cc1 4731956 RQHUOBCYFNFNPA-KRWDZBQOSA-N 418.518 4.838 0 40 HJAB COc1ccc(NC(=O)/C(=C\c2ccc(Cl)cc2)NC(=O)c2ccccc2)cc1 5002858 BLYWTXSXHQMIMV-RCCKNPSSSA-N 406.869 4.758 0 40 HJAB Cc1cccc(C(=O)N(Cc2cccnc2)c2nc3cc4c(cc3s2)OCCO4)c1 5142253 XQFFEMLFOUSADU-UHFFFAOYSA-N 417.490 4.618 0 40 HJAB CCN1c2ccccc2C[C@@](CCN(C)Cc2ccccc2)(C(N)=O)c2ccccc21 5389811 PHPYRCJGEGCQNA-HHHXNRCGSA-N 413.565 4.646 0 40 HJAB COc1cc(CC(=O)NCCC(c2ccccc2)c2ccccc2)cc(OC)c1OC 5509019 XMXRFTLNLPXVTH-UHFFFAOYSA-N 419.521 4.593 0 40 HJAB COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1 5561038 WAXFWUZJKQAPQQ-UHFFFAOYSA-N 417.440 4.825 0 40 HJAB biogenic CCn1c(-c2ccccc2)c(C2=NN=C(N[C@@H](C)COC)SC2)c2ccccc21 5688102 MANJLKYQVQJXCW-INIZCTEOSA-N 406.555 4.760 0 40 HJAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1nc2ccccc2c(=O)[nH]1)c1ccccc1 5932437 ZBXGZRZTMDMPTC-IBGZPJMESA-N 405.454 4.534 0 40 HJAB CCCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)c1cccc(Cl)c1 6636145 MFPCFSGMPFEMOA-UHFFFAOYSA-N 411.914 4.928 0 40 HJAB Cc1ccc(-c2nn([C@H](C)C(=O)Nc3ccc(Cl)cc3)c(=O)c3c2CCCC3)cc1 6767344 CPIBLWUIFLLVQX-MRXNPFEDSA-N 421.928 4.951 0 40 HJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 7073098 HYJJDAADVDNMIV-QGZVFWFLSA-N 400.482 4.952 0 40 HJAB O=C(COC(=O)c1cc2sc3ccccc3c2s1)NCCc1cccs1 7144234 OCABXLPXTTWOGZ-UHFFFAOYSA-N 401.534 4.693 0 40 HJAB C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NC[C@@H]1CCCO1 8312064 AIJWXHLVZOQZDO-APWZRJJASA-N 408.523 4.784 0 40 HJAB Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)[nH]2)cc1 8557410 RLPLJOCIVZVDJH-UHFFFAOYSA-N 402.317 4.878 0 40 HJAB O=C(O)COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2)cc1 8703679 PBZJHKSHWSOJNO-OAQYLSRUSA-N 408.841 4.575 0 40 HJAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1SCc1ccsc1 9549922 RSWCHJMOCTZHBQ-UHFFFAOYSA-N 421.547 4.549 0 40 HJAB O=C(CCCOC(=O)c1ccc(Br)o1)c1ccc(Br)cc1 9597070 PNIXDSBHQIXUKN-UHFFFAOYSA-N 416.065 4.625 0 40 HJAB CCOc1c(Cl)cc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1Cl 10475469 KLKPJMSGAWODEM-SFHVURJKSA-N 407.297 4.659 0 40 HJAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCC3)n2-c2ccccc2)cc1 12538279 KNVJCRZOPTTXKC-UHFFFAOYSA-N 406.555 4.556 0 40 HJAB CC(C)c1ccc(-c2nc(C(=O)Nc3cccc(S(C)(=O)=O)c3)cs2)cc1 12825644 XSLONGXWXPQXRO-UHFFFAOYSA-N 400.525 4.589 0 40 HJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 13069023 PSSLIRYLAASKGA-UHFFFAOYSA-N 418.541 4.987 0 40 HJAB O=C(O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 13342578 SVGNGPXTKISYMS-UHFFFAOYSA-N 403.843 4.631 0 40 HJAB COc1ccc([C@H](CNC(=O)c2cc(C3CC3)nc3ccccc23)N2CCCC2)cc1 14068670 YXOIZKQCEKHCNV-VWLOTQADSA-N 415.537 4.688 0 40 HJAB COC[C@@H](C)n1c(COc2ccccc2F)nn(CN2[C@@H](C)CCC[C@H]2C)c1=S 14359278 PVOVWDJZOPIROK-IXDOHACOSA-N 422.570 4.560 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 14582730 SXRGIGKKEFLMCF-GFCCVEGCSA-N 405.932 4.890 0 40 HJAB O=C(CCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccc(Cl)cc1 16713009 RZOLVSPFMWPBKV-ATVHPVEESA-N 418.877 4.934 0 40 HJAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(Cc4cccnc4)CC3)cc2N1 19083421 BPAOERHMSYSSQC-RBUKOAKNSA-N 421.511 4.991 0 40 HJAB CCCc1cc(C(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)no1 19525312 MXBLPJOQGIHJJA-LBPRGKRZSA-N 406.408 4.542 0 40 HJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(I)cc1C 22533531 POQRDUFIMPVPLM-KRWDZBQOSA-N 409.267 4.704 0 40 HJAB O=C(c1cc2sc(-c3ccccc3)cc2[nH]1)N1CCN(Cc2ccc(F)cc2)CC1 26456245 UQNPTCIVAJYCRT-UHFFFAOYSA-N 419.525 4.994 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)N(C)c1nc2ccccc2s1 26964035 RPDNGMVSQJVPPW-UHFFFAOYSA-N 410.524 4.865 0 40 HJAB COc1ccc(-c2csc(CCNC(=O)c3cccc(Br)c3)n2)cc1 31848791 OZRRJKZJBUDXFE-UHFFFAOYSA-N 417.328 4.554 0 40 HJAB Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1CCOc2ccccc21 32238407 GAMWFGJLLQJWEM-UHFFFAOYSA-N 416.308 4.764 0 40 HJAB C[C@H]1Cc2cc(-c3cc(CC(=O)Nc4ccccc4C(F)(F)F)no3)ccc2O1 38498501 XLLUXWYSTXPLHA-LBPRGKRZSA-N 402.372 4.865 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccc(-c4ccc(N5CCCC5)nn4)cc3)oc12 38787357 PLDGVWYBXHKIDP-UHFFFAOYSA-N 414.465 4.751 0 40 HJAB Cc1ccn2c(NC(=O)CCCc3nc(C(C)C)no3)c(-c3ccc(F)cc3)nc2c1 40130971 TYXYTZBDMXCXQX-UHFFFAOYSA-N 421.476 4.917 0 40 HJAB Fc1ccccc1-c1nnc([C@H]2CCN(Cc3cccc(OC(F)(F)F)c3)C2)o1 49170592 JRYQSXKTGFTVAM-AWEZNQCLSA-N 407.367 4.764 0 40 HJAB biogenic,in-vitro CCOc1ccc(-c2nc(CC(=O)N3CCC[C@@H]3[C@H]3CCCCC3=O)cs2)cc1 79056504 VGDSXDPEBJTCEJ-WOJBJXKFSA-N 412.555 4.502 0 40 HJAB COc1cccc(NC(=O)N2CCC3(CC2)CCn2c(-c4ccccc4)cnc23)c1 96080112 SWUSEQKRNOBBJD-UHFFFAOYSA-N 402.498 4.528 0 40 HJAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nnc12 100305564 ZCWLMTRSOULJKR-DJJJIMSYSA-N 422.476 4.796 0 40 HJAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(Cl)c(Cl)c3)C2=O)o1 106110137 PJMVPKHBLDWZEJ-VGOFMYFVSA-N 412.250 4.610 0 40 HJAB CC(C)c1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 218960215 FWBXXXKLGGNKML-UHFFFAOYSA-N 406.448 4.556 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 222409916 ASQOPICDBDYCIV-HSZRJFAPSA-N 424.585 4.829 0 40 HJAB CCc1ccc(N(CCCC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1 222644777 NCPUUNQAGPSPTG-UHFFFAOYSA-N 416.587 4.866 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 222649493 MOKVJODQXBYXIR-NRFANRHFSA-N 418.940 4.744 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1C1CCCCC1 223086538 FPODIQQJFLFBDS-YADHBBJMSA-N 403.555 4.573 0 40 HJAB CC1=NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2N1CC(C)C 223119672 NGLYYVSVYKOWAS-UHFFFAOYSA-N 413.543 4.645 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 224554078 CQFPAJRSFRMYJE-OAQYLSRUSA-N 418.940 4.601 0 40 HJAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(C(C)C)cc1Br 224568393 ZOCWMHFROWNRPK-AWEZNQCLSA-N 406.320 4.837 0 40 HJAB CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C(=O)OCC 225831963 OGECNACAGFGAIG-HXOBKFHXSA-N 405.535 4.966 0 40 HJAB COc1ccc(-c2cccc([C@@H]3CN(Cc4ccc5ncccc5c4)CCO3)n2)cc1 257335460 YKFYGVWHRQWPQJ-SANMLTNESA-N 411.505 4.879 0 40 HJAB COc1ccc(S(=O)(=O)N(Cc2cccc(Cl)c2)c2ccccc2OC)cc1 408627509 NGKBXNMZPKGATK-UHFFFAOYSA-N 417.914 4.753 0 40 HJAB Cc1nc(-c2ccc(C(=O)Nc3ccc(I)cc3)cc2)cs1 409088534 KGRUZYCYIPALHG-UHFFFAOYSA-N 420.275 4.975 0 40 HJAB O=C1N/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1 409233858 IBUPIKZADLSMSM-CPNJWEJPSA-N 411.383 4.589 0 40 HJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(OC)c3)[C@@](O)(C(F)(F)F)[C@H]2C1 409366126 YXESSMWWTOFKLA-IIMJZQEZSA-N 412.452 4.610 0 40 HJAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)C1CCCCC1 643584990 ZHSMEEWPAPNEKP-NRFANRHFSA-N 414.590 4.755 0 40 HJAB CC(C)C(=O)N1CCCCCCCN(C(=O)c2cc(C3CC3)[nH]n2)Cc2ccccc21 643588034 UFOBQNDTFPFSDO-UHFFFAOYSA-N 422.573 4.883 0 40 HJAB CCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1ccsc1 710777 XSFGIILXPRSZIC-UHFFFAOYSA-N 411.523 4.863 0 40 HJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)cc1OC 1294640 LWRLBQILWIOHKS-DVECYGJZSA-N 408.498 4.533 0 40 HJAB biogenic COc1ccc(-n2cc(-c3ccccc3)c3c(N4C[C@H](C)O[C@@H](C)C4)ncnc32)cc1 1447635 MGBCTJNNPXMSMB-ROUUACIJSA-N 414.509 4.710 0 40 HJAB COC[C@H](C)n1c(C)cc(C(=O)CSc2ncnc3sc(C)c(C)c23)c1C 2623834 OBYJZGPGMXGWJV-LBPRGKRZSA-N 403.573 4.909 0 40 HJAB COc1cc(OC)cc(C(=O)O[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1 2634415 RRORKMXDAXBBLT-QHCPKHFHSA-N 419.477 4.857 0 40 HJAB O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NCc1cccs1 2660779 LOFYOCKZFDYFFB-UHFFFAOYSA-N 424.526 4.543 0 40 HJAB COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2cc(C)cc(C)c2)o1 3477302 XCTOETXVGNMKIF-UHFFFAOYSA-N 420.490 4.674 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1NC(=O)[C@@H](C)Oc1ccccc1 4666211 SVQJUIXIDYANDZ-RTBURBONSA-N 418.493 4.807 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nc2cccnc2n1Cc1ccccc1 4852631 WTOALDKUHLABDE-UHFFFAOYSA-N 418.522 4.609 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nc(C)c(C)n1CC(C)C 5152089 WGLNYROIGRNNMN-UHFFFAOYSA-N 411.575 4.689 0 40 HJAB Clc1ccc2c(c1)C1=C([C@H](c3cccnc3)N3NC=NC3=N1)[C@@H](c1ccccc1)O2 5516450 BCWVHXCPRQTUQB-FCHUYYIVSA-N 413.868 4.539 0 40 HJAB Cc1ccc2nc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)sc2c1 6046204 YQCVFPMCUULGTI-FQEVSTJZSA-N 415.518 4.585 0 40 HJAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1csc(NCc2ccccc2)n1 6363051 DARKDYUVCNYDES-UHFFFAOYSA-N 410.539 4.698 0 40 HJAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(F)cc4)cc3n2)cc1 6630112 OLFACQCMVYXIGM-UHFFFAOYSA-N 417.488 4.967 0 40 HJAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)/C=C/c3c(F)cccc3Cl)c2C)no1 6648354 UKPKVSNLOPXVPN-BQYQJAHWSA-N 416.836 4.622 0 40 HJAB COc1cc([C@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1ccccc1C 6678760 JNETUOYSBGBIBC-YCRPNKLZSA-N 423.538 4.777 0 40 HJAB CCn1cc(C(=O)CSc2nnc(COc3ccccc3C)n2C)c2ccccc21 7459032 QWMNYMDBWLXYNH-UHFFFAOYSA-N 420.538 4.652 0 40 HJAB CC(C)[C@@H](NC(=O)CSc1nc2ccccc2o1)c1ccc2c(c1)OCCCO2 7883876 URPQKUDDVZEVAE-OAQYLSRUSA-N 412.511 4.595 0 40 HJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C)c(Br)cc3C)CC2=O)c(C)c1 7928078 UIOKEKXKEQRAMN-INIZCTEOSA-N 415.331 4.674 0 40 HJAB Cc1c(Cl)cccc1NC(=O)COc1ccc(C(=S)N2CCCCC2)cc1 8278372 MRMCTCTZPJHCGZ-UHFFFAOYSA-N 402.947 4.827 0 40 HJAB C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NC[C@H]1CCCO1 8312067 AIJWXHLVZOQZDO-QFBILLFUSA-N 408.523 4.784 0 40 HJAB Cc1cc(C)cc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)c1 8619665 RXLWAQRLBQTZTK-UHFFFAOYSA-N 414.465 4.534 0 40 HJAB CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21 8840831 XJHABNHKHZIEHQ-UHFFFAOYSA-N 408.523 4.576 0 40 HJAB Cc1ccccc1NC(=O)CSc1nc2sc(C)c(-c3ccccc3)c2c(=O)[nH]1 8897028 FUKFQDMFFGQZHA-UHFFFAOYSA-N 421.547 4.999 0 40 HJAB Cc1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1C 9250755 CROQLIKOHOFRQP-JOCHJYFZSA-N 400.950 4.679 0 40 HJAB Cc1noc(C)c1COc1cccc(C(=O)N(C)Cc2ccccc2N2CCCC2)c1 9339400 XFSQOWHRBHFTEN-UHFFFAOYSA-N 419.525 4.743 0 40 HJAB CCn1c(SCC(=O)Nc2ccccc2Cl)nc2c(oc3ccccc32)c1=O 9752148 IPZMRPBBHSMDJR-UHFFFAOYSA-N 413.886 4.547 0 40 HJAB Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)c(C)c1 9855772 PQPVHXCPHIPZBQ-UHFFFAOYSA-N 424.500 4.796 0 40 HJAB Fc1ccc(-c2nnc(SCc3nc4ccccc4o3)n2C[C@H]2CCCO2)cc1 10213512 SEKCVSMEQYMFQY-MRXNPFEDSA-N 410.474 4.697 0 40 HJAB O=C(NCCSCc1cccc(Cl)c1)c1ccc(CN2CCCCC2)cc1 10329555 IDTCIVSIYQTEDN-UHFFFAOYSA-N 402.991 4.989 0 40 HJAB O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(N2CCCC2=O)c(Cl)c1 11255663 XAVONDZHOLZHFU-UHFFFAOYSA-N 413.688 4.791 0 40 HJAB COc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)cc1 12342034 JNCRNKJIQXVCMG-UHFFFAOYSA-N 419.868 4.667 0 40 HJAB O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@@H]1COc2ccccc2O1 12749554 HEVQDLTULMDJLL-KRWDZBQOSA-N 420.412 4.531 0 40 HJAB O=C(COc1ccccc1Br)N[C@@H](c1ccc(F)cc1)c1cccs1 12751212 JFPLYNPTYBIIJN-IBGZPJMESA-N 420.303 4.934 0 40 HJAB CCc1cccc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c1 12875833 JLCLVSKYVREJBT-UHFFFAOYSA-N 406.404 4.634 0 40 HJAB Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2F)cs1 12888233 LEXOMYLQHUWJKR-UHFFFAOYSA-N 408.907 4.662 0 40 HJAB O=C1CCCN1c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1Cl 12931249 ZRZCCFNPPYBYKL-UHFFFAOYSA-N 419.717 4.574 0 40 HJAB Cc1cccc(-n2c(S[C@H](C)c3nc(C)no3)nc3cc(Cl)ccc3c2=O)c1 12933812 QZLWKGMYCPUKEW-GFCCVEGCSA-N 412.902 4.892 0 40 HJAB Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccccn1)O2 13036204 YYXLTFWWXAOFCJ-GCJKJVERSA-N 405.841 4.706 0 40 HJAB CC(C)CC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)N(C(C)C)c1ccccc12 13635263 WCYHBYSIVYICCN-AREMUKBSSA-N 415.537 4.597 0 40 HJAB CC(C)c1ccc(-c2nonc2NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1 13687919 MHTAFNKNXSXIEI-UHFFFAOYSA-N 409.829 4.872 0 40 HJAB Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)Nc1cc(F)ccc1F 13709015 KJHDDDLAWZFQRK-UHFFFAOYSA-N 420.419 4.925 0 40 HJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14400398 AQSVOFOVZITBBA-HZPDHXFCSA-N 402.922 4.891 0 40 HJAB Cc1ccccc1[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 20043817 SFGBZEXBGVBONJ-HXUWFJFHSA-N 416.340 4.825 0 40 HJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 20483927 ATKJRJHNISLSQY-NRFANRHFSA-N 406.482 4.623 0 40 HJAB O=C(Cc1csc(-c2ccsc2)n1)N1CCC(c2nc3ccccc3o2)CC1 21708193 YUUBYXFBTYEQDQ-UHFFFAOYSA-N 409.536 4.962 0 40 HJAB CCN1CCN(c2ccccc2NC(=O)CSc2ccc3ccccc3c2)CC1 21836491 BFDUCTADJKBUDE-UHFFFAOYSA-N 405.567 4.713 0 40 HJAB Cc1ccc(C(=O)OCC(=O)c2oc3ccccc3c2C)cc1NC(=O)c1ccco1 23585754 PYMYLZBNQQDGMI-UHFFFAOYSA-N 417.417 4.935 0 40 HJAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)N(Cc1ccco1)Cc1cccs1 24695470 XWXWFIZUIMIXOT-UHFFFAOYSA-N 403.887 4.537 0 40 HJAB Cc1cccc(-c2nc3s/c(=C/c4ccc(-c5cccc(Cl)c5)o4)c(=O)n3n2)c1 26779443 UNHRHGKVJXSSRD-XDHOZWIPSA-N 419.893 4.588 0 40 HJAB CCOP(=O)(OCC)[C@H](NC(=O)c1ccccc1F)C(Cl)(Cl)Cl 26962849 ZKGDNYIQJSGONS-LBPRGKRZSA-N 406.605 4.518 0 40 HJAB CCOc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1OC(=O)c1ccccc1C 27525262 KZOJDJBVCBPAJF-HMMYKYKNSA-N 418.493 4.769 0 40 HJAB O=C(Nc1ccccc1C(F)(F)F)N1CCN(Cc2c(F)cccc2Cl)CC1 27931294 PGEHOTFHOWOXJO-UHFFFAOYSA-N 415.818 4.848 0 40 HJAB CC(C)c1ccc([C@H](CNC(=O)/C=C/c2ccc(Cl)cc2)N2CCOCC2)cc1 28291001 XHCSZVXDAPNWSG-LHRVCSDGSA-N 412.961 4.666 0 40 HJAB Cc1ccc(-c2noc(CSCC(=O)N[C@@H](C)c3cc4ccccc4o3)n2)cc1 28909077 GKIVYPKJQHHMCC-HNNXBMFYSA-N 407.495 4.902 0 40 HJAB CCCOc1c(Br)cc(C(=O)Nc2ccc3oc(C)nc3c2)cc1OC 29795969 WDIFHURQSGZLQX-UHFFFAOYSA-N 419.275 4.948 0 40 HJAB O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCO[C@H](c2ccc(F)cc2)C1 31177279 IVLLWJNWJYGHED-IBGZPJMESA-N 416.905 4.745 0 40 HJAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)c(C)c1 32097081 LFXBPFKOQJCZSN-GOSISDBHSA-N 408.889 4.651 0 40 HJAB CN1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 35494275 JRKXZSDHWWDBMI-OPJGWUQDSA-N 416.908 4.716 0 40 HJAB COc1cc(NC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc(OC)c1OC 38671403 NBZJXVJLTJOESA-UHFFFAOYSA-N 418.453 4.900 0 40 HJAB COc1ccc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c(OC)c1 40128671 HTNUVCUOIDSYLQ-UHFFFAOYSA-N 410.518 4.888 0 40 HJAB O=C(C1CCN(c2ccc(Cl)cn2)CC1)N(Cc1ccco1)c1cccc(F)c1 48275732 JWYCLVFWYOSUKC-UHFFFAOYSA-N 413.880 4.917 0 40 HJAB O=C(Nc1cccc(-c2nnco2)c1)NC1(c2cccc(Br)c2)CCC1 62250111 AVSPOIUYUFMGHV-UHFFFAOYSA-N 413.275 4.700 0 40 HJAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)c(F)c2)n1 67297916 TYHVJDRTDXQEHG-ROMGYVFFSA-N 407.376 4.605 0 40 HJAB Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)c1 72359656 KVOYRYPRVSWEGW-FQEVSTJZSA-N 410.521 4.882 0 40 HJAB C[C@@H](Sc1ccccc1)C(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 89368726 HZMDTGWOIYZDRO-HRBLRVMOSA-N 404.576 4.556 0 40 HJAB Cc1ccc(NC(=O)N(Cc2cccnc2)Cc2ccco2)c(Br)c1 89611852 BHQBFOWIJOJFBH-UHFFFAOYSA-N 400.276 4.980 0 40 HJAB COc1ccc(Cl)cc1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)no1 98211290 BLHDQKAYWWNHIR-UHFFFAOYSA-N 408.845 4.506 0 40 HJAB Cc1cc(C(F)F)n2ncc(C(=O)N3[C@@H]4CC[C@@H]3CC(c3ccc(F)cc3)C4)c2n1 100166460 PADIMFSDVDRAMR-IAGOWNOFSA-N 414.431 4.665 0 40 HJAB COc1cccc(/C=C2/SC(=O)NC2=O)c1OCc1ccc(Cl)cc1Cl 113830795 HPGLXBBRRHVTAE-VIZOYTHASA-N 410.278 4.905 0 40 HJAB CCN(CC)c1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223425142 KRGIQNKKKVVNAV-UHFFFAOYSA-N 424.950 4.552 0 40 HJAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C 223892204 MQAPBZOFCWKZBT-DHIUTWEWSA-N 419.598 4.763 0 40 HJAB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1C 224026947 ZBSTWIZMVJNGKA-QHCPKHFHSA-N 422.550 4.985 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 224776251 OAKDSWNMKNPHIC-INIZCTEOSA-N 421.368 4.788 0 40 HJAB CC(C)c1nc(Cc2ccc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)cc2)no1 225902101 AIMPRTXYLAWPDI-OAQYLSRUSA-N 418.541 4.635 0 40 HJAB C[C@H]1CCCN(c2cc(Cl)nc(NC(=S)NCc3ccccc3Cl)n2)C1 225938783 WZLHTNHYKRKGIU-LBPRGKRZSA-N 410.374 4.506 0 40 HJAB O=C(COc1ccc(F)cc1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257253275 JYFMPNOILCGQNI-NRFANRHFSA-N 412.436 4.676 0 40 HJAB O=C(CN1CCCCCC1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257308342 TWJZJBYXBJDIKD-IBGZPJMESA-N 415.965 4.501 0 40 HJAB CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)cc1 408583267 GSOVRENJQXQDTP-UHFFFAOYSA-N 402.560 4.524 0 40 HJAB CC(=O)Nc1cccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)c1 408680540 ZVMHWZLJBMZRFT-UHFFFAOYSA-N 415.424 4.525 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(F)cc2)cc1 408699266 SMLAUKPXVKCRBE-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 408908948 ZEXHBBYGFFURCS-GIDUJCDVSA-N 412.898 4.793 0 40 HJAB CCCCCCC1=NN(C(=O)CSCc2ccccc2)[C@@](O)(C(F)(F)F)C1 409354718 BKIZRRXVKPFACL-SFHVURJKSA-N 402.482 4.729 0 40 HJAB C[C@@H](c1cccc(C(F)(F)F)c1)N(C)S(=O)(=O)c1ccccc1Br 521773614 QDNSHMSFLSVGST-NSHDSACASA-N 422.266 4.850 0 40 HJAB COc1ccc2cc(Br)ccc2c1CC(=O)Nc1ccc(Cl)cn1 703769 RJPDABFIAPVKCW-UHFFFAOYSA-N 405.679 4.841 0 40 HJAB CCOC(=O)c1c(NC(=O)COc2ccccc2C(C)C)sc2c1CCCC2 729745 YNQBZCDXSBYNEE-UHFFFAOYSA-N 401.528 4.945 0 40 HJAB COc1ccc(CC(=O)Nc2ccc(I)cc2C(C)C)cc1 1015672 QCIYCNXWDRQWOM-UHFFFAOYSA-N 409.267 4.604 0 40 HJAB COc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccccc1F 2721355 VPDRFVNEJLZVCY-INIZCTEOSA-N 403.457 4.723 0 40 HJAB CCCSc1nnc(CNC(=O)c2c(F)cccc2Cl)n1-c1cccc(C)c1 4059352 FFVKMRVKRYAIMB-UHFFFAOYSA-N 418.925 4.800 0 40 HJAB CCOc1ccc(-c2nnc(N(CCOC)C(=O)c3ccccc3Cl)s2)cc1 4982644 HEKRINZVUKKQIM-UHFFFAOYSA-N 417.918 4.550 0 40 HJAB COc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3OC)no2)cc1 5557291 LETDJFQGNAQWMT-UHFFFAOYSA-N 401.422 4.673 0 40 HJAB COc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C)cc3)nc2c1 5589021 IICTVQDEOFCVAH-UHFFFAOYSA-N 417.490 4.939 0 40 HJAB O=C(c1cccs1)c1noc(-c2cccs2)c1S(=O)(=O)c1ccccc1 5684521 ATVDNNMZTWBQQP-UHFFFAOYSA-N 401.490 4.528 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 6297151 VGCWBRNBPFDKQW-UHFFFAOYSA-N 413.264 4.988 0 40 HJAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1 6915701 NAURFIPGAKASSI-UHFFFAOYSA-N 401.462 4.638 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)o1 7194076 IVUGZVZWENYOFG-LBPRGKRZSA-N 401.513 4.648 0 40 HJAB O=S(=O)(Nc1ccccc1SCc1ccccc1)c1ccc2c(c1)OCCO2 7709853 FIYOZFWGQSZZLL-UHFFFAOYSA-N 413.520 4.551 0 40 HJAB O=C(OCc1ccccc1C(F)(F)F)C1CCN(C(=O)Nc2ccccc2)CC1 7778225 QOTWOAMFFWFMFV-UHFFFAOYSA-N 406.404 4.693 0 40 HJAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1=O 7882354 GQPPSRFLNJVMSF-SFHVURJKSA-N 416.477 4.788 0 40 HJAB CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C(C(=O)OC(C)C)=C(C)N2 7990966 NZTPJXGGQNNADT-HNNXBMFYSA-N 419.572 4.507 0 40 HJAB CC(C)COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)no2)cc1 7996981 JTXIEBOHCAIZAN-NRFANRHFSA-N 423.513 4.536 0 40 HJAB CCOc1ccc(-c2nc(NC(=O)COc3ccccc3OCC)sc2C)cc1 8315830 PDCYWJINVFQGBM-UHFFFAOYSA-N 412.511 4.933 0 40 HJAB NC(=O)N[C@@H](CC(=O)Nc1cccc(/C=C/c2ccccn2)c1)c1ccc(Cl)cc1 8346237 AQVUDXVOMFFFMZ-SQEWALACSA-N 420.900 4.644 0 40 HJAB CSc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C(=O)O)cc2)cc1 8446611 YSVMSBUIPSPDLC-OVCLIPMQSA-N 414.486 4.976 0 40 HJAB O=C(N[C@@H](C(=O)O)c1ccc(F)cc1F)OCC1c2ccccc2-c2ccccc21 8699166 QGICNEVQBKTRFK-OAQYLSRUSA-N 409.388 4.629 0 40 HJAB Cc1nc(-c2ccccc2)nc2sc3c(=O)n(Cc4ccccc4F)cnc3c12 9476971 OIZTUPHJVZEMOC-UHFFFAOYSA-N 402.454 4.564 0 40 HJAB O=C(CSc1nnc(-c2cccs2)n1-n1cccc1)Nc1ccccc1Cl 9707806 KYYRMGFSGSZTRM-UHFFFAOYSA-N 415.931 4.504 0 40 HJAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc2c(c1)OCCO2 9729854 IZRCPNUJEDRFEQ-UHFFFAOYSA-N 417.284 4.596 0 40 HJAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O 9884992 LKOIYVXOHQFOSE-AREMUKBSSA-N 424.456 4.750 0 40 HJAB COc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c(OC)c1 10659455 OZIWMDZBFZCEBX-UHFFFAOYSA-N 406.442 4.542 0 40 HJAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1nc2ccc(F)cc2s1 12261568 IMSFZILTDVMYMT-UHFFFAOYSA-N 403.385 4.940 0 40 HJAB C[C@@H]1CCc2c(sc3ncnc(N[C@@H](c4ccccc4F)c4nccn4C)c23)C1 12550385 GDRMSFOPLQXULJ-YJYMSZOUSA-N 407.518 4.890 0 40 HJAB COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC[C@H]2c2cccnc2)cc1 12660783 YIMVSJSXBWYNEU-QHCPKHFHSA-N 415.493 4.710 0 40 HJAB biogenic CCc1ccc([C@@H](N[C@@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 12909371 WKFQPRPZMMNQED-DNQXCXABSA-N 420.578 4.590 0 40 HJAB Cc1cc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)c(C)n1C[C@@H]1CCCO1 13041445 CMEBMQWLJWJZHV-HNNXBMFYSA-N 417.481 4.938 0 40 HJAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccc3ccccc3c2)S(C)(=O)=O)c1 14397267 OHNOGLGQLXSUPU-UHFFFAOYSA-N 410.539 4.642 0 40 HJAB O=C(COC(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1ccc2ccccc2c1 18659354 KUBWKSLYIIWUAK-UHFFFAOYSA-N 421.456 4.673 0 40 HJAB Cc1cccc2c(-c3ccncc3)c([C@@H]3CCCN(C(=O)CCn4ccnc4)C3)[nH]c12 19236525 JQEYHQDRPGRYMG-HXUWFJFHSA-N 413.525 4.531 0 40 HJAB O=C(O)COc1ccccc1CN1CCCCC[C@H]1c1cc(-c2cccs2)on1 19349125 MLZRDMOWNSNMGG-SFHVURJKSA-N 412.511 4.984 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccccn2)C1 19449566 WXRSGCCTDRYSMQ-RUZDIDTESA-N 419.594 4.770 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccncc2)C1 19449639 FIENERFBDKZVBV-HHHXNRCGSA-N 413.565 4.708 0 40 HJAB Cc1cc(OCC(=O)N2CCC[C@H]2c2nnc(-c3ccsc3)o2)ccc1Cl 19570722 HFTKACNIIIWXPW-INIZCTEOSA-N 403.891 4.502 0 40 HJAB Cc1cc(NC(=O)C[C@H](c2c[nH]c3ccccc23)C(C)C)n(Cc2ccncc2)n1 19574579 YHTRBEBBTKYQDA-FQEVSTJZSA-N 401.514 4.885 0 40 HJAB Cc1nccn1CC1CCN(Cc2c(-c3ccc(F)cc3)nc3sccn23)CC1 19715784 PPDDWPJJUQLHGI-UHFFFAOYSA-N 409.534 4.619 0 40 HJAB Cc1ccc(SCCNC(=O)CSCc2cccc(Br)c2)cc1 20238264 FHCJDVAEXKFVFH-UHFFFAOYSA-N 410.402 4.899 0 40 HJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 21042846 NJYJJKHAVLMLJS-UHFFFAOYSA-N 422.506 4.661 0 40 HJAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1Cc2ccccc2S1 21308418 FLHQTPRKOHSHHH-GOSISDBHSA-N 423.365 4.888 0 40 HJAB Cc1cccc(OCc2nc3ccccc3n2C[C@@H](O)COc2ccc(C)cc2C)c1 21659906 ONJJECRPULUASZ-OAQYLSRUSA-N 416.521 4.980 0 40 HJAB CCc1ccc(-c2noc(CCC(=O)NCc3cccc(C(F)(F)F)c3)n2)cc1 23437900 PCOHEDQMUMWOPQ-UHFFFAOYSA-N 403.404 4.567 0 40 HJAB O=C(CCC(=O)c1ccc(Br)cc1)OCc1csc(-c2ccco2)n1 25432768 TXZZPRFLKDLDHJ-UHFFFAOYSA-N 420.284 4.872 0 40 HJAB COC(=O)Nc1s/c(=N\c2ccccc2)n(C[C@@H]2CCCO2)c1-c1ccccc1 26688372 VDSGDPOQITZNNN-NKWDDMGQSA-N 409.511 4.806 0 40 HJAB Cc1ccc([C@@H](CNC(=O)c2ccc(Br)o2)N2CCCCCC2)cc1 27584123 FXBMFYFQNFDGHI-QGZVFWFLSA-N 405.336 4.698 0 40 HJAB O=c1c2ccccc2nc(SCc2cccnc2)n1-c1ccc(OC(F)F)cc1 27767955 BMYPNCHAOHTCEY-UHFFFAOYSA-N 411.433 4.674 0 40 HJAB CCCC[C@@H](CC)CNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 27911231 QXJSPPFTSSFHLP-QGZVFWFLSA-N 409.412 4.994 0 40 HJAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(Br)cc1 28091679 DYDKTXAZXKWCAN-FQEVSTJZSA-N 423.310 4.949 0 40 HJAB COc1ccc(Br)cc1[C@@H]1SCCN1C(=O)Nc1ccc(F)cc1 28232277 HRYNMVIPLZQLGM-INIZCTEOSA-N 411.296 4.876 0 40 HJAB COC(=O)c1cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)ccc1Cl 30938829 CGJMZMAWVRWECL-OAHLLOKOSA-N 421.324 4.631 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)c2sc3nc(C)nc(C)c3c2C)cc1OC 32754676 BXPCUYFCPTZYNO-INIZCTEOSA-N 411.527 4.611 0 40 HJAB CN1CCN(C(=O)Nc2ccccc2CN(C)C2CCCCC2)[C@H](c2ccccc2)C1 40103365 AETPPXIRWVQIAR-VWLOTQADSA-N 420.601 4.972 0 40 HJAB C=Cc1ccc(COC(=O)c2nnn(-c3ccc(Br)c(C)c3)c2C)cc1 45900503 YTSQYZRVJJQFQF-UHFFFAOYSA-N 412.287 4.647 0 40 HJAB C[C@@H](NC(=O)CSc1ccncc1)c1ccc(NC(=O)Nc2ccccc2)cc1 53261363 UNOAYMKOORXMSO-MRXNPFEDSA-N 406.511 4.695 0 40 HJAB Cc1cc(SCC(=O)NCc2ccc(Cl)cc2)nc(-c2cccc(F)c2)n1 67257444 VMKQJVAMWBGISQ-UHFFFAOYSA-N 401.894 4.653 0 40 HJAB Cc1ccc(Cn2nc3c4cc(-c5ccc(C(C)C)cc5)nn4ccn3c2=O)cc1C 67260560 HLMXHDGHWDMTCT-UHFFFAOYSA-N 411.509 4.599 0 40 HJAB COC(=O)c1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC4CCC4)C=C3C)nc2c1 72320998 FZZCXHLOYQRFJE-ZJOUEHCJSA-N 409.574 4.889 0 40 HJAB biogenic,in-vitro CC(C)Oc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(Br)c2)cc1 72329095 PQQIVWYTDDWPQK-UHFFFAOYSA-N 414.303 4.556 0 40 HJAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NC(=O)c2ccccc2Br)C1 77200112 ZGVVDUXXCAPFLP-HOTGVXAUSA-N 417.303 4.739 0 40 HJAB CC(C)(Oc1ccc2c(c1)CC/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C2=O)C(=O)O 78726011 ZTANCMYGJUWMHO-NTEUORMPSA-N 415.829 4.703 0 40 HJAB O=C(NCCC(=O)N(CCC(F)(F)F)C1CCCCC1)c1ccc(Cl)cc1 79055278 CXTIILUTDRBHRI-UHFFFAOYSA-N 404.860 4.574 0 40 HJAB Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F 95458912 LXGKBWUIUDEEBH-PXNSSMCTSA-N 407.480 4.831 0 40 HJAB CC(C)n1cnc2c1[C@H](C(=O)Nc1cccc(Cl)c1)N(Cc1ccccc1)CC2 96037488 ORLRPXPFJDFGDP-JOCHJYFZSA-N 408.933 4.856 0 40 HJAB Cc1cc(F)ccc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 98072931 WAKGIVSMYYSWOU-UHFFFAOYSA-N 412.202 4.716 0 40 HJAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1nc3c(ccc4ccccc43)s1)C(=O)C2 102410563 OWGIJMJQUYPHQF-LHSJRXKWSA-N 414.552 4.587 0 40 HJAB O=C(N1CCN(c2ccccc2)CC1)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 104980805 IMCWWXJJVRPIAO-AZZUFQGZSA-N 400.566 4.873 0 40 HJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219035586 ZDOGNJAVENYJMH-HNNXBMFYSA-N 421.884 4.969 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 222626158 WVVRQUCPKVFJIB-URXFXBBRSA-N 408.586 4.611 0 40 HJAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3c(C)cccc3C)ccc2C)cc1 224057011 VOKFQAOSBALVCQ-UHFFFAOYSA-N 424.522 4.674 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1C 224110896 LQBPQEHBVXQWED-IBGZPJMESA-N 422.550 4.620 0 40 HJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C 224629075 PLBWRXKDYNUKBS-HSZRJFAPSA-N 424.585 4.570 0 40 HJAB Cc1cccc(CN(C(=O)COc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)c1 224704793 PYWRGNNKGCQXHX-NRFANRHFSA-N 422.569 4.548 0 40 HJAB O=C(COc1ccc2c(c1)CCCC2)Nc1nnc(SCc2ccccc2)s1 224952586 XONJNKIIZKRDHZ-UHFFFAOYSA-N 411.552 4.727 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C 225060984 QEXXBHBBUFLQQP-FQEVSTJZSA-N 421.368 4.868 0 40 HJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)n1C 225339953 IUNWRGUJPNEVDP-FCHUYYIVSA-N 406.555 4.693 0 40 HJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(C(=O)O)o3)c(C)c2)cc1 226355293 OYSZVBGWMJGWHX-UHFFFAOYSA-N 408.479 4.642 0 40 HJAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(C[C@@H]2CC=CCC2)C1 248132327 XOXJGZHJMGRMII-RQTOMXEWSA-N 403.570 4.929 0 40 HJAB COCCC(=O)N[C@@H]1C[C@H](c2ccc(-c3cccc(OC)c3)cc2)O[C@@H]2CCC[C@@H]12 257255797 KIWVTVAAERWAHZ-OLKYXYMISA-N 409.526 4.514 0 40 HJAB COc1ccccc1-c1cccc(C(=O)N(CCCc2ccccc2)CC(=O)O)c1 257328827 XHGFXEAOIHLRPZ-UHFFFAOYSA-N 403.478 4.522 0 40 HJAB CCCCc1nnc(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)n1CC 408561049 WWLKGTXNTPAZCJ-UHFFFAOYSA-N 415.588 4.803 0 40 HJAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)c(OC)c1 408564495 YVZVLUOXFCTRRE-LNVKXUELSA-N 416.930 4.957 0 40 HJAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)c1ccccc1 409003335 RXODRHWJILZVAA-DVECYGJZSA-N 414.505 4.628 0 40 HJAB CCCCN1C(=O)S/C(=C\c2cc(Br)c(OC)c(OCC)c2)C1=O 409059127 PPLJOQGVSNORMH-UVTDQMKNSA-N 414.321 4.693 0 40 HJAB CCn1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c2ccccc21 409144480 FSHMCXGWOFHNNB-MOSHPQCFSA-N 410.470 4.916 0 40 HJAB CC(C)CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1cccs1)C2 585106829 IYUZQDUEDKVLJI-HSZRJFAPSA-N 406.555 4.541 0 40 HJAB O=C1c2ccccc2N[C@H](c2cc(-c3ccccc3)[nH]n2)N1c1ccc2c(c1)OCO2 639402507 LKUZBVHIRSLDSQ-QHCPKHFHSA-N 410.433 4.577 0 40 HJAB CCOc1ccc(-c2nnc(-c3ccc(OC)c(Br)c3)o2)cc1OCC 1117265361 AOGHTAMVTDQSSU-UHFFFAOYSA-N 419.275 4.972 0 40 HJAB O=C1C[C@]2(CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)Nc2ccccc2CN1 1615529792 NYOWDDVXENVUDN-JOCHJYFZSA-N 417.475 4.562 0 40 HJAB O=c1nc2n(c3scc(-c4ccccc4)c13)Cc1ccccc1C21CCOCC1 1056842 WRIWEIWQSCQCTM-UHFFFAOYSA-N 400.503 4.583 0 40 HJAB CC(C)C[C@@H](C(=O)NC1CCCC1)N(C(=O)c1ccc(Cl)nc1)c1ccccc1 1328788 MPPMBGBNBVDYOS-FQEVSTJZSA-N 413.949 4.855 0 40 HJAB CCN(CC)C(=S)SCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2403376 MMAKRAPHVPXFDE-UHFFFAOYSA-N 420.987 4.869 0 40 HJAB CC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccc(Cl)cc1)N2 2424350 PDZVGUBLBINTCB-IAGOWNOFSA-N 402.285 4.690 0 40 HJAB C[C@H]1CCCN(c2nc3c(-c4cccc(Br)c4)nnn3c3ccccc23)C1 2713103 CUMCPPXWFWXIFH-AWEZNQCLSA-N 422.330 4.943 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Sc1cccc[n+]1[O-])c1ccccc1 3223208 ZQYYBMOWJLVUCC-GOSISDBHSA-N 404.413 4.811 0 40 HJAB O=c1c2ccccc2sn1-c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3256399 DCYIZAWNXFDTJT-UHFFFAOYSA-N 416.911 4.506 0 40 HJAB C[C@H](NC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccccc1 3411775 LFHDFJYIGLLENY-AWEZNQCLSA-N 421.547 4.621 0 40 HJAB COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)C3CCCCC3)cc2c1 4231090 XJXAMVMWUINRMH-UHFFFAOYSA-N 410.539 4.707 0 40 HJAB CN1CCN(n2c(-c3ccc(Cl)cc3Cl)cs/c2=N\c2ccccc2)CC1 4477262 MJGDRVQMAZLKRQ-ATJXCDBQSA-N 419.381 4.639 0 40 HJAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccc(Br)c(C)c1 4783393 PVBMWOSOXZPUOS-UHFFFAOYSA-N 411.683 4.630 0 40 HJAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nncn1-c1ccccc1OC 4895043 BPGWTMSQRAOJNM-HZPDHXFCSA-N 410.543 4.909 0 40 HJAB CCOc1ccc(C(=O)C2CCN([C@H](C)C(=O)Nc3c(C)cccc3C)CC2)cc1 4966661 PPDVKLIJLNGPMY-LJQANCHMSA-N 408.542 4.624 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2F)N1Cc1ccco1 5178612 FOMSFYNLRWUPON-LJQANCHMSA-N 409.800 4.924 0 40 HJAB CCOc1ccccc1N1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 5928551 NRCPIGYGZBVQJE-CSKARUKUSA-N 405.325 4.754 0 40 HJAB C[C@H](NC(=O)COc1ccc2cc(Br)ccc2c1)c1ccc(F)cc1 6510857 OZZDSEBCPXEDKL-ZDUSSCGKSA-N 402.263 4.998 0 40 HJAB O=c1c(Cl)c(NCCNc2cccc3ccccc23)cnn1Cc1ccccc1 6552275 BLDHKFPWEHDWJI-UHFFFAOYSA-N 404.901 4.622 0 40 HJAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1=O 7882358 OBYILORIWYAORX-SFHVURJKSA-N 416.477 4.788 0 40 HJAB CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1C 7969543 XZKHZUWPTWUKIZ-UHFFFAOYSA-N 404.898 4.797 0 40 HJAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O 8625810 BVGVUOYMFVICDX-GOSISDBHSA-N 415.468 4.753 0 40 HJAB O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)Nc1cccc(O)c1 9577398 AHEMQMAGBXSRII-UHFFFAOYSA-N 421.836 4.837 0 40 HJAB COc1cc(C)ccc1NC(=O)Cc1csc(NC(=O)Nc2cccc(C)c2)n1 9625655 QUTHLNMEWTVKBM-UHFFFAOYSA-N 410.499 4.594 0 40 HJAB COc1cc2c(cc1OC)CN(C(=O)c1ccc3noc(-c4ccccc4)c3c1)CC2 9745765 ACLXIIKCVFHFFC-UHFFFAOYSA-N 414.461 4.711 0 40 HJAB COc1ccccc1[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccccc2C)c2ncnn21 10060395 AEDQBAXMGQOVCJ-PKTZIBPZSA-N 424.504 4.976 0 40 HJAB Cc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1 10233075 UERAEPBXDPHXCD-OAQYLSRUSA-N 424.928 4.560 0 40 HJAB COc1ccc(C(=O)OCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)c(OC)c1 11134378 MAXPAKHFMRVJNV-DEOSSOPVSA-N 424.424 4.808 0 40 HJAB O[C@H](CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1 11466655 BTMMPFNBIBLGOZ-OAQYLSRUSA-N 405.498 4.958 0 40 HJAB CC(=O)S[C@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]12 11592721 LXMSZDCAJNLERA-JSIIKIRASA-N 416.583 4.852 0 40 HJAB COc1cc(OC)c(NC(=O)Cc2csc(-c3ccccc3F)n2)cc1Cl 11867521 SLTOQTABBVKGSA-UHFFFAOYSA-N 406.866 4.801 0 40 HJAB COc1ccc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)c(OC)c1 12441704 FHRKNQYTZCEOKN-UHFFFAOYSA-N 420.494 4.574 0 40 HJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 12559743 HXYYVURFGKNUBK-SGTLLEGYSA-N 422.287 4.539 0 40 HJAB Cc1ccc([C@H](NCC(=O)Nc2ccc(N3CCCC3)cc2)c2cccs2)cc1 12597647 IZJNAMHARQTTAT-DEOSSOPVSA-N 405.567 4.974 0 40 HJAB COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OC(F)F)cc3)s2)cc1OC 12810148 BYRPAYZHYVCZQH-UHFFFAOYSA-N 420.437 4.989 0 40 HJAB CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccccc1 12875986 IAPQJTWDFSUNMC-DNYIEUBBSA-N 405.538 4.993 0 40 HJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 14007011 SSCOXQBNYIJSPE-OAHLLOKOSA-N 400.906 4.809 0 40 HJAB COc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2cc(C)ccc2C)cc1 15413204 AYLRVICSWMKFOW-RUZDIDTESA-N 414.505 4.742 0 40 HJAB CC(=O)c1ccc(N2CCN(C(=O)c3oc4ccc(Cl)cc4c3C)CC2)c(F)c1 16111594 GBVNEBWJNDRRRF-UHFFFAOYSA-N 414.864 4.699 0 40 HJAB O=C(Cn1nc(COc2ccc(Cl)cc2Cl)oc1=S)Nc1ccccc1 16769604 OPRMGIBOEKDGBJ-UHFFFAOYSA-N 410.282 4.730 0 40 HJAB CC1CCN(C(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)CC1 17882724 QSEDWORKUNUMRI-OAHLLOKOSA-N 409.559 4.500 0 40 HJAB COc1ccc([C@H](CNC(=O)c2cc(SC)ccc2Cl)N2CCCC2)cc1 17911561 QTPBQKJWKUNHNO-FQEVSTJZSA-N 404.963 4.637 0 40 HJAB Cc1cc(C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cs1 19571842 SRYQYYOQRNVCKB-FQEVSTJZSA-N 421.570 4.650 0 40 HJAB CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 19700228 VGBCHVNAWCMYKW-UHFFFAOYSA-N 406.570 4.639 0 40 HJAB COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3)c2c1 20381543 ALESCUPZACBUHN-UHFFFAOYSA-N 416.930 4.720 0 40 HJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1cccc(F)c1 21580077 RAVBCKHRUNJPSQ-UHFFFAOYSA-N 420.469 4.504 0 40 HJAB Cc1ccc(Cn2nccc2NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1 28292553 YBJVBDSMZRTHBU-UHFFFAOYSA-N 407.857 4.560 0 40 HJAB O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)c1ccccc1 31651454 LVKSHUHNGGTLCE-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB CC(C)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2cccc(Cl)c21 32074572 FZEUGGGAGCTJHX-NRFANRHFSA-N 400.910 4.572 0 40 HJAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccn(-c3ccc(F)cc3)n2)cs1 32826019 YGYCPQCZOXNACI-UHFFFAOYSA-N 404.470 4.646 0 40 HJAB C[C@@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 32868659 YRYQTNZNGCQJFA-CYBMUJFWSA-N 419.462 4.738 0 40 HJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 32902901 NFZLACPEZBGIMZ-ZNLUXHQJSA-N 412.530 4.626 0 40 HJAB COc1cccc(Cn2cc(NC(=O)Cc3c(C)[nH]c4c(C)cc(C)cc34)cn2)c1 35316551 DKQHOYRPARUVSI-UHFFFAOYSA-N 402.498 4.528 0 40 HJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1nc2ccccc2s1 36330058 UEUDEFOKXCFOEE-UHFFFAOYSA-N 401.850 4.982 0 40 HJAB COc1ccccc1CN(C)C(=O)COc1ccc(C(C)C)cc1Br 44902532 OHXZIIFEAHUGTR-UHFFFAOYSA-N 406.320 4.619 0 40 HJAB O=C(Oc1cccc2cccnc12)C1CCN(C(=O)c2cccc3ccccc23)CC1 49590383 SANKJAPXIYVWIS-UHFFFAOYSA-N 410.473 4.846 0 40 HJAB COc1ccc(-c2ccc(C(=O)Nc3ccccc3N3CCOC3=O)c(F)c2)c(F)c1 78617230 HTZXHCIOJIXHSO-UHFFFAOYSA-N 424.403 4.849 0 40 HJAB Cc1cccc(C)c1C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 83328086 SONZSWVVQNNLAB-XMMPIXPASA-N 415.489 4.838 0 40 HJAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCn1ccc2c(OC)cccc21 96223065 BFKKJPDLTVQJCK-OAQYLSRUSA-N 417.509 4.724 0 40 HJAB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc(OC)c1OC 104353151 HYXOATCEUFLRBA-UHFFFAOYSA-N 400.500 4.749 0 40 HJAB CCOc1ccc(CCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1OC 216471660 HHWYUWLANUBSKK-FQEVSTJZSA-N 424.585 4.688 0 40 HJAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc21 223115923 ZBUVNFDKSBBGHR-UHFFFAOYSA-N 419.934 4.628 0 40 HJAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1 223886065 YEJXKVUISIFMGL-VXKWHMMOSA-N 405.571 4.707 0 40 HJAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 224233397 WZTVBEJBIYTIBM-XMMPIXPASA-N 406.570 4.712 0 40 HJAB CC(C)C(NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl)C(C)C 224331766 RRKOYRPITOEXPI-UHFFFAOYSA-N 422.978 4.576 0 40 HJAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)cc1C 225147706 WWPJJCLFMKFIFP-RTWAWAEBSA-N 406.511 4.509 0 40 HJAB Cc1cc(N2CCC(C)CC2)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 225972112 ASYJLLXQEGXKRS-UHFFFAOYSA-N 423.630 4.820 0 40 HJAB COc1ccccc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257206935 BFNNJGIDPMDXNY-QGZVFWFLSA-N 410.901 4.947 0 40 HJAB Cc1ccc2c(c1)OC1(CCN(Cc3ccc(C(=O)O)cc3)CC1)[C@H]1CCCO[C@H]21 257234431 GTNCVCSWCCHTFR-JTHBVZDNSA-N 407.510 4.588 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 408820610 YWFPUESVPJEURS-WQRHYEAKSA-N 403.887 4.984 0 40 HJAB CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OC(F)F 409357266 IHKMADIYRIWWDO-AQTBWJFISA-N 419.449 4.966 0 40 HJAB CC(=O)CCc1ccc(OCCC(=O)Nc2ccc(-c3ccncc3)c(C)c2)cc1 561098558 AXFQXKCWEXPWPG-UHFFFAOYSA-N 402.494 4.986 0 40 HJAB CC(C)[C@H](NCCc1c[nH]c2ccccc12)c1nnnn1C12CC3CC(CC(C3)C1)C2 575443504 BRQCKDJXADEPJO-HBRISMIWSA-N 418.589 4.609 0 40 HJAB Cc1ccc(CN(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 800160 KKDWDGUHKUCWAT-GOSISDBHSA-N 424.488 4.748 0 40 HJAB COc1cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc(OC)c1OC 830177 ULVPCMQVZVIHTO-UHFFFAOYSA-N 403.438 4.508 0 40 HJAB O=C(CN1CCCCC1)Nc1ccc(NC(=O)c2ccccc2Cl)cc1Cl 862431 AFWJULGONBLBEQ-UHFFFAOYSA-N 406.313 4.670 0 40 HJAB O=C(CSc1nnc(-c2ccccc2O)o1)N(c1ccccc1)c1ccccc1 873488 GTJKDPQMNUGKPA-UHFFFAOYSA-N 403.463 4.899 0 40 HJAB CCOC(=O)c1c(NC(=O)/C=C/c2c(F)cccc2Cl)sc(C(C)=O)c1C 996277 DIGZIOCQNGEGEE-CMDGGOBGSA-N 409.866 4.880 0 40 HJAB CCOc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(C)=O)c(C)s1 1365596 MFGHHGFNOHRUOT-UHFFFAOYSA-N 421.522 4.679 0 40 HJAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccccc1 1447503 AGRRQSWCWGGVNK-UHFFFAOYSA-N 406.898 4.958 0 40 HJAB CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCc2ccco2)cc1 2267548 QSLRBPLQAYOGRE-XSFVSMFZSA-N 408.523 4.726 0 40 HJAB CCN(CC)c1ccc(NC(=O)CSc2ncnc3c2oc2ccccc23)cc1 2452683 YWLIKQIVPJMTFE-UHFFFAOYSA-N 406.511 4.953 0 40 HJAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1C 2629842 DBXDSTFBDKZDTB-UHFFFAOYSA-N 400.434 4.907 0 40 HJAB CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(I)cc2)cc1 3099984 MFHISGKWWBIKQR-UHFFFAOYSA-N 422.266 4.528 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c1 3279138 BFSBSUNEWAXFJT-UHFFFAOYSA-N 417.332 4.582 0 40 HJAB CC(C)CN(CC(C)C)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 3505978 VKXAILKSUZLHIQ-UHFFFAOYSA-N 423.586 4.562 0 40 HJAB COC(=O)c1c(N)c(-c2nc(-c3ccc(Cl)cc3)cs2)nn1-c1ccccc1 4207252 ZAOLWNRVIJGJCY-UHFFFAOYSA-N 410.886 4.685 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 4321374 GFEAGVLWWJFQAH-QGZVFWFLSA-N 415.522 4.757 0 40 HJAB Cc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3ccco3)C2)cc1 4899054 MHQHJMDEDDQYAE-LJQANCHMSA-N 400.887 4.781 0 40 HJAB O=C(CSC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N12)c1ccccc1 4969571 LVGMXEDXPTXPTH-NRFANRHFSA-N 411.486 4.634 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)c(F)c2)cc1 6142859 HGVGNXFIQJBSHN-UHFFFAOYSA-N 422.485 4.930 0 40 HJAB O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 6152867 AHTXKEMKOLBJBU-UHFFFAOYSA-N 414.914 4.530 0 40 HJAB COc1ccc(-c2nc(NC(=O)CSCc3c(C)noc3C)sc2C)cc1 6217292 FPBWFBVNWJOIBU-UHFFFAOYSA-N 403.529 4.604 0 40 HJAB COc1cc(NC(=O)c2ccc(C(C)C)cc2)ccc1N1C(=O)c2ccccc2C1=O 6346513 GQUDMIBSJPFECQ-UHFFFAOYSA-N 414.461 4.872 0 40 HJAB COc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1F 6531682 FTEJPTYZVRIIMB-UHFFFAOYSA-N 406.486 4.828 0 40 HJAB COCCn1c(C)cc(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c1C 6582727 QRKWPVOTMLFZQA-UHFFFAOYSA-N 406.857 4.794 0 40 HJAB Cc1ccc(-c2csc3nc(CSc4nnc(C5CC5)o4)[nH]c(=O)c23)s1 7242657 ASDWPVKPSOUUHE-UHFFFAOYSA-N 402.526 4.574 0 40 HJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CC[C@@H]2CCCC[C@@H]2C1 7329475 PTPRABSHDNQHCT-ZWKOTPCHSA-N 422.554 4.658 0 40 HJAB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CC1 7388259 KBBJRXSQNSPRGR-UHFFFAOYSA-N 415.537 4.787 0 40 HJAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc2noc(-c3ccccc3)c2c1 7491842 LEKIKLONVQARIO-UHFFFAOYSA-N 411.461 4.552 0 40 HJAB O=C(CCSc1ccccc1)Nc1nnc(-c2ccc(Br)cc2)o1 7510429 PYBRNZFWEAJSLD-UHFFFAOYSA-N 404.289 4.620 0 40 HJAB COc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c(C)c1 7603233 UQABOPWOFXWNDU-YBEGLDIGSA-N 402.859 4.925 0 40 HJAB O=C(CCc1c[nH]c2ccccc12)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 7781055 DLKCLLMMZSZHBV-UHFFFAOYSA-N 420.900 4.995 0 40 HJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(N3CCCCC3=O)cc2)cc1 8339772 VCQTYFXNVRBAER-HSZRJFAPSA-N 406.526 4.970 0 40 HJAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2COc2ccccc2)c1 8427754 JEFOHLZDJXUIJD-UHFFFAOYSA-N 415.898 4.575 0 40 HJAB CCOc1cc(C=O)ccc1OCCCSc1nnc(-c2ccc(C)cc2)n1C 8731740 XMPQDMHAPGLFGI-UHFFFAOYSA-N 411.527 4.563 0 40 HJAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(SCCN2CCCC2)s1 9324722 CNDALALSJSYIIQ-UHFFFAOYSA-N 418.375 4.677 0 40 HJAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Sc3ccc(C)cc3)s2)c(OC)c1 9347045 OTJRPKQUIUBCRM-ZDUSSCGKSA-N 415.540 4.650 0 40 HJAB CC(C)N(C(=O)CSc1nnc(C2CC2)n1C)c1ccc(Nc2ccccc2)cc1 9378737 UPSFKRDTJLWHHJ-UHFFFAOYSA-N 421.570 4.970 0 40 HJAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1cccc(Cl)c1 9559341 VKZIBRXYRIIWJC-KSSFIOAISA-N 423.694 4.881 0 40 HJAB O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1ccc(N2C(=O)CCC2=O)cc1 9599505 SAXHWWZQPVXMRR-UHFFFAOYSA-N 420.277 4.509 0 40 HJAB C[C@H]1Oc2ccc(NC(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)cc2NC1=O 9866111 BCUCKSAWGLOVKT-MRXNPFEDSA-N 424.460 4.511 0 40 HJAB O=C(NCCOc1ccccc1F)c1ccccc1-c1ncc(-c2ccccc2)o1 9884504 HFABMROUIVQRFV-UHFFFAOYSA-N 402.425 4.957 0 40 HJAB COc1ccccc1C(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccc(C)cc1 10059797 GWXXUXBXSROFJF-GOTSBHOMSA-N 424.504 4.976 0 40 HJAB COc1ccc(SCCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 10219558 NTBALMVXPKNSKI-UHFFFAOYSA-N 400.525 4.948 0 40 HJAB CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 12111532 GQEKSJBUHAYGCZ-HNNXBMFYSA-N 409.486 4.839 0 40 HJAB Cc1c(-c2ccccc2)oc2c(C(=O)OCc3nccn3C(F)F)cccc2c1=O 12529546 SQMACZACTXSFRC-UHFFFAOYSA-N 410.376 4.717 0 40 HJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4Cc5c(c(C)nn5C(C)=O)[C@@]4(C)CC[C@H]32)C1 12656231 DLCTVKXJNPOKCT-JQOWFYNESA-N 412.574 4.840 0 40 HJAB biogenic C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 13685589 LBDFVVHENCDLMQ-QGZVFWFLSA-N 422.912 4.719 0 40 HJAB O=c1[nH]c(SCc2ccccc2)nc(O)c1C(c1ccccc1)c1ccccc1 13764518 HHCBYHPBZGSTDQ-UHFFFAOYSA-N 400.503 4.948 0 40 HJAB Oc1ccc(N2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 20887306 RDZWWNMRSPJVNF-UHFFFAOYSA-N 406.486 4.530 0 40 HJAB CN1CCc2nc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)sc2C1 23608047 AGLXKFCKTNRAEZ-UHFFFAOYSA-N 406.536 4.660 0 40 HJAB Cc1ccc(-c2csc3nc(CN(C)CCOc4ccccc4)[nH]c(=O)c23)s1 23908378 QFQGVFPWIRJKJT-UHFFFAOYSA-N 411.552 4.532 0 40 HJAB O=C(NC1CC1)[C@@H](NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1ccccc1 25692401 QOSGHZVUQZOJMJ-HOYXEVIHSA-N 408.545 4.893 0 40 HJAB COc1ccccc1CN(C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 26475583 VRQXLJQCENXGBT-GFCCVEGCSA-N 400.828 4.826 0 40 HJAB Cc1cc(C(=O)OCc2nc3ccccc3s2)c2cnn(Cc3cccs3)c2n1 32908834 OERZNCRDQRAFHS-UHFFFAOYSA-N 420.519 4.816 0 40 HJAB CSc1cccc2sc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)nc12 35590380 KWEKNIYLPQSYPX-UHFFFAOYSA-N 421.950 4.773 0 40 HJAB CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 36104806 KNQFVMFTIGUJOB-GDZNZVCISA-N 404.967 4.780 0 40 HJAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N(C)Cc1ccccc1Br 39996374 XRQHTYLUJLOJQE-UHFFFAOYSA-N 406.368 4.510 0 40 HJAB O=C(Cc1csc(Cc2ccccn2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 40128667 YTHGHJHZNLFOFR-UHFFFAOYSA-N 411.836 4.982 0 40 HJAB COc1c(C)cccc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 41091656 SBLUQQOTYLRITB-ZDUSSCGKSA-N 400.544 4.567 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 44855364 DXYWFGYPDCIKGT-SIKLNZKXSA-N 410.533 4.765 0 40 HJAB CCOc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2-c2cccnc2)cc1 49003589 JJANXWUQJRUFSB-UHFFFAOYSA-N 413.481 4.597 0 40 HJAB O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 58058938 KCBLIVUYSBFMFU-UHFFFAOYSA-N 414.914 4.712 0 40 HJAB Cc1cc(SCC(=O)NCc2ccccc2Cl)nc(-c2cccc(F)c2)n1 67257257 QSBRZQXOSKXRDY-UHFFFAOYSA-N 401.894 4.653 0 40 HJAB O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)C1CCCC1 72341417 BJZPMXNUCFTXNP-QUCCMNQESA-N 401.551 4.542 0 40 HJAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)c2ccccc2Br)C1 77200114 ZGVVDUXXCAPFLP-CVEARBPZSA-N 417.303 4.739 0 40 HJAB CC(C)c1cnc(COC(=O)[C@@H](C)Oc2ccc(Br)cc2F)s1 96008813 GNYQDBIWLUJCQC-SNVBAGLBSA-N 402.285 4.679 0 40 HJAB Cc1ccc(NC(=O)c2cc(-c3cnc(Nc4ccccc4)nc3)cn2C)cc1F 96037600 SBCDAESCIITXEZ-UHFFFAOYSA-N 401.445 4.926 0 40 HJAB O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 96103582 ZRBFDMLQWWQPDQ-UHFFFAOYSA-N 402.416 4.576 0 40 HJAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(Cl)cc3)C2=O)cc1 102702818 NCMXLZBQFZUUHH-FDFHNCONSA-N 418.880 4.700 0 40 HJAB COC(=O)c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)o1 106681298 MWDRLXVDWKBBRP-MOSHPQCFSA-N 419.458 4.970 0 40 HJAB Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c1 109072480 SKROBGRNZMLODW-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB C[C@H](Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)O)c1ccccc1 217583149 OSNLQKINKLIZGO-INIZCTEOSA-N 416.543 4.559 0 40 HJAB CC[C@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cc(C)ccc1C)S(C)(=O)=O 220543605 IAUNGWDIGDSKTA-HXUWFJFHSA-N 416.587 4.919 0 40 HJAB COc1ccc2cc(S(=O)(=O)N[C@@H]3CC(C)(C)Oc4ccc(C)cc43)ccc2c1 222673114 SNVNMRHUHMBJDR-OAQYLSRUSA-N 411.523 4.738 0 40 HJAB Cc1ccc(CN(C(=O)CCCOc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223811666 JUSACEYIZRDCAF-NRFANRHFSA-N 422.569 4.630 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1 223943311 XUZABWRDSJYQAO-IBGZPJMESA-N 422.550 4.547 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 223988929 QDPDQQDRZDCMGW-XMMPIXPASA-N 424.585 4.578 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc12 224671735 NKLFYEYUZPGHMZ-LJQANCHMSA-N 420.528 4.853 0 40 HJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224938998 SOGYAEFYWNGMSV-QFIPXVFZSA-N 412.961 4.749 0 40 HJAB CCOC1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC(C)CC1 225720244 XAYXZKRSSIEXPV-UHFFFAOYSA-N 402.579 4.721 0 40 HJAB COc1ccc(N(C)C(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 225910665 ZWGMXLHHMFMBOC-OAHLLOKOSA-N 407.341 4.877 0 40 HJAB O=C(c1nccc2ccccc12)N1CCO[C@H](c2cccc(-c3cccc(F)c3)n2)C1 257233183 GODQPERYQPCORT-QHCPKHFHSA-N 413.452 4.650 0 40 HJAB CCN(CC(=O)Nc1cc(Br)ccc1Br)c1ccccc1 408546348 HNMNNLAFERCACY-UHFFFAOYSA-N 412.125 4.677 0 40 HJAB COc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)c1 408698090 NNYHVGHOPBOBEJ-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB CCn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2cc(Cl)ccc21 408712995 FOQRDYTUKNDRFE-UHFFFAOYSA-N 408.929 4.770 0 40 HJAB CCOc1cc2c(cc1/C=C1/SC(=O)N(c3ccc(Cl)cc3)C1=O)OCO2 409191616 JGYOYSCVKMVDRX-CAOOACKPSA-N 403.843 4.708 0 40 HJAB COc1ccc(Br)c(C(=O)NC[C@H](c2ccco2)c2cccs2)c1 585146763 MVYVKBGCLWUNLY-CQSZACIVSA-N 406.301 4.674 0 40 HJAB Cc1ccc2ncc(-c3cccc([C@@H]4CCCN(C(=O)C5CCCCC5)C4)n3)n2c1 2037846400 QCSZREXDNNDBQU-HXUWFJFHSA-N 402.542 4.991 0 40 HJAB Cc1ccc(C)c(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c1 918245 LXARHRHGOUNIMU-UHFFFAOYSA-N 400.360 4.877 0 40 HJAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)c4cccc(OC)c4)ccc23)cc1 950425 KZXRQLLOLDNBNL-UHFFFAOYSA-N 416.429 4.739 0 40 HJAB biogenic COc1ccc([C@@H]2C(=O)c3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1OC 980137 XRISBRYUSHBIJR-RPWUZVMVSA-N 404.462 4.833 0 40 HJAB CC(C)(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1 990056 SJHBISMGZKGULC-MHZLTWQESA-N 413.517 4.992 0 40 HJAB COc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(C)C)cc4)no3)C2)c1 1360237 FBPSZRBDRDPXCM-HXUWFJFHSA-N 405.498 4.888 0 40 HJAB CC(=O)c1c(C)oc2c(Br)cc(NS(=O)(=O)c3ccccc3C)cc12 2184760 QMZCBLRTSACTTE-UHFFFAOYSA-N 422.300 4.816 0 40 HJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)cc1 2582411 WKNLBNJYSANHTA-UHFFFAOYSA-N 423.538 4.992 0 40 HJAB COc1cccc(-n2c(SCc3ccc(OC)c(F)c3)nc3ccccc3c2=O)c1 2618401 UHPZJUUOHNGZGE-UHFFFAOYSA-N 422.481 4.834 0 40 HJAB Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1c[nH]c2ccccc12 3362147 KSEMOBIDGRLEFP-UHFFFAOYSA-N 412.902 4.504 0 40 HJAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)NCc1ccco1 3384141 ZYKOLSLESCKWRK-UHFFFAOYSA-N 403.265 4.698 0 40 HJAB Cc1ccccc1-n1nnnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 3386854 BTRDNLRFFOWTSO-FQEVSTJZSA-N 419.485 4.582 0 40 HJAB CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc2c1 3618428 OILRITYNNJXVEY-UHFFFAOYSA-N 411.405 4.591 0 40 HJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(N4CCCCC4)cc3)o2)c1 4509812 KLZDTDWLSGFYCL-UHFFFAOYSA-N 408.527 4.766 0 40 HJAB CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1 4685316 DTZZKEFMHDXETG-UHFFFAOYSA-N 412.584 4.771 0 40 HJAB CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 4847988 UTGNJENWGQDJGZ-QFIPXVFZSA-N 416.562 4.859 0 40 HJAB CCOc1cc(-c2nn3c(-c4ccoc4C)nnc3s2)cc(OCC)c1OCC 4938940 UBFXZURWAWEPMO-UHFFFAOYSA-N 414.487 4.617 0 40 HJAB COc1ccc2sc(N(CCN(C)C)C(=O)Cc3cccc4ccccc34)nc2c1 5121530 CBZZCVAUIGQPOL-UHFFFAOYSA-N 419.550 4.595 0 40 HJAB Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccccc2F)c1 5156618 HFSYNAXVXURBJA-OAQYLSRUSA-N 400.409 4.694 0 40 HJAB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(F)cc1 5477774 MJAZDKBHCGANFG-UHFFFAOYSA-N 405.882 4.645 0 40 HJAB Cn1c(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)nc2ccccc21 6566908 RDDFKPCFEUQGNR-UHFFFAOYSA-N 419.554 4.787 0 40 HJAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 6629891 HWGAHFYCDYLQSU-UHFFFAOYSA-N 410.370 4.962 0 40 HJAB CCCC[C@@H](C)Cn1c(SCC(=O)NC2CC2)nnc1-c1ccc(Cl)cc1 6652098 FPDHUKFCORWSIX-CQSZACIVSA-N 406.983 4.796 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4cc(C)cc(C)c4)ccc32)cc1 6767052 DGPQHBDPVQAFIX-UHFFFAOYSA-N 420.534 4.616 0 40 HJAB O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl)c1ccco1 6889228 AJJXYTXXWCGXBS-UHFFFAOYSA-N 411.266 4.640 0 40 HJAB CCn1c(SCCCOc2ccc(C=O)cc2OC)nnc1-c1ccc(C)cc1 8731810 PAIFFCLHAQEQIQ-UHFFFAOYSA-N 411.527 4.656 0 40 HJAB Cc1c(CC(=O)NCc2cccnc2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8792031 YCIMAMBWKGXNSZ-UHFFFAOYSA-N 424.456 4.769 0 40 HJAB biogenic O=C(CSc1nc(CC(=O)NC2CCCCC2)cs1)Nc1ccc(Cl)cc1 8852316 SLZXEGOEBSUGIO-UHFFFAOYSA-N 423.991 4.519 0 40 HJAB O=C(CCc1nc(-c2ccsc2)no1)N1CCC[C@H]1c1nc2ccccc2s1 9516482 NPHMQDRMCIEXTF-HNNXBMFYSA-N 410.524 4.704 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2Cl)cc1C 10112566 JGBAWKIWULPGKO-CQSZACIVSA-N 420.962 4.630 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2C)cc1 10364306 XAMQOXADAXARTM-GOSISDBHSA-N 408.523 4.595 0 40 HJAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc(-c2ccccn2)nc2ccccc12 11652516 OYENTDDOSGQXPG-SANMLTNESA-N 422.532 4.864 0 40 HJAB CCCC(=O)Nc1c(-c2ccc(OC)cc2)c(=O)c(C)nn1-c1ccc(CC)cc1 11692029 FALJLJIORFIHCA-UHFFFAOYSA-N 405.498 4.518 0 40 HJAB COc1cc2cc(C3CCN(C(=O)c4cc(F)ccc4OC)CC3)ncc2cc1C 12188109 WYCSZLIJABSFOO-UHFFFAOYSA-N 408.473 4.719 0 40 HJAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H](C)Oc1ccc(C)cc1 12480940 YCOBOPXFZFFFKC-AWEZNQCLSA-N 409.313 4.556 0 40 HJAB O=S(=O)(N[C@@H]1CCSc2ccccc21)c1ccc(Br)cc1Cl 12752361 QTKKFAVWQLTFJM-CYBMUJFWSA-N 418.765 4.618 0 40 HJAB Cc1cc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)nc(C(C)C)n1 12753523 GEFNSNZKZYCBFX-UHFFFAOYSA-N 424.932 4.784 0 40 HJAB CCOc1ccc(Oc2ccccc2NC(=O)CCCNC(=O)c2ccco2)cc1 12813218 UXNIGUYDWSTEGV-UHFFFAOYSA-N 408.454 4.619 0 40 HJAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@H](C)c1ccccc1Br 12910727 DJQBMAYWASDYRW-LLVKDONJSA-N 407.333 4.659 0 40 HJAB Cc1nc(N(C)CC(=O)Nc2cccc(C)c2C)c2c3c(sc2n1)CCCCC3 13070604 CRTHVWQMQGTILX-UHFFFAOYSA-N 408.571 4.960 0 40 HJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)c1ccc(Br)cc1 13146068 SMUPRALNFNPVJC-UHFFFAOYSA-N 410.193 4.906 0 40 HJAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCCCC2)o1 15860447 VSTQCSRLMJGXMD-LJQANCHMSA-N 413.905 4.853 0 40 HJAB S=C(NC[C@@H]1CCC[C@@H](CNC(=S)Nc2ccccc2)C1)Nc1ccccc1 16489883 LGRUFGOYKVRLQQ-QZTJIDSGSA-N 412.628 4.766 0 40 HJAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)SCc2ccc(Br)cc2)c1 16643980 NHFMMHSDEVAFTO-GFCCVEGCSA-N 407.333 4.668 0 40 HJAB CC(=O)NC(=S)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 17094114 AUGCZUGNTZPLSF-UHFFFAOYSA-N 424.707 4.744 0 40 HJAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccccn2)C1 19449576 SWKAUBCPIPOALM-MHZLTWQESA-N 413.565 4.708 0 40 HJAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C[C@@H]2C=CCC2)C1 19591062 FIBODCOWCPLBKL-KBMIEXCESA-N 422.594 4.669 0 40 HJAB Cc1nc(-c2cc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)n(C)c2)cs1 24750194 OOHSBCWVNZVQFE-UHFFFAOYSA-N 406.511 4.618 0 40 HJAB COc1ccc2nc(C)c(C(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)cc2c1 25804902 VTVBZKVKRZYEDU-UHFFFAOYSA-N 418.493 4.866 0 40 HJAB Cc1ccc(Oc2ccc(NC(=O)CCn3c(C)nc4ccccc4c3=O)cc2)cc1 29756698 PVEJEUMNYXIOQT-UHFFFAOYSA-N 413.477 4.834 0 40 HJAB O=C(Cn1ccc2c(Cl)cccc21)N1CCC(c2noc3cc(F)ccc23)CC1 32094381 BCIDNECDZVHCAS-UHFFFAOYSA-N 411.864 4.981 0 40 HJAB COc1ccc(CC(=O)Nc2ccc(-c3nc(-c4ccc(OC)cc4)no3)cc2)cc1 32593650 HSJBLOMQKGGZOQ-UHFFFAOYSA-N 415.449 4.602 0 40 HJAB Cc1ccc(NC(=O)C2CCN(c3nccn4nc(-c5ccccc5)cc34)CC2)cc1 33267979 ZOWXKQGBUBYXMC-UHFFFAOYSA-N 411.509 4.560 0 40 HJAB CCc1ccc(N2C(=O)/C(=C/c3cc(Br)cs3)C(O)=NC2=S)cc1 35131781 QJUOPYZLRUXXAL-RIYZIHGNSA-N 421.341 4.745 0 40 HJAB Cc1ccc(OCCC(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 40106663 WMIUSXNJICFBEH-UHFFFAOYSA-N 424.522 4.512 0 40 HJAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(OC(C)C)cc2)c1 40283618 TXRNDGKREHSMBO-GOSISDBHSA-N 407.470 4.800 0 40 HJAB NC(=O)c1cccc(CCNC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)c1 58244774 BTTOBAMOBZCLNG-PKNBQFBNSA-N 410.926 4.540 0 40 HJAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 59500389 UBGFDMPNBIZBBN-ZCOIRKDISA-N 409.485 4.656 0 40 HJAB biogenic COc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc(OC)c1 67296711 IWLZMDYLYMFXLL-LCUIJRPUSA-N 415.449 4.638 0 40 HJAB Cc1nc([C@H]2CCCCN2CCc2ccccc2)ncc1C(=O)Nc1ccccc1F 72345448 QJMPRDXRGBQFPK-HSZRJFAPSA-N 418.516 4.946 0 40 HJAB O=C(Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccccc1)N2)c1ccc(F)cc1 101026057 YAGIMAIBHINPKF-NRFANRHFSA-N 411.440 4.726 0 40 HJAB COc1cc(OC)cc([C@@H]2Nc3nonc3N=C3C[C@H](c4ccccc4)CC(O)=C32)c1 102833971 VLUJEIMXDCWPNN-QKKBWIMNSA-N 418.453 4.716 0 40 HJAB O=C(O)c1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 106717727 OXTQPPNUXMUKEL-NVNXTCNLSA-N 408.262 4.928 0 40 HJAB CCOc1ccc(Br)cc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222585609 OADJETGXLHCHPK-RZAIGCCYSA-N 418.360 4.832 0 40 HJAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 222863425 GNKSSSHSSMQDGU-GOSISDBHSA-N 414.977 4.831 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 223142017 VNWVOYIXMYQDJI-SFHVURJKSA-N 400.950 4.525 0 40 HJAB COc1cc2c(cc1S(=O)(=O)N[C@H](c1ccccc1)c1ccccc1C)CCCC2 223301141 VTQZHROBTZSMIA-RUZDIDTESA-N 421.562 4.950 0 40 HJAB CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 223420553 IFLJZYQYRAOJNH-XMMPIXPASA-N 420.940 4.789 0 40 HJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC(C)(C)C)cc1 223421330 RGRXIXVJJVFGBY-UHFFFAOYSA-N 404.532 4.571 0 40 HJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 223638374 BJPNAEHDIFUSKW-JOCHJYFZSA-N 414.977 4.915 0 40 HJAB CC(C)(C)c1ccc(-c2noc(CNC(=O)COc3cccc4c3CCCC4)n2)cc1 224195134 VHVRRBPMHGKWAB-UHFFFAOYSA-N 419.525 4.608 0 40 HJAB COC(=O)c1cc(NC(=S)NCCSc2ccc(Cl)cc2)ccc1Cl 225288326 JZAOIGDIXSKNKA-UHFFFAOYSA-N 415.367 4.859 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 225555137 RQCHBYWBEDJRRC-GCJKJVERSA-N 414.977 4.913 0 40 HJAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C)n1 225876684 ARDWJOYYWNQSCN-UHFFFAOYSA-N 402.922 4.909 0 40 HJAB C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N1CCC(Cc2ccccc2)CC1 253398378 HDWRJKMOASGMJV-INIZCTEOSA-N 408.473 4.629 0 40 HJAB biogenic,in-vitro COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4scnc4C)C3)c2)cc1 257243311 IGISWWJBQKMBGN-GOSISDBHSA-N 407.539 4.850 0 40 HJAB O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccc2noc(-c3ccccc3)c2c1 390829500 ZKHWEUZOJFCCEZ-LJQANCHMSA-N 402.454 4.513 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(=O)NC1CCCCC1 408554094 ZBCCFVOPBCXGHJ-UHFFFAOYSA-N 406.935 4.512 0 40 HJAB Cc1ccc(CN2C(=O)N/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)C2=O)cc1 409254256 WLJYMGWLCAWPOR-FYJGNVAPSA-N 405.885 4.840 0 40 HJAB Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1C 705071 AOPBXOFJEYMYCG-UHFFFAOYSA-N 415.518 4.733 0 40 HJAB CC(C)OC(=O)CSc1nnc(CNc2ccc(F)cc2)n1C1CCCCC1 905081 HTLYPTIXAAPNOI-UHFFFAOYSA-N 406.527 4.578 0 40 HJAB O=C(COc1ccc(C(=S)N2CCCC2)cc1)Nc1cc(Cl)cc(Cl)c1 1105206 DMASDZANWHUYCO-UHFFFAOYSA-N 409.338 4.782 0 40 HJAB COc1ccc(CNc2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n2)cc1 2496462 LBDYIULRQFPZCG-UHFFFAOYSA-N 419.403 4.800 0 40 HJAB Cc1cc(-c2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)nn1C 2731526 CKNAUHDLLYTKLK-UHFFFAOYSA-N 420.329 4.542 0 40 HJAB O=C(c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCOCC1 2951031 HMOQVQBDXOXKPH-UHFFFAOYSA-N 407.520 4.559 0 40 HJAB COc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c(OC)c1 3227447 XSPTZXJBUPKWRN-UHFFFAOYSA-N 410.282 4.781 0 40 HJAB CCOc1ccccc1NC(=O)[C@@H](Sc1nnc2ccccn12)c1ccccc1 3355039 PAOLWRPIESXPLA-FQEVSTJZSA-N 404.495 4.600 0 40 HJAB C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccccc1-c1ccccc1 3442573 VDUPDSDNQUWFPC-INIZCTEOSA-N 415.518 4.720 0 40 HJAB CN(C)CCN(C(=O)c1nc2ccccc2s1)c1nc2ccc(Cl)cc2s1 4359184 UDJHNLKMTWQPBX-UHFFFAOYSA-N 416.959 4.768 0 40 HJAB CCc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1cccc(OC)c1 4518205 JAYOIXDQDVLBCL-UHFFFAOYSA-N 419.529 4.814 0 40 HJAB O=C1N[C@@H](c2cccc(Cl)c2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 4525612 BTLPDUADAMVPBD-HXUWFJFHSA-N 409.942 4.814 0 40 HJAB CCOc1ccccc1-c1nn2c(-c3ccccc3Br)nnc2s1 4664915 XSXYXQVSRHLBIH-UHFFFAOYSA-N 401.289 4.681 0 40 HJAB O=C(Nc1ccc(Cl)cc1)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 4723328 CPRFFHNLNALTKJ-UHFFFAOYSA-N 408.841 4.986 0 40 HJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(F)cc1)N(CCCOC(C)C)C3=O 5215875 UBWGBXYSYLEFEV-QFIPXVFZSA-N 423.484 4.909 0 40 HJAB O=C(O)CSCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 5899253 GOTAKHNDELATSL-YFXMHUDWSA-N 420.534 4.627 0 40 HJAB CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 6540824 XXTCHENURXSURJ-UHFFFAOYSA-N 420.962 4.890 0 40 HJAB COCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccccc1F 6665205 WGEVCLHSSPRGOA-UHFFFAOYSA-N 406.461 4.686 0 40 HJAB O=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 6790217 YKJQXFRUMQJNKZ-UHFFFAOYSA-N 405.479 4.634 0 40 HJAB CN(C)C(=O)[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 6993542 KTPPUSACNHWIIO-NRFANRHFSA-N 414.534 4.856 0 40 HJAB S=c1[nH]c(-c2ccc(Cl)cc2Cl)nn1CN(Cc1ccncc1)C1CC1 7317901 FCHYUCBVMMJPJU-UHFFFAOYSA-N 406.342 4.932 0 40 HJAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccc(F)cc3F)sc2n1 7604258 ITPZPLBVMIOHLJ-UHFFFAOYSA-N 406.483 4.544 0 40 HJAB CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2CC)C1 7881969 FUJKMJRYTUWQNL-MRXNPFEDSA-N 415.331 4.566 0 40 HJAB C[C@@H](Oc1ccc2c(c1)[nH]c1ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1 8190658 URUKCCJSIHTUJP-QGZVFWFLSA-N 415.493 4.564 0 40 HJAB COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@H]2c1cc(OC)c(OC)c(OC)c1 8306777 MIDMTBZLZSFHQP-WIRVKHDMSA-N 414.498 4.875 0 40 HJAB O=C(NCc1ccccc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 8476842 JKSJJBKURMBOSS-UHFFFAOYSA-N 406.848 4.657 0 40 HJAB O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)no1 8649037 YVMZCXZPBPJQET-OAHLLOKOSA-N 424.309 4.569 0 40 HJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@H]3C2=O)c1 8741673 FNZHQOGUUKMVSU-AABGKKOBSA-N 424.909 4.761 0 40 HJAB COc1ccc(-c2c(NC(=O)c3ccc(F)cc3)oc3ccccc3c2=O)cc1OC 9216038 MZFSIRVKZMXJHD-UHFFFAOYSA-N 419.408 4.869 0 40 HJAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)cc1 9667985 AWPIXYTYCRTPCF-SFHVURJKSA-N 424.522 4.581 0 40 HJAB O=C(CSc1nnc(NC(=O)Nc2ccccc2)s1)Nc1cccc(Cl)c1 9744143 DVLZHTNTZAVCFE-UHFFFAOYSA-N 419.919 4.566 0 40 HJAB O=C(CCc1nc(-c2ccsc2)no1)N[C@H](c1ccc(F)cc1)c1cccs1 10292489 GDKODXKELXDHIN-LJQANCHMSA-N 413.499 4.837 0 40 HJAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)sc(C)c1C 11916927 TYTZYAAPEUSXTC-UHFFFAOYSA-N 402.447 4.896 0 40 HJAB COc1ccccc1-n1c(SCc2cccnc2)nc2cc(Cl)ccc2c1=O 12537544 CABYUWULTAKXPE-UHFFFAOYSA-N 409.898 4.735 0 40 HJAB COc1ccc(CCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1OC 12538508 MLGQEZIFDFTRAB-UHFFFAOYSA-N 401.466 4.818 0 40 HJAB O=C1C[C@@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2N1 12736086 ZTDBIHVMZJDFBQ-CYBMUJFWSA-N 402.294 4.789 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4ccccc4C)ccc32)cc1 13583646 DWLSPCSQNNQDHR-UHFFFAOYSA-N 420.534 4.697 0 40 HJAB CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 13757644 XMMKDNVRLXROGB-AEMJNJESSA-N 410.489 4.721 0 40 HJAB COc1ccccc1/C=C/C(=O)OCC(=O)c1cc(C)n(CCc2ccccc2)c1C 14129623 HOZYIDGXACUKHX-BUHFOSPRSA-N 417.505 4.796 0 40 HJAB COc1ccccc1CCC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C 15318257 BDHXHVADZANNDC-UHFFFAOYSA-N 413.905 4.768 0 40 HJAB Clc1ccc(Nc2nc(NC[C@H]3CCCO3)nc3c2cnn3-c2ccccc2)cc1 17200423 LWSWWCPNBLYBCL-GOSISDBHSA-N 420.904 4.803 0 40 HJAB CCOC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccc(C)c(C)c3)o2)c1 17306670 KSVWQRGYMRZQDC-UHFFFAOYSA-N 410.495 4.866 0 40 HJAB O=C(CSc1ccc(F)cc1F)N(C[C@H]1CCCO1)c1nc2ccccc2s1 19295323 ZESCPOCBEFGMKS-CQSZACIVSA-N 420.506 4.879 0 40 HJAB Fc1ccc(N2C(c3ccccc3)=N[C@@H](N3CCCCC3)[C@@H]2N2CCCCC2)cc1 19327827 MLEUFHNJSXGUHY-LOSJGSFVSA-N 406.549 4.717 0 40 HJAB Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)C(C)(C)C)CC1 19700035 WXJNXFMBGPDYIG-UHFFFAOYSA-N 420.597 4.948 0 40 HJAB COc1ccc2[nH]c(C)c(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)c2c1 19717745 VVPUNYLFCDCDTP-FQEVSTJZSA-N 406.482 4.624 0 40 HJAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(OC)c(OC)c3)sc2c1 20411421 GTBHKYXQPHVSJV-UHFFFAOYSA-N 414.483 4.523 0 40 HJAB C[C@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(=O)N(C)c1ccccc1 22470722 OXQBYGGBRNOBJS-KRWDZBQOSA-N 411.461 4.505 0 40 HJAB Cc1ccc2nc(COc3ccc(C(=O)N4CC[C@H]5CCCC[C@H]5C4)cc3)cn2c1 23233250 ZNKUVEYZUAZQOY-CTNGQTDRSA-N 403.526 4.874 0 40 HJAB Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)C(C)C 23546933 KLHSSIWQQSXYND-KXBFYZLASA-N 406.448 4.646 0 40 HJAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1cc(-c2ccncc2)nc2ccccc12 30128604 RGGAILIEVVBULJ-UHFFFAOYSA-N 422.488 4.672 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)c(Cl)c2)cc1 30755415 IKTVMQIEOFLFBH-UHFFFAOYSA-N 406.935 4.512 0 40 HJAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@H]1CC(=O)N(Cc1ccccc1)C1CC1 31070252 MKZMVYWVXMXLFO-SFHVURJKSA-N 420.456 4.700 0 40 HJAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(OC)c2OC(C)C)cc1 36359985 SDYOJNVDZMDDPO-GOSISDBHSA-N 407.470 4.800 0 40 HJAB CCOc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 44912628 QELRJAGZIMSYSC-UHFFFAOYSA-N 421.368 4.921 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCOc1ccc(F)c(Cl)c1 48287543 FXLAZHVIMJGTGT-UHFFFAOYSA-N 415.896 4.709 0 40 HJAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)Cc3ccc4c(c3)OCO4)c12 48356220 YXJRIPNHTVDJLB-UHFFFAOYSA-N 422.529 4.619 0 40 HJAB CN(Cc1ccc2c(c1)OCO2)C(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 57638842 XHEDQBJBXAJRHV-ADXLDGDMSA-N 403.522 4.912 0 40 HJAB CCC[C@H](NC(=O)NCC(=O)Nc1ccc(Br)cc1C)c1cccs1 58223051 MZVKRUIPVTYBSY-HNNXBMFYSA-N 424.364 4.598 0 40 HJAB C[C@H](NC(=O)c1cnc2scc(-c3ccccc3Cl)n2c1=O)c1ccccc1 64787980 MNDUMNZCMLRREY-ZDUSSCGKSA-N 409.898 4.567 0 40 HJAB COc1cc(Cl)ccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 72331352 ZKXJGPIMRXPBNH-UHFFFAOYSA-N 420.940 4.896 0 40 HJAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4cnn(C)c4C)C3)c(-c3ccncc3)c2c1 72396782 DWMGXQVLEOHIRC-LJQANCHMSA-N 413.525 4.600 0 40 HJAB COc1ccccc1/C=C/CN1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 72398589 MFADXOOQCKMLBA-MYBSHTFJSA-N 421.585 4.719 0 40 HJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 77197734 PXAJQDOUNCKLCB-UHFFFAOYSA-N 409.195 4.807 0 40 HJAB Cc1noc(C)c1CC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 84023110 DTZOEJNIDIUNNA-STQMWFEESA-N 403.910 4.529 0 40 HJAB Fc1ccccc1-c1nnc(C2(c3cccc(Br)c3)CCOCC2)o1 84514865 YDFIZJLOCQSZBN-UHFFFAOYSA-N 403.251 4.735 0 40 HJAB C[C@H](C(=O)Nc1nc(-c2cccnc2)cs1)c1ccc(C[C@H]2CCCC2=O)cc1 95476391 CUIGGZNWFHRQSI-MAUKXSAKSA-N 405.523 4.859 0 40 HJAB Cc1nc([C@@H]2CCCCCN2C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)no1 96001124 GCXSRBXZSFKMSX-SFHVURJKSA-N 421.526 4.844 0 40 HJAB COC(=O)C[C@H](c1ccsc1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96114001 PWSHPGSHAZDNME-OAHLLOKOSA-N 422.458 4.628 0 40 HJAB biogenic CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1csc(-c2ccccc2)n1 97141253 BAOPAAZBCGAANU-UHFFFAOYSA-N 411.502 4.829 0 40 HJAB O=C1C[C@@H](Nc2ccc(OCc3ccccc3)cc2)C(=O)N1c1cccc(Cl)c1 102988286 KUSMERDOQFVKLU-OAQYLSRUSA-N 406.869 4.663 0 40 HJAB CCOc1ccc(-c2nc(CN3c4ccccc4[C@@H](C(N)=O)C[C@H]3C)cs2)cc1 106569863 JKENDNPRRLVPKG-QRWLVFNGSA-N 407.539 4.577 0 40 HJAB Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 107732956 VOYQBJZKQSYKPI-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C 222611047 GQXKFAYKAJODIP-XUZZJYLKSA-N 408.586 4.611 0 40 HJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2cccnc2)c1C 222952661 FJTCCVVLMSPUBX-GOTSBHOMSA-N 419.598 4.716 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 223135170 BQKPMFAINOYRLL-NRFANRHFSA-N 408.586 4.824 0 40 HJAB CCCc1ccc(OCCNC(=O)COc2ccc(CC)cc2Br)cc1 224248886 VGTCZQMFHYFSRI-UHFFFAOYSA-N 420.347 4.538 0 40 HJAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225575323 NPMIWHVBUYMARE-UHFFFAOYSA-N 418.896 4.507 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 225617044 GXQBXMYJKWDYME-PGRDOPGGSA-N 414.977 4.995 0 40 HJAB Cc1ccc(-c2nnc(NC(=O)C3CCN(Cc4cccc(C)c4)CC3)s2)cc1 225775075 BVCIJZROCQFMRE-UHFFFAOYSA-N 406.555 4.673 0 40 HJAB Cc1nc2ccccn2c1-c1nnc2sc(-c3cc(Cl)ccc3Cl)nn12 227142913 YWJVLDOCCPWKOB-UHFFFAOYSA-N 401.282 4.783 0 40 HJAB Cc1cc(O)c(C2=Nc3ccccc3N[C@H](c3ccc(OC(F)F)cc3)C2)c(=O)o1 227173287 IGORFQMYNGLKMT-KRWDZBQOSA-N 412.392 4.933 0 40 HJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 257277915 OAAMUCBDGCDGGD-UHFFFAOYSA-N 407.489 4.695 0 40 HJAB Cc1cccc2nc(C(=O)N3CCCC[C@@H]3c3ncc(Cc4cccc(F)c4)o3)cn12 257326415 WXDIEQWGPXCFAD-OAQYLSRUSA-N 418.472 4.728 0 40 HJAB CSc1nc(N2CCCC2)c2cc(C(=O)NCc3ccccc3Cl)sc2n1 408622503 QVWKGIARRBIQIO-UHFFFAOYSA-N 418.975 4.597 0 40 HJAB COc1cccc(C2=N/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C(=O)O2)c1 409071373 JPGVAFSKJPCYMB-LPYMAVHISA-N 403.409 4.758 0 40 HJAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(OC)c2O)C1 585262247 WLLLENHWDJEFQW-JQVVWYNYSA-N 403.906 4.932 0 40 HJAB COc1ccc(CC(=O)N2CCCCCCCN(C(C)=O)c3ccccc3C2)cc1C 643553247 FSXFBINDHNTABT-UHFFFAOYSA-N 422.569 4.892 0 40 HJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Br)cc(C(C)(C)C)c1O 1144183156 LKLBHFQCJHXQKJ-LLVKDONJSA-N 410.283 4.997 0 40 HJAB COc1cc(CNc2cccc(C(F)(F)F)c2)ccc1OCC(=O)NC(C)(C)C 679410 KEJNHJDWQNWQMG-UHFFFAOYSA-N 410.436 4.620 0 40 HJAB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2cc(Cl)ccc2Cl)CC1 812032 FGLKFVOEMIRSJD-UHFFFAOYSA-N 420.340 4.550 0 40 HJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)c1 904280 JKWUCMHOOBZTTI-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB Cc1cc(F)ccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 919312 ZJLFUBSIGDDSQU-CJNGLKHVSA-N 408.355 4.836 0 40 HJAB COc1ccccc1N(C1=NCCCS1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 1327882 KVBOLEVPXWKPPW-UHFFFAOYSA-N 418.584 4.681 0 40 HJAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc(F)cc2)C4)cc1 2114541 KGYQZMDVHHHZTF-UHFFFAOYSA-N 403.409 4.964 0 40 HJAB biogenic O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@H](c1ccccc1)N2)c1ccco1 2419199 ADNPCRIESJVMON-MSOLQXFVSA-N 419.872 4.923 0 40 HJAB COc1ccccc1NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 3234936 JDXRXNXBXSGJJN-UHFFFAOYSA-N 400.529 4.638 0 40 HJAB C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N(C)c1ccccc1 3356151 HYLZXTXCNOHLIL-MRXNPFEDSA-N 404.495 4.671 0 40 HJAB CCOc1ccc(-c2nc(NC(=O)Cc3ccc(OC)c(OC)c3)sc2C)cc1 3366686 PEJRHDLIBDDNRS-UHFFFAOYSA-N 412.511 4.716 0 40 HJAB Cc1cc2oc(=O)cc(COC(=O)c3cncc(Br)c3)c2cc1C(C)C 3512572 YENWWIKQTSEUEI-UHFFFAOYSA-N 416.271 4.739 0 40 HJAB CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1cccc2ccccc12 4512678 LHMHFVNJLSTCJW-UHFFFAOYSA-N 401.466 4.706 0 40 HJAB COC(=O)c1cc(NCc2ccc(-c3ccccc3)cc2)ccc1N1CCOCC1 4705455 WVHMUIAZEKJEHR-UHFFFAOYSA-N 402.494 4.589 0 40 HJAB Cc1ccc(C)c(OCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1 4910809 DRQNGQQOSJTSHA-LJQANCHMSA-N 405.542 4.847 0 40 HJAB CCOc1ccc(C(=O)CSc2nnc(-c3ccoc3)c(-c3ccoc3)n2)cc1 4993560 WIZMRKQAECFFJW-UHFFFAOYSA-N 407.451 4.765 0 40 HJAB Cc1cc(OCC(=O)OCc2nnc(-c3ccccc3)o2)c(C(C)C)cc1Cl 5185040 CYKPUGYYXUVADV-UHFFFAOYSA-N 400.862 4.944 0 40 HJAB C[C@H](Sc1nnc(C2CC2)n1C)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 6106330 GMAPUDMFBBXXIL-VIFPVBQESA-N 415.569 4.572 0 40 HJAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(Cl)c2)c1 6263889 USKXOJOEMWGSSR-UHFFFAOYSA-N 410.326 4.859 0 40 HJAB COc1ccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)c(OC)c1 6679150 IXZMWUJHEACFEH-YCRPNKLZSA-N 423.538 4.670 0 40 HJAB CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4F)o2)N3)C1 6762593 VYBVVRPWZVFLOF-FQEVSTJZSA-N 411.502 4.768 0 40 HJAB CCOc1cc(/C=C(\Sc2nnc(C)o2)C(=O)O)ccc1OCc1ccccc1 7603553 LRHCTFLHDBRHJS-UNOMPAQXSA-N 412.467 4.574 0 40 HJAB Cc1ccc(CNC(=O)[C@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)cc1 8174462 WYXPIHXVBOEBDR-ZDUSSCGKSA-N 405.445 4.754 0 40 HJAB CS(=O)(=O)c1ccc(C(=O)N(c2ccccc2)c2nc3ccccc3s2)cc1 8395718 OWBMTQVLPUIMAJ-UHFFFAOYSA-N 408.504 4.678 0 40 HJAB COc1cccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)cc3C)c3ccccn23)c1 9316572 KGEHBWZQDMPLJU-UHFFFAOYSA-N 413.477 4.630 0 40 HJAB Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2N=C(O)C[C@H]3c2cccc(O)c2)n1 9420582 KQZHSZBRZASZSU-IBGZPJMESA-N 411.465 4.775 0 40 HJAB O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc(-c2ccccc2)cc1 9829269 KDWWUDFITPYSKR-UHFFFAOYSA-N 416.458 4.608 0 40 HJAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 9904089 QZNDXDNFAYSFFK-INIZCTEOSA-N 412.536 4.607 0 40 HJAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 10273801 GYNVDKXYQCVPCD-UHFFFAOYSA-N 415.414 4.508 0 40 HJAB COc1cccc2c(C)cc3nnc(SCC(=O)Nc4c(C)cc(C)cc4C)n3c12 11903256 FUUHVXXMTILVMR-UHFFFAOYSA-N 420.538 4.856 0 40 HJAB COc1ccc(OCC(=O)Nc2nc(CSCc3ccc(F)cc3)cs2)cc1 12230223 HVTDDDYYJNDJQH-UHFFFAOYSA-N 418.515 4.742 0 40 HJAB CC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(-c3ccccc3)cc2)C1 12365805 IWKZSDWOUQINCP-DHIUTWEWSA-N 405.567 4.900 0 40 HJAB COc1ccccc1-c1cc(=O)c2cc(NC(=O)CCc3cc(Cl)no3)ccc2o1 12390025 GKWNJMVSPDFNSB-UHFFFAOYSA-N 424.840 4.681 0 40 HJAB biogenic O=C(/C=C/c1nc2ccccc2o1)OCc1csc(COc2ccc(F)cc2)n1 12942814 CBFJDAFUNGCQMR-MDZDMXLPSA-N 410.426 4.759 0 40 HJAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 13000733 UCJKZZIRHWJUTP-UHFFFAOYSA-N 415.902 4.612 0 40 HJAB CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 17950672 HKJYIXSCILEBFO-QRVBRYPASA-N 419.308 4.862 0 40 HJAB Cc1nccn1-c1ccc(CN2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)cc1 19288269 RPSRPDQWIDKGRT-FQEVSTJZSA-N 422.916 4.579 0 40 HJAB COc1cc(CN[C@H](Cc2ccsc2)c2nc(C)c(C)s2)cc(OC)c1OC 19559851 GSGMYONRFOHVSV-QGZVFWFLSA-N 418.584 4.921 0 40 HJAB COc1cc(C)c(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1C 19567267 RCEHUROTKZUMJL-XMMPIXPASA-N 423.601 4.823 0 40 HJAB CN(Cc1cccc(Cl)c1)C(=O)Cc1csc(COc2ccc(F)cc2)n1 22376670 DNCAPTRRIMNAHW-UHFFFAOYSA-N 404.894 4.716 0 40 HJAB CCCN(c1ccc2sc(C(=O)NCC)cc2c1)S(=O)(=O)c1ccc(C)cc1 28209212 OMWXZCZOVRAEBT-UHFFFAOYSA-N 416.568 4.565 0 40 HJAB CN1CCN(c2ccccc2NC(=O)/C=C/c2sc3ccccc3c2Cl)CC1 39981787 HSJUZLATCDBRGH-ZHACJKMWSA-N 411.958 4.958 0 40 HJAB CCOc1ccc(-c2noc(CCC(=O)N3CCCSc4ccccc43)n2)cc1 45197301 KUVFQSXTYLMHSP-UHFFFAOYSA-N 409.511 4.597 0 40 HJAB Cc1ccc(-n2nc(C)cc2NC(=O)CN[C@H](c2ccccc2)c2cccs2)cc1 57392031 WTRALMWWKPECQT-XMMPIXPASA-N 416.550 4.868 0 40 HJAB CCOc1ccc(-c2nc(NC(=O)CSc3nc(C)cc(C)n3)sc2C)cc1 60512645 KDOAJXBLONQNAH-UHFFFAOYSA-N 414.556 4.655 0 40 HJAB COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2cccc(OC)c2)cc1 67258769 SIBOMKWWCIFDNK-UHFFFAOYSA-N 418.518 4.754 0 40 HJAB C[C@@H](NC(=O)NCCc1coc(-c2ccc(F)cc2)n1)c1ccc2c(c1)CCCC2 72083969 VBOSLRVPTDXXOI-MRXNPFEDSA-N 407.489 4.962 0 40 HJAB CN(Cc1ccccc1)C(=O)c1cccc(-c2ccc(C[C@H]3CCCNC3=O)cc2)c1 72356267 RTLFKWVOSPUFOJ-XMMPIXPASA-N 412.533 4.695 0 40 HJAB O=C(Nc1nc2c(s1)CN(C(=O)Nc1cccc(Cl)c1)CC2)c1ccsc1 96024347 CCUQPZZDLZKQON-UHFFFAOYSA-N 418.931 4.701 0 40 HJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(O)c(Cl)c2)S1 96117978 HUNUMULTIMQUBO-BLLLJJGKSA-N 407.923 4.552 0 40 HJAB Cc1ccc(F)cc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 98072940 FFMUDWIUEAIGBW-UHFFFAOYSA-N 412.202 4.716 0 40 HJAB OC1=C2C(=Nc3nc(SCc4ccccc4)nn3[C@@H]2c2ccc(O)cc2)CCC1 102674359 DAWGHHNQPFWDRU-HXUWFJFHSA-N 404.495 4.948 0 40 HJAB O=C(NCCC1=CCCCC1)C1CCN(Cc2ccc(Br)cc2)CC1 219421827 GWDSAHPXFXGRBG-UHFFFAOYSA-N 405.380 4.668 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 222535520 SITLPIMXHPESMH-FQEVSTJZSA-N 421.368 4.868 0 40 HJAB CN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223080395 BURCVAXWADSIRR-UHFFFAOYSA-N 402.469 4.691 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 223236977 QLGXGLKKURFYFX-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB Cc1ccc(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 224044782 NRTPLVSHKPXHNL-KRWDZBQOSA-N 400.950 4.523 0 40 HJAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 224533001 HSFGCVQHLGSZLP-UHFFFAOYSA-N 414.914 4.630 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 224775930 VXAIAGYOFWPEJJ-INIZCTEOSA-N 421.368 4.788 0 40 HJAB COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225023507 JWQRKTNZLCHEBY-DHIUTWEWSA-N 418.566 4.796 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl 225195658 PAZSGWKSTCYNCU-KRWDZBQOSA-N 418.940 4.745 0 40 HJAB COc1nc(SC)ncc1/C=C1/SCCN1C(=O)c1ccc(C(C)(C)C)cc1 225239260 GNHIJNNPLJACRY-SFQUDFHCSA-N 415.584 4.692 0 40 HJAB COc1ccc([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)cc1 225468908 UIWQYWJTJAKTPU-WPGBELRESA-N 420.534 4.713 0 40 HJAB CCOc1ccc(C2(NC(=S)Nc3ccc(N4CCCC4=O)cc3)CCCC2)cc1 225865252 VTCBYJKLBLBKGW-UHFFFAOYSA-N 423.582 4.968 0 40 HJAB O=C(Nc1ccccc1F)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 409174407 SHFOCUSSRJGPER-XMMPIXPASA-N 420.509 4.895 0 40 HJAB CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@H](C)Oc1ccccc1 409326857 FLBKGUNXQUSNRO-HNNXBMFYSA-N 414.506 4.616 0 40 HJAB O=S(=O)(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccccc1C(F)(F)F 575621429 WYOMZQPTEJUAAX-UHFFFAOYSA-N 421.444 4.706 0 40 HJAB Cn1ccnc1[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1F 685519148 KYWIHFJDBHHFNU-ZHALLVOQSA-N 417.406 4.587 0 40 HJAB COc1cccc([C@@H](C)C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 1528558744 JSSZBIFABHVDAN-ZHRRBRCNSA-N 416.512 4.809 0 40 HJAB O=C(NCCc1c(F)cc(O)cc1F)c1[nH]ccc1-c1c(Cl)cccc1Cl 1645290591 YYJNIDAVCUGWEE-UHFFFAOYSA-N 411.235 4.945 0 40 HJAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCCC4)c(Cl)c3N2)cc1 674726 JAVAKKPXOILVBX-KGLIPLIRSA-N 412.843 4.741 0 40 HJAB O=C1S/C(=C/c2ccccc2Br)C(=O)N1CNc1ccccc1F 2120288 KJLNIPOKDRVXTL-OQLLNIDSSA-N 407.264 4.694 0 40 HJAB COc1ccc(-n2c(SCC(=O)c3ccc(C)cc3)nnc2-c2ccccn2)cc1 2356847 ZSYVMCNQBXMHTN-UHFFFAOYSA-N 416.506 4.621 0 40 HJAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1 2388812 XPCMLOKOPQEVDL-UUOWRZLLSA-N 412.264 4.536 0 40 HJAB O=C(COc1ccc(Cl)cc1)Nc1nnc(SCc2ccccc2F)s1 2725879 VBOLTWPTCZGMMJ-UHFFFAOYSA-N 409.895 4.640 0 40 HJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccccc1C(F)(F)F 3194961 ADCQOGZXVUAZOJ-SFHVURJKSA-N 404.388 4.813 0 40 HJAB COc1cccc2cc(-c3cc(=O)oc4cc(OCC=C(C)C)ccc34)c(=O)oc12 4340020 LWPSEZYGHMNDIX-UHFFFAOYSA-N 404.418 4.920 0 40 HJAB biogenic Cc1cccc(-c2nc3scc(CCNC(=O)c4ccc5ccccc5c4)n3n2)c1 4374751 FBHRBEAVWGJTHM-UHFFFAOYSA-N 412.518 4.892 0 40 HJAB Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3Cl)[C@@H]2C(=O)c2ccccc2)cc1 4659046 FMGFBRMSSVEZEI-LDJQHZOJSA-N 411.910 4.646 0 40 HJAB Cc1oc(C(C)(C)C)cc1C(=O)N1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 4682184 GQPYLKINBOKXPQ-UHFFFAOYSA-N 414.546 4.683 0 40 HJAB CCCOc1c(Cl)cc(C(=O)OCc2nnc(-c3ccccc3)o2)cc1OCC 4800892 UTVTUPLOECOSRL-UHFFFAOYSA-N 416.861 4.935 0 40 HJAB COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2Cc1cccc(F)c1 4936966 PQIUJJYXOPMPDD-UHFFFAOYSA-N 401.437 4.737 0 40 HJAB COc1ccc(OC)c([C@@H]2c3cccn3CCN2C(=O)Nc2cccc(Cl)c2)c1 5256314 NDZGMXBLVFUINC-OAQYLSRUSA-N 411.889 4.796 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2c3c(nc4ccccc24)CCCC3)c1 5753297 CIVKQWWCNYYFRC-MRXNPFEDSA-N 416.477 4.500 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc34)o2)c1 6028768 QALQXPZBDUTASA-CYBMUJFWSA-N 406.467 4.540 0 40 HJAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2cccc(C)c2)n1CC 6359325 GOKLQPQCVOIQHG-UHFFFAOYSA-N 424.570 4.787 0 40 HJAB CCOc1ccc(C2=NNC(c3ccc(OC)cc3)=Nc3ccc(OCC)cc32)cc1 6600829 PKJRHLRVJDZKOD-UHFFFAOYSA-N 415.493 4.927 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3CCCc4ccccc43)c2)cc1 8033374 DUNTZWDMUXNRPU-HSZRJFAPSA-N 420.534 4.603 0 40 HJAB O=C(Nc1ccnn1Cc1cccnc1)c1cccnc1Sc1ccc(Cl)cc1 8826271 XPEKWZBPYWOFRS-UHFFFAOYSA-N 421.913 4.778 0 40 HJAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2Cc2ccco2)cc1 9307716 OHLJTGRKBQKHFD-UHFFFAOYSA-N 422.485 4.765 0 40 HJAB CCn1c(CSc2nccc(C)n2)nc2cc(NC(=O)NC3CCCCC3)ccc21 9420945 FKACTUZCQIKAIE-UHFFFAOYSA-N 424.574 4.901 0 40 HJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 9879404 BTSWVGBTRKSMFJ-UHFFFAOYSA-N 424.309 4.995 0 40 HJAB C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)c(F)c1 10219610 FKSXXEJLTKITHG-OAHLLOKOSA-N 404.420 4.704 0 40 HJAB Cc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)n2)cc1C 10253376 LLCPDLOZLOYQTK-UHFFFAOYSA-N 414.552 4.861 0 40 HJAB C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)N/N=C/c1ccc(Cl)s1 11079374 FTLBOQGQAPADIW-WQEJZQBCSA-N 412.898 4.550 0 40 HJAB COc1cccc(CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)c1 12135971 IZVLISJYXPNVOB-UHFFFAOYSA-N 408.571 4.613 0 40 HJAB CCc1ccc([C@@H](NCC(=O)Nc2cc(OC)ccc2OC)c2cccs2)cc1 12616433 PMXWJIAKORPDGZ-HSZRJFAPSA-N 410.539 4.645 0 40 HJAB O=C(CCN1CC=C(c2ccc(O)cc2)CC1)NC(c1ccccc1)c1ccccc1 12756178 WJEYNDVLGWHWEY-UHFFFAOYSA-N 412.533 4.777 0 40 HJAB Cc1ccc(-c2csc3ncn(CCC(=O)Nc4cc(F)ccc4C)c(=O)c23)cc1 12861857 FGTODOINSFWOHQ-UHFFFAOYSA-N 421.497 4.910 0 40 HJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 13685575 AITXEYQVCWRCTN-INIZCTEOSA-N 408.885 4.676 0 40 HJAB COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCN(C)C2 15823472 RIEUVGVCNUQJMC-UHFFFAOYSA-N 420.943 4.643 0 40 HJAB O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2ccccc2F)C1)Nc1ccccc1F 16450369 VIMPJHCHXBIHNB-HOTGVXAUSA-N 416.472 4.714 0 40 HJAB O=C(O)c1cc(Cl)ccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 16477684 VVTCTDMOYXAQEL-UHFFFAOYSA-N 424.909 4.683 0 40 HJAB Cc1cccc2c(-c3ccncc3)c([C@@H]3CCCN(C(=O)CCn4cccn4)C3)[nH]c12 19236523 DJTVVFPLECOTHS-HXUWFJFHSA-N 413.525 4.531 0 40 HJAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2F)C1)C1CCCC1 19400688 PGZHCWHVWAKBRQ-WMZHIEFXSA-N 413.512 4.620 0 40 HJAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C2CCC2)C1 19449095 IEHSVBCWJLRWPI-AREMUKBSSA-N 422.544 4.579 0 40 HJAB CCCC(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19501310 OUXCYJQBFFOLCF-LJQANCHMSA-N 401.514 4.788 0 40 HJAB CCCc1ncc(-c2cc(C)no2)c([C@H]2CCCCN2C(=O)Cc2cccc(F)c2)n1 19525551 NVLBHJNRFTYJLZ-HXUWFJFHSA-N 422.504 4.828 0 40 HJAB CCCc1nnc2sc(-c3cccc(NC(=O)c4cccc(OC(C)C)c4)c3)nn12 20609649 TVRSWSVTGARUFB-UHFFFAOYSA-N 421.526 4.845 0 40 HJAB CCc1n[nH]c(SCc2ccc(NC(=O)c3ccc(OC)c(Cl)c3)cc2)n1 20611452 OUUXMJNIULFNLM-UHFFFAOYSA-N 402.907 4.574 0 40 HJAB C[C@@]1(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)CC1(Cl)Cl 22993463 AICZYKGRTISHHF-KRWDZBQOSA-N 413.736 4.847 0 40 HJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCCn1cnc2ccccc2c1=O 23113945 UIMWDXBYECTSNH-CQSZACIVSA-N 418.324 4.703 0 40 HJAB O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCO[C@@H](c2ccccc2)C1 23896952 HBIJNZCFZABXSR-RUZDIDTESA-N 423.516 4.812 0 40 HJAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccccc1SCc1cscn1 30563926 UPSMIWLIRCEWTA-UHFFFAOYSA-N 420.563 4.610 0 40 HJAB CC(C)Oc1ccc(NS(=O)(=O)c2ccccc2Br)cc1Cl 31721524 ZNYDJTYRTZMNRU-UHFFFAOYSA-N 404.713 4.691 0 40 HJAB Cc1ccc(Cn2ncc3c2N=C(O)C[C@@]32C(=O)N(C)c3ccc(C(C)C)cc32)cc1 32105483 UFLGVYJIUVGJKF-VWLOTQADSA-N 414.509 4.617 0 40 HJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 32622713 HEQFDSDDOQIWIK-OAHLLOKOSA-N 403.413 4.949 0 40 HJAB C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCCCC[C@H]1c1cccn1C 32841745 OISQYVMLYYYLOF-KXBFYZLASA-N 405.336 4.699 0 40 HJAB CCOc1ccc(-n2cc(-c3nc(-c4cccnc4)no3)c3ccccc3c2=O)cc1 38487254 VACUXLIBQNVIHQ-UHFFFAOYSA-N 410.433 4.501 0 40 HJAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2)Nc1c(F)cccc1F 38713725 UUMOBHAXUNJATO-UHFFFAOYSA-N 407.420 4.807 0 40 HJAB Cc1cccc(CSCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 39761065 YSQLYFUHPWQEFY-UHFFFAOYSA-N 417.018 4.910 0 40 HJAB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1 39761357 PZRLYXSFEVRFPO-FOCLMDBBSA-N 410.433 4.641 0 40 HJAB COc1ccc(CCC2CCN(C(=O)c3ccc(N4CCC(C)=N4)cc3)CC2)cc1 40132156 CVPYFZSQCYJBPN-UHFFFAOYSA-N 405.542 4.766 0 40 HJAB COc1cc(C)c([C@H](C)NC(=O)c2cccnc2SCC(F)(F)F)cc1OC 40134301 AEIVPGOBXUWYEI-LBPRGKRZSA-N 414.449 4.553 0 40 HJAB Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)c1 57425417 VQQNMGFJIRTSHR-UHFFFAOYSA-N 421.547 4.546 0 40 HJAB O=C1c2ccccc2C(=O)N1CN(C(=O)/C=C/c1ccccc1)c1ccc(Cl)cc1 59502309 WBAVWEJYRDPWSM-XNTDXEJSSA-N 416.864 4.640 0 40 HJAB CCN(CCCNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)c1ccccc1 60369767 VGLTUPFIKPOROR-UHFFFAOYSA-N 406.530 4.681 0 40 HJAB O=C1c2ccccc2N[C@H](c2cnn(-c3ccc(Cl)cc3)c2)N1Cc1cccnc1 60791545 RQUXQFKLHOOCOF-QFIPXVFZSA-N 415.884 4.687 0 40 HJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)c(C)c3)oc12 67295960 WPDOSJPNLDLCAQ-GFMRDNFCSA-N 409.442 4.830 0 40 HJAB Cc1ccc([C@@H](F)[S@](=O)(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 71256993 QYIORVVFWWAAOH-FNZWTVRRSA-N 403.500 4.879 0 40 HJAB Cc1cccc(Cl)c1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCCCC2 71327997 VPZOUWMVLHBTRS-UHFFFAOYSA-N 409.917 4.579 0 40 HJAB O=C(Nc1cccc2c1CCCC2)C(=O)N[C@@H](CC(F)(F)F)c1ccc(Cl)cc1 95455024 HWSZPXCMQKOFBG-SFHVURJKSA-N 424.850 4.967 0 40 HJAB OC1=Nc2ncn(-c3cccc(Br)c3)c2[C@H](c2cccc(O)c2)SC1 95478267 RAGFMQPHXQBDPT-KRWDZBQOSA-N 416.300 4.765 0 40 HJAB Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)c(C)c1 102721991 GRSVHQCKZAIOBQ-YFNKSVMNSA-N 412.489 4.663 0 40 HJAB Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3ccccc3)cc2)S(C)(=O)=O)c1 113965046 BCHDYIKMRGZRDX-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB Cc1ccc(N2CCC(C(=O)NCCSCc3ccc(Cl)cc3)CC2)cc1 219851526 WZFQDVBWSDVKPU-UHFFFAOYSA-N 402.991 4.914 0 40 HJAB CCCC[C@H](CC)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 223934104 AFJJLXUTZHUAGA-SFHVURJKSA-N 402.560 4.742 0 40 HJAB O=C(COc1ccccc1)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225255194 XYKDVHPTZVVWIG-FYJGNVAPSA-N 423.563 4.708 0 40 HJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 225556161 GMKVGDHEJGCUCR-QGZVFWFLSA-N 418.990 4.764 0 40 HJAB CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1OC)c1ccc(C)cc1C 225839476 BMKPOYQWALPVMI-MRXNPFEDSA-N 412.349 4.504 0 40 HJAB COc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2C)cc1C 225856053 FENQINBWUAJRKP-DEOSSOPVSA-N 409.551 4.997 0 40 HJAB Cc1cc(N)cc(Br)c1NC(=O)COc1c(C)cc(Cl)cc1Cl 227145371 BWQAXGWPOIMDCZ-UHFFFAOYSA-N 418.118 4.972 0 40 HJAB Cc1nc([C@@H]2CCN(CC3CCCCC3)C2)nc(C)c1CC(=O)Nc1ccccc1F 257287582 PQNSCWRCVAVGLW-HXUWFJFHSA-N 424.564 4.783 0 40 HJAB Cc1cc(Nc2nc(C)cs2)cc([C@H]2CCCN(C(=O)COc3ccccc3)C2)n1 257342356 ZOGOOPKBLRYKPU-SFHVURJKSA-N 422.554 4.684 0 40 HJAB Cc1cccc(C2=N/C(=C/c3ccc(OC(=O)c4c(F)cccc4F)cc3)C(=O)O2)c1 409015987 TWYFYOANLRSQFN-DEDYPNTBSA-N 419.383 4.837 0 40 HJAB O=C(NC[C@@H](c1ccsc1)n1cccn1)C1c2ccccc2Oc2ccccc21 575613469 HWYJRPCIGIGZBR-IBGZPJMESA-N 401.491 4.588 0 40 HJAB Cc1ccc2c(C)c(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)oc2c1C 634052 BPRYACWPGPWLNJ-UHFFFAOYSA-N 414.508 4.624 0 40 HJAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)c3ccc(F)cc3)c(=O)[nH]c12 790266 FJMPMAZHVWZXJH-UHFFFAOYSA-N 400.453 4.818 0 40 HJAB Cc1ccc2nc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)sc2c1 951482 QPABWRMUEMSTOM-UHFFFAOYSA-N 413.458 4.658 0 40 HJAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(N(CC)CC)cc1 951973 IEETWEUKVIULJD-UHFFFAOYSA-N 421.497 4.788 0 40 HJAB COc1ccc(CN2C(=O)[C@@H](C)N(C(=O)c3c(F)cccc3F)c3ccccc32)cc1 1385999 NSFFXGDUGIZIJN-OAHLLOKOSA-N 422.431 4.556 0 40 HJAB CCOc1ccc(C2=C(C)SC3=NNC(c4ccc(OC)c(OC)c4)=CN32)cc1 2270765 WLKIDPPKLAKQOV-UHFFFAOYSA-N 409.511 4.713 0 40 HJAB CC[C@@]1(C)Cc2c(sc3nc(SCc4ccc(OC)cc4)nc(N)c23)CO1 2297844 IAEYVGKKBJLEEI-FQEVSTJZSA-N 401.557 4.816 0 40 HJAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 2412173 FIXHHGNFLCRTOF-UHFFFAOYSA-N 424.309 4.707 0 40 HJAB CC(C)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2421073 KIWVVNZGWKXGME-GCJKJVERSA-N 421.468 4.780 0 40 HJAB O=C1[C@@H](Cc2ccccc2)N=C2c3ccccc3N=C(SCc3cccc(F)c3)N12 2964388 RNBPUNYQRUUBLR-OAQYLSRUSA-N 415.493 4.960 0 40 HJAB COC(=O)[C@H]1[C@@H](c2ccccc2)N(c2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)OC 4115747 XDOUZRIKRGQXKJ-MOUTVQLLSA-N 415.489 4.568 0 40 HJAB COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)N(C(=O)C(C)(C)C)c3ncnn32)cc1 4732805 CSZNTWZPGUTEAR-NHCUHLMSSA-N 404.514 4.709 0 40 HJAB CCc1cccc(C)c1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2cnccn12 4733480 MGRHHFLAFXOODL-UHFFFAOYSA-N 413.525 4.847 0 40 HJAB CCCCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@H]1c1ccc(C)cc1 4816767 ISPUYZJONSSFCV-VXKWHMMOSA-N 404.514 4.853 0 40 HJAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)c1 5053688 CZNJUCWEUUULRC-VSKRKVRLSA-N 418.880 4.700 0 40 HJAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)NCCC3=CCCCC3)o2)cc1 5170064 JLJNXZAFGPRTJA-OAHLLOKOSA-N 401.532 4.623 0 40 HJAB O=C(N[C@@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1cccs1 5331609 WGTYBXQEJQFHGU-GOSISDBHSA-N 404.413 4.818 0 40 HJAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N(C)Cc1ccccc1 5332918 FVXKSLVWBHOCDZ-HNNXBMFYSA-N 410.518 4.558 0 40 HJAB Cc1cc(C)c2[nH]c3nc(SCC(=O)Nc4cccc(Cl)c4C)nnc3c2c1 5577835 IKQDWPDKZVBBOA-UHFFFAOYSA-N 411.918 4.816 0 40 HJAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2)o1 5897354 MPDGAJNQJQSGJQ-UHFFFAOYSA-N 414.870 4.733 0 40 HJAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1 6097067 RRYDHVFKZWYHPA-OAQYLSRUSA-N 422.554 4.794 0 40 HJAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c1 6386466 JZAWBXRNQHUILZ-JLHYYAGUSA-N 415.946 4.995 0 40 HJAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C1=O 6629531 FSPDQKCHJFQTES-XDHOZWIPSA-N 412.511 4.635 0 40 HJAB CCOc1ccc(CCNC(=O)Cc2csc(-c3ccccc3)n2)cc1OCC 6832538 APBJVMMXQHOQTH-UHFFFAOYSA-N 410.539 4.509 0 40 HJAB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2 7989936 JBAQREOYBHLJFL-SFHVURJKSA-N 404.491 4.563 0 40 HJAB CCC(=O)N(c1nnc(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)s1)C1CC1 8074194 AJHKWUAESOLIIX-LBPRGKRZSA-N 414.556 4.597 0 40 HJAB O=C1NC2(CCCC2)C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 8314322 WNWNMRMPJUHOSO-UHFFFAOYSA-N 420.900 4.557 0 40 HJAB C[C@@H](NC(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 9125739 SBKJAUAVTRUENV-LLVKDONJSA-N 419.321 4.758 0 40 HJAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)c3ccc(C)cc3C)cc2c1 9158797 ZLXWEZVXOXJJOG-UHFFFAOYSA-N 402.450 4.594 0 40 HJAB Cc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccccc4C)CC3)n2)cc1 9544356 NEOASUDRMUKHKE-UHFFFAOYSA-N 419.550 4.918 0 40 HJAB COc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)c1 9632440 BYIMICASKBLHBO-UHFFFAOYSA-N 422.535 4.735 0 40 HJAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(Cl)c3)o2)cc1OC 9670988 PSYIOMKPGBIKRM-LLVKDONJSA-N 419.890 4.527 0 40 HJAB COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 11284480 NEHSJWSDSUHDIZ-MSOLQXFVSA-N 418.493 4.592 0 40 HJAB COc1cc(OC)c(NC(=O)CSc2ccccc2Br)cc1Cl 11578021 BTFBHWANGOVSCV-UHFFFAOYSA-N 416.724 4.851 0 40 HJAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cc(C2CC2)nc2ccccc12 14093326 KKVZDMVTCIKVJR-UHFFFAOYSA-N 413.521 4.668 0 40 HJAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3n2CCc2ccccc2)C1 14361248 AFGUNWJQHNEXCI-KDURUIRLSA-N 407.583 4.876 0 40 HJAB Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 14396462 WABBJYJPKYRORX-UHFFFAOYSA-N 402.494 4.723 0 40 HJAB COc1cccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c1OC 15008470 VNYKFUPQTKJKAO-CXUHLZMHSA-N 407.850 4.733 0 40 HJAB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc1 16638075 RAECJSSINOWHMN-UHFFFAOYSA-N 408.505 4.568 0 40 HJAB COc1c(Cl)cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1Cl 17089474 BAIQDBIUMUPAAD-QMMMGPOBSA-N 413.326 4.540 0 40 HJAB Cc1cc(C)cc(C2(CNC(=O)c3ccc(Cc4c(C)noc4C)o3)CCOCC2)c1 19569593 VGOLYOVFZWCYKD-UHFFFAOYSA-N 422.525 4.570 0 40 HJAB Cc1nc([C@@H]2CCCCN2C(=O)C(C)(C)C)ncc1C(=O)Nc1ccc(Cl)cc1 19764856 GXDXBDVSCQYINR-SFHVURJKSA-N 414.937 4.790 0 40 HJAB CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)CC1 20107580 MQPHZFVFSOOELU-UHFFFAOYSA-N 419.569 4.797 0 40 HJAB Nc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)ccc1N1CCOCC1 20154175 QDEKTZJFPANRKQ-JXMROGBWSA-N 423.900 4.671 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 20744898 RVAZZEHVMILKQE-MRXNPFEDSA-N 400.360 4.740 0 40 HJAB CC(C)Oc1ccc(C(=O)Nc2ccccc2-c2nc(-c3cccnc3)no2)cc1 22459856 YDYPBJFIDRBCSO-UHFFFAOYSA-N 400.438 4.838 0 40 HJAB Cc1csc(N(C(=O)C2CCN(C(=O)c3cccs3)CC2)c2ccccc2)n1 25724483 BKJCGWZAXWIEBU-UHFFFAOYSA-N 411.552 4.730 0 40 HJAB O=C(CCSCc1csc(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)OCO2 27192593 HAHYCFJVLPLLHI-UHFFFAOYSA-N 416.499 4.940 0 40 HJAB O=C(c1ccc(CSc2ccccc2)o1)N1CCC[C@H]1c1nnc2ccccn12 28499792 KBPLRFGZRYDAJZ-SFHVURJKSA-N 404.495 4.592 0 40 HJAB COc1ccc(-c2csc(NC(=O)c3ccc4cc(OC)ccc4n3)n2)c(OC)c1 28641021 LYWLBIZKERUYJD-UHFFFAOYSA-N 421.478 4.636 0 40 HJAB COc1ccccc1[C@H](CNC(=O)c1sc2nc(C)cc(C)c2c1C)N1CCCC1 29045417 WASGUNZSGMGKPY-IBGZPJMESA-N 423.582 4.797 0 40 HJAB COc1ccc2nc(NC(=O)c3cnn(-c4ccccc4C)c3C3CC3)sc2c1 29777092 HXABXJGAPVJGID-UHFFFAOYSA-N 404.495 4.929 0 40 HJAB Cc1csc(SCc2ccc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)cc2)n1 30030461 JWFPLTBPJUHTQQ-NRFANRHFSA-N 423.607 4.873 0 40 HJAB O=C(Nc1nc2c(s1)CCCCC2)c1ccccc1OCc1cn2ccccc2n1 32885739 PNAOXHIJKZJHQC-UHFFFAOYSA-N 418.522 4.891 0 40 HJAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1 32931495 PQIAJQKVORNUHO-NRFANRHFSA-N 422.456 4.883 0 40 HJAB CCOc1ccc(CNC(=O)c2sc3ncccc3c2-n2cccc2)cc1OCC 33297994 RATGARJVBADKDI-UHFFFAOYSA-N 421.522 4.814 0 40 HJAB COc1ccc(-n2nnnc2C2(Nc3cccc(C(F)(F)F)c3)CCCCC2)cc1 35622774 VVSADULLUZWXPI-UHFFFAOYSA-N 417.435 4.961 0 40 HJAB CCc1nn2c(nnc3c(=O)n([C@@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40391691 XFOIZPPUZGPPTA-ZRGWGRIASA-N 419.504 4.805 0 40 HJAB CC(C)Oc1cccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 44882533 NCKINWCCLHQNOH-HXUWFJFHSA-N 400.950 4.656 0 40 HJAB CC[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(OC)cc1 44936367 NIIUHZXZVSTRNF-QFIPXVFZSA-N 418.940 4.967 0 40 HJAB COc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c1 46079000 VTTNSGOULGGCRO-UHFFFAOYSA-N 404.441 4.680 0 40 HJAB CC(=O)NCCc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)cc1 48326414 KRJKFUOGTFASQW-UHFFFAOYSA-N 417.918 4.604 0 40 HJAB O=C(O)/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Sc1nc2ccccc2[nH]1 51125212 WNWBWLODCAFGNC-WQRHYEAKSA-N 407.407 4.949 0 40 HJAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H]1COc2ccccc21 58728779 QERSXDDTJOOACA-MRXNPFEDSA-N 400.887 4.547 0 40 HJAB CC(=O)Nc1sc(NC(=O)COc2ccc(Cl)cc2)nc1-c1cccs1 71195067 KGZNMRSNHFPIIR-UHFFFAOYSA-N 407.904 4.501 0 40 HJAB Fc1ccc(CNc2ccc3nnc(-c4ccccc4F)n3n2)c(C(F)(F)F)c1 72027428 DLOWDHCLGCMANF-UHFFFAOYSA-N 405.330 4.700 0 40 HJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(OC(C)C)cc2)cc1 72329022 YBZLRBQCSWSQCJ-UHFFFAOYSA-N 407.514 4.973 0 40 HJAB COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1OC 83960118 XXBZVSFHPVZTQJ-BDTNDASRSA-N 411.517 4.960 0 40 HJAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 101061834 HHCOPXVNGAMPHL-CFYSCFQDSA-N 400.906 4.861 0 40 HJAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)c1C 103718278 WTNFHLXZJSBSOY-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB CC(C)CSc1nnc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)s1 222859875 TZWHEDCCVRPWOK-UHFFFAOYSA-N 412.389 4.535 0 40 HJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 223032352 YHQHCRCOBIHZHB-NRFANRHFSA-N 424.585 4.831 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 223729131 JYRUHUQEKAEBHJ-QGZVFWFLSA-N 418.990 4.684 0 40 HJAB CCCOCc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1OC 224417741 IQHNKVUFRNYLHN-UHFFFAOYSA-N 416.949 4.546 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 225014164 YWMTWNJZNYFSPX-WOJBJXKFSA-N 412.599 4.560 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccc(F)cc2)cc1 225081704 SDORGNFEQKRRMC-JWGURIENSA-N 422.525 4.716 0 40 HJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(I)cc1 225121134 CEOHRBJTQLFSTI-CYBMUJFWSA-N 421.278 4.576 0 40 HJAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCOc1ccc(C)cc1 225443618 WTEWGGLTTOSPHK-DEOSSOPVSA-N 424.585 4.530 0 40 HJAB COc1cc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)cc(OC)c1OC 225574173 HAGOEOJKOSDDLX-UHFFFAOYSA-N 416.543 4.520 0 40 HJAB Cc1cccc([C@H](NC(=S)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc2)c1 225701390 RVVPWLHRICPGDE-JOCHJYFZSA-N 403.551 4.773 0 40 HJAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)cc2N1 248151445 BNYNCHGSLWBOGM-XYVMCAHJSA-N 424.511 4.889 0 40 HJAB CCCc1ccc(OCc2ccccc2)c(CN(C)[C@@H]2CC[C@@H](n3ccnc3)[C@@H]2O)c1 257228059 FSCYEYSNFBWVSK-DGWZTRNLSA-N 419.569 4.611 0 40 HJAB CO[C@H]1CC[C@H](C(=O)N2CCC(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)CC1 257274790 NMRDLPVVFPIVPX-MEMLXQNLSA-N 422.573 4.573 0 40 HJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 408693904 AXSXTDMDTMANRX-SFHVURJKSA-N 424.522 4.510 0 40 HJAB COC(=O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)c(CC(=O)O)s2)cc1 408886622 KVECRRLQXMGHEP-UHFFFAOYSA-N 402.859 4.621 0 40 HJAB COc1c(Cl)cc(Cl)cc1C[C@@H]1SC(=O)N(Cc2ccc(F)cc2)C1=O 409144007 OZRHAHUMEYKYDP-HNNXBMFYSA-N 414.285 4.948 0 40 HJAB COCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 409220724 DXGSKTZQALASDS-WJDWOHSUSA-N 422.300 4.782 0 40 HJAB Clc1ccc(CN2CCOCCOc3ccccc3Oc3ncccc3C2)cc1 643563619 GMYPYBPWBKSEHW-UHFFFAOYSA-N 410.901 4.939 0 40 HJAB CCSc1nnc2c(n1)O[C@@H](c1sccc1C)N(C(=O)CC)c1ccccc1-2 684714 DAJPHLNARLAKNU-IBGZPJMESA-N 412.540 4.855 0 40 HJAB Cc1c(SC(F)(F)[C@](F)(Cl)OC(F)(F)F)c(=O)n(-c2ccccc2)n1C 1807021 VPSMBDFPVVSFJQ-GFCCVEGCSA-N 420.762 4.568 0 40 HJAB CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O)c1ccccc1 2423657 QBMLRYMSEPUNGW-PKOBYXMFSA-N 403.457 4.661 0 40 HJAB O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)c1ccc(Cl)c(Cl)c1 2515254 DRNBGLGDWKMOOX-UHFFFAOYSA-N 406.309 4.563 0 40 HJAB CC[C@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(OC)cc1 2706315 IRJGGSGPTQZDRP-HNNXBMFYSA-N 415.588 4.866 0 40 HJAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1 3279974 UTUPULQDUSXOCX-UHFFFAOYSA-N 405.859 4.625 0 40 HJAB O=C(NCCCN1CCCC1=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 3304469 XREABGWAICXUDQ-UHFFFAOYSA-N 405.734 4.604 0 40 HJAB O=C(NC1CCCC1)[C@H](c1ccccc1F)N(Cc1ccccc1)C(=O)c1ccco1 4240666 KMARPOQBPVYMEJ-QHCPKHFHSA-N 420.484 4.861 0 40 HJAB CCOc1ccc(-c2noc(CCCC(=O)Nc3ccc(C)cc3C)n2)cc1OC 4488194 MPTSZTBRZXTTRJ-UHFFFAOYSA-N 409.486 4.722 0 40 HJAB CCc1cccc(C)c1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2ncccn12 4734171 UYMQIQJWNWBEQX-UHFFFAOYSA-N 413.525 4.847 0 40 HJAB COc1ccc(CC(=O)n2nc(-c3ccccc3)nc2NCc2cccs2)cc1 4777272 NQPXQSAHIDPOHQ-UHFFFAOYSA-N 404.495 4.510 0 40 HJAB Brc1ccc(-c2onc3ccc(I)cc23)cc1 5032113 CTIUJPYZLRPHRG-UHFFFAOYSA-N 400.013 4.862 0 40 HJAB CCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCOCC4)cc3)s2)cc1 5261849 DKZMAFOHKOLLFA-UHFFFAOYSA-N 407.539 4.770 0 40 HJAB O=C(CCCc1c[nH]c2ccccc12)O[C@H](C(=O)N1CCCCC1)c1ccccc1 5459629 WILNHCTZISWCDV-DEOSSOPVSA-N 404.510 4.788 0 40 HJAB Cc1ccc(C)c(-c2csc(NC(=O)CSc3nnc(-c4ccco4)o3)n2)c1 5813920 MQVCVLCGFBSYAV-UHFFFAOYSA-N 412.496 4.801 0 40 HJAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 6414822 DSKWRBCBNYTZJV-XLIONFOSSA-N 406.555 4.721 0 40 HJAB COc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1OC 6610443 FOLUSUBTELUIMG-UHFFFAOYSA-N 419.506 4.548 0 40 HJAB Cc1nnc(S[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)n1C1CC1 6934723 XMVOXYCRRJEGAR-VIFPVBQESA-N 415.569 4.801 0 40 HJAB CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 7062535 LKENFOIURGZWGI-INIZCTEOSA-N 410.688 4.913 0 40 HJAB CC(=O)Nc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)cc1 7063016 XAZKFZLOQHQJTL-UHFFFAOYSA-N 416.477 4.502 0 40 HJAB O=C(CSc1ncnc2sccc12)c1ccc(NC(=O)c2ccccc2)cc1 7392528 FPJBNADZJGNRDA-UHFFFAOYSA-N 405.504 4.919 0 40 HJAB CCCCN1C(=O)CC[C@H](C(=O)N2CCCc3ccccc32)[C@@H]1c1ccc(OC)cc1 7989970 KGTPVQPOKCJKOP-DHLKQENFSA-N 420.553 4.754 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3CCCc4ccccc43)c2)cc1 8033375 DUNTZWDMUXNRPU-QHCPKHFHSA-N 420.534 4.603 0 40 HJAB COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1 8657481 WIRRMAMZHREZRB-JOCHJYFZSA-N 412.445 4.563 0 40 HJAB O=C(NCc1ccc(F)cc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9071535 OZAASIKNYSSNMS-UHFFFAOYSA-N 415.468 4.580 0 40 HJAB Cc1c(C)n(Cc2cccnc2)c2ncn3nc(-c4cc5ccccc5cc4O)nc3c12 9410462 DDQHXSXOOWQTID-UHFFFAOYSA-N 420.476 4.665 0 40 HJAB COc1ccc(-n2c(SCC(=O)N(C)Cc3cccs3)nc3ccccc32)cc1 9442080 AHQAYPFCAMNCJB-UHFFFAOYSA-N 423.563 4.846 0 40 HJAB CCCCn1nc(NS(=O)(=O)c2ccc(OC)cc2)c2cc3ccc(C)cc3nc21 9487772 VPOUBSFLZQEWEH-UHFFFAOYSA-N 424.526 4.502 0 40 HJAB NC(=O)c1oc2ccccc2c1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 9748064 YKWFUDZQPYEFDT-UHFFFAOYSA-N 416.277 4.822 0 40 HJAB C[C@H]1c2cccc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)c2O[C@@H]1C 9996122 HLOMZCZFTJFIOE-HZPDHXFCSA-N 402.498 4.808 0 40 HJAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N[C@@H](C)CCc1ccccc1 10333877 ODAYRQWJMHLNKP-SFHVURJKSA-N 422.550 4.547 0 40 HJAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1F 11339742 QUUKBKMSZCHDHJ-UHFFFAOYSA-N 403.432 4.807 0 40 HJAB O=C(c1cc2ccccc2cc1O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 12393158 HSKZHKKIELTUKL-UHFFFAOYSA-N 414.427 4.522 0 40 HJAB COc1ccc(S(=O)(=O)c2c(C)c(C)n(C3CCCC3)c2NC(=O)C(C)C)cc1 12408437 HVBXOMHGOUBFKC-UHFFFAOYSA-N 418.559 4.656 0 40 HJAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O 12447739 JRIZSAMQKBLQGM-FQEVSTJZSA-N 411.505 4.922 0 40 HJAB C[C@@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)N(C)Cc1cccc(F)c1 12550577 HNKLFCJIJNEKOZ-CQSZACIVSA-N 403.910 4.804 0 40 HJAB CCOc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)Nc2nccs2)cc1 12706029 YIIJVGJTRLFDNH-FLFQWRMESA-N 421.478 4.781 0 40 HJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc(Br)ccc1F 12817148 MWIYOKNSLGRTGZ-UHFFFAOYSA-N 416.294 4.663 0 40 HJAB O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1ccc(Cl)c(C(F)(F)F)c1 12857425 FWOSOXVPOGQEFX-UHFFFAOYSA-N 409.779 4.758 0 40 HJAB CC(=O)Nc1ccc2nc(NC(=O)Cc3csc(-c4ccccc4)n3)sc2c1 12934059 OHEOBMYGPCHTGT-UHFFFAOYSA-N 408.508 4.559 0 40 HJAB CN1CCCN(c2nc(/C=C/c3ccccc3)nc3sc4c(c23)CCCC4)CC1 13038318 ABDZMZHWNZVIEJ-OUKQBFOZSA-N 404.583 4.882 0 40 HJAB O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccccn2)N1CCc1c[nH]c2ccccc12 13548825 ZOHJLVMKIBIMIN-VWLOTQADSA-N 419.488 4.741 0 40 HJAB CC1(C)C[C@@]2(CCO1)Oc1ccc(Br)cc1[C@H]1CC(c3ccco3)=NN12 13584680 PRQJSYYZSIZUMQ-OXQOHEQNSA-N 417.303 4.871 0 40 HJAB CC(C)Cc1cc(-c2nn3c(CSc4ccc(Cl)cc4)nnc3s2)n[nH]1 13736544 SDVJGFDZPMKPSH-UHFFFAOYSA-N 404.952 4.720 0 40 HJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(I)cc1 14217354 BJWZRDZBJJXWLR-UHFFFAOYSA-N 418.234 4.518 0 40 HJAB COc1ccc([C@@H]2CCCN2CC(=O)N(Cc2ccccc2)Cc2ccco2)cc1 15300713 JGJJYVOUVJCERA-DEOSSOPVSA-N 404.510 4.654 0 40 HJAB COc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cccc4C)nccn3n2)cc1 17135773 URKRUOUCSXYWSL-UHFFFAOYSA-N 418.522 4.753 0 40 HJAB Cc1ncsc1C(=O)N1CCC[C@H]1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1 19562145 WJQOBDNUEXGRQM-AWEZNQCLSA-N 423.464 4.614 0 40 HJAB Cc1ccnn1Cc1cc(C(=O)NCC(C)(C)c2ccccc2F)c2ccccc2n1 19716556 AAWUCSUWFNSSCH-UHFFFAOYSA-N 416.500 4.635 0 40 HJAB COc1ccc(NC(=O)c2cnc(Nc3nc(-c4ccccc4)cs3)nc2C)cc1 19819565 IEAMCQBNXQZBDN-UHFFFAOYSA-N 417.494 4.913 0 40 HJAB COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1OC 23386370 ILLJNBOBQPDOPO-NRFANRHFSA-N 407.510 4.519 0 40 HJAB CN(Cc1ccccc1NC(=O)CCCNC(=O)c1ccsc1)C1CCCCC1 25154777 MGONVDNDAZDZRX-UHFFFAOYSA-N 413.587 4.661 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)Cc2nc(-c3cccs3)oc2C)cc1OC 25879133 SKMMQNONVOBRQT-QGZVFWFLSA-N 412.511 4.635 0 40 HJAB O=C(NCc1ccc(F)cc1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27972116 ABTVEFPBGGIPBK-UHFFFAOYSA-N 401.441 4.656 0 40 HJAB COc1ccc(Cc2nc(-c3cccc(NC(=O)c4cccc(F)c4F)c3)no2)cc1 28222167 WDMOTCHTVCDPMC-UHFFFAOYSA-N 421.403 4.867 0 40 HJAB Cc1cc(F)ccc1NC(=O)CSc1nnc(-c2cccc(F)c2)n1CC(C)C 32579574 HAAJEHXGSWYFME-UHFFFAOYSA-N 416.497 4.919 0 40 HJAB COc1cc(Br)c(OC)c(C(=O)N2CCC(Cc3ccccc3)CC2)c1 32895735 MOLVRXFZEZYSSO-UHFFFAOYSA-N 418.331 4.561 0 40 HJAB Cc1cccc2c(C(=O)N(C)CCOc3ccc(F)cc3)cc(-c3cccnc3)nc12 35316653 SXOWXXXJEYNZFG-UHFFFAOYSA-N 415.468 4.895 0 40 HJAB COc1cccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)c3c(C)nn(C)c3n2)c1 36616433 WTQXJVPFQDLJTF-UHFFFAOYSA-N 406.873 4.858 0 40 HJAB CCCCOc1ccc(-c2cc(C(=O)Nc3nnc(CC(C)C)s3)no2)cc1 46086641 LTPCMLPZQNFYRX-UHFFFAOYSA-N 400.504 4.823 0 40 HJAB O=C(CCc1ccsc1)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 47234577 HXINXNGHMKSOBE-UHFFFAOYSA-N 410.882 4.773 0 40 HJAB CCC(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 57313219 IYKDJFQEDBDQNR-WYMLVPIESA-N 419.506 4.822 0 40 HJAB Cc1oc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1Br 57986193 BGTSIZPRIMEROC-UHFFFAOYSA-N 419.300 4.970 0 40 HJAB c1ccc(Cn2c(SCc3cnc4ccccn34)nnc2-c2cccs2)cc1 79105079 BYOYGATWPVLIHI-UHFFFAOYSA-N 403.536 4.995 0 40 HJAB COc1ccccc1Nc1nc2sc(C(=O)O[C@@H]3CCCCC3=O)cc2s1 83982643 KEYZZMYNERVPLA-CQSZACIVSA-N 402.497 4.779 0 40 HJAB O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(F)c(Cl)c1 89845675 OVTNEFVNDDFYSB-UHFFFAOYSA-N 404.850 4.532 0 40 HJAB Cc1cc(C)n(C[C@H](C)CN[C@H](c2ccc(Br)cc2)c2ccco2)n1 95996290 CRWNGSXHDOHYIP-JLTOFOAXSA-N 402.336 4.871 0 40 HJAB CCc1ncc(CNC[C@H]2CC[C@H](c3c(C(=O)NC)sc4ccccc43)CC2)cn1 100657935 IGQWZGFASVVWQR-MAEOIBBWSA-N 422.598 4.677 0 40 HJAB O=C1S/C(=C\c2coc3ccccc3c2=O)C(=O)N1Cc1c(F)cccc1Cl 106741780 PVMHUKZWXSEHLN-IUXPMGMMSA-N 415.829 4.822 0 40 HJAB C[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 108859002 HZWNNSKPSQWJKP-DWRORGKVSA-N 418.493 4.593 0 40 HJAB Cc1ccc(N2CCC(C(=O)NCCSCc3ccccc3Cl)CC2)cc1 219851374 SWFTVZWTAJHGCO-UHFFFAOYSA-N 402.991 4.914 0 40 HJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1C[C@@H]1CCCO1 223326986 CKRFROWZZMQYFA-NNWRFLSQSA-N 410.587 4.540 0 40 HJAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)c1 224518899 YRRKNYAAVBSSFK-MSOLQXFVSA-N 401.944 4.982 0 40 HJAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 224734951 LGANMUNAWHVRKW-NRFANRHFSA-N 408.586 4.995 0 40 HJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 225555281 HTCSLYYTELRKDO-GCJKJVERSA-N 414.977 4.913 0 40 HJAB COc1cccc(-c2cc(-c3cc(C)ccc3OCC(=O)O)nn2CC(C)C)c1OC 257213924 CJSMXYMMINEVHJ-UHFFFAOYSA-N 424.497 4.662 0 40 HJAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 257297864 RJCIJGJOXFIHHR-LJQANCHMSA-N 400.526 4.679 0 40 HJAB Cc1c(Br)ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1C 408595300 MARJQFVNWOOMQR-UHFFFAOYSA-N 411.752 4.775 0 40 HJAB COc1ccccc1C(=O)/N=c1\sc(C)c(-c2ccc(Br)cc2)n1C 409195213 NNKCALFGBUTZGH-VZCXRCSSSA-N 417.328 4.574 0 40 HJAB CCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(C)c1-c1ccccc1 409205320 BIIFZRJYWCXMNA-VZCXRCSSSA-N 401.329 4.820 0 40 HJAB O=S(=O)(c1ccc(Br)s1)N(Cc1ccccc1)Cc1ccccc1 664387 ZTNHRMFCZQKTJS-UHFFFAOYSA-N 422.369 4.902 0 40 HJAB COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 882090 KWNGSQXGSLABEC-UHFFFAOYSA-N 403.463 4.630 0 40 HJAB CCc1ccc(OCc2nnc(SCc3cc(=O)[nH]c4ccccc34)n2CC)cc1 916133 ZCSZPCZFVBNOHS-UHFFFAOYSA-N 420.538 4.573 0 40 HJAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 1223826 KJELOCYWVDCSRD-UHFFFAOYSA-N 409.555 4.639 0 40 HJAB COc1ccccc1NC(=S)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 1224332 XPFYXQKGXYCLSL-UHFFFAOYSA-N 421.566 4.987 0 40 HJAB COc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363871 SFGGQRUROYMGEY-OAHLLOKOSA-N 412.877 4.810 0 40 HJAB CC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(C)=O)cc3)cc2)cc1 1703252 CRBCWIVWYQMFTK-UHFFFAOYSA-N 400.434 4.596 0 40 HJAB Cc1nn2c(CN(C(=O)Nc3ccccc3)c3ccccc3)nnc2c2ccccc12 2354388 AVWZNPZHQLHLPR-UHFFFAOYSA-N 408.465 4.825 0 40 HJAB Cc1cccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)CSC3)c1C 3008358 WKTDZWULILFINT-UHFFFAOYSA-N 413.930 4.907 0 40 HJAB COC(=O)c1ccccc1SCC(=O)Nc1nc(-c2ccccc2Cl)cs1 3049222 RWLGWYPGQFMBBG-UHFFFAOYSA-N 418.927 4.981 0 40 HJAB CCOC(=O)c1sc2nc(NC(=O)c3nc4ccccc4s3)sc2c1C 4088276 YKAGNOBCECHIDC-UHFFFAOYSA-N 403.510 4.705 0 40 HJAB Cc1ccc(S(=O)(=O)Oc2c(C)ccc3c2N(C)[C@H]2c4ccccc4C[C@H]32)cc1 4114302 ZSYRDYJPMNKALU-YADHBBJMSA-N 405.519 4.902 0 40 HJAB Cc1cccc(-n2nc3c(c2NC(=O)c2cccc4ccccc24)C[S@@](=O)C3)c1C 4224971 VZNBUMSFTHHNAK-PMERELPUSA-N 415.518 4.657 0 40 HJAB CC(=O)S[C@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12 4475349 LXMSZDCAJNLERA-XTTYZJPESA-N 416.583 4.852 0 40 HJAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(OC(C)C)cc4)c3)nn12 4556503 NTCAANLCIPHZCO-UHFFFAOYSA-N 421.526 4.763 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1-c1ccccc1 4840891 YQJXPODHAMAEJY-KXBFYZLASA-N 410.543 4.623 0 40 HJAB COc1ccc(C(=O)c2cn(Cc3ccc(C)cc3)c3ccc(OC)cc3c2=O)cc1 4937015 OTUBVGAXTRPXKC-UHFFFAOYSA-N 413.473 4.606 0 40 HJAB COc1ccc(-c2cc3nc(C)c(C)c(NCCc4cccs4)n3n2)cc1OC 4966847 XGPDVHANEKHNJX-UHFFFAOYSA-N 408.527 4.746 0 40 HJAB CSc1nnc([C@H]2CCCN2C(=O)C2(c3ccc(Cl)cc3)CCCCC2)n1C 5001644 PIHSMRKNTOMJSJ-QGZVFWFLSA-N 418.994 4.756 0 40 HJAB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NC3CCCC3)c2C1 6022892 LITHKIZDTWOXSS-MRXNPFEDSA-N 408.542 4.601 0 40 HJAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1 6025962 NNGAKQIKBSFTJE-UHFFFAOYSA-N 417.962 4.854 0 40 HJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 6056663 BXTSPOYGLBNOSN-UHFFFAOYSA-N 407.326 4.922 0 40 HJAB COc1cc2c(cc1OC)[C@@]1(c3ccccc3)ON=C(c3ccccc3)N1CS2 6403800 JGYLAKQYTFXUTN-HSZRJFAPSA-N 404.491 4.662 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 6626622 WBCAHITUNVTXFV-UHFFFAOYSA-N 405.679 4.817 0 40 HJAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc1Cl 6627698 JSSWNZOTJIMQCS-UHFFFAOYSA-N 400.887 4.528 0 40 HJAB CCOC(=O)c1c(NC(=S)NC2CCCCC2)sc2c1C[C@@](C)(CC)OC2 6707064 YKWRLARJBIHBJG-HXUWFJFHSA-N 410.605 4.785 0 40 HJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)c(OC)c3)ccc21 7056071 XBQNCQKBBJKTGG-UHFFFAOYSA-N 410.495 4.632 0 40 HJAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 7078395 BVKZXXWWEOOKRB-HNEYUBDGSA-N 400.862 4.623 0 40 HJAB COc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)cc1 7275619 OYLUFEXGAFXTEC-UHFFFAOYSA-N 416.506 4.718 0 40 HJAB Cc1ccc2nc(N(CCCn3ccnc3)C(=O)Cc3ccc(F)cc3)sc2c1 7424679 DOUANHUSHBVQIG-UHFFFAOYSA-N 408.502 4.606 0 40 HJAB CCOc1ccc2oc(C(=O)N3CCN(c4ccccc4OCC)CC3)c(C)c2c1 7847291 IAPKJRNTRMYVQH-UHFFFAOYSA-N 408.498 4.501 0 40 HJAB O=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8071375 ARNPPSVSGRMZJS-QGZVFWFLSA-N 418.522 4.685 0 40 HJAB Cc1ccc(CSc2nc(CC(=O)N3CCN(c4ccccc4)CC3)cs2)cc1 8936067 ZUDMAKZDXZHYAK-UHFFFAOYSA-N 423.607 4.635 0 40 HJAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc21 8958864 DHDGHGBZPVCZDG-UHFFFAOYSA-N 400.906 4.683 0 40 HJAB Cc1nc2[nH]c(SCC(=O)Nc3ccccc3C(C)C)nc2cc1Br 9307121 GUGYIJFOLIFRMO-UHFFFAOYSA-N 419.348 4.883 0 40 HJAB O=C1c2ccccc2N[C@H](c2ccc(-n3cnc4ccccc43)cc2)N1C[C@@H]1CCCO1 9339199 HQSLLIUVIJVRKM-CPJSRVTESA-N 424.504 4.771 0 40 HJAB NC(=O)[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1ccc(F)cc1 10206050 FKRLSYJNIHODPM-ZDUSSCGKSA-N 411.936 4.774 0 40 HJAB Cc1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442009 NUNIALNTVYDWFA-UHFFFAOYSA-N 414.412 4.974 0 40 HJAB CC(C)CCC[C@@H](C)NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12525773 RONIOUJTCPXMKP-QGZVFWFLSA-N 420.550 4.500 0 40 HJAB CCCCN1C[C@H](c2nc3ccccc3n2CCOc2cc(C)ccc2C)CC1=O 12627853 YIHYHRRMCDEGJJ-HXUWFJFHSA-N 405.542 4.848 0 40 HJAB CCc1nnc(NC(=O)c2ccccc2NC(=O)Cc2cccc3ccccc23)s1 12697404 KRGFFVGWCZZISI-UHFFFAOYSA-N 416.506 4.687 0 40 HJAB O=C1CCCN1CCCNc1cc(-c2nc3ccccc3s2)c2ccccc2n1 12799489 GZKMYHBGNHFCJT-UHFFFAOYSA-N 402.523 4.936 0 40 HJAB Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCC(c3nc4ccccc4o3)CC2)no1 12815518 VNWKMKBSFALBJW-QFIPXVFZSA-N 416.481 4.684 0 40 HJAB CC(C)=C[C@@H]1[C@H](C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)C1(C)C 12987801 ABQBIWXPMGCECP-NFBKMPQASA-N 415.537 4.690 0 40 HJAB O=C1OC(c2ccccc2)=N/C1=C1/C=C(c2ccc3c(c2)OCCO3)Oc2ccccc21 13626143 BFGJGMFCKXUMTP-CLCOLTQESA-N 423.424 4.606 0 40 HJAB O=C(COc1ccc2ccccc2c1)Nc1ccccc1C(=O)N1CCCCCC1 14002792 YQEJSWZCKHKAGS-UHFFFAOYSA-N 402.494 4.874 0 40 HJAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)CCc2ccccc2)c(OC)c1 15953798 LXBRFSSHLGAUPU-DNRSQYFGSA-N 423.553 4.531 0 40 HJAB biogenic O=C(NCc1ccco1)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 16857444 CDVRXZNSOWFXEJ-UHFFFAOYSA-N 410.473 4.980 0 40 HJAB CCSc1nc2n(n1)[C@H](c1ccccc1)C(C(=O)Nc1ccccc1C)=C(C)N2 17316858 XWMNIPOWTUINRZ-LJQANCHMSA-N 405.527 4.626 0 40 HJAB Cc1cc(C)n(-c2nc(C(=O)N[C@@H](c3ccc(Cl)cc3)c3cccnc3)cs2)n1 19116450 QPKAVSTXEGOUPG-IBGZPJMESA-N 423.929 4.513 0 40 HJAB CCCOc1ccc(C(=O)CCNc2ccc(N3CCOCC3)c(Cl)c2)cc1 19626875 AANGPOJJJPNVRB-UHFFFAOYSA-N 402.922 4.650 0 40 HJAB Cc1cc(-c2cncnc2)cc([C@@H]2CCCN2Cc2ccc3c(c2)CC(C)(C)O3)n1 19690997 DCKCWDUIJIZUMN-QHCPKHFHSA-N 400.526 4.898 0 40 HJAB O=c1oc2c3c(c(Cl)cc2c2c1CCC2)OCN(Cc1ccccc1Cl)C3 20403879 VRQVIMSEVNJMLI-UHFFFAOYSA-N 402.277 4.941 0 40 HJAB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCc1ccccc1F)C3 20412279 IGUITDHUTJZGRP-UHFFFAOYSA-N 401.865 4.933 0 40 HJAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1OC[C@H]1CCCO1 21843912 RBDVEPPHZFHOEG-GOSISDBHSA-N 419.506 4.873 0 40 HJAB CC(C)N(C(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 23069069 DKCSSGLWIVBFLN-UHFFFAOYSA-N 422.506 4.599 0 40 HJAB Cc1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c2ccccn2)o1 27792945 AGQXRJMVWPGEQU-UHFFFAOYSA-N 408.841 4.898 0 40 HJAB C[C@H]1CCc2c(sc3nc(S[C@@H](C)c4nc(-c5ccco5)no4)nc(N)c23)C1 29738774 RNZJMOQIESFELM-UWVGGRQHSA-N 413.528 4.895 0 40 HJAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CN3CCCCCC3)cc2)c1 30939098 IEDFSEVTTAJJKZ-UHFFFAOYSA-N 400.906 4.755 0 40 HJAB Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 31890914 MYUFBHZIIFMBNO-HXUWFJFHSA-N 424.863 4.695 0 40 HJAB CCc1c(C)sc2c1c1nc(Cc3ccccc3)nn1c(=O)n2Cc1ccccc1 32088897 HOMYKJDLUSLWSI-UHFFFAOYSA-N 414.534 4.616 0 40 HJAB CCOc1ccc(NC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)cc1 36616941 RSWMLRDICCMRHJ-UHFFFAOYSA-N 416.481 4.603 0 40 HJAB Cc1c(C(=O)Nc2cc3c(cc2Cl)OCCCO3)oc2c1C(=O)CC(C)(C)C2 40115153 AEOYMKFRFYMENH-UHFFFAOYSA-N 403.862 4.810 0 40 HJAB CC(C)c1cc(C(=O)NCc2ccccc2N2CCCC2)c2cnn(C(C)C)c2n1 40157784 LKBRYVJCBLNFBF-UHFFFAOYSA-N 405.546 4.666 0 40 HJAB COc1cc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc23)cc(OC)c1 49005286 UTOJYQDCZYYWLQ-MRXNPFEDSA-N 420.513 4.714 0 40 HJAB COc1cc(Br)ccc1-c1oc(/C=C/C(=O)O)cc1Br 57353784 GQMWDNGUDUWGSK-HWKANZROSA-N 402.038 4.578 0 40 HJAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCOc1ccccc1-c1ccccc1 57992827 HZAANXOKEDJEPZ-UHFFFAOYSA-N 411.505 4.967 0 40 HJAB CCN(CC)c1nc2sc(C(=O)N3C[C@@H](C)O[C@H](c4ccccc4)C3)cc2s1 65626454 OTBMUQKGUOWWRE-ZBFHGGJFSA-N 415.584 4.806 0 40 HJAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)OC[C@@H]3CCCCO3)[C@H]2c2cccs2)cc1 69007481 SXVNDXPNDWOTIV-JQVVWYNYSA-N 413.539 4.653 0 40 HJAB COc1ccc(NC(=S)Nc2ccc(I)cc2)cc1Cl 71761834 IWPMNRGXPDNXNY-UHFFFAOYSA-N 418.687 4.762 0 40 HJAB Cc1ccc(CN(C)C)cc1NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 79013788 DVVCGDNXDBXBSG-UHFFFAOYSA-N 417.538 4.618 0 40 HJAB COc1cc(C(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)ccc1OCc1ccccc1 79104812 KMENHGIHJNWJDB-WMZHIEFXSA-N 419.521 4.559 0 40 HJAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@@H]1CC(=O)N1CCC[C@@H]1C1CCCC1 89800388 IHAMICQVNZUZEK-NVXWUHKLSA-N 412.477 4.690 0 40 HJAB O=C(C[C@H]1CCOc2ccccc21)N(c1nccs1)[C@@H]1CCCc2cccnc21 95997594 IHDIIHDSCCGJCR-IEBWSBKVSA-N 405.523 4.905 0 40 HJAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cc2cc(Br)ccc2s1 96115115 DYWSESICKUPINO-XJKSGUPXSA-N 407.377 4.658 0 40 HJAB biogenic COCCn1ccc2c(C(=O)N[C@H]3CCCc4c3[nH]c3ccc(OC)cc43)cccc21 96221413 ABJLBWGKYPORAU-QFIPXVFZSA-N 417.509 4.585 0 40 HJAB biogenic O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)C1C[C@@H]2CCC[C@@H](C1)C2=O 101413801 BNEAEVNAZZBINV-STQMWFEESA-N 406.313 4.572 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 222988744 MVSQJJAMTDWBML-GOSISDBHSA-N 400.950 4.606 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)ccc1C 223071184 YJZUFTIDOIXFQW-MOPGFXCFSA-N 414.977 4.831 0 40 HJAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 223861586 PVFAKQWOBFJPHM-MRXNPFEDSA-N 421.368 4.788 0 40 HJAB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCCCc3ccc(F)cc3)cn2)C1 223969060 AWLHLPPIQMTBQV-CALCHBBNSA-N 400.567 4.622 0 40 HJAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 224109426 PQAUYVDUKAONJR-LJQANCHMSA-N 422.550 4.620 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 225134625 IRIIFGPDLCKIEX-JOCHJYFZSA-N 412.599 4.811 0 40 HJAB CCOc1ccc(-c2noc(CN(C)C(=O)C3(c4ccccc4)CCCC3)n2)cc1 225347682 XPDSRPIRJICJKG-UHFFFAOYSA-N 405.498 4.606 0 40 HJAB Cc1cc(O)c(C2=NN(c3ccccc3)[C@@H](c3ccc(OC(F)F)cc3)C2)c(=O)o1 225392149 TZRVLOGCRWLUIL-GOSISDBHSA-N 412.392 4.611 0 40 HJAB CCOC(=O)c1cccc(NC(=S)NCCCSc2ccc(C)cc2)c1C 225588265 CPNJUVRIOSYYSF-UHFFFAOYSA-N 402.585 4.949 0 40 HJAB Cc1nc2ccccn2c1-c1nnc2sc(C(C)(C)Oc3ccc(Cl)cc3)nn12 227143613 DLJPBDKKXZMSJW-UHFFFAOYSA-N 424.917 4.776 0 40 HJAB Cc1cc(C)nc(Nc2cncc(C3CCN(Cc4ccc(C)c(C)c4)CC3)n2)n1 257283980 PATHQFBMAQEPOC-UHFFFAOYSA-N 402.546 4.623 0 40 HJAB CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)n(C)n1 257303224 SGGQTUJHXHSYIL-OAQYLSRUSA-N 406.530 4.565 0 40 HJAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)C4CCC(F)(F)CC4)[C@@H]3C[C@H]21 257309052 TZIDMABFOGRRAH-LFGUQSLTSA-N 405.485 4.730 0 40 HJAB O=C(CCCC(=O)OCC(=O)Nc1cccc2ccccc12)Nc1ccccc1Cl 408667845 RPKKQDKALIAGAD-UHFFFAOYSA-N 424.884 4.784 0 40 HJAB Cc1ccc(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 409120618 URORXLFUXAMFGI-UHFFFAOYSA-N 408.523 4.522 0 40 HJAB Cc1cccc(OCc2nn(CC(=O)Nc3cccc4ccccc34)c(=S)o2)c1 409164998 QTUOBALAKOMFMD-UHFFFAOYSA-N 405.479 4.885 0 40 HJAB O=C(CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)Nc1cccc2ccccc12 409350005 VSSGCWHCULVWFF-XDHOZWIPSA-N 406.438 4.654 0 40 HJAB Cc1c(CN2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)nc2ccccn12 585100550 NGRVDAGLTFMDFM-RUZDIDTESA-N 408.590 4.570 0 40 HJAB CCN1CCCCN(C(=O)c2ccc(C)cc2)[C@@H](C(C)C)COc2ccccc2C1=O 643567100 QSEBDBDIHYBCPC-HSZRJFAPSA-N 422.569 4.797 0 40 HJAB CC(C)c1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 627378 OOQFCMGZQKECHQ-RBUKOAKNSA-N 406.482 4.668 0 40 HJAB CCOC(=O)C1=CN(c2ccc(C)c(C)c2)C=C(C(=O)OCC)C1c1ccccc1F 717223 CKFHOTVQYAHXPJ-UHFFFAOYSA-N 423.484 4.940 0 40 HJAB COc1ccccc1NC(=O)CSc1nc(C)nc2sc3c(c12)CC[C@@H](C)C3 1326124 SCNQNUGJXRWWTM-GFCCVEGCSA-N 413.568 4.864 0 40 HJAB CSCc1cc(N2CCOCC2)nc(SCc2ccc(Cl)c(Cl)c2)n1 1387635 WTRXEPZLZIHAFM-UHFFFAOYSA-N 416.399 4.775 0 40 HJAB O=C(Nc1nc2n(n1)[C@H](c1ccccc1Cl)C[C@@H](c1ccccc1)N2)c1ccco1 2398369 DFSMFAADKMMFOB-ROUUACIJSA-N 419.872 4.923 0 40 HJAB CC(=O)c1ccc(NC(=O)c2ccccc2C(=O)Nc2ccc(C(C)=O)cc2)cc1 2751569 UKRFTOXXTCAVLX-UHFFFAOYSA-N 400.434 4.596 0 40 HJAB O=C(NCCCO)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 3004635 GAZZCXQJUVLBEN-UHFFFAOYSA-N 410.524 4.591 0 40 HJAB COc1cc2c(cc1OC)C(C(=O)c1ccc(OCc3ccccc3)cc1)=NCC2 3847360 AIHKSRHLEJTIDY-UHFFFAOYSA-N 401.462 4.511 0 40 HJAB biogenic COc1ccc(N2C(=O)C[C@@]2(/C=C/c2ccccc2)C(=O)Nc2ccccc2C)cc1 4090726 CNNFNPMISGSZCB-ZOGILVBSSA-N 412.489 4.831 0 40 HJAB biogenic CCOc1ccccc1C(=O)Nc1cc(C(=O)Nc2cc(C)ccn2)ccc1Cl 4631091 IAHFSGGDEVPRKG-UHFFFAOYSA-N 409.873 4.947 0 40 HJAB COc1ccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2cccc(C)c2)cc1OC 6679125 AEKANYRMQWPEKE-YCRPNKLZSA-N 423.538 4.670 0 40 HJAB Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(F)cc1 6914164 BKSWMSGJFNKPKH-UHFFFAOYSA-N 411.289 4.659 0 40 HJAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1OCc1ccc(Cl)cc1 6993405 HJXKELFATOSNPX-UHFFFAOYSA-N 422.912 4.904 0 40 HJAB COc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=NCCCCC2)cc1 7275521 OJDHBZAIBOIRJP-UHFFFAOYSA-N 402.441 4.958 0 40 HJAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)cc1 7496958 DSQGSEGTXYSIOZ-UHFFFAOYSA-N 413.949 4.595 0 40 HJAB Cc1cccc(-c2noc(CN(C(=O)c3ccccc3Br)C(C)C)n2)c1 7720415 MCWKTBVQVGUIJP-UHFFFAOYSA-N 414.303 4.858 0 40 HJAB O=C(CSc1nc2ccccc2[nH]1)N1N=C(c2cccs2)C[C@H]1c1ccco1 8134870 MSHRTDQKAKYZFU-INIZCTEOSA-N 408.508 4.687 0 40 HJAB O=C(NCCSCc1ccccc1F)c1ccc(OCc2cscn2)cc1 8369004 ASYANNZSWNWJSW-UHFFFAOYSA-N 402.516 4.524 0 40 HJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1Cc1ccncc1 8845962 SMWNMKBQCHOIFS-FQEVSTJZSA-N 402.837 4.587 0 40 HJAB CC(C)n1nc(C(=O)Nc2ccc(Br)cc2Cl)c2ccccc2c1=O 8855906 VCKSAUPRQUVMCV-UHFFFAOYSA-N 420.694 4.646 0 40 HJAB Cc1cc(C)c(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)c(Cl)c1 9339076 GOEBMXRYDZSNHC-UHFFFAOYSA-N 411.889 4.530 0 40 HJAB CCC(=O)N(c1nnc(SCc2csc(-c3ccc(F)cc3)n2)s1)C1CC1 9579180 IOUXJFZEDVKYIE-UHFFFAOYSA-N 420.560 4.998 0 40 HJAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)c1 9883334 GKXJPYMLLIRTFT-LBPRGKRZSA-N 419.428 4.971 0 40 HJAB CC(=O)Nc1cccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)c1 10220419 OVPVARYVNKBILY-UHFFFAOYSA-N 419.872 4.593 0 40 HJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(O)c(OCc2ccc(F)cc2)cn1 12168716 HNHNNJPXYJUOEI-UHFFFAOYSA-N 422.334 4.656 0 40 HJAB COc1ccc(OC)c2[nH]c(C(=O)N3[C@H]4CC[C@@H]3CC(c3ccc(F)cc3)C4)cc12 12181173 IEIMGBPNXQUSLP-ZNXRZULTSA-N 408.473 4.875 0 40 HJAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)sc1C 12228024 UAUVVJVLCOXNEP-CDNWVTEYSA-N 416.612 4.553 0 40 HJAB COc1ccc([C@H]2CC(=O)c3c(C)cc4oc(=O)c5c(c4c3O2)CCCC5)cc1OC 12297014 OVMHSCAYEDLKEV-LJQANCHMSA-N 420.461 4.704 0 40 HJAB biogenic COc1cc(C(=O)N[C@@H](C)Cc2ccc3oc4ccccc4c3c2)cc(OC)c1OC 12401837 MIDCPZNPCJUMAQ-HNNXBMFYSA-N 419.477 4.973 0 40 HJAB Cc1cc(C)cc(N2C[C@@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)c1 12414362 SBAIZVGGFBFJDA-HNNXBMFYSA-N 401.388 4.893 0 40 HJAB O=C(CSc1nc2cc(Cl)cc(Cl)c2[nH]1)Nc1ccc2c(c1)OCCCO2 12577724 DVIPJWDCVRIAIA-UHFFFAOYSA-N 424.309 4.762 0 40 HJAB CSc1ncc(C(=O)Nc2ccc(-c3cn4c(n3)CCC4)cc2)n1-c1ccccc1 12628697 YUJPOSGGIIJFKM-UHFFFAOYSA-N 415.522 4.656 0 40 HJAB CCOc1ccc2oc(C(=O)NC3CCN(C(=O)Nc4ccccc4)CC3)c(C)c2c1 12798740 BFLOBUYHNQDBGQ-UHFFFAOYSA-N 421.497 4.566 0 40 HJAB COc1ccc([C@H](CNC(=O)c2c(-c3ccccc3)noc2C)N2CCCCC2)cc1 12901277 RZJOGXWKHFTGFD-QFIPXVFZSA-N 419.525 4.616 0 40 HJAB C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O 13017406 RSNSTZVGSHAORR-FQEVSTJZSA-N 416.264 4.616 0 40 HJAB CC(C)N1COc2ccc3cc(-c4ccccc4OC(F)(F)F)c(=O)oc3c2C1 13690460 UUNANLHTNZYSGZ-UHFFFAOYSA-N 405.372 4.919 0 40 HJAB COc1cc(CCC(=O)Nc2ccc3c(C)c(C(=O)c4ccccc4)oc3c2)on1 13692110 YQXOPYRRRONXGL-UHFFFAOYSA-N 404.422 4.540 0 40 HJAB biogenic O=C(Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1)NCc1cccs1 13716626 HXQBRPULGBSSDZ-UHFFFAOYSA-N 418.440 4.878 0 40 HJAB COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1COc1ccc(-c2ccccc2)cc1 13961503 KZNCPDBPSXLOOG-GGAORHGYSA-N 421.518 4.729 0 40 HJAB C[C@@H]1CC(=O)c2c(OCC(=O)N[C@H](C)c3ccc(Br)cc3)ccc(F)c21 14369384 CKDWRKZVPVJEHW-VXGBXAGGSA-N 420.278 4.534 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cn2nnc3ccccc32)cc1 15583043 WZGITIKYWPIIFY-UHFFFAOYSA-N 418.500 4.999 0 40 HJAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cc(C)ccc1C 17087620 URNPVWVIBYJQBH-UHFFFAOYSA-N 407.333 4.510 0 40 HJAB Cc1ccc2c(CSc3nnc([C@@H]4COc5ccccc5O4)o3)cc(=O)oc2c1C 17658704 LDULVGHMQWDJLS-SFHVURJKSA-N 422.462 4.598 0 40 HJAB Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(Cc3ccc(F)cc3)CC2)on1 19123228 FFUBRTLNEUMULF-UHFFFAOYSA-N 409.509 4.779 0 40 HJAB Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1C 19213481 GVXCQUCJRYYZLB-YADHBBJMSA-N 415.961 4.649 0 40 HJAB CC(C)c1nc([C@H](Cc2c[nH]c3ccccc23)NCc2ccc(F)cc2)cc(=O)[nH]1 19453480 OOHYEAXTAWYZHL-NRFANRHFSA-N 404.489 4.587 0 40 HJAB CCCc1ncc(-c2cc(C)no2)c([C@H]2CCCCN2C(=O)c2ccccc2F)n1 19525591 GYOIFLHFGVDAPI-LJQANCHMSA-N 408.477 4.899 0 40 HJAB FC(F)(F)c1ccc(OCCc2cc([C@@H]3CCCN3Cc3ccncc3)n[nH]2)cc1 19703707 KZTJVNYPGJMZAH-NRFANRHFSA-N 416.447 4.782 0 40 HJAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCCN3C3CCCCC3)nc2C)c1 19754010 IMLZWJFFYOEKKQ-HSZRJFAPSA-N 422.573 4.583 0 40 HJAB Cc1ccc(C(=O)c2ccc(NC(=O)c3ncn(-c4ccc(Cl)cc4)n3)cc2)cc1 19910787 KZYPIJXEHTZGPH-UHFFFAOYSA-N 416.868 4.712 0 40 HJAB O=C(c1sc2cccc(Cl)c2c1Cl)N1CCN(CCc2ccccn2)CC1 20573543 GQODCJDXORJNQM-UHFFFAOYSA-N 420.365 4.604 0 40 HJAB COc1ccc(Cc2nc3ccccc3n2C[C@@H](O)COc2cccc(C)c2C)cc1 21659922 DGBMNRYCLJLXCY-OAQYLSRUSA-N 416.521 4.692 0 40 HJAB O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCO[C@@H](c2ccccc2)C1 27907645 MRSVPFRQDOEXKN-OAQYLSRUSA-N 415.518 4.815 0 40 HJAB COc1ccc(CNC(=O)c2ccn(COc3ccc(-c4ccccc4)cc3)n2)cc1 27972108 SCJFPSCWPUEPOQ-UHFFFAOYSA-N 413.477 4.525 0 40 HJAB COC(=O)c1cc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)ccc1Cl 30938934 CMZWWEGXQHZBSK-UHFFFAOYSA-N 400.906 4.611 0 40 HJAB CCN(CC)[C@H](CNC(=O)Cc1coc(-c2ccccc2)n1)c1ccccc1Cl 32317247 VWJJUWCYDGTIIY-OAQYLSRUSA-N 411.933 4.737 0 40 HJAB Cc1c([C@@H](C)NC(=O)c2ccc(Cl)nc2)cnn1-c1cccc(C(F)(F)F)c1 32765252 LVKVVKGOSPVMNP-LLVKDONJSA-N 408.811 4.739 0 40 HJAB COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3cccc(C)c3)n2)cc1 33012976 LUWTYOKSOVTOAW-UHFFFAOYSA-N 415.449 4.885 0 40 HJAB COc1ccc(CN2C(=O)/C(=C\N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3C2=O)cc1 34858976 OBOIWTUNSQCWPD-PHPPXPKMSA-N 418.537 4.633 0 40 HJAB COCc1nn2c(C)c(C(=O)Nc3ccc(F)c(Cl)c3)cnc2c1-c1ccccc1 38829717 SVAALFZEVVRYJK-UHFFFAOYSA-N 424.863 4.896 0 40 HJAB O=C(Nc1nnc(C2CC2)s1)c1ccc(COc2ccc(Br)cc2)o1 40140351 GWYVFYWREWYGPA-UHFFFAOYSA-N 420.288 4.602 0 40 HJAB CCOc1ccc(C(=O)CCC(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)cc1 48290855 SYLFQICUQFYPKQ-QFIPXVFZSA-N 421.497 4.612 0 40 HJAB COc1cccc(C2=NN3[C@H](C2)c2cc(C)ccc2OC32CCN(C(C)C)CC2)c1 51329997 QXDDKUIOMHIMJV-HSZRJFAPSA-N 405.542 4.748 0 40 HJAB CCN(CC)C(=O)c1cccc(NC(=O)CN[C@@H](C)c2cccc3ccccc23)c1 57442462 XKXLIJQRSPPAQJ-SFHVURJKSA-N 403.526 4.611 0 40 HJAB CC(=O)Nc1ccc(CN2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)cc1 72376049 RGOGEKNNPFBWHA-OAQYLSRUSA-N 415.541 4.867 0 40 HJAB COc1ccc(-c2nc(CC(=O)Nc3nnc(C4CCCC4)s3)cs2)cc1 72405615 WXDIVCFNNRRLNN-UHFFFAOYSA-N 400.529 4.509 0 40 HJAB Cc1cnn(-c2ccc(C(=O)N(CCc3ccccc3)c3nc(C)cs3)cc2)c1 78732971 ZZTXVEDGMPNQFV-UHFFFAOYSA-N 402.523 4.835 0 40 HJAB C[C@H](CC(=O)c1ccccc1)NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 79103296 JNNAHIHOVAIORV-OAHLLOKOSA-N 407.495 4.783 0 40 HJAB Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl 84012053 XQKPHBLHNRMYKY-UHFFFAOYSA-N 405.285 4.712 0 40 HJAB COc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1OC 210199201 ILBPFMWVLZSHOM-OQLLNIDSSA-N 405.859 4.607 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 223221117 DXEXUPPSWGXGTG-MRXNPFEDSA-N 421.368 4.870 0 40 HJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1Cc1ccncc1 223511522 QJRIWRQOPSZRQA-XZOQPEGZSA-N 412.518 4.909 0 40 HJAB O=C(CSCc1ccccc1Cl)NCc1ccccc1CN1CCCCC1 224806635 URBXQXRRSLCYMY-UHFFFAOYSA-N 402.991 4.876 0 40 HJAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(Cl)c3C)o2)c(OC)c1 224867625 CHFCEFWJHMKNNM-UHFFFAOYSA-N 400.862 4.892 0 40 HJAB Cc1cccc(CSCCNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c1 225339098 TZBWNPPTFMQSSJ-UHFFFAOYSA-N 413.612 4.650 0 40 HJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225413839 OXVKAAHSJMVCIF-AWEZNQCLSA-N 403.891 4.663 0 40 HJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 225667658 WLXVSAZUKMKJAM-WMZHIEFXSA-N 412.549 4.707 0 40 HJAB Cc1ccc(C)c(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)c1 225672699 RJEIXVAQPNPUSI-LJQANCHMSA-N 414.977 4.689 0 40 HJAB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1cccc2c(Br)cccc12 226366078 QEILYNVYUYMGOP-UHFFFAOYSA-N 407.267 4.653 0 40 HJAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)C[C@@H]4C=CCC4)C3)cc2N1 248154322 CPUMKJXKZRGZIE-MXSMSXNCSA-N 424.511 4.889 0 40 HJAB O=C(O)CCN(CCc1ccccc1)C(=O)c1cccc(OCc2cccc(F)c2)c1 257230291 GBPJKWFGKSPUPZ-UHFFFAOYSA-N 421.468 4.564 0 40 HJAB COc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)cn1 257287240 PPDDHLQIMWCMPB-LJQANCHMSA-N 411.889 4.690 0 40 HJAB Cc1noc(C)c1CCC(=O)N1CC[C@@H](Nc2cccc(F)c2)[C@@H](CC(C)C)C1 257307236 SXUPPPRIKALRSW-PGRDOPGGSA-N 401.526 4.738 0 40 HJAB COc1cccc(CC(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)c1 257322404 WFVIPKLVTDASJC-LJQANCHMSA-N 424.928 4.876 0 40 HJAB O=C(c1cccs1)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CC3)c12 306139801 UAXSFTDERLIWEV-UHFFFAOYSA-N 405.523 4.546 0 40 HJAB COc1cccc(CNC(=S)c2ccc(OCc3ccc(F)cc3)c(OC)c2)c1 408573752 KHJBFQFQYRLJFO-UHFFFAOYSA-N 411.498 4.887 0 40 HJAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(C)cc1Br 408643251 QUWFLUGMLGKNAV-ZDUSSCGKSA-N 421.722 4.711 0 40 HJAB COc1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)O)c(OC)c1 408881335 KSXCAXPYKZTXSL-UHFFFAOYSA-N 404.875 4.851 0 40 HJAB CCN(CC)C(=O)CSc1nnc(CCc2ccccc2)n1-c1ccc(C)c(C)c1 409212069 PTCUAARPDKZLQM-UHFFFAOYSA-N 422.598 4.630 0 40 HJAB C[C@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccc(F)c2ccccc12 551005656 NEQFUZDUDXWFMB-PXNSSMCTSA-N 406.501 4.739 0 40 HJAB O=C(N1CCC2(CC1)C[C@H](Oc1ccccc1)CO2)C1(c2cccc(F)c2)CCCC1 1848355688 GRRGZSPROHNWBN-QHCPKHFHSA-N 423.528 4.867 0 40 HJAB Cc1ccc([C@@H]2C[C@@H](C(F)F)n3ncc(C(=O)NCCc4ccccc4)c3N2)cc1 900789 XZEYKPPRLNWZHW-PMACEKPBSA-N 410.468 4.527 0 40 HJAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC=C1C(=O)CC(C)(C)CC1=O 1107322 KTSJQZFKFKLMIW-UHFFFAOYSA-N 401.484 4.747 0 40 HJAB Cc1sc2nc(C3CC3)nc(SCC(=O)Nc3ccc4c(c3)OCO4)c2c1C 1377412 APJMPDSOIRTCTE-UHFFFAOYSA-N 413.524 4.645 0 40 HJAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(OC)cc2)cc1 1453761 QSAUBTCGSFZJBA-DHLKQENFSA-N 416.477 4.955 0 40 HJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccn(Cc2ccc(Cl)cc2)c1=O 1503251 YPUYBYBRGSCXEI-UHFFFAOYSA-N 422.790 4.701 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c1 2075804 IBTOSJSWABFMLO-WIYYLYMNSA-N 412.530 4.741 0 40 HJAB CN(C)c1ccc([C@H](O)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 2439013 SHTXJBNMQKJCIG-RNWIMVQKSA-N 416.502 4.762 0 40 HJAB O=C(COc1ccccc1-c1ccccc1)N1CCN(c2ccccc2Cl)CC1 2657486 UFVFJVXPYPVFTI-UHFFFAOYSA-N 406.913 4.735 0 40 HJAB CCCC(=O)N1c2ccccc2-c2nnc(SCC)nc2O[C@H]1c1cccs1 3637606 WBNUJEZXDSLDEQ-IBGZPJMESA-N 412.540 4.936 0 40 HJAB CCCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O 4134076 JDZBAFPOHSDANE-UHFFFAOYSA-N 423.582 4.522 0 40 HJAB Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc4c(c3)OCCO4)sc2c1 4273157 PFEXFQYKFPLRIR-UHFFFAOYSA-N 417.490 4.618 0 40 HJAB CCc1ccccc1N1C(=O)N(Cc2ccccc2C)c2ccccc2S1(=O)=O 4316602 XHRBHABBBPBKIL-UHFFFAOYSA-N 406.507 4.893 0 40 HJAB O=C(NCc1nnc(SCc2cccc3ccccc23)o1)c1c(F)cccc1F 4354418 PZYDLORRTLBLHJ-UHFFFAOYSA-N 411.433 4.723 0 40 HJAB CCOc1ccc(C(=O)NC(=S)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1Cl 4657389 XMQRBYFRQOZYLS-QRYOHXEKSA-N 421.006 4.948 0 40 HJAB CC[C@H](C)c1ccccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 5318908 IGCMFYQDWZBBHY-GJZGRUSLSA-N 409.555 4.735 0 40 HJAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 5383446 QMBJSIBWORFWQT-GHBJZYDUSA-N 404.934 4.752 0 40 HJAB S=C(NC[C@@H]1CCCO1)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 6335548 TZBOBUYUGJHYDP-MAUKXSAKSA-N 413.974 4.596 0 40 HJAB Cc1cc(C)c(NC(=O)CCCSCC(=O)Nc2cc(F)ccc2F)c(C)c1 6610743 QUVDTYSIMDJDPY-UHFFFAOYSA-N 406.498 4.981 0 40 HJAB Cc1cc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)c(C)n1Cc1ccccc1 6683580 HZZFVGBDBQICPV-UHFFFAOYSA-N 402.523 4.913 0 40 HJAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1C(F)(F)F 7166556 CWGCTATYQCVQID-UHFFFAOYSA-N 400.404 4.943 0 40 HJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 8041768 KCMCURSWJIATDI-FQEVSTJZSA-N 416.521 4.682 0 40 HJAB Cc1ccc(-n2c(SCC(=O)c3c[nH]c4ccccc34)nnc2N2CCCC2)cc1 8194667 PNJMBYUDVKRLLT-UHFFFAOYSA-N 417.538 4.632 0 40 HJAB CC(C)[C@H](NC(=O)c1ccccc1Br)c1ccc2c(c1)OCCCO2 8394485 CWBOSAWRBVYFIQ-IBGZPJMESA-N 404.304 4.738 0 40 HJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2F)N1c1ccccn1 8642950 GBASRPHHQAWLCM-IBGZPJMESA-N 406.800 4.730 0 40 HJAB Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(C)c3)cs2)cc1 8852861 NUXDKLVOVXXEKR-UHFFFAOYSA-N 411.552 4.672 0 40 HJAB O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)NC1CCCCC1 9200153 DAAOHKGFSAWTGA-UHFFFAOYSA-N 407.539 4.791 0 40 HJAB CCc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 9589529 SNSKVBBXLFAXIF-UHFFFAOYSA-N 421.880 4.929 0 40 HJAB Cc1ccsc1CN(C)C(=O)/C=C/c1ccc(OCc2cn3ccccc3n2)cc1 9740791 HYSQJVOWQTWKLR-DHZHZOJOSA-N 417.534 4.955 0 40 HJAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(C)cc1 9859136 HDWCYNYISGNRES-LJQANCHMSA-N 414.552 4.738 0 40 HJAB Cc1cc2nc(-c3ccc(CNC(=O)COc4ccccc4F)cc3)oc2cc1C 10120461 WJLZBBBNCVNSCT-UHFFFAOYSA-N 404.441 4.946 0 40 HJAB CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3ccc(OC)cc3)C[C@H]21 10215649 NGJIEADDSOEYDU-QPPBQGQZSA-N 401.466 4.731 0 40 HJAB CCOc1c(Cl)cc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc1OC 12618796 URKPMKLSMBAUSC-UHFFFAOYSA-N 406.891 4.702 0 40 HJAB O=c1[nH]c(CN2CCCC[C@@H]2c2nc3ccccc3s2)nc2ccc(Cl)cc12 12727495 AELAXXYKULNQSK-QGZVFWFLSA-N 410.930 4.913 0 40 HJAB CCc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3ccccc3Cl)cs2)cc1 12767876 MUIUORZXXLYRIR-UHFFFAOYSA-N 413.930 4.737 0 40 HJAB COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)N(C)C)c3ccccc3n2)cc1 12781648 LJVCNWXUTOFMRI-QHCPKHFHSA-N 415.493 4.536 0 40 HJAB COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccncc4)cc3c2C)c1 13732554 IFGJQGJEUFWXMS-UHFFFAOYSA-N 416.433 4.637 0 40 HJAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cccc(C)c3)n2C)cc1 13871290 ODOFSAQHVSAPRH-INIZCTEOSA-N 410.543 4.557 0 40 HJAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc(C)c1 13879579 RMYMZUZAKYBZRS-UHFFFAOYSA-N 410.543 4.533 0 40 HJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1Br 15576930 NUJZQMYAICQKMF-UHFFFAOYSA-N 406.667 4.724 0 40 HJAB Cc1ccc(-c2nc(CNC(=O)COc3ccc(Br)cc3)cs2)cc1 15832483 UPBSMIRXNWMKMN-UHFFFAOYSA-N 417.328 4.576 0 40 HJAB CCCOc1cccc(C(=O)NC(=S)Nc2cc(NC(=O)CC)ccc2Cl)c1 17092036 GNWBVFKHKUCZNX-UHFFFAOYSA-N 419.934 4.604 0 40 HJAB COc1ccc(CNc2ncc(-c3ccncc3)c(-c3cccs3)n2)cc1OC 19561265 UGWXCZLDJJKXOF-UHFFFAOYSA-N 404.495 4.896 0 40 HJAB COc1ccccc1OCc1cc([C@@H]2CCN(Cc3cccc4ncccc34)C2)n[nH]1 19704357 KJSYWQVRJBIKGW-LJQANCHMSA-N 414.509 4.535 0 40 HJAB CN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2cccc(Cl)c2)S1(=O)=O 20063407 MKPJCGZRODARHD-UHFFFAOYSA-N 424.909 4.518 0 40 HJAB O=C(CSc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20238395 MKWCIGGIDZMJHQ-UHFFFAOYSA-N 402.563 4.713 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1 20457023 GJSUGTNFMSMSNJ-GOSISDBHSA-N 408.523 4.595 0 40 HJAB O=C(Nc1nc2ccccc2[nH]1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 23190755 MJQMFFQDSYONIQ-UHFFFAOYSA-N 405.767 4.673 0 40 HJAB O=C(CCn1c(=O)oc2ccccc21)N[C@@H](c1ccccc1)c1cc2ccccc2o1 24709333 KURJRHDDHDCNDS-DEOSSOPVSA-N 412.445 4.637 0 40 HJAB CC(C)c1ccc(-c2nc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)cs2)cc1 24865876 PHGJSMSSNUWHNG-CYBMUJFWSA-N 407.495 4.905 0 40 HJAB Cc1nn(-c2ccc(NC(=O)c3cccc(F)c3F)cc2)c(C)c1Br 27924678 RGGLASDHGMNDON-UHFFFAOYSA-N 406.230 4.782 0 40 HJAB Cc1ccc(Cn2nc(C)c(NC(=O)c3c(C)nn(-c4ccccc4)c3C)c2C)cc1 28229288 LRWCUBWNRWVQQS-UHFFFAOYSA-N 413.525 4.912 0 40 HJAB c1cncc(-c2nnc3n2[C@@H](CSc2nc(C4CC4)nc4ccccc24)CS3)c1 30572479 BAGVPPWRFNCLPX-HNNXBMFYSA-N 418.551 4.600 0 40 HJAB COc1cc(CNCc2ccccc2OC(F)(F)F)ccc1OCc1ccncc1 30629049 WCAZJJHMJRFPKH-UHFFFAOYSA-N 418.415 4.858 0 40 HJAB Cc1ccc([C@@H](C)NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c(C)c1 30855322 UWUYJWOWHJAXLJ-GOSISDBHSA-N 422.550 4.623 0 40 HJAB CCOc1ccc(-c2noc(CSc3nccn3-c3ccccc3)n2)cc1OC 33278087 ZYXMWTZAAKVKCD-UHFFFAOYSA-N 408.483 4.622 0 40 HJAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccc(OCc2ccccc2)cc1)CC3 35103825 LXROXJUWTOJJNM-RGEXLXHISA-N 424.456 4.618 0 40 HJAB COC(=O)c1ccccc1Nc1c(-c2ccc(Br)cc2)nc2cnccn12 35616435 OMBCSXAGJTZRLX-UHFFFAOYSA-N 423.270 4.689 0 40 HJAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccc(-c2nc3ccccc3s2)o1 39964474 FVIUAHUGOMANQU-UHFFFAOYSA-N 419.414 4.725 0 40 HJAB CC(C)(C)C[C@@H](NC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 43946949 WJBKOQWHLUZHRF-HXUWFJFHSA-N 415.559 4.526 0 40 HJAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1C 48365497 UMTSQFIPSGBPAZ-KRWDZBQOSA-N 407.297 4.554 0 40 HJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)c(C)c1 59227408 ZWANPMZCSMRMJU-CYBMUJFWSA-N 421.722 4.711 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 72058559 UXDFFQLISYHZSJ-JOCHJYFZSA-N 400.482 4.733 0 40 HJAB COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)Cc1nc(CC(C)C)no1)CCO2 72296475 BMXVZUNWKSGYNB-NRFANRHFSA-N 407.514 4.803 0 40 HJAB CC(C)(C)OC(=O)N1CCC(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 98210991 ZOBPEEGDRUYOSY-UHFFFAOYSA-N 411.424 4.945 0 40 HJAB COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2cccc(OC)c2)cc1 100778090 RYFUFGQVDDUNKK-UHFFFAOYSA-N 401.418 4.730 0 40 HJAB biogenic Cn1ccnc1SC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918396 CPDBALYNZRPEBV-BUZGTXCDSA-N 416.631 4.855 0 40 HJAB Cc1cc(C)c(OCC(=O)n2c(C)c(C(=O)O)c3ccccc32)c(Br)c1 216825127 CRLLACHARDOYCG-UHFFFAOYSA-N 416.271 4.746 0 40 HJAB Cc1ccc([C@H](C)NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c(C)c1 222537792 IPPONAFAAJVHPL-IBGZPJMESA-N 422.550 4.620 0 40 HJAB Cc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1N1CCCCS1(=O)=O 222568704 PEBZHTPXRJUCEJ-UHFFFAOYSA-N 400.544 4.609 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 222982435 HNMMWVRLQPZBGP-HXUWFJFHSA-N 418.537 4.552 0 40 HJAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc21 223118322 YYXHMFTVXGETTH-UHFFFAOYSA-N 413.543 4.591 0 40 HJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 224051286 QPFWKPNFVVJYGL-HNNXBMFYSA-N 421.368 4.868 0 40 HJAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)oc3ccccc34)ccc21 225150445 OYCDQJQMLPNFGL-UHFFFAOYSA-N 420.490 4.686 0 40 HJAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(OC)c3ncccc13)CC(C)(C)O2 225685065 ANYHJFVMUKBQQR-GOSISDBHSA-N 423.538 4.841 0 40 HJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 225718673 NVVWWEOQCQFFDS-JOCHJYFZSA-N 424.585 4.695 0 40 HJAB O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2ccc(Cl)cc2)n1C1CC1 240104284 UONRLUYPIDJQPM-UHFFFAOYSA-N 407.926 5.672 0 40 HJAB Cc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(Cc4ccc(C(=O)O)cc4)CC[C@@H]3O[C@H]21 257306378 SUBJMZWKOYDDHD-LKFPXLSTSA-N 421.537 4.833 0 40 HJAB CCCOc1ccc(Cl)cc1C(=O)Nc1cccc(I)c1 408585443 DTYNIPPTZPSLRM-UHFFFAOYSA-N 415.658 4.986 0 40 HJAB O=S(=O)(c1ccccc1)N(Cc1ccc(Br)cc1)c1ccccc1F 408628057 SFXLTWOZGSQZFK-UHFFFAOYSA-N 420.303 4.984 0 40 HJAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 408628903 XUBRTZNVXGCJKY-UHFFFAOYSA-N 402.825 4.803 0 40 HJAB Cc1cccc(N2C[C@H](C(=O)NCCC(c3ccccc3)c3ccccc3)CC2=O)c1 408707377 JRGMSMOBOGINQW-HSZRJFAPSA-N 412.533 4.686 0 40 HJAB O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 409021592 OZOKADJIJDXQTG-UHFFFAOYSA-N 424.972 4.674 0 40 HJAB CC(C)CC(=O)N[C@@H](C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 518962535 ZMALOCZYHQOJNI-IIBYNOLFSA-N 420.475 4.656 0 40 HJAB Cc1ccc2cc(CNC(=O)c3sc(Cc4ccccc4)nc3C)c(O)nc2c1 585294450 FRIYGWSXMUJCOS-UHFFFAOYSA-N 403.507 4.535 0 40 HJAB O=C1C[C@@H]2CCN(CC3CCCC3)C[C@@H]2CCOc2ccc(C(F)(F)F)cc2N1 1534646266 HCRRBRVIZPACIO-IRXDYDNUSA-N 410.480 4.945 0 40 HJAB CN(Cc1cccc(O)c1)Cc1cccc(OCC(F)(F)F)c1Br 1652646794 WKIIBVYCOIDPCM-UHFFFAOYSA-N 404.226 4.728 0 40 HJAB O=C(O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2cccs2)cc1 626683 MROCJNRJYNHDNK-FQEVSTJZSA-N 401.447 4.586 0 40 HJAB O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)NC1CCCCC1 890829 XACICVDHKRTFBU-UHFFFAOYSA-N 413.440 4.843 0 40 HJAB Cc1cc2cc(C)c3nnc(SCC(=O)N4c5ccccc5C[C@H]4C)n3c2cc1C 1223256 PNCYNAKETANPAN-QGZVFWFLSA-N 416.550 4.878 0 40 HJAB Cc1nc2ccc(NC(=O)c3ccccc3F)cc2c(=O)n1Cc1ccc(Cl)cc1 1363156 QOFMBSZTKSFTMS-UHFFFAOYSA-N 421.859 4.798 0 40 HJAB c1ccc(C[C@H](CCNCc2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)cc1 1824703 UWNSISRMZOSORT-NRFANRHFSA-N 403.478 4.650 0 40 HJAB CCOC(=O)c1cccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)c1 2233139 YJSKZRASHWAGAZ-UHFFFAOYSA-N 400.463 4.874 0 40 HJAB O=C(Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O)c1cccc(Cl)c1 2409663 GPLKFZBMJHJZKA-AWEZNQCLSA-N 412.276 4.948 0 40 HJAB Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 2417587 CGUVAVYGSRWKBY-BJKOFHAPSA-N 410.452 4.938 0 40 HJAB CC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@@H](c1ccc(Cl)cc1)N2 2424351 PDZVGUBLBINTCB-IRXDYDNUSA-N 402.285 4.690 0 40 HJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(COc3ccccc3Cl)o2)cc1 3364627 KBUWEIBZTRHVES-CYBMUJFWSA-N 403.891 4.730 0 40 HJAB CCOc1ccc(-c2ccc(SCC(=O)Nc3ccc(F)c(F)c3)nn2)cc1 4355990 IBHCXAFCRVFLBS-UHFFFAOYSA-N 401.438 4.551 0 40 HJAB Cc1cccc2sc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)nc12 4583468 GGBDRDDYGHUQRT-UHFFFAOYSA-N 405.445 4.586 0 40 HJAB COc1cc(CCC(=O)Nc2ccc(N3CCCCCC3)cc2)cc(OC)c1OC 5245036 YOYCULFHCGEHRI-UHFFFAOYSA-N 412.530 4.664 0 40 HJAB Cc1oc2cc(O[C@@H](C)C(=O)NCc3ccccc3)ccc2c(=O)c1-c1ccccc1 5498014 CGLAYTZMGQGCSF-SFHVURJKSA-N 413.473 4.852 0 40 HJAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1cccc(C(=O)O)c1 5520838 PDFJCAMAIPMAJL-UHFFFAOYSA-N 404.344 4.872 0 40 HJAB O=C(CSc1ccc2c(c1)OCCCO2)N[C@@H](c1ccccc1)c1cccs1 7021739 AZVJJEHNPMWBNU-QFIPXVFZSA-N 411.548 4.907 0 40 HJAB CCCCn1nnnc1NCc1c(OCc2ccccc2F)ccc2ccccc12 7262110 HVHYSRHDOHFKRL-UHFFFAOYSA-N 405.477 4.957 0 40 HJAB Cc1cc(C(=O)OCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c2ccccc2n1 7480075 WZYGODIJUNYJHS-UHFFFAOYSA-N 417.292 4.665 0 40 HJAB Cc1cccc(CN2C(=O)N(c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)c1 7615997 FBXVVKAHPWQKGE-UHFFFAOYSA-N 406.507 4.947 0 40 HJAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 7677760 QSYSHVYEFOBLSH-GOSISDBHSA-N 414.534 4.654 0 40 HJAB O=C(Nc1ccccc1-c1nc2ccccc2s1)[C@@H]1CC(=O)N(Cc2ccco2)C1 7987867 VZKWBPDNYZYMIQ-OAHLLOKOSA-N 417.490 4.544 0 40 HJAB Cn1ccnc1[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 8118066 ONZWNUJUWHDYBV-GOSISDBHSA-N 407.823 4.541 0 40 HJAB Cc1cc(NC(=O)c2ccc(CN3C(=O)CC4(CCCC4)C3=O)cc2)ccc1Cl 8395408 MZKJIRDKWDMWQQ-UHFFFAOYSA-N 410.901 4.720 0 40 HJAB O=Cc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Br)c1 9397141 QYQCECFJTDGMTK-UHFFFAOYSA-N 403.059 4.586 0 40 HJAB O=C(OCc1nnc(-c2ccccc2)o1)c1cc(-c2ccccc2)nn1-c1ccccc1 9544410 UYPCNTUDLOSVAH-UHFFFAOYSA-N 422.444 4.946 0 40 HJAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(OCc2ccc(F)cc2)c1 9713252 WPYZZRPADDJZOF-UHFFFAOYSA-N 404.441 4.549 0 40 HJAB CC(=O)c1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)c1 10364986 PYGRXMIYEHXSLJ-UHFFFAOYSA-N 422.506 4.559 0 40 HJAB Cc1cc(C(=O)Nc2ccc(Br)cc2Cl)c2cnn(C(C)C)c2n1 10962461 WIGFZHNHSAMANX-UHFFFAOYSA-N 407.699 4.989 0 40 HJAB CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)O 11566017 QYDJYUTXRGUFMB-UHFFFAOYSA-N 405.516 4.796 0 40 HJAB CCOc1ccccc1NC(=O)CSc1nnc2cc(C)c3cccc(C)c3n12 11907907 OWISEEAZCXWCAE-UHFFFAOYSA-N 406.511 4.629 0 40 HJAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)cc2N1 12160766 BNYNCHGSLWBOGM-CIRFHOKZSA-N 424.511 4.889 0 40 HJAB COC(=O)CCC(=O)Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1 12417597 OJLDHEHXSBSKPL-UHFFFAOYSA-N 420.252 4.602 0 40 HJAB O=C(/C=C/c1ccc(Br)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12852365 QRJXFJYQMBRYQM-DNXKIMQPSA-N 414.299 4.597 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccccc1C)CC2 12911942 WDZKBAXAQKOVKO-SANMLTNESA-N 416.521 4.598 0 40 HJAB CCN(CC)C(=O)c1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c1 12927509 XMDHBTSFZYMBAP-UHFFFAOYSA-N 410.905 4.568 0 40 HJAB CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C 14427968 JJNLIVRSLABZSK-SFHVURJKSA-N 414.571 4.681 0 40 HJAB CCC(CC)c1nnc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)s1 14857061 HOLDQAYANWCARE-UHFFFAOYSA-N 413.522 4.898 0 40 HJAB O=C(Nc1c(NC2CCCCC2)c2ccccc2oc1=O)c1ccc2c(c1)OCO2 15777695 NWCNHCKFXNISNC-UHFFFAOYSA-N 406.438 4.519 0 40 HJAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 17089002 GCEFOKKQCCBNMA-QGZVFWFLSA-N 411.571 4.981 0 40 HJAB CCOC(=O)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1 17169683 WRQRKGKFHQESME-UHFFFAOYSA-N 422.912 4.971 0 40 HJAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)CC2CCCCC2)cc(N(C)C)n1 19240849 KWYNPQJYXQFJOV-QFIPXVFZSA-N 419.573 4.703 0 40 HJAB CC(=O)Nc1cccc(-c2nnc(SCc3cccc(Br)c3)o2)c1 19929275 PXDWRBPNTYQMHG-UHFFFAOYSA-N 404.289 4.750 0 40 HJAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(Cl)c1 19934457 AGRHRGAQWJQCJO-UHFFFAOYSA-N 408.690 4.624 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3F)c2)cc1 20492218 VNJZLTSDYWRHHW-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB Cc1cc(C)nc(S[C@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)n1 26533236 VEMHMRAIDLFAIF-HVHJFMEUSA-N 416.761 4.711 0 40 HJAB CCCc1nnc(S)n1CC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 29122185 NLXDQLFVJLMQPC-UHFFFAOYSA-N 415.588 4.579 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(F)cc3)c2)cc1 30755894 JUOUSYZZARRQDA-UHFFFAOYSA-N 418.877 4.841 0 40 HJAB CCOc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)no2)cc1 32623972 FSIHAFCLOWMRLX-CQSZACIVSA-N 415.877 4.812 0 40 HJAB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)c1cc(=O)[nH]c2ccccc12 32960814 OVFVJNJTWXCIGC-IBGZPJMESA-N 413.502 4.633 0 40 HJAB COc1ccc(NC(=O)COc2ccccc2-c2noc(-c3cccc(F)c3)n2)cc1 33325052 URWHIVGVEUKOAC-UHFFFAOYSA-N 419.412 4.569 0 40 HJAB COC(=O)c1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2cc(C)ccn12 35616092 CNEBRUWDTNOLCV-UHFFFAOYSA-N 400.482 4.906 0 40 HJAB Cc1cc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)c(Cl)cc1Cl 38698789 WWOBOXNFPBLLJW-UHFFFAOYSA-N 413.326 4.620 0 40 HJAB O=C1CC[C@]2(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)Sc3ccccc3N12 40018317 ZTWZCLISFCZDKV-HSZRJFAPSA-N 422.506 4.686 0 40 HJAB Cc1ccc(NC(=O)c2ccc(Oc3ccc(F)cc3Br)nc2)nc1 44906887 KGNLVJYDZQOVNB-UHFFFAOYSA-N 402.223 4.731 0 40 HJAB O=C(NC1CC1)c1cccc(OCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 63455845 UTJMDULPQMMZQU-UHFFFAOYSA-N 404.253 4.515 0 40 HJAB CC(C)[C@@H](C(=O)Nc1ccc(Nc2ccc(F)cc2)c2ccncc12)N1CCCC1=O 72275042 ULOFULVQBAKGFK-QHCPKHFHSA-N 420.488 4.703 0 40 HJAB COc1cc(/C=C/C(=O)Nc2cccc(Nc3cnn(C)c3)c2)ccc1OC(C)C 78968679 BTCHGSAWPWUEAQ-PKNBQFBNSA-N 406.486 4.611 0 40 HJAB O=C(Cc1csc(-c2cc(Br)cs2)n1)N1C[C@H]2CCCC[C@H]2C1 79022415 NWIPXBSKUDTBFN-TXEJJXNPSA-N 411.390 4.825 0 40 HJAB Cc1ccc2cc([C@@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)O)c(Cl)nc2c1 95532175 OGHPEAGNESAFNZ-FQEVSTJZSA-N 421.884 4.739 0 40 HJAB CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccc(C)o3)CC2)Oc2ccccc21 96053469 KUSMOGYYEIQHIE-FQEVSTJZSA-N 410.558 4.747 0 40 HJAB COc1ccc(Cl)cc1C(=O)CSc1nnc2c(n1)[C@]1(C)CC[C@@H]2C1(C)C 100265443 YOBUQUGJWCTUQX-RBZFPXEDSA-N 403.935 4.684 0 40 HJAB Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4cc(C)ccc4C)ccc32)cc1 223374257 CQUAYJFYEGFCIT-UHFFFAOYSA-N 420.534 4.616 0 40 HJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSCc1ccccc1 224643300 UTOYNPSIDGRFEQ-HXUWFJFHSA-N 424.610 4.786 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(CN2CCCCC2)c1 224682814 ZHBIIKMQYPHPSH-QFIPXVFZSA-N 400.950 4.800 0 40 HJAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 224821593 SUZLUWYENVIASE-LJQANCHMSA-N 410.533 4.625 0 40 HJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 225140820 GCBVQASAFPRIJF-OAHLLOKOSA-N 413.905 4.906 0 40 HJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C 225549412 DZNDSIXTYDXREN-URXFXBBRSA-N 408.586 4.876 0 40 HJAB O=C(CCc1ccccc1)N1CCO[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 257224938 FEAXYMIMNSVBCQ-DEOSSOPVSA-N 420.940 4.859 0 40 HJAB COc1ccc([C@@H]2CCCN2c2ncc(C(=O)O)c(CCCc3ccccc3)n2)cc1 257339240 ZAWNCXLZVFJACZ-QHCPKHFHSA-N 417.509 4.700 0 40 HJAB COc1ccc(-c2cc(C)nc(SCC(=O)N3CCCc4ccccc43)n2)cc1 408547019 QKEJZTOAOSASEN-UHFFFAOYSA-N 405.523 4.532 0 40 HJAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1cc(F)c(F)cc1F 521508446 SNAZLYDFQXLOBA-UHFFFAOYSA-N 411.383 4.671 0 40 HJAB CCc1ccc2c(c1)Cc1cccc(c1)CN(Cc1ccccn1)CCOCCO2 643563564 COJYQGXMJAOSGR-UHFFFAOYSA-N 402.538 4.646 0 40 HJAB O=C1C[C@H](SCc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 1095915 HONFGKFGALOECJ-HNNXBMFYSA-N 410.720 4.668 0 40 HJAB Cc1cccc(C)c1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccnc1 1379968 CABBFGZKXPXCEW-QHCPKHFHSA-N 417.509 4.738 0 40 HJAB C[C@@H]1C(=O)N(Cc2ccc(F)cc2)c2ccccc2N1C(=O)c1c(F)cccc1F 1385985 QQXCPFJXDWDZBK-CQSZACIVSA-N 410.395 4.686 0 40 HJAB CCOc1ccc(N2C3=[N+](CCCCC3)[C@@H](C)[C@@]2(O)c2ccc(OCC)cc2)cc1 1823494 KHAGOYMERVMYHY-UQBPGWFLSA-N 409.550 4.523 0 40 HJAB Cc1cc(C)nc(N(C#N)CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)n1 2442885 CCMXSNDVPARLJU-UHFFFAOYSA-N 421.913 4.864 0 40 HJAB CC[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)Cc1cccs1 3625964 MKLKKCFIJALGBZ-JOCHJYFZSA-N 402.560 4.530 0 40 HJAB CCN(CC)CCN(C(=O)c1nc2ccccc2s1)c1nc2ccccc2s1 4585308 SSFLLPWBHKFJPU-UHFFFAOYSA-N 410.568 4.895 0 40 HJAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2 4882533 NJVPMCYQFRGQLC-XSNACQMZSA-N 407.602 4.840 0 40 HJAB Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)c3ccc(F)cc3)nc2s1 5000996 IFVRSEQFTSYXBY-UHFFFAOYSA-N 414.483 4.522 0 40 HJAB CC[C@H](C)OC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 5150820 SDKYYCZGBCJGOB-ZDUSSCGKSA-N 408.889 4.824 0 40 HJAB Cc1c(Cl)cccc1NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O 5304465 ORTAXIJRALFCTB-UHFFFAOYSA-N 403.869 4.659 0 40 HJAB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1cc(Cl)ccc1Cl 6423049 QLHQUIICWZNJOT-UHFFFAOYSA-N 408.310 4.692 0 40 HJAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cc1ccc(-c2ccccc2)cc1 8075489 UXCQUDTYVBBJSE-UHFFFAOYSA-N 422.912 4.655 0 40 HJAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(C(F)(F)F)n2C)c2ccccc2)c1 9390449 SXKBHICWEONHIK-MRXNPFEDSA-N 420.460 4.923 0 40 HJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3c(C)cc(C)cc3C)c2)cc1 10315238 UIGCUWUDRUXFKX-UHFFFAOYSA-N 408.523 4.973 0 40 HJAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1 10516216 ZOZTXXLBFPJSKM-UHFFFAOYSA-N 413.520 4.656 0 40 HJAB Cc1sc(NC(=O)CCNC(=O)c2ccsc2)nc1-c1ccc(Cl)cc1 10543217 CSEMONCVICNFJA-UHFFFAOYSA-N 405.932 4.592 0 40 HJAB COc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)cc3C)c3ccccn23)cc1 12342011 JHSWCDHZUSVQOJ-UHFFFAOYSA-N 413.477 4.630 0 40 HJAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 12567574 LVKKLRKYYAOROG-NHCUHLMSSA-N 417.896 4.644 0 40 HJAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CC=C(c3ccccc3)CC2)cs1 12996010 WOOJVXIXQKIESK-UHFFFAOYSA-N 415.562 4.797 0 40 HJAB Cc1ccc(-n2nc(C)c(NC(=O)c3cnn(-c4ccccc4F)c3C)c2C)cc1 13005468 YNFUIDLYIAOHPI-UHFFFAOYSA-N 403.461 4.683 0 40 HJAB COCc1ccc(C(=O)NCc2ccc(-c3nc(C)ncc3-c3ccccn3)cc2)cc1 13228158 YPGUTWPHOLILSM-UHFFFAOYSA-N 424.504 4.590 0 40 HJAB CC(=O)Nc1ccc(NC(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)cc1Cl 14124217 LOASUSMHWWPWEF-SOFGYWHQSA-N 409.317 4.765 0 40 HJAB C[C@@H](OC(=O)c1cccnc1Sc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1 15127408 QLAJTAHBLUEALX-HZPDHXFCSA-N 424.497 4.795 0 40 HJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc(Br)c1 16227065 XBBOFWPINARSRB-UHFFFAOYSA-N 415.243 4.555 0 40 HJAB COc1ccc(-c2cs/c(=N\C(=O)c3ccccc3)n2-c2ccccc2)cc1OC 16740100 ZMDZTCZKTMFWMR-IZHYLOQSSA-N 416.502 4.964 0 40 HJAB NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)CCC2CCCC2)C1 19348416 OWRQCUOLGMMWSI-DEOSSOPVSA-N 410.583 4.632 0 40 HJAB O=C(CCc1ccccc1)NCCn1ncc(-c2ccncc2)c1-c1ccccc1F 19370938 CEYVOKSFQPXIQQ-UHFFFAOYSA-N 414.484 4.500 0 40 HJAB COc1cccc(CN2CCC(c3noc4nc(C)cc(C(F)(F)F)c34)CC2)c1 19569125 GZDVMEYKIIETBS-UHFFFAOYSA-N 405.420 4.938 0 40 HJAB Cc1c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)sc2nc[nH]c(=O)c12 19717802 XOUCPAOUKQIZSG-UHFFFAOYSA-N 418.503 4.822 0 40 HJAB O=C(C[C@H]1C(=O)N(CCC2=CCCCC2)c2nc3ccccc3n21)Nc1ccccc1 19962047 PEHPQEYCVJNUKN-QFIPXVFZSA-N 414.509 4.843 0 40 HJAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(F)cc2)cc1 20449437 BGRBMDOFMBJYCP-INIZCTEOSA-N 424.497 4.526 0 40 HJAB CC[C@H](C)N(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22257145 SEMVCJZONDKTHD-HNNXBMFYSA-N 419.572 4.911 0 40 HJAB FC(F)(F)c1cccc(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 23273056 YFQLTRNBPGZOCN-UHFFFAOYSA-N 422.838 4.731 0 40 HJAB CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1OCC(F)(F)F 25057247 CIFCSEJIRRSSRP-UHFFFAOYSA-N 401.768 4.501 0 40 HJAB CC(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)cc1 28251330 XCQRWIBSDOKKQO-FQEVSTJZSA-N 423.484 4.877 0 40 HJAB Cc1ccc2c(C)c(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)N3CCOCC3)oc2c1 28292449 KHVYRAGRABQOBA-QHCPKHFHSA-N 420.553 4.976 0 40 HJAB Cc1ccc(F)cc1NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 32578556 PVBVOPFUSPTRQA-UHFFFAOYSA-N 403.413 4.869 0 40 HJAB CCc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)cc1 33089198 XPILTDCKWFZJAC-LBPRGKRZSA-N 411.299 4.696 0 40 HJAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(Cn2cnc3ccccc32)CC1 38536075 RYHLEAADQOVEHD-UHFFFAOYSA-N 402.420 4.999 0 40 HJAB CCOc1ccc(-c2nc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cs2)cc1 40080451 GEXQTRXNSOQYHE-HXUWFJFHSA-N 412.486 4.562 0 40 HJAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)Cc1ccccc1Cl 40111969 PIJYCYHGSFUCMA-ZDUSSCGKSA-N 415.946 4.993 0 40 HJAB CC1(C)C[C@H](NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc2O1 44918365 YPCPQEQKPMZCLM-NRFANRHFSA-N 412.961 4.971 0 40 HJAB COc1ccc(C2=CCN(C(=O)c3cccnc3SCc3cc(C)on3)CC2)cc1 48288776 QYTWOUBXXZMIPD-UHFFFAOYSA-N 421.522 4.608 0 40 HJAB CC(C)OCCCn1c(SCc2cccnc2)nc2cc(Cl)ccc2c1=O 58167147 JYJNQCSQWBSWDD-UHFFFAOYSA-N 403.935 4.552 0 40 HJAB CCOC(=O)[C@@H](NCc1cc(=O)oc2cc(C)ccc12)c1cccc2ccccc12 58217990 RGWXYZOWEBPVLT-DEOSSOPVSA-N 401.462 4.649 0 40 HJAB Cc1cc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n(C)n1 59592847 WUBGBFBHGCFCIU-UHFFFAOYSA-N 419.916 4.507 0 40 HJAB Cc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 64557751 SLTTXWHSCDVFAD-NRFANRHFSA-N 419.502 4.635 0 40 HJAB Cc1nc(NCCc2ccccc2)sc1C(=O)NCc1ccc(OC(C)C)cc1 71326525 SKCPZSUYCDEYDF-UHFFFAOYSA-N 409.555 4.823 0 40 HJAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N1CCN(c2ccccc2)CC1 72328433 LXBWPGCDYZDYHS-UHFFFAOYSA-N 422.960 4.697 0 40 HJAB Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2Cc2cn(C)c3ccc(F)cc23)n1 72372698 QZPVEZWOGWAIHF-QHCPKHFHSA-N 416.504 4.892 0 40 HJAB Cc1ccc(CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 95749066 JLOKXQGKJIXTSW-DEOSSOPVSA-N 415.489 4.920 0 40 HJAB Fc1cc2ncnc(N3CCC(Nc4ccccc4F)CC3)c2cc1Br 96011593 RULCKSNOSOALSO-UHFFFAOYSA-N 419.273 4.751 0 40 HJAB COc1ccc2c(c1)CN(C(=O)Nc1ccc([S@](C)=O)cc1)[C@@H](c1ccccc1)C2 97164720 PEWZCDYAILAHPZ-WVXBCFDCSA-N 420.534 4.764 0 40 HJAB CSc1nnc(C)n1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 107792225 HEZISNQWRSTJKU-VMPITWQZSA-N 409.298 4.659 0 40 HJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@H]1c1ccc2c(c1)OCO2 107814309 ALHNWRDSNRLEAA-FQEVSTJZSA-N 410.495 4.533 0 40 HJAB Cc1ccc(OCCNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 218883440 ZGMLGSQGCWKGGM-UHFFFAOYSA-N 420.347 4.629 0 40 HJAB CCN(c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)S(=O)(=O)CC 222390463 MRWFPIULGTZYEG-UHFFFAOYSA-N 424.522 4.907 0 40 HJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 222604612 UNKARAFJOLYEEU-QFIPXVFZSA-N 414.977 4.831 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 223705425 AUEUJLBSKGYSAG-QHCPKHFHSA-N 408.586 4.611 0 40 HJAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H](C)c3ccccc3)ccc2C)c1 223942412 OMYUOJVFLMLBEM-LJQANCHMSA-N 422.550 4.638 0 40 HJAB O=C(Nc1ccc(F)c(F)c1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224032350 KSKIIJKPBJITRG-UHFFFAOYSA-N 422.840 4.671 0 40 HJAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1ccccc1OC 224574186 ADVXNCGUZJRSTJ-UHFFFAOYSA-N 421.493 4.612 0 40 HJAB Cc1ccc(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 224665795 JBMZKMIAOHJCFJ-GOSISDBHSA-N 412.961 4.667 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)ccc1C 225162287 QDVVNNCBGZVKIO-LJQANCHMSA-N 414.977 4.833 0 40 HJAB CCOC(=O)c1ccc(NC(=S)NCCCSc2ccc(OC)cc2)c(C)c1 225803543 NBQDTTSTGWGPJD-UHFFFAOYSA-N 418.584 4.649 0 40 HJAB O=C(CCc1ccccc1)N1CC[C@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 257200659 AEHBDBJXGZRQKX-SFHVURJKSA-N 409.917 4.591 0 40 HJAB COc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(Cl)cc2)cc1 408699222 SHMRFIPTZGZIMJ-UHFFFAOYSA-N 422.847 4.988 0 40 HJAB CCc1ccc(NC(=O)CSc2nnc(-c3cc4cccc(OC)c4o3)n2C)cc1 409341507 BJZDVNCNEURESU-UHFFFAOYSA-N 422.510 4.530 0 40 HJAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 409374546 SNWXZKXUTLBAFJ-UNOMPAQXSA-N 408.523 4.849 0 40 HJAB CC(=O)N1CCc2c(NC(=O)Cc3sc(C)nc3-c3ccc(C)cc3)cccc21 547426176 ATWGEOGRQRNYLR-UHFFFAOYSA-N 405.523 4.517 0 40 HJAB O=C(c1ccccc1O)N1CC2(CCOCC2)c2cc(-c3ccc(F)cc3)ccc21 585105724 HHEJLZBCWBOWPS-UHFFFAOYSA-N 403.453 4.907 0 40 HJAB CSc1cccc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCSCC2)c1 1565524738 MXCSYLGSHXSSPY-UHFFFAOYSA-N 412.580 4.659 0 40 HJAB Cc1cc(Cl)ccc1OCC(=O)Nc1ncnc2sc3c(c12)C[C@H](C)CC3 751906 GPSZAIULUANNBJ-LLVKDONJSA-N 401.919 4.795 0 40 HJAB Cc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@H]2CCCO2)cc1 1224122 PFDJCFXQYNPKNS-OAQYLSRUSA-N 421.566 4.523 0 40 HJAB CCN(CC)CCn1c(NCc2ccc(Br)cc2)nc2ccccc21 1272714 JJXUHYARRWAZMZ-UHFFFAOYSA-N 401.352 4.753 0 40 HJAB CCCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1-c1cccnc1 1361250 JUWYYZKMLDHHES-UHFFFAOYSA-N 409.559 4.606 0 40 HJAB Cc1ccc2oc(-c3ccccc3)c(OCC(=O)NCCc3ccccc3)c(=O)c2c1 1941721 ZYKWPYOHNDOPDV-UHFFFAOYSA-N 413.473 4.506 0 40 HJAB CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)cc1 2422962 RIEYLSAUGWZTMG-OAQYLSRUSA-N 424.928 4.724 0 40 HJAB O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 2648653 KZTGHNBXSURTGL-CQSZACIVSA-N 421.722 4.593 0 40 HJAB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1cc(Cl)ccc1Cl 3304292 FFSOCXCJGKDZCH-UHFFFAOYSA-N 408.159 4.688 0 40 HJAB CCN(CC)CCN(C(=O)CCOc1ccccc1)c1nc2ccc(F)cc2s1 4359448 DQWVQFNNWTVFON-UHFFFAOYSA-N 415.534 4.579 0 40 HJAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnnn2-c2ccccc2)c2ccccc2)c1 5035174 QSWZIPJSMNZGLP-OAQYLSRUSA-N 415.522 4.751 0 40 HJAB COc1ccc(Br)cc1/C=C1\N=C(C23CC4CC(CC(C4)C2)C3)OC1=O 6400818 SUOXVYUPZMAQRZ-IUXPMGMMSA-N 416.315 4.970 0 40 HJAB CC(=O)c1sc(-c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)cc2)nc1C 7065914 TWBQRYPISGCUJY-NRFANRHFSA-N 420.534 4.894 0 40 HJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)COc1cccc(C)c1)CC2 7408692 RTJNLEHSVMIOIS-XMMPIXPASA-N 423.534 4.627 0 40 HJAB COc1ccc2cc(/C=C(\Cl)c3nc4cc(C(=O)O)ccc4c(=O)[nH]3)ccc2c1 7502958 VDMJXPXTGZMDID-NVMNQCDNSA-N 406.825 4.520 0 40 HJAB COc1cccc(Nc2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)c1 7572462 FJANPTMLIPPULK-UHFFFAOYSA-N 404.470 4.783 0 40 HJAB O=S(=O)(N[C@H](c1ccccc1)c1cccs1)c1cccc(Br)c1 7702146 DJSOAQBSHCJBRN-QGZVFWFLSA-N 408.342 4.579 0 40 HJAB Cc1cccc(CN2CCC(C(=O)NCCSCc3ccc(Cl)cc3)CC2)c1 9063012 DDSOJSFIGSCAGQ-UHFFFAOYSA-N 417.018 4.910 0 40 HJAB c1ccc(-c2nn3c(-c4cnccn4)nnc3s2)c(-c2nc3ccccc3s2)c1 9184578 YMJDXQLFGGPJDM-UHFFFAOYSA-N 413.491 4.587 0 40 HJAB O=C(CSc1ccc2c(c1)CCC2)Nc1cccc(-c2nnc3n2CCCCC3)c1 9377966 FRSALXHQOPBYCX-UHFFFAOYSA-N 418.566 4.891 0 40 HJAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2)cc1OC 9518438 VPSDTTXRHJEVRC-UHFFFAOYSA-N 416.433 4.955 0 40 HJAB O=C(Nc1ccccc1)C1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1 9547497 SAJVDPKZTSMEGT-UHFFFAOYSA-N 414.505 4.610 0 40 HJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(OCc2ccccc2)c1 10218124 JCRNGURXOFNRAR-UHFFFAOYSA-N 411.505 4.783 0 40 HJAB Cc1csc(NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3s2)n1 10584264 FIECLKLXTXSHTF-UHFFFAOYSA-N 409.492 4.524 0 40 HJAB COc1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc(Cl)c1OC 10898874 ZAOCDLJPYKCEAH-UHFFFAOYSA-N 402.922 4.620 0 40 HJAB CC(C)[C@@H](N[C@H](C)C(=O)Nc1ccc(Cl)cc1F)c1ccc2c(c1)OCCO2 11093834 DFYGRVXFOKNUMH-ZUOKHONESA-N 406.885 4.564 0 40 HJAB CC(C)c1cc(C(=O)N2CCC[C@H](c3nc4ccccn4c3NC(C)(C)C)C2)on1 12128089 OFCLVNHACAWTSX-INIZCTEOSA-N 409.534 4.676 0 40 HJAB COc1cc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nc(C)n1 12225273 OYGRIEKKFTWERS-UHFFFAOYSA-N 402.376 4.808 0 40 HJAB O=C(c1ccccc1F)N1N=C(c2cccs2)C[C@H]1c1ccc2nccnc2c1 12422069 MYNGWYUUWGILQE-FQEVSTJZSA-N 402.454 4.822 0 40 HJAB Cc1cccc(O[C@@H](C)C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1 12654011 LVFHTFWBCDTRSX-INIZCTEOSA-N 413.905 4.903 0 40 HJAB Cc1cc(OCCCC(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1Cl 13095725 WVSDYAVJYKXPCG-UHFFFAOYSA-N 400.950 4.773 0 40 HJAB Cc1cccn2c(=O)cc(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)nc12 13117059 QVPRCAHMAZKBHT-GFCCVEGCSA-N 424.551 4.532 0 40 HJAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 13694924 BQJMIDXMKVNELA-UHFFFAOYSA-N 412.898 4.865 0 40 HJAB COc1ccc2c(CC(=O)Nc3nc(SCc4ccccc4)ns3)coc2c1 14168124 KQLXFJAVNLJSTA-UHFFFAOYSA-N 411.508 4.766 0 40 HJAB CCNC(=O)c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c1 14573169 ZIEYSJKKJDHBPD-UHFFFAOYSA-N 416.506 4.603 0 40 HJAB C[C@H](SCc1cc(Cl)c2c(c1)OCO2)c1nc(N)nc(Nc2ccccc2)n1 14703506 CNQZLDBAHOJAKB-NSHDSACASA-N 415.906 4.574 0 40 HJAB Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2ccccc2Cl)cc1 16789148 OHIXMSMGIOBSPJ-UHFFFAOYSA-N 401.919 4.940 0 40 HJAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(I)cn1 17091740 XQKZOSAGYKMXLL-QHHAFSJGSA-N 419.049 4.645 0 40 HJAB Cc1nccn1CCCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 19288127 VYKDYJBYJUKVGM-UHFFFAOYSA-N 409.342 4.965 0 40 HJAB Cc1nc([C@H]2CCN(Cc3cccc(F)c3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19766188 HOUFXFALKASUAZ-KRWDZBQOSA-N 424.907 4.819 0 40 HJAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(OC)cc4)nc3c2)cc1 20610072 ZHZRBBSMPRGIJT-INIZCTEOSA-N 416.481 4.859 0 40 HJAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 22515359 YVOZJNNVXSOESO-UHFFFAOYSA-N 400.887 4.702 0 40 HJAB C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)NC1CCCCCC1 32854548 BGBXSKIVBSZRDR-ZDUSSCGKSA-N 410.634 4.574 0 40 HJAB O=C(Nc1nc(CN2CCCC2)cs1)c1ccccc1OCc1ccc(F)cc1 32978602 BDVILSDVVUJCCP-UHFFFAOYSA-N 411.502 4.709 0 40 HJAB C[C@@H]1CCCN(C(=O)COc2ccccc2-c2noc(-c3cccc(Cl)c3)n2)C1 33325245 CAOMSDKSKBDMEH-OAHLLOKOSA-N 411.889 4.694 0 40 HJAB Cc1ccc(SCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38836633 CXNGCSIBJPAQOL-LJQANCHMSA-N 402.991 4.769 0 40 HJAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)NC(c1ccccc1)c1ccccc1 38943974 NVYFWIWHSRMTSU-UHFFFAOYSA-N 411.505 4.897 0 40 HJAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1Br 39583780 GBSUOAPCTBGWOF-UHFFFAOYSA-N 424.294 4.763 0 40 HJAB Cc1ccccc1OC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 41077664 YUCZLGPJAPRRJP-UHFFFAOYSA-N 405.273 4.505 0 40 HJAB Cc1cc2nc(CSc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)cc(=O)n2o1 41089704 WPFODTVJZYTCPK-UHFFFAOYSA-N 424.457 4.671 0 40 HJAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N1CCCCC[C@@H]1c1ccncc1 49764323 OIZVHXGAEOUOJY-LJQANCHMSA-N 400.906 4.583 0 40 HJAB CC(=O)c1cccc(NC(=O)CN[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1 57362959 RWNOTQZMLUJEFB-HSZRJFAPSA-N 424.447 4.808 0 40 HJAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3C)nc(Sc3ncn[nH]3)n2)c(C)c1 59431838 WVQJBENOFHMUNC-UHFFFAOYSA-N 418.530 4.862 0 40 HJAB Cc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccccc2)CC3=O)cc1Cl 64959078 RXBKFBNSBCTNMF-OAHLLOKOSA-N 406.869 4.502 0 40 HJAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc2c(F)cc(Br)cc2[nH]1 65547388 GQWCPTYSMLUTKB-UHFFFAOYSA-N 417.263 4.840 0 40 HJAB CCCc1nc(CN(Cc2csc(CCC)n2)[C@H](C)Cn2cccn2)cs1 69416794 UUMMRLDMILJQJN-MRXNPFEDSA-N 403.621 4.792 0 40 HJAB Cc1nnsc1C(=O)Nc1nnc(SCc2ccc(Cl)c(Cl)c2)s1 70634958 TYKHQISSDAPUNT-UHFFFAOYSA-N 418.356 4.549 0 40 HJAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 100606832 KCHGDRJDKWKBQG-UFYCRDLUSA-N 424.909 4.761 0 40 HJAB CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220530064 PTWQVPFILQXKHZ-HXUWFJFHSA-N 402.560 4.610 0 40 HJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 223141964 VNWVOYIXMYQDJI-GOSISDBHSA-N 400.950 4.525 0 40 HJAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C 223417535 RVUSRTZKKYHUDH-PKTZIBPZSA-N 420.582 4.701 0 40 HJAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 224326035 ZMEMWBKHAARCGU-QFIPXVFZSA-N 412.961 4.749 0 40 HJAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 224554627 BIPIOAIXNWLRHG-QZTJIDSGSA-N 401.944 4.982 0 40 HJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 224898175 RQOMPIFYDRWXTG-DEOSSOPVSA-N 424.585 4.516 0 40 HJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 225073513 BZVOUXQYPPCKBZ-QFIPXVFZSA-N 412.599 4.811 0 40 HJAB O=C(COc1ccc(Br)cc1Cl)NCc1cccc(C(F)(F)F)c1 225400526 LSJHRRXUIJTDBX-UHFFFAOYSA-N 422.628 4.817 0 40 HJAB Cc1ccc(SCCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)cc1 225497980 KXVZQXFDBVNKDP-FQEVSTJZSA-N 412.599 4.728 0 40 HJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2cccc(C)c2)cc1 225521686 ZZNBEXCYXWIINR-QJOMJCCJSA-N 418.562 4.885 0 40 HJAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1ccccc1Cl 225818775 BVFGRTUUJOETQP-UHFFFAOYSA-N 406.667 4.724 0 40 HJAB CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1C(=O)OCC 225854012 UWGNPXJGQOTEQT-SBUREZEXSA-N 405.535 4.966 0 40 HJAB C[C@H](NC(=S)Nc1nc(Cl)cc(N2CCc3ccccc3C2)n1)c1ccccc1 225964102 IINUBTWMTCNMRX-HNNXBMFYSA-N 423.973 4.740 0 40 HJAB CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 227486251 BZARBMCMBGGJRM-URXFXBBRSA-N 401.466 4.731 0 40 HJAB O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2cccc3cccnc23)CC1 238813620 AXLUICYOMOKWFW-UHFFFAOYSA-N 422.528 5.437 0 40 HJAB O=C1/C(=C\c2ccncc2)N=C(c2ccccc2)N1c1cccc(Br)c1 408840582 CMRBEDFCIHHWRV-CPNJWEJPSA-N 404.267 4.679 0 40 HJAB Cn1c(C(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@H]32)cc2cc(Cl)ccc21 604405223 NWMOKYQHWWBYCK-JYFRSGACSA-N 423.988 4.867 0 40 HJAB biogenic O=C(c1cccc(F)c1)N1CCN(Cc2ccccc2)CCCNc2ccccc2C1 643588925 MLXPDSCFGSAVRM-UHFFFAOYSA-N 417.528 4.786 0 40 HJAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(F)cc4)sc3n2)cc1OC 658843 HFEPZSGHHMBWEX-UHFFFAOYSA-N 423.469 4.954 0 40 HJAB COc1ccc(NC(=O)CSc2nnc(-c3cc(Cl)cc(Cl)c3)n2C)cc1 2523670 OYQOKOAPZCPVID-UHFFFAOYSA-N 423.325 4.528 0 40 HJAB COc1ccc(C2=C[C@H](c3ccc(Cl)cc3Cl)N3N=NNC3=N2)c(OC)c1 2587998 OJXNEVRCZOJPDY-MRXNPFEDSA-N 404.257 4.650 0 40 HJAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 2703558 CVXZTFRIVLCTMI-HSZRJFAPSA-N 411.457 4.590 0 40 HJAB CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1 3220588 YPHDHEKLCYRSCA-UHFFFAOYSA-N 404.495 4.737 0 40 HJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CCc1ccccc1)CC2 3230591 JDYGBTPFYBWHMT-DEOSSOPVSA-N 407.535 4.872 0 40 HJAB CN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 3317809 VDXIPZICOWEHML-UHFFFAOYSA-N 408.571 4.530 0 40 HJAB CN1/C(=c2/sc3nc4ccccc4n3c2=O)Sc2ccc(-c3ccccc3)cc21 4494430 CGIKQCKGRUHPCA-XDOYNYLZSA-N 413.527 4.603 0 40 HJAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1-c1ccc(F)cc1 4851846 CMYLQOXARYMWAX-UHFFFAOYSA-N 408.458 4.706 0 40 HJAB c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4cccnc4)=NN23)cc1 5092125 CQGMVAWMAHVVTL-XMMPIXPASA-N 410.521 4.617 0 40 HJAB O=C(O)c1ccc(-n2c(-c3ccccc3)cs/c2=N\C(=O)c2ccccc2)cc1 5572317 LEXQBIPKFCMISJ-VHXPQNKSSA-N 400.459 4.645 0 40 HJAB CCOc1ccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)cc1OC 6678997 LEOHBXVJNULNFO-YCRPNKLZSA-N 423.538 4.751 0 40 HJAB CCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1 6752938 UXFBXNXJGQDLAB-HSZRJFAPSA-N 405.498 4.916 0 40 HJAB CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 7360405 RIHVYFIELOXPTD-UHFFFAOYSA-N 410.495 4.529 0 40 HJAB COc1cc(CSc2nc3ccccc3c(=O)n2C(C)C)ccc1OC(F)F 7393062 YKSAXDYWOFTCIO-UHFFFAOYSA-N 406.454 4.880 0 40 HJAB Cc1ccn2c(NC(=O)C[C@H]3OC(=O)c4ccccc43)c(-c3cccs3)nc2c1 7987321 GMVDTOGLWTUBIJ-MRXNPFEDSA-N 403.463 4.612 0 40 HJAB CC(=O)N[C@H](CC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12)c1ccccc1 8013264 BVFVZUXNVSPOPU-OAQYLSRUSA-N 412.493 4.516 0 40 HJAB CCc1nnc2sc(-c3cccc(NC(=O)COc4ccc(C(C)C)cc4)c3)nn12 8071513 IEDQVGZOJAUIEV-UHFFFAOYSA-N 421.526 4.556 0 40 HJAB CN(Cc1ccccc1N1CCCC1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 8194065 CUXOVBOYLMRWBO-UHFFFAOYSA-N 424.932 4.581 0 40 HJAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)Cc1cn2ccsc2n1 8279533 YIQIVRCDQMMKDL-UHFFFAOYSA-N 405.523 4.566 0 40 HJAB CC(C)N(C(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C)C(C)C 8886394 UVOJUOHHMMACGD-MJGOQNOKSA-N 415.607 4.829 0 40 HJAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3Br)ccc21 9137177 OWWZAJASULLTNC-UHFFFAOYSA-N 401.304 4.781 0 40 HJAB Fc1ccc(N2CCN(C(=S)c3ccccc3OCc3ccccc3)CC2)cc1 9187990 YLOFYMWRCLFDDZ-UHFFFAOYSA-N 406.526 4.902 0 40 HJAB CC(C)OC(=O)c1ccccc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 9205015 AFNVYYWIZWGBMU-UHFFFAOYSA-N 403.891 4.512 0 40 HJAB O=C(OCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)c1ccc(Cl)nc1 9245118 XHUHRWQTSVGIQW-SFHVURJKSA-N 424.909 4.772 0 40 HJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 9283509 ZDBIQRPGYRNSMU-UHFFFAOYSA-N 424.504 4.628 0 40 HJAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 9553511 JYJZNYBMMGZNNX-GOSISDBHSA-N 406.935 4.546 0 40 HJAB Cc1ccccc1-n1c(C)nnc1SCC(=O)N1CC[C@H](C)Sc2ccccc21 9951597 XYMVQMNFGRLCHU-INIZCTEOSA-N 424.595 4.894 0 40 HJAB O=C(Nc1ccccc1OCC(F)(F)F)C1CCN(C(=O)Nc2ccccc2)CC1 10115670 WCEXNEFCLZXCJV-UHFFFAOYSA-N 421.419 4.510 0 40 HJAB COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)c3cccc(F)c3)nc12 10187664 WSZNTAOEIAQZFG-UHFFFAOYSA-N 423.469 4.695 0 40 HJAB C[C@@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)N[C@@H]1CCCc2ccccc21 10563288 VNMYNGAWEQBGEC-VGOFRKELSA-N 419.477 4.598 0 40 HJAB Cc1ccccc1NC(=O)c1nnn(-c2ccc3noc(-c4ccccc4)c3c2)c1C 11689939 RWYMYONGJBWHAK-UHFFFAOYSA-N 409.449 4.945 0 40 HJAB Cc1ccc(C)c(-c2nc(C)sc2CC(=O)N2CCCC[C@@H]2CN2CCCC2)c1 12238214 AGIAESLKGNUKNU-HXUWFJFHSA-N 411.615 4.755 0 40 HJAB CC(=O)N[C@H](CC(=O)N[C@H](c1ccccc1)c1cccs1)c1ccc(Cl)cc1 12270512 ZWNSVHKBCYVGDS-DENIHFKCSA-N 412.942 4.875 0 40 HJAB COc1ccc(-n2ccc3c(cnc4c(-c5ccc(Cl)cc5)c(C)nn43)c2=O)cc1 12409006 IOOQKQLVJWZZSJ-UHFFFAOYSA-N 416.868 4.671 0 40 HJAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN(CCc1ccccc1)C3 13655712 ZDKRBJPEUCIYRO-UHFFFAOYSA-N 413.473 4.863 0 40 HJAB biogenic Cc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3c3nc4ccccc4s3)n2)cc1 14014851 RWVXMOBMSAIJLE-SFHVURJKSA-N 418.522 4.951 0 40 HJAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 15693577 IMYQSEPBUPDWSQ-INIZCTEOSA-N 414.552 4.657 0 40 HJAB COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccccc2)cc1 15835475 CANIJABCNRJCFR-RUZDIDTESA-N 400.478 4.803 0 40 HJAB CSc1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)c1 15861422 MITHQRQSNMRXSL-UHFFFAOYSA-N 413.568 4.547 0 40 HJAB COc1cccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)c1 16960502 XCGXNRKHLVJWJJ-UHFFFAOYSA-N 400.486 4.558 0 40 HJAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C[C@@H](C)CC(=O)O)c2C(=O)OC)C1 17088320 OCYUETVFUZNGMC-OLZOCXBDSA-N 409.548 4.515 0 40 HJAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(OCC)cc1 18004424 YKONUTZRONZLSC-UHFFFAOYSA-N 409.313 4.883 0 40 HJAB CC(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3Cl)o2)cc1 19928655 QPCYHQLLKIODSH-UHFFFAOYSA-N 422.293 4.977 0 40 HJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 20039743 CCVVFPXQBKXSMD-FQEVSTJZSA-N 400.906 4.762 0 40 HJAB COC(=O)c1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 20459740 CJSPZCMLFBDDJY-UHFFFAOYSA-N 407.491 4.897 0 40 HJAB O=C(CSCc1ccc(F)cc1)Nc1ccccc1C(=O)NCc1ccccc1 20490503 KYAADTXUOFFRDI-UHFFFAOYSA-N 408.498 4.628 0 40 HJAB CC(C)CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2C2CCCCC2)c2ccccc21 20636591 IPLDCDPOZQGWDL-RUZDIDTESA-N 403.526 4.743 0 40 HJAB Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 20766736 BZAXRXSYPMEAPS-UHFFFAOYSA-N 424.497 4.528 0 40 HJAB Cc1ccc(NC(=O)Cn2c3ccccc3n3c(=O)cc(-c4ccccc4)nc23)cc1C 21663735 NLQQYMQOOPPJAX-UHFFFAOYSA-N 422.488 4.572 0 40 HJAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(OC)c1 24160191 KISKVAZXXKQGBG-SNVBAGLBSA-N 402.800 4.815 0 40 HJAB CC(C)n1ncc2cc(NC(=O)c3ccccc3NC(=O)c3cccs3)cnc21 25608999 WVOWKHLGOLVGJH-UHFFFAOYSA-N 405.483 4.578 0 40 HJAB COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc(F)cc2)cc1 28288721 HTBAKDWSXHLESP-RUZDIDTESA-N 418.468 4.942 0 40 HJAB O=C(NCc1ccnc(OC2CCCC2)c1)c1cc(-c2ccncc2)nc2ccccc12 31900068 ILUAWCWQJRUUHL-UHFFFAOYSA-N 424.504 4.943 0 40 HJAB Cc1cc(F)ccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 32579542 UAECSKRMXFSOBM-UHFFFAOYSA-N 419.485 4.508 0 40 HJAB CCOc1cc(CN[C@H](C)C(C)(C)C)ccc1OCC(=O)N[C@H](C)c1ccccc1 36612641 SBADCTQNEPPYJN-RTBURBONSA-N 412.574 4.866 0 40 HJAB COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38834528 RWOUFMFADGDFHG-AWEZNQCLSA-N 421.324 4.631 0 40 HJAB COc1cc([C@H]2CC(O)=Nc3c(C(=O)O)cn(-c4cccc(Cl)c4)c32)ccc1O 40268508 YMXQVGYHBCQMIJ-CQSZACIVSA-N 412.829 4.667 0 40 HJAB O=C(NCc1ccc(N2CCCC2)nc1)Nc1ccc(-c2nc3ccccc3o2)cc1 43931987 IXTCWYHLBNVUPJ-UHFFFAOYSA-N 413.481 4.812 0 40 HJAB O=C(CSCc1c(Cl)cccc1Cl)NCc1ccc(-n2ccnc2)cc1 44847393 LCEIMGMLSVCYRJ-UHFFFAOYSA-N 406.338 4.729 0 40 HJAB COc1cccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CCN(C(C)C)CC2)c1 51329996 QXDDKUIOMHIMJV-QHCPKHFHSA-N 405.542 4.748 0 40 HJAB CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccc(-c2ccc(Br)cc2)o1 58159560 XIIVDNRGGIJBIA-UHFFFAOYSA-N 424.298 4.578 0 40 HJAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc(OC)cc1OC)C3 61997640 AUGJIBHBZBLUGR-UHFFFAOYSA-N 409.482 4.505 0 40 HJAB biogenic CC[C@H]1CCCCN1c1cc(SCC(=O)Nc2cc(Cl)ccc2C)ncn1 67255842 LOBVWCKJSCXOGI-INIZCTEOSA-N 404.967 4.938 0 40 HJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 69507831 MMNTUQJKWONDRR-AWEZNQCLSA-N 414.914 4.982 0 40 HJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2OCc2ccccc2)cc1 72212117 FMIJBGQEISSLSB-HSZRJFAPSA-N 422.550 4.885 0 40 HJAB Cc1sc2nc(C(C)C)n([C@@H]3CCCN(C(=O)C4CCCC4)C3)c(=O)c2c1C 72347720 CKYNRXVOGFKSLJ-QGZVFWFLSA-N 401.576 4.552 0 40 HJAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100413489 YFDZDDQAGGHRQZ-AHRSYUTCSA-N 416.550 4.603 0 40 HJAB Cc1ccc(C(=O)Nc2nc3n(n2)[C@H](c2ccccc2)C=C(c2ccccc2)N3)cc1 101020044 ADKCUORTXGRMET-QFIPXVFZSA-N 407.477 4.895 0 40 HJAB Cc1sc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)nc1-c1ccc(Cl)cc1Cl 102342672 ZYJKAIFSLASNEB-MISXLKTNSA-N 423.321 4.887 0 40 HJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1ccc2ccccc2c1 219036118 YXVFCTGKTGURFY-HNNXBMFYSA-N 407.495 4.767 0 40 HJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCOc3ccc4ccccc4c3)cc2)C1 223618860 PYERJSVMLWECIU-HXUWFJFHSA-N 402.538 4.881 0 40 HJAB Cc1ccc(C)c(N(CC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)c1 223623946 APKMIXUERKDDJA-UHFFFAOYSA-N 422.506 4.608 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 223733728 GYTNMZNGAFEUBI-DEOSSOPVSA-N 408.586 4.878 0 40 HJAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223812995 WZVQFIKBANVJEP-OAQYLSRUSA-N 420.597 4.966 0 40 HJAB CC(C)CSc1nnc(NC(=O)CSCc2c(F)cccc2Cl)s1 224109814 GAYSZEDBOSZUCT-UHFFFAOYSA-N 405.973 4.951 0 40 HJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C)cc3C)cc2C)cc1 224205119 XUYQIYNMLXYYGC-UHFFFAOYSA-N 422.550 4.998 0 40 HJAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 224312842 YBTYOHUTAZBFEE-FQEVSTJZSA-N 418.990 4.766 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 225172303 VVWLLBDYJGFYGJ-IAGOWNOFSA-N 418.990 4.764 0 40 HJAB O=C(Nc1nnc(-c2ccccc2)s1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 225194851 OWTVLWBCEZFDGX-QGZVFWFLSA-N 412.946 4.709 0 40 HJAB Cn1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1 225381939 SGKUPPATJVJYLC-DHIUTWEWSA-N 418.566 4.919 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C 225583619 HSJWJTPNPGALCN-FYYLOGMGSA-N 424.585 4.713 0 40 HJAB CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(Br)c3)nc2c1 226344267 FDEFJAXTSUWPPU-UHFFFAOYSA-N 424.092 4.932 0 40 HJAB CCOc1cc(C(=O)Nc2ccc(OC)cc2OC)cc(Br)c1OCC 408557182 NKLWZMMLNYOOOK-UHFFFAOYSA-N 424.291 4.516 0 40 HJAB CCc1cccc(CC)c1NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 408702347 DKQIRRLIYUSOLK-UHFFFAOYSA-N 416.587 4.613 0 40 HJAB O=C1N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1C1CCCCC1 409086329 DJKFKELKDAKMKB-ATVHPVEESA-N 415.287 4.935 0 40 HJAB COCCN1C(=O)S/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 409210906 HLOUZIALEXULKH-LDADJPATSA-N 403.887 4.602 0 40 HJAB C[C@@H](c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(NS(C)(=O)=O)cc2)no1 547010911 LTEJQEFEJWBDTD-JTQLQIEISA-N 412.298 4.567 0 40 HJAB CCOC1(C)CCN(C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 560708062 YDPUCYZBRYOXSU-UHFFFAOYSA-N 412.477 4.789 0 40 HJAB COc1cccc([C@H](CO)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 679243849 XXRARTWCEJYRLQ-NRFANRHFSA-N 415.411 4.844 0 40 HJAB Cc1cc(CN[C@@H](C)[C@H](O)C(F)(F)F)cc(C)c1OCc1ccccc1Cl 1658414971 GLDSPPWQCOYPLO-LIRRHRJNSA-N 401.856 4.937 0 40 HJAB Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nnc(Br)n1-2 702129 HSICKRDGVHLSMM-UHFFFAOYSA-N 408.086 4.688 0 40 HJAB CCc1ccccc1NC(=O)CSc1nc(-c2cccc(Br)c2)n[nH]1 852495 RNUHKVKSCXTKHG-UHFFFAOYSA-N 417.332 4.527 0 40 HJAB Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1F 919469 OUGJFYLPPFVBNX-CJNGLKHVSA-N 408.355 4.836 0 40 HJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2nc(-c3ccccc3)nc2N1 949446 HSIRKTQTXZOXRC-JOCHJYFZSA-N 407.477 4.873 0 40 HJAB CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@H](C)C2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 983822 UVIDMRLTCLAOKX-SLAGJKONSA-N 411.329 4.989 0 40 HJAB O=C(Nc1ccc(Cl)cc1)c1ccc(CSc2nnnn2-c2ccccc2)cc1 1085561 YAABIJOXXAVVEO-UHFFFAOYSA-N 421.913 4.860 0 40 HJAB CCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 1775076 HUSJXKIRCQKYTP-CYBMUJFWSA-N 402.830 4.959 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 2648514 ZDELWKIIGJZIAJ-UHFFFAOYSA-N 422.550 4.889 0 40 HJAB CCS(=O)(=O)c1ccc2oc(Nc3ccc(OCc4ccccc4)cc3)nc2c1 3303266 USBOWUWFUOLXSX-UHFFFAOYSA-N 408.479 4.944 0 40 HJAB CC(C)c1ccc(NC(=S)N2CCC(n3nnc(-c4cccs4)n3)CC2)cc1 4477345 LZJQZHKPMQWDTK-UHFFFAOYSA-N 412.588 4.559 0 40 HJAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1 4742069 UDPOQQNMNHSUQI-QHCPKHFHSA-N 410.477 4.973 0 40 HJAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)cc1 5007531 XFAHQXMXVQUHES-UHFFFAOYSA-N 416.433 4.955 0 40 HJAB CCOc1ccc(-c2cccc(NC(=O)c3ccc(OCC)c(OCC)c3)c2)nn1 5259649 VFTPLINFDXTSMH-UHFFFAOYSA-N 407.470 4.592 0 40 HJAB C[C@H]1CN2c3ccccc3C(C)(C)[C@]2(/C=C/c2ccc(Br)cc2)NC1=O 5587185 CGYITOVXPZRNNO-DIYDQPSVSA-N 411.343 4.722 0 40 HJAB CCN(CC)C(=O)CCCSc1nnc(-c2ccccc2OC)n1-c1ccccc1 5689585 VLJGQHCJQNVJMI-UHFFFAOYSA-N 424.570 4.684 0 40 HJAB CC(C)[C@H](C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 6049451 NATGEPLGJWFSED-RWENRRORSA-N 403.950 4.708 0 40 HJAB CC(C)c1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 6346980 LQASSCDONNMMJZ-UHFFFAOYSA-N 408.523 4.887 0 40 HJAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N(C)Cc1ccccc1 6531290 OPEYUVPWUVMFHW-KRWDZBQOSA-N 421.566 4.651 0 40 HJAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cc(C)n(CCc3ccccc3)c2C)c1C 6608630 WSGIZTSPKCRWMR-UHFFFAOYSA-N 420.509 4.535 0 40 HJAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nnc(C4CC4)o3)n2)cc1 7288699 IQXOJRMUTYZMBA-LLVKDONJSA-N 400.529 4.752 0 40 HJAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1nc2ccccc2s1 7473318 DXDOLGIBXNMBJW-HAVBXNNZSA-N 411.571 4.592 0 40 HJAB COc1ccc2ccc(OC)c(C[C@H]3SC(=O)N(Cc4ccccc4)C3=O)c2c1 8166481 JSDHBAOIJYNSHV-OAQYLSRUSA-N 407.491 4.664 0 40 HJAB Cc1ccc(C2=NN(c3nc(-c4cccc(O)c4)cs3)[C@@](O)(C(F)(F)F)C2)cc1 8770015 LYNQCUMAOIZJKL-IBGZPJMESA-N 419.428 4.689 0 40 HJAB Cc1nc(-c2cccc(NC(=O)CCN3C(=O)CSc4ccccc43)c2)cs1 9466013 UIRGRSXGSAMGJD-UHFFFAOYSA-N 409.536 4.586 0 40 HJAB COc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)o1 9516329 VYGGPKNXYBZGPD-HNNXBMFYSA-N 423.538 4.594 0 40 HJAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 9836818 LVRLOYAKJPRACA-UHFFFAOYSA-N 420.469 4.685 0 40 HJAB COc1ccc(SCC(=O)Nc2nc3c(Br)cccc3s2)cc1 10219235 SDMTZOAHKOWJCQ-UHFFFAOYSA-N 409.330 4.798 0 40 HJAB COc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)C(C)(C)C)cc1 12322974 COJNWRJYWDTPLG-UHFFFAOYSA-N 406.548 4.512 0 40 HJAB Cc1sc2nc(CN3CCCCC3)nc(Sc3nnc(C4CC4)o3)c2c1C 12813230 NCGWPQYTJXDWPS-UHFFFAOYSA-N 401.561 4.706 0 40 HJAB O=C(Nc1cc(I)ccc1C(F)(F)F)c1ccccc1F 12843129 NAPRMUUPTVKZQQ-UHFFFAOYSA-N 409.120 4.701 0 40 HJAB O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2cccc(Cl)c2)s1 12906317 MPYSWSYZMPEKBK-DHDCSXOGSA-N 408.285 4.998 0 40 HJAB CSCc1nnc(SCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)o1 12944728 LFQJCUGMQSGDHK-GOSISDBHSA-N 419.959 4.584 0 40 HJAB O=C(O)Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccs1 12978173 BUSXDFFFLDRVRU-UHFFFAOYSA-N 400.312 4.690 0 40 HJAB CCOc1cc(Br)c(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OC 14011485 JIPTXECTWDZTBM-XBLUXWHVSA-N 414.321 4.691 0 40 HJAB CCc1cccc(CC)c1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 15960975 HFYNGDYKBMYJCQ-UHFFFAOYSA-N 414.571 4.547 0 40 HJAB CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2Cl)CC1 16681519 KAJLTBXFUNYEBT-BJMVGYQFSA-N 404.341 4.787 0 40 HJAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(C[C@H]2CC=CCC2)C1 19236809 XOXJGZHJMGRMII-FBLLAGFSSA-N 403.570 4.929 0 40 HJAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2ccccc2OC)n1 19525592 OGLRJSIUGUGRCP-NRFANRHFSA-N 416.525 4.867 0 40 HJAB CC(=O)Nc1ccc([C@@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1 19890822 UDVLTCFAIXOIAM-XMMPIXPASA-N 408.461 4.964 0 40 HJAB CSc1nccc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1 20031226 ZGSSHGJLQVNDHP-NRFANRHFSA-N 410.974 4.764 0 40 HJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 20152181 OMOVXFWZRDGGFG-UHFFFAOYSA-N 414.914 4.836 0 40 HJAB Cc1ccccc1-c1noc(-c2nnn(-c3ccc(C(F)(F)F)c(Cl)c3)c2N)n1 20530582 PKKLHBSMCINMCG-UHFFFAOYSA-N 420.782 4.547 0 40 HJAB Cc1cccc(C)c1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 21822120 AQZZTYLXRNAEGI-UHFFFAOYSA-N 413.565 4.649 0 40 HJAB O=C(NC(c1ccccc1)c1ccccc1)C1CCN(c2nc3ccccc3o2)CC1 22013343 BZQWXSAEISNBOY-UHFFFAOYSA-N 411.505 4.950 0 40 HJAB CCN(CC)c1ccc(-c2nnc(SCC(=O)c3ccc(C)s3)n2C)cc1 23296994 WFXVQJVGUXEDKT-UHFFFAOYSA-N 400.573 4.673 0 40 HJAB Cc1cccc(OCCC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1C 24934859 MDKXXANSIQCONI-QFIPXVFZSA-N 403.526 4.511 0 40 HJAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN[C@@H](C)c2cccs2)cc1 24985021 CLALINAOLFWYEJ-HTAPYJJXSA-N 419.550 4.785 0 40 HJAB Cc1ccc(-c2csc(CC3=NC(=O)[C@H](CC(=O)Nc4ccccc4)S3)n2)cc1 25065447 UMJQAITVKIBHLS-SFHVURJKSA-N 421.547 4.730 0 40 HJAB Fc1cc2c(c(CSc3nncn3Cc3ccco3)c1)O[C@H](c1ccccc1)OC2 25078766 UYFFOEWFTQVVJE-OAQYLSRUSA-N 423.469 4.959 0 40 HJAB CC[C@@H](C)NC(=O)C[C@H](c1ccc(OC)cc1)c1cc(Br)ccc1O 27517424 PDNKVTNDTIQLFN-CXAGYDPISA-N 406.320 4.600 0 40 HJAB O=C(Cc1csc(-c2ccccc2Cl)n1)NCc1ccc(Cn2ccnc2)cc1 29027558 KCMSSCUZIJRYCC-UHFFFAOYSA-N 422.941 4.567 0 40 HJAB CCc1ccc(CN(Cc2cccnc2)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 29765838 VDGWHCYLXGHDNF-HSZRJFAPSA-N 406.913 4.830 0 40 HJAB CCn1ncc2c(C(=O)N(Cc3ccccc3)C3CC3)cc(-c3cccs3)nc21 31070558 URGFZPWEXLPOOL-UHFFFAOYSA-N 402.523 4.985 0 40 HJAB Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2F)cc1F 32796346 CSRVOWIRZUHGSS-UHFFFAOYSA-N 410.376 4.507 0 40 HJAB CN(C)c1ccc(NC(=O)c2cc(Br)ccc2F)c(C(F)(F)F)c1 32832481 XGQUYNNGNYJZQG-UHFFFAOYSA-N 405.189 4.925 0 40 HJAB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2cccc(Br)c2)S1 35043372 NMZBBBHZYRZQKN-OVCLIPMQSA-N 417.284 4.538 0 40 HJAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1ccc(N2CCCC2=O)cc1 40117547 OPKHKVZQUDTJRQ-UHFFFAOYSA-N 423.476 4.518 0 40 HJAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1-c1nn2c(C)nnc2s1 57313023 VUUKHNZMWLGCCT-UHFFFAOYSA-N 415.478 4.575 0 40 HJAB O=C(c1ccc(OC2CSC2)cc1)N1CCC2(CC1)CC(c1cccs1)=CO2 72341942 MAJRRSDKGHFMMA-UHFFFAOYSA-N 413.564 4.679 0 40 HJAB O=C(c1cccnc1)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359504 CUHBLPVVWIAQNT-KRWDZBQOSA-N 412.415 4.577 0 40 HJAB COc1cccc(OC)c1CN1CCC[C@H]1c1cccc(Nc2nc(C)cs2)n1 72375505 AZFNNJGWIBDMDH-SFHVURJKSA-N 410.543 4.944 0 40 HJAB Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1NC(=O)[C@H](C)S(C)(=O)=O 79038431 RVPQRIAMBHMZKH-LBPRGKRZSA-N 416.326 4.774 0 40 HJAB O=C(CC1CCCC1)N1CCC2(CC1)C[C@H](CC(=O)N1CCCC1)c1ccccc1O2 96242976 LQQKELGJDUICOD-NRFANRHFSA-N 424.585 4.507 0 40 HJAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C)C=CC[C@H]2C1=O 136688369 LQBMTJCZGXAEID-ZTQAJYAQSA-N 408.885 4.602 0 40 HJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)N4C[C@H](C)O[C@@H](C)C4)cc3)sc2c1 195547072 LPMKVJILDYTVAH-ULQDDVLXSA-N 409.555 4.708 0 40 HJAB C[C@@H]1CN(Cc2ccccc2)C[C@@]1(CC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 219511265 JSZVHFKTUXLNHT-FQRUVTKNSA-N 423.553 4.600 0 40 HJAB COc1ccc(-n2cccc2CNC(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)cc1 222561218 LANVCVJNGOALKG-UHFFFAOYSA-N 422.916 5.000 0 40 HJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223797721 IRGREEDDVYAIDM-QFIPXVFZSA-N 414.977 4.996 0 40 HJAB COc1cc(C)c(S(=O)(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)c(C)c1 224098636 DTQCLHBNYYJCBA-FQEVSTJZSA-N 415.555 4.817 0 40 HJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccccc1OC 224578561 DQNXSWUJFKQYAJ-UHFFFAOYSA-N 421.449 4.654 0 40 HJAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 224743317 QRAMTPWVJVNVMA-HXUWFJFHSA-N 412.599 4.729 0 40 HJAB CCc1ccc(CC)c(CNC(=O)c2ccc(C)cc2I)c1 225033078 QKVZIXCYMUXRDO-UHFFFAOYSA-N 407.295 4.654 0 40 HJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(CC)cc1 225384193 NQJSFIXECAOJCH-XMMPIXPASA-N 424.585 4.524 0 40 HJAB CCOc1ccc(C2(NC(=S)Nc3cccc(C(=O)OC)c3C)CCCC2)cc1 225858896 MJMXVCQCGDZBFR-UHFFFAOYSA-N 412.555 4.936 0 40 HJAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccncc2)CC1 257224985 FEHOTPLPXALJSL-UHFFFAOYSA-N 413.565 4.710 0 40 HJAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257225087 FETIPWAMXIEZOU-LJQANCHMSA-N 415.468 4.973 0 40 HJAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CCCN(Cc3cnn(C)c3C)C2)n1 257303615 SHYFAIWMPJRYPW-GOSISDBHSA-N 410.591 4.628 0 40 HJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 408678863 IRKWANCGQQORCD-HXUWFJFHSA-N 407.341 4.808 0 40 HJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(C)c1 408682310 XCKQHCKXOQVIOE-GOSISDBHSA-N 424.522 4.510 0 40 HJAB Cc1cc(Cl)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 408700465 GMEYZXAUODAWJW-UHFFFAOYSA-N 420.962 4.774 0 40 HJAB COc1cccc2cc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)oc12 408701832 GTBXDAHRKZHANB-UHFFFAOYSA-N 414.461 4.666 0 40 HJAB CCCOc1ccc(N2C[C@@H](C(=O)NC3CCC(C(C)(C)CC)CC3)CC2=O)cc1 408709063 WUZIGQXFMOKPJT-HDYDNRTBSA-N 414.590 4.940 0 40 HJAB CCOC(=O)[C@@H](CC)Sc1nnc(COc2ccccc2C)n1-c1ccccc1 876613 OBCQLCHJQWSVLF-LJQANCHMSA-N 411.527 4.589 0 40 HJAB O=C(O)CCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 1511545 UIZUUVXQIBFHTF-WTNMVAAHSA-N 424.447 4.953 0 40 HJAB Cc1cc(Br)ccc1N1COc2ccc3c(C)c(C)c(=O)oc3c2C1 2120534 IYVCGLYLIXLWHS-UHFFFAOYSA-N 400.272 4.837 0 40 HJAB biogenic COC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC(C)(C)NC2(C)C 4275287 WQVJLZFAXGGFDV-UHFFFAOYSA-N 406.935 4.600 0 40 HJAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)[C@H](O)[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 4292986 RPBAJJRDQPLSHK-AZCYYRPCSA-N 406.607 4.566 0 40 HJAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1 4496192 GKJJSKUWXURUBB-UHFFFAOYSA-N 414.552 4.538 0 40 HJAB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccccc1OC(F)F 4846842 OJKBZCOZGRRYSV-UHFFFAOYSA-N 411.404 4.674 0 40 HJAB CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1ccccc1N1CCOCC1 4849334 LMFYPDJPHYTWHZ-UHFFFAOYSA-N 421.566 4.673 0 40 HJAB COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1OC 4854508 VCEZAXZXFSHXLJ-QHCPKHFHSA-N 405.498 4.759 0 40 HJAB CC(C)c1ccccc1NC(=O)CSc1nc2cc(Br)cnc2[nH]1 5248962 ANGPMBHDUQRNIY-UHFFFAOYSA-N 405.321 4.575 0 40 HJAB O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCN(c2nsc3ccccc23)CC1 5348490 KKZQFOADFWLMQH-CMDGGOBGSA-N 417.456 4.677 0 40 HJAB COc1ccccc1NC(=O)[C@H](C)n1cnc2sc(C)c(-c3ccccc3)c2c1=O 5486097 WGFWFUXKWNJGCN-AWEZNQCLSA-N 419.506 4.642 0 40 HJAB CC(=O)c1sc(NC(=O)COc2cc(C)ccc2Cl)nc1-c1ccccc1 6235227 UFDFSNDUJXJVQV-UHFFFAOYSA-N 400.887 4.992 0 40 HJAB Cc1cc(OCc2ccc(C(=O)NN3Cc4ccccc4C3=N)cc2)ccc1Cl 6683705 IDJSLCDWTFGOMG-UHFFFAOYSA-N 405.885 4.713 0 40 HJAB CCN(CC)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 6869538 CWTKFSWPOMNFJZ-UHFFFAOYSA-N 415.541 4.850 0 40 HJAB COc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4cccc5ccccc45)nc3C2)cc1 7059463 NFEMOVHJNFLYLQ-GOSISDBHSA-N 423.472 4.803 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c1 7193636 XFVIFZIUWBQMIA-UHFFFAOYSA-N 403.891 4.650 0 40 HJAB C[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc2c(c1)OCCO2 7734806 OCBGLKNQPRTJRM-MRXNPFEDSA-N 411.461 4.559 0 40 HJAB O=C1CCSc2ccc(C(=O)Nc3cccc(/C=C/c4ccccn4)c3)cc2N1 7980250 ZGBQTZULEDQYOH-VQHVLOKHSA-N 401.491 4.939 0 40 HJAB O=C(CSc1cc(F)ccc1F)Nc1ccc(-c2nnc3n2CCCCC3)cc1 8132387 QFGSAPAEEUOELZ-UHFFFAOYSA-N 414.481 4.681 0 40 HJAB O=C(COc1ccc(F)c(Cl)c1)N1N=C(c2cccs2)C[C@H]1c1ccco1 8193838 WJVZXWIAGLBVAL-INIZCTEOSA-N 404.850 4.890 0 40 HJAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(C(F)(F)F)c1 8267851 ZZILXYIVMRDGSU-UHFFFAOYSA-N 408.464 4.757 0 40 HJAB COCCNc1nnc(Sc2ncnc3sc(-c4ccccc4)c(C)c23)s1 8272365 YGBHJDCTOZCWEX-UHFFFAOYSA-N 415.569 4.728 0 40 HJAB COc1ccc([C@H]2CCCN2C(=O)c2csc(-c3cccs3)n2)c(OC)c1 8751770 NGNUHHZGTZVQQP-MRXNPFEDSA-N 400.525 4.866 0 40 HJAB CCOc1ccc2[nH]c(S[C@@H](C(=O)Nc3nccs3)c3ccccc3)nc2c1 8813109 AJQKQZYFHOYWRZ-QGZVFWFLSA-N 410.524 4.890 0 40 HJAB CCCC[C@@H](Sc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1)C(=O)O 9324338 SNMYWZVZEOFEPS-LLVKDONJSA-N 400.913 4.571 0 40 HJAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccc(Br)o1 9391576 VDXBGRLGFKWIDJ-UHFFFAOYSA-N 424.707 4.880 0 40 HJAB COc1ccc(OCc2nnc(SCc3csc(C)n3)n2-c2ccccc2)cc1 9593094 FQCMNHIWHNGCPW-UHFFFAOYSA-N 424.551 4.912 0 40 HJAB CSc1ccc(-c2csc(NC(=O)C[C@H](NC(C)=O)c3ccccc3)n2)cc1 9614165 AUADVNUSLRKWAV-SFHVURJKSA-N 411.552 4.738 0 40 HJAB O=C(CCCNC(=O)c1ccc(Cl)cc1)OCc1csc(-c2ccccc2)n1 9910580 MTMGKHMIXHYJOW-UHFFFAOYSA-N 414.914 4.717 0 40 HJAB CCOc1ccc(OCCS[C@@H](C)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 9913137 ZLFCVSLLPFDQED-AWEZNQCLSA-N 409.935 4.887 0 40 HJAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(CN2CCCCC2)cc1 10457000 WZMFPGYISOZRHP-UHFFFAOYSA-N 405.586 4.588 0 40 HJAB CCOc1ccc(CCC2CCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 11053745 DNKSKQBKBNYHFA-SFHVURJKSA-N 405.542 4.728 0 40 HJAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@H](c2nc3ccccn3c2NC(C)(C)C)C1 12088145 YMQSYAKLYFFLLS-KRWDZBQOSA-N 423.561 4.984 0 40 HJAB Cc1cc(OCC(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc(C)c1Cl 12111457 DAXIMLGCIJNFLD-UHFFFAOYSA-N 415.877 4.812 0 40 HJAB CC[C@@H](Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1F)C(=O)OC 12514687 YUBWMIRYZNYGKZ-MRXNPFEDSA-N 405.882 4.771 0 40 HJAB CCN(CC)C(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)N[C@H]1c1ccc(F)cc1 13061548 PPDABIKZBZBVTE-FQEVSTJZSA-N 415.896 4.892 0 40 HJAB O=C(CN(Cc1ccco1)C(=O)Cc1cccc(C(F)(F)F)c1)Nc1ccccc1 14181540 DDMOMCQBSSIRFS-UHFFFAOYSA-N 416.399 4.508 0 40 HJAB Cc1nc(NCc2ccc(N3CCOCC3)nc2)c2c(-c3cccs3)csc2n1 14306836 ZZCUZARVBVQNRU-UHFFFAOYSA-N 423.567 4.572 0 40 HJAB COc1cc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc(OC)c1OC 15674439 IQGMYLAITMBQAE-UHFFFAOYSA-N 421.478 4.636 0 40 HJAB Cc1cc(C)c2c(=O)cc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCC(C)CC3)oc2c1 15860517 WEZDWBWYWZHIHK-IBGZPJMESA-N 422.525 4.514 0 40 HJAB Cc1cccc(C)c1NC(=O)CSc1nccn2nc(-c3ccc(F)cc3)cc12 16841466 LLEOHUWTRGWLKK-UHFFFAOYSA-N 406.486 4.883 0 40 HJAB COc1ccc(-c2nc(N3CCC(C)CC3)nc3c2C(=O)c2ccccc2-3)cc1OC 17090312 POVHLFHYNSBOBW-UHFFFAOYSA-N 415.493 4.609 0 40 HJAB COc1cccc(CN2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)c1 19564871 AKRUZPOZNCMKMX-HSZRJFAPSA-N 421.566 4.535 0 40 HJAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)n1 19691145 AXNDGHJBHHLKBH-UHFFFAOYSA-N 418.516 4.818 0 40 HJAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(OC)cc3OC)sc2c1 20411419 JUHNEDOZDKRJNI-UHFFFAOYSA-N 414.483 4.523 0 40 HJAB CCOc1ccc([C@@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1 20489133 DYUWTAGMPAIBNV-CQSZACIVSA-N 408.361 4.958 0 40 HJAB CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 22484191 NLHOYCQJKRBQGF-NRFANRHFSA-N 418.516 4.548 0 40 HJAB Cc1ccc(Cn2nc(C)c(CNC[C@@H](c3ccco3)N3CCCC3)c2Cl)cc1 22933791 NMTXWADDYUYVSC-NRFANRHFSA-N 412.965 4.721 0 40 HJAB COc1ccc(Cl)cc1CN(C)C(=O)c1sc(NC(=O)c2ccco2)cc1C 25457989 VJVUTBBUBWOWQV-UHFFFAOYSA-N 418.902 4.836 0 40 HJAB COc1ccccc1-c1cc(C[S@@](=O)Cc2coc(-c3ccc(C)cc3)n2)on1 32801526 UYCZNAJBLDJULB-GDLZYMKVSA-N 408.479 4.763 0 40 HJAB CCc1nn2c(=O)cc(CNc3ccccc3Oc3ccccc3Cl)nc2s1 32836299 ZFDAMTMXVAMCHF-UHFFFAOYSA-N 412.902 4.771 0 40 HJAB COc1ccc(-c2noc(CCCC(=O)Nc3cc(Cl)ccc3C)n2)cc1OC 33000159 MDAQSGZUPZNYTG-UHFFFAOYSA-N 415.877 4.677 0 40 HJAB COc1cc(-c2nc3cc(C)ccn3c2Nc2ccc3c(c2)OCO3)cc(OC)c1O 35615863 WWNJTVAHRFPBOK-UHFFFAOYSA-N 419.437 4.505 0 40 HJAB Cc1ccc(-c2nn3c(c2C)N=C(O)C[C@@H]3C(=O)Nc2ccc(F)c(F)c2F)cc1 35684968 CQIKGZYNEVWDEM-OAHLLOKOSA-N 414.387 4.756 0 40 HJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 36874548 KXZNPMASYURBTA-XOBRGWDASA-N 402.416 4.847 0 40 HJAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)sc2c1CCCC2 44849372 PNCWKFMGQIWZKZ-CQSZACIVSA-N 401.528 4.943 0 40 HJAB C[C@@H]1CCc2c(sc3nc(-c4cccnc4)nc(N(C)Cc4ccccn4)c23)C1 48313147 JBQZZBYMDOYHLX-OAHLLOKOSA-N 401.539 4.910 0 40 HJAB CCn1c(S[C@@H](C(=O)N(C)c2ccccc2)C(C)C)nnc1-c1ccccc1OC 48324331 VQZGDWYFKSBYCT-HXUWFJFHSA-N 424.570 4.753 0 40 HJAB O=C(CCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc2c(c1)CCC2 52927717 HBURRIOCYOEXBX-QFIPXVFZSA-N 419.521 4.663 0 40 HJAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1 57991136 FPWQVRCCEBQKJA-LJQANCHMSA-N 422.569 4.742 0 40 HJAB Cn1cc(-c2nc(CSCc3cc(Cl)c4c(c3)OCCCO4)cs2)cn1 64612349 SJRTXKKDTWNKEU-UHFFFAOYSA-N 407.948 4.792 0 40 HJAB c1ccc([C@H]2CCN(Cc3nn4c(-c5cc6ccccc6o5)nnc4s3)C2)cc1 96194456 ZMQRJTHTONOTAN-KRWDZBQOSA-N 401.495 4.589 0 40 HJAB CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CCC2 96401164 WFVNFFFYDVOCOK-SSZFMOIBSA-N 420.896 4.668 0 40 HJAB Cc1ccc(C)c([C@@H]2C[C@H]3C[C@H]2[C@@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)c1 102638583 DVHJAOIKKDPRIM-CARQKBIPSA-N 424.338 4.995 0 40 HJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 223027979 YSTYXFKEQIAZHN-SJORKVTESA-N 418.990 4.764 0 40 HJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 223270793 NEVCCCKVYUWUSI-NRFANRHFSA-N 412.599 4.809 0 40 HJAB Cc1ccccc1CN1CCC(C(=O)NCCOc2ccccc2C(C)(C)C)CC1 223716952 LOMGUGZSHHMGIC-UHFFFAOYSA-N 408.586 4.700 0 40 HJAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC 223729784 MQGIIAFDSZSEFF-FQEVSTJZSA-N 421.368 4.870 0 40 HJAB COc1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cc1OC 225609295 DNGLGOVPRPFFTD-UHFFFAOYSA-N 410.992 4.967 0 40 HJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 225634719 QOEAEVGNOBVMSE-XMSQKQJNSA-N 414.977 4.913 0 40 HJAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCC[C@H](C)C1 225663855 FVDBOKQMDKGUGZ-GBXCKJPGSA-N 402.579 4.865 0 40 HJAB NC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 226334005 LLTCMGWSQMIXOM-QHHAFSJGSA-N 401.087 4.833 0 40 HJAB COc1ccccc1C(=O)N1CCC2(CC1)CO[C@@H]1c3ccccc3OC(C)(C)[C@H]1C2 257211045 BXIADDUFOODGMP-NZQKXSOJSA-N 421.537 4.866 0 40 HJAB Cc1nc([C@H]2CCN(CC3CCCCC3)C2)nc(C)c1CC(=O)Nc1ccccc1F 257287581 PQNSCWRCVAVGLW-FQEVSTJZSA-N 424.564 4.783 0 40 HJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccc(OC)cc3)N21 260780925 RWFVPQPMKPUOHC-XGRCMKMKSA-N 404.539 4.860 0 40 HJAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C1=O 408600907 GYHWKJSKLQIJHW-DTQASYIRSA-N 421.421 4.603 0 40 HJAB Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)c1 409008213 WNWVOKFEGFIPHM-UHFFFAOYSA-N 423.538 4.875 0 40 HJAB COC(=O)c1c(NC(=O)CSCc2cccc(Cl)c2)sc2c1CCCC2 409121891 VNGVEFZZERPPMI-UHFFFAOYSA-N 409.960 4.939 0 40 HJAB