smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1cccc(Cl)c1 2776399 QHBYROGOYFOWLR-UHFFFAOYSA-N 402.859 2.842 10 50 HFCA CC(C)C(=O)N[C@H](C)c1nnc2n1CCN(C/C=C/c1ccc(N(C)C)cc1)CC2 14994918 RAGSRMIGTUCUFJ-IPLHWJFFSA-N 410.566 2.749 10 50 HFCA CS(C)(=O)=CC(=O)[C@H](CSc1ccccc1)NC(=O)OCc1ccccc1 140325884 YDHFBDYMCGOMSW-SFHVURJKSA-N 405.541 2.989 10 50 HFCA Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 4704459 MWQAKTMFZOWULE-UHFFFAOYSA-N 415.833 2.880 10 50 HFCA COc1ccc(CN2CCCC[C@H]2CCn2cc(C(=O)NC(C)C)nn2)c(O)c1 12129823 CSXCATFDOMHWMS-KRWDZBQOSA-N 401.511 2.575 10 50 HFCA CCOC(=O)c1c(CN(C)C)n(C)c2cc(Br)c(O)c(CN(C)C)c12 862742 NLRPAIRWFGHBQA-UHFFFAOYSA-N 412.328 2.946 10 50 HFCA COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 8846776 DMMQKWMXYCRFOG-MFOYZWKCSA-N 424.453 2.980 10 50 HFCA CCCN1C(=O)c2ccc(C(=O)Nc3cc(OC)c(OC)cc3C(=O)O)cc2C1=O 4825382 YFMDSUIXOGSLQB-UHFFFAOYSA-N 412.398 2.660 10 50 HFCA O=S(=O)(c1ccccc1)N1CCN(Cc2cc(Br)ccc2O)CC1 19373661 SKALEENXERQVOF-UHFFFAOYSA-N 411.321 2.661 10 50 HFCA O=S(=O)(Nc1cccc(N2CCC(N[C@H]3CCOC3)CC2)c1)c1ccc(F)cc1 15002946 KKQUKLSAHDEEDK-IBGZPJMESA-N 419.522 2.974 10 50 HFCA CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)N=C(O)N(c2cccc(C)c2)C1=O 1207445 RJLFMNCWMGVXQF-BOFQVRIASA-N 402.410 2.748 10 50 HFCA O=c1c(-c2ccc(Cl)cc2)coc2c(CN3CCN(CCO)CC3)c(O)ccc12 20392990 FYQSUVUWJCYYDI-UHFFFAOYSA-N 414.889 2.929 10 50 HFCA biogenic COC(=O)C[C@@H](c1ccco1)c1c(O)n(CCc2ccc(O)c(O)c2)c(C)cc1=O 409413380 BVFUWLLKYBOXNX-HNNXBMFYSA-N 413.426 2.804 10 50 HFCA CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)o3)C2=O)c1 2968621 AQPOGMODOGSMGK-RVDMUPIBSA-N 413.430 2.809 10 50 HFCA COc1ccc(OCCOc2ccccc2C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 2977970 XLTXQEAQQJGDOQ-UHFFFAOYSA-N 410.426 2.587 10 50 HFCA CN1C(=O)C(=Cc2ccc(OCc3ccc(C(=O)O)cc3)cc2)C(=O)N(C)C1=S 4723877 AAJQQEIMBUJEOR-UHFFFAOYSA-N 410.451 2.563 10 50 HFCA COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1OC 1090150 GCUFVKJZTPFXSN-XNTDXEJSSA-N 401.469 2.645 10 50 HFCA CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H](N(CC)CC)C3)cc2F)CC1 745810130 YBBJQRYVANICIT-LJQANCHMSA-N 405.562 2.593 10 50 HFCA C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)O 2355858 KMSRNEIUMVWFIJ-LKBVRNOZSA-N 414.801 2.858 10 50 HFCA COc1ccc(N2CCN(C(=O)c3cnc4sc5c(n4c3=O)CCCC5)CC2)cc1 10327485 FJRUOARRTBERQC-UHFFFAOYSA-N 424.526 2.606 10 50 HFCA C[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 245236683 VCKVUEVUZHRPNV-KTIHBUSBSA-N 416.433 2.839 10 50 HFCA Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)cc1[N+](=O)[O-] 1176653 PVWTVVXVTYMJHF-UHFFFAOYSA-N 412.471 2.909 10 50 HFCA COc1cc(/C=C2\SC(N(C)c3ccc(O)cc3)=NC2=O)ccc1OCC(=O)O 2691417 CRLDQDHNCBSYMG-YVLHZVERSA-N 414.439 2.971 10 50 HFCA COc1ccc(N2CCN(C(=O)c3cc(F)ccc3OCCCN)[C@@H](C)C2)cc1 426401962 QPDABGAJSOJATP-INIZCTEOSA-N 401.482 2.913 10 50 HFCA CNC(=O)c1cc(S(=O)(=O)NCCc2c(C)n3c4c(cccc24)CCC3)cs1 670465754 SUBUHGUKRRMXQD-UHFFFAOYSA-N 417.556 2.838 10 50 HFCA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(I)o1 1195113 JLNSQYPRELVKLB-DHZHZOJOSA-N 424.219 2.716 10 50 HFCA CCOc1cccc(CN2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c1O 12122143 URSPQZHHHNHCCC-GOSISDBHSA-N 413.522 2.846 10 50 HFCA Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)C(=O)NC2=S)c(C)c1 2979035 ZTORDMOINPMZIK-MPMPPSQCSA-N 424.478 2.987 10 50 HFCA O=C1/C(=C\c2ccccc2Br)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2822737 ADZMRZJMVLEZHT-QVIVLVACSA-N 418.359 2.837 10 50 HFCA COc1cc(N2CCN(CCNC(=O)Nc3ccccc3)CC2)cc(OC)c1OC 16488197 OODAHFYAZDZIEO-UHFFFAOYSA-N 414.506 2.656 10 50 HFCA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)CN4CCCCCC4)C3)CC2)cc1 55245569 DWMVYBVUQBKSTF-JOCHJYFZSA-N 414.594 2.684 10 50 HFCA Cc1cccc(Nc2cc3c([nH][n+](=O)n3CCO)c3c2C(=O)c2ccccc2C3=O)c1 334157425 UZDYQYCVDJJSHU-UHFFFAOYSA-O 415.429 2.704 10 50 HFCA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C1 2356159756 PFIFLWSXILYWKO-HSZRJFAPSA-N 407.518 2.567 10 50 HFCA O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 1206153 OKROLDLJZMWPIE-NTUHNPAUSA-N 415.199 2.844 10 50 HFCA C[C@@H](NC(=O)C(=O)Nc1cccc2[nH]ccc12)c1ccc(N2CCN(C)CC2)cc1 2325734134 SCAZAWXOOJQAMQ-MRXNPFEDSA-N 405.502 2.736 10 50 HFCA COC(=O)C[C@H](c1ccncc1)c1c(O)n(CCc2ccc(O)c(O)c2)c(C)cc1=O 409413399 CGAVJAZZQYWOEY-QGZVFWFLSA-N 424.453 2.606 10 50 HFCA Cc1cccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)C(=O)NC2=S)c1 2968520 BWWGBSWDKXRQKR-VVBXCHJUSA-N 410.451 2.678 10 50 HFCA Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)NC2=S)cc1C 1152963 AAZAJKAXRNLMBG-XSFVSMFZSA-N 421.522 2.971 10 50 HFCA O=C(O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21 4704517 GUKNQTILINBBLV-ZROIWOOFSA-N 407.357 2.531 10 50 HFCA CCOc1ccccc1CN1CCN(Cc2cccc(OC)c2O)C[C@H]1CCO 104440509 YIBUMSAGVNVHJH-HXUWFJFHSA-N 400.519 2.868 10 50 HFCA COc1ccc(/C=C2/C(=O)N(C)C(=S)N(c3ccccc3)C2=O)c(OC)c1OC 1155839 UYWBBSAGTASWBO-QINSGFPZSA-N 412.467 2.886 10 50 HFCA COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O 13775158 BBMQKMLORDHKQF-QPEQYQDCSA-N 402.790 2.729 10 50 HFCA NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3c(Cl)nc4ccccn34)cc2)C1 170648988 WFXLXPIJYYESGC-OAHLLOKOSA-N 411.893 2.619 10 50 HFCA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C1 2356159757 PFIFLWSXILYWKO-QHCPKHFHSA-N 407.518 2.567 10 50 HFCA CCOc1cccc(CN2CCc3nnc([C@H](NC(=O)CC)C(C)C)n3CC2)c1O 11911066 VSDUJVNTOUBEJE-HXUWFJFHSA-N 415.538 2.664 10 50 HFCA COc1ccccc1/C=C1\SC(=S)N(CC(=O)Nc2nnc(C)s2)C1=O 17044865 GAOKEHFOLXVWKZ-GHXNOFRVSA-N 406.514 2.695 10 50 HFCA COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O 4704504 JZFVZEMOBFNPQU-ZSOIEALJSA-N 411.370 2.587 10 50 HFCA CCN1C(=O)/C(=C\c2ccc(OCCN3CCOCC3)c(OC)c2)SC1=S 19850694 FXOJCGZBOHFWRR-GHRIWEEISA-N 408.545 2.627 10 50 HFCA CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(N3CCCC3)cc1)CC2 11787279 JBPYISADGGLVGN-GOSISDBHSA-N 410.566 2.599 10 50 HFCA CN(C)c1ccc(CN2CCN(CC(=O)Nc3ccc4nsnc4c3)CC2)cc1 22752379 NGLOZMMGPNAVFB-UHFFFAOYSA-N 410.547 2.514 10 50 HFCA CCOC(=O)c1ccc(N2NC(=O)/C(=C/C=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 22023141 BTDSTKJOOMZIQO-VDZUBFLMSA-N 407.382 2.789 10 50 HFCA Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O 1131190 IGNZLKDIPLRYDB-XMHGGMMESA-N 407.495 2.663 10 50 HFCA COc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)ccc1OCC(=O)O 223208211 VYKHXNBLTLHVSM-PXNMLYILSA-N 416.480 2.955 10 50 HFCA C[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 169685621 VCKVUEVUZHRPNV-FIXDAVPBSA-N 416.433 2.839 10 50 HFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C(=O)O 2961733 AMXZIJCRTPDPJL-NTEUORMPSA-N 400.774 2.713 10 50 HFCA Cn1c(CNC2CCN(c3ccc4c(c3)OCO4)CC2)cc(=O)n1-c1ccccc1 952881263 ZKHDGMGQKXBBKB-UHFFFAOYSA-N 406.486 2.663 10 50 HFCA Cc1cc(C)c(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)O)cc3)C2=O)c(C)c1 2049286319 IHWAINKISWKVAP-UHFFFAOYSA-N 408.410 2.742 10 50 HFCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccccc1I 9892558 AMRXBWWQWDKVLE-RAXLEYEMSA-N 418.190 2.958 10 50 HFCA CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1 16212251 NABMXGBJXKHHPX-AQTBWJFISA-N 423.425 2.841 10 50 HFCA Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)C(=O)NC2=S)cc1 2814085 MVWVGAHEKKTOHW-VVBXCHJUSA-N 410.451 2.678 10 50 HFCA Cc1ccccc1N1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)O)cc2)C(=O)NC1=S 2983077 FRQCAOQWRLVDTN-XDUBLRSXSA-N 410.451 2.678 10 50 HFCA O=C1NC(=S)N=C(O)/C1=C\c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 4543683 RQEOTCITDGAHRT-UHFFFAOYSA-N 408.439 2.912 10 50 HFCA COc1ccc(N2CCN(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)CC2)cc1 54146966 JZAOPJQCWUGQFJ-UHFFFAOYSA-N 409.469 2.667 10 50 HFCA COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc(OC)c1OC 1197539 OAQNZKFRAMZOLV-OQLLNIDSSA-N 412.467 2.852 10 50 HFCA Cc1nn(-c2ccc(Br)cc2)c(O)c1C=C1C(=O)OC(C)(C)OC1=O 3205342 NLENJKFYOGQRIW-UHFFFAOYSA-N 407.220 2.868 10 50 HFCA Cc1ccccc1N1C(=O)/C(=C/NC[C@@]2(C)C[C@@H](O)CC(C)(C)C2)C(=O)NC1=S 110149795 YSCGFPRCRZYIKV-CPMBLSPHSA-N 415.559 2.794 10 50 HFCA O=C(O)CN1C(=O)/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 16791027 MULZFEMFKDVDGN-ZCXUNETKSA-N 424.503 2.932 10 50 HFCA CN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S 1177471 VXSCQOFVWBGUGZ-MSUUIHNZSA-N 409.492 2.873 10 50 HFCA O=c1oc2c(CN(CCO)CCO)c(O)ccc2cc1-c1nc2ccccc2s1 1155598 JPUPOZFSPRTBRC-UHFFFAOYSA-N 412.467 2.562 10 50 HFCA biogenic COc1cc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1 2892760 BZFHQGGLEUNAKX-YBEGLDIGSA-N 401.419 2.587 10 50 HFCA CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1cc(Br)ccc1O 1203591 NMYZNYMHIKVQDI-AWEZNQCLSA-N 411.277 2.978 10 50 HFCA COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)NCc1ccccc1 13914435 KDJSAWZMZZJQST-YVLHZVERSA-N 414.508 2.879 10 50 HFCA CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccc(OC)c1O 408525813 OCLMCXFEDSEQCR-KRWDZBQOSA-N 417.487 2.860 10 50 HFCA CN1CCN(c2ccc(CNC(=O)CN3C(=O)c4cccc5cccc3c45)cc2)CC1 65365166 OGWVWBORURBUBQ-UHFFFAOYSA-N 414.509 2.868 10 50 HFCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\NCCc3c[nH]c4ccccc34)C2=O)cc1 6000148 BPNYVXALCHOLBM-XMHGGMMESA-N 418.453 2.866 10 50 HFCA COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl 827545 SFXUOXICZDDTPA-SDQBBNPISA-N 400.774 2.744 10 50 HFCA CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(N(CC)CC)cc1)CC2 12161161 DQWBSYWHIMVFML-GOSISDBHSA-N 412.582 2.845 10 50 HFCA Cc1ccccc1-n1c(C)cc(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1C 390832829 RBIWRSZXTJFSTP-MJGOQNOKSA-N 403.548 2.850 10 50 HFCA Cc1cc(/C=C2\C(=O)NC(=S)N=C2O)c(C)n1-c1ccc(N2CCOCC2)cc1 8741348 KPQVFBBYXFORNB-UHFFFAOYSA-N 410.499 2.685 10 50 HFCA COc1ccccc1N1C(=O)NC(=O)/C(=C\c2cnc(-c3ccccc3)nc2)C1=O 3771806 HQPITDNIWWJRJU-LFIBNONCSA-N 400.394 2.819 10 50 HFCA COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccccc1F 657575 WGSWLAMOPAHSCJ-UHFFFAOYSA-N 420.849 2.981 10 50 HFCA Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1N(C)S(C)(=O)=O 67601911 PIQITWZMPXFJHL-UHFFFAOYSA-N 401.532 2.921 10 50 HFCA COc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 16194812 LWEHMBJRAMNNCW-JYRVWZFOSA-N 403.232 2.928 10 50 HFCA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](N=[N+]=[N-])[C@H]1NC(=O)c1ccccc1 257347500 JHQIGYJGIOOGAW-OXMKXFLHSA-N 410.430 2.949 10 50 HFCA CC(/C=C1\SC(=S)N(CCC(=O)N2CCN(C)CC2)C1=O)=C\c1ccccc1 19862673 JQYCAMITICCEPY-BEQKSFQUSA-N 415.584 2.998 10 50 HFCA CCOc1ccc(CN2CCN(Cc3cccc(OC)c3O)C[C@@H]2CCO)cc1 20271245 HMOSTZUVQPYMHZ-FQEVSTJZSA-N 400.519 2.868 10 50 HFCA CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(OC)cc2)CC1 3828610 UDLSEQDYARNKTL-QHCPKHFHSA-N 409.530 2.881 10 50 HFCA investigational Cc1ccccc1N1C(=O)/C(=C/NC[C@]2(C)C[C@H](O)CC(C)(C)C2)C(=O)NC1=S 110149783 YSCGFPRCRZYIKV-UPUZPNAISA-N 415.559 2.794 10 50 HFCA COC(=O)CN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)SC1=S 1213362 MSFIDAOGTXQGGE-BJMVGYQFSA-N 418.290 2.538 10 50 HFCA CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O 2899813 LYTOMTSCDNDJLF-ZSOIEALJSA-N 411.370 2.674 10 50 HFCA CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(N(CC)CC)cc1)CC2 12161165 DQWBSYWHIMVFML-SFHVURJKSA-N 412.582 2.845 10 50 HFCA O=C(O)c1cc(Br)ccc1NS(=O)(=O)c1cccc2nsnc12 715914 ZFMGFZJIHDSKHL-UHFFFAOYSA-N 414.262 2.953 10 50 HFCA CCc1cc(C)cc(OCCOc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)c1 2945935 XIZMQNPINHZAAR-UHFFFAOYSA-N 410.495 2.930 10 50 HFCA COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 4819261 ROSWRMYRDPFTOL-CPNJWEJPSA-N 421.453 2.507 10 50 HFCA CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(OCC)c3)C2=O)cc1 1225728 ZTBTXLPQCKZTNP-WJDWOHSUSA-N 424.409 2.634 10 50 HFCA COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1O 852794 JQGUSWVVXRMHND-LCYFTJDESA-N 417.215 2.830 10 50 HFCA COc1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 660620 AAALDJXKYMVZFK-UHFFFAOYSA-N 411.321 2.969 10 50 HFCA CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(OC)cc3OC)S2)CC1 4755021 FTYBAFLJVAGOFF-GZTJUZNOSA-N 404.488 2.949 10 50 HFCA CN(C)c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1Br 1063117 BVZYEVLCTAOWRA-IZZDOVSWSA-N 401.307 2.801 10 50 HFCA COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)C2=O)cc1 15723039 ZKFYJEMAPLVOJT-ZSOIEALJSA-N 413.342 2.824 10 50 HFCA COc1ccc(N2C(=O)[C@@H]3[C@@H](C(C)=O)N4c5ccc(OC)cc5C=C[C@@H]4[C@@H]3C2=O)cc1 245254636 BMVXYLWZOGBKRZ-CLAROIROSA-N 418.449 2.683 10 50 HFCA COc1ccc(N2CCN(Cc3c(O)occ(CN4CCCCC4)c3=O)CC2)cc1 218539645 AXMYKYFKSXDYQR-UHFFFAOYSA-N 413.518 2.662 10 50 HFCA O=C(O)COc1ccccc1/C=C1/C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)N=C1O 16225728 UVYITSJCMOQOLN-RIYZIHGNSA-N 411.326 2.565 10 50 HFCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(CC(=O)O)c4ccccc34)C2=O)cc1 2365447 GPLGIAWFASZQDT-LICLKQGHSA-N 403.394 2.701 10 50 HFCA Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)O)cc3)C(=O)NC2=S)c1 2049422707 JVWBRFXQMKNNSY-CQSZACIVSA-N 424.478 2.987 10 50 HFCA O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Cl 2971276 BXHBXGLJMWLQKW-AWNIVKPZSA-N 418.764 2.609 10 50 HFCA Cc1nn(C)c(N)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 2325710181 RPZOEHZKCUNGJL-UHFFFAOYSA-N 424.457 2.529 10 50 HFCA C[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccc(N2CCN(C)CC2)cc1 2325702498 YXWMDWMKHBPZDO-GOSISDBHSA-N 404.514 2.631 10 50 HFCA COc1cccc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(C)s3)C2=O)c1 2899230 GCWSOKZVNAMLDM-GHXNOFRVSA-N 406.514 2.695 10 50 HFCA COc1cc(/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)ccc1OC(C)=O 15659760 KPBALWDVDNUOBT-QPEQYQDCSA-N 404.781 2.874 10 50 HFCA C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)C1 65363050 WJHJXTQQGBICKH-DLBZAZTESA-N 407.580 2.772 10 50 HFCA C[C@H](Oc1ccc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc1)C(=O)O 15821992 HSNFDVHQWJDGPX-UXYFDLPDSA-N 424.365 2.774 10 50 HFCA CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(=O)c1ccccc1Cl 1117844 OZKGNTMPXRBIGV-UHFFFAOYSA-N 414.801 2.707 10 50 HFCA O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(Cl)c(C(=O)O)c1 16266044 LRIBVXGKYACWHX-JYRVWZFOSA-N 419.821 2.921 10 50 HFCA COc1ccc(N2CCN(C(=O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)CC2)cc1 1130252 NLJVSDAZKNHKTH-NRFANRHFSA-N 421.497 2.665 10 50 HFCA COc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3cccc(C)c3C)C1=O)OCO2 12363395 ABDYBZXPCVEXTB-AUWJEWJLSA-N 410.451 2.872 10 50 HFCA COc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OC 13381978 HQHKDMJTGXBADS-MLPAPPSSSA-N 403.778 2.727 10 50 HFCA Cc1ccccc1N1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)O)cc2)C(=O)NC1=S 2983079 FRQCAOQWRLVDTN-KWWJGWKXSA-N 410.451 2.678 10 50 HFCA CCOc1cccc(CN2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)c1O 23358684 SQRDJBNJUJWPJE-FQEVSTJZSA-N 400.519 2.868 10 50 HFCA O=C1/C(=C\NCC2CCNCC2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 19771002 KKADUUWMDXHPML-HKWRFOASSA-N 405.458 2.819 10 50 HFCA CC1(C)C[C@H](O)C[C@](C)(CN/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 110149770 LMGUPZRPNJYARL-XLAHTPCYSA-N 419.909 2.974 10 50 HFCA CCOc1ccccc1CN1CCN(Cc2cccc(OC)c2O)C[C@@H]1CCO 19535541 YIBUMSAGVNVHJH-FQEVSTJZSA-N 400.519 2.868 10 50 HFCA O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2 1186321 GPMWGQQAWOXGAQ-AWNIVKPZSA-N 415.199 2.844 10 50 HFCA NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CSc4ccccc4O3)cc2)C1 1875258066 TWMNREWYNXJMJI-QFBILLFUSA-N 411.527 2.558 10 50 HFCA COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cccc(F)c1 1177651 BHIQDXPKCGIDPC-UHFFFAOYSA-N 404.781 2.816 10 50 HFCA COc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\SC(=S)NC2=O)cc1 16193177 WTPLFEQDGVUDCH-GDNBJRDFSA-N 407.494 2.952 10 50 HFCA CN1CCN(CC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1 19362767 XAIGSITYMYBCRW-ATVHPVEESA-N 423.991 2.748 10 50 HFCA COC(=O)C[C@@H](c1cccnc1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O 253414645 YBSHRMXYOKPRBB-KRWDZBQOSA-N 424.453 2.606 10 50 HFCA biogenic COc1cc(Cl)cc([C@H]2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)c1O 1147936 RJGINOAWQKSZOO-QGZVFWFLSA-N 401.850 2.999 10 50 HFCA CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)NC3=NCCS3)C2=O)cc1 1792674 GSOASKWGVKLGQM-KAMYIIQDSA-N 421.569 2.896 10 50 HFCA Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1cccc(I)c1 1164771 IQBDEQCLKVOAGP-VGOFMYFVSA-N 407.211 2.879 10 50 HFCA Cc1nc(-c2ccccn2)cc(=NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)[nH]1 1875255337 FGFSPVVCFVRIES-SFHVURJKSA-N 402.502 2.583 10 50 HFCA O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(I)cc1 858329 AEIBWCQJULIXIU-FMIVXFBMSA-N 400.241 2.594 10 50 HFCA COc1ccc(CN2C(=O)NC(=O)/C(=C\c3cnn(-c4ccccc4)c3)C2=O)cc1 5744610 IEALNOCGORDICK-YBFXNURJSA-N 402.410 2.543 10 50 HFCA CN(C)c1ccc(CN2CCN(CC(=O)Nc3cccc4nsnc34)CC2)cc1 22752383 BNLVUGOKTZMUQH-UHFFFAOYSA-N 410.547 2.514 10 50 HFCA CCOc1cccc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)c1O 95509606 QVBMTWUONYBQMR-OAQYLSRUSA-N 405.583 2.532 10 50 HFCA COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc1ccccc1 2120073 CHWNRMCKWGOVGS-UHFFFAOYSA-N 410.426 2.587 10 50 HFCA O=C(NN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)c1cccc([N+](=O)[O-])c1 13465300 JTOBIXHGVZBYBU-ZSOIEALJSA-N 401.425 2.847 10 50 HFCA COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)C(=O)N=C2O)c1 8919171 XYHFPHPBHDRPSH-FLIBITNWSA-N 403.372 2.544 10 50 HFCA O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(F)cc1 15724078 ZRKRVAQCQVOWOS-ZROIWOOFSA-N 408.170 2.892 10 50 HFCA CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1cc(C)ccc1C 2977189 TXTMMYLGMSKCJT-UHFFFAOYSA-N 424.453 2.909 10 50 HFCA COc1cc([C@@H](c2cc3c(cc2O)OCO3)N2CCOCC2)cc(OC)c1OC 19908713 MDTSGAWUGIJIMV-FQEVSTJZSA-N 403.431 2.568 10 50 HFCA Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(Br)cc1F 1160652 LRQULUJBFVKFOW-UHFFFAOYSA-N 422.279 2.910 10 50 HFCA CN(C)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 7243756 RYJYYYOVKJYJSO-INIZCTEOSA-N 407.561 2.531 10 50 HFCA CCOc1cc(/C=C2/SC(=S)NC2=O)cc(I)c1O 994429 VDECGHQPSPIHBS-WEVVVXLNSA-N 407.254 2.884 10 50 HFCA CCn1cc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cn1 17092266 KHJJTHCOTDECSN-UHFFFAOYSA-N 420.516 2.813 10 50 HFCA CC1(C)C[C@H](O)C[C@@](C)(CN/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 105872027 LMGUPZRPNJYARL-WNQRHOJOSA-N 419.909 2.974 10 50 HFCA CN(C)c1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2N2CCOCC2)cc1 18206739 RUDKMYZVMSRQMB-HKWRFOASSA-N 421.457 2.737 10 50 HFCA Cc1ccc(N2C(=O)CN(c3ccc(OC(C)C)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 1875265423 LQHWYZHMYKQYLD-SFTDATJTSA-N 414.527 2.801 10 50 HFCA CC(=O)Nc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 5852198 PYLRETOMBMFRRQ-UHFFFAOYSA-N 407.517 2.875 10 50 HFCA CCn1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c(=O)c2ccc(C)nc21 12324935 NZTKHKIQLCVCEC-UHFFFAOYSA-N 406.486 2.696 10 50 HFCA COc1cc(/N=N/c2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)cc(OC)c1O 2325904064 SEIXCIABWLTGMR-KGHZBTQCSA-N 424.413 2.586 10 50 HFCA NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/C=C/c3ccco3)C2=O)cc1 5896579 AKAZSHALSLTKBJ-NQDFZQDQSA-N 411.361 2.832 10 50 HFCA Cc1cccc(N2C(=O)/C(=C\NN3CCCC[C@H]3c3cccnc3)C(=O)NC2=S)c1 252679132 IHVQZUIHIRKOCA-BSKAQADGSA-N 421.526 2.753 10 50 HFCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(I)o3)C2=O)cc1 667135 HIBMYXMIZPFFJY-XYOKQWHBSA-N 422.178 2.859 10 50 HFCA O=C(NN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S)c1ccc([N+](=O)[O-])cc1 2285294 WHIGFMGDZUQFMR-NTEUORMPSA-N 401.425 2.847 10 50 HFCA CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(F)cc1 1062128 IAMRSSAJXVADRC-UHFFFAOYSA-N 400.431 2.718 10 50 HFCA COc1ccc(OC)c(CN2C(=O)NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=O)c1 5043935 ICYWGDBIGONTMX-LICLKQGHSA-N 405.410 2.847 10 50 HFCA O=C1N=C(O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccc(F)cc1 15659286 OXQVHAFMICJWQS-ACAGNQJTSA-N 413.317 2.965 10 50 HFCA O=C1CN(C2CCN(c3ccc4c(c3)OCO4)CC2)CCN1CCc1ccccc1 1506429202 SMEDHTNBNNOZLJ-UHFFFAOYSA-N 407.514 2.771 10 50 HFCA CCOc1cccc(CN2CCN(Cc3cccc(OC)c3)[C@H](CCO)C2)c1O 39485840 SQRDJBNJUJWPJE-HXUWFJFHSA-N 400.519 2.868 10 50 HFCA CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 2973237 IEKHRYFZNCLADE-XDHOZWIPSA-N 422.437 2.912 10 50 HFCA O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 1162046 XPYMSDSEDJGZCH-MDWZMJQESA-N 401.216 2.817 10 50 HFCA CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(N3CCCC3)cc1)CC2 11787281 JBPYISADGGLVGN-SFHVURJKSA-N 410.566 2.599 10 50 HFCA COC(=O)C[C@@H](c1cccnc1)c1c(O)n(CCc2ccc(O)c(O)c2)c(C)cc1=O 409414127 OOFUNERILNKLGR-KRWDZBQOSA-N 424.453 2.606 10 50 HFCA CC(=O)N1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21 2451144 GEJDJQUOSYPYEE-NXVVXOECSA-N 418.496 2.796 10 50 HFCA COc1ccc(N2CCN(C[C@H](O)COc3ccc4c(C)cc(=O)oc4c3)CC2)cc1 19909157 QHJJVSMNDRYADP-IBGZPJMESA-N 424.497 2.672 10 50 HFCA COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=Cc4cc(OC)ccc4N2[C@H]3C(C)=O)cc1 245254637 BMVXYLWZOGBKRZ-CMOCDZPBSA-N 418.449 2.683 10 50 HFCA O=C1NC(=S)NC(=O)C1=Cc1cccc(OCc2ccc(Br)cc2)c1 1177635 CSJYCWOGYNSGJD-UHFFFAOYSA-N 417.284 2.942 10 50 HFCA COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1 1184207 RGYNCQTYKPZVRJ-GZTJUZNOSA-N 410.426 2.996 10 50 HFCA CN(C)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1 4116638 XNCQGBUYALYWMM-GJYPPUQNSA-N 407.392 2.857 10 50 HFCA COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(=O)c1cccc2ccccc12 15769044 UGRTYGHJVNCHEE-UHFFFAOYSA-N 416.389 2.817 10 50 HFCA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O 4687993 MHPGUCGIUPJYQJ-YXHQGMJNSA-N 420.487 2.902 10 50 HFCA COc1cc(/C=C2/SC(=S)N(CC(=O)NC(C)(C)C)C2=O)cc(OC)c1OC 12381462 PUSFNTOMRNQRGO-NTEUORMPSA-N 424.544 2.828 10 50 HFCA Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cn(C)nc3C)cc2)cc1 17092269 IQYRLPVYKGDYFT-UHFFFAOYSA-N 420.516 2.639 10 50 HFCA CC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 251748291 ADKVKIACXGVOPH-OPOADAIRSA-N 414.845 2.729 10 50 HFCA COC(=O)C[C@@H](c1ccncc1)c1c(O)n(CCc2ccc(O)c(O)c2)c(C)cc1=O 409413398 CGAVJAZZQYWOEY-KRWDZBQOSA-N 424.453 2.606 10 50 HFCA COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OCc1ccc(Cl)cc1 1220864 DNPJYOFEMPKBTR-UHFFFAOYSA-N 402.859 2.842 10 50 HFCA COc1ccc(N2CCN(Cc3nc(N)nc(Nc4ccc(C)cc4)n3)CC2)cc1 8969776 DYVFNFKNWDFDPM-UHFFFAOYSA-N 405.506 2.837 10 50 HFCA Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 1101008 UDOZZFJPASXCKO-UHFFFAOYSA-N 411.483 2.699 10 50 HFCA CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(OC)c(OC)c3)S2)CC1 1123148 CUKKELNXCYIUHX-ATVHPVEESA-N 404.488 2.949 10 50 HFCA CCOC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 2735713 OCXIDHPSHHSQOK-LDADJPATSA-N 422.437 2.912 10 50 HFCA COc1ccc(O)c(CN2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c1 20994346 USPZOFLTFIERSO-FQEVSTJZSA-N 400.519 2.787 10 50 HFCA CS(=O)(=O)N1CCCC[C@H]1CCNC1CCN(c2ccc3c(c2)CCC3)CC1 1506414952 UWVPQQQKEFIPGE-NRFANRHFSA-N 405.608 2.938 10 50 HFCA COc1ccc(N2CCN([C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)cc1 55384239 LGQJVOBUIAYCBW-HXUWFJFHSA-N 415.559 2.671 10 50 HFCA O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 11667809 KKYSKKCFUPNREB-OAQYLSRUSA-N 413.562 2.958 10 50 HFCA O=C(O)COc1ccccc1/C=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)N=C1O 16225927 XRYAKJJVIVQYDU-NTEUORMPSA-N 411.326 2.565 10 50 HFCA O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Br)cc2)cc1 1220894 IZPKBOCWCKUXSY-UHFFFAOYSA-N 417.284 2.942 10 50 HFCA COc1cc(N/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(OC)c1 2892873 LCQTWCXYDRCVRJ-UVTDQMKNSA-N 401.419 2.587 10 50 HFCA CN1C2=S=C(C(=O)CSc3nc4ccccc4n3C)C(=O)N2c2ccccc21 334158906 FNWXEBADDMHCDG-UHFFFAOYSA-N 408.508 2.724 10 50 HFCA COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)cc1 170634680 ZMXCMYWQKBJVJK-ZFWWWQNUSA-N 404.488 2.791 10 50 HFCA COC(=O)C[C@@H](c1ccco1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O 253408660 KYOSAQNSPQKDQA-HNNXBMFYSA-N 413.426 2.804 10 50 HFCA biogenic CCCCN1C(=O)/C(=C/c2c(NCCOC)nc3ccccn3c2=O)SC1=S 1832595 AXXSZQBFPOBERV-OWBHPGMISA-N 418.544 2.754 10 50 HFCA CN(C)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 8170939 TVAHGURESOCRKW-UHFFFAOYSA-N 407.561 2.531 10 50 HFCA C[C@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)O 2355855 KMSRNEIUMVWFIJ-UJFYRASASA-N 414.801 2.858 10 50 HFCA COc1ccc(OC)c(N2C(=O)/C(=C\Nc3ccc(F)cc3)C(=O)NC2=S)c1 16662461 HMXRHBYPDYWJBF-UVTDQMKNSA-N 401.419 2.587 10 50 HFCA O=C1CC[C@@H](CN(Cc2ccncc2)C2CCN(c3ccc4c(c3)OCO4)CC2)N1 952871688 BGNGRULZEAZSIU-SFHVURJKSA-N 408.502 2.560 10 50 HFCA CCc1cc2c(=O)c(-c3nc(C)cs3)c(N)oc2c(CN2CCOCC2)c1O 20109733 ADFCHBPBOZLRJG-UHFFFAOYSA-N 401.488 2.907 10 50 HFCA COc1cccc(CN2CCCC[C@@H]2CCn2cc(C(=O)NC(C)C)nn2)c1O 12217473 CVIDWYUACGRWNZ-QGZVFWFLSA-N 401.511 2.575 10 50 HFCA CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 71376269 LKXZQVHGRMOXTF-OAHLLOKOSA-N 403.504 2.521 10 50 HFCA O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 4725074 FOARFFYUNLVJIT-KPKJPENVSA-N 403.188 2.527 10 50 HFCA COC(=O)c1ccc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1 13765234 MPAJEDFRQNXYTD-WJDWOHSUSA-N 412.492 2.948 10 50 HFCA CCOc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)c1O 14968014 XBYCILXGEYLACN-SFHVURJKSA-N 415.538 2.664 10 50 HFCA C[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 245236684 VCKVUEVUZHRPNV-ZSTWQFLISA-N 416.433 2.839 10 50 HFCA CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)C[C@H](C(C)C)OC3 13152784 BPYATQKIMLKCMF-CQSZACIVSA-N 405.520 2.989 10 50 HFCA O=C(NN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)c1ccc([N+](=O)[O-])cc1 16669681 MVHYQLOCWPWQGJ-ZROIWOOFSA-N 401.425 2.847 10 50 HFCA COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21 13401633 QOROCAAFFQGSDW-XNTDXEJSSA-N 421.384 2.620 10 50 HFCA COc1ccc(N2CC3(CN(C(=O)c4cnc(N5CCCCC5)nc4C)C3)C2)cc1 2100539701 UZYCLNQUYNOPKZ-UHFFFAOYSA-N 407.518 2.746 10 50 HFCA CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccccc1F 1193433 AWQWYVZOFFCZMZ-UHFFFAOYSA-N 400.431 2.718 10 50 HFCA C[C@@H](Oc1ccc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc1)C(=O)O 15821988 HSNFDVHQWJDGPX-OXFWXOROSA-N 424.365 2.774 10 50 HFCA COc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1 15836443 IJPNKMFOICUYRX-GDNBJRDFSA-N 407.494 2.952 10 50 HFCA COc1ccc(CN2CCN(Cc3cccc(OC)c3O)C[C@@H]2CCO)cc1C 19635260 PPLDIYHHAVFGHL-FQEVSTJZSA-N 400.519 2.787 10 50 HFCA CN1C(=O)/C(=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c2ccccc21 1788196 ZACNBIUZPVXNBM-KSPIOAOGSA-N 424.503 2.930 10 50 HFCA COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3O)C2=O)ccc1O 13688462 GXHQBKKAOSIHSE-DHDCSXOGSA-N 402.453 2.653 10 50 HFCA COCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O 1764852 GWNLHWNVDDBTNC-KAMYIIQDSA-N 418.544 2.753 10 50 HFCA CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OS(C)(=O)=O 16192834 UBFQAHMEGGJPBS-XFFZJAGNSA-N 407.922 2.908 10 50 HFCA COCCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1C 2385851 FGIXDPDMWOAIOZ-GZTJUZNOSA-N 401.463 2.722 10 50 HFCA CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O 4457166 ZMUKRSJITNMBHD-MHWRWJLKSA-N 405.501 2.798 10 50 HFCA COc1ccc(N2CCN(CC(=O)Nc3ccc(Br)cn3)CC2)cc1 55058980 BDVVBTMMVVWPFR-UHFFFAOYSA-N 405.296 2.613 10 50 HFCA CCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21 1002916 BRFLYMCWUYDJKY-NXVVXOECSA-N 409.492 2.970 10 50 HFCA COc1ccc(CN2C(=O)NC(=O)/C(=C\c3cnc(-c4ccccc4)nc3)C2=O)cc1 1182789 MJXBOQWHDULJEU-YBFXNURJSA-N 414.421 2.814 10 50 HFCA COc1cc(CCN2CCN(c3ccc4c(c3)OCO4)CC2)cc(OC)c1OC 2572960 CPEAMOBRKUISHP-UHFFFAOYSA-N 400.475 2.806 10 50 HFCA CCOc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)c1O 14968010 XBYCILXGEYLACN-GOSISDBHSA-N 415.538 2.664 10 50 HFCA COC(=O)c1cn(C[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc2c(=O)[nH]nc1-2 263588190 QEYNEMMYOBSPMQ-HXUWFJFHSA-N 423.517 2.756 10 50 HFCA CCOc1cccc(N2C(=O)/C(=C/c3ccc(OC)cc3OC)C(=O)NC2=S)c1 1203287 XYOVZPBSAMBUEV-LICLKQGHSA-N 412.467 2.934 10 50 HFCA COc1cc(Br)cc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1O 5010363 LNYMBHWYRVTNPE-OLZOCXBDSA-N 405.292 2.944 10 50 HFCA CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc([N+](=O)[O-])c2O)NC(=S)N1 35352871 GTWOYUOZWVRTRY-HNNXBMFYSA-N 402.407 2.871 10 50 HFCA CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 100149904 RJLFMNCWMGVXQF-YPOUMIDOSA-N 402.410 2.543 10 50 HFCA CCOc1cccc(CN2CCC3(CC[C@@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c1O 14879917 NVRDWFZHKXBRBK-AZUAARDMSA-N 418.534 2.600 10 50 HFCA COCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CC(C)C)C1=O 33344416 KPKNHDVZROIFDO-GXDHUFHOSA-N 418.544 2.610 10 50 HFCA Cc1ccccc1N1C(=O)NC(=O)C(=CNN2CCCC[C@@H]2c2cccnc2)C1=O 2049432906 CIYJBNZKEXNPPH-LJQANCHMSA-N 405.458 2.589 10 50 HFCA COc1cc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)ccc1O 16677565 CRWDNQXTFWLAEF-YBEGLDIGSA-N 400.481 2.876 10 50 HFCA Cc1cc([N+](=O)[O-])cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)c1O 15836311 QZRZVROOVJLPFM-ZSOIEALJSA-N 418.203 2.833 10 50 HFCA CCOC(=O)CCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 4808566 CSXPKESEKCPDMM-GXDHUFHOSA-N 411.501 2.867 10 50 HFCA COc1ccccc1C(=O)Nc1cccc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 14982418 HHEGULPPCBXXRQ-NRFANRHFSA-N 422.529 2.866 10 50 HFCA CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3cc(OC)ccc3OC)S2)CC1 4754805 YQOOSAMUEFOZMU-SFQUDFHCSA-N 404.488 2.949 10 50 HFCA CCOc1cccc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c1O 22925941 QVBMTWUONYBQMR-NRFANRHFSA-N 405.583 2.532 10 50 HFCA CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 1214009 DJZLDKLLKKXKPX-LDADJPATSA-N 408.410 2.603 10 50 HFCA Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C)C3=O)c(N3CCCCC3)nc12 1057724 QIQNJJXGQFABPW-SDNWHVSQSA-N 400.529 2.824 10 50 HFCA COCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)O)cc2C1=O 2863072 PBKPMZXQLQVHLA-UHFFFAOYSA-N 402.790 2.533 10 50 HFCA O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1O 852845 ARFAMIINIAMWIC-MDWZMJQESA-N 403.257 2.986 10 50 HFCA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1 951722 VDMYBMZYVVGDKM-OAQYLSRUSA-N 407.470 2.895 10 50 HFCA CN(C)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1 715241 XNCQGBUYALYWMM-JTDSTZFVSA-N 407.392 2.857 10 50 HFCA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)/C=C/c4ccncc4)C3)CC2)cc1 67909850 HRZHBEAEYWVXOG-LQPWBEKMSA-N 406.530 2.917 10 50 HFCA COc1ccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4C)n3)CC2)cc1 16046209 RHUJTVAUAXLACK-UHFFFAOYSA-N 405.506 2.837 10 50 HFCA CCCCC1=NN2C(=N)/C(=C/c3ccc(OS(C)(=O)=O)cc3)C(=O)N=C2S1 4725432 KDLWBRBMZGIRJW-JADYNCEHSA-N 406.489 2.834 10 50 HFCA COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)cc1 170634682 ZMXCMYWQKBJVJK-UKRRQHHQSA-N 404.488 2.791 10 50 HFCA COc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 4740976 GMCIQVGCIBHXNR-UHFFFAOYSA-N 411.867 2.768 10 50 HFCA CS(=O)(=O)N1CCCC[C@@H]1CCNC1CCN(c2ccc3c(c2)CCC3)CC1 1506414966 UWVPQQQKEFIPGE-OAQYLSRUSA-N 405.608 2.938 10 50 HFCA Cc1cc(C(=O)NCc2cnc(N(C)C)nc2)c(C)n1-c1ccc2c(c1)OCCO2 2325880124 VGXRIFCAPOJJHG-UHFFFAOYSA-N 407.474 2.651 10 50 HFCA CCOc1cccc(CN2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c1O 14879916 NVRDWFZHKXBRBK-QUCCMNQESA-N 418.534 2.600 10 50 HFCA Oc1ccccc1CN1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20998525 RDZWGTGTUFYKHN-OAQYLSRUSA-N 409.530 2.903 10 50 HFCA Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)C2=O)cc1 5042556 GPXWZDKQFVGHCG-WQRHYEAKSA-N 413.389 2.600 10 50 HFCA CN1CCN(c2ccc(CNC(=O)C3CCN(Cc4ccccc4)CC3)cc2)CC1 67601932 KDGLNKUPYKYEPD-UHFFFAOYSA-N 406.574 2.967 10 50 HFCA CN1C(=O)C(=Cc2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)N(C)C1=S 4723857 YBLRXXRZNAPCRI-UHFFFAOYSA-N 410.451 2.563 10 50 HFCA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)C2=O)c1 2982932 ARUXVSYIRBTWIW-RIYZIHGNSA-N 414.801 2.778 10 50 HFCA O=C1NC(=S)S/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 22185140 ZASGFBMVJZMFGS-UKTHLTGXSA-N 422.465 2.851 10 50 HFCA COc1ccccc1N1C(=O)N=C(O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O 15798866 BDJAFODVUOPTJQ-XFFZJAGNSA-N 413.342 2.824 10 50 HFCA COC(=O)c1cc(C)sc1NC(=O)CN1CCN(c2ccc(OC)cc2)CC1 35800857 HXFJSPSFOFFKCO-UHFFFAOYSA-N 403.504 2.612 10 50 HFCA COC(=O)C[C@H](c1ccco1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O 253408664 KYOSAQNSPQKDQA-OAHLLOKOSA-N 413.426 2.804 10 50 HFCA biogenic O=C(Nc1ccc(O)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 4258186 WOSAEAWJXZPTOA-UHFFFAOYSA-N 406.350 2.732 10 50 HFCA Cc1ccccc1N1C(=O)/C(=C/NC[C@@]2(C)C[C@H](O)CC(C)(C)C2)C(=O)NC1=S 110149787 YSCGFPRCRZYIKV-RSYPVOIGSA-N 415.559 2.794 10 50 HFCA COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)cc1OC 1269237 BICNMJGIQJPMGT-OQLLNIDSSA-N 401.469 2.645 10 50 HFCA COC(=O)Cn1cc(/C=C2\C(=O)N=C(O)N(c3cccc(F)c3)C2=O)c2ccccc21 2216179 YHSGQKJFCYYNBP-RQZCQDPDSA-N 421.384 2.824 10 50 HFCA CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)C2=O)c1 2305061 SKSTVFWOEDQNMA-VBEHJTROSA-N 424.409 2.604 10 50 HFCA CC(C)C[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 15218761 IQOLOUFGWPZJLY-SMOZNVCYSA-N 422.481 2.707 10 50 HFCA C[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccc(N2CCN(C)CC2)cc1 2325702499 YXWMDWMKHBPZDO-SFHVURJKSA-N 404.514 2.631 10 50 HFCA O=C(O)CN1C(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC1=S 3108168 PSXXTZOZVKBFHS-RUDMXATFSA-N 403.235 2.643 10 50 HFCA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O 4687992 MHPGUCGIUPJYQJ-VAKHEIKFSA-N 420.487 2.902 10 50 HFCA COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccc2c(c1)OCO2 18141197 HDBDAVKNTHEOEJ-STZFKDTASA-N 407.426 2.745 10 50 HFCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CCCC1 220961569 JGWXXGJQKWZOBM-GHRIWEEISA-N 406.398 2.861 10 50 HFCA CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)C[C@@H](C(C)C)OC3 13152785 BPYATQKIMLKCMF-AWEZNQCLSA-N 405.520 2.989 10 50 HFCA O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 109496850 ZTIBWFMJEMTBIF-KWZZGZCOSA-N 400.456 2.749 10 50 HFCA CN1C(=O)C(=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C(=O)N(C)C1=S 4655903 BGFDAOWHBGNHOZ-UHFFFAOYSA-N 404.831 2.897 10 50 HFCA COc1cc(/N=N/c2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)cc(OC)c1O 2325904065 SEIXCIABWLTGMR-XGBCSFPLSA-N 424.413 2.586 10 50 HFCA O=C1NC(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2F)C(=O)N1 1193684 HDXQHXYPYPHLKH-UHFFFAOYSA-N 419.206 2.917 10 50 HFCA CCOc1cccc(CN2CCCC[C@H]2CCn2cc(C(=O)NC(C)C)nn2)c1O 12183239 QJRCWCPNVJUDKC-SFHVURJKSA-N 415.538 2.965 10 50 HFCA NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CSc4ccccc4O3)cc2)C1 1875258065 TWMNREWYNXJMJI-LPHOPBHVSA-N 411.527 2.558 10 50 HFCA COc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)CC2)cc1F 753893573 AZQWSBNMSCRSCL-UHFFFAOYSA-N 414.437 2.544 10 50 HFCA COc1ccc(N2CCN(C(=O)CCc3nc4ccccc4nc3OC)CC2)cc1 6702305 LMHDABPYRIPQBG-UHFFFAOYSA-N 406.486 2.928 10 50 HFCA CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)O)cc3)C2=O)cc1 9168635 UIJKGSQGFSTCOS-WQRHYEAKSA-N 408.410 2.940 10 50 HFCA CCOc1cccc(CN2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)c1O 12331669 HVRZSGLCVCNZCX-UHFFFAOYSA-N 401.511 2.605 10 50 HFCA O=C(CN1C(=O)N/C(=C\c2ccc(N3CCCC3)c(F)c2)C1=O)Nc1ccccc1 2830321 RHUDKSFUIQYFNF-AQTBWJFISA-N 408.433 2.957 10 50 HFCA O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCC(=O)N(CC2CCCCC2)C1 11667810 KKYSKKCFUPNREB-NRFANRHFSA-N 413.562 2.958 10 50 HFCA COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c1O 852862 VNBGOTRNESEMIN-JYRVWZFOSA-N 417.215 2.830 10 50 HFCA Cc1nc(-c2ccccn2)cc(=NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[nH]1 1875255336 FGFSPVVCFVRIES-GOSISDBHSA-N 402.502 2.583 10 50 HFCA COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Cl)c1O 22146396 MNPINQCAHQSYPD-AUWJEWJLSA-N 421.862 2.508 10 50 HFCA CCCCC1=NN2C(=N)/C(=C/c3cccc(OS(C)(=O)=O)c3)C(=O)N=C2S1 4725405 FKZLOLHVCKUEQT-JADYNCEHSA-N 406.489 2.834 10 50 HFCA COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OC 15010478 RLQPQHIJXBOAPO-UITAMQMPSA-N 407.254 2.797 10 50 HFCA Cc1ccc(-n2cc(/C=C3/C(=O)NC(=O)N(CCc4ccccc4)C3=O)cn2)cc1 16214099 JFBZCQAKJDKUJO-MOSHPQCFSA-N 400.438 2.885 10 50 HFCA Cc1ccccc1N1C(=O)NC(=O)C(=CNN2CCCC[C@H]2c2cccnc2)C1=O 2049432905 CIYJBNZKEXNPPH-IBGZPJMESA-N 405.458 2.589 10 50 HFCA COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OCc1ccc(Cl)cc1 1135818 QHLSJQULFGUPAQ-UHFFFAOYSA-N 402.859 2.842 10 50 HFCA COc1ccccc1N1C(=O)/C(=C\c2ccc(OC)c(OC)c2OC)C(=O)N=C1O 17138548 LKYWOZTVBAYSQX-QBFSEMIESA-N 412.398 2.592 10 50 HFCA COc1cccc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1O 4700314 RRWWNRKYMHCQGL-UHFFFAOYSA-N 423.557 2.957 10 50 HFCA COc1ccccc1N1CCN(S(=O)(=O)c2c(C)ccc3nsnc23)CC1 2833594 PEXFGQOCFDVAPI-UHFFFAOYSA-N 404.517 2.519 10 50 HFCA CCOC(=O)C1=CNN2C=C(N[C@H](c3ccccc3)c3cc(F)ccc3O)C=N[C@H]12 261508653 VNIYVTDKQUJFKM-RTWAWAEBSA-N 408.433 2.729 10 50 HFCA CCOc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)ccc1OCC(=O)OC 1147346 HTORTRNOIBRAAS-UHFFFAOYSA-N 406.431 2.883 10 50 HFCA CN1C(=O)C(=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)N(C)C1=O 1211239 ZKSWPFHAIVKYPA-UHFFFAOYSA-N 416.437 2.714 10 50 HFCA Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)C(=O)NC2=S)c(C)c1 2979037 ZTORDMOINPMZIK-SWEABUAFSA-N 424.478 2.987 10 50 HFCA COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1Cn1nc(C)cc1C 17091107 QRKKUDSRMOUMAK-PXNMLYILSA-N 417.512 2.843 10 50 HFCA CC1(C)C[C@@H](O)C[C@@](C)(CN/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 105872031 LMGUPZRPNJYARL-HGJINQMHSA-N 419.909 2.974 10 50 HFCA COCCN1C(=O)/C(=C2/C(=O)N(C)c3ccc(Br)cc32)SC1=S 2279777 XDHFJJASWSRCIS-QXMHVHEDSA-N 413.318 2.643 10 50 HFCA CCN1C(=O)/C(=C/c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC1=S 1242036 QTRBJYBPJZBYAY-XTCQQWIJSA-N 416.528 2.507 10 50 HFCA O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)cc1 13649658 OVASLBMFWJGCOK-UHFFFAOYSA-N 411.321 2.764 10 50 HFCA O=C1NC(=S)NC(=O)C1=Cc1ccc(OCCOc2ccccc2Cl)cc1 2977501 HVMVMXMOTAQKTN-UHFFFAOYSA-N 402.859 2.712 10 50 HFCA CSc1ncc(/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cn1 15856660 HAKAPFJRIBHHGR-XGICHPGQSA-N 408.361 2.884 10 50 HFCA CCc1ccc(N2C(=O)/C(=C\c3cc4c(cc3OC)OCO4)C(=O)NC2=S)cc1 4723941 OFBIFOUNUHZDPI-NVNXTCNLSA-N 410.451 2.818 10 50 HFCA O=S(=O)(Nc1ccc(O)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 3098679 UKPRQOGKDXAOGI-UHFFFAOYSA-N 404.469 2.994 10 50 HFCA COc1ccc(N2CCN(C(=S)NC(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 4741158 VOIJXVLWEDAANJ-UHFFFAOYSA-N 406.489 2.502 10 50 HFCA CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCn2ccnc2)cc1 12414048 GGTSRJJDPBAFFD-XLNRJJMWSA-N 417.513 2.927 10 50 HFCA COc1ccc(/C=C2/SC(=S)N(CCCC(=O)OCCN(C)C)C2=O)cc1 16134119 ZFJANJXGVHAPFC-DTQAZKPQSA-N 408.545 2.781 10 50 HFCA CCOC(=O)c1c(NC=C2C(=O)N(C)C(=O)N(C)C2=O)sc2c1CC[C@@H](CC)C2 5575010 VSDNJYCAZXKHAJ-LLVKDONJSA-N 419.503 2.786 10 50 HFCA COc1ccc(O)c(CN2CCC3(CC[C@@H](CNC(=O)c4ccco4)O3)CC2)c1 11977926 AVFBUHAUMLAKQS-SFHVURJKSA-N 400.475 2.937 10 50 HFCA COC(=O)C1=C(C(=O)OC)C2(O[C@@H]1c1ccccc1C)C(=O)c1ccccc1C2=O 4145088 SHZLIYLKFPWZHZ-GOSISDBHSA-N 406.390 2.527 10 50 HFCA COCCCN/C=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccc(OC)cc1 4755684 OKLXNHPYOWUPJS-RGEXLXHISA-N 410.430 2.864 10 50 HFCA O=C1NC(=S)N=C(O)/C1=C\c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1 2946925 GVPSAYCJUWMKSM-UHFFFAOYSA-N 413.411 2.807 10 50 HFCA CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccccc1C 2919627 PLFZLNKSWFXXBC-UHFFFAOYSA-N 410.426 2.601 10 50 HFCA COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(Br)cc1O 13915199 GZBDRMZLZSGDTO-KPKJPENVSA-N 417.215 2.830 10 50 HFCA COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(OC)c3O)C2=O)cc1 19788669 XWVBMDOEXWSBCP-ZSOIEALJSA-N 402.790 2.729 10 50 HFCA CC(C)CCN1CCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@@H]1CCO 19839830 HBLBGFXVELHCLV-NRFANRHFSA-N 403.567 2.799 10 50 HFCA COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O 15659359 QWKAJNXWSRPKDX-QPEQYQDCSA-N 418.858 2.894 10 50 HFCA COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N=C2O)ccc1OCC(=O)O 15723028 IAFXJMUTDUFVOI-DHDCSXOGSA-N 410.382 2.974 10 50 HFCA COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(C)cc3)CC2)cc1 2940423 RKZKHLMRPVROJG-UHFFFAOYSA-N 402.516 2.516 10 50 HFCA CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 706513 PRRKOJKNZIOZEJ-HXUWFJFHSA-N 409.442 2.853 10 50 HFCA CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 3004078 APLZIROLUIMCDC-KAMYIIQDSA-N 413.430 2.746 10 50 HFCA COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc4c(cc3Cl)OCO4)C2=O)cc1 4456496 MRKSXRBLCSZPIW-MLPAPPSSSA-N 400.774 2.744 10 50 HFCA CCN(CC)c1ccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 1190151 GNJFJQCABOOTGA-YLQKULKDSA-N 410.586 2.921 10 50 HFCA COc1cc(/C=C2/C(=O)NC(=S)N=C2O)ccc1OCc1ccccc1[N+](=O)[O-] 2068557 OVEZQOPOJAHXCF-UHFFFAOYSA-N 413.411 2.937 10 50 HFCA CCOc1ccccc1CN1CCN(Cc2ccc(OC)cc2O)C[C@@H]1CCO 23373012 BMTIUXBXPVRKNW-FQEVSTJZSA-N 400.519 2.868 10 50 HFCA COc1cccc(OCCn2cc(C=C3C(=O)NC(=S)NC3=O)c3ccccc32)c1 813038 XZJHAKMEKZPNTL-UHFFFAOYSA-N 421.478 2.643 10 50 HFCA O=C(NN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)c1ccccc1O 1737951 RQYLPXGSNVAUSZ-ZROIWOOFSA-N 401.425 2.847 10 50 HFCA NC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)C1 250234065 HYRGWFDDDPBHDW-XPTJVHRZSA-N 405.458 2.931 10 50 HFCA COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(OC)c1 1176631 JAXCMEZYKRWCHL-JLHYYAGUSA-N 416.430 2.683 10 50 HFCA CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 13427377 YGJFUMQJAMMBDO-XTCQQWIJSA-N 416.528 2.507 10 50 HFCA CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cccc(OC)c1O 408525814 OCLMCXFEDSEQCR-QGZVFWFLSA-N 417.487 2.860 10 50 HFCA COc1ccc(CN2CCN(Cc3cccc(OC)c3O)C[C@@H]2CCO)c(F)c1 20515076 IQROCGWNCKMEJY-SFHVURJKSA-N 404.482 2.617 10 50 HFCA O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)c(O)c1 1225773 CCCMYHPRPLNOQD-KPKJPENVSA-N 403.188 2.527 10 50 HFCA CC(C)C(=O)N[C@@H](C)c1nnc2n1CCN(C/C=C/c1ccc(N(C)C)cc1)CC2 14994916 RAGSRMIGTUCUFJ-DKFQHHCZSA-N 410.566 2.749 10 50 HFCA NC(=O)c1c(NS(=O)(=O)c2ccc(Br)cc2)sc2c1CCC2 2762374 DEWIFNSSAXVWOK-UHFFFAOYSA-N 401.307 2.899 10 50 HFCA COc1ccc(N2CCN(Cc3nc(N)nc(Nc4cccc(C)c4)n3)CC2)cc1 9009828 YXSCUKBXVOHOLZ-UHFFFAOYSA-N 405.506 2.837 10 50 HFCA CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)N(C)C1=S 1172925 FYANRCGIYYJLTE-UHFFFAOYSA-N 404.831 2.897 10 50 HFCA COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1cc(C)cc(C)c1 5102405 LHBCZMSZGAMTOT-UHFFFAOYSA-N 410.426 2.519 10 50 HFCA CCN1C(=O)/C(=C2\Sc3ccccc3N2CCCS(=O)(=O)O)SC1=S 18024938 ZHNBFYMZDUSWSL-WYMLVPIESA-N 416.571 2.926 10 50 HFCA CCCN1C(=O)/C(=C/c2c(NCCOC)nc3c(C)cccn3c2=O)SC1=S 1831172 WJXACYPIYOKWTF-KAMYIIQDSA-N 418.544 2.672 10 50 HFCA COc1cc(OC)cc(C(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)c1 4757908 YVZWZONFOYSSAH-UHFFFAOYSA-N 401.419 2.583 10 50 HFCA COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2)C1=O 1197534 DUVSWBLEUWDCCE-OQLLNIDSSA-N 412.467 2.852 10 50 HFCA CC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 169712889 ADKVKIACXGVOPH-LHUKNYEISA-N 414.845 2.729 10 50 HFCA Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(I)o3)C2=O)c1 6886421 WGOUPSQLFOHMFV-WQLSENKSSA-N 422.178 2.859 10 50 HFCA COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)cc1 170634686 ZMXCMYWQKBJVJK-DZGCQCFKSA-N 404.488 2.791 10 50 HFCA CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc([N+](=O)[O-])c2O)NC(=S)N1 35352872 GTWOYUOZWVRTRY-OAHLLOKOSA-N 402.407 2.871 10 50 HFCA COc1cc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)O)cc(OC)c1OC 1198934 DHOVTRLHBPIYBR-MHWRWJLKSA-N 400.431 2.634 10 50 HFCA CCc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)C(=O)NC2=S)cc1 2158924 MPJDNUYJFTXQPH-HTMJNSLASA-N 424.478 2.932 10 50 HFCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C(=O)O)ccc3OCC)C2=O)cc1 22229396 PYPJOIZIRSZQHS-SFQUDFHCSA-N 424.409 2.849 10 50 HFCA CCOc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OC 16226178 VAKCNISAHJGZBW-BOPFTXTBSA-N 415.471 2.547 10 50 HFCA Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)no1 1767859 UTGVKXZZUHTPGY-ZSOIEALJSA-N 417.468 2.942 10 50 HFCA CCOc1cccc(N2C(=O)NC(=O)/C(=C/NCCc3c[nH]c4ccccc34)C2=O)c1 6000594 WCCHZCWUYWPYJT-RGEXLXHISA-N 418.453 2.866 10 50 HFCA COc1cccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)c1 15723275 JYLBHWUTRUTOBB-GDNBJRDFSA-N 420.206 2.761 10 50 HFCA COc1ccc(CN2CCN(Cc3cc(OC)ccc3O)C[C@H]2CCO)c(F)c1 39420587 UJTMLRFZDCYWFA-GOSISDBHSA-N 404.482 2.617 10 50 HFCA COc1ccc(CN2CCCC[C@@H]2CCn2cc(C(=O)NC(C)C)nn2)c(O)c1 12129815 CSXCATFDOMHWMS-QGZVFWFLSA-N 401.511 2.575 10 50 HFCA CC1CCN(c2ccc([C@H](C)NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 72437869 NWAQFAOLADTIEQ-HKUYNNGSSA-N 407.580 2.772 10 50 HFCA CN1C(=O)c2ccc(C(=O)Nc3ccc(Br)cc3C(=O)O)cc2C1=O 4700955 IEWLIQMWXBJKHD-UHFFFAOYSA-N 403.188 2.625 10 50 HFCA CCN(CC)c1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 13370572 GNJFJQCABOOTGA-CNYBTUBUSA-N 410.586 2.921 10 50 HFCA CCOc1ccccc1CN1CCN(Cc2cc(OC)ccc2O)C[C@H]1CCO 104321134 QXUDLMYMCANUMM-HXUWFJFHSA-N 400.519 2.868 10 50 HFCA COc1ccc(N2CCN(C[C@@H](O)COc3ccc4c(C)cc(=O)oc4c3)CC2)cc1 19909154 QHJJVSMNDRYADP-LJQANCHMSA-N 424.497 2.672 10 50 HFCA CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3cc(Cl)cc(OC)c3O)C2=O)cc1 4675192 RIMMUIYBEJYZPM-DHDCSXOGSA-N 416.817 2.692 10 50 HFCA CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N(CCO)C(C)(C)C)C2=O)cc1 13382175 MYIGLIQBVWGFLY-VBKFSLOCSA-N 422.572 2.906 10 50 HFCA COc1ccc(N2CCN(c3cc(N4CCN(C)CC4)ccc3[N+](=O)[O-])CC2)cc1 4754879 WTVYRCCVTXSYFS-UHFFFAOYSA-N 411.506 2.682 10 50 HFCA COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)C2=O)cc1 5061651 KXSKUVXLLSEZBU-QPEQYQDCSA-N 402.790 2.729 10 50 HFCA Cc1ccc(N2C(=O)CN(c3ccc(OC(C)C)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1875265420 LQHWYZHMYKQYLD-LEWJYISDSA-N 414.527 2.801 10 50 HFCA Cc1ccccc1-n1c(C)cc(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)c1C 390832828 RBIWRSZXTJFSTP-HKUYNNGSSA-N 403.548 2.850 10 50 HFCA COc1ccc(CN2CCN(Cc3cc(OC)ccc3O)C[C@@H]2CCO)c(F)c1 20913772 UJTMLRFZDCYWFA-SFHVURJKSA-N 404.482 2.617 10 50 HFCA CN(C)CCOC(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 2986501 SRRSAFVDSYPURU-WJDWOHSUSA-N 422.528 2.502 10 50 HFCA COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cc(C)on3)C2=O)cc1OC 11612147 KOXRQJMTRHXIGH-RIYZIHGNSA-N 419.484 2.840 10 50 HFCA Cc1cccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)C(=O)NC2=S)c1C 6565983 MKXLYMDRPPNJHT-MPMPPSQCSA-N 424.478 2.987 10 50 HFCA O=C1NC(=S)NC(=O)C1=Cc1ccccc1OC(=O)c1cccc2ccccc12 1179053 VLNZTWRYRHDEFR-UHFFFAOYSA-N 402.431 2.973 10 50 HFCA CCc1cc(C)cc(OCCOc2ccccc2C=C2C(=O)NC(=S)NC2=O)c1 2947549 DLVHLYYPRLZYBF-UHFFFAOYSA-N 410.495 2.930 10 50 HFCA CC1CCN(c2ccc([C@@H](C)NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)CC1 65365227 UDIMEFSCBYRTTJ-QGZVFWFLSA-N 407.580 2.772 10 50 HFCA O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O 4663744 SMFMUKRIWOKWMX-UHFFFAOYSA-N 401.378 2.828 10 50 HFCA Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCC(=O)N2CCN(C)CC2)c1 1318564289 NNHGELUDTMOTNW-UHFFFAOYSA-N 402.926 2.641 10 50 HFCA CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)cc1 1185776 OORMQUDTUALWIK-UHFFFAOYSA-N 410.499 2.651 10 50 HFCA COC(=O)C[C@H](c1ccco1)c1c(O)n(CCc2ccc(O)c(O)c2)c(C)cc1=O 409413384 BVFUWLLKYBOXNX-OAHLLOKOSA-N 413.426 2.804 10 50 HFCA Cc1ccc(N2C(=O)C(=CNN3CCCC[C@H]3c3cccnc3)C(=O)NC2=S)cc1 2049439550 LYPRZQFFNFKLBW-IBGZPJMESA-N 421.526 2.753 10 50 HFCA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](N=[N+]=[N-])[C@H]1NC(=O)c1ccccc1 6180366 JHQIGYJGIOOGAW-HJRPSSTNSA-N 410.430 2.949 10 50 HFCA CCc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCN(C)CC3)C2=O)cc1 13543743 VQNITLUVCOFHPJ-VKAVYKQESA-N 403.573 2.614 10 50 HFCA O=S(=O)(Nc1cccc(N2CCC(N[C@@H]3CCOC3)CC2)c1)c1ccc(F)cc1 15002943 KKQUKLSAHDEEDK-LJQANCHMSA-N 419.522 2.974 10 50 HFCA COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc([N+](=O)[O-])c1O 13546345 QUUHNTDMOUNRRM-VGOFMYFVSA-N 411.370 2.592 10 50 HFCA COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc1ccc(C)cc1 2987300 DDXVKCISCYCPOA-UHFFFAOYSA-N 424.453 2.895 10 50 HFCA C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)C1 72441792 AGRVXJMTWJFGAI-ZHALLVOQSA-N 407.580 2.772 10 50 HFCA CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 72437868 NWAQFAOLADTIEQ-MJGOQNOKSA-N 407.580 2.772 10 50 HFCA COc1ccc(CN2CCN(Cc3cccc(OC)c3O)C[C@H]2CCO)c(F)c1 104509876 IQROCGWNCKMEJY-GOSISDBHSA-N 404.482 2.617 10 50 HFCA Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)cccc1N(C)S(C)(=O)=O 65364214 SUWQBXSBAVATLO-UHFFFAOYSA-N 401.532 2.921 10 50 HFCA CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 1178157 BGLXQGOHGLGDLE-UHFFFAOYSA-N 414.801 2.707 10 50 HFCA CCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCOC)C1=O 12923209 ACOFOSRFJNTPCG-OWBHPGMISA-N 418.544 2.754 10 50 HFCA O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\C=C\c1ccco1 15836842 UQGKRYHUKJZZPI-NQDFZQDQSA-N 406.179 2.902 10 50 HFCA C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCC[C@@H](C)C2)cc1 106231841 WJHJXTQQGBICKH-SJORKVTESA-N 407.580 2.772 10 50 HFCA COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(OC)c1 13800836 ZIVBNCJCNHPYGQ-XNTDXEJSSA-N 400.362 2.518 10 50 HFCA COc1ccc(N2CCN(c3c(NCc4ccc(Cl)cc4)c(=O)c3=O)CC2)cc1 218122143 AHIGJTAUACKJPJ-UHFFFAOYSA-N 411.889 2.883 10 50 HFCA CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCOCC3)C2=O)cc1 15799451 NOOYRGGDSSJODM-SSZFMOIBSA-N 406.529 2.535 10 50 HFCA CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C(=O)NC1=S 1131599 JABFFQXEZZRCBC-GZTJUZNOSA-N 411.483 2.527 10 50 HFCA COC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)SC1=S 1237709 DNOZVUGWKUSSIX-IZZDOVSWSA-N 402.291 2.832 10 50 HFCA NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CSc4ccccc4O3)cc2)C1 1875258064 TWMNREWYNXJMJI-APWZRJJASA-N 411.527 2.558 10 50 HFCA CCOC(=O)c1c(NC=C2C(=O)N(C)C(=O)N(C)C2=O)sc2c1CC[C@H](CC)C2 5575468 VSDNJYCAZXKHAJ-NSHDSACASA-N 419.503 2.786 10 50 HFCA CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)C1=O 8834513 KHCLNSZYCTUFMD-KAMYIIQDSA-N 424.413 2.726 10 50 HFCA O=C(O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 875973 QUZLRQNDPZNXEC-NTEUORMPSA-N 423.425 2.696 10 50 HFCA COc1ccc(N2CCN(C(=O)c3cc(F)ccc3OCCCN)[C@H](C)C2)cc1 426401976 QPDABGAJSOJATP-MRXNPFEDSA-N 401.482 2.913 10 50 HFCA CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NCc3cccc(OC)c3O)CC2)nn1 299771565 UEUDXFMSUAWEAL-CALCHBBNSA-N 401.511 2.748 10 50 HFCA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](N=[N+]=[N-])[C@@H]1NC(=O)c1ccccc1 257347499 JHQIGYJGIOOGAW-LRXQYKGQSA-N 410.430 2.949 10 50 HFCA O=C1N=C(N2CCOCC2)S/C1=C1\C(=O)N(Cc2ccccc2)c2ccccc21 2282053 ORBUEOBNKAMKQW-HNENSFHCSA-N 405.479 2.906 10 50 HFCA CNC(=O)c1ccc2c(c1S(=O)(=O)c1ccccc1)C(=O)c1ccccc1C2=O 4694297 QPSLRTCTXSWGCO-UHFFFAOYSA-N 405.431 2.654 10 50 HFCA C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N2CCC[C@@H](C)C2)cc1 225244694 AGRVXJMTWJFGAI-ZIFCJYIRSA-N 407.580 2.772 10 50 HFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1OC 1154559 HBSUJUOUFFDRKA-LFIBNONCSA-N 410.426 2.996 10 50 HFCA COc1cccc(CN2CCCC[C@H]2CCn2cc(C(=O)NC(C)C)nn2)c1O 12217474 CVIDWYUACGRWNZ-KRWDZBQOSA-N 401.511 2.575 10 50 HFCA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1O 4724979 UXTDCPVRDJCQTI-WQLSENKSSA-N 404.176 2.524 10 50 HFCA COc1cccc(N2C(=O)N=C(O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)c1 15659275 KQMKODWZOJMGPO-MLPAPPSSSA-N 413.342 2.824 10 50 HFCA CC(C)C[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 245238280 IQOLOUFGWPZJLY-ZSTWQFLISA-N 422.481 2.707 10 50 HFCA CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 2989336 OCUFYYIUYCCLCN-LFIBNONCSA-N 424.409 2.849 10 50 HFCA Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)N(C)C2=S)cc1 680410 ULJMDVXPISQNKJ-GHRIWEEISA-N 411.483 2.598 10 50 HFCA CCn1c2c(c3cc(C(=O)N(C)Cc4nncn4CCOC)ccc31)CCCC2=O 952985856 ICYUYFDCFSNAQJ-UHFFFAOYSA-N 409.490 2.690 10 50 HFCA O=C(O)CCN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)SC1=S 1071325 DEURBLWUSFYEQZ-NYYWCZLTSA-N 416.274 2.854 10 50 HFCA CCOC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 1214881 WMKKFXWLVTYCGN-SFQUDFHCSA-N 408.410 2.603 10 50 HFCA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cc(OC)ccc2O)CC1 12589000 WZNQRXCOYCJZEQ-HXUWFJFHSA-N 403.567 2.994 10 50 HFCA CC1(C)C[C@@H](O)C[C@](C)(CN/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 110149774 LMGUPZRPNJYARL-DDIUCAPKSA-N 419.909 2.974 10 50 HFCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(I)o1 4703278 VVNXJYXHTJMKLG-FLIBITNWSA-N 408.151 2.551 10 50 HFCA CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 7243752 RYJYYYOVKJYJSO-MRXNPFEDSA-N 407.561 2.531 10 50 HFCA Oc1ccccc1CN1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20998527 RDZWGTGTUFYKHN-NRFANRHFSA-N 409.530 2.903 10 50 HFCA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](N=[N+]=[N-])[C@@H]1NC(=O)c1ccccc1 229845287 JHQIGYJGIOOGAW-TZGXILGRSA-N 410.430 2.949 10 50 HFCA COc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 5049939 XCQUKPXGWXRIMA-UHFFFAOYSA-N 405.838 2.984 10 50 HFCA CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 72437866 NWAQFAOLADTIEQ-IEBWSBKVSA-N 407.580 2.772 10 50 HFCA O=C1NC(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)N1 1206580 GXTALSDBZCJOPU-UHFFFAOYSA-N 419.206 2.917 10 50 HFCA COc1ccc(N2CCN(S(=O)(=O)c3cc(OC)c(C)cc3OC)CC2)cc1 6703985 ZFGWPKONQUDGMF-UHFFFAOYSA-N 406.504 2.532 10 50 HFCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 22034028 FJFRIJDWRDECFX-KPKJPENVSA-N 403.803 2.785 10 50 HFCA COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)c1C 1175466 JMJLSOLRIPEODW-UHFFFAOYSA-N 409.442 2.623 10 50 HFCA CC1CCN(c2ccc([C@H](C)NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)CC1 65365230 UDIMEFSCBYRTTJ-KRWDZBQOSA-N 407.580 2.772 10 50 HFCA O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)cc1 1208181 ZRLMZKFWWJBEPH-NTEUORMPSA-N 403.257 2.986 10 50 HFCA CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 100221646 OPGWHUKWAMGKGS-LSCADSNKSA-N 416.437 2.852 10 50 HFCA COc1cc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1 2892750 KNQBDCGYSLDDFX-YBEGLDIGSA-N 401.806 2.936 10 50 HFCA C[C@H](NC(=O)c1c[nH]nc1-c1cccnc1)c1ccc(N2CCN(C)CC2)c(F)c1 1875256494 VVMIAHCJZTVGBU-HNNXBMFYSA-N 408.481 2.854 10 50 HFCA O=C1/C(=C\c2ccccc2Br)SC(=S)N1CCS(=O)(=O)O 2823907 FSQQZRMAONZUIA-JXMROGBWSA-N 408.320 2.538 10 50 HFCA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)C2=O)c1C 2979468 VIXVRUGOXFYVEY-SWEABUAFSA-N 408.410 2.822 10 50 HFCA Cc1cccc(N2C(=O)NC(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C2=O)c1 19996196 QDQCCACLNLPTBV-QNGOZBTKSA-N 418.497 2.716 10 50 HFCA COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)N1CCCCC1 4999252 OKMZWGPUFYCWPM-UHFFFAOYSA-N 418.471 2.851 10 50 HFCA COc1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)NC2=S)cc1 2878715 BREJBJIXVCUOQY-XYOKQWHBSA-N 407.245 2.882 10 50 HFCA COc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1O 8914474 COXVNOIDJRMDKS-OVCLIPMQSA-N 411.370 2.592 10 50 HFCA CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)CC1 67604797 FHBRVIKYWFPMCF-QGZVFWFLSA-N 407.580 2.916 10 50 HFCA CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(=O)c1ccc(C)cc1 685048 TYTQUFRXZVEJIF-UHFFFAOYSA-N 410.451 2.527 10 50 HFCA Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(I)cc1 1170612 CUQAWNYZVBUVKA-RIYZIHGNSA-N 407.211 2.879 10 50 HFCA CCOc1cccc(CN2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)c1O 14999311 OFRCYRASNSIPOV-GOSISDBHSA-N 413.522 2.892 10 50 HFCA CCOc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(F)cc3)C1=O)OCO2 1133538 LCEVBZNHGUQWGR-VGOFMYFVSA-N 414.414 2.784 10 50 HFCA CCOc1ccccc1CN1CCN(Cc2cc(OC)ccc2O)C[C@@H]1CCO 19745704 QXUDLMYMCANUMM-FQEVSTJZSA-N 400.519 2.868 10 50 HFCA Cc1nn(-c2ccccc2)c(O)c1/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O 100902331 LXTAEFGQJVYMER-BOPFTXTBSA-N 422.441 2.857 10 50 HFCA Cc1cc(=O)c(O)c(C2(CC(=O)NCCc3ccc(O)c(O)c3)CCSCC2)o1 1848442568 AUWDAOLJKFWBKT-UHFFFAOYSA-N 419.499 2.579 10 50 HFCA CC[C@@H](C)N1C(=O)/C(=C/c2c(NCCOC)nc3ccccn3c2=O)SC1=S 2520583 KOPBXLFELLVUPP-POKNLVKOSA-N 418.544 2.753 10 50 HFCA COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1OC 13533960 GCUFVKJZTPFXSN-GDNBJRDFSA-N 401.469 2.645 10 50 HFCA COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12 13986943 XNBRWUQWSKXMPW-UHFFFAOYSA-N 406.508 2.520 10 50 HFCA investigational O=C1Nc2ccccc2/C1=C1/SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O 1269246 DILJESRXXYXHSN-DQHOPXMZSA-N 410.476 2.906 10 50 HFCA COc1ccc(OCCOc2cccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2)cc1 2977562 DGEKFWIUHVMRRX-UHFFFAOYSA-N 410.426 2.587 10 50 HFCA CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)NC1=O 1195668 HSMAABDBEIGFFL-IZZDOVSWSA-N 402.291 2.880 10 50 HFCA CCOc1cccc(CN2CCC[C@@H](Cn3cc(C(=O)N(CC)CC)nn3)C2)c1O 14959670 OYHCABSNSIQLIJ-QGZVFWFLSA-N 415.538 2.777 10 50 HFCA CC(C)C[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 169685049 IQOLOUFGWPZJLY-FIXDAVPBSA-N 422.481 2.707 10 50 HFCA CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCC 2878239 YLKXQJBOBDVHBS-UHFFFAOYSA-N 411.252 2.680 10 50 HFCA COc1cc(/C=C2/SC(=S)NC2=O)ccc1OS(=O)(=O)c1ccccc1 2962482 RVSHTIRVZIHMIC-XNTDXEJSSA-N 407.494 2.952 10 50 HFCA COCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C(C)C)C1=O 13801499 APZNHWVESMOGII-UVTDQMKNSA-N 418.544 2.671 10 50 HFCA COC(=O)c1cn(C[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc2c(=O)[nH]nc1-2 263588189 QEYNEMMYOBSPMQ-FQEVSTJZSA-N 423.517 2.756 10 50 HFCA COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(OC)c1OC 13773551 NZFHTYHKCVCZCY-NVNXTCNLSA-N 414.389 2.514 10 50 HFCA COc1ccc(CCN2C(=O)NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=O)cc1OC 1152578 BFFORCWBAAHMPL-SFQUDFHCSA-N 419.437 2.890 10 50 HFCA NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CSc4ccccc4O3)cc2)C1 1875258067 TWMNREWYNXJMJI-VQIMIIECSA-N 411.527 2.558 10 50 HFCA CCOc1cccc(CN2CCC3(CC[C@@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c1O 14879915 NVRDWFZHKXBRBK-ICSRJNTNSA-N 418.534 2.600 10 50 HFCA CN(C)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 11859246 XNCQGBUYALYWMM-TXPKVOOTSA-N 407.392 2.857 10 50 HFCA COc1ccc(CN2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c(O)c1 104338823 QPERDCNLGPZKSO-HXUWFJFHSA-N 400.519 2.787 10 50 HFCA COc1ccccc1N1C(=O)NC(=O)/C(=C/c2cn(C(C)=O)c3ccccc23)C1=O 830928 WUOIMSMQBJHZEQ-WJDWOHSUSA-N 403.394 2.976 10 50 HFCA biogenic CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 65277703 LKXZQVHGRMOXTF-HNNXBMFYSA-N 403.504 2.521 10 50 HFCA CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(Cc3ccco3)C2=O)c(OC)c1 1128713 YNECTLVPNCDQDL-BOPFTXTBSA-N 413.499 2.961 10 50 HFCA COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1O 1192385 IXSUIDZQUANVOC-KPKJPENVSA-N 417.215 2.830 10 50 HFCA COc1ccc(O)c(CN2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c1 104401130 USPZOFLTFIERSO-HXUWFJFHSA-N 400.519 2.787 10 50 HFCA COc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCC(=O)Nc1ccccc1 684733 LPSCIHSRLIWPOA-UHFFFAOYSA-N 411.410 2.932 10 50 HFCA COc1cc([C@H](c2cc3c(cc2O)OCO3)N2CCOCC2)cc(OC)c1OC 19908711 MDTSGAWUGIJIMV-HXUWFJFHSA-N 403.431 2.568 10 50 HFCA COc1ccc(N2C(=O)[C@@H]3[C@@H](C(C)=O)N4c5ccc(OC)cc5C=C[C@H]4[C@@H]3C2=O)cc1 245254638 BMVXYLWZOGBKRZ-MYGLTJDJSA-N 418.449 2.683 10 50 HFCA COc1ccc(S(=O)(=O)Oc2cccc(/C=C3\SC(=S)NC3=O)c2)cc1 15837263 NPGHJGRDGHZQBQ-GDNBJRDFSA-N 407.494 2.952 10 50 HFCA COc1ccc(N2CCOCC2)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 16579497 KZDIWJUZVWOKMW-UHFFFAOYSA-N 402.447 2.810 10 50 HFCA CC(C)C[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 245238279 IQOLOUFGWPZJLY-KTIHBUSBSA-N 422.481 2.707 10 50 HFCA COCCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1775971790 MVSBQKNWMPEPDD-QHCPKHFHSA-N 418.497 2.551 10 50 HFCA CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 67604794 FHBRVIKYWFPMCF-KRWDZBQOSA-N 407.580 2.916 10 50 HFCA CCOc1ccccc1N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 791414 KEOXLYIBJADNMB-UHFFFAOYSA-N 404.517 2.601 10 50 HFCA COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccco1 13388283 OEVSYBVLOAMVAM-ZSOIEALJSA-N 419.436 2.793 10 50 HFCA CN(C)c1ccc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)cc1 2916918 RVVNRNNKMZEVPH-AUWJEWJLSA-N 401.289 2.680 10 50 HFCA Cc1cccc(OCCn2cc(C=C3C(=O)NC(=S)NC3=O)c3ccccc32)c1 1191307 GBHVGLCOPUCKOU-UHFFFAOYSA-N 405.479 2.943 10 50 HFCA COc1ccc(N2CCN(C(=O)c3ccc(Br)o3)CC2)c([N+](=O)[O-])c1 4736777 PJBLEEAPYFIOQH-UHFFFAOYSA-N 410.224 2.921 10 50 HFCA Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)C(=O)NC2=S)cc1 2814083 MVWVGAHEKKTOHW-HNEYUBDGSA-N 410.451 2.678 10 50 HFCA CCOC(=O)C1=CNN2C=C(N[C@H](c3ccccc3)c3cc(F)ccc3O)C=N[C@@H]12 261508652 VNIYVTDKQUJFKM-NHCUHLMSSA-N 408.433 2.729 10 50 HFCA COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1O 13382171 CVJBTEGPSKKVNI-UXBLZVDNSA-N 418.290 2.839 10 50 HFCA CCOc1cccc(CN2CCC[C@H](n3cc(C(=O)NC4CCCC4)nn3)C2)c1O 14999314 OFRCYRASNSIPOV-SFHVURJKSA-N 413.522 2.892 10 50 HFCA Cc1ccccc1N1C(=O)/C(=C/NC[C@]2(C)C[C@@H](O)CC(C)(C)C2)C(=O)NC1=S 110149790 YSCGFPRCRZYIKV-FHOQTYKMSA-N 415.559 2.794 10 50 HFCA Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(Br)cc1F 1114368 CSTMYZWKNZZLQO-UHFFFAOYSA-N 406.211 2.745 10 50 HFCA CCc1cc(C)cc(OCCOc2cccc(C=C3C(=O)NC(=S)NC3=O)c2)c1 2946971 XSVLPLHSQFHPKE-UHFFFAOYSA-N 410.495 2.930 10 50 HFCA CCOC(=O)C(Cc1ccc(Oc2ccc(N)cc2)cc1)(NC(C)=O)C(=O)OCC 2893341 IJVFXSWZIGFGNZ-UHFFFAOYSA-N 414.458 2.605 10 50 HFCA CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 15745958 PUGBBKUWCTZSLH-XDHOZWIPSA-N 422.437 2.912 10 50 HFCA O=C(NN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)c1cccc([N+](=O)[O-])c1 1908894 AYQQKBJKAHZRPH-ZSOIEALJSA-N 401.425 2.847 10 50 HFCA COc1cccc(N2C(=O)NC(=O)/C(=C\c3cnc(-c4ccccc4)nc3)C2=O)c1 1180112 OHAYIKBCVLNFFQ-VCHYOVAHSA-N 400.394 2.819 10 50 HFCA C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)C1 65363049 WJHJXTQQGBICKH-IAGOWNOFSA-N 407.580 2.772 10 50 HFCA CCOC(=O)C1=CNN2C=C(N[C@@H](c3ccccc3)c3cc(F)ccc3O)C=N[C@@H]12 261508651 VNIYVTDKQUJFKM-LEWJYISDSA-N 408.433 2.729 10 50 HFCA COc1cc(OC)c(OC)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 13546446 SGBKBSWEXSPVOO-WQLSENKSSA-N 400.362 2.518 10 50 HFCA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1O 706670 AAQODDFPUDPRRB-UKTHLTGXSA-N 403.257 2.986 10 50 HFCA COc1cc(/C=C2/C(=O)NC(=S)N=C2O)ccc1OCc1ccc([N+](=O)[O-])cc1 2896994 PRBBHVUBBQMAMQ-UHFFFAOYSA-N 413.411 2.937 10 50 HFCA COc1ccc(N2CC3(CN(C(=O)c4c[nH]c(=N)nc4-c4ccccc4)C3)C2)cc1 2100483184 XDWLQVUSUMLGJO-UHFFFAOYSA-N 401.470 2.527 10 50 HFCA O=C1/C(=C\c2ccccc2Br)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1118972 ADZMRZJMVLEZHT-CEXMDJMXSA-N 418.359 2.837 10 50 HFCA COc1ccc(N2CCC(N3CCC(CCC(=O)NCCN(C)C)CC3)CC2)cc1 12435867 OBZIDXAZEYBZGE-UHFFFAOYSA-N 416.610 2.834 10 50 HFCA COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OCc1ccccc1Cl 1220168 UPTXKXJDKFWUQJ-UHFFFAOYSA-N 402.859 2.842 10 50 HFCA Cc1ccc(NS(=O)(=O)c2cccc3nonc23)cc1NC(=O)c1ccncc1 765061282 URJLMZMBFMOSLH-UHFFFAOYSA-N 409.427 2.979 10 50 HFCA CC(=O)Nc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 5764272 DTNKQBOAIYFLCU-SNVBAGLBSA-N 407.517 2.731 10 50 HFCA COc1ccc(CN2CCN(Cc3cccc(OC)c3O)C[C@H]2CCO)cc1C 104445647 PPLDIYHHAVFGHL-HXUWFJFHSA-N 400.519 2.787 10 50 HFCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1Cl 13546644 OLTCKKLHEMLIBQ-SDQBBNPISA-N 401.762 2.929 10 50 HFCA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)cc3)C2=O)c1C 2979466 VIXVRUGOXFYVEY-MPMPPSQCSA-N 408.410 2.822 10 50 HFCA COCCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(OC)c3)C2=O)c1C 2174846 TWRYINQUXOWGCD-WOJGMQOQSA-N 413.499 2.591 10 50 HFCA COc1ccc(N2CCN(c3nc(N4CCOCC4)c4ccccc4n3)CC2)cc1 41149008 FIJKAHKPXUYUTB-UHFFFAOYSA-N 405.502 2.802 10 50 HFCA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1 4140084 VDMYBMZYVVGDKM-NRFANRHFSA-N 407.470 2.895 10 50 HFCA CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CC(C)(C)N(C)C3 12413685 CPCSUYJJFHVSJK-UHFFFAOYSA-N 404.536 2.658 10 50 HFCA CCN1CCN(c2ccc(CNC(=O)N3CC[C@H](N(CC)CC)C3)cc2F)CC1 745810124 YBBJQRYVANICIT-IBGZPJMESA-N 405.562 2.593 10 50 HFCA CCN(CC)c1cc(OC)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1Br 3666260 OOZJCCJJRZNZHG-UHFFFAOYSA-N 424.295 2.738 10 50 HFCA COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)O)cc2)C1=O 2990802 DEHRSIBXJPHMFA-NTEUORMPSA-N 400.774 2.713 10 50 HFCA CCOc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c1 4164133 QVXZZDOZZDRVEO-FQEVSTJZSA-N 416.543 2.981 10 50 HFCA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1O 13477238 YNAQXOYOKJXDQD-JYRVWZFOSA-N 404.176 2.524 10 50 HFCA COc1ccc(N2CCN([C@H]3CCCN(C(=O)CN4CCCCCC4)C3)CC2)cc1 55245571 DWMVYBVUQBKSTF-QFIPXVFZSA-N 414.594 2.684 10 50 HFCA Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)O)cc3)C(=O)NC2=S)c1 2049422706 JVWBRFXQMKNNSY-AWEZNQCLSA-N 424.478 2.987 10 50 HFCA Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)c4cccnc4S3(=O)=O)c2C)cc1 253417847 GJBMAEGBLLSQGR-UHFFFAOYSA-N 409.467 2.825 10 50 HFCA COC(=O)C[C@H](c1cccnc1)c1c(O)n(CCc2ccc(O)c(O)c2)c(C)cc1=O 409414128 OOFUNERILNKLGR-QGZVFWFLSA-N 424.453 2.606 10 50 HFCA O=C1NC(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)C(=O)N1 1191471 PPISJHFRIHVBCY-UHFFFAOYSA-N 401.216 2.778 10 50 HFCA COc1ccc(N2CCN([C@H]3CCCN(C(=O)/C=C/c4ccncc4)C3)CC2)cc1 67909851 HRZHBEAEYWVXOG-DGOUCMFKSA-N 406.530 2.917 10 50 HFCA Cc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=S)N(C)C3=O)c(=O)n2c1 1155004 CLZUNKWEZPFZNZ-GXDHUFHOSA-N 400.529 2.824 10 50 HFCA COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccc(C)cc1C 2977936 GCDWJMBHILGHBK-UHFFFAOYSA-N 410.426 2.519 10 50 HFCA O=C(NCc1ccccc1)c1ccc2c(c1NCCO)C(=O)c1ccccc1C2=O 4186650 ZPPDZYSAXSTWIO-UHFFFAOYSA-N 400.434 2.796 10 50 HFCA COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(OC)c1OC 13766150 PEWLIABXGYWUDH-PTNGSMBKSA-N 412.467 2.852 10 50 HFCA CCN(CC)c1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 13370569 GNJFJQCABOOTGA-DFSFMLJYSA-N 410.586 2.921 10 50 HFCA CCN(CC)c1ccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1 23128544 MQYJHOUJGKPQRM-UHFFFAOYSA-N 424.593 2.641 10 50 HFCA COc1ccc(N2CCN([C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)cc1 55384243 LGQJVOBUIAYCBW-FQEVSTJZSA-N 415.559 2.671 10 50 HFCA CCc1noc(C)c1C(=O)N1CCC[C@H](N2CCN(c3ccc(OC)cc3)CC2)C1 67841349 DKIQJXMVZVADDS-IBGZPJMESA-N 412.534 2.981 10 50 HFCA COc1cccc(/C=C2/C(=O)NC(=S)N=C2O)c1OCc1ccc([N+](=O)[O-])cc1 2826811 HYJVUKYYPMRYIG-UHFFFAOYSA-N 413.411 2.937 10 50 HFCA Cc1cccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)C(=O)NC2=S)c1 2968516 BWWGBSWDKXRQKR-HNEYUBDGSA-N 410.451 2.678 10 50 HFCA CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(N)cc1)C2=O 83428816 UVAQGQOGOJLALA-UHFFFAOYSA-N 406.442 2.843 10 50 HFCA in-vitro O=C1NC(=O)C(=Cc2cccc(OCc3ccc(Br)cc3)c2)C(=O)N1 1175227 IGAMBUJSAUAMRA-UHFFFAOYSA-N 401.216 2.778 10 50 HFCA Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1 15723003 WFXMHYCAUDKWHS-DHDCSXOGSA-N 402.248 2.948 10 50 HFCA CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 706514 PRRKOJKNZIOZEJ-FQEVSTJZSA-N 409.442 2.853 10 50 HFCA Cc1ccc(N2C(=O)CN(c3ccc(OC(C)C)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 1875265422 LQHWYZHMYKQYLD-RTWAWAEBSA-N 414.527 2.801 10 50 HFCA O=C1Nc2ccccc2/C1=C1/SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O 1269248 DILJESRXXYXHSN-PQDJCJPTSA-N 410.476 2.906 10 50 HFCA CCCCOc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1OC 2818249 BPQOYRKGFCHZGS-UHFFFAOYSA-N 413.293 2.551 10 50 HFCA O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1cn[nH]c1 888103863 GABIMJPWZOYXLS-UHFFFAOYSA-N 410.437 2.936 10 50 HFCA COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)cc1 170634678 ZMXCMYWQKBJVJK-HIFRSBDPSA-N 404.488 2.791 10 50 HFCA COc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1 1197274 MPHMBEGXLWUZHD-MKMNVTDBSA-N 414.801 2.739 10 50 HFCA CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1cccc(Br)c1 16160971 FKAHRZITXXOSCM-YBEGLDIGSA-N 420.288 2.903 10 50 HFCA O=C(NCc1cccnc1)C1CCN(C2CCN(Cc3ccccc3O)CC2)CC1 39362472 DFIQURAKZXSZLK-UHFFFAOYSA-N 408.546 2.780 10 50 HFCA COc1cc(Cl)cc([C@@H]2NC(=O)NC(C)=C2C(=O)NCc2ccccc2)c1O 1147938 RJGINOAWQKSZOO-KRWDZBQOSA-N 401.850 2.999 10 50 HFCA COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccccc1Cl 829392 BVNLODZNYSUPTH-UHFFFAOYSA-N 402.859 2.842 10 50 HFCA Cc1ccc(C(=O)NN2C(=O)/C(=C3/C(=O)N(C)c4ccccc43)SC2=S)cc1 2678246 IDGZJVRMYHWQOB-NXVVXOECSA-N 409.492 2.888 10 50 HFCA COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C2=O)c1 9335066 FSLFDELMKSLEQT-VAKPMEJFSA-N 423.381 2.835 10 50 HFCA C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)C1 106231845 WJHJXTQQGBICKH-IRXDYDNUSA-N 407.580 2.772 10 50 HFCA CCOc1cccc(CN2CCc3nnc([C@@H](NC(=O)CC)C(C)C)n3CC2)c1O 11911065 VSDUJVNTOUBEJE-FQEVSTJZSA-N 415.538 2.664 10 50 HFCA COc1cc(OC)c(OC)cc1/C=C1/C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O 15659289 MRMFZUZPRAVBPH-NVNXTCNLSA-N 414.389 2.514 10 50 HFCA CN1C(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N(C)C1=S 1186484 YHPQMLKDRVBEBX-UHFFFAOYSA-N 411.439 2.773 10 50 HFCA C[C@@]1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)Cc2ccccc2C(=O)O1 170631760 HVUNGCJMYYJHST-DEOSSOPVSA-N 408.498 2.683 10 50 HFCA C[C@H](NC(=O)C(=O)Nc1cccc2[nH]ccc12)c1ccc(N2CCN(C)CC2)cc1 2325734133 SCAZAWXOOJQAMQ-INIZCTEOSA-N 405.502 2.736 10 50 HFCA COc1ccc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)cc1C(=O)O 16226082 HWNTZGPNIAVPCP-ZSOIEALJSA-N 411.326 2.808 10 50 HFCA O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 12174575 CRUHVJLVWXDCNF-WBOGTDJTSA-N 418.359 2.837 10 50 HFCA CCc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)C(=O)NC2=S)cc1 2158929 MPJDNUYJFTXQPH-RNEAKCBISA-N 424.478 2.932 10 50 HFCA COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(F)cc1 2970631 QGFWVOPNFZNURQ-UHFFFAOYSA-N 404.781 2.816 10 50 HFCA COc1ccc(CN2C(=O)N=C(O)/C(=C\c3cc(OC)c(O)c(OC)c3)C2=O)cc1 1253311 CGLBAXDVVIAVLN-OVCLIPMQSA-N 412.398 2.920 10 50 HFCA CCOc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 4164128 QVXZZDOZZDRVEO-HXUWFJFHSA-N 416.543 2.981 10 50 HFCA COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(C)n(C)c1C 16264759 RBECHYYHVNTZDF-WQRHYEAKSA-N 413.499 2.798 10 50 HFCA CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)cc3)C2=O)cc1 2289624 UNLLRSTZQFSXME-HTMJNSLASA-N 408.410 2.767 10 50 HFCA C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N2CCC[C@@H](C)C2)cc1 226910844 AGRVXJMTWJFGAI-AOIWGVFYSA-N 407.580 2.772 10 50 HFCA C[C@]1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)Cc2ccccc2C(=O)O1 170631759 HVUNGCJMYYJHST-XMMPIXPASA-N 408.498 2.683 10 50 HFCA COc1ccc(N2CCN(S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)CC2)cc1 4661332 XXLAEFAPMKKSHM-KKSFZXQISA-N 406.548 2.542 10 50 HFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1Cl 1137759 FNYRCDCUUMTGQD-MDWZMJQESA-N 400.774 2.713 10 50 HFCA OC[C@@]1(Cc2ccccc2)CN(C2CCN(c3ccc4c(c3)OCO4)CC2)CC[C@@H]1O 1529090523 JECXSSQDHOIJAF-LOSJGSFVSA-N 424.541 2.672 10 50 HFCA CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)C2=O)cc1 2289626 UNLLRSTZQFSXME-RNEAKCBISA-N 408.410 2.767 10 50 HFCA COc1ccc(O)c(CN2CCC3(CC[C@H](CNC(=O)c4ccco4)O3)CC2)c1 11977931 AVFBUHAUMLAKQS-GOSISDBHSA-N 400.475 2.937 10 50 HFCA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(Sc2ncn[nH]2)c1 15919301 ROGMLDFSXQITLL-UHFFFAOYSA-N 407.433 2.679 10 50 HFCA CCc1ccccc1N1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)O)cc2)C(=O)NC1=S 2969447 VQQZXRCBQSOTIH-LVLBFHFTSA-N 424.478 2.932 10 50 HFCA COc1cc(OC)c(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(OC)c1 15659343 QGVUHEPKHRHHGE-WJDWOHSUSA-N 412.467 2.852 10 50 HFCA Cc1ccccc1OCCn1cc(C=C2C(=O)NC(=S)NC2=O)c2ccccc21 5090830 KMTWKYLPOSOZDA-UHFFFAOYSA-N 405.479 2.943 10 50 HFCA NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3c(Cl)nc4ccccn34)cc2)C1 170648986 WFXLXPIJYYESGC-HNNXBMFYSA-N 411.893 2.619 10 50 HFCA Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1C 1176688 NVHHKGIGPMEGAU-UHFFFAOYSA-N 412.471 2.909 10 50 HFCA CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 9169842 IQPDSBPMQLMZAL-YPOUMIDOSA-N 402.410 2.543 10 50 HFCA COc1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] 16667520 KHIZGHQCCYAOAY-JYRVWZFOSA-N 418.203 2.827 10 50 HFCA COc1cc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc(Br)c1O 16671926 HPEMUCVQHIQLSV-QPEQYQDCSA-N 403.232 2.933 10 50 HFCA COc1ccc(CN2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c(O)c1 20202839 QPERDCNLGPZKSO-FQEVSTJZSA-N 400.519 2.787 10 50 HFCA O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2282624 CRUHVJLVWXDCNF-LAPSENCUSA-N 418.359 2.837 10 50 HFCA CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1O 13571174 GUYMXDPEPVWJPW-DHDCSXOGSA-N 401.469 2.732 10 50 HFCA CC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 251748295 ADKVKIACXGVOPH-WOYCLPQFSA-N 414.845 2.729 10 50 HFCA CN(C)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 4116641 XNCQGBUYALYWMM-BXWFABGCSA-N 407.392 2.857 10 50 HFCA COc1cc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)ccc1OCC(N)=O 217664839 YGBOXRUJTNVTJW-UHFFFAOYSA-N 420.381 2.808 10 50 HFCA biogenic COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cc(C)c(C)cc2N)cc1 4978311 IJYPQGBCVWTDSW-UHFFFAOYSA-N 404.470 2.903 10 50 HFCA O=C1N=C(N2CCCCN2)S/C1=C\c1ccc(F)cc1OC(=O)N1CCCC1 140462619 DIXMMXNNKLCLOM-WJDWOHSUSA-N 404.467 2.991 10 50 HFCA CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCOC)C1=O 12930582 SRBDOZDXWHZQAH-KAMYIIQDSA-N 418.544 2.672 10 50 HFCA CCN1C(=O)/C(=C/c2c(N3CCCC3)nc3c(C)cccn3c2=O)SC1=S 1084359 FIUBVGWQXFVHQA-KAMYIIQDSA-N 400.529 2.824 10 50 HFCA COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cccc(F)c2)C1=O 1164103 KLMNNJGGZATKFG-VGOFMYFVSA-N 416.430 2.683 10 50 HFCA CC1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)CC1 13773610 RXTDCHDINNUTLH-KAMYIIQDSA-N 400.529 2.762 10 50 HFCA CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C)C1=O 2376509 MVNCGWWBBMLHIC-SDNWHVSQSA-N 418.544 2.672 10 50 HFCA CN1C(=O)/C(=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c2ccccc21 1788192 ZACNBIUZPVXNBM-DZHJMQLISA-N 424.503 2.930 10 50 HFCA O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)ccc1O 1185090 NGGNTIJZPBOABX-MDWZMJQESA-N 405.179 2.960 10 50 HFCA CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCCn2ccnc2)cc1 13810357 GGTSRJJDPBAFFD-OQKWZONESA-N 417.513 2.927 10 50 HFCA COC(=O)C[C@H](c1cccnc1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O 253414646 YBSHRMXYOKPRBB-QGZVFWFLSA-N 424.453 2.606 10 50 HFCA biogenic CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1O 1175089 GSOLEQAVWYROFO-NTUHNPAUSA-N 402.790 2.816 10 50 HFCA Cc1ccc(S(=O)(=O)N2C(=O)/C(=C3\SC(=S)NC3=O)c3ccccc32)cc1 13496619 QNMKHHLSUSDJFU-PFONDFGASA-N 416.505 2.590 10 50 HFCA COc1cc(OC)c(OC)cc1/C=C1/C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 15659341 CWKVDWJNNBHLIA-DHDCSXOGSA-N 412.467 2.852 10 50 HFCA Cc1ccc(N2C(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C(=O)NC2=S)cc1 2049439551 LYPRZQFFNFKLBW-LJQANCHMSA-N 421.526 2.753 10 50 HFCA CC[C@H](C)N1C(=O)/C(=C/c2c(NCCOC)nc3ccccn3c2=O)SC1=S 3652467 KOPBXLFELLVUPP-PBBNAPBQSA-N 418.544 2.753 10 50 HFCA Cc1cccc(N2C(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C(=O)NC2=S)c1 2049298458 IHVQZUIHIRKOCA-LJQANCHMSA-N 421.526 2.753 10 50 HFCA COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)cc1OC 13615141 BICNMJGIQJPMGT-DHDCSXOGSA-N 401.469 2.645 10 50 HFCA CCOc1cccc(CN2CCC3(CC[C@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c1O 14879918 NVRDWFZHKXBRBK-UYAOXDASSA-N 418.534 2.600 10 50 HFCA COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1NC(C)=O 30419118 VHFNTXGLCIVMJN-UHFFFAOYSA-N 403.504 2.732 10 50 HFCA COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCSc1ccc(C)cc1 2829680 BRLRVDNBZCJBJB-UHFFFAOYSA-N 412.467 2.924 10 50 HFCA COc1ccc(N2CCN(c3c(NCc4ccccc4Cl)c(=O)c3=O)CC2)cc1 218207978 PUBRUWAHTVTEDD-UHFFFAOYSA-N 411.889 2.883 10 50 HFCA O=C(O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl 2049422716 AANMGHKAEAZDHL-UHFFFAOYSA-N 416.842 2.635 10 50 HFCA CCCN1C(=O)/C(=C/c2c(NCCCOC)nc3ccccn3c2=O)SC1=S 1856982 HXCDQNHAXOHLKE-OWBHPGMISA-N 418.544 2.754 10 50 HFCA COCCN1C(=O)/C(=C/c2ccc(O)c(I)c2)SC1=S 2953902 LAFWBOSVIGBNTR-XFFZJAGNSA-N 421.281 2.844 10 50 HFCA Cc1cc(C)nc(NN2C(=O)/C(=C/c3ccccc3OCC(=O)O)SC2=S)n1 16677392 OWTCEWVGCFZZAH-ZSOIEALJSA-N 416.484 2.785 10 50 HFCA CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cc(OC)ccc2O)CC1 12589006 WZNQRXCOYCJZEQ-FQEVSTJZSA-N 403.567 2.994 10 50 HFCA CC(C)CCN1CCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@H]1CCO 263592031 HBLBGFXVELHCLV-OAQYLSRUSA-N 403.567 2.799 10 50 HFCA CCc1ccccc1N1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)O)cc2)C(=O)NC1=S 2969443 VQQZXRCBQSOTIH-VLURKWGBSA-N 424.478 2.932 10 50 HFCA CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1cc(Br)ccc1O 1203593 NMYZNYMHIKVQDI-CQSZACIVSA-N 411.277 2.978 10 50 HFCA CN1CCN(N/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)CC1 5034153 JNFYFZAXIFVYMM-ICFOKQHNSA-N 418.526 2.683 10 50 HFCA Cc1ccccc1N1C(=O)/C(=C\NCCc2c[nH]c3ccccc23)C(=O)NC1=S 5887495 PYHULTIKUGWDSF-LGMDPLHJSA-N 404.495 2.940 10 50 HFCA O=C(c1cc(S(=O)(=O)Nc2ccc(O)cc2OC(F)(F)F)c[nH]1)N1CCCC1 170617699 AOUONPYZMZSZBD-UHFFFAOYSA-N 419.381 2.656 10 50 HFCA COc1ccc(N2CCN(C(=O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)CC2)cc1 1130253 NLJVSDAZKNHKTH-OAQYLSRUSA-N 421.497 2.665 10 50 HFCA O=C1NC(=O)C(=Cc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)C(=O)N1 1216116 HYIOKFIYPXHLBX-UHFFFAOYSA-N 405.193 2.962 10 50 HFCA CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 13427375 YGJFUMQJAMMBDO-GVIGZQTCSA-N 416.528 2.507 10 50 HFCA O=C(CS(=O)(=O)O)Nc1c(Cl)cc(Cl)c2c1C(=O)c1ccccc1C2=O 25560049 OVMHWOBEXAIUFJ-UHFFFAOYSA-N 414.222 2.595 10 50 HFCA O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Br)cc1 1185316 QVRKGWGFEUGDEP-NTUHNPAUSA-N 415.199 2.844 10 50 HFCA COCCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1772500851 MVSBQKNWMPEPDD-HSZRJFAPSA-N 418.497 2.551 10 50 HFCA CCN1C(=O)/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC1=S 1242038 QTRBJYBPJZBYAY-GVIGZQTCSA-N 416.528 2.507 10 50 HFCA Cc1cc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)ccc1Cl 5102419 LZQRUUGCGJOKHU-UHFFFAOYSA-N 400.818 2.856 10 50 HFCA CCOc1ccccc1CN1CCN(Cc2ccc(OC)cc2O)C[C@H]1CCO 104529126 BMTIUXBXPVRKNW-HXUWFJFHSA-N 400.519 2.868 10 50 HFCA COc1cc(CN/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1 2892770 MKTQURYAAZWQNU-PTNGSMBKSA-N 415.833 2.614 10 50 HFCA COc1ccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc1 16671299 UUAPKQDNABVPNH-GDNBJRDFSA-N 420.206 2.761 10 50 HFCA Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 5120019 IHKLTCCQDHGJHL-UHFFFAOYSA-N 415.833 2.880 10 50 HFCA Nc1ccc(-n2nc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2-c2ccco2)cc1 2325899605 NMHGYCVPCCEZIY-UHFFFAOYSA-N 423.454 2.614 10 50 HFCA CCc1noc(C)c1C(=O)N1CCC[C@@H](N2CCN(c3ccc(OC)cc3)CC2)C1 67841351 DKIQJXMVZVADDS-LJQANCHMSA-N 412.534 2.981 10 50 HFCA CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NCc1ccc(S(N)(=O)=O)cc1 5509205 GCURYVYWVLUKOJ-AQTBWJFISA-N 416.478 2.650 10 50 HFCA CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccc(C)cc1C 15800472 AKZJJSSMFOLFGK-UHFFFAOYSA-N 424.453 2.909 10 50 HFCA CCN1C(=O)/C(=C\c2c(N3CCCC3)nc3c(C)cccn3c2=O)SC1=S 5524205 FIUBVGWQXFVHQA-SDNWHVSQSA-N 400.529 2.824 10 50 HFCA COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCOCC3)C2=O)cc1 15987853 ZIAHXKLKISABMM-SSZFMOIBSA-N 406.529 2.535 10 50 HFCA Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)n1C1CC1 1163127 DNGCWRYAAKLUAZ-RQZCQDPDSA-N 407.426 2.831 10 50 HFCA COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)O 9310301 OVOFRFALMAJGSL-BJMVGYQFSA-N 418.290 2.752 10 50 HFCA COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(OC)c1 1197537 OMBJIUVRHKLUIK-LFIBNONCSA-N 412.467 2.852 10 50 HFCA COC(=O)C1=C(C(=O)OC)C2(O[C@H]1c1ccccc1C)C(=O)c1ccccc1C2=O 4145090 SHZLIYLKFPWZHZ-SFHVURJKSA-N 406.390 2.527 10 50 HFCA CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 72437867 NWAQFAOLADTIEQ-PKOBYXMFSA-N 407.580 2.772 10 50 HFCA CCN(CC)c1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 2281883 GNJFJQCABOOTGA-KFXIKWRMSA-N 410.586 2.921 10 50 HFCA COc1ccc(-n2c(C)cc(C(=O)NC3CCC(NS(C)(=O)=O)CC3)c2C)cc1 1875260333 HOLRVLCIGMOCNY-UHFFFAOYSA-N 419.547 2.693 10 50 HFCA COc1ccc(N2CCN(c3c(NCc4cccc(Cl)c4)c(=O)c3=O)CC2)cc1 218363558 GVCMIQOPIHMTAN-UHFFFAOYSA-N 411.889 2.883 10 50 HFCA COc1ccc(O)c(CN[C@H]2CC[C@@H](n3cc(C(=O)NCC(C)C)nn3)CC2)c1 244794706 QRYIBRLINJTWJG-CALCHBBNSA-N 401.511 2.652 10 50 HFCA CN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 22135418 OKJIIXNCCUXFRS-XFFZJAGNSA-N 420.175 2.709 10 50 HFCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(OC)c1OC 15799792 UQTZQPITSMNIEQ-ZRDIBKRKSA-N 416.430 2.683 10 50 HFCA O=C1NC(=S)NC(=O)C1=Cc1cn(CCOc2ccc(F)cc2)c2ccccc12 1151800 HMPORCWUNHGKEP-UHFFFAOYSA-N 409.442 2.774 10 50 HFCA CC(=O)Nc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 5764273 DTNKQBOAIYFLCU-JTQLQIEISA-N 407.517 2.731 10 50 HFCA COc1ccc(OC)c(N/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 17086460 LNJBSXVDMSFRFX-BENRWUELSA-N 401.806 2.936 10 50 HFCA O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccc(N2CCOCC2)cc1 10113379 PWQCSFKGSZWMCW-UHFFFAOYSA-N 401.466 2.953 10 50 HFCA O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ncc[nH]1 888104801 NOGOAUIVPIZTSF-UHFFFAOYSA-N 410.437 2.936 10 50 HFCA O=C1NC(=O)C(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C(=O)N1 1177683 VSJKFFCLZXCQNU-UHFFFAOYSA-N 419.206 2.917 10 50 HFCA Cc1cccc(N2C(=O)C(=CNN3CCCC[C@H]3c3cccnc3)C(=O)NC2=S)c1 2049298457 IHVQZUIHIRKOCA-IBGZPJMESA-N 421.526 2.753 10 50 HFCA CN1CCCc2cc(CNC(=O)c3ccc(CN4C[C@H]5CC[C@H]4C5)[nH]c3=O)ccc21 104327948 NFJZSRLIHLWNDK-PXNSSMCTSA-N 406.530 2.672 10 50 HFCA COc1ccc(Nc2nc(OC)nc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1175099 QJXKMQJHJNWCSU-UHFFFAOYSA-N 422.489 2.968 10 50 HFCA C[C@@H](NC(=O)c1c[nH]nc1-c1cccnc1)c1ccc(N2CCN(C)CC2)c(F)c1 1875256495 VVMIAHCJZTVGBU-OAHLLOKOSA-N 408.481 2.854 10 50 HFCA CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)c1 977436 CVNBOTNDDFGLSB-UHFFFAOYSA-N 409.442 2.705 10 50 HFCA COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N=C2O)c1C 1161738 DHGKDNOMQYBIEN-UHFFFAOYSA-N 400.416 2.766 10 50 HFCA CN1C(=O)C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N(C)C1=S 1185909 LDIZICDPXGEELU-UHFFFAOYSA-N 411.439 2.773 10 50 HFCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 1206674 GQCZPONYLGUDHZ-QGOAFFKASA-N 411.845 2.843 10 50 HFCA CN(C)c1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3CCCN3CCCC3=O)C2)cc1 14993272 QIBRZKNFSIVRBN-IRLDBZIGSA-N 412.578 2.578 10 50 HFCA CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)cc3)C2=O)c1 2305059 SKSTVFWOEDQNMA-FHXOWUIVSA-N 424.409 2.604 10 50 HFCA COc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1Cl 67602168 SKBNNZYNMCYNPC-UHFFFAOYSA-N 409.939 2.579 10 50 HFCA COc1cccc(CN[C@H]2CC[C@@H](n3cc(C(=O)NCC(C)C)nn3)CC2)c1O 244724626 MXOYNZVJYZBOOA-CALCHBBNSA-N 401.511 2.652 10 50 HFCA COc1ccc(OCCOc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)cc1 2977117 ZEAIHYOEMZRROG-UHFFFAOYSA-N 410.426 2.587 10 50 HFCA Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1 12796902 CLZUNKWEZPFZNZ-UVTDQMKNSA-N 400.529 2.824 10 50 HFCA CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)o1 15799736 PQUWTLKTCRGHCP-UKTHLTGXSA-N 404.220 2.775 10 50 HFCA O=C1NC(=O)C(=Cc2cc(Br)ccc2OCc2cccc(F)c2)C(=O)N1 1175053 CALXGNQGOWJWKA-UHFFFAOYSA-N 419.206 2.917 10 50 HFCA COc1ccc(N2CCN(C(=O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)cc1 13721801 DPLUDAONOMRSIQ-UHFFFAOYSA-N 406.486 2.645 10 50 HFCA CCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 1166438 OXUFRRPSUGLALZ-OWBHPGMISA-N 400.529 2.906 10 50 HFCA CCOc1ccc2[nH]c(=O)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)cc2c1 12377927 CSXKXKFNUXVVBA-ZROIWOOFSA-N 404.469 2.603 10 50 HFCA Cc1ccc(N2C(=O)CN(c3ccc(OC(C)C)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 1875265421 LQHWYZHMYKQYLD-NHCUHLMSSA-N 414.527 2.801 10 50 HFCA CCOc1cccc(CN2CCCC[C@@H]2CCn2cc(C(=O)NC(C)C)nn2)c1O 12183236 QJRCWCPNVJUDKC-GOSISDBHSA-N 415.538 2.965 10 50 HFCA CCOc1ccc(CN2CCN(Cc3cccc(OC)c3O)C[C@H]2CCO)cc1 104497027 HMOSTZUVQPYMHZ-HXUWFJFHSA-N 400.519 2.868 10 50 HFCA O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)s1 10113384 CJDWHEDZNGAGDQ-UHFFFAOYSA-N 417.350 2.826 10 50 HFCA COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OCc1ccccc1Cl 979553 SYBGHCDENRDNDO-UHFFFAOYSA-N 402.859 2.842 10 50 HFCA CCOc1cccc(CN2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)c1O 12122151 URSPQZHHHNHCCC-SFHVURJKSA-N 413.522 2.846 10 50 HFCA O=C1NC(=O)C(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)C(=O)N1 1063116 ZPDXPMCOQLKMNC-UHFFFAOYSA-N 419.206 2.917 10 50 HFCA Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2982280 FBLVKSVBGQBYOO-VGOFMYFVSA-N 402.453 2.979 10 50 HFCA CCOC(=O)C1=CNN2C=C(N[C@@H](c3ccccc3)c3cc(F)ccc3O)C=N[C@H]12 261508654 VNIYVTDKQUJFKM-SFTDATJTSA-N 408.433 2.729 10 50 HFCA COc1ccc(-c2nn(CCC(=O)O)cc2/C=C2\SC(=S)NC2=O)cc1OC 3270896 OCZICCNVLSHYGF-ZSOIEALJSA-N 419.484 2.531 10 50 HFCA CCOc1cccc(CN2CCC[C@H](Cn3cc(C(=O)N(CC)CC)nn3)C2)c1O 14959673 OYHCABSNSIQLIJ-KRWDZBQOSA-N 415.538 2.777 10 50 HFCA C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc2)C1 226910838 AGRVXJMTWJFGAI-LMMKCTJWSA-N 407.580 2.772 10 50 HFCA O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 2833548 AXSUKNBLVQJULF-OQLLNIDSSA-N 423.400 2.821 10 50 HFCA CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccc(C)cc1 2992724 BRDVRBFADRFJCO-UHFFFAOYSA-N 410.426 2.601 10 50 HFCA COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NC2=NCCS2)C1=O 12729968 MTLMEICVGIIZKR-RAXLEYEMSA-N 407.542 2.506 10 50 HFCA aggregator